#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xr4 n LYS 2 N 0.00 0.00 0.01 0.00 5.02 -1.26 -4.86 118.16 117.07 1xr4 n LYS 2 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1xr4 n LYS 2 Cb 0.00 -0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.96 1xr4 n LYS 2 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1xr4 h GLU 3 N 0.00 -0.09 0.01 1.97 3.07 -2.05 -2.84 114.58 114.65 1xr4 h GLU 3 Ca 0.00 0.01 -0.20 0.00 -0.50 0.00 0.00 59.36 58.67 1xr4 h GLU 3 Cb 0.00 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1xr4 h GLU 3 CO 0.00 -0.06 -0.90 0.00 -1.40 0.00 0.00 179.01 176.65 1xr4 h THR 4 N -0.10 1.54 -0.80 1.13 1.03 -2.06 -3.09 112.91 110.57 1xr4 h THR 4 Ca 0.06 -2.78 -0.02 0.00 -0.01 0.00 0.00 66.41 63.67 1xr4 h THR 4 Cb 0.19 2.55 -0.04 0.00 -1.07 0.00 0.00 68.15 69.78 1xr4 h THR 4 CO -0.15 0.80 0.42 0.58 -0.01 0.00 0.00 175.52 177.17 1xr4 h VAL 5 N 0.07 1.24 0.00 0.00 2.07 -1.95 -1.42 116.25 116.26 1xr4 h VAL 5 Ca -0.04 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1xr4 h VAL 5 Cb 1.55 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1xr4 h VAL 5 CO 0.13 0.27 0.00 0.41 0.02 0.00 0.00 177.57 178.40 1xr4 n THR 6 N -4.34 0.00 0.00 2.57 -1.04 -1.08 -1.42 114.28 108.98 1xr4 n THR 6 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1xr4 n THR 6 Cb 0.11 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 1xr4 n THR 6 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xr4 n LEU 8 N 0.38 0.00 0.25 -4.42 4.77 -0.54 -2.34 117.00 115.10 1xr4 n LEU 8 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1xr4 n LEU 8 Cb 0.00 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 41.75 1xr4 n LEU 8 CO 0.00 0.00 0.97 0.78 -1.33 0.00 0.00 177.39 177.81 1xr4 h ASN 9 N 0.00 0.00 0.04 -1.43 2.35 -1.52 -2.52 115.58 112.50 1xr4 h ASN 9 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 1xr4 h ASN 9 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1xr4 h ASN 9 CO 0.00 0.13 -2.23 0.00 -1.65 0.00 0.00 177.43 173.68 1xr4 n GLN 10 N -3.98 0.68 -0.00 0.81 6.02 -0.99 -4.62 117.38 115.29 1xr4 n GLN 10 Ca -0.02 -0.04 0.03 0.00 -0.01 0.00 0.00 57.00 56.96 1xr4 n GLN 10 Cb 0.21 -1.54 -0.04 0.00 1.02 0.00 0.00 30.24 29.90 1xr4 n GLN 10 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1xr4 n GLN 11 N -2.63 4.80 -4.39 -1.09 6.02 -1.22 -5.04 117.38 113.83 1xr4 n GLN 11 Ca -0.24 -0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.56 1xr4 n GLN 11 Cb 0.99 -0.81 -0.10 0.00 1.02 0.00 0.00 30.24 31.33 1xr4 n GLN 11 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1xr4 s TYR 12 N -1.62 1.78 -0.53 1.08 1.51 -0.95 -5.06 117.35 113.55 1xr4 s TYR 12 Ca 0.02 -1.01 -0.18 0.00 -1.01 0.00 0.00 57.07 54.89 1xr4 s TYR 12 Cb 0.05 -1.11 0.08 0.00 -0.11 0.00 0.00 41.96 40.87 1xr4 s TYR 12 CO 0.27 -0.09 0.61 0.08 -1.11 0.00 0.00 175.55 175.31 1xr4 s VAL 13 N -3.44 4.93 0.14 0.71 1.01 -1.26 -4.77 120.40 117.72 1xr4 s VAL 13 Ca 0.35 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1xr4 s VAL 13 Cb 0.08 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1xr4 s VAL 13 CO 0.14 -0.89 -0.11 0.68 0.00 0.00 0.00 175.10 174.92 1xr4 s VAL 14 N 2.45 1.22 0.85 2.92 -7.23 -1.26 -5.15 120.40 114.20 1xr4 s VAL 14 Ca 0.12 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.16 1xr4 s VAL 14 Cb -0.22 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 1xr4 s VAL 14 CO 0.09 -0.66 0.28 -2.65 -0.31 0.00 0.00 175.10 171.84 1xr4 n PRO 15 N -0.03 -0.01 -3.36 4.82 -0.02 -1.26 -4.98 135.00 130.17 1xr4 n PRO 15 Ca -0.11 0.04 -0.33 0.00 -2.02 0.00 0.00 63.50 61.07 1xr4 n PRO 15 Cb 0.60 -1.70 -0.06 0.00 -0.02 0.00 0.00 33.50 32.32 1xr4 n PRO 15 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1xr4 s GLU 16 N -2.98 3.89 0.00 -0.52 -1.05 -1.26 -4.36 118.70 112.42 1xr4 s GLU 16 Ca 0.58 0.39 0.00 0.00 -0.15 0.00 0.00 54.97 55.79 1xr4 s GLU 16 Cb -0.27 -2.72 0.00 0.00 -0.44 0.00 0.00 34.13 30.70 1xr4 s GLU 16 CO 0.66 0.35 0.00 0.41 0.95 0.00 0.00 175.26 177.63 1xr4 n GLY 17 N 0.16 0.42 3.68 -3.83 0.00 -1.26 -4.99 105.19 99.37 1xr4 n GLY 17 Ca -0.01 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1xr4 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xr4 s LEU 18 N 0.00 4.32 0.13 0.99 1.43 -1.26 -5.01 118.68 119.28 1xr4 s LEU 18 Ca 0.00 2.20 0.07 0.00 -1.03 0.00 0.00 54.13 55.37 1xr4 s LEU 18 Cb 0.00 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1xr4 s LEU 18 CO 0.00 -0.80 -0.08 -1.10 0.23 0.00 0.00 176.35 174.60 1xr4 s GLN 19 N 2.83 2.18 0.32 1.70 -0.21 -1.26 -4.96 119.66 120.25 1xr4 s GLN 19 Ca 0.67 -1.07 -0.23 0.00 0.02 0.00 0.00 55.36 54.75 1xr4 s GLN 19 Cb -0.33 -2.30 -0.10 0.00 1.00 0.00 0.00 33.01 31.28 1xr4 s GLN 19 CO 0.28 0.49 0.88 -1.25 -2.12 0.00 0.00 175.29 173.56 1xr4 s PRO 20 N -2.45 4.39 0.16 2.91 0.04 -1.26 -5.01 135.00 133.79 1xr4 s PRO 20 Ca 0.23 1.13 -0.32 0.00 0.04 0.00 0.00 61.00 62.07 1xr4 s PRO 20 Cb -0.10 -2.68 -0.17 0.00 0.04 0.00 0.00 34.50 31.60 1xr4 s PRO 20 CO 0.15 0.24 0.98 0.98 0.04 0.00 0.00 177.00 179.39 1xr4 n TYR 21 N 0.30 0.75 -2.74 0.56 9.36 -1.26 -4.96 117.16 119.16 1xr4 n TYR 21 Ca 0.02 0.82 -0.04 0.00 3.32 0.00 0.00 57.90 62.02 1xr4 n TYR 21 Cb 0.51 -2.17 0.06 0.00 -0.63 0.00 0.00 39.34 37.11 1xr4 n TYR 21 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1xr4 n GLN 22 N 1.42 1.43 0.00 2.98 10.64 -1.26 -5.00 117.38 127.59 1xr4 n GLN 22 Ca 0.16 -3.04 0.00 0.00 -1.83 0.00 0.00 57.00 52.29 1xr4 n GLN 22 Cb 0.23 -1.14 0.00 0.00 -0.86 0.00 0.00 30.24 28.47 1xr4 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xr4 n GLY 23 N -0.49 2.93 0.20 2.61 0.00 -1.26 -4.55 105.19 104.63 1xr4 n GLY 23 Ca 0.04 -1.73 0.02 0.00 0.00 0.00 0.00 46.02 44.35 1xr4 n GLY 23 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xr4 h VAL 24 N 0.00 1.23 -0.12 1.61 2.07 -2.00 -3.17 116.25 115.87 1xr4 h VAL 24 Ca 0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1xr4 h VAL 24 Cb 0.00 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1xr4 h VAL 24 CO 0.00 0.32 0.00 0.35 0.02 0.00 0.00 177.57 178.26 1xr4 n THR 25 N -4.16 0.53 -0.32 2.57 -2.24 -1.26 -4.52 114.28 104.88 1xr4 n THR 25 Ca -0.02 -0.77 -0.01 0.00 -2.27 0.00 0.00 64.05 60.99 1xr4 n THR 25 Cb 0.36 0.80 0.05 0.00 -2.10 0.00 0.00 70.33 69.44 1xr4 n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xr4 h ALA 26 N 1.32 0.20 -0.45 6.98 0.00 -1.79 -2.23 119.26 123.29 1xr4 h ALA 26 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1xr4 h ALA 26 Cb 0.48 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1xr4 h ALA 26 CO 0.00 -0.59 0.00 0.09 0.00 0.00 0.00 179.25 178.75 1xr4 n ASN 27 N -5.48 3.28 -3.19 0.00 5.03 -1.26 -4.64 115.26 109.00 1xr4 n ASN 27 Ca 0.09 -2.05 -0.22 0.00 0.87 0.00 0.00 54.58 53.27 1xr4 n ASN 27 Cb 0.40 -0.32 -0.06 0.00 -1.02 0.00 0.00 39.78 38.78 1xr4 n ASN 27 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1xr4 n SER 28 N 0.79 0.38 0.10 6.41 7.64 -0.86 -5.00 113.62 123.08 1xr4 n SER 28 Ca 0.16 -2.79 0.09 0.00 1.01 0.00 0.00 58.87 57.33 1xr4 n SER 28 Cb 0.51 -0.63 0.57 0.00 -1.01 0.00 0.00 64.21 63.65 1xr4 n SER 28 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1xr4 h PRO 29 N 3.68 0.20 0.00 1.43 0.11 -1.77 -1.95 132.00 133.70 1xr4 h PRO 29 Ca 0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1xr4 h PRO 29 Cb 0.91 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1xr4 h PRO 29 CO 0.47 0.13 0.04 0.11 -0.21 0.00 0.00 178.00 178.54 1xr4 h TRP 30 N 0.21 0.00 0.00 0.65 0.09 -1.94 -1.52 115.95 113.44 1xr4 h TRP 30 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.10 1xr4 h TRP 30 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.45 1xr4 h TRP 30 CO -0.00 0.00 0.00 1.28 0.09 0.00 0.00 178.44 179.81 1xr4 n LEU 31 N -3.01 0.51 0.00 0.11 4.77 -0.73 -2.61 117.00 116.03 1xr4 n LEU 31 Ca -0.03 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 1xr4 n LEU 31 Cb 0.10 -0.54 0.56 0.00 -2.33 0.00 0.00 43.42 41.22 1xr4 n LEU 31 CO 0.19 -0.45 0.88 0.00 -1.33 0.00 0.00 177.39 176.68 1xr4 n ALA 32 N -1.70 2.16 -3.78 -1.18 0.00 -0.57 -4.62 120.51 110.82 1xr4 n ALA 32 Ca 0.03 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1xr4 n ALA 32 Cb 0.23 -1.38 -0.17 0.00 0.00 0.00 0.00 19.45 18.13 1xr4 n ALA 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xr4 s SER 33 N -2.68 1.71 0.39 0.00 0.15 -1.07 -5.03 113.70 107.16 1xr4 s SER 33 Ca 0.19 -0.15 0.19 0.00 0.70 0.00 0.00 55.95 56.89 1xr4 s SER 33 Cb 0.16 -0.47 0.75 0.00 -1.71 0.00 0.00 66.02 64.74 1xr4 s SER 33 CO 0.37 -0.20 1.77 1.05 1.20 0.00 0.00 173.24 177.43 1xr4 h GLU 34 N 8.31 0.00 -0.16 5.44 4.11 -1.82 -2.49 114.58 127.97 1xr4 h GLU 34 Ca -0.20 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.03 1xr4 h GLU 34 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1xr4 h GLU 34 CO 0.27 0.35 -0.71 0.00 0.07 0.00 0.00 179.01 178.99 1xr4 h THR 35 N 0.00 1.31 -0.30 -1.06 1.03 -1.96 -3.35 112.91 108.58 1xr4 h THR 35 Ca -0.00 -1.96 -0.11 0.00 -0.01 0.00 0.00 66.41 64.33 1xr4 h THR 35 Cb 0.84 1.94 -0.01 0.00 -1.07 0.00 0.00 68.15 69.85 1xr4 h THR 35 CO 0.05 0.61 -0.24 -0.08 -0.01 0.00 0.00 175.52 175.85 1xr4 h GLU 36 N 0.48 0.70 0.00 0.00 4.81 -1.76 -2.49 114.58 116.31 1xr4 h GLU 36 Ca -0.03 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1xr4 h GLU 36 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1xr4 h GLU 36 CO 0.14 0.96 0.03 1.57 -0.73 0.00 0.00 179.01 180.97 1xr4 h LYS 37 N 0.45 0.00 0.00 1.92 2.10 -1.39 0.29 116.57 119.93 1xr4 h LYS 37 Ca 0.06 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.63 1xr4 h LYS 37 Cb 0.80 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1xr4 h LYS 37 CO 0.06 0.00 -1.75 0.54 -2.00 0.00 0.00 179.45 176.31 1xr4 n ARG 38 N -2.63 0.65 0.00 0.07 3.00 -1.14 -4.75 116.66 111.86 1xr4 n ARG 38 Ca -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 57.85 57.78 1xr4 n ARG 38 Cb 0.07 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 30.90 1xr4 n ARG 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1xr4 n ARG 39 N -2.52 0.03 -0.40 5.56 1.74 -0.45 -4.63 116.66 115.99 1xr4 n ARG 39 Ca -0.08 -0.32 0.36 0.00 -0.77 0.00 0.00 57.85 57.04 1xr4 n ARG 39 Cb 0.69 -0.80 0.70 0.00 -1.02 0.00 0.00 32.46 32.02 1xr4 n ARG 39 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1xr4 h ARG 40 N 0.00 0.09 0.00 5.56 0.11 -0.74 -2.37 114.38 117.04 1xr4 h ARG 40 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1xr4 h ARG 40 Cb 0.12 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1xr4 h ARG 40 CO 0.00 0.06 -0.34 0.87 0.10 0.00 0.00 179.97 180.66 1xr4 h LYS 41 N 0.10 0.00 -6.60 0.08 1.57 -1.85 -3.47 116.57 106.41 1xr4 h LYS 41 Ca 0.67 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.93 1xr4 h LYS 41 Cb 2.40 0.00 0.03 0.00 0.08 0.00 0.00 32.23 34.74 1xr4 h LYS 41 CO -0.14 0.00 0.73 0.42 -0.57 0.00 0.00 179.45 179.89 1xr4 s ILE 42 N -3.25 3.14 -0.05 1.86 1.01 -0.89 -0.97 121.20 122.05 1xr4 s ILE 42 Ca 0.05 0.85 0.05 0.00 0.00 0.00 0.00 60.65 61.60 1xr4 s ILE 42 Cb 0.07 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1xr4 s ILE 42 CO 0.70 0.09 -0.17 0.00 0.00 0.00 0.00 174.94 175.56 1xr4 n ASP 44 N 2.39 0.70 -3.88 0.00 8.00 -1.26 -4.44 116.55 118.06 1xr4 n ASP 44 Ca -0.17 0.29 -0.09 0.00 0.71 0.00 0.00 54.79 55.53 1xr4 n ASP 44 Cb 0.52 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 1xr4 n ASP 44 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1xr4 s SER 45 N -4.23 -0.13 0.27 -2.24 1.04 -1.26 -4.97 113.70 102.17 1xr4 s SER 45 Ca 0.08 -0.73 -0.03 0.00 0.48 0.00 0.00 55.95 55.75 1xr4 s SER 45 Cb 0.13 0.55 0.34 0.00 0.10 0.00 0.00 66.02 67.15 1xr4 s SER 45 CO 0.66 -1.06 1.84 0.25 0.98 0.00 0.00 173.24 175.91 1xr4 h LEU 46 N 2.29 0.90 -0.84 2.42 5.85 -1.92 -2.51 115.31 121.50 1xr4 h LEU 46 Ca -0.28 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.35 1xr4 h LEU 46 Cb 1.25 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 1xr4 h LEU 46 CO 0.39 0.81 0.53 -0.33 -0.34 0.00 0.00 178.44 179.49 1xr4 h GLU 47 N 0.96 0.98 -0.27 1.25 5.08 -1.98 -1.87 114.58 118.73 1xr4 h GLU 47 Ca 0.22 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1xr4 h GLU 47 Cb 0.20 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1xr4 h GLU 47 CO -0.02 0.65 0.05 1.49 -1.00 0.00 0.00 179.01 180.18 1xr4 h GLU 48 N 1.01 0.44 -0.60 2.33 4.81 -1.90 -0.52 114.58 120.15 1xr4 h GLU 48 Ca 0.34 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1xr4 h GLU 48 Cb 0.06 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1xr4 h GLU 48 CO -0.13 0.55 0.40 0.00 -0.73 0.00 0.00 179.01 179.09 1xr4 h ALA 49 N 0.87 1.67 -0.07 2.92 0.00 -1.25 0.30 119.26 123.71 1xr4 h ALA 49 Ca 0.08 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 1xr4 h ALA 49 Cb 0.32 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xr4 h ALA 49 CO 0.00 0.27 -0.88 0.82 0.00 0.00 0.00 179.25 179.47 1xr4 h ILE 50 N 0.72 1.31 0.76 0.00 2.04 -1.04 -1.38 117.51 119.92 1xr4 h ILE 50 Ca 0.24 -2.16 -0.03 0.00 1.00 0.00 0.00 64.86 63.90 1xr4 h ILE 50 Cb 0.06 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1xr4 h ILE 50 CO -0.06 0.67 -0.45 0.03 0.00 0.00 0.00 178.15 178.33 1xr4 h ARG 51 N 0.40 -1.09 -0.55 2.37 2.47 -0.61 -3.20 114.38 114.17 1xr4 h ARG 51 Ca -0.08 0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1xr4 h ARG 51 Cb 1.51 0.25 -0.03 0.00 -1.65 0.00 0.00 29.97 30.05 1xr4 h ARG 51 CO 0.17 -0.73 0.36 0.00 0.56 0.00 0.00 179.97 180.34 1xr4 h ARG 52 N -1.13 0.72 0.00 0.04 3.08 -1.01 -2.16 114.38 113.92 1xr4 h ARG 52 Ca -0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1xr4 h ARG 52 Cb 0.90 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1xr4 h ARG 52 CO 0.11 0.48 0.05 0.66 -1.07 0.00 0.00 179.97 180.19 1xr4 h SER 53 N 0.74 0.00 -1.39 7.04 4.64 -1.24 -3.46 113.55 119.89 1xr4 h SER 53 Ca 0.20 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.25 1xr4 h SER 53 Cb -0.08 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 61.95 1xr4 h SER 53 CO -0.04 0.00 -0.31 0.61 -0.87 0.00 0.00 176.83 176.22 1xr4 n GLY 54 N -1.25 0.51 3.74 -0.77 0.00 -0.81 -4.95 105.19 101.66 1xr4 n GLY 54 Ca -0.02 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1xr4 n GLY 54 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xr4 s LEU 55 N -3.56 4.42 0.33 0.99 2.96 -1.25 -5.04 118.68 117.52 1xr4 s LEU 55 Ca 0.00 2.38 0.08 0.00 -0.22 0.00 0.00 54.13 56.37 1xr4 s LEU 55 Cb 0.00 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.02 1xr4 s LEU 55 CO 0.00 -0.52 -0.05 -0.54 -1.32 0.00 0.00 176.35 173.92 1xr4 s LYS 56 N -0.11 1.74 0.46 1.98 -0.14 -1.26 -5.01 119.74 117.40 1xr4 s LYS 56 Ca 0.56 -1.91 -0.24 0.00 -1.36 0.00 0.00 55.97 53.02 1xr4 s LYS 56 Cb -0.36 -1.43 -0.08 0.00 -1.68 0.00 0.00 37.83 34.27 1xr4 s LYS 56 CO 0.38 0.04 1.28 0.09 -0.76 0.00 0.00 175.35 176.39 1xr4 n ASN 57 N -0.74 2.54 -0.82 2.83 3.02 -1.26 -4.90 115.26 115.93 1xr4 n ASN 57 Ca -0.05 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 1xr4 n ASN 57 Cb 0.64 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 1xr4 n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xr4 n GLY 58 N 0.81 0.59 2.86 7.41 0.00 -0.92 -4.98 105.19 110.96 1xr4 n GLY 58 Ca 0.07 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 1xr4 n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xr4 s THR 60 N -2.51 0.27 0.20 2.61 2.01 -1.26 -4.71 115.64 112.25 1xr4 s THR 60 Ca 0.00 -0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.09 1xr4 s THR 60 Cb 0.00 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 1xr4 s THR 60 CO 0.00 0.14 -0.21 0.27 -0.69 0.00 0.00 174.62 174.13 1xr4 s ILE 61 N 0.73 2.16 0.05 1.82 -4.36 -0.51 -1.14 121.20 119.94 1xr4 s ILE 61 Ca -0.08 -2.05 -0.02 0.00 -0.26 0.00 0.00 60.65 58.23 1xr4 s ILE 61 Cb -0.11 -2.05 -0.03 0.00 1.25 0.00 0.00 42.46 41.52 1xr4 s ILE 61 CO -0.01 -0.25 0.01 -0.94 0.24 0.00 0.00 174.94 174.00 1xr4 s SER 62 N -2.81 0.40 0.06 4.36 1.04 -0.74 -0.87 113.70 115.14 1xr4 s SER 62 Ca 0.20 -0.90 -0.15 0.00 0.48 0.00 0.00 55.95 55.59 1xr4 s SER 62 Cb -0.06 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.30 1xr4 s SER 62 CO 0.09 -0.60 0.34 -0.36 0.98 0.00 0.00 173.24 173.69 1xr4 s PHE 63 N -3.74 -0.15 0.37 5.02 0.40 -1.24 0.51 117.98 119.16 1xr4 s PHE 63 Ca 0.05 0.00 0.08 0.00 -0.60 0.00 0.00 56.93 56.46 1xr4 s PHE 63 Cb 0.06 0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.69 1xr4 s PHE 63 CO -0.10 -0.55 0.20 -3.38 0.70 0.00 0.00 175.22 172.10 1xr4 s HIS 64 N -2.75 2.69 -0.26 0.36 -3.43 -1.26 -2.55 115.29 108.08 1xr4 s HIS 64 Ca -0.04 -0.45 0.10 0.00 -0.80 0.00 0.00 55.06 53.87 1xr4 s HIS 64 Cb -0.00 -1.83 0.47 0.00 -1.43 0.00 0.00 32.58 29.79 1xr4 s HIS 64 CO -0.05 0.21 1.37 -2.39 -2.00 0.00 0.00 174.74 171.88 1xr4 n HIS 65 N -1.26 0.66 0.58 0.38 1.44 -1.26 -4.75 115.22 111.01 1xr4 n HIS 65 Ca -0.01 -1.57 0.11 0.00 -2.01 0.00 0.00 57.72 54.23 1xr4 n HIS 65 Cb 0.62 -0.40 0.43 0.00 0.12 0.00 0.00 29.99 30.77 