#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 0.07 0.00 5.02 -1.26 -4.91 118.16 117.08 1xr4 n LYS 2 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1xr4 n LYS 2 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 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 0.32 0.00 1.97 5.08 -2.05 -3.13 114.58 116.77 1xr4 h GLU 3 Ca 0.00 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1xr4 h GLU 3 Cb 0.00 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xr4 h GLU 3 CO 0.00 0.95 -0.08 0.00 -1.00 0.00 0.00 179.01 178.88 1xr4 h THR 4 N 0.21 0.16 -0.03 1.13 1.03 -2.06 -3.12 112.91 110.22 1xr4 h THR 4 Ca -0.04 -1.02 -0.12 0.00 -0.01 0.00 0.00 66.41 65.22 1xr4 h THR 4 Cb 1.36 1.89 0.01 0.00 -1.07 0.00 0.00 68.15 70.34 1xr4 h THR 4 CO 0.13 0.08 -0.44 0.58 -0.01 0.00 0.00 175.52 175.85 1xr4 h VAL 5 N 0.00 1.45 0.00 0.00 2.07 -1.96 -1.85 116.25 115.95 1xr4 h VAL 5 Ca -0.00 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.59 1xr4 h VAL 5 Cb 0.89 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1xr4 h VAL 5 CO 0.01 0.56 0.00 0.41 0.02 0.00 0.00 177.57 178.57 1xr4 n THR 6 N -4.33 0.00 0.00 2.57 -1.04 -1.18 -1.58 114.28 108.72 1xr4 n THR 6 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1xr4 n THR 6 Cb 0.58 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 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 -0.00 0.00 0.08 -4.42 4.77 -0.70 -2.05 117.00 114.68 1xr4 n LEU 8 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1xr4 n LEU 8 Cb 0.00 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.61 1xr4 n LEU 8 CO 0.00 0.00 1.13 0.78 -1.33 0.00 0.00 177.39 177.97 1xr4 h ASN 9 N 0.00 0.28 0.31 -1.43 2.35 -1.56 -1.69 115.58 113.84 1xr4 h ASN 9 Ca 0.00 -0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.42 1xr4 h ASN 9 Cb 0.00 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1xr4 h ASN 9 CO 0.00 0.19 -1.80 1.56 -1.65 0.00 0.00 177.43 175.73 1xr4 h GLN 10 N 0.32 0.18 0.00 0.81 4.20 -1.68 -3.41 115.11 115.52 1xr4 h GLN 10 Ca 0.12 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1xr4 h GLN 10 Cb 0.08 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1xr4 h GLN 10 CO -0.03 0.96 -1.08 1.04 -0.67 0.00 0.00 178.83 179.06 1xr4 n GLN 11 N -3.33 1.54 -4.32 1.46 6.02 -1.20 -5.02 117.38 112.53 1xr4 n GLN 11 Ca -0.24 -0.05 -0.19 0.00 -0.01 0.00 0.00 57.00 56.50 1xr4 n GLN 11 Cb 1.05 -1.24 -0.11 0.00 1.02 0.00 0.00 30.24 30.96 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 -2.62 1.69 -0.47 1.08 1.51 -0.64 -5.06 117.35 112.83 1xr4 s TYR 12 Ca 0.01 -0.53 -0.28 0.00 -1.01 0.00 0.00 57.07 55.25 1xr4 s TYR 12 Cb 0.10 -0.82 0.03 0.00 -0.11 0.00 0.00 41.96 41.16 1xr4 s TYR 12 CO 0.60 0.30 1.10 0.08 -1.11 0.00 0.00 175.55 176.52 1xr4 s VAL 13 N -2.48 4.26 0.09 0.71 1.01 -1.26 -4.67 120.40 118.06 1xr4 s VAL 13 Ca 0.17 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1xr4 s VAL 13 Cb -0.03 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1xr4 s VAL 13 CO 0.06 -0.97 -0.03 0.68 0.00 0.00 0.00 175.10 174.84 1xr4 s VAL 14 N 4.31 0.44 0.38 2.92 -7.23 -1.26 -5.14 120.40 114.83 1xr4 s VAL 14 Ca 0.46 -1.89 -0.27 0.00 -1.81 0.00 0.00 61.98 58.47 1xr4 s VAL 14 Cb -0.08 -1.72 -0.10 0.00 0.56 0.00 0.00 36.38 35.05 1xr4 s VAL 14 CO 0.30 -0.83 1.37 -2.84 -0.31 0.00 0.00 175.10 172.80 1xr4 s PRO 15 N -3.90 4.09 0.55 4.82 0.02 -1.26 -4.98 135.00 134.34 1xr4 s PRO 15 Ca 0.13 2.32 -0.21 0.00 0.02 0.00 0.00 61.00 63.26 1xr4 s PRO 15 Cb 0.07 -2.90 -0.05 0.00 0.02 0.00 0.00 34.50 31.64 1xr4 s PRO 15 CO -0.05 -0.45 1.30 -1.21 -0.33 0.00 0.00 177.00 176.26 