1xr4 n HIS 65 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xr4 n ALA 66 N -1.13 1.87 0.86 1.59 0.00 -1.26 -2.12 120.51 120.33 1xr4 n ALA 66 Ca 0.28 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.79 1xr4 n ALA 66 Cb 0.90 -1.36 0.26 0.00 0.00 0.00 0.00 19.45 19.25 1xr4 n ALA 66 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xr4 n PHE 67 N -1.82 0.42 -2.14 0.00 3.01 -1.26 -4.85 117.46 110.82 1xr4 n PHE 67 Ca 0.04 -0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1xr4 n PHE 67 Cb 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 1xr4 n PHE 67 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1xr4 n ARG 68 N 0.62 0.00 0.24 -1.08 1.74 -0.90 -1.70 116.66 115.59 1xr4 n ARG 68 Ca 0.15 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.40 1xr4 n ARG 68 Cb 0.36 0.00 0.78 0.00 -1.02 0.00 0.00 32.46 32.58 1xr4 n ARG 68 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1xr4 h GLY 69 N 0.00 0.00 -1.07 -0.13 0.00 -1.95 -2.84 103.07 97.07 1xr4 h GLY 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xr4 h GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1xr4 n GLY 70 N -0.56 0.52 3.60 4.60 0.00 -0.69 -4.74 105.19 107.92 1xr4 n GLY 70 Ca -0.01 -0.47 -0.46 0.00 0.00 0.00 0.00 46.02 45.09 1xr4 n GLY 70 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xr4 n ASP 71 N 0.52 1.46 0.00 1.61 2.03 -1.08 -2.90 116.55 118.19 1xr4 n ASP 71 Ca 0.16 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.64 1xr4 n ASP 71 Cb 0.38 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 1xr4 n ASP 71 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xr4 n LYS 72 N 1.08 4.01 0.02 -0.67 5.02 -0.62 -4.87 118.16 122.13 1xr4 n LYS 72 Ca 0.11 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 1xr4 n LYS 72 Cb 0.30 -0.39 -0.09 0.00 -0.02 0.00 0.00 35.03 34.83 1xr4 n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xr4 h VAL 73 N 0.00 1.17 -0.10 -0.18 2.07 -1.86 -3.30 116.25 114.04 1xr4 h VAL 73 Ca 0.00 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.36 1xr4 h VAL 73 Cb 0.00 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1xr4 h VAL 73 CO 0.00 0.28 -0.20 0.58 0.02 0.00 0.00 177.57 178.26 1xr4 h VAL 74 N -0.70 0.51 0.00 2.57 2.07 -1.93 0.40 116.25 119.17 1xr4 h VAL 74 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1xr4 h VAL 74 Cb 0.55 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1xr4 h VAL 74 CO 0.02 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.20 1xr4 n ASN 75 N -5.33 0.08 -0.26 0.57 3.02 -1.24 -4.53 115.26 107.56 1xr4 n ASN 75 Ca -0.03 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1xr4 n ASN 75 Cb 0.25 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1xr4 n ASN 75 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1xr4 n VAL 77 N 0.61 0.00 0.00 2.41 0.31 0.13 -4.62 118.33 117.16 1xr4 n VAL 77 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xr4 n VAL 77 Cb 0.02 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1xr4 n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xr4 n ALA 79 N 0.00 0.00 -0.30 3.52 0.00 -1.26 -1.07 120.51 121.40 1xr4 n ALA 79 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1xr4 n ALA 79 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1xr4 n ALA 79 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xr4 h LYS 80 N 0.00 0.98 -0.36 0.00 1.79 -1.96 -1.49 116.57 115.54 1xr4 h LYS 80 Ca 0.00 -0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.29 1xr4 h LYS 80 Cb 0.00 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.42 1xr4 h LYS 80 CO 0.00 0.65 -0.26 -0.07 -1.08 0.00 0.00 179.45 178.69 1xr4 h LEU 81 N 1.01 0.74 -0.20 2.94 3.38 -1.50 -3.15 115.31 118.53 1xr4 h LEU 81 Ca 0.33 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1xr4 h LEU 81 Cb 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1xr4 h LEU 81 CO -0.12 0.97 -0.35 0.00 0.09 0.00 0.00 178.44 179.03 1xr4 h ALA 82 N 1.09 0.31 0.00 1.53 0.00 -1.79 -1.78 119.26 118.61 1xr4 h ALA 82 Ca 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xr4 h ALA 82 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1xr4 h ALA 82 CO 0.06 0.36 0.00 -1.91 0.00 0.00 0.00 179.25 177.77 1xr4 n GLU 83 N -4.30 0.10 -0.98 0.00 0.00 -0.57 -4.45 120.64 110.43 1xr4 n GLU 83 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.05 1xr4 n GLU 83 Cb 0.50 -1.45 -0.06 0.00 0.00 0.00 0.00 31.44 30.44 1xr4 n GLU 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xr4 n GLY 85 N 0.99 0.59 3.76 8.31 0.00 -0.84 -5.09 105.19 112.91 1xr4 n GLY 85 Ca 0.00 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1xr4 n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xr4 s PHE 86 N 0.00 3.51 0.13 1.61 0.08 -0.73 -5.05 117.98 117.53 1xr4 s PHE 86 Ca 0.02 1.70 0.06 0.00 0.12 0.00 0.00 56.93 58.83 1xr4 s PHE 86 Cb 0.03 -3.22 -0.04 0.00 -0.57 0.00 0.00 43.02 39.21 1xr4 s PHE 86 CO -0.01 -0.52 -0.13 1.03 -0.10 0.00 0.00 175.22 175.48 1xr4 s ARG 87 N -1.74 1.06 -1.93 0.44 1.81 -1.26 -4.31 118.95 113.02 1xr4 s ARG 87 Ca 0.48 -1.31 0.00 0.00 -1.72 0.00 0.00 55.73 53.18 1xr4 s ARG 87 Cb -0.29 -0.87 0.00 0.00 -0.45 0.00 0.00 34.95 33.34 1xr4 s ARG 87 CO 0.37 0.16 0.00 -0.25 -0.68 0.00 0.00 175.30 174.89 1xr4 n ASP 88 N 0.31 -5.70 -4.78 0.23 10.43 -0.82 -2.17 116.55 114.05 1xr4 n ASP 88 Ca -0.14 0.19 -0.35 0.00 2.57 0.00 0.00 54.79 57.06 1xr4 n ASP 88 Cb 0.58 -4.83 -0.01 0.00 1.84 0.00 0.00 41.12 38.71 1xr4 n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1xr4 s LEU 89 N -5.42 3.80 -0.14 0.64 1.43 -0.94 -3.36 118.68 114.69 1xr4 s LEU 89 Ca 0.00 2.14 -0.16 0.00 -1.03 0.00 0.00 54.13 55.08 1xr4 s LEU 89 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1xr4 s LEU 89 CO 0.00 -1.10 0.37 -0.89 0.23 0.00 0.00 176.35 174.96 1xr4 s THR 90 N -1.79 5.26 -0.27 5.49 2.01 -1.26 -0.83 115.64 124.25 1xr4 s THR 90 Ca 0.71 0.72 -0.12 0.00 0.31 0.00 0.00 61.69 63.31 1xr4 s THR 90 Cb -0.23 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1xr4 s THR 90 CO 0.26 0.36 0.21 -0.22 -0.69 0.00 0.00 174.62 174.54 1xr4 s LEU 91 N 0.56 4.05 -0.49 4.42 2.96 0.34 -1.43 118.68 129.08 1xr4 s LEU 91 Ca 0.20 0.07 0.08 0.00 -0.22 0.00 0.00 54.13 54.26 1xr4 s LEU 91 Cb -0.14 -2.17 0.34 0.00 0.50 0.00 0.00 46.19 44.73 1xr4 s LEU 91 CO 0.07 -0.04 0.86 0.00 -1.32 0.00 0.00 176.35 175.91 1xr4 n ALA 92 N 4.90 3.58 -1.80 5.97 0.00 -0.05 -0.76 120.51 132.35 1xr4 n ALA 92 Ca -0.13 -4.17 -0.34 0.00 0.00 0.00 0.00 53.44 48.79 1xr4 n ALA 92 Cb 0.52 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 1xr4 n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xr4 s SER 93 N -3.04 6.85 0.40 0.00 0.15 -1.24 -3.70 113.70 113.12 1xr4 s SER 93 Ca 0.45 1.82 0.21 0.00 0.70 0.00 0.00 55.95 59.14 1xr4 s SER 93 Cb 0.31 -2.56 0.68 0.00 -1.71 0.00 0.00 66.02 62.74 1xr4 s SER 93 CO -0.11 -0.42 1.72 0.77 1.20 0.00 0.00 173.24 176.39 1xr4 h SER 94 N 2.14 0.00 -3.71 5.45 4.64 -1.78 -3.39 113.55 116.91 1xr4 h SER 94 Ca -0.49 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1xr4 h SER 94 Cb 1.20 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.05 1xr4 h SER 94 CO 0.61 0.29 0.29 -0.55 -0.87 0.00 0.00 176.83 176.60 1xr4 s SER 95 N -6.27 -0.60 -0.15 4.97 0.15 -1.26 -2.31 113.70 108.23 1xr4 s SER 95 Ca 0.02 1.12 -0.03 0.00 0.70 0.00 0.00 55.95 57.75 1xr4 s SER 95 Cb 0.09 1.12 -0.03 0.00 -1.71 0.00 0.00 66.02 65.50 1xr4 s SER 95 CO 0.67 -0.23 -0.04 -0.76 1.20 0.00 0.00 173.24 174.08 1xr4 s LEU 96 N 0.18 3.26 0.52 3.45 1.43 -0.98 -4.77 118.68 121.77 1xr4 s LEU 96 Ca 0.01 -0.11 0.09 0.00 -1.03 0.00 0.00 54.13 53.09 1xr4 s LEU 96 Cb -0.05 -1.78 0.05 0.00 0.03 0.00 0.00 46.19 44.45 1xr4 s LEU 96 CO -0.02 0.19 0.67 0.27 0.23 0.00 0.00 176.35 177.69 1xr4 s ILE 97 N 0.23 2.37 -0.06 -0.59 -4.36 -1.26 -3.63 121.20 113.90 1xr4 s ILE 97 Ca -0.02 -1.07 0.31 0.00 -0.26 0.00 0.00 60.65 59.60 1xr4 s ILE 97 Cb -0.14 -2.44 0.36 0.00 1.25 0.00 0.00 42.46 41.50 1xr4 s ILE 97 CO 0.03 0.00 1.91 -2.24 0.24 0.00 0.00 174.94 174.88 1xr4 h ASP 98 N 0.42 0.00 0.32 4.36 3.04 -1.94 -2.45 116.42 120.17 1xr4 h ASP 98 Ca -0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 1xr4 h ASP 98 Cb 1.29 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.58 1xr4 h ASP 98 CO 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.65 1xr4 n ALA 99 N -2.03 2.02 0.11 4.15 0.00 -1.26 -3.01 120.51 120.50 1xr4 n ALA 99 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.39 1xr4 n ALA 99 Cb 0.31 -1.30 0.18 0.00 0.00 0.00 0.00 19.45 18.64 1xr4 n ALA 99 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xr4 n HIS 100 N -1.26 0.99 0.18 0.00 8.25 -0.92 -4.37 115.22 118.08 1xr4 n HIS 100 Ca 0.09 -0.38 0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1xr4 n HIS 100 Cb 0.14 -0.31 0.71 0.00 1.12 0.00 0.00 29.99 31.65 1xr4 n HIS 100 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1xr4 h TRP 101 N 1.78 0.00 0.00 4.41 5.08 -1.77 -1.45 115.95 124.00 1xr4 h TRP 101 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1xr4 h TRP 101 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 1xr4 h TRP 101 CO 0.52 0.00 0.08 -1.35 -1.28 0.00 0.00 178.44 176.41 1xr4 h PRO 102 N 0.00 0.00 0.00 0.12 0.11 -1.91 -0.81 132.00 129.51 1xr4 h PRO 102 Ca 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1xr4 h PRO 102 Cb 0.38 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1xr4 h PRO 102 CO -0.00 0.00 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.69 1xr4 h LEU 103 N 0.00 0.00 -0.09 2.35 3.38 -1.62 -3.13 115.31 116.20 1xr4 h LEU 103 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xr4 h LEU 103 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xr4 h LEU 103 CO 0.00 0.02 0.02 0.40 0.09 0.00 0.00 178.44 178.97 1xr4 h ILE 104 N 0.00 1.21 -0.40 1.22 2.04 -1.36 -1.13 117.51 119.08 1xr4 h ILE 104 Ca -0.00 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1xr4 h ILE 104 Cb 0.11 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1xr4 h ILE 104 CO 0.00 0.18 0.25 -0.33 0.00 0.00 0.00 178.15 178.25 1xr4 h GLU 105 N -0.08 0.49 -0.95 2.37 4.39 -1.75 -1.61 114.58 117.45 1xr4 h GLU 105 Ca 0.03 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1xr4 h GLU 105 Cb 0.27 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 1xr4 h GLU 105 CO 0.00 0.32 0.60 0.45 -1.16 0.00 0.00 179.01 179.22 1xr4 h HIS 106 N 0.51 1.10 -0.44 4.33 3.86 -1.55 0.01 115.15 122.97 1xr4 h HIS 106 Ca 0.16 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.29 1xr4 h HIS 106 Cb -0.02 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.08 1xr4 h HIS 106 CO -0.06 0.53 -0.16 0.82 0.86 0.00 0.00 177.93 179.92 1xr4 h ILE 107 N 1.05 1.27 -0.60 2.45 2.04 -0.86 0.15 117.51 123.02 1xr4 h ILE 107 Ca 0.43 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 1xr4 h ILE 107 Cb 0.25 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1xr4 h ILE 107 CO -0.20 0.44 0.12 0.11 0.00 0.00 0.00 178.15 178.62 1xr4 h LYS 108 N 0.71 0.95 -0.00 2.37 1.57 -0.87 -1.96 116.57 119.34 1xr4 h LYS 108 Ca 0.10 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1xr4 h LYS 108 Cb 0.71 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1xr4 h LYS 108 CO 0.05 0.86 -0.02 0.09 -0.57 0.00 0.00 179.45 179.87 1xr4 n ASN 109 N -4.25 0.22 0.00 0.86 3.02 -0.05 -4.92 115.26 110.14 1xr4 n ASN 109 Ca 0.04 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1xr4 n ASN 109 Cb 0.25 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1xr4 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xr4 n GLY 110 N 1.12 0.46 0.28 7.41 0.00 -0.60 -4.94 105.19 108.93 1xr4 n GLY 110 Ca 0.20 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.59 1xr4 n GLY 110 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xr4 h VAL 111 N 0.00 1.16 -3.35 1.61 2.07 -0.93 -2.17 116.25 114.65 1xr4 h VAL 111 Ca 0.00 -0.58 -0.54 0.00 0.82 0.00 0.00 66.70 66.39 1xr4 h VAL 111 Cb 0.00 0.82 -0.34 0.00 -1.52 0.00 0.00 31.29 30.25 1xr4 h VAL 111 CO 0.00 0.21 -0.82 -0.69 0.02 0.00 0.00 177.57 176.29 1xr4 s VAL 112 N -5.12 1.25 -0.22 2.57 1.01 -1.24 -2.20 120.40 116.45 1xr4 s VAL 112 Ca -0.08 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1xr4 s VAL 112 Cb 0.16 -1.16 -0.08 0.00 0.00 0.00 0.00 36.38 35.31 1xr4 s VAL 112 CO 0.75 0.39 0.23 -2.11 0.00 0.00 0.00 175.10 174.36 1xr4 n ARG 113 N 4.03 3.75 -3.78 2.72 1.85 -0.01 -4.61 116.66 120.61 1xr4 n ARG 113 Ca -0.20 -0.01 -0.13 0.00 -1.00 0.00 0.00 57.85 56.50 1xr4 n ARG 113 Cb 0.51 -0.88 -0.13 0.00 -1.05 0.00 0.00 32.46 30.91 1xr4 n ARG 113 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1xr4 s GLN 114 N -1.80 0.19 -0.05 2.89 2.00 -1.21 -4.51 119.66 117.17 1xr4 s GLN 114 Ca 0.01 0.33 0.05 0.00 -2.00 0.00 0.00 55.36 53.75 1xr4 s GLN 114 Cb 0.05 0.02 -0.02 0.00 0.80 0.00 0.00 33.01 33.85 1xr4 s GLN 114 CO 0.26 -0.07 -0.20 0.42 -0.50 0.00 0.00 175.29 175.20 1xr4 s ILE 115 N 0.49 2.57 -0.12 -2.34 1.01 -1.26 -0.51 121.20 121.04 1xr4 s ILE 115 Ca -0.03 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1xr4 s ILE 115 Cb -0.05 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.45 1xr4 s ILE 115 CO -0.02 0.58 -0.22 -0.31 0.00 0.00 0.00 174.94 174.96 1xr4 s TYR 116 N -0.45 2.64 0.16 3.97 2.02 0.06 -1.22 117.35 124.54 1xr4 s TYR 116 Ca 0.05 -1.15 -0.22 0.00 -0.37 0.00 0.00 57.07 55.38 1xr4 s TYR 116 Cb -0.12 -1.78 0.06 0.00 -0.40 0.00 0.00 41.96 39.73 1xr4 s TYR 116 CO 0.01 -0.49 0.58 -0.08 -1.57 0.00 0.00 175.55 174.00 1xr4 s THR 117 N 0.58 0.01 -0.18 -0.71 -1.32 -0.43 -3.67 115.64 109.91 1xr4 s THR 117 Ca -0.12 -0.13 -0.02 0.00 -1.21 0.00 0.00 61.69 60.21 1xr4 s THR 117 Cb -0.17 -1.08 -0.22 0.00 -1.51 0.00 0.00 72.50 69.52 1xr4 s THR 117 CO 0.04 -0.04 0.13 -0.24 -2.21 0.00 0.00 174.62 172.29 1xr4 n SER 118 N -0.37 1.96 -4.52 8.08 2.88 -0.98 -1.74 113.62 118.94 1xr4 n SER 118 Ca -0.16 0.07 -0.30 0.00 -1.33 0.00 0.00 58.87 57.15 1xr4 n SER 118 Cb 0.64 -0.59 -0.11 0.00 -0.75 0.00 0.00 64.21 63.40 1xr4 n SER 118 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1xr4 s GLY 119 N -5.95 1.72 -0.19 0.46 0.00 -1.26 -0.74 107.32 101.36 1xr4 s GLY 119 Ca -0.27 -1.29 -0.04 0.00 0.00 0.00 0.00 44.72 43.12 1xr4 s GLY 119 CO 0.70 -1.26 0.24 1.08 0.00 0.00 0.00 173.10 173.86 1xr4 s LEU 120 N -2.07 -0.18 0.00 0.66 1.43 -0.77 -2.31 118.68 115.43 1xr4 s LEU 120 Ca 0.19 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1xr4 s LEU 120 Cb -0.11 0.49 -0.01 0.00 0.03 0.00 0.00 46.19 46.59 1xr4 s LEU 120 CO 0.11 -0.30 0.11 -2.11 0.23 0.00 0.00 176.35 174.38 1xr4 n ARG 121 N 5.33 0.28 0.00 1.70 1.85 -1.24 -1.78 116.66 122.80 1xr4 n ARG 121 Ca -0.05 -1.41 0.00 0.00 -1.00 0.00 0.00 57.85 55.39 1xr4 n ARG 121 Cb 0.50 1.09 0.00 0.00 -1.05 0.00 0.00 32.46 32.99 1xr4 n ARG 121 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1xr4 n GLY 122 N -0.04 0.97 0.36 2.89 0.00 -1.26 -2.78 105.19 105.33 1xr4 n GLY 122 Ca 0.02 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.33 1xr4 n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xr4 h LYS 123 N 0.00 1.03 -0.53 1.61 1.57 -1.94 -2.53 116.57 115.78 1xr4 h LYS 123 Ca 0.00 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1xr4 h LYS 123 Cb 0.00 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 1xr4 h LYS 123 CO 0.00 0.68 0.35 1.25 -0.57 0.00 0.00 179.45 181.16 1xr4 h LEU 124 N 1.06 0.60 -0.57 2.94 5.85 -1.87 -2.06 115.31 121.26 1xr4 h LEU 124 Ca 0.38 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.16 1xr4 h LEU 124 Cb 0.13 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 1xr4 h LEU 124 CO -0.13 0.44 0.21 1.23 -0.34 0.00 0.00 178.44 179.85 1xr4 h GLY 125 N 0.71 0.79 0.82 3.75 0.00 -1.27 -1.73 103.07 106.13 1xr4 h GLY 125 Ca 0.20 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1xr4 h GLY 125 CO -0.05 -0.00 0.49 0.83 0.00 0.00 0.00 176.54 177.81 1xr4 h GLU 126 N 0.40 0.90 -0.29 4.80 5.08 -1.31 -1.60 114.58 122.55 1xr4 h GLU 126 Ca 0.28 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.42 1xr4 h GLU 126 Cb 0.33 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1xr4 h GLU 126 CO -0.28 0.60 -0.49 0.93 -1.00 0.00 0.00 179.01 178.77 1xr4 h GLU 127 N 0.93 0.85 0.03 2.33 4.39 -1.10 -1.28 114.58 120.72 1xr4 h GLU 127 Ca 0.32 -0.52 0.01 0.00 0.34 0.00 0.00 59.36 59.51 1xr4 h GLU 127 Cb 0.07 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1xr4 h GLU 127 CO -0.13 1.16 -0.07 0.82 -1.16 0.00 0.00 179.01 179.62 1xr4 h ILE 128 N 0.63 0.83 -0.53 3.13 1.08 -1.14 -0.37 117.51 121.14 1xr4 h ILE 128 Ca 0.02 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.57 1xr4 h ILE 128 Cb 1.09 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 1xr4 h ILE 128 CO 0.11 0.00 0.36 0.28 -0.69 0.00 0.00 178.15 178.21 1xr4 h SER 129 N -0.13 0.35 0.98 1.72 0.02 -1.23 0.32 113.55 115.59 1xr4 h SER 129 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1xr4 h SER 129 Cb 0.15 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1xr4 h SER 129 CO -0.05 0.22 0.00 0.00 -1.14 0.00 0.00 176.83 175.86 1xr4 n ALA 130 N -2.52 1.91 0.00 3.77 0.00 -0.49 -1.67 120.51 121.51 1xr4 n ALA 130 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1xr4 n ALA 130 Cb 0.31 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1xr4 n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xr4 n GLY 131 N 0.53 1.76 0.00 0.00 0.00 0.10 -4.92 105.19 102.66 1xr4 n GLY 131 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1xr4 n GLY 131 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xr4 n LEU 132 N 0.00 0.00 -0.04 0.99 7.94 -0.21 -5.01 117.00 120.68 1xr4 n LEU 132 Ca 0.00 0.06 -0.05 0.00 -1.11 0.00 0.00 56.01 54.90 1xr4 n LEU 132 Cb 0.00 -0.06 -0.03 0.00 0.53 0.00 0.00 43.42 43.86 1xr4 n LEU 132 CO 0.00 -0.06 -0.74 1.21 -1.11 0.00 0.00 177.39 176.70 1xr4 n GLU 134 N -0.87 0.18 -3.13 1.96 2.13 -1.26 -4.91 120.64 114.75 1xr4 n GLU 134 Ca 0.00 0.04 -0.39 0.00 0.66 0.00 0.00 57.16 57.47 1xr4 n GLU 134 Cb 0.05 -1.14 -0.05 0.00 0.27 0.00 0.00 31.44 30.56 1xr4 n GLU 134 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1xr4 s ASN 135 N -4.71 6.81 0.15 4.31 0.02 -1.26 -5.04 114.94 115.22 1xr4 s ASN 135 Ca -0.10 0.98 -0.31 0.00 -1.02 0.00 0.00 52.86 52.41 1xr4 s ASN 135 Cb 0.03 -2.36 -0.09 0.00 0.02 0.00 0.00 41.25 38.84 1xr4 s ASN 135 CO 0.17 -0.15 1.48 -2.84 0.02 0.00 0.00 177.10 175.78 1xr4 s PRO 136 N 1.17 4.27 0.36 -0.60 0.02 -1.26 -4.86 135.00 134.09 1xr4 s PRO 136 Ca 0.32 2.23 -0.28 0.00 0.02 0.00 0.00 61.00 63.29 1xr4 s PRO 136 Cb -0.16 -3.19 -0.12 0.00 0.02 0.00 0.00 34.50 31.05 1xr4 s PRO 136 CO 0.13 -0.52 1.28 0.28 -0.33 0.00 0.00 177.00 177.85 1xr4 n VAL 137 N 3.84 2.09 -3.33 3.83 0.31 -0.81 -4.70 118.33 119.56 1xr4 n VAL 137 Ca 0.12 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.54 1xr4 n VAL 137 Cb 0.40 -1.56 -0.09 0.00 -0.91 0.00 0.00 33.84 31.68 1xr4 n VAL 137 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1xr4 s GLN 138 N -1.93 3.54 -0.25 5.55 -1.52 -0.36 -0.73 119.66 123.97 1xr4 s GLN 138 Ca 0.56 -0.35 -0.11 0.00 -1.95 0.00 0.00 55.36 53.52 1xr4 s GLN 138 Cb -0.56 -3.82 -0.05 0.00 -0.22 0.00 0.00 33.01 28.36 1xr4 s GLN 138 CO 0.62 -0.60 0.17 0.42 -0.25 0.00 0.00 175.29 175.65 1xr4 s ILE 139 N 2.17 5.35 0.18 1.08 1.01 -0.24 -1.32 121.20 129.43 1xr4 s ILE 139 Ca 0.14 0.19 0.08 0.00 0.00 0.00 0.00 60.65 61.06 1xr4 s ILE 139 Cb -0.16 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1xr4 s ILE 139 CO 0.12 0.33 -0.17 -1.38 0.00 0.00 0.00 174.94 173.84 1xr4 s HIS 140 N 1.17 1.78 1.02 3.97 -3.43 -0.71 -0.20 115.29 118.89 1xr4 s HIS 140 Ca 0.08 -0.49 -0.15 0.00 -0.80 0.00 0.00 55.06 53.70 1xr4 s HIS 140 Cb -0.14 -0.87 0.20 0.00 -1.43 0.00 0.00 32.58 30.34 1xr4 s HIS 140 CO 0.06 0.34 1.15 -1.54 -2.00 0.00 0.00 174.74 172.74 1xr4 s SER 141 N -2.83 2.53 0.10 7.38 1.04 -1.26 -4.10 113.70 116.55 1xr4 s SER 141 Ca 0.17 0.81 -0.22 0.00 0.48 0.00 0.00 55.95 57.19 1xr4 s SER 141 Cb -0.04 -1.24 -0.13 0.00 0.10 0.00 0.00 66.02 64.71 1xr4 s SER 141 CO 0.07 -3.15 1.74 0.45 0.98 0.00 0.00 173.24 173.32 1xr4 h HIS 142 N -1.91 -0.01 0.00 5.02 3.86 0.07 -2.46 115.15 119.73 1xr4 h HIS 142 Ca -0.49 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.66 1xr4 h HIS 142 Cb 1.31 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.78 1xr4 h HIS 142 CO -0.59 -0.01 -0.28 0.78 0.86 0.00 0.00 177.93 178.69 1xr4 h GLY 143 N 0.01 0.00 0.98 2.45 0.00 -1.81 -3.26 103.07 101.43 1xr4 h GLY 143 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.36 1xr4 h GLY 143 CO -0.03 0.00 0.31 -1.33 0.00 0.00 0.00 176.54 175.48 1xr4 h GLY 144 N 1.49 0.67 0.08 4.60 0.00 -1.65 -2.57 103.07 105.68 1xr4 h GLY 144 Ca -0.00 -0.24 0.12 0.00 0.00 0.00 0.00 47.33 47.20 1xr4 h GLY 144 CO 0.04 0.23 0.05 -0.09 0.00 0.00 0.00 176.54 176.77 1xr4 h ARG 145 N 0.63 0.16 -0.17 4.80 2.43 -1.49 -0.66 114.38 120.07 1xr4 h ARG 145 Ca 0.18 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1xr4 h ARG 145 Cb -0.06 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1xr4 h ARG 145 CO -0.05 0.11 0.10 0.28 -1.51 0.00 0.00 179.97 178.90 1xr4 h VAL 146 N 0.17 1.09 -0.94 0.20 2.07 -1.56 -0.65 116.25 116.62 1xr4 h VAL 146 Ca 0.30 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1xr4 h VAL 146 Cb 0.48 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 1xr4 h VAL 146 CO -0.46 0.08 0.61 0.50 0.02 0.00 0.00 177.57 178.33 1xr4 h LYS 147 N 0.19 1.12 -0.76 1.57 3.64 -1.19 0.22 116.57 121.36 1xr4 h LYS 147 Ca 0.06 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1xr4 h LYS 147 Cb 0.05 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 1xr4 h LYS 147 CO -0.01 0.74 0.33 -0.07 -2.27 0.00 0.00 179.45 178.17 1xr4 h LEU 148 N 1.15 1.01 -0.41 5.20 3.38 -0.58 0.29 115.31 125.36 1xr4 h LEU 148 Ca 0.38 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1xr4 h LEU 148 Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1xr4 h LEU 148 CO -0.13 0.88 -0.35 0.40 0.09 0.00 0.00 178.44 179.33 1xr4 h ILE 149 N 1.09 1.27 -0.14 1.22 2.04 -0.16 -1.48 117.51 121.34 1xr4 h ILE 149 Ca 0.26 -1.52 -0.15 0.00 1.00 0.00 0.00 64.86 64.44 1xr4 h ILE 149 Cb 0.16 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1xr4 h ILE 149 CO -0.03 0.51 -0.56 1.56 0.00 0.00 0.00 178.15 179.64 1xr4 h GLN 150 N 0.78 0.44 0.00 2.37 4.20 -0.35 -2.92 115.11 119.64 1xr4 h GLN 150 Ca 0.07 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1xr4 h GLN 150 Cb 0.94 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1xr4 h GLN 150 CO 0.09 0.88 0.00 0.66 -0.67 0.00 0.00 178.83 179.79 1xr4 h SER 151 N 0.34 0.00 0.00 1.46 4.64 -0.40 -3.46 113.55 116.12 1xr4 h SER 151 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xr4 h SER 151 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1xr4 h SER 151 CO 0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 1xr4 n GLY 152 N 0.18 0.82 0.28 -0.77 0.00 -1.10 -4.91 105.19 99.69 1xr4 n GLY 152 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1xr4 n GLY 152 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xr4 h GLU 153 N 3.01 0.98 -4.65 1.61 4.81 -1.71 -3.40 114.58 115.24 1xr4 h GLU 153 Ca 0.00 -0.43 -0.68 0.00 -0.13 0.00 0.00 59.36 58.11 1xr4 h GLU 153 Cb 0.00 -0.02 -0.35 0.00 0.63 0.00 0.00 28.75 29.00 1xr4 h GLU 153 CO 0.00 1.10 -0.65 -1.17 -0.73 0.00 0.00 179.01 177.57 1xr4 s LEU 154 N -9.03 4.59 -0.37 1.64 2.96 -0.60 -5.02 118.68 112.85 1xr4 s LEU 154 Ca -0.11 -1.75 -0.04 0.00 -0.22 0.00 0.00 54.13 52.00 1xr4 s LEU 154 Cb 0.12 -1.74 0.08 0.00 0.50 0.00 0.00 46.19 45.15 1xr4 s LEU 154 CO 0.87 -0.39 0.14 0.20 -1.32 0.00 0.00 176.35 175.85 1xr4 s ASN 155 N 1.41 5.24 -0.27 3.68 0.01 -1.26 -3.98 114.94 119.77 1xr4 s ASN 155 Ca 0.03 -1.57 -0.29 0.00 -0.71 0.00 0.00 52.86 50.32 1xr4 s ASN 155 Cb -0.21 -1.83 0.01 0.00 0.41 0.00 0.00 41.25 39.62 1xr4 s ASN 155 CO -0.04 -0.43 1.13 -0.63 -1.51 0.00 0.00 177.10 175.62 1xr4 s ILE 156 N 1.27 4.46 -0.08 0.60 1.01 -1.26 -4.47 121.20 122.74 1xr4 s ILE 156 Ca 0.02 1.72 -0.26 0.00 0.00 0.00 0.00 60.65 62.13 1xr4 s ILE 156 Cb -0.21 -4.28 -0.25 0.00 0.01 0.00 0.00 42.46 37.72 1xr4 s ILE 156 CO -0.01 -0.35 0.95 0.44 0.00 0.00 0.00 174.94 175.97 1xr4 h ASP 157 N 8.12 0.17 -3.42 3.58 3.32 -1.49 -0.19 116.42 126.52 1xr4 h ASP 157 Ca -0.22 -0.85 -0.39 0.00 0.02 0.00 0.00 57.03 55.59 1xr4 h ASP 157 Cb 1.07 -0.05 -0.35 0.00 0.22 0.00 0.00 39.33 40.22 1xr4 h ASP 157 CO 1.01 1.00 -0.76 -0.69 -1.72 0.00 0.00 179.24 178.08 1xr4 s VAL 158 N -2.83 0.34 -0.25 -1.35 1.01 -1.06 -0.59 120.40 115.66 1xr4 s VAL 158 Ca -0.16 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 1xr4 s VAL 158 Cb -0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1xr4 s VAL 158 CO 0.73 0.20 0.12 0.00 0.00 0.00 0.00 175.10 176.15 1xr4 s ALA 159 N 1.24 3.33 -0.81 5.51 0.00 0.70 -1.79 121.76 129.94 1xr4 s ALA 159 Ca -0.06 -1.08 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 1xr4 s ALA 159 Cb -0.13 -2.22 0.19 0.00 0.00 0.00 0.00 23.12 20.96 1xr4 s ALA 159 CO -0.02 -0.45 0.81 -0.06 0.00 0.00 0.00 175.76 176.04 1xr4 s PHE 160 N 1.55 3.57 -0.43 0.00 0.08 0.18 -0.14 117.98 122.80 1xr4 s PHE 160 Ca 0.06 -1.78 -0.09 0.00 0.12 0.00 0.00 56.93 55.24 1xr4 s PHE 160 Cb -0.15 -3.91 0.09 0.00 -0.57 0.00 0.00 43.02 38.47 1xr4 s PHE 160 CO 0.06 -1.10 0.27 -0.51 -0.10 0.00 0.00 175.22 173.84 1xr4 s LEU 161 N 0.86 5.23 0.23 -0.37 1.43 0.23 -4.38 118.68 121.91 1xr4 s LEU 161 Ca 0.19 -1.58 -0.31 0.00 -1.03 0.00 0.00 54.13 51.41 1xr4 s LEU 161 Cb -0.11 -1.99 -0.10 0.00 0.03 0.00 0.00 46.19 44.02 1xr4 s LEU 161 CO -0.07 -0.56 1.53 -0.83 0.23 0.00 0.00 176.35 176.64 1xr4 s GLY 162 N 2.19 2.00 0.02 -3.19 0.00 -1.26 -1.75 107.32 105.32 1xr4 s GLY 162 Ca 0.04 1.41 0.01 0.00 0.00 0.00 0.00 44.72 46.17 1xr4 s GLY 162 CO 0.01 2.47 -0.04 -1.34 0.00 0.00 0.00 173.10 174.21 1xr4 s VAL 163 N 0.39 0.20 0.20 1.40 -7.23 0.16 -4.89 120.40 110.64 1xr4 s VAL 163 Ca 0.64 -0.81 0.15 0.00 -1.81 0.00 0.00 61.98 60.15 1xr4 s VAL 163 Cb -0.44 -0.31 0.05 0.00 0.56 0.00 0.00 36.38 36.24 1xr4 s VAL 163 CO 0.40 -0.39 1.66 1.55 -0.31 0.00 0.00 175.10 178.01 1xr4 h PRO 164 N 4.86 0.00 -2.52 4.82 0.13 -1.79 -2.94 132.00 134.56 1xr4 h PRO 164 Ca -0.32 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.72 1xr4 h PRO 164 Cb 1.21 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 1xr4 h PRO 164 CO 0.43 0.51 -0.05 0.00 -0.23 0.00 0.00 178.00 178.65 1xr4 s ASP 167 N -2.23 4.34 0.57 0.00 1.47 -0.83 -1.72 116.67 118.27 1xr4 s ASP 167 Ca 0.02 0.68 0.38 0.00 1.18 0.00 0.00 52.55 54.81 1xr4 s ASP 167 Cb -0.01 -1.12 2.03 0.00 -0.34 0.00 0.00 42.92 43.48 1xr4 s ASP 167 CO -0.07 -1.99 2.17 -0.33 0.68 0.00 0.00 175.17 175.63 1xr4 h GLU 168 N -1.10 0.00 0.00 2.11 5.08 -1.91 -2.66 114.58 116.10 1xr4 h GLU 168 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1xr4 h GLU 168 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1xr4 h GLU 168 CO 0.62 0.00 -0.86 0.34 -1.00 0.00 0.00 179.01 178.11 1xr4 n PHE 169 N -2.88 0.25 0.00 4.33 -0.00 -1.26 -4.65 117.46 113.24 1xr4 n PHE 169 Ca -0.02 0.07 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1xr4 n PHE 169 Cb 0.09 -0.41 0.00 0.00 -0.00 0.00 0.00 39.48 39.16 1xr4 n PHE 169 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xr4 n GLY 170 N 1.40 1.28 3.59 7.13 0.00 -1.00 -4.49 105.19 113.09 1xr4 n GLY 170 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1xr4 n GLY 170 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xr4 s ASN 171 N -1.96 6.57 0.06 1.61 0.01 -1.26 -4.05 114.94 115.92 1xr4 s ASN 171 Ca 0.00 0.33 0.08 0.00 -0.71 0.00 0.00 52.86 52.56 1xr4 s ASN 171 Cb 0.00 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 1xr4 s ASN 171 CO 0.00 -1.31 -0.22 0.00 -1.51 0.00 0.00 177.10 174.06 1xr4 s ALA 172 N 4.55 1.91 0.21 0.60 0.00 -0.43 -1.97 121.76 126.63 1xr4 s ALA 172 Ca 0.46 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1xr4 s ALA 172 Cb -0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1xr4 s ALA 172 CO 0.30 0.43 0.15 0.54 0.00 0.00 0.00 175.76 177.17 1xr4 s ASN 173 N -1.39 0.20 -0.32 0.00 2.20 -1.15 -1.03 114.94 113.44 1xr4 s ASN 173 Ca 0.09 -1.39 0.05 0.00 -0.94 0.00 0.00 52.86 50.67 1xr4 s ASN 173 Cb -0.09 0.39 0.58 0.00 -2.00 0.00 0.00 41.25 40.13 1xr4 s ASN 173 CO 0.03 -0.86 1.69 0.61 -2.94 0.00 0.00 177.10 175.63 1xr4 n GLY 174 N -0.29 3.70 0.07 0.45 0.00 -1.25 -3.75 105.19 104.13 1xr4 n GLY 174 Ca 0.02 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.23 1xr4 n GLY 174 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xr4 n PHE 175 N -0.50 0.00 -4.42 1.61 3.72 -1.26 -1.73 117.46 114.88 1xr4 n PHE 175 Ca 0.42 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.61 1xr4 n PHE 175 Cb 1.35 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.80 1xr4 n PHE 175 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1xr4 s SER 176 N -1.64 2.14 0.00 4.37 0.01 -1.26 -4.98 113.70 112.34 1xr4 s SER 176 Ca 0.05 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 55.73 1xr4 s SER 176 Cb 0.07 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1xr4 s SER 176 CO 0.31 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.71 1xr4 n GLY 177 N -0.72 -0.15 0.26 3.44 0.00 -1.25 -3.39 105.19 103.38 1xr4 n GLY 177 Ca -0.02 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 1xr4 n GLY 177 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xr4 n LYS 178 N 0.54 0.46 -1.48 1.61 5.02 -1.26 -4.70 118.16 118.35 1xr4 n LYS 178 Ca 0.00 0.19 -0.40 0.00 -2.02 0.00 0.00 58.31 56.08 1xr4 n LYS 178 Cb 0.00 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 1xr4 n LYS 178 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1xr4 n SER 179 N -4.19 7.34 -4.58 4.39 7.64 -1.26 -4.70 113.62 118.27 1xr4 n SER 179 Ca -0.27 -2.68 -0.29 0.00 1.01 0.00 0.00 58.87 56.64 1xr4 n SER 179 Cb 0.61 -1.58 -0.06 0.00 -1.01 0.00 0.00 64.21 62.18 1xr4 n SER 179 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1xr4 s ARG 180 N 2.26 2.61 0.45 1.43 0.52 -1.26 -4.50 118.95 120.45 1xr4 s ARG 180 Ca 0.62 -1.18 0.29 0.00 -0.52 0.00 0.00 55.73 54.94 1xr4 s ARG 180 Cb 0.17 -5.26 1.03 0.00 0.52 0.00 0.00 34.95 31.41 1xr4 s ARG 180 CO -0.07 -3.82 1.84 0.00 0.02 0.00 0.00 175.30 173.27 1xr4 n GLY 182 N 0.37 1.41 3.74 0.00 0.00 -0.71 -4.35 105.19 105.65 1xr4 n GLY 182 Ca 0.02 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1xr4 n GLY 182 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xr4 s SER 183 N -4.00 6.65 -0.42 1.61 0.15 -1.26 -3.74 113.70 112.69 1xr4 s SER 183 Ca 0.00 2.64 0.05 0.00 0.70 0.00 0.00 55.95 59.33 1xr4 s SER 183 Cb 0.00 -2.62 0.51 0.00 -1.71 0.00 0.00 66.02 62.20 1xr4 s SER 183 CO 0.00 -0.72 1.63 0.18 1.20 0.00 0.00 173.24 175.53 1xr4 n LEU 184 N 2.72 5.69 -0.33 3.45 4.77 -1.26 -4.42 117.00 127.62 1xr4 n LEU 184 Ca 0.08 -4.11 0.15 0.00 -0.03 0.00 0.00 56.01 52.10 1xr4 n LEU 184 Cb 0.40 -0.70 0.34 0.00 -2.33 0.00 0.00 43.42 41.13 1xr4 n LEU 184 CO 0.61 1.48 1.12 1.23 -1.33 0.00 0.00 177.39 180.50 1xr4 h GLY 185 N 1.53 1.73 1.43 -0.72 0.00 -1.68 -2.36 103.07 103.00 1xr4 h GLY 185 Ca 0.43 -0.27 -0.24 0.00 0.00 0.00 0.00 47.33 47.25 1xr4 h GLY 185 CO 0.91 -0.21 -0.99 -0.97 0.00 0.00 0.00 176.54 175.29 1xr4 h TYR 186 N 0.55 0.75 0.00 5.60 0.05 -1.87 -3.01 116.97 119.05 1xr4 h TYR 186 Ca 0.59 -0.41 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 1xr4 h TYR 186 Cb 1.08 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.74 1xr4 h TYR 186 CO -0.05 1.24 -0.07 0.00 -1.05 0.00 0.00 178.16 178.23 1xr4 h ALA 187 N 0.62 1.83 0.00 3.88 0.00 -1.82 -2.82 119.26 120.95 1xr4 h ALA 187 Ca -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1xr4 h ALA 187 Cb 1.63 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1xr4 h ALA 187 CO 0.18 0.09 -0.05 1.96 0.00 0.00 0.00 179.25 181.42 1xr4 h GLN 188 N 0.00 0.00 0.23 0.00 4.20 -1.44 0.85 115.11 118.94 1xr4 h GLN 188 Ca -0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 1xr4 h GLN 188 Cb 0.13 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.93 1xr4 h GLN 188 CO 0.01 0.05 -1.59 0.28 -0.67 0.00 0.00 178.83 176.91 1xr4 h VAL 189 N 0.00 1.13 -0.39 -0.54 2.07 -1.65 -2.91 116.25 113.97 1xr4 h VAL 189 Ca -0.00 -2.61 -0.08 0.00 0.82 0.00 0.00 66.70 64.83 1xr4 h VAL 189 Cb 0.28 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1xr4 h VAL 189 CO 0.01 0.83 -0.06 0.44 0.02 0.00 0.00 177.57 178.81 1xr4 h ASP 190 N 0.12 0.72 -0.98 0.57 3.45 -1.49 -2.20 116.42 116.61 1xr4 h ASP 190 Ca -0.30 -0.34 0.11 0.00 0.43 0.00 0.00 57.03 56.93 1xr4 h ASP 190 Cb 2.13 -0.19 -0.08 0.00 -0.56 0.00 0.00 39.33 40.63 1xr4 h ASP 190 CO 0.23 0.89 0.62 0.00 -1.57 0.00 0.00 179.24 179.41 1xr4 h ALA 191 N 0.85 1.45 0.00 3.45 0.00 -0.94 0.49 119.26 124.57 1xr4 h ALA 191 Ca 0.10 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1xr4 h ALA 191 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1xr4 h ALA 191 CO 0.03 0.26 -0.85 0.37 0.00 0.00 0.00 179.25 179.05 1xr4 h GLN 192 N 1.01 0.06 0.00 0.00 4.15 -1.40 -3.41 115.11 115.52 1xr4 h GLN 192 Ca 0.47 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.81 1xr4 h GLN 192 Cb 0.41 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1xr4 h GLN 192 CO -0.25 0.87 -1.34 0.66 -1.93 0.00 0.00 178.83 176.85 1xr4 n TYR 193 N -3.58 0.00 -2.23 3.99 4.01 -0.83 -5.01 117.16 113.51 1xr4 n TYR 193 Ca -0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.33 1xr4 n TYR 193 Cb 0.80 -0.19 -0.02 0.00 -0.31 0.00 0.00 39.34 39.63 1xr4 n TYR 193 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xr4 s ALA 194 N -2.45 3.35 0.22 -0.72 0.00 0.10 -4.73 121.76 117.54 1xr4 s ALA 194 Ca -0.03 1.