1xr4 s GLU 16 N -2.09 3.13 -0.40 5.54 2.02 -1.26 -3.98 118.70 121.65 1xr4 s GLU 16 Ca 0.54 2.09 0.00 0.00 0.02 0.00 0.00 54.97 57.62 1xr4 s GLU 16 Cb -0.42 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1xr4 s GLU 16 CO 0.55 -1.16 0.00 0.41 0.02 0.00 0.00 175.26 175.08 1xr4 n GLY 17 N 0.68 0.27 3.70 -1.39 0.00 -1.26 -5.01 105.19 102.18 1xr4 n GLY 17 Ca 0.11 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.26 4.35 0.13 0.99 1.43 -1.26 -5.03 118.68 118.03 1xr4 s LEU 18 Ca 0.00 2.26 0.10 0.00 -1.03 0.00 0.00 54.13 55.47 1xr4 s LEU 18 Cb 0.00 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1xr4 s LEU 18 CO 0.00 -0.71 -0.26 -1.10 0.23 0.00 0.00 176.35 174.52 1xr4 s GLN 19 N 1.78 1.35 0.48 1.70 -1.52 -1.26 -4.97 119.66 117.22 1xr4 s GLN 19 Ca 0.65 -1.32 -0.20 0.00 -1.95 0.00 0.00 55.36 52.55 1xr4 s GLN 19 Cb -0.35 -1.79 -0.09 0.00 -0.22 0.00 0.00 33.01 30.56 1xr4 s GLN 19 CO 0.29 0.42 1.01 -2.14 -0.25 0.00 0.00 175.29 174.63 1xr4 s PRO 20 N -2.06 3.87 0.41 2.91 0.02 -1.26 -5.00 135.00 133.89 1xr4 s PRO 20 Ca 0.13 1.25 -0.24 0.00 0.02 0.00 0.00 61.00 62.16 1xr4 s PRO 20 Cb -0.10 -2.11 -0.11 0.00 0.02 0.00 0.00 34.50 32.20 1xr4 s PRO 20 CO 0.06 -0.36 0.97 0.98 -0.33 0.00 0.00 177.00 178.32 1xr4 n TYR 21 N -1.04 1.02 -2.65 6.54 9.36 -1.26 -4.98 117.16 124.16 1xr4 n TYR 21 Ca 0.08 0.57 -0.01 0.00 3.32 0.00 0.00 57.90 61.87 1xr4 n TYR 21 Cb 0.53 -2.21 0.05 0.00 -0.63 0.00 0.00 39.34 37.09 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 0.20 1.14 0.00 2.98 10.64 -1.26 -4.94 117.38 126.15 1xr4 n GLN 22 Ca 0.10 -2.38 0.00 0.00 -1.83 0.00 0.00 57.00 52.89 1xr4 n GLN 22 Cb 0.39 -0.57 0.00 0.00 -0.86 0.00 0.00 30.24 29.20 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 -0.59 3.08 0.23 2.61 0.00 -1.26 -4.57 105.19 104.70 1xr4 n GLY 23 Ca -0.03 -1.83 -0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 1.24 -0.21 1.61 2.07 -2.01 -3.18 116.25 115.77 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 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1xr4 h VAL 24 CO 0.00 0.34 0.00 0.35 0.02 0.00 0.00 177.57 178.28 1xr4 n THR 25 N -4.17 0.39 -0.21 2.57 -2.24 -1.26 -4.38 114.28 104.97 1xr4 n THR 25 Ca -0.01 -0.69 0.02 0.00 -2.27 0.00 0.00 64.05 61.10 1xr4 n THR 25 Cb 0.35 1.02 0.12 0.00 -2.10 0.00 0.00 70.33 69.72 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 3.17 0.74 -0.32 6.98 0.00 -1.79 -1.97 119.26 126.06 1xr4 h ALA 26 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xr4 h ALA 26 Cb 0.75 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xr4 h ALA 26 CO 0.00 -0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.01 1xr4 n ASN 27 N -5.17 2.98 -3.10 0.00 3.02 -1.26 -4.69 115.26 107.03 1xr4 n ASN 27 Ca 0.10 -1.88 -0.20 0.00 -0.03 0.00 0.00 54.58 52.57 1xr4 n ASN 27 Cb 0.36 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 1xr4 n ASN 27 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1xr4 n SER 28 N 0.96 1.77 -0.04 6.41 7.64 -0.79 -4.99 113.62 124.57 1xr4 n SER 28 Ca 0.14 -3.17 0.17 0.00 1.01 0.00 0.00 58.87 57.03 1xr4 n SER 28 Cb 0.47 -0.60 0.61 0.00 -1.01 0.00 0.00 64.21 63.68 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 2.99 0.17 0.00 1.43 0.11 -1.71 0.20 132.00 135.20 1xr4 h PRO 29 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1xr4 h PRO 29 Cb 0.87 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1xr4 h PRO 29 CO 0.58 0.11 0.08 0.11 -0.21 0.00 0.00 178.00 178.67 1xr4 h TRP 30 N 0.18 0.00 0.00 0.65 0.09 -1.93 -1.25 115.95 113.69 1xr4 h TRP 30 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 59.23 1xr4 h TRP 30 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.08 1xr4 h TRP 30 CO -0.00 0.00 -0.11 -0.07 0.09 0.00 0.00 178.44 178.35 1xr4 h LEU 31 N 0.00 0.00 -1.60 0.11 3.38 -0.96 -2.90 115.31 113.34 1xr4 h LEU 31 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xr4 h LEU 31 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xr4 h LEU 31 CO 0.00 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1xr4 h ALA 32 N 1.89 1.00 -3.56 1.53 0.00 -1.39 -3.42 119.26 115.30 1xr4 h ALA 32 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 1xr4 h ALA 32 Cb 0.64 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.10 1xr4 h ALA 32 CO 0.01 0.00 -0.77 0.45 0.00 0.00 0.00 179.25 178.94 1xr4 s SER 33 N -4.41 0.90 0.00 0.00 0.15 -1.10 -5.05 113.70 104.19 1xr4 s SER 33 Ca -0.01 -0.13 0.27 0.00 0.70 0.00 0.00 55.95 56.78 1xr4 s SER 33 Cb 0.08 -0.38 0.85 0.00 -1.71 0.00 0.00 66.02 64.87 1xr4 s SER 33 CO 0.30 -0.02 1.66 -1.84 1.20 0.00 0.00 173.24 174.54 1xr4 n GLU 34 N 3.80 0.01 -0.09 5.44 0.28 -1.26 -2.53 120.64 126.29 1xr4 n GLU 34 Ca -0.23 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.57 1xr4 n GLU 34 Cb 0.52 -1.51 -0.12 0.00 1.43 0.00 0.00 31.44 31.76 1xr4 n GLU 34 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1xr4 h THR 35 N 0.00 1.11 -0.62 3.84 2.02 -1.96 -3.38 112.91 113.91 1xr4 h THR 35 Ca 0.00 -2.22 0.13 0.00 0.77 0.00 0.00 66.41 65.08 1xr4 h THR 35 Cb 0.51 2.49 -0.10 0.00 -1.74 0.00 0.00 68.15 69.31 1xr4 h THR 35 CO 0.00 0.39 0.06 -0.08 0.37 0.00 0.00 175.52 176.27 1xr4 h GLU 36 N -0.97 0.17 0.00 6.66 4.81 -1.80 -0.05 114.58 123.41 1xr4 h GLU 36 Ca -0.27 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1xr4 h GLU 36 Cb 1.26 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1xr4 h GLU 36 CO -0.16 0.12 -0.17 1.57 -0.73 0.00 0.00 179.01 179.64 1xr4 h LYS 37 N 0.18 0.00 0.16 1.92 2.10 -1.45 0.18 116.57 119.66 1xr4 h LYS 37 Ca 0.33 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.63 1xr4 h LYS 37 Cb 0.53 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1xr4 h LYS 37 CO -0.48 0.17 -1.77 0.00 -2.00 0.00 0.00 179.45 175.36 1xr4 h ARG 38 N 0.00 0.33 -0.02 0.07 3.08 -1.63 -3.43 114.38 112.79 1xr4 h ARG 38 Ca -0.00 -0.57 0.00 0.00 0.07 0.00 0.00 59.98 59.48 1xr4 h ARG 38 Cb 0.42 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1xr4 h ARG 38 CO 0.02 1.24 0.00 0.54 -1.07 0.00 0.00 179.97 180.70 1xr4 n ARG 39 N -3.53 0.61 -0.42 0.04 1.74 -0.07 -4.70 116.66 110.33 1xr4 n ARG 39 Ca -0.25 -1.19 0.35 0.00 -0.77 0.00 0.00 57.85 55.99 1xr4 n ARG 39 Cb 1.07 -1.21 0.66 0.00 -1.02 0.00 0.00 32.46 31.95 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 2.18 0.13 0.00 5.56 0.11 -0.84 -2.11 114.38 119.41 1xr4 h ARG 40 Ca 0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 1xr4 h ARG 40 Cb 0.47 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 1xr4 h ARG 40 CO 0.00 0.09 -0.20 0.87 0.10 0.00 0.00 179.97 180.82 1xr4 h LYS 41 N 0.13 0.00 -6.79 0.08 1.57 -1.84 -3.47 116.57 106.25 1xr4 h LYS 41 Ca 0.71 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.97 1xr4 h LYS 41 Cb 2.38 0.00 0.07 0.00 0.08 0.00 0.00 32.23 34.76 1xr4 h LYS 41 CO -0.23 0.20 0.80 0.42 -0.57 0.00 0.00 179.45 180.07 1xr4 s ILE 42 N -3.21 2.39 -0.08 1.86 1.01 -0.80 -1.76 121.20 120.62 1xr4 s ILE 42 Ca 0.05 0.34 0.03 0.00 0.00 0.00 0.00 60.65 61.07 1xr4 s ILE 42 Cb 0.07 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.33 1xr4 s ILE 42 CO 0.68 0.06 -0.17 0.00 0.00 0.00 0.00 174.94 175.52 1xr4 n ASP 44 N 3.70 0.41 -3.69 0.00 8.00 -1.26 -4.27 116.55 119.44 1xr4 n ASP 44 