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.95 1xr4 s ALA 194 Cb 0.04 -3.42 0.18 0.00 0.00 0.00 0.00 23.12 19.93 1xr4 s ALA 194 CO 0.29 -0.53 1.86 0.87 0.00 0.00 0.00 175.76 178.25 1xr4 h LYS 195 N 3.16 1.14 -4.11 0.00 1.79 -1.10 -3.42 116.57 114.04 1xr4 h LYS 195 Ca -0.48 -0.12 -0.42 0.00 -2.18 0.00 0.00 60.65 57.44 1xr4 h LYS 195 Cb 1.23 -0.23 -0.34 0.00 -1.58 0.00 0.00 32.23 31.31 1xr4 h LYS 195 CO 0.64 0.82 -0.78 0.00 -1.08 0.00 0.00 179.45 179.05 1xr4 s VAL 197 N 0.86 2.64 -0.20 0.00 1.01 -1.26 -0.22 120.40 123.23 1xr4 s VAL 197 Ca -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 1xr4 s VAL 197 Cb -0.15 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1xr4 s VAL 197 CO 0.01 0.35 -0.04 -0.69 0.00 0.00 0.00 175.10 174.72 1xr4 s VAL 198 N 1.33 3.51 -0.14 2.92 1.01 0.80 -1.74 120.40 128.09 1xr4 s VAL 198 Ca 0.02 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1xr4 s VAL 198 Cb -0.15 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1xr4 s VAL 198 CO -0.07 0.44 0.14 -0.76 0.00 0.00 0.00 175.10 174.84 1xr4 s LEU 199 N 1.16 4.34 -0.35 3.92 1.43 0.43 -0.60 118.68 129.01 1xr4 s LEU 199 Ca 0.02 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1xr4 s LEU 199 Cb -0.14 -2.07 0.09 0.00 0.03 0.00 0.00 46.19 44.10 1xr4 s LEU 199 CO -0.00 0.35 0.07 -0.76 0.23 0.00 0.00 176.35 176.24 1xr4 s LEU 200 N -0.67 4.70 0.23 1.79 1.02 -0.72 -1.29 118.68 123.75 1xr4 s LEU 200 Ca 0.13 -1.97 0.06 0.00 0.02 0.00 0.00 54.13 52.37 1xr4 s LEU 200 Cb -0.12 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.37 1xr4 s LEU 200 CO 0.02 -0.40 0.25 0.28 0.02 0.00 0.00 176.35 176.53 1xr4 s THR 201 N 1.02 4.78 -0.33 5.49 -1.32 -0.10 -0.66 115.64 124.51 1xr4 s THR 201 Ca 0.07 -1.18 0.10 0.00 -1.21 0.00 0.00 61.69 59.46 1xr4 s THR 201 Cb -0.20 -3.56 -0.12 0.00 -1.51 0.00 0.00 72.50 67.10 1xr4 s THR 201 CO -0.06 -0.30 0.36 -1.84 -2.21 0.00 0.00 174.62 170.57 1xr4 n GLU 202 N -1.12 2.84 -3.76 7.08 0.28 -1.11 0.68 120.64 125.53 1xr4 n GLU 202 Ca -0.08 -0.03 -0.13 0.00 -0.16 0.00 0.00 57.16 56.76 1xr4 n GLU 202 Cb 0.57 -1.03 -0.14 0.00 1.43 0.00 0.00 31.44 32.27 1xr4 n GLU 202 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1xr4 s GLU 203 N -2.13 0.14 0.14 3.44 2.12 -1.03 -4.76 118.70 116.63 1xr4 s GLU 203 Ca 0.02 0.36 -0.23 0.00 0.36 0.00 0.00 54.97 55.48 1xr4 s GLU 203 Cb 0.07 -0.09 -0.08 0.00 0.26 0.00 0.00 34.13 34.30 1xr4 s GLU 203 CO 0.40 -0.12 0.70 -1.58 -0.54 0.00 0.00 175.26 174.12 1xr4 s TRP 204 N 0.87 3.85 0.18 5.30 0.52 -1.26 -1.28 118.94 127.11 1xr4 s TRP 204 Ca -0.06 1.49 0.06 0.00 0.02 0.00 0.00 56.10 57.61 1xr4 s TRP 204 Cb -0.08 -2.66 -0.04 0.00 -1.15 0.00 0.00 33.47 29.53 1xr4 s TRP 204 CO -0.05 0.52 -0.13 0.14 0.02 0.00 0.00 176.95 177.46 1xr4 s VAL 205 N -1.17 1.51 0.33 4.03 -7.23 -0.70 -4.88 120.40 112.29 1xr4 s VAL 205 Ca 0.34 -2.10 -0.28 0.00 -1.81 0.00 0.00 61.98 58.13 1xr4 s VAL 205 Cb -0.21 -1.92 -0.10 0.00 0.56 0.00 0.00 36.38 34.71 1xr4 s VAL 205 CO 0.23 -0.62 1.19 -0.70 -0.31 0.00 0.00 175.10 174.89 1xr4 s GLU 206 N -3.55 4.40 0.18 4.82 2.12 -1.26 -3.99 118.70 121.42 1xr4 s GLU 206 Ca 0.19 1.96 -0.30 0.00 0.36 0.00 0.00 54.97 57.17 1xr4 s GLU 206 Cb -0.00 -3.02 -0.08 0.00 0.26 0.00 0.00 34.13 31.28 1xr4 s GLU 206 CO 0.04 -0.05 1.24 0.12 -0.54 0.00 0.00 175.26 176.07 1xr4 s PHE 207 N -1.22 3.36 -0.11 5.30 5.36 -1.26 -3.28 117.98 126.14 1xr4 s PHE 207 Ca 0.49 1.33 -0.14 0.00 -0.96 0.00 0.00 56.93 57.65 1xr4 s PHE 207 Cb -0.34 -3.50 -0.05 0.00 -0.34 0.00 0.00 43.02 38.79 1xr4 s PHE 207 CO 0.45 -1.49 0.33 -1.25 -1.46 0.00 0.00 175.22 171.79 1xr4 s PRO 208 N -0.08 4.08 -0.02 10.12 0.04 -1.26 -5.13 135.00 142.75 1xr4 s PRO 208 Ca 0.55 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 1xr4 s PRO 208 Cb -0.34 -3.34 -0.06 0.00 0.04 0.00 0.00 34.50 30.79 1xr4 s PRO 208 CO 0.37 0.41 1.64 1.21 0.04 0.00 0.00 177.00 180.67 1xr4 s ASN 209 N -0.10 6.66 -0.06 6.66 2.47 -1.20 -5.01 114.94 124.35 1xr4 s ASN 209 Ca 0.20 2.29 0.05 0.00 0.42 0.00 0.00 52.86 55.82 1xr4 s ASN 209 Cb -0.14 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 37.11 1xr4 s ASN 209 CO 0.07 -0.90 -0.23 -0.47 -3.72 0.00 0.00 177.10 171.85 1xr4 s TYR 210 N 3.59 2.26 0.63 0.43 5.04 -1.26 -3.92 117.35 124.12 1xr4 s TYR 210 Ca 0.73 -0.71 -0.13 0.00 -2.44 0.00 0.00 57.07 54.53 1xr4 s TYR 210 Cb -0.35 -1.50 -0.03 0.00 0.35 0.00 0.00 41.96 40.44 1xr4 s TYR 210 CO 0.30 -0.23 1.04 -1.25 -1.34 0.00 0.00 175.55 174.07 1xr4 s PRO 211 N -0.03 3.35 -0.84 4.97 0.05 -1.26 -5.06 135.00 136.17 1xr4 s PRO 211 Ca -0.06 0.94 -0.09 0.00 0.05 0.00 0.00 61.00 61.85 1xr4 s PRO 211 Cb -0.14 -2.05 0.22 0.00 0.05 0.00 0.00 34.50 32.58 1xr4 s PRO 211 CO 0.04 -0.77 0.75 0.00 0.05 0.00 0.00 177.00 177.07 1xr4 s ALA 212 N -2.91 4.10 0.13 8.56 0.00 -1.25 -4.19 121.76 126.19 1xr4 s ALA 212 Ca 0.58 -3.48 -0.12 0.00 0.00 0.00 0.00 51.96 48.94 1xr4 s ALA 212 Cb -0.13 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1xr4 s ALA 212 CO 0.48 -2.21 1.47 0.77 0.00 0.00 0.00 175.76 176.27 1xr4 h SER 213 N 7.12 0.92 -3.26 0.00 0.02 -1.45 -3.35 113.55 113.55 1xr4 h SER 213 Ca 0.10 -0.45 -0.62 0.00 -0.84 0.00 0.00 61.79 59.97 1xr4 h SER 213 Cb 0.95 -0.26 -0.16 0.00 0.14 0.00 0.00 62.40 63.08 1xr4 h SER 213 CO 0.80 1.18 -0.57 -0.63 -1.14 0.00 0.00 176.83 176.47 1xr4 s ILE 214 N -4.44 4.72 0.14 3.27 1.01 -0.95 -4.86 121.20 120.09 1xr4 s ILE 214 Ca -0.12 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1xr4 s ILE 214 Cb 0.10 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1xr4 s ILE 214 CO 0.86 0.48 0.26 0.00 0.00 0.00 0.00 174.94 176.54 1xr4 s ALA 215 N 0.20 3.93 0.53 9.38 0.00 -1.26 -1.32 121.76 133.22 1xr4 s ALA 215 Ca 0.04 -1.03 0.23 0.00 0.00 0.00 0.00 51.96 51.19 1xr4 s ALA 215 Cb -0.12 -1.74 1.38 0.00 0.00 0.00 0.00 23.12 22.64 1xr4 s ALA 215 CO 0.01 0.57 2.05 -0.56 0.00 0.00 0.00 175.76 177.83 1xr4 h GLN 216 N 2.30 0.00 -0.37 0.00 3.07 -1.79 -0.98 115.11 117.33 1xr4 h GLN 216 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1xr4 h GLN 216 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1xr4 h GLN 216 CO 0.69 0.00 0.00 -0.40 0.09 0.00 0.00 178.83 179.21 1xr4 n ASP 217 N -4.38 1.50 -0.00 0.06 5.75 -1.26 -3.40 116.55 114.81 1xr4 n ASP 217 Ca 0.05 -2.06 0.02 0.00 -0.01 0.00 0.00 54.79 52.78 1xr4 n ASP 217 Cb 0.42 -0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 40.24 1xr4 n ASP 217 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xr4 n GLN 218 N 0.18 5.56 -4.23 0.11 6.02 -0.37 -5.03 117.38 119.61 1xr4 n GLN 218 Ca 0.08 -0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.73 1xr4 n GLN 218 Cb 0.27 -0.70 -0.11 0.00 1.02 0.00 0.00 30.24 30.72 1xr4 n GLN 218 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xr4 s VAL 219 N -1.40 4.22 -0.22 5.09 1.01 -1.22 -4.60 120.40 123.28 1xr4 s VAL 219 Ca 0.02 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 1xr4 s VAL 219 Cb 0.03 -2.87 -0.18 0.00 0.00 0.00 0.00 36.38 33.36 1xr4 s VAL 219 CO 0.17 0.47 0.07 0.47 0.00 0.00 0.00 175.10 176.29 1xr4 n ASP 220 N 3.61 1.92 -4.11 3.32 8.00 -0.71 -4.96 116.55 123.62 1xr4 n ASP 220 Ca -0.17 0.35 -0.16 0.00 0.71 0.00 0.00 54.79 55.52 1xr4 n ASP 220 Cb 0.52 -0.89 -0.12 0.00 -0.02 0.00 0.00 41.12 40.61 1xr4 n ASP 220 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xr4 s LEU 221 N -7.62 2.24 -0.02 0.64 1.43 -0.79 -4.55 118.68 110.01 1xr4 s LEU 221 Ca -0.31 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 1xr4 s LEU 221 Cb 0.08 -0.38 0.02 0.00 0.03 0.00 0.00 46.19 45.94 1xr4 s LEU 221 CO 0.59 -0.10 0.01 -0.63 0.23 0.00 0.00 176.35 176.45 1xr4 s ILE 222 N -1.19 0.03 0.00 -0.59 1.01 -0.14 -0.43 121.20 119.89 1xr4 s ILE 222 Ca -0.04 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.79 1xr4 s ILE 222 Cb -0.09 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.24 1xr4 s ILE 222 CO 0.01 0.09 -0.17 0.54 0.00 0.00 0.00 174.94 175.41 1xr4 s VAL 223 N 0.81 1.31 -0.01 2.92 0.11 -0.41 -0.21 120.40 124.92 1xr4 s VAL 223 Ca -0.07 -0.82 -0.23 0.00 -2.93 0.00 0.00 61.98 57.94 1xr4 s VAL 223 Cb -0.10 -1.11 -0.05 0.00 -1.53 0.00 0.00 36.38 33.58 1xr4 s VAL 223 CO -0.02 0.28 0.67 -1.58 -3.33 0.00 0.00 175.10 171.12 1xr4 s GLN 224 N -0.62 4.40 0.37 1.54 0.74 -1.26 -0.93 119.66 123.91 1xr4 s GLN 224 Ca 0.06 0.86 0.07 0.00 0.05 0.00 0.00 55.36 56.40 1xr4 s GLN 224 Cb -0.07 -3.38 -0.07 0.00 1.10 0.00 0.00 33.01 30.59 1xr4 s GLN 224 CO 0.00 0.25 -0.00 0.14 -0.55 0.00 0.00 175.29 175.13 1xr4 s VAL 225 N 0.15 1.85 -0.02 1.34 -7.23 0.21 -4.91 120.40 111.79 1xr4 s VAL 225 Ca 0.35 -2.04 -0.25 0.00 -1.81 0.00 0.00 61.98 58.23 1xr4 s VAL 225 Cb -0.19 -2.87 -0.19 0.00 0.56 0.00 0.00 36.38 33.70 1xr4 s VAL 225 CO 0.19 -0.05 1.22 -0.78 -0.31 0.00 0.00 175.10 175.37 1xr4 h ASP 226 N 1.91 -0.08 -3.97 4.85 3.58 -1.91 -3.38 116.42 117.43 1xr4 h ASP 226 Ca -0.43 -0.41 -0.14 0.00 0.42 0.00 0.00 57.03 56.47 1xr4 h ASP 226 Cb 1.24 0.02 -0.24 0.00 1.72 0.00 0.00 39.33 42.07 1xr4 h ASP 226 CO 0.76 0.39 -0.33 -1.61 -2.88 0.00 0.00 179.24 175.58 1xr4 s GLU 227 N -4.25 0.41 -0.06 0.28 2.02 -1.26 -4.91 118.70 110.94 1xr4 s GLU 227 Ca -0.15 0.39 0.15 0.00 0.02 0.00 0.00 54.97 55.38 1xr4 s GLU 227 Cb 0.02 0.20 -0.23 0.00 0.10 0.00 0.00 34.13 34.22 1xr4 s GLU 227 CO 0.63 -0.06 0.26 1.33 0.02 0.00 0.00 175.26 177.44 1xr4 n VAL 228 N 2.74 0.31 -2.89 2.63 0.24 -1.26 -4.77 118.33 115.32 1xr4 n VAL 228 Ca -0.14 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1xr4 n VAL 228 Cb 0.58 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1xr4 n VAL 228 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xr4 n GLY 229 N 1.74 5.51 3.21 7.63 0.00 -1.26 -1.59 105.19 120.43 1xr4 n GLY 229 Ca -0.09 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1xr4 n GLY 229 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xr4 s ASP 230 N 1.00 5.79 0.16 1.61 -1.08 -1.14 -4.82 116.67 118.19 1xr4 s ASP 230 Ca 0.00 -2.18 -0.19 0.00 -0.52 0.00 0.00 52.55 49.66 1xr4 s ASP 230 Cb 0.00 -2.02 0.08 0.00 -1.46 0.00 0.00 42.92 39.52 1xr4 s ASP 230 CO 0.00 -0.63 1.65 -0.65 0.52 0.00 0.00 175.17 176.06 1xr4 h PRO 231 N 8.13 -0.11 -0.81 4.34 0.11 -1.94 -0.45 132.00 141.27 1xr4 h PRO 231 Ca -0.14 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.07 1xr4 h PRO 231 Cb 1.05 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 1xr4 h PRO 231 CO 0.83 -0.07 0.46 1.05 -0.21 0.00 0.00 178.00 180.06 1xr4 h GLU 232 N -0.11 0.76 0.17 1.05 4.11 -1.95 -2.40 114.58 116.21 1xr4 h GLU 232 Ca 0.18 -0.05 -0.28 0.00 0.07 0.00 0.00 59.36 59.28 1xr4 h GLU 232 Cb 0.38 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1xr4 h GLU 232 CO -0.42 0.50 -1.33 0.87 0.07 0.00 0.00 179.01 178.70 1xr4 h LYS 233 N 0.78 0.35 -0.67 1.06 1.79 -1.88 -3.06 116.57 114.94 1xr4 h LYS 233 Ca 0.39 -0.60 0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1xr4 h LYS 233 Cb 0.35 0.22 -0.07 0.00 -1.58 0.00 0.00 32.23 31.16 1xr4 h LYS 233 CO -0.24 1.29 0.31 0.82 -1.08 0.00 0.00 179.45 180.54 1xr4 h ILE 234 N -0.15 0.83 -0.00 1.86 1.08 -1.07 -2.85 117.51 117.20 1xr4 h ILE 234 Ca -0.26 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1xr4 h ILE 234 Cb 1.88 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.88 1xr4 h ILE 234 CO 0.15 0.10 -0.29 0.35 -0.69 0.00 0.00 178.15 177.77 1xr4 n THR 235 N -4.91 0.00 -1.74 -0.27 -2.24 -0.91 -3.43 114.28 100.78 1xr4 n THR 235 Ca 0.10 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 1xr4 n THR 235 Cb 0.27 0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.57 1xr4 n THR 235 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xr4 n ALA 236 N -1.26 1.82 -0.58 6.98 0.00 -1.08 -4.16 120.51 122.24 1xr4 n ALA 236 Ca 0.09 0.27 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 1xr4 n ALA 236 Cb 0.33 -2.35 0.28 0.00 0.00 0.00 0.00 19.45 17.70 1xr4 n ALA 236 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xr4 s GLY 237 N -0.43 1.46 0.29 0.00 0.00 -1.26 -0.95 107.32 106.43 1xr4 s GLY 237 Ca 0.60 -0.90 -0.30 0.00 0.00 0.00 0.00 44.72 44.12 1xr4 s GLY 237 CO 0.59 0.09 1.52 0.00 0.00 0.00 0.00 173.10 175.30 1xr4 s ALA 238 N -2.49 3.67 0.05 3.20 0.00 -1.26 -4.60 121.76 120.33 1xr4 s ALA 238 Ca 0.70 1.48 -0.31 0.00 0.00 0.00 0.00 51.96 53.83 1xr4 s ALA 238 Cb -0.11 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.34 1xr4 s ALA 238 CO 0.57 -0.90 1.30 0.42 0.00 0.00 0.00 175.76 177.15 1xr4 s ILE 239 N -0.21 3.78 0.95 0.00 1.01 -1.26 -5.03 121.20 120.45 1xr4 s ILE 239 Ca 0.60 1.24 -0.11 0.00 0.00 0.00 0.00 60.65 62.38 1xr4 s ILE 239 Cb -0.45 -3.80 0.17 0.00 0.01 0.00 0.00 42.46 38.39 1xr4 s ILE 239 CO 0.49 0.06 1.10 0.00 0.00 0.00 0.00 174.94 176.58 1xr4 s ARG 240 N 1.53 0.74 1.11 2.79 1.70 -1.26 -5.00 118.95 120.56 1xr4 s ARG 240 Ca 0.61 1.15 -0.12 0.00 -0.47 0.00 0.00 55.73 56.89 1xr4 s ARG 240 Cb -0.31 -1.72 0.25 0.00 -0.57 0.00 0.00 34.95 32.59 1xr4 s ARG 240 CO 0.28 -2.69 1.05 -0.51 -1.08 0.00 0.00 175.30 172.35 1xr4 s LEU 241 N -6.58 1.16 0.61 -1.89 1.43 -1.26 -4.96 118.68 107.19 1xr4 s LEU 241 Ca 0.66 1.49 -0.19 0.00 -1.03 0.00 0.00 54.13 55.05 1xr4 s LEU 241 Cb -0.21 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1xr4 s LEU 241 CO 0.59 -3.87 1.30 -0.24 0.23 0.00 0.00 176.35 174.36 1xr4 n SER 242 N -4.69 2.24 -0.25 2.29 2.88 -1.26 -4.94 113.62 109.89 1xr4 n SER 242 Ca 0.04 0.89 0.06 0.00 -1.33 0.00 0.00 58.87 58.53 1xr4 n SER 242 Cb 0.55 -1.56 -0.01 0.00 -0.75 0.00 0.00 64.21 62.44 1xr4 n SER 242 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1xr4 n SER 243 N -1.49 1.27 -4.63 -3.46 3.41 -1.26 -4.97 113.62 102.50 1xr4 n SER 243 Ca 0.14 -1.14 -0.43 0.00 -0.26 0.00 0.00 58.87 57.18 1xr4 n SER 243 Cb 0.47 0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 64.93 1xr4 n SER 243 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xr4 s ASN 244 N -1.66 6.46 0.52 4.04 2.47 -1.26 -4.91 114.94 120.60 1xr4 s ASN 244 Ca 0.10 1.51 0.29 0.00 0.42 0.00 0.00 52.86 55.18 1xr4 s ASN 244 Cb 0.10 -2.53 1.41 0.00 -1.45 0.00 0.00 41.25 38.78 1xr4 s ASN 244 CO 0.34 -1.21 2.03 1.55 -3.72 0.00 0.00 177.10 176.09 1xr4 h PRO 245 N 10.33 0.00 -0.05 0.43 0.13 -1.98 -0.45 132.00 140.42 1xr4 h PRO 245 Ca -0.32 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1xr4 h PRO 245 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1xr4 h PRO 245 CO 1.01 0.11 0.01 0.00 -0.23 0.00 0.00 178.00 178.90 1xr4 h ARG 246 N 0.00 0.08 -0.55 0.86 3.08 -1.99 0.20 114.38 116.06 1xr4 h ARG 246 Ca -0.00 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1xr4 h ARG 246 Cb 0.43 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1xr4 h ARG 246 CO 0.01 0.29 0.07 0.93 -1.07 0.00 0.00 179.97 180.20 1xr4 h GLU 247 N -0.14 0.92 -0.94 0.04 5.08 -1.84 -1.37 114.58 116.33 1xr4 h GLU 247 Ca 0.02 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1xr4 h GLU 247 Cb 0.24 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1xr4 h GLU 247 CO 0.00 0.90 0.60 -0.07 -1.00 0.00 0.00 179.01 179.44 1xr4 h LEU 248 N 0.81 1.10 -0.00 1.33 3.38 -1.03 0.71 115.31 121.60 1xr4 h LEU 248 Ca 0.16 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1xr4 h LEU 248 Cb 0.43 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xr4 h LEU 248 CO 0.01 0.81 -0.05 0.25 0.09 0.00 0.00 178.44 179.56 1xr4 h LEU 249 N 1.29 -0.15 -1.00 1.67 5.85 -0.25 -0.58 115.31 122.14 1xr4 h LEU 249 Ca 0.34 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.14 1xr4 h LEU 249 Cb -0.11 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 1xr4 h LEU 249 CO -0.07 -0.08 0.65 0.40 -0.34 0.00 0.00 178.44 179.00 1xr4 h ILE 250 N -0.09 1.11 -0.20 4.05 2.04 -0.73 -2.39 117.51 121.30 1xr4 h ILE 250 Ca 0.02 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1xr4 h ILE 250 Cb 0.12 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 1xr4 h ILE 250 CO -0.06 0.22 0.04 0.00 0.00 0.00 0.00 178.15 178.36 1xr4 h ALA 251 N 1.44 0.26 -0.95 1.87 0.00 -0.54 -0.76 119.26 120.59 1xr4 h ALA 251 Ca 0.43 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1xr4 h ALA 251 Cb 0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 1xr4 h ALA 251 CO -0.16 -0.09 0.60 0.00 0.00 0.00 0.00 179.25 179.60 1xr4 h ARG 252 N 0.13 1.03 -0.07 0.00 3.08 -0.86 -1.52 114.38 116.17 1xr4 h ARG 252 Ca 0.06 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1xr4 h ARG 252 Cb 0.28 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1xr4 h ARG 252 CO 0.00 0.68 -0.60 1.96 -1.07 0.00 0.00 179.97 180.95 1xr4 h GLN 253 N 1.06 0.52 -0.64 0.04 4.20 -1.29 -2.61 115.11 116.38 1xr4 h GLN 253 Ca 0.42 -0.47 0.06 0.00 0.06 0.00 0.00 58.65 58.72 1xr4 h GLN 253 Cb 0.23 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 1xr4 h GLN 253 CO -0.19 1.10 0.42 0.00 -0.67 0.00 0.00 178.83 179.50 1xr4 h ALA 254 N 0.42 1.76 -0.22 3.87 0.00 -0.95 -1.13 119.26 123.01 1xr4 h ALA 254 Ca -0.06 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1xr4 h ALA 254 Cb 1.