Ca -0.21 0.55 -0.13 0.00 0.71 0.00 0.00 54.79 55.71 1xr4 n ASP 44 Cb 0.52 -0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 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 -3.78 -0.24 0.27 -2.24 1.04 -1.26 -4.93 113.70 102.56 1xr4 s SER 45 Ca 0.11 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.50 1xr4 s SER 45 Cb 0.15 0.40 0.45 0.00 0.10 0.00 0.00 66.02 67.11 1xr4 s SER 45 CO 0.53 -0.63 1.87 0.25 0.98 0.00 0.00 173.24 176.24 1xr4 h LEU 46 N 3.13 1.02 -1.06 2.42 5.85 -1.90 -2.40 115.31 122.36 1xr4 h LEU 46 Ca -0.31 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1xr4 h LEU 46 Cb 1.20 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1xr4 h LEU 46 CO 0.44 0.62 0.21 -0.08 -0.34 0.00 0.00 178.44 179.28 1xr4 h GLU 47 N 1.13 0.88 -0.42 1.25 4.81 -1.99 -2.49 114.58 117.74 1xr4 h GLU 47 Ca 0.45 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 1xr4 h GLU 47 Cb 0.25 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1xr4 h GLU 47 CO -0.20 0.74 0.15 1.49 -0.73 0.00 0.00 179.01 180.46 1xr4 h GLU 48 N 0.86 0.65 -0.81 1.92 4.81 -1.85 -2.66 114.58 117.49 1xr4 h GLU 48 Ca 0.20 -0.13 0.16 0.00 -0.13 0.00 0.00 59.36 59.46 1xr4 h GLU 48 Cb 0.21 -0.10 -0.10 0.00 0.63 0.00 0.00 28.75 29.39 1xr4 h GLU 48 CO -0.01 0.62 0.36 0.00 -0.73 0.00 0.00 179.01 179.25 1xr4 h ALA 49 N 1.00 1.20 -0.27 2.92 0.00 -1.12 0.63 119.26 123.61 1xr4 h ALA 49 Ca 0.14 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1xr4 h ALA 49 Cb 0.23 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xr4 h ALA 49 CO -0.01 -0.21 -0.16 0.82 0.00 0.00 0.00 179.25 179.70 1xr4 h ILE 50 N 0.48 1.30 0.39 0.00 2.04 -1.25 0.15 117.51 120.62 1xr4 h ILE 50 Ca 0.46 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1xr4 h ILE 50 Cb 0.74 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1xr4 h ILE 50 CO -0.42 0.40 -0.19 0.03 0.00 0.00 0.00 178.15 177.97 1xr4 h ARG 51 N 0.33 -0.51 -0.34 2.37 3.08 -1.14 -2.92 114.38 115.25 1xr4 h ARG 51 Ca 0.06 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.20 1xr4 h ARG 51 Cb 0.68 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 1xr4 h ARG 51 CO 0.05 -0.32 0.23 0.00 -1.07 0.00 0.00 179.97 178.85 1xr4 h ARG 52 N -0.55 0.20 0.00 0.04 3.08 -0.77 -2.25 114.38 114.13 1xr4 h ARG 52 Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1xr4 h ARG 52 Cb 0.42 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1xr4 h ARG 52 CO 0.09 0.13 0.00 0.66 -1.07 0.00 0.00 179.97 179.78 1xr4 h SER 53 N 0.21 0.00 0.00 7.04 4.64 -0.49 -3.46 113.55 121.48 1xr4 h SER 53 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1xr4 h SER 53 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1xr4 h SER 53 CO -0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 1xr4 n GLY 54 N -0.37 0.63 3.66 -0.77 0.00 -0.85 -4.91 105.19 102.58 1xr4 n GLY 54 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1xr4 n GLY 54 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xr4 n LEU 55 N 0.00 2.94 -4.10 0.99 0.00 -1.25 -5.01 117.00 110.57 1xr4 n LEU 55 Ca 0.00 1.18 -0.08 0.00 0.00 0.00 0.00 56.01 57.12 1xr4 n LEU 55 Cb 0.03 -1.41 -0.10 0.00 0.00 0.00 0.00 43.42 41.93 1xr4 n LEU 55 CO 0.00 -0.86 -0.36 -0.54 0.00 0.00 0.00 177.39 175.63 1xr4 s LYS 56 N -1.81 0.65 0.38 1.96 1.02 -1.26 -4.97 119.74 115.71 1xr4 s LYS 56 Ca 0.57 -1.25 -0.25 0.00 0.02 0.00 0.00 55.97 55.06 1xr4 s LYS 56 Cb -0.61 0.17 -0.11 0.00 -0.52 0.00 0.00 37.83 36.76 1xr4 s LYS 56 CO 0.61 -0.11 1.03 0.09 -0.92 0.00 0.00 175.35 176.05 1xr4 n ASN 57 N 0.08 1.41 -0.46 2.83 3.02 -1.26 -4.89 115.26 115.98 1xr4 n ASN 57 Ca -0.13 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 1xr4 n ASN 57 Cb 0.61 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 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 1.15 0.69 2.95 7.41 0.00 -1.00 -5.00 105.19 111.40 1xr4 n GLY 58 Ca 0.09 -0.34 -0.21 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 -2.36 0.72 0.20 2.61 2.01 -1.26 -4.63 115.64 112.93 1xr4 s THR 60 Ca 0.00 -0.26 0.09 0.00 0.31 0.00 0.00 61.69 61.83 1xr4 s THR 60 Cb 0.00 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1xr4 s THR 60 CO 0.00 0.25 -0.18 0.27 -0.69 0.00 0.00 174.62 174.27 1xr4 s ILE 61 N 0.62 1.96 0.16 1.82 -4.36 -0.35 -0.96 121.20 120.09 1xr4 s ILE 61 Ca -0.10 -2.10 -0.04 0.00 -0.26 0.00 0.00 60.65 58.15 1xr4 s ILE 61 Cb -0.13 -2.01 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 1xr4 s ILE 61 CO 0.01 -0.39 0.16 -0.94 0.24 0.00 0.00 174.94 174.02 1xr4 s SER 62 N -3.00 0.18 0.11 4.36 1.04 -0.45 -1.09 113.70 114.85 1xr4 s SER 62 Ca 0.21 -1.13 -0.12 0.00 0.48 0.00 0.00 55.95 55.39 1xr4 s SER 62 Cb -0.04 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1xr4 s SER 62 CO 0.08 -0.82 0.30 -0.36 0.98 0.00 0.00 173.24 173.43 1xr4 s PHE 63 N -4.04 -0.02 0.26 5.02 0.40 -1.24 -0.24 117.98 118.12 1xr4 s PHE 63 Ca 0.25 -0.35 0.11 0.00 -0.60 0.00 0.00 56.93 56.33 1xr4 s PHE 63 Cb 0.06 0.10 -0.05 0.00 0.51 0.00 0.00 43.02 43.64 1xr4 s PHE 63 CO 0.03 -0.63 -0.14 -3.38 0.70 0.00 0.00 175.22 171.80 1xr4 s HIS 64 N -3.84 2.43 -0.36 0.36 -3.43 -1.26 -2.10 115.29 107.10 1xr4 s HIS 64 Ca 0.04 -0.29 0.16 0.00 -0.80 0.00 0.00 55.06 54.17 1xr4 s HIS 64 Cb 0.03 -1.08 0.57 0.00 -1.43 0.00 0.00 32.58 30.67 1xr4 s HIS 64 CO -0.11 0.67 1.47 -2.39 -2.00 0.00 0.00 174.74 172.38 1xr4 n HIS 65 N -0.61 1.12 0.30 0.38 1.44 -1.26 -4.68 115.22 111.90 1xr4 n HIS 65 Ca -0.06 -0.78 0.04 0.00 -2.01 0.00 0.00 57.72 54.90 1xr4 n HIS 65 Cb 0.59 -0.31 0.18 0.00 0.12 0.00 0.00 29.99 30.57 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 -0.07 1.43 1.30 1.59 0.00 -1.26 -1.12 120.51 122.39 1xr4 n ALA 66 Ca 0.22 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.76 1xr4 n ALA 66 Cb 0.89 -1.12 0.41 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.41 0.00 -4.79 0.00 3.01 -1.26 -4.87 117.46 108.14 1xr4 n PHE 67 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1xr4 n PHE 67 Cb 0.08 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 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 -0.40 0.00 0.32 -1.08 1.74 -0.27 -2.11 116.66 114.87 1xr4 n ARG 68 Ca 0.14 0.00 0.20 0.00 -0.77 0.00 0.00 57.85 57.42 1xr4 n ARG 68 Cb 0.36 0.00 1.11 0.00 -1.02 0.00 0.00 32.46 32.91 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 -3.05 -0.13 0.00 -1.95 -2.90 103.07 95.04 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 -1.10 2.64 3.68 4.60 0.00 -0.90 -4.74 105.19 109.38 1xr4 n GLY 70 Ca -0.03 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 1.09 2.64 0.00 1.61 2.03 -1.10 -2.87 116.55 119.95 1xr4 n ASP 71 Ca 0.25 1.19 0.00 0.00 0.52 0.00 0.00 54.79 56.75 1xr4 n ASP 71 Cb 0.89 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 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 0.91 4.57 -0.01 -0.67 5.02 -0.38 -4.84 118.16 122.75 1xr4 n LYS 72 Ca 0.07 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.19 1xr4 n LYS 72 Cb 0.35 -0.63 -0.11 0.00 -0.02 0.00 0.00 35.03 34.62 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 1.46 -0.11 -0.18 2.07 -1.86 -3.29 116.25 114.34 1xr4 h VAL 73 Ca 0.00 -1.99 0.04 0.00 0.82 0.00 0.00 66.70 65.57 1xr4 h VAL 73 Cb 0.00 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 1xr4 h VAL 73 CO 0.00 0.57 -0.18 0.58 0.02 0.00 0.00 177.57 178.56 1xr4 h VAL 74 N -0.21 0.54 0.00 2.57 2.07 -1.93 -1.71 116.25 117.58 1xr4 h VAL 74 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1xr4 h VAL 74 Cb 1.18 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1xr4 h VAL 74 CO 0.09 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.27 1xr4 n ASN 75 N -5.32 1.06 -0.33 0.57 3.02 -1.24 -4.59 115.26 108.43 1xr4 n ASN 75 Ca -0.03 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1xr4 n ASN 75 Cb 0.24 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.58 0.00 0.00 2.41 0.31 -0.65 -4.64 118.33 116.34 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 0.19 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 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 -0.13 3.52 0.00 -1.26 -1.35 120.51 121.29 1xr4 n ALA 79 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1xr4 n ALA 79 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.64 -0.14 0.00 1.79 -1.96 -0.97 116.57 115.93 1xr4 h LYS 80 Ca 0.00 -0.18 -0.06 0.00 -2.18 0.00 0.00 60.65 58.23 1xr4 h LYS 80 Cb 0.00 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1xr4 h LYS 80 CO 0.00 0.71 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.83 1xr4 h LEU 81 N 0.48 0.22 -0.07 2.94 3.38 -1.62 -2.91 115.31 117.73 1xr4 h LEU 81 Ca 0.12 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xr4 h LEU 81 Cb 0.38 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1xr4 h LEU 81 CO 0.01 0.41 -0.04 0.00 0.09 0.00 0.00 178.44 178.91 1xr4 h ALA 82 N 1.61 0.10 0.00 1.53 0.00 -1.76 -0.39 119.26 120.36 1xr4 h ALA 82 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xr4 h ALA 82 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xr4 h ALA 82 CO 0.03 -0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.53 1xr4 n GLU 83 N -4.76 0.06 -0.94 0.00 1.02 -0.39 -4.42 120.64 111.21 1xr4 n GLU 83 Ca -0.07 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.03 1xr4 n GLU 83 Cb 0.27 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1xr4 n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xr4 n GLY 85 N 1.34 0.66 3.77 0.62 0.00 -1.00 -5.09 105.19 105.48 1xr4 n GLY 85 Ca 0.00 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 3.19 0.12 1.61 0.08 -0.19 -5.04 117.98 117.75 1xr4 s PHE 86 Ca 0.04 1.51 0.06 0.00 0.12 0.00 0.00 56.93 58.66 1xr4 s PHE 86 Cb 0.05 -3.53 -0.04 0.00 -0.57 0.00 0.00 43.02 38.93 1xr4 s PHE 86 CO -0.02 -1.43 -0.14 1.03 -0.10 0.00 0.00 175.22 174.56 1xr4 s ARG 87 N -1.78 1.00 -1.64 0.44 1.81 -1.26 -4.30 118.95 113.22 1xr4 s ARG 87 Ca 0.49 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.28 1xr4 s ARG 87 Cb -0.36 -0.89 0.00 0.00 -0.45 0.00 0.00 34.95 33.25 1xr4 s ARG 87 CO 0.48 0.17 0.00 -0.25 -0.68 0.00 0.00 175.30 175.02 1xr4 n ASP 88 N 0.59 -5.06 -4.78 0.23 10.43 -0.26 -2.36 116.55 115.32 1xr4 n ASP 88 Ca -0.16 0.20 -0.34 0.00 2.57 0.00 0.00 54.79 57.05 1xr4 n ASP 88 Cb 0.57 -4.12 -0.01 0.00 1.84 0.00 0.00 41.12 39.40 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 -4.45 3.76 -0.14 0.64 1.43 -0.86 -3.59 118.68 115.48 1xr4 s LEU 89 Ca 0.00 2.06 -0.15 0.00 -1.03 0.00 0.00 54.13 55.01 1xr4 s LEU 89 Cb 0.00 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 1xr4 s LEU 89 CO 0.00 -1.07 0.36 -0.89 0.23 0.00 0.00 176.35 174.98 1xr4 s THR 90 N -1.91 5.25 -0.40 5.49 2.01 -1.26 -1.30 115.64 123.53 1xr4 s THR 90 Ca 0.70 0.69 -0.09 0.00 0.31 0.00 0.00 61.69 63.31 1xr4 s THR 90 Cb -0.20 -3.69 0.06 0.00 0.01 0.00 0.00 72.50 68.67 1xr4 s THR 90 