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1xr4 h ALA 254 CO 0.12 0.15 -0.28 0.00 0.00 0.00 0.00 179.25 179.23 1xr4 h ALA 255 N 1.65 1.10 -0.28 0.00 0.00 -1.12 -2.12 119.26 118.49 1xr4 h ALA 255 Ca 0.27 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1xr4 h ALA 255 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xr4 h ALA 255 CO -0.08 0.56 -0.57 -0.91 0.00 0.00 0.00 179.25 178.24 1xr4 h ASN 256 N 0.38 0.98 0.17 0.00 2.35 -1.03 -0.29 115.58 118.14 1xr4 h ASN 256 Ca 0.05 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1xr4 h ASN 256 Cb 0.70 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1xr4 h ASN 256 CO 0.05 1.34 -0.17 0.58 -1.65 0.00 0.00 177.43 177.59 1xr4 h VAL 257 N 0.66 0.63 -0.21 2.81 2.07 -1.13 -2.08 116.25 119.00 1xr4 h VAL 257 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1xr4 h VAL 257 Cb 1.19 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1xr4 h VAL 257 CO 0.13 0.00 -0.12 0.40 0.02 0.00 0.00 177.57 178.00 1xr4 h ILE 258 N -0.37 0.64 -0.87 4.57 2.04 -1.41 -0.48 117.51 121.63 1xr4 h ILE 258 Ca 0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.02 1xr4 h ILE 258 Cb 0.35 0.64 -0.10 0.00 -0.74 0.00 0.00 36.82 36.96 1xr4 h ILE 258 CO -0.04 0.00 0.45 -0.08 0.00 0.00 0.00 178.15 178.48 1xr4 h GLU 259 N -0.10 0.60 -0.50 2.37 4.81 -0.80 -2.70 114.58 118.25 1xr4 h GLU 259 Ca 0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1xr4 h GLU 259 Cb 0.28 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1xr4 h GLU 259 CO -0.28 0.39 0.00 0.72 -0.73 0.00 0.00 179.01 179.12 1xr4 n HIS 260 N -4.88 0.67 0.19 0.92 8.25 -0.80 -4.52 115.22 115.04 1xr4 n HIS 260 Ca 0.18 -0.43 0.05 0.00 -0.26 0.00 0.00 57.72 57.27 1xr4 n HIS 260 Cb 0.48 -0.01 0.38 0.00 1.12 0.00 0.00 29.99 31.96 1xr4 n HIS 260 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1xr4 h SER 261 N 3.47 0.00 0.00 0.41 4.64 -0.73 -3.36 113.55 117.97 1xr4 h SER 261 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xr4 h SER 261 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1xr4 h SER 261 CO 0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 1xr4 n GLY 262 N -0.12 0.76 0.00 -0.77 0.00 -1.26 -4.79 105.19 99.00 1xr4 n GLY 262 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 1xr4 n GLY 262 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xr4 n TYR 263 N -1.55 0.00 -2.65 1.61 4.01 -1.26 -4.83 117.16 112.50 1xr4 n TYR 263 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1xr4 n TYR 263 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1xr4 n TYR 263 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1xr4 n PHE 264 N -1.16 4.58 -4.27 -0.72 7.35 -1.26 -4.76 117.46 117.22 1xr4 n PHE 264 Ca 0.01 -3.06 -0.18 0.00 -0.76 0.00 0.00 57.45 53.46 1xr4 n PHE 264 Cb 0.10 -2.40 -0.11 0.00 0.35 0.00 0.00 39.48 37.42 1xr4 n PHE 264 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xr4 n ASP 266 N 0.25 1.24 0.00 0.00 2.03 -1.26 -1.81 116.55 116.99 1xr4 n ASP 266 Ca -0.13 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.31 1xr4 n ASP 266 Cb 0.58 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 1xr4 n ASP 266 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xr4 n GLY 267 N 2.83 0.72 3.76 0.27 0.00 0.47 -4.97 105.19 108.27 1xr4 n GLY 267 Ca 0.23 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1xr4 n GLY 267 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xr4 s PHE 268 N -2.00 2.43 0.20 1.61 -0.12 -0.75 -3.63 117.98 115.71 1xr4 s PHE 268 Ca 0.00 1.52 0.07 0.00 -0.05 0.00 0.00 56.93 58.47 1xr4 s PHE 268 Cb 0.00 -3.44 -0.04 0.00 -0.63 0.00 0.00 43.02 38.91 1xr4 s PHE 268 CO 0.00 -2.12 0.07 -1.54 -0.05 0.00 0.00 175.22 171.58 1xr4 s SER 269 N -1.67 5.06 0.11 1.98 1.04 -1.26 -1.02 113.70 117.94 1xr4 s SER 269 Ca 0.76 -0.34 -0.18 0.00 0.48 0.00 0.00 55.95 56.68 1xr4 s SER 269 Cb -0.29 -1.17 0.04 0.00 0.10 0.00 0.00 66.02 64.70 1xr4 s SER 269 CO 0.33 0.05 0.43 -1.48 0.98 0.00 0.00 173.24 173.55 1xr4 s LEU 270 N -3.25 0.27 -0.10 2.42 2.34 -0.98 -2.74 118.68 116.65 1xr4 s LEU 270 Ca 0.30 -0.19 -0.01 0.00 0.06 0.00 0.00 54.13 54.28 1xr4 s LEU 270 Cb -0.09 1.91 0.03 0.00 -0.56 0.00 0.00 46.19 47.49 1xr4 s LEU 270 CO 0.21 -0.82 -0.02 -1.58 -1.06 0.00 0.00 176.35 173.08 1xr4 s GLN 271 N -3.46 0.88 0.56 1.48 0.74 -0.73 -1.27 119.66 117.87 1xr4 s GLN 271 Ca 0.01 -0.06 0.09 0.00 0.05 0.00 0.00 55.36 55.45 1xr4 s GLN 271 Cb 0.01 -1.28 0.08 0.00 1.10 0.00 0.00 33.01 32.92 1xr4 s GLN 271 CO -0.10 -0.33 0.76 0.95 -0.55 0.00 0.00 175.29 176.02 1xr4 s THR 272 N 1.88 2.22 0.65 -0.34 -4.23 -1.26 -4.38 115.64 110.18 1xr4 s THR 272 Ca 0.04 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 1xr4 s THR 272 Cb -0.13 -2.23 0.11 0.00 1.34 0.00 0.00 72.50 71.58 1xr4 s THR 272 CO -0.06 0.00 0.90 -0.83 -0.54 0.00 0.00 174.62 174.08 1xr4 s GLY 273 N -4.62 1.76 -0.53 3.99 0.00 -0.52 -4.93 107.32 102.46 1xr4 s GLY 273 Ca 0.60 -1.89 0.02 0.00 0.00 0.00 0.00 44.72 43.45 1xr4 s GLY 273 CO 0.38 -1.38 1.90 -1.30 0.00 0.00 0.00 173.10 172.69 1xr4 n THR 274 N -2.56 3.32 0.00 0.90 -2.24 -1.26 -3.92 114.28 108.52 1xr4 n THR 274 Ca 0.15 -2.62 0.00 0.00 -2.27 0.00 0.00 64.05 59.31 1xr4 n THR 274 Cb 0.61 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1xr4 n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xr4 n GLY 275 N -1.01 2.06 7.00 3.38 0.00 -1.26 -4.94 105.19 110.42 1xr4 n GLY 275 Ca 0.58 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1xr4 n GLY 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xr4 n GLY 276 N -1.18 1.77 0.19 -0.02 0.00 -1.26 -1.07 105.19 103.61 1xr4 n GLY 276 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 1xr4 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr4 h ALA 277 N -0.78 0.72 -0.06 4.61 0.00 -1.92 -1.61 119.26 120.20 1xr4 h ALA 277 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1xr4 h ALA 277 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xr4 h ALA 277 CO 0.00 0.72 -0.22 0.66 0.00 0.00 0.00 179.25 180.42 1xr4 h SER 278 N 0.29 0.10 0.26 0.00 4.64 -1.86 0.86 113.55 117.85 1xr4 h SER 278 Ca -0.01 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1xr4 h SER 278 Cb 1.16 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1xr4 h SER 278 CO 0.11 0.33 -0.13 0.25 -0.87 0.00 0.00 176.83 176.52 1xr4 h LEU 279 N 0.10 -0.30 -1.37 5.97 5.85 -1.00 -1.39 115.31 123.17 1xr4 h LEU 279 Ca 0.02 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1xr4 h LEU 279 Cb 0.45 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1xr4 h LEU 279 CO 0.03 0.19 0.00 0.00 -0.34 0.00 0.00 178.44 178.32 1xr4 h ALA 280 N -0.51 1.00 -1.00 1.25 0.00 -0.79 -2.72 119.26 116.48 1xr4 h ALA 280 Ca -0.04 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1xr4 h ALA 280 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 1xr4 h ALA 280 CO 0.06 0.00 0.62 -0.24 0.00 0.00 0.00 179.25 179.69 1xr4 h VAL 281 N 0.00 0.79 -0.99 0.00 3.04 -1.02 -2.74 116.25 115.33 1xr4 h VAL 281 Ca 0.00 -0.29 0.22 0.00 -1.01 0.00 0.00 66.70 65.62 1xr4 h VAL 281 Cb 0.16 -0.14 -0.12 0.00 -2.01 0.00 0.00 31.29 29.18 1xr4 h VAL 281 CO 0.00 0.16 0.58 0.71 -1.01 0.00 0.00 177.57 178.01 1xr4 h THR 282 N 0.86 0.59 -0.79 3.17 1.35 -1.75 -0.87 112.91 115.46 1xr4 h THR 282 Ca 0.55 -0.21 0.04 0.00 -0.55 0.00 0.00 66.41 66.23 1xr4 h THR 282 Cb 0.74 -0.09 -0.05 0.00 -1.73 0.00 0.00 68.15 67.02 1xr4 h THR 282 CO -0.33 0.11 0.52 -0.09 -0.25 0.00 0.00 175.52 175.48 1xr4 h ARG 283 N 0.63 0.92 0.00 4.72 2.43 -1.73 0.12 114.38 121.47 1xr4 h ARG 283 Ca 0.61 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.69 1xr4 h ARG 283 Cb 1.09 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1xr4 h ARG 283 CO -0.45 0.61 -1.25 1.19 -1.51 0.00 0.00 179.97 178.56 1xr4 n PHE 284 N -4.46 0.82 -0.09 2.20 3.01 -0.56 -3.83 117.46 114.56 1xr4 n PHE 284 Ca 0.10 0.25 -0.13 0.00 1.01 0.00 0.00 57.45 58.68 1xr4 n PHE 284 Cb 0.14 -0.92 -0.05 0.00 -0.01 0.00 0.00 39.48 38.64 1xr4 n PHE 284 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1xr4 h LEU 285 N 0.00 0.67 -0.30 4.37 3.38 -0.67 -3.07 115.31 119.69 1xr4 h LEU 285 Ca -0.04 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.54 1xr4 h LEU 285 Cb 1.13 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1xr4 h LEU 285 CO 0.01 0.99 -0.19 -0.08 0.09 0.00 0.00 178.44 179.25 1xr4 h GLU 286 N 0.36 -0.16 -0.69 1.13 4.81 -0.89 -2.61 114.58 116.54 1xr4 h GLU 286 Ca 0.05 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1xr4 h GLU 286 Cb 0.78 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 1xr4 h GLU 286 CO 0.06 -0.10 0.23 0.22 -0.73 0.00 0.00 179.01 178.69 1xr4 h ASP 287 N -0.16 0.99 0.00 1.04 3.58 -1.66 -1.00 116.42 119.20 1xr4 h ASP 287 Ca 0.16 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1xr4 h ASP 287 Cb 0.41 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1xr4 h ASP 287 CO -0.40 0.92 0.00 0.29 -2.88 0.00 0.00 179.24 177.17 1xr4 n LYS 288 N -4.33 0.00 0.00 0.28 5.02 -0.98 -0.67 118.16 117.47 1xr4 n LYS 288 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1xr4 n LYS 288 Cb 0.21 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1xr4 n LYS 288 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xr4 n ARG 290 N 0.61 0.00 0.24 1.97 1.74 -0.38 -1.78 116.66 119.06 1xr4 n ARG 290 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1xr4 n ARG 290 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 1xr4 n ARG 290 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1xr4 h ARG 291 N 0.00 -0.58 -7.46 5.56 9.65 -1.15 -3.42 114.38 116.98 1xr4 h ARG 291 Ca 0.00 0.04 -0.48 0.00 -1.10 0.00 0.00 59.98 58.44 1xr4 h ARG 291 Cb 0.00 0.13 0.12 0.00 -1.39 0.00 0.00 29.97 28.83 1xr4 h ARG 291 CO 0.00 -0.30 0.33 -1.01 2.80 0.00 0.00 179.97 181.79 1xr4 s HIS 292 N -5.24 2.73 -1.17 2.20 3.76 -0.73 -4.94 115.29 111.90 1xr4 s HIS 292 Ca -0.15 1.00 -0.05 0.00 -0.15 0.00 0.00 55.06 55.70 1xr4 s HIS 292 Cb 0.03 -3.25 0.10 0.00 1.11 0.00 0.00 32.58 30.56 1xr4 s HIS 292 CO 0.56 -1.99 2.49 0.09 -0.85 0.00 0.00 174.74 175.04 1xr4 n ASN 293 N -3.54 7.78 -4.68 1.40 3.02 -1.26 -4.95 115.26 113.02 1xr4 n ASN 293 Ca 0.07 -3.12 -0.34 0.00 -0.03 0.00 0.00 54.58 51.15 1xr4 n ASN 293 Cb 0.58 -1.35 -0.09 0.00 -0.61 0.00 0.00 39.78 38.31 1xr4 n ASN 293 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xr4 s ILE 294 N -1.20 4.25 0.05 2.41 1.01 -1.26 -4.86 121.20 121.60 1xr4 s ILE 294 Ca 0.56 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.89 1xr4 s ILE 294 Cb 0.22 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1xr4 s ILE 294 CO -0.11 0.56 -0.05 0.42 0.00 0.00 0.00 174.94 175.75 1xr4 s THR 295 N -0.92 0.39 0.19 2.92 -4.23 -1.26 -4.51 115.64 108.23 1xr4 s THR 295 Ca 0.14 -1.29 -0.08 0.00 -1.18 0.00 0.00 61.69 59.29 1xr4 s THR 295 Cb -0.11 -0.83 -0.07 0.00 1.34 0.00 0.00 72.50 72.83 1xr4 s THR 295 CO 0.04 -0.59 0.49 0.00 -0.54 0.00 0.00 174.62 174.01 1xr4 s ALA 296 N -2.16 3.64 0.08 3.99 0.00 0.12 -0.39 121.76 127.04 1xr4 s ALA 296 Ca -0.05 -0.36 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 1xr4 s ALA 296 Cb -0.05 -2.34 -0.20 0.00 0.00 0.00 0.00 23.12 20.54 1xr4 s ALA 296 CO -0.02 0.56 1.24 0.66 0.00 0.00 0.00 175.76 178.19 1xr4 h SER 297 N 2.73 0.91 -5.00 0.00 4.64 -1.14 -2.30 113.55 113.39 1xr4 h SER 297 Ca -0.47 -0.69 -0.05 0.00 -0.47 0.00 0.00 61.79 60.11 1xr4 h SER 297 Cb 1.17 -0.28 -0.16 0.00 -0.31 0.00 0.00 62.40 62.82 1xr4 h SER 297 CO 0.70 1.47 0.16 0.72 -0.87 0.00 0.00 176.83 179.01 1xr4 s PHE 298 N -3.50 -0.57 0.12 4.77 -0.71 -1.26 -2.55 117.98 114.29 1xr4 s PHE 298 Ca -0.10 0.75 0.04 0.00 -1.04 0.00 0.00 56.93 56.58 1xr4 s PHE 298 Cb 0.07 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 1xr4 s PHE 298 CO 0.91 -0.68 0.09 0.20 -1.34 0.00 0.00 175.22 174.40 1xr4 s GLY 299 N -1.81 1.86 0.03 1.99 0.00 -0.20 -2.31 107.32 106.87 1xr4 s GLY 299 Ca -0.06 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.55 1xr4 s GLY 299 CO 0.01 -1.13 -0.10 -2.27 0.00 0.00 0.00 173.10 169.61 1xr4 s LEU 300 N -2.73 2.14 0.00 0.66 2.96 -0.40 -1.46 118.68 119.86 1xr4 s LEU 300 Ca 0.29 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1xr4 s LEU 300 Cb -0.11 -0.39 0.00 0.00 0.50 0.00 0.00 46.19 46.19 1xr4 s LEU 300 CO 0.22 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.84 1xr4 n GLY 301 N 2.10 0.10 3.55 7.98 0.00 -0.83 -4.45 105.19 113.65 1xr4 n GLY 301 Ca -0.18 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1xr4 n GLY 301 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xr4 s GLY 302 N 0.00 1.73 0.22 -0.02 0.00 -1.24 -0.90 107.32 107.11 1xr4 s GLY 302 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 44.72 43.45 1xr4 s GLY 302 CO 0.00 1.51 0.96 -0.42 0.00 0.00 0.00 173.10 175.15 1xr4 s ILE 303 N 2.76 4.11 0.43 0.90 -1.09 -0.91 -4.82 121.20 122.58 1xr4 s ILE 303 Ca 0.24 2.04 0.08 0.00 -2.23 0.00 0.00 60.65 60.78 1xr4 s ILE 303 Cb -0.14 -4.30 -0.02 0.00 -1.58 0.00 0.00 42.46 36.42 1xr4 s ILE 303 CO 0.16 0.45 0.37 0.42 -1.23 0.00 0.00 174.94 175.12 1xr4 s THR 304 N -0.94 2.54 0.19 2.92 -4.23 -1.26 -0.45 115.64 114.42 1xr4 s THR 304 Ca 0.42 -1.38 0.31 0.00 -1.18 0.00 0.00 61.69 59.86 1xr4 s THR 304 Cb -0.26 -2.92 0.34 0.00 1.34 0.00 0.00 72.50 71.00 1xr4 s THR 304 CO 0.32 0.00 1.98 1.23 -0.54 0.00 0.00 174.62 177.61 1xr4 h GLY 305 N 1.03 0.00 -1.33 3.99 0.00 -1.91 -1.79 103.07 103.05 1xr4 h GLY 305 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1xr4 h GLY 305 CO 0.58 0.00 0.00 -0.37 0.00 0.00 0.00 176.54 176.75 1xr4 n THR 306 N -3.25 0.18 0.00 4.70 5.66 -1.26 -0.22 114.28 120.09 1xr4 n THR 306 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1xr4 n THR 306 Cb 0.32 -0.43 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 1xr4 n THR 306 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1xr4 n VAL 308 N 0.40 0.00 -0.20 1.08 0.31 -0.67 -2.07 118.33 117.18 1xr4 n VAL 308 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1xr4 n VAL 308 Cb 0.18 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.14 1xr4 n VAL 308 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1xr4 h ASP 309 N 0.00 0.69 0.31 4.52 3.58 -0.88 -1.27 116.42 123.36 1xr4 h ASP 309 Ca 0.00 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 1xr4 h ASP 309 Cb 0.00 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1xr4 h ASP 309 CO 0.00 0.53 -0.30 -0.07 -2.88 0.00 0.00 179.24 176.52 1xr4 h LEU 310 N 0.78 0.00 -0.13 2.28 3.38 -1.68 -1.98 115.31 117.97 1xr4 h LEU 310 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1xr4 h LEU 310 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xr4 h LEU 310 CO -0.04 0.30 -0.09 -0.74 0.09 0.00 0.00 178.44 177.96 1xr4 h HIS 311 N 0.00 0.35 -0.43 1.13 2.76 -1.55 -1.04 115.15 116.36 1xr4 h HIS 311 Ca -0.00 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 1xr4 h HIS 311 Cb 0.54 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 1xr4 h HIS 311 CO 0.00 0.65 0.21 0.93 -1.30 0.00 0.00 177.93 178.42 1xr4 h GLU 312 N -0.06 0.60 0.00 5.26 5.08 -1.16 0.14 114.58 124.44 1xr4 h GLU 312 Ca 0.03 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xr4 h GLU 312 Cb 0.58 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1xr4 h GLU 312 CO 0.02 0.47 0.00 1.63 -1.00 0.00 0.00 179.01 180.13 1xr4 n LYS 313 N -4.40 0.13 -1.16 2.33 5.02 -0.75 -4.90 118.16 114.43 1xr4 n LYS 313 Ca 0.03 0.20 -0.06 0.00 -2.02 0.00 0.00 58.31 56.47 1xr4 n LYS 313 Cb 0.12 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 1xr4 n LYS 313 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xr4 n GLY 314 N -0.40 0.78 0.15 0.72 0.00 0.50 -4.88 105.19 102.07 1xr4 n GLY 314 Ca 0.05 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.76 1xr4 n GLY 314 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xr4 h LEU 315 N 0.00 0.00 -7.89 0.99 3.38 -1.38 -3.43 115.31 106.98 1xr4 h LEU 315 Ca -0.11 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.33 1xr4 h LEU 315 Cb 0.51 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.91 1xr4 h LEU 315 CO 0.17 0.00 -0.81 -0.63 0.09 0.00 0.00 178.44 177.26 1xr4 s ILE 316 N -3.32 1.13 0.00 1.22 1.01 -1.11 0.14 121.20 120.28 1xr4 s ILE 316 Ca 0.02 -0.43 0.11 0.00 0.00 0.00 0.00 60.65 60.35 1xr4 s ILE 316 Cb 0.08 -1.07 -0.18 0.00 0.01 0.00 0.00 42.46 41.31 1xr4 s ILE 316 CO 0.75 0.37 1.02 0.11 0.00 0.00 0.00 174.94 177.19 1xr4 h LYS 317 N 7.41 0.00 -3.52 2.79 1.57 -1.47 -3.38 116.57 119.97 1xr4 h LYS 317 Ca -0.31 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.31 1xr4 h LYS 317 Cb 1.17 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.25 1xr4 h LYS 317 CO 0.46 0.68 -0.54 0.00 -0.57 0.00 0.00 179.45 179.48 1xr4 s ALA 318 N -2.72 -0.28 -0.06 3.86 0.00 -1.06 -4.89 121.76 116.61 1xr4 s ALA 318 Ca -0.01 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.01 1xr4 s ALA 318 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1xr4 s ALA 318 CO 0.81 -0.15 -0.23 -0.51 0.00 0.00 0.00 175.76 175.69 1xr4 s LEU 319 N -0.86 2.02 -0.20 0.00 1.43 0.19 -1.04 118.68 120.23 1xr4 s LEU 319 Ca -0.09 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1xr4 s LEU 319 Cb -0.05 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 1xr4 s LEU 319 CO 0.01 0.20 -0.08 -0.76 0.23 0.00 0.00 176.35 175.95 1xr4 s LEU 320 N -0.01 2.77 -0.27 1.79 1.43 -0.53 0.40 118.68 124.25 1xr4 s LEU 320 Ca -0.06 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1xr4 s LEU 320 Cb -0.14 -1.68 0.07 0.00 0.03 0.00 0.00 46.19 44.47 1xr4 s LEU 320 CO 0.04 0.03 -0.02 -0.62 0.23 0.00 0.00 176.35 176.01 1xr4 s ASP 321 N 1.19 4.16 0.04 2.29 -1.08 0.99 -1.96 116.67 122.31 1xr4 s ASP 321 Ca 0.02 -1.49 0.23 0.00 -0.52 0.00 0.00 52.55 50.79 1xr4 s ASP 321 Cb -0.14 -1.29 0.15 0.00 -1.46 0.00 0.00 42.92 40.18 1xr4 s ASP 321 CO -0.03 -0.29 1.13 1.07 0.52 0.00 0.00 175.17 177.58 1xr4 n THR 322 N 4.57 0.13 -3.57 1.71 5.66 -0.08 -1.85 114.28 120.84 1xr4 n THR 322 Ca -0.07 -0.16 -0.01 0.00 -3.05 0.00 0.00 64.05 60.75 1xr4 n THR 322 Cb 0.43 0.28 -0.05 0.00 -1.55 0.00 0.00 70.33 69.44 1xr4 n THR 322 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1xr4 s GLN 323 N -3.12 0.47 0.07 1.09 0.74 -1.23 -2.90 119.66 114.78 1xr4 s GLN 323 Ca 0.06 1.05 -0.23 0.00 0.05 0.00 0.00 55.36 56.29 1xr4 s GLN 323 Cb 0.15 0.48 -0.06 0.00 1.10 0.00 0.00 33.01 34.68 1xr4 s GLN 323 CO 0.78 -0.14 0.71 -1.12 -0.55 0.00 0.00 175.29 174.97 1xr4 s SER 324 N 2.28 7.19 -0.10 6.67 0.01 -1.26 -2.14 113.70 126.35 1xr4 s SER 324 Ca -0.06 1.42 0.20 0.00 1.31 0.00 0.00 55.95 58.82 1xr4 s SER 324 Cb -0.07 -2.44 -0.28 0.00 0.21 0.00 0.00 66.02 63.43 1xr4 s SER 324 CO -0.18 0.11 0.32 0.49 0.41 0.00 0.00 173.24 174.39 1xr4 n PHE 325 N 2.35 0.07 -4.50 2.43 3.72 0.40 -4.86 117.46 117.07 1xr4 n PHE 325 Ca -0.05 0.02 -0.24 0.00 -0.05 0.00 0.00 57.45 57.13 1xr4 n PHE 325 Cb 0.50 -0.77 -0.10 0.00 -0.94 0.00 0.00 39.48 38.16 1xr4 n PHE 325 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1xr4 s ASP 326 N -5.06 3.37 0.58 4.37 -0.00 -1.26 -5.01 116.67 113.66 1xr4 s ASP 326 Ca -0.09 -1.21 0.33 0.00 -0.00 0.00 0.00 52.55 51.59 1xr4 s ASP 326 Cb 0.10 -0.28 1.78 0.00 -0.00 0.00 0.00 42.92 44.51 1xr4 s ASP 326 CO 0.87 -0.27 2.18 1.23 -0.00 0.00 0.00 175.17 179.18 1xr4 h GLY 327 N 2.10 0.00 0.82 0.21 0.00 -1.07 -1.09 103.07 104.05 1xr4 h GLY 327 Ca -0.41 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1xr4 h GLY 327 CO 0.70 0.00 0.02 -0.55 0.00 0.00 0.00 176.54 176.71 1xr4 h ASP 328 N 0.00 0.30 -0.29 0.19 3.32 -1.82 -0.75 116.42 117.36 1xr4 h ASP 328 Ca -0.00 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1xr4 h ASP 328 Cb 0.19 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1xr4 h ASP 328 CO 0.01 0.50 0.13 0.00 -1.72 0.00 0.00 179.24 178.16 1xr4 h ALA 329 N 0.81 0.37 -0.57 3.45 0.00 -1.75 -0.86 119.26 120.72 1xr4 h ALA 329 Ca 0.05 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1xr4 h ALA 329 Cb 0.34 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 1xr4 h ALA 329 CO 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 179.25 179.26 1xr4 h ALA 330 N 0.99 0.61 -0.06 0.00 0.00 -1.22 0.26 119.26 119.83 1xr4 h ALA 330 Ca 0.10 0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1xr4 h ALA 330 Cb 0.14 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xr4 h ALA 330 CO -0.01 -0.35 -0.74 0.00 0.00 0.00 0.00 179.25 178.14 1xr4 h ARG 331 N 0.18 0.34 -0.30 0.00 3.08 -1.00 -2.81 114.38 113.87 1xr4 h ARG 331 Ca 0.29 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1xr4 h ARG 331 Cb 0.45 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1xr4 h ARG 331 CO -0.43 0.94 -0.23 1.03 -1.07 0.00 0.00 179.97 180.21 1xr4 h SER 332 N 0.23 0.56 -0.24 7.04 0.87 -0.85 -2.39 113.55 118.76 1xr4 h SER 332 Ca -0.03 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.30 1xr4 h SER 332 Cb 1.32 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 1xr4 h SER 332 CO 0.12 0.79 0.02 0.25 -0.53 0.00 0.00 176.83 177.47 1xr4 h LEU 333 N 0.50 0.50 -0.16 2.23 5.85 -0.71 0.35 115.31 123.86 1xr4 h LEU 333 Ca 0.07 -0.09 -0.22 0.00 0.84 0.00 0.00 57.88 58.48 1xr4 h LEU 333 Cb 0.66 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.57 1xr4 h LEU 333 CO 0.05 0.55 -0.79 0.00 -0.34 0.00 0.00 178.44 177.92 1xr4 h ALA 334 N 1.51 0.31 0.00 1.25 0.00 -1.29 -3.39 119.26 117.66 1xr4 h ALA 334 Ca 0.11 -0.60 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 1xr4 h ALA 334 Cb 0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1xr4 h ALA 334 CO 0.01 0.69 -2.08 1.04 0.00 0.00 0.00 179.25 178.90 1xr4 n GLN 335 N -3.93 1.04 -3.31 0.00 6.02 -0.93 -4.91 117.38 111.36 1xr4 n GLN 335 Ca -0.07 -0.05 -0.39 0.00 -0.01 0.00 0.00 57.00 56.47 1xr4 n GLN 335 Cb 0.75 -1.44 -0.08 0.00 1.02 0.00 0.00 30.24 30.49 1xr4 n GLN 335 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xr4 s ASN 336 N -4.84 6.39 0.30 1.08 0.02 0.10 -4.97 114.94 113.02 1xr4 s ASN 336 Ca -0.08 0.46 -0.01 0.00 -1.02 0.00 0.00 52.86 52.22 1xr4 s ASN 336 Cb 0.07 -2.25 0.47 0.00 0.02 0.00 0.00 41.25 39.56 1xr4 s ASN 336 CO 0.72 -0.21 1.92 1.55 0.02 0.00 0.00 177.10 181.10 1xr4 h PRO 337 N 7.90 0.92 -0.57 -0.60 0.13 -1.90 -2.64 132.00 135.25 1xr4 h PRO 337 Ca -0.31 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1xr4 h PRO 337 Cb 1.15 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1xr4 h PRO 337 CO 0.70 0.69 0.00 0.72 -0.23 0.00 0.00 178.00 179.88 1xr4 n HIS 338 N -4.36 0.89 -3.13 1.56 8.25 -1.26 -4.46 115.22 112.71 1xr4 n HIS 338 Ca 0.06 -0.38 -0.45 0.00 -0.26 0.00 0.00 57.72 56.69 1xr4 n HIS 338 Cb 0.11 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 1xr4 n HIS 338 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1xr4 s HIS 339 N -1.59 3.09 -0.13 4.41 5.04 -1.00 -0.64 115.29 124.48 1xr4 s HIS 339 Ca 0.34 -1.12 -0.06 0.00 -1.54 0.00 0.00 55.06 52.69 1xr4 s HIS 339 Cb 0.21 -4.01 -0.04 0.00 0.04 0.00 0.00 32.58 28.78 1xr4 s HIS 339 CO 0.19 -1.27 0.09 0.42 -2.34 0.00 0.00 174.74 171.83 1xr4 s ILE 340 N 2.39 5.03 -0.03 0.89 1.01 0.16 -4.69 121.20 125.97 1xr4 s ILE 340 Ca 0.13 0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.56 1xr4 s ILE 340 Cb -0.21 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1xr4 s ILE 340 CO 0.03 0.57 0.79 -0.70 0.00 0.00 0.00 174.94 175.64 1xr4 s GLU 341 N -0.61 4.48 0.17 2.79 2.12 -1.26 -0.00 118.70 126.39 1xr4 s GLU 341 Ca 0.12 1.06 0.05 0.00 0.36 0.00 0.00 54.97 56.56 1xr4 s GLU 341 Cb -0.12 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 1xr4 s GLU 341 CO 0.02 0.06 -0.11 0.96 -0.54 0.00 0.00 175.26 175.65 1xr4 s ILE 342 N 0.76 1.33 0.60 -3.70 -4.36 -0.77 -4.85 121.20 110.21 1xr4 s ILE 342 Ca 0.42 -2.11 -0.01 0.00 -0.26 0.00 0.00 60.65 58.70 1xr4 s ILE 342 Cb -0.19 -1.95 0.05 0.00 1.25 0.00 0.00 42.46 41.61 1xr4 s ILE 342 CO 0.22 -0.66 0.85 -0.94 0.24 0.00 0.00 174.94 174.64 1xr4 s SER 343 N -3.23 5.07 0.51 4.36 1.04 -1.26 -4.12 113.70 116.07 1xr4 s SER 343 Ca 0.19 0.05 0.26 0.00 0.48 0.00 0.00 55.95 56.94 1xr4 s SER 343 Cb 0.02 -0.83 1.35 0.00 0.10 0.00 0.00 66.02 66.65 1xr4 s SER 343 CO 0.03 -1.32 2.03 0.74 0.98 0.00 0.00 173.24 175.70 1xr4 h THR 344 N -0.14 0.59 -0.06 2.02 2.02 -1.88 -0.72 112.91 114.74 1xr4 h THR 344 Ca -0.42 -0.63 -0.15 0.00 0.77 0.00 0.00 66.41 65.97 1xr4 h THR 344 Cb 1.30 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 1xr4 h THR 344 CO 0.53 0.14 -0.64 -1.13 0.37 0.00 0.00 175.52 174.79 1xr4 h ASN 345 N 0.00 0.28 1.55 4.18 -0.00 -1.94 0.83 115.58 120.48 1xr4 h ASN 345 Ca -0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 56.30 56.13 1xr4 h ASN 345 Cb 0.40 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.64 1xr4 h ASN 345 CO 0.02 0.84 -0.13 1.56 -0.00 0.00 0.00 177.43 179.73 1xr4 h GLN 346 N 0.18 0.00 0.00 6.67 4.20 -1.42 -3.36 115.11 121.38 1xr4 h GLN 346 Ca -0.01 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1xr4 h GLN 346 Cb 1.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 1xr4 h GLN 346 CO 0.10 0.00 -0.83 0.98 -0.67 0.00 0.00 178.83 178.41 1xr4 n TYR 347 N -2.54 0.83 -1.37 2.96 9.36 -0.39 0.39 117.16 126.39 1xr4 n TYR 347 Ca 0.04 0.36 0.00 0.00 3.32 0.00 0.00 57.90 61.62 1xr4 n TYR 347 Cb 0.47 -0.84 0.00 0.00 -0.63 0.00 0.00 39.34 38.34 1xr4 n TYR 347 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1xr4 n ALA 348 N -3.69 0.66 -2.08 2.98 0.00 0.24 -2.18 120.51 116.44 1xr4 n ALA 348 Ca -0.16 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1xr4 n ALA 348 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1xr4 n ALA 348 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1xr4 s ASN 349 N 0.00 6.73 0.46 0.00 2.47 -1.12 -4.03 114.94 119.46 1xr4 s ASN 349 Ca 0.00 2.33 0.16 0.00 0.42 0.00 0.00 52.86 55.78 1xr4 s ASN 349 Cb 0.00 -2.57 1.09 0.00 -1.45 0.00 0.00 41.25 38.32 1xr4 s ASN 349 CO 0.00 -0.78 2.02 -0.65 -3.72 0.00 0.00 177.10 173.97 1xr4 h PRO 350 N 7.76 0.00 -0.02 0.43 0.11 -1.83 -2.92 132.00 135.53 1xr4 h PRO 350 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1xr4 h PRO 350 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xr4 h PRO 350 CO 0.91 0.16 -0.19 0.00 -0.21 0.00 0.00 178.00 178.66 1xr4 n ALA 351 N -2.48 2.93 -1.69 -0.75 0.00 -1.26 -4.93 120.51 112.32 1xr4 n ALA 351 Ca -0.02 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 1xr4 n ALA 351 Cb 0.23 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1xr4 n ALA 351 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xr4 n SER 352 N 0.39 2.57 0.17 0.00 2.88 -1.10 -4.90 113.62 113.63 1xr4 n SER 352 Ca 0.13 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.95 1xr4 n SER 352 Cb 0.48 -1.48 0.60 0.00 -0.75 0.00 0.00 64.21 63.05 1xr4 n SER 352 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1xr4 h LYS 353 N 2.28 0.00 -0.70 -1.46 1.57 -1.89 -3.41 116.57 112.96 1xr4 h LYS 353 Ca -0.47 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.39 1xr4 h LYS 353 Cb 1.29 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.41 1xr4 h LYS 353 CO 0.61 0.00 -0.26 0.20 -0.57 0.00 0.00 179.45 179.43 1xr4 s GLY 354 N -3.65 -1.21 -0.26 3.86 0.00 -1.26 -5.13 107.32 99.67 1xr4 s GLY 354 Ca 0.01 1.22 -0.03 0.00 0.00 0.00 0.00 44.72 45.92 1xr4 s GLY 354 CO 0.33 3.88 -0.03 0.00 0.00 0.00 0.00 173.10 177.28 1xr4 s ALA 355 N 2.58 2.78 0.52 3.20 0.00 -1.26 -4.23 121.76 125.35 1xr4 s ALA 355 Ca 0.17 -1.44 0.28 0.00 0.00 0.00 0.00 51.96 50.97 1xr4 s ALA 355 Cb -0.05 -1.78 1.66 0.00 0.00 0.00 0.00 23.12 22.95 1xr4 s ALA 355 CO -0.20 -0.81 2.18 0.00 0.00 0.00 0.00 175.76 176.93 1xr4 h ALA 356 N 8.06 1.44 0.00 0.00 0.00 0.03 -2.41 119.26 126.38 1xr4 h ALA 356 Ca -0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xr4 h ALA 356 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xr4 h ALA 356 CO 0.58 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1xr4 n GLU 358 N -1.97 1.47 -0.27 0.00 2.13 -0.91 -3.02 120.64 118.08 1xr4 n GLU 358 Ca 0.00 -0.70 0.07 0.00 0.66 0.00 0.00 57.16 57.19 1xr4 n GLU 358 Cb 0.09 -1.44 0.10 0.00 0.27 0.00 0.00 31.44 30.47 1xr4 n GLU 358 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1xr4 n ARG 359 N -0.13 0.89 -3.25 5.31 1.74 -0.56 -4.86 116.66 115.80 1xr4 n ARG 359 Ca 0.19 -2.15 -0.39 0.00 -0.77 0.00 0.00 57.85 54.73 1xr4 n ARG 359 Cb 0.27 -1.18 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 1xr4 n ARG 359 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xr4 s LEU 360 N -1.99 4.25 0.03 0.55 1.43 -1.19 -4.72 118.68 117.03 1xr4 s LEU 360 Ca 0.23 0.84 -0.19 0.00 -1.03 0.00 0.00 54.13 53.97 1xr4 s LEU 360 Cb 0.21 -2.76 -0.18 0.00 0.03 0.00 0.00 46.19 43.49 1xr4 s LEU 360 CO 0.01 -0.07 1.22 0.78 0.23 0.00 0.00 176.35 178.52 1xr4 h ASN 361 N 6.93 0.50 -3.63 2.29 4.21 -1.89 -1.29 115.58 122.69 1xr4 h ASN 361 Ca -0.39 -0.63 -0.32 0.00 1.21 0.00 0.00 56.30 56.17 1xr4 h ASN 361 Cb 1.17 -0.15 -0.32 0.00 -1.12 0.00 0.00 38.32 37.91 1xr4 h ASN 361 CO 0.75 1.04 -0.75 -0.69 -1.29 0.00 0.00 177.43 176.50 1xr4 s VAL 362 N -3.73 0.22 0.00 2.81 1.01 -1.11 -1.10 120.40 118.50 1xr4 s VAL 362 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1xr4 s VAL 362 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.17 1xr4 s VAL 362 CO 0.79 0.12 0.00 0.55 0.00 0.00 0.00 175.10 176.56 1xr4 n VAL 363 N 3.67 0.00 -0.85 2.92 3.14 -0.42 -1.76 118.33 125.02 1xr4 n VAL 363 Ca -0.21 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 1xr4 n VAL 363 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 1xr4 n VAL 363 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1xr4 n LEU 365 N 0.00 0.00 0.00 6.55 4.77 -0.22 -1.09 117.00 127.01 1xr4 n LEU 365 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1xr4 n LEU 365 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1xr4 n LEU 365 CO 0.00 0.00 -0.07 -1.54 -1.33 0.00 0.00 177.39 174.45 1xr4 n SER 366 N 1.72 -0.34 -3.63 -1.43 3.41 -1.26 -1.73 113.62 110.36 1xr4 n SER 366 Ca 0.00 -2.47 -0.14 0.00 -0.26 0.00 0.00 58.87 55.99 1xr4 n SER 366 Cb 0.00 1.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.97 1xr4 n SER 366 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xr4 s ALA 367 N -2.90 -1.71 -0.06 7.33 0.00 -1.26 -4.90 121.76 118.27 1xr4 s ALA 367 Ca 0.26 1.90 -0.25 0.00 0.00 0.00 0.00 51.96 53.87 1xr4 s ALA 367 Cb 0.01 -1.05 -0.24 0.00 0.00 0.00 0.00 23.12 21.85 1xr4 s ALA 367 CO 0.18 -0.33 1.01 -0.07 0.00 0.00 0.00 175.76 176.56 1xr4 h LEU 368 N 4.90 0.20 -8.19 0.00 3.38 -1.59 -3.48 115.31 110.53 1xr4 h LEU 368 Ca -0.29 -0.79 -0.12 0.00 0.09 0.00 0.00 57.88 56.78 1xr4 h LEU 368 Cb 1.16 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 1xr4 h LEU 368 CO 0.09 0.96 -0.35 -1.83 0.09 0.00 0.00 178.44 177.40 1xr4 s GLU 369 N -3.08 1.19 -0.15 1.13 -1.05 -0.96 -4.64 118.70 111.13 1xr4 s GLU 369 Ca -0.16 -1.25 -0.11 0.00 -0.15 0.00 0.00 54.97 53.29 1xr4 s GLU 369 Cb 0.01 0.37 0.05 0.00 -0.44 0.00 0.00 34.13 34.11 1xr4 s GLU 369 CO 0.74 -0.44 0.39 -1.50 0.95 0.00 0.00 175.26 175.40 1xr4 s ILE 370 N -4.00 -0.01 0.54 1.83 2.07 -0.25 -1.40 121.20 119.96 1xr4 s ILE 370 Ca 0.21 0.05 0.08 0.00 -1.41 0.00 0.00 60.65 59.58 1xr4 s ILE 370 Cb 0.03 -0.57 0.08 0.00 0.13 0.00 0.00 42.46 42.14 1xr4 s ILE 370 CO 0.03 0.02 0.68 -0.90 -1.91 0.00 0.00 174.94 172.86 1xr4 n ASP 371 N 3.59 2.10 0.10 4.50 5.68 -0.55 -1.81 116.55 130.15 1xr4 n ASP 371 Ca -0.19 -2.50 0.09 0.00 -0.50 0.00 0.00 54.79 51.69 1xr4 n ASP 371 Cb 0.56 -0.33 0.41 0.00 -1.14 0.00 0.00 41.12 40.62 1xr4 n ASP 371 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1xr4 n VAL 372 N -2.09 1.16 1.53 2.12 0.24 -0.85 -0.20 118.33 120.24 1xr4 n VAL 372 Ca 0.12 0.48 0.14 0.00 -2.04 0.00 0.00 64.34 63.04 1xr4 n VAL 372 Cb 0.56 -1.42 0.55 0.00 -1.47 0.00 0.00 33.84 32.07 1xr4 n VAL 372 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1xr4 n ASN 373 N -2.00 1.39 0.00 -1.34 5.03 -1.26 -4.91 115.26 112.16 1xr4 n ASN 373 Ca 0.01 -1.47 0.00 0.00 0.87 0.00 0.00 54.58 53.99 1xr4 n ASN 373 Cb 0.10 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.86 1xr4 n ASN 373 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1xr4 n PHE 374 N 0.09 0.00 -1.76 3.10 3.72 0.72 -4.12 117.46 119.22 1xr4 n PHE 374 Ca 0.19 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.19 1xr4 n PHE 374 Cb 0.34 -0.84 0.02 0.00 -0.94 0.00 0.00 39.48 38.05 1xr4 n PHE 374 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1xr4 n ASN 375 N -0.32 3.26 -4.16 4.37 3.02 -1.26 -3.72 115.26 116.45 1xr4 n ASN 375 Ca 0.00 1.11 -0.28 0.00 -0.03 0.00 0.00 54.58 55.38 1xr4 n ASN 375 Cb 0.16 -1.60 -0.16 0.00 -0.61 0.00 0.00 39.78 37.57 1xr4 n ASN 375 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xr4 s VAL 376 N -1.20 1.64 -0.23 2.41 1.01 0.25 -1.49 120.40 122.79 1xr4 s VAL 376 Ca 0.62 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1xr4 s VAL 376 Cb -0.45 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1xr4 s VAL 376 CO 0.57 0.46 0.08 0.21 0.00 0.00 0.00 175.10 176.42 1xr4 s ASN 377 N 0.13 5.39 -0.35 3.32 2.47 -0.50 -1.13 114.94 124.28 1xr4 s ASN 377 Ca -0.08 -0.08 0.12 0.00 0.42 0.00 0.00 52.86 53.24 1xr4 s ASN 377 Cb -0.14 -1.95 0.45 0.00 -1.45 0.00 0.00 41.25 38.16 1xr4 s ASN 377 CO 0.04 0.05 1.07 1.33 -3.72 0.00 0.00 177.10 175.86 1xr4 n VAL 378 N 4.40 1.77 -0.77 -5.21 0.24 -1.26 -1.40 118.33 116.10 1xr4 n VAL 378 Ca -0.16 -3.89 -0.25 0.00 -2.04 0.00 0.00 64.34 57.99 1xr4 n VAL 378 Cb 0.52 -0.22 -0.01 0.00 -1.47 0.00 0.00 33.84 32.66 1xr4 n VAL 378 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xr4 n THR 380 N -0.39 0.69 -1.68 3.34 -2.24 -1.26 -1.70 114.28 111.03 1xr4 n THR 380 Ca 0.25 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1xr4 n THR 380 Cb 0.78 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 69.09 1xr4 n THR 380 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xr4 n GLY 381 N 1.26 -0.70 0.26 3.38 0.00 -0.67 -4.88 105.19 103.84 1xr4 n GLY 381 Ca 0.08 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.46 1xr4 n GLY 381 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xr4 h SER 382 N -0.58 0.00 -0.13 1.61 4.64 -1.96 -0.05 113.55 117.08 1xr4 h SER 382 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1xr4 h SER 382 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1xr4 h SER 382 CO 0.13 0.12 0.00 -0.46 -0.87 0.00 0.00 176.83 175.75 1xr4 n ASN 383 N -3.50 1.39 0.00 4.97 0.23 -1.26 -4.95 115.26 112.14 1xr4 n ASN 383 Ca -0.01 -1.64 0.00 0.00 -0.53 0.00 0.00 54.58 52.40 1xr4 n ASN 383 Cb 0.27 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 1xr4 n ASN 383 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xr4 n GLY 384 N 1.08 0.71 3.83 4.83 0.00 -0.03 -4.96 105.19 110.64 1xr4 n GLY 384 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1xr4 n GLY 384 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xr4 s VAL 385 N -2.79 4.64 -0.22 1.61 1.01 -1.26 -4.74 120.40 118.65 1xr4 s VAL 385 Ca 0.00 1.