CO 0.25 0.38 0.22 -0.22 -0.69 0.00 0.00 174.62 174.57 1xr4 s LEU 91 N 0.41 4.95 -0.73 4.42 2.96 0.44 -1.21 118.68 129.93 1xr4 s LEU 91 Ca 0.20 -1.37 0.03 0.00 -0.22 0.00 0.00 54.13 52.76 1xr4 s LEU 91 Cb -0.14 -1.97 0.34 0.00 0.50 0.00 0.00 46.19 44.92 1xr4 s LEU 91 CO 0.06 -0.48 1.30 0.00 -1.32 0.00 0.00 176.35 175.92 1xr4 n ALA 92 N 4.91 5.26 -1.77 5.97 0.00 -0.25 -1.49 120.51 133.14 1xr4 n ALA 92 Ca -0.11 -4.62 -0.40 0.00 0.00 0.00 0.00 53.44 48.31 1xr4 n ALA 92 Cb 0.44 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.67 6.16 0.45 0.00 0.15 -1.25 -3.67 113.70 112.88 1xr4 s SER 93 Ca 0.46 2.87 0.20 0.00 0.70 0.00 0.00 55.95 60.18 1xr4 s SER 93 Cb 0.27 -2.65 1.08 0.00 -1.71 0.00 0.00 66.02 63.00 1xr4 s SER 93 CO -0.15 -0.98 1.95 0.77 1.20 0.00 0.00 173.24 176.03 1xr4 h SER 94 N 2.65 0.00 -4.19 5.45 4.64 -1.71 -3.37 113.55 117.02 1xr4 h SER 94 Ca -0.50 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.83 1xr4 h SER 94 Cb 1.25 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.12 1xr4 h SER 94 CO 0.62 0.23 0.36 -0.55 -0.87 0.00 0.00 176.83 176.63 1xr4 s SER 95 N -6.55 -0.52 -0.11 4.97 0.15 -1.26 -2.04 113.70 108.34 1xr4 s SER 95 Ca -0.03 0.73 0.02 0.00 0.70 0.00 0.00 55.95 57.37 1xr4 s SER 95 Cb 0.14 0.64 -0.01 0.00 -1.71 0.00 0.00 66.02 65.08 1xr4 s SER 95 CO 0.65 -0.37 -0.16 -0.76 1.20 0.00 0.00 173.24 173.80 1xr4 s LEU 96 N -0.67 2.54 0.55 3.45 1.43 -0.90 -4.76 118.68 120.32 1xr4 s LEU 96 Ca -0.03 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1xr4 s LEU 96 Cb -0.02 -1.55 0.06 0.00 0.03 0.00 0.00 46.19 44.72 1xr4 s LEU 96 CO 0.03 0.19 0.61 0.27 0.23 0.00 0.00 176.35 177.67 1xr4 s ILE 97 N 0.20 1.95 -0.39 -0.59 -4.36 -1.26 -3.67 121.20 113.07 1xr4 s ILE 97 Ca -0.10 -1.23 0.22 0.00 -0.26 0.00 0.00 60.65 59.28 1xr4 s ILE 97 Cb -0.16 -2.18 0.28 0.00 1.25 0.00 0.00 42.46 41.66 1xr4 s ILE 97 CO 0.06 0.00 1.55 -2.24 0.24 0.00 0.00 174.94 174.55 1xr4 h ASP 98 N 0.46 0.00 0.09 4.36 3.04 -1.94 -2.39 116.42 120.04 1xr4 h ASP 98 Ca -0.33 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 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 0.49 0.06 0.00 0.00 -2.04 0.00 0.00 179.24 177.75 1xr4 n ALA 99 N -2.12 1.67 -0.33 4.15 0.00 -1.26 -2.13 120.51 120.48 1xr4 n ALA 99 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1xr4 n ALA 99 Cb 0.56 -1.14 0.25 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.16 1.56 0.21 0.00 8.25 -0.90 -4.51 115.22 118.67 1xr4 n HIS 100 Ca 0.05 -0.68 0.14 0.00 -0.26 0.00 0.00 57.72 56.97 1xr4 n HIS 100 Cb 0.05 -0.45 0.77 0.00 1.12 0.00 0.00 29.99 31.47 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 2.30 0.00 0.00 4.41 5.08 -1.65 -1.90 115.95 124.20 1xr4 h TRP 101 Ca 0.09 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.06 1xr4 h TRP 101 Cb 1.67 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.83 1xr4 h TRP 101 CO 0.82 0.00 0.00 -2.30 -1.28 0.00 0.00 178.44 175.68 1xr4 n PRO 102 N -4.15 0.09 0.23 0.12 -0.02 -1.26 -1.69 135.00 128.32 1xr4 n PRO 102 Ca 0.00 0.56 0.07 0.00 -2.02 0.00 0.00 63.50 62.11 1xr4 n PRO 102 Cb 0.23 -1.78 0.57 0.00 -0.02 0.00 0.00 33.50 32.49 1xr4 n PRO 102 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xr4 h LEU 103 N 0.00 0.03 -0.30 2.45 3.38 -1.72 -3.11 115.31 116.05 1xr4 h LEU 103 Ca 0.00 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1xr4 h LEU 103 Cb 0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 1xr4 h LEU 103 CO 0.00 0.10 -0.14 0.40 0.09 0.00 0.00 178.44 178.89 1xr4 h ILE 104 N 0.04 0.55 -0.81 1.22 2.04 -1.55 0.16 117.51 119.16 1xr4 h ILE 104 Ca 