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.83 1xr4 s VAL 385 Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1xr4 s VAL 385 CO 0.00 0.16 1.80 -0.76 0.00 0.00 0.00 175.10 176.30 1xr4 s LEU 386 N -2.12 3.77 -0.46 3.92 1.43 -1.26 -1.67 118.68 122.30 1xr4 s LEU 386 Ca 0.44 1.69 0.04 0.00 -1.03 0.00 0.00 54.13 55.27 1xr4 s LEU 386 Cb -0.15 -3.53 0.23 0.00 0.03 0.00 0.00 46.19 42.77 1xr4 s LEU 386 CO 0.20 -1.47 0.92 -1.14 0.23 0.00 0.00 176.35 175.10 1xr4 n ARG 387 N 8.03 0.56 -3.12 1.70 3.00 -1.18 -3.87 116.66 121.77 1xr4 n ARG 387 Ca 0.22 -1.56 0.00 0.00 -0.00 0.00 0.00 57.85 56.51 1xr4 n ARG 387 Cb 0.45 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.77 1xr4 n ARG 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xr4 n GLY 388 N 2.02 -0.95 3.55 5.14 0.00 -0.73 -4.48 105.19 109.73 1xr4 n GLY 388 Ca 0.10 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1xr4 n GLY 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr4 s ALA 389 N -1.00 -1.60 -0.02 4.61 0.00 -0.69 -1.85 121.76 121.21 1xr4 s ALA 389 Ca 0.00 1.89 -0.17 0.00 0.00 0.00 0.00 51.96 53.68 1xr4 s ALA 389 Cb 0.00 -1.10 -0.09 0.00 0.00 0.00 0.00 23.12 21.93 1xr4 s ALA 389 CO 0.00 -0.31 0.74 1.03 0.00 0.00 0.00 175.76 177.22 1xr4 h SER 390 N 5.52 -0.51 0.00 0.00 0.87 -1.19 -3.45 113.55 114.78 1xr4 h SER 390 Ca -0.29 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1xr4 h SER 390 Cb 1.18 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1xr4 h SER 390 CO 0.12 -0.14 0.00 0.61 -0.53 0.00 0.00 176.83 176.89 1xr4 n GLY 391 N 0.13 0.28 1.88 5.77 0.00 -1.26 -3.03 105.19 108.95 1xr4 n GLY 391 Ca -0.08 -0.92 0.07 0.00 0.00 0.00 0.00 46.02 45.09 1xr4 n GLY 391 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xr4 n GLY 392 N 0.00 3.02 0.44 -0.02 0.00 -1.26 0.82 105.19 108.19 1xr4 n GLY 392 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.92 1xr4 n GLY 392 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1xr4 h HIS 393 N 3.97 -1.09 0.00 1.61 6.17 -1.92 0.27 115.15 124.16 1xr4 h HIS 393 Ca 0.00 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.05 1xr4 h HIS 393 Cb 1.98 0.38 -0.00 0.00 2.52 0.00 0.00 27.41 32.28 1xr4 h HIS 393 CO 1.09 -0.63 -0.05 0.66 0.71 0.00 0.00 177.93 179.71 1xr4 h SER 394 N -1.04 0.00 0.08 3.26 4.64 -1.81 -1.94 113.55 116.73 1xr4 h SER 394 Ca -0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1xr4 h SER 394 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1xr4 h SER 394 CO 0.12 0.05 -0.04 0.44 -0.87 0.00 0.00 176.83 176.53 1xr4 h ASP 395 N 0.00 -0.09 0.07 4.97 3.32 -1.71 -2.60 116.42 120.38 1xr4 h ASP 395 Ca -0.00 -0.52 -0.10 0.00 0.02 0.00 0.00 57.03 56.43 1xr4 h ASP 395 Cb 0.43 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1xr4 h ASP 395 CO 0.01 0.57 -0.32 0.71 -1.72 0.00 0.00 179.24 178.48 1xr4 h THR 396 N -0.84 1.28 -0.35 0.35 1.35 -0.45 -2.26 112.91 111.98 1xr4 h THR 396 Ca -0.01 -1.36 -0.01 0.00 -0.55 0.00 0.00 66.41 64.48 1xr4 h THR 396 Cb 0.60 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 1xr4 h THR 396 CO 0.02 0.42 0.20 0.00 -0.25 0.00 0.00 175.52 175.90 1xr4 h ALA 397 N 1.34 0.45 0.00 6.62 0.00 -1.44 0.04 119.26 126.27 1xr4 h ALA 397 Ca 0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1xr4 h ALA 397 Cb 0.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1xr4 h ALA 397 CO 0.06 -0.04 -0.42 0.00 0.00 0.00 0.00 179.25 178.84 1xr4 h ALA 398 N 1.07 1.24 0.00 0.00 0.00 -1.26 -3.27 119.26 117.03 1xr4 h ALA 398 Ca 0.12 -0.39 -0.25 0.00 0.00 0.00 0.00 54.91 54.40 1xr4 h ALA 398 Cb 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1xr4 h ALA 398 CO -0.02 0.53 -1.84 0.41 0.00 0.00 0.00 179.25 178.33 1xr4 n GLY 399 N -0.23 -1.06 3.77 0.00 0.00 -0.87 -4.95 105.19 101.85 1xr4 n GLY 399 Ca -0.02 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1xr4 n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr4 s ALA 400 N -2.75 3.25 0.32 4.61 0.00 -0.03 -4.31 121.76 122.86 1xr4 s ALA 400 Ca -0.06 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.70 1xr4 s ALA 400 Cb 0.08 -3.30 0.54 0.00 0.00 0.00 0.00 23.12 20.44 1xr4 s ALA 400 CO 0.83 -0.17 1.95 -0.44 0.00 0.00 0.00 175.76 177.93 1xr4 h ASP 401 N 3.20 0.77 -3.26 0.00 3.32 -1.28 -3.42 116.42 115.74 1xr4 h ASP 401 Ca -0.47 -0.06 -0.33 0.00 0.02 0.00 0.00 57.03 56.19 1xr4 h ASP 401 Cb 1.21 -0.19 -0.37 0.00 0.22 0.00 0.00 39.33 40.20 1xr4 h ASP 401 CO 0.65 0.62 -0.70 -0.22 -1.72 0.00 0.00 179.24 177.87 1xr4 s LEU 402 N -9.63 0.17 -0.16 1.55 2.96 -0.26 -5.01 118.68 108.30 1xr4 s LEU 402 Ca -0.10 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1xr4 s LEU 402 Cb 0.17 0.02 -0.01 0.00 0.50 0.00 0.00 46.19 46.87 1xr4 s LEU 402 CO 0.78 -0.23 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.56 1xr4 s THR 403 N 2.07 2.93 -0.13 3.68 2.01 -1.26 -1.30 115.64 123.65 1xr4 s THR 403 Ca 0.03 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1xr4 s THR 403 Cb -0.12 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.14 1xr4 s THR 403 CO -0.04 0.50 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.55 1xr4 s ILE 404 N 0.85 1.91 -0.18 1.82 1.01 -0.25 -1.71 121.20 124.64 1xr4 s ILE 404 Ca -0.04 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.61 1xr4 s ILE 404 Cb -0.15 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 1xr4 s ILE 404 CO 0.00 0.52 0.17 -0.63 0.00 0.00 0.00 174.94 175.00 1xr4 s ILE 405 N 0.80 5.39 -0.15 2.92 -1.09 0.11 -1.06 121.20 128.12 1xr4 s ILE 405 Ca -0.08 0.28 0.02 0.00 -2.23 0.00 0.00 60.65 58.63 1xr4 s ILE 405 Cb -0.16 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1xr4 s ILE 405 CO -0.00 0.46 -0.21 0.42 -1.23 0.00 0.00 174.94 174.38 1xr4 s THR 406 N 0.17 2.13 -0.13 2.92 -4.23 -0.71 -0.06 115.64 115.74 1xr4 s THR 406 Ca 0.11 -0.94 -0.24 0.00 -1.18 0.00 0.00 61.69 59.44 1xr4 s THR 406 Cb -0.12 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 71.91 1xr4 s THR 406 CO 0.00 0.54 0.59 0.00 -0.54 0.00 0.00 174.62 175.21 1xr4 s ALA 407 N 0.97 -1.48 0.70 3.99 0.00 -1.01 -4.30 121.76 120.63 1xr4 s ALA 407 Ca -0.03 1.36 -0.17 0.00 0.00 0.00 0.00 51.96 53.12 1xr4 s ALA 407 Cb -0.15 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1xr4 s ALA 407 CO -0.05 -0.31 1.23 -0.35 0.00 0.00 0.00 175.76 176.28 1xr4 n PRO 408 N 1.88 0.81 -0.01 0.00 -0.04 -1.26 -4.09 135.00 132.29 1xr4 n PRO 408 Ca -0.17 0.34 0.03 0.00 -0.04 0.00 0.00 63.50 63.66 1xr4 n PRO 408 Cb 0.56 -2.47 0.38 0.00 -0.04 0.00 0.00 33.50 31.94 1xr4 n PRO 408 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1xr4 h LEU 409 N 0.09 0.50 -7.63 1.53 5.85 -1.94 -3.42 115.31 110.29 1xr4 h LEU 409 Ca -0.49 -0.03 -0.21 0.00 0.84 0.00 0.00 57.88 57.98 1xr4 h LEU 409 Cb 1.33 -0.13 -0.28 0.00 0.37 0.00 0.00 40.66 41.96 1xr4 h LEU 409 CO 0.51 0.41 -0.62 -0.69 -0.34 0.00 0.00 178.44 177.71 1xr4 s VAL 410 N -5.39 -0.00 -0.49 1.05 1.01 -1.26 -1.63 120.40 113.68 1xr4 s VAL 410 Ca -0.08 0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1xr4 s VAL 410 Cb 0.17 -0.14 0.13 0.00 0.00 0.00 0.00 36.38 36.54 1xr4 s VAL 410 CO 0.74 0.01 0.25 -0.13 0.00 0.00 0.00 175.10 175.97 1xr4 s ARG 411 N 0.14 2.01 7.04 2.72 0.52 0.12 -4.93 118.95 126.57 1xr4 s ARG 411 Ca -0.01 -2.36 0.00 0.00 -0.52 0.00 0.00 55.73 52.85 1xr4 s ARG 411 Cb -0.02 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 32.03 1xr4 s ARG 411 CO -0.00 -1.08 0.00 0.41 0.02 0.00 0.00 175.30 174.64 1xr4 n GLY 412 N 3.60 2.64 0.24 -3.53 0.00 -1.26 -1.80 105.19 105.08 1xr4 n GLY 412 Ca 0.05 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.29 1xr4 n GLY 412 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xr4 n ARG 413 N 6.96 0.95 -3.77 1.61 5.12 -1.26 -4.93 116.66 121.34 1xr4 n ARG 413 Ca 0.00 -0.48 -0.36 0.00 -1.93 0.00 0.00 57.85 55.08 1xr4 n ARG 413 Cb 0.00 -1.49 -0.12 0.00 -1.16 0.00 0.00 32.46 29.68 1xr4 n ARG 413 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xr4 s ILE 414 N -2.38 4.30 0.31 0.55 1.01 -0.74 -4.82 121.20 119.42 1xr4 s ILE 414 Ca 0.29 -0.18 -0.28 0.00 0.00 0.00 0.00 60.65 60.48 1xr4 s ILE 414 Cb 0.20 -3.01 -0.09 0.00 0.01 0.00 0.00 42.46 39.57 1xr4 s ILE 414 CO 0.47 0.35 1.09 -2.16 0.00 0.00 0.00 174.94 174.68 1xr4 s PRO 415 N 1.57 4.51 -0.05 2.79 0.04 -1.26 0.16 135.00 142.76 1xr4 s PRO 415 Ca 0.06 1.73 0.07 0.00 0.04 0.00 0.00 61.00 62.90 1xr4 s PRO 415 Cb -0.15 -3.02 -0.24 0.00 0.04 0.00 0.00 34.50 31.13 1xr4 s PRO 415 CO 0.03 0.12 0.63 0.00 0.04 0.00 0.00 177.00 177.82 1xr4 s VAL 417 N -2.59 5.05 0.33 0.00 1.01 -1.25 -1.10 120.40 121.85 1xr4 s VAL 417 Ca -0.09 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.64 1xr4 s VAL 417 Cb 0.08 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 1xr4 s VAL 417 CO 0.81 -0.01 0.05 0.68 0.00 0.00 0.00 175.10 176.63 1xr4 s VAL 418 N 2.35 1.23 0.10 2.92 -7.23 -0.75 -4.69 120.40 114.34 1xr4 s VAL 418 Ca 0.20 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.15 1xr4 s VAL 418 Cb -0.15 -2.79 -0.11 0.00 0.56 0.00 0.00 36.38 33.88 1xr4 s VAL 418 CO 0.11 -0.01 1.75 -0.33 -0.31 0.00 0.00 175.10 176.30 1xr4 h GLU 419 N 2.11 0.10 -2.54 4.82 5.08 -1.93 -2.25 114.58 119.96 1xr4 h GLU 419 Ca -0.41 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 57.85 1xr4 h GLU 419 Cb 1.24 -0.02 -0.27 0.00 0.50 0.00 0.00 28.75 30.20 1xr4 h GLU 419 CO 0.70 0.07 -0.31 0.21 -1.00 0.00 0.00 179.01 178.68 1xr4 s LYS 420 N -6.18 0.38 0.59 2.33 2.20 -1.26 -3.69 119.74 114.11 1xr4 s LYS 420 Ca -0.13 0.94 -0.18 0.00 -0.36 0.00 0.00 55.97 56.23 1xr4 s LYS 420 Cb 0.07 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 1xr4 s LYS 420 CO 0.67 -0.20 1.15 0.14 -0.36 0.00 0.00 175.35 176.76 1xr4 s VAL 421 N 1.99 2.96 0.27 4.02 -7.23 -1.26 -4.96 120.40 116.19 1xr4 s VAL 421 Ca -0.06 0.56 -0.03 0.00 -1.81 0.00 0.00 61.98 60.64 1xr4 s VAL 421 Cb -0.10 -3.18 0.19 0.00 0.56 0.00 0.00 36.38 33.85 1xr4 s VAL 421 CO -0.13 -0.17 1.85 -0.07 -0.31 0.00 0.00 175.10 176.27 1xr4 h LEU 422 N 0.78 0.91 -7.38 1.32 3.38 -1.95 -3.43 115.31 108.94 1xr4 h LEU 422 Ca -0.49 -0.12 -0.32 0.00 0.09 0.00 0.00 57.88 57.04 1xr4 h LEU 422 Cb 1.27 -0.24 -0.36 0.00 0.09 0.00 0.00 40.66 41.43 1xr4 h LEU 422 CO 0.55 0.80 -0.70 -0.89 0.09 0.00 0.00 178.44 178.30 1xr4 s THR 423 N -5.50 -0.11 -0.15 0.22 2.01 -1.26 -5.02 115.64 105.83 1xr4 s THR 423 Ca -0.11 0.31 -0.23 0.00 0.31 0.00 0.00 61.69 61.97 1xr4 s THR 423 Cb 0.16 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.48 1xr4 s THR 423 CO 0.81 0.13 0.72 -0.89 -0.69 0.00 0.00 174.62 174.70 1xr4 s THR 424 N 1.71 4.99 -0.08 -0.82 2.01 -1.26 -3.62 115.64 118.56 1xr4 s THR 424 Ca -0.02 1.41 -0.07 0.00 0.31 0.00 0.00 61.69 63.33 1xr4 s THR 424 Cb -0.12 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1xr4 s THR 424 CO -0.04 0.13 -0.15 0.52 -0.69 0.00 0.00 174.62 174.39 1xr4 n VAL 425 N 4.40 0.93 -3.95 3.82 0.31 -0.28 -4.44 118.33 119.12 1xr4 n VAL 425 Ca 0.01 0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 64.00 1xr4 n VAL 425 Cb 0.50 -1.76 -0.13 0.00 -0.91 0.00 0.00 33.84 31.54 1xr4 n VAL 425 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1xr4 s THR 426 N -2.29 3.87 0.38 2.52 2.01 -1.00 -4.83 115.64 116.30 1xr4 s THR 426 Ca -0.15 -0.33 -0.26 0.00 0.31 0.00 0.00 61.69 61.26 1xr4 s THR 426 Cb 0.05 -2.77 -0.09 0.00 0.01 0.00 0.00 72.50 69.70 1xr4 s THR 426 CO 0.20 0.40 1.11 -2.16 -0.69 0.00 0.00 174.62 173.48 1xr4 s PRO 427 N 1.29 4.21 0.56 4.92 0.04 -1.26 -0.58 135.00 144.18 1xr4 s PRO 427 Ca 0.04 1.71 0.26 0.00 0.04 0.00 0.00 61.00 63.04 1xr4 s PRO 427 Cb -0.15 -2.73 1.52 0.00 0.04 0.00 0.00 34.50 33.19 1xr4 s PRO 427 CO 0.01 -0.14 2.07 0.78 0.04 0.00 0.00 177.00 179.76 1xr4 h GLY 428 N 2.82 0.00 2.00 0.56 0.00 -1.71 -1.98 103.07 104.76 1xr4 h GLY 428 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1xr4 h GLY 428 CO 0.63 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.17 1xr4 h ALA 429 N 1.79 1.00 -0.12 3.60 0.00 -1.88 -1.19 119.26 122.46 1xr4 h ALA 429 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xr4 h ALA 429 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xr4 h ALA 429 CO -0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1xr4 n SER 430 N -2.95 2.37 -4.61 0.00 3.41 -0.75 -4.90 113.62 106.19 1xr4 n SER 430 Ca -0.02 -1.67 -0.37 0.00 -0.26 0.00 0.00 58.87 56.55 1xr4 n SER 430 Cb 0.13 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 63.91 1xr4 n SER 430 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xr4 s VAL 431 N -1.09 5.28 -0.25 -3.33 1.01 -0.45 -4.60 120.40 116.96 1xr4 s VAL 431 Ca 0.19 0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 1xr4 s VAL 431 Cb 0.12 -3.49 -0.16 0.00 0.00 0.00 0.00 36.38 32.85 1xr4 s VAL 431 CO 0.17 0.29 -0.24 0.47 0.00 0.00 0.00 175.10 175.80 1xr4 n ASP 432 N 4.77 2.03 -3.80 3.32 8.00 -0.96 -4.63 116.55 125.28 1xr4 n ASP 432 Ca -0.14 -0.08 -0.13 0.00 0.71 0.00 0.00 54.79 55.15 1xr4 n ASP 432 Cb 0.52 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 1xr4 n ASP 432 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xr4 s VAL 433 N -2.50 -0.01 -0.19 2.53 1.01 -0.70 -0.33 120.40 120.22 1xr4 s VAL 433 Ca -0.34 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1xr4 s VAL 433 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 1xr4 s VAL 433 CO 0.57 0.01 -0.08 -0.22 0.00 0.00 0.00 175.10 175.37 1xr4 s LEU 434 N 0.25 2.79 -0.17 3.92 2.96 0.71 0.07 118.68 129.21 1xr4 s LEU 434 Ca -0.01 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1xr4 s LEU 434 Cb -0.03 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 1xr4 s LEU 434 CO -0.01 0.05 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.28 1xr4 s VAL 435 N 1.06 3.14 0.27 1.68 1.01 0.92 -1.09 120.40 127.40 1xr4 s VAL 435 Ca 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1xr4 s VAL 435 Cb -0.15 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1xr4 s VAL 435 CO -0.01 0.49 0.07 0.35 0.00 0.00 0.00 175.10 175.99 1xr4 n THR 436 N 4.06 0.00 1.41 3.92 -2.24 -0.88 -2.41 114.28 118.14 1xr4 n THR 436 Ca -0.18 -1.49 0.14 0.00 -2.27 0.00 0.00 64.05 60.25 1xr4 n THR 436 Cb 0.52 0.47 0.67 0.00 -2.10 0.00 0.00 70.33 69.88 1xr4 n THR 436 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xr4 n ASP 437 N -1.57 0.28 -0.45 3.42 5.75 -1.26 -3.43 116.55 119.28 1xr4 n ASP 437 Ca -0.06 -0.40 0.06 0.00 -0.01 0.00 0.00 54.79 54.38 1xr4 n ASP 437 Cb 0.39 -0.15 0.04 0.00 -1.03 0.00 0.00 41.12 40.37 1xr4 n ASP 437 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1xr4 n HIS 438 N -1.10 0.00 0.00 2.11 8.25 -1.26 -5.02 115.22 118.20 1xr4 n HIS 438 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1xr4 n HIS 438 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1xr4 n HIS 438 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xr4 n GLY 439 N 0.69 2.97 3.78 -1.41 0.00 -1.22 -5.06 105.19 104.94 1xr4 n GLY 439 Ca 0.07 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 1xr4 n GLY 439 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xr4 s ILE 440 N -1.95 4.84 -0.03 -0.61 1.01 -1.26 -2.08 121.20 121.12 1xr4 s ILE 440 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1xr4 s ILE 440 Cb 0.00 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.38 1xr4 s ILE 440 CO 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 174.94 175.46 1xr4 s ALA 441 N -1.02 0.43 -0.11 9.38 0.00 -0.25 -4.60 121.76 125.60 1xr4 s ALA 441 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 1xr4 s ALA 441 Cb -0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1xr4 s ALA 441 CO 0.06 -0.01 -0.06 0.08 0.00 0.00 0.00 175.76 175.83 1xr4 s VAL 442 N 0.75 3.75 -0.08 0.00 1.01 -1.26 -0.21 120.40 124.36 1xr4 s VAL 442 Ca -0.08 -0.43 -0.35 0.00 0.00 0.00 0.00 61.98 61.11 1xr4 s VAL 442 Cb -0.12 -2.59 -0.12 0.00 0.00 0.00 0.00 36.38 33.55 1xr4 s VAL 442 CO -0.01 0.55 1.83 -3.20 0.00 0.00 0.00 175.10 174.27 1xr4 n ASN 443 N 2.87 3.27 0.00 3.32 2.85 0.55 -4.80 115.26 123.32 1xr4 n ASN 443 Ca -0.18 1.00 0.02 0.00 -0.11 0.00 0.00 54.58 55.31 1xr4 n ASN 443 Cb 0.53 -1.35 0.08 0.00 1.24 0.00 0.00 39.78 40.28 1xr4 n ASN 443 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1xr4 n PRO 444 N 6.12 0.07 0.06 1.20 -0.04 -1.26 -0.63 135.00 140.52 1xr4 n PRO 444 Ca 0.22 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1xr4 n PRO 444 Cb 0.27 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.73 1xr4 n PRO 444 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xr4 n ALA 445 N -1.17 2.30 -3.14 0.55 0.00 -1.26 -4.36 120.51 113.43 1xr4 n ALA 445 Ca 0.02 -0.06 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 1xr4 n ALA 445 Cb 0.02 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 1xr4 n ALA 445 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xr4 n ARG 446 N -1.95 3.91 -0.20 0.00 5.12 0.20 -4.85 116.66 118.89 1xr4 n ARG 446 Ca 0.06 -4.58 -0.03 0.00 -1.93 0.00 0.00 57.85 51.37 1xr4 n ARG 446 Cb 0.39 -2.45 0.17 0.00 -1.16 0.00 0.00 32.46 29.42 1xr4 n ARG 446 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 1xr4 h GLN 447 N 5.20 0.97 -0.41 5.56 5.75 -1.82 -1.81 115.11 128.54 1xr4 h GLN 447 Ca 0.20 -0.15 0.08 0.00 -0.15 0.00 0.00 58.65 58.62 1xr4 h GLN 447 Cb 0.64 -0.17 -0.07 0.00 1.07 0.00 0.00 27.48 28.95 1xr4 h GLN 447 CO 1.19 0.78 -0.02 0.38 -2.65 0.00 0.00 178.83 178.51 1xr4 h ASP 448 N 0.96 -0.22 -0.55 -0.69 3.04 -1.97 -1.61 116.42 115.38 1xr4 h ASP 448 Ca 0.23 0.10 0.01 0.00 -3.24 0.00 0.00 57.03 54.13 1xr4 h ASP 448 Cb 0.16 0.19 -0.03 0.00 -1.04 0.00 0.00 39.33 38.61 1xr4 h ASP 448 CO -0.02 -0.07 0.35 -0.07 -2.04 0.00 0.00 179.24 177.39 1xr4 h LEU 449 N 0.08 0.60 -0.08 0.15 4.07 -1.70 -2.08 115.31 116.34 1xr4 h LEU 449 Ca 0.20 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.16 1xr4 h LEU 449 Cb 0.30 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1xr4 h LEU 449 CO -0.36 0.43 0.03 -0.07 -1.08 0.00 0.00 178.44 177.39 1xr4 h LEU 450 N 0.71 0.04 -0.45 1.67 3.38 -1.03 -1.09 115.31 118.54 1xr4 h LEU 450 Ca 0.21 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1xr4 h LEU 450 Cb -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1xr4 h LEU 450 CO -0.06 0.03 0.27 0.44 0.09 0.00 0.00 178.44 179.21 1xr4 h ASP 451 N 0.07 0.44 -0.47 -0.43 3.32 -1.24 -0.89 116.42 117.22 1xr4 h ASP 451 Ca 0.03 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1xr4 h ASP 451 Cb 0.02 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1xr4 h ASP 451 CO -0.03 0.32 -0.02 0.78 -1.72 0.00 0.00 179.24 178.57 1xr4 h ASN 452 N 0.54 0.82 0.65 6.45 4.21 -1.25 -0.64 115.58 126.36 1xr4 h ASN 452 Ca 0.18 -0.32 -0.18 0.00 1.21 0.00 0.00 56.30 57.19 1xr4 h ASN 452 Cb -0.00 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 36.96 1xr4 h ASN 452 CO -0.07 0.94 -0.80 -0.07 -1.29 0.00 0.00 177.43 176.13 1xr4 h LEU 453 N 0.69 0.14 0.25 1.61 3.38 -1.13 -2.48 115.31 117.77 1xr4 h LEU 453 Ca 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xr4 h LEU 453 Cb 0.53 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1xr4 h LEU 453 CO 0.03 0.88 -0.12 0.03 0.09 0.00 0.00 178.44 179.35 1xr4 h ARG 454 N 0.07 -0.33 -0.90 1.13 3.08 -1.13 0.25 114.38 116.54 1xr4 h ARG 454 Ca -0.02 0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.28 1xr4 h ARG 454 Cb 1.40 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.47 1xr4 h ARG 454 CO 0.11 0.01 0.62 0.00 -1.07 0.00 0.00 179.97 179.64 1xr4 h ALA 455 N -0.12 2.54 -0.13 0.04 0.00 -1.15 0.17 119.26 120.61 1xr4 h ALA 455 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xr4 h ALA 455 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xr4 h ALA 455 CO 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 179.25 178.49 1xr4 n ALA 456 N -2.62 2.54 -2.89 0.00 0.00 -0.94 -4.92 120.51 111.68 1xr4 n ALA 456 Ca 0.19 -0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 1xr4 n ALA 456 Cb 0.84 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 19.20 1xr4 n ALA 456 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xr4 n GLY 457 N 1.10 0.19 3.65 0.00 0.00 0.58 -5.01 105.19 105.71 1xr4 n GLY 457 Ca 0.16 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1xr4 n GLY 457 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xr4 s VAL 458 N -3.05 5.02 0.16 1.61 1.01 0.06 -5.03 120.40 120.18 1xr4 s VAL 458 Ca 0.24 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 63.07 1xr4 s VAL 458 Cb -0.10 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1xr4 s VAL 458 CO 0.29 0.10 1.26 0.00 0.00 0.00 0.00 175.10 176.75 1xr4 s ALA 459 N 2.03 3.48 0.00 5.51 0.00 -1.26 -4.46 121.76 127.05 1xr4 s ALA 459 Ca 0.28 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1xr4 s ALA 459 Cb -0.16 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1xr4 s ALA 459 CO 0.10 -0.46 0.00 1.28 0.00 0.00 0.00 175.76 176.68 1xr4 n LEU 460 N 2.94 0.00 -4.96 0.00 4.77 -1.26 -4.49 117.00 114.01 1xr4 n LEU 460 Ca 0.06 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.81 1xr4 n LEU 460 Cb 0.44 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1xr4 n LEU 460 CO 0.57 0.00 -0.02 0.42 -1.33 0.00 0.00 177.39 177.03 1xr4 s THR 462 N -0.12 5.25 -0.06 -5.08 -4.23 -1.26 -4.93 115.64 105.21 1xr4 s THR 462 Ca 0.00 -0.79 0.31 0.00 -1.18 0.00 0.00 61.69 60.03 1xr4 s THR 462 Cb 0.00 -3.82 0.36 0.00 1.34 0.00 0.00 72.50 70.37 1xr4 s THR 462 CO 0.00 -0.29 1.91 -0.29 -0.54 0.00 0.00 174.62 175.41 1xr4 h ILE 463 N 1.26 0.00 -0.13 2.99 2.10 -1.92 -2.75 117.51 119.05 1xr4 h ILE 463 Ca -0.50 -0.45 -0.19 0.00 1.08 0.00 0.00 64.86 64.79 1xr4 h ILE 463 Cb 1.22 1.38 0.01 0.00 -1.09 0.00 0.00 36.82 38.34 1xr4 h ILE 463 CO 0.63 0.00 -0.66 -0.33 -1.08 0.00 0.00 178.15 176.71 1xr4 h GLU 464 N 0.00 0.67 -0.53 2.19 3.07 -1.98 -0.28 114.58 117.73 1xr4 h GLU 464 Ca 0.00 -0.55 0.09 0.00 -0.50 0.00 0.00 59.36 58.39 1xr4 h GLU 464 Cb 0.49 0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.44 1xr4 h GLU 464 CO 0.00 1.17 0.14 1.96 -1.40 0.00 0.00 179.01 180.88 1xr4 h GLN 465 N 0.35 0.29 -0.37 2.33 4.20 -1.93 -0.77 115.11 119.20 1xr4 h GLN 465 Ca -0.05 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 1xr4 h GLN 465 Cb 1.30 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 1xr4 h GLN 465 CO 0.14 0.19 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.33 1xr4 h LEU 466 N 0.29 0.73 -0.26 1.46 3.38 -1.50 -1.76 115.31 117.66 1xr4 h LEU 466 Ca 0.26 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1xr4 h LEU 466 Cb 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1xr4 h LEU 466 CO -0.31 0.92 0.02 -0.61 0.09 0.00 0.00 178.44 178.55 1xr4 h GLN 467 N 0.52 0.10 -0.57 1.13 -0.00 -0.79 0.97 115.11 116.47 1xr4 h GLN 467 Ca 0.09 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.70 1xr4 h GLN 467 Cb 0.60 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.04 1xr4 h GLN 467 CO 0.04 0.07 0.19 1.96 0.00 0.00 0.00 178.83 181.08 1xr4 h GLN 468 N 0.11 0.87 -0.83 1.69 4.20 -1.15 0.22 115.11 120.22 1xr4 h GLN 468 Ca 0.12 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1xr4 h GLN 468 Cb 0.14 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 1xr4 h GLN 468 CO -0.19 0.78 0.54 -0.09 -0.67 0.00 0.00 178.83 179.21 1xr4 h ARG 469 N 0.79 1.02 -0.19 1.46 9.65 -1.10 0.18 114.38 126.19 1xr4 h ARG 469 Ca 0.18 -0.06 -0.19 0.00 -1.10 0.00 0.00 59.98 58.81 1xr4 h ARG 469 Cb 0.27 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1xr4 h ARG 469 CO -0.01 0.68 -0.64 0.00 2.80 0.00 0.00 179.97 182.80 1xr4 h ALA 470 N 1.51 0.51 -0.01 2.80 0.00 -0.39 -2.15 119.26 121.53 1xr4 h ALA 470 Ca 0.32 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1xr4 h ALA 470 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xr4 h ALA 470 CO -0.09 0.70 -0.37 1.49 0.00 0.00 0.00 179.25 180.99 1xr4 h GLU 471 N 0.50 0.02 -0.60 0.00 4.81 -0.62 -0.46 114.58 118.24 1xr4 h GLU 471 Ca -0.01 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1xr4 h GLU 471 Cb 1.23 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1xr4 h GLU 471 CO 0.13 0.39 -0.00 0.37 -0.73 0.00 0.00 179.01 179.16 1xr4 h GLN 472 N 0.02 1.05 0.00 1.92 4.15 -0.53 0.67 115.11 122.38 1xr4 h GLN 472 Ca -0.00 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1xr4 h GLN 472 Cb 0.66 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1xr4 h GLN 472 CO 0.05 1.02 -0.32 -0.07 -1.93 0.00 0.00 178.83 177.58 1xr4 h LEU 473 N 0.96 0.00 -0.45 -2.39 3.38 -0.92 -3.37 115.31 112.51 1xr4 h LEU 473 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xr4 h LEU 473 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xr4 h LEU 473 CO 0.03 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.92 1xr4 n THR 474 N -2.84 0.00 -0.38 0.22 -2.24 -0.22 -5.02 114.28 103.80 1xr4 n THR 474 Ca 0.03 -0.44 0.04 0.00 -2.27 0.00 0.00 64.05 61.41 1xr4 n THR 474 Cb 0.52 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.80 1xr4 n THR 474 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xr4 n GLY 475 N 0.43 -2.19 3.74 3.38 0.00 0.22 -4.77 105.19 106.00 1xr4 n GLY 475 Ca 0.00 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 1xr4 n GLY 475 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xr4 s LYS 476 N -1.24 4.44 0.26 1.61 1.02 -1.26 -4.72 119.74 119.85 1xr4 s LYS 476 Ca 0.00 0.93 -0.17 0.00 0.02 0.00 0.00 55.97 56.75 1xr4 s LYS 476 Cb 0.00 -3.40 -0.08 0.00 -0.52 0.00 0.00 37.83 33.83 1xr4 s LYS 476 CO 0.00 0.20 0.71 -1.25 -0.92 0.00 0.00 175.35 174.09 1xr4 s PRO 477 N 0.29 4.11 -0.35 -1.68 0.04 -1.26 -4.99 135.00 131.15 1xr4 s PRO 477 Ca 0.37 0.73 -0.28 0.00 0.04 0.00 0.00 61.00 61.86 1xr4 s PRO 477 Cb -0.19 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 1xr4 s PRO 477 CO 0.20 0.30 1.76 -0.65 0.04 0.00 0.00 177.00 178.65 1xr4 s GLN 478 N -2.42 3.32 0.17 4.56 1.11 -1.26 -4.94 119.66 120.20 1xr4 s GLN 478 Ca 0.47 1.33 -0.31 0.00 0.01 0.00 0.00 55.36 56.85 1xr4 s GLN 478 Cb -0.14 -4.19 -0.10 0.00 -1.01 0.00 0.00 33.01 27.57 1xr4 s GLN 478 CO 0.19 -1.87 1.57 -2.14 0.01 0.00 0.00 175.29 173.05 1xr4 s PRO 479 N 5.66 4.21 0.47 2.91 0.02 -1.26 -4.91 135.00 142.10 1xr4 s PRO 479 Ca 0.77 2.38 -0.14 0.00 0.02 0.00 0.00 61.00 64.03 1xr4 s PRO 479 Cb -0.21 -3.14 -0.07 0.00 0.02 0.00 0.00 34.50 31.10 1xr4 s PRO 479 CO 0.33 -0.61 0.89 0.96 -0.33 0.00 0.00 177.00 178.24 1xr4 s ILE 480 N 1.08 4.64 -1.15 2.83 -4.36 -1.26 -4.97 121.20 118.00 1xr4 s ILE 480 Ca 0.70 0.96 -0.19 0.00 -0.26 0.00 0.00 60.65 61.86 1xr4 s ILE 480 Cb -0.44 -3.73 0.08 0.00 1.25 0.00 0.00 42.46 39.63 1xr4 s ILE 480 CO 0.32 -0.62 1.53 -1.61 0.24 0.00 0.00 174.94 174.79 1xr4 s GLU 481 N -3.99 3.83 0.44 0.37 0.41 -1.26 -4.99 118.70 113.50 1xr4 s GLU 481 Ca 0.56 -1.76 -0.19 0.00 -0.41 0.00 0.00 54.97 53.17 1xr4 s GLU 481 Cb -0.10 -5.34 -0.10 0.00 -1.78 0.00 0.00 34.13 26.81 1xr4 s GLU 481 CO 0.32 -2.12 0.93 -0.06 -0.49 0.00 0.00 175.26 173.84 1xr4 s PHE 482 N 3.92 3.36 0.23 1.61 0.08 -1.26 -0.63 117.98 125.29 1xr4 s PHE 482 Ca 0.47 1.51 0.02 0.00 0.12 0.00 0.00 56.93 59.05 1xr4 s PHE 482 Cb 0.01 -2.79 0.04 0.00 -0.57 0.00 0.00 43.02 39.71 1xr4 s PHE 482 CO -0.01 -0.15 0.31 0.25 -0.10 0.00 0.00 175.22 175.52 1xr4 n THR 483 N -0.86 0.00 0.82 0.64 -2.24 0.00 -4.84 114.28 107.80 1xr4 n THR 483 Ca 0.06 -0.62 0.12 0.00 -2.27 0.00 0.00 64.05 61.35 1xr4 n THR 483 Cb 0.54 -1.01 0.28 0.00 -2.10 0.00 0.00 70.33 68.04 1xr4 n THR 483 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xr4 n ASP 484 N -2.86 0.52 -4.69 3.42 8.00 -1.26 -4.50 116.55 115.17 1xr4 n ASP 484 Ca 0.06 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 1xr4 n ASP 484 Cb 0.21 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1xr4 n ASP 484 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1xr4 s ARG 485 N -3.07 4.21 -0.11 -1.24 3.52 -1.26 -4.92 118.95 116.08 1xr4 s ARG 485 Ca 0.10 2.29 -0.25 0.00 -0.13 0.00 0.00 55.73 57.74 1xr4 s ARG 485 Cb 0.16 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 30.01 1xr4 s ARG 485 CO 0.68 -0.69 0.78 0.08 -0.81 0.00 0.00 175.30 175.34 1xr4 s VAL 486 N 2.31 4.95 -0.06 7.11 1.01 -1.26 -0.07 120.40 134.40 1xr4 s VAL 486 Ca 0.72 1.58 0.12 0.00 0.00 0.00 0.00 61.98 64.39 1xr4 s VAL 486 Cb -0.39 -4.11 -0.18 0.00 0.00 0.00 0.00 36.38 31.70 1xr4 s VAL 486 CO 0.31 0.14 0.18 0.55 0.00 0.00 0.00 175.10 176.28 1xr4 n VAL 487 N 4.26 0.32 -3.52 2.92 3.14 0.12 -4.58 118.33 120.98 1xr4 n VAL 487 Ca 0.02 -0.37 -0.14 0.00 -2.96 0.00 0.00 64.34 60.89 1xr4 n VAL 487 Cb 0.50 -0.14 -0.05 0.00 -1.06 0.00 0.00 33.84 33.09 1xr4 n VAL 487 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xr4 s ALA 488 N -2.64 -1.51 -0.14 1.55 0.00 -1.00 -1.93 121.76 116.09 1xr4 s ALA 488 Ca -0.05 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.68 1xr4 s ALA 488 Cb 0.06 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.62 1xr4 s ALA 488 CO 0.50 -0.54 -0.22 0.08 0.00 0.00 0.00 175.76 175.59 1xr4 s VAL 489 N -2.49 2.02 -0.49 0.00 1.01 0.09 -0.86 120.40 119.68 1xr4 s VAL 489 Ca -0.05 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 1xr4 s VAL 489 Cb -0.01 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.62 1xr4 s VAL 489 CO -0.02 0.54 0.76 -0.69 0.00 0.00 0.00 175.10 175.70 1xr4 s VAL 490 N 0.83 4.67 -0.18 2.92 1.01 0.11 -1.07 120.40 128.68 1xr4 s VAL 490 Ca -0.07 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 1xr4 s VAL 490 Cb -0.15 -4.36 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 1xr4 s VAL 490 CO -0.02 -0.83 0.83 -0.13 0.00 0.00 0.00 175.10 174.95 1xr4 s ARG 491 N 3.22 4.28 0.71 2.72 1.81 0.72 -0.67 118.95 131.74 1xr4 s ARG 491 Ca 0.25 1.01 -0.11 0.00 -1.72 0.00 0.00 55.73 55.15 1xr4 s ARG 491 Cb -0.14 -3.58 0.02 0.00 -0.45 0.00 0.00 34.95 30.79 1xr4 s ARG 491 CO 0.18 -0.35 1.07 -0.47 -0.68 0.00 0.00 175.30 175.05 1xr4 s TYR 492 N 2.23 3.00 0.60 -0.53 5.04 0.42 -4.21 117.35 123.89 1xr4 s TYR 492 Ca 0.38 1.45 0.29 0.00 -2.44 0.00 0.00 57.07 56.75 1xr4 s TYR 492 Cb -0.16 -2.92 1.43 0.00 0.35 0.00 0.00 41.96 40.65 1xr4 s TYR 492 CO 0.12 -1.35 1.83 0.07 -1.34 0.00 0.00 175.55 174.88 1xr4 h ARG 493 N -0.76 0.00 -0.01 4.97 0.11 -1.93 0.36 114.38 117.13 1xr4 h ARG 493 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1xr4 h ARG 493 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1xr4 h ARG 493 CO 0.56 0.00 -0.04 -0.40 0.10 0.00 0.00 179.97 180.18 1xr4 n ASP 494 N -3.62 0.81 0.00 0.08 5.68 -1.26 -4.25 116.55 113.99 1xr4 n ASP 494 Ca 0.09 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1xr4 n ASP 494 Cb 0.75 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.72 1xr4 n ASP 494 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xr4 n GLY 495 N 1.16 0.67 3.67 6.12 0.00 0.13 -5.05 105.19 111.89 1xr4 n GLY 495 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1xr4 n GLY 495 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xr4 s SER 496 N -1.97 2.75 -0.29 1.61 1.04 -1.26 -4.73 113.70 110.85 1xr4 s SER 496 Ca 0.00 1.41 -0.10 0.00 0.48 0.00 0.00 55.95 57.74 1xr4 s SER 496 Cb 0.00 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 64.00 1xr4 s SER 496 CO 0.00 -3.08 0.16 0.54 0.98 0.00 0.00 173.24 171.83 1xr4 s VAL 497 N -2.86 4.88 -0.12 5.02 0.11 -1.26 -0.44 120.40 125.73 1xr4 s VAL 497 Ca 0.65 -0.12 0.17 0.00 -2.93 0.00 0.00 61.98 59.76 1xr4 s VAL 497 Cb -0.19 -3.38 -0.22 0.00 -1.53 0.00 0.00 36.38 31.05 1xr4 s VAL 497 CO 0.58 0.19 0.48 0.00 -3.33 0.00 0.00 175.10 173.02 1xr4 n ILE 498 N 5.01 1.13 -3.61 7.04 3.06 0.16 -4.89 119.36 127.26 1xr4 n ILE 498 Ca -0.14 -0.74 -0.09 0.00 -2.50 0.00 0.00 62.75 59.28 1xr4 n ILE 498 Cb 0.51 -0.57 -0.02 0.00 0.54 0.00 0.00 39.64 40.10 1xr4 n ILE 498 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1xr4 s ASP 499 N -5.52 -0.40 0.25 9.51 -1.08 -1.19 -4.87 116.67 113.36 1xr4 s ASP 499 Ca -0.06 -0.24 0.11 0.00 -0.52 0.00 0.00 52.55 51.83 1xr4 s ASP 499 Cb 0.08 0.60 -0.05 0.00 -1.46 0.00 0.00 42.92 42.10 1xr4 s ASP 499 CO 0.84 -1.04 -0.17 0.68 0.52 0.00 0.00 175.17 175.99 1xr4 s VAL 500 N -3.66 2.64 -0.16 1.11 -7.23 -1.26 0.04 120.40 111.88 1xr4 s VAL 500 Ca 0.06 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 1xr4 s VAL 500 Cb -0.03 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1xr4 s VAL 500 CO -0.04 -0.30 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.66 1xr4 s ILE 501 N -2.20 2.55 0.30 -0.62 1.01 -0.04 -4.90 121.20 117.30 1xr4 s ILE 501 Ca 0.27 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 1xr4 s ILE 501 Cb -0.06 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 1xr4 s ILE 501 CO 0.14 0.52 0.56 -0.13 0.00 0.00 0.00 174.94 176.03 1xr4 s ARG 502 N 0.89 3.63 0.25 2.79 1.81 -1.26 0.11 118.95 127.16 1xr4 s ARG 502 Ca -0.04 -0.00 -0.31 0.00 -1.72 0.00 0.00 55.73 53.66 1xr4 s ARG 502 Cb -0.15 -2.64 -0.12 0.00 -0.45 0.00 0.00 34.95 31.59 1xr4 s ARG 502 CO -0.02 0.20 1.63 0.94 -0.68 0.00 0.00 175.30 177.37 1xr4 n GLN 503 N -1.00 2.65 -3.18 3.54 7.27 0.90 -4.75 117.38 122.80 1xr4 n GLN 503 Ca -0.02 0.95 -0.39 0.00 0.07 0.00 0.00 57.00 57.61 1xr4 n GLN 503 Cb 0.54 -2.74 -0.05 0.00 2.41 0.00 0.00 30.24 30.39 1xr4 n GLN 503 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1xr4 s VAL 504 N 0.46 5.11 -2.00 1.69 1.01 -0.67 -0.82 120.40 125.18 1xr4 s VAL 504 Ca 0.69 1.18 0.14 0.00 0.00 0.00 0.00 61.98 63.99 1xr4 s VAL 504 Cb -0.52 -3.92 0.40 0.00 0.00 0.00 0.00 36.38 32.34 1xr4 s VAL 504 CO 0.42 0.26 1.27 1.17 0.00 0.00 0.00 175.10 178.22