0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1xr4 h ILE 104 Cb 0.13 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1xr4 h ILE 104 CO 0.01 0.00 0.35 -0.33 0.00 0.00 0.00 178.15 178.18 1xr4 h GLU 105 N -0.10 1.19 -0.80 2.37 4.39 -1.76 -0.72 114.58 119.15 1xr4 h GLU 105 Ca 0.15 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1xr4 h GLU 105 Cb 0.34 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 1xr4 h GLU 105 CO -0.36 0.94 0.32 0.45 -1.16 0.00 0.00 179.01 179.20 1xr4 h HIS 106 N 1.17 1.22 -0.50 4.33 3.86 -1.35 -0.54 115.15 123.34 1xr4 h HIS 106 Ca 0.27 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 1xr4 h HIS 106 Cb 0.17 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1xr4 h HIS 106 CO 0.02 0.92 -0.09 0.82 0.86 0.00 0.00 177.93 180.46 1xr4 h ILE 107 N 1.17 1.27 -0.35 2.45 2.04 -0.40 -1.00 117.51 122.69 1xr4 h ILE 107 Ca 0.27 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1xr4 h ILE 107 Cb 0.22 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1xr4 h ILE 107 CO -0.02 0.42 0.10 0.11 0.00 0.00 0.00 178.15 178.76 1xr4 h LYS 108 N 0.80 0.50 -0.01 2.37 1.57 -0.89 -2.51 116.57 118.39 1xr4 h LYS 108 Ca 0.13 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1xr4 h LYS 108 Cb 0.64 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1xr4 h LYS 108 CO 0.04 0.45 -0.02 0.09 -0.57 0.00 0.00 179.45 179.45 1xr4 n ASN 109 N -4.36 1.28 0.00 0.86 3.02 -0.23 -4.93 115.26 110.89 1xr4 n ASN 109 Ca 0.02 -1.38 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 1xr4 n ASN 109 Cb 0.17 0.01 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 1.17 0.69 0.29 7.41 0.00 -0.93 -4.93 105.19 108.88 1xr4 n GLY 110 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.34 1.61 2.07 -1.38 -0.68 116.25 115.69 1xr4 h VAL 111 Ca 0.00 -0.52 -0.52 0.00 0.82 0.00 0.00 66.70 66.48 1xr4 h VAL 111 Cb 0.00 0.75 -0.35 0.00 -1.52 0.00 0.00 31.29 30.18 1xr4 h VAL 111 CO 0.00 0.19 -0.81 -0.69 0.02 0.00 0.00 177.57 176.28 1xr4 s VAL 112 N -5.20 1.11 -0.24 2.57 1.01 -1.24 -2.02 120.40 116.40 1xr4 s VAL 112 Ca -0.08 -0.42 0.13 0.00 0.00 0.00 0.00 61.98 61.60 1xr4 s VAL 112 Cb 0.16 -1.05 -0.17 0.00 0.00 0.00 0.00 36.38 35.32 1xr4 s VAL 112 CO 0.75 0.36 0.38 -2.11 0.00 0.00 0.00 175.10 174.48 1xr4 n ARG 113 N 4.19 1.38 -3.83 2.72 1.85 -0.42 -4.61 116.66 117.94 1xr4 n ARG 113 Ca -0.20 -0.07 -0.13 0.00 -1.00 0.00 0.00 57.85 56.46 1xr4 n ARG 113 Cb 0.51 -1.22 -0.14 0.00 -1.05 0.00 0.00 32.46 30.57 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 -2.60 0.07 -0.08 2.89 2.00 -1.20 -4.51 119.66 116.22 1xr4 s GLN 114 Ca -0.01 0.12 0.03 0.00 -2.00 0.00 0.00 55.36 53.50 1xr4 s GLN 114 Cb 0.09 -0.01 0.01 0.00 0.80 0.00 0.00 33.01 33.90 1xr4 s GLN 114 CO 0.52 -0.04 -0.16 0.42 -0.50 0.00 0.00 175.29 175.53 1xr4 s ILE 115 N 0.22 1.49 -0.16 -2.34 1.01 -1.26 -0.42 121.20 119.75 1xr4 s ILE 115 Ca -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 1xr4 s ILE 115 Cb -0.03 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1xr4 s ILE 115 CO -0.01 0.43 -0.10 -0.31 0.00 0.00 0.00 174.94 174.96 1xr4 s TYR 116 N 0.62 2.87 0.16 3.97 2.02 -0.56 -1.81 117.35 124.63 1xr4 s TYR 116 Ca -0.15 -0.73 -0.20 0.00 -0.37 0.00 0.00 57.07 55.62 1xr4 s TYR 116 Cb -0.16 -1.93 0.05 0.00 -0.40 0.00 0.00 41.96 39.52 1xr4 s TYR 116 CO 0.04 -0.31 0.54 -0.08 -1.57 0.00 0.00 175.55 174.17 1xr4 s THR 117 N 0.70 0.02 -0.33 -0.71 -1.32 -0.83 -3.78 115.64 109.39 1xr4 s THR 117 Ca -0.05 -0.31 0.21 0.00 -1.21 0.00 0.00 61.69 60.32 1xr4 s THR 117 Cb -0.15 -1.17 -0.29 0.00 -1.51 0.00 0.00 72.50 69.38 1xr4 s THR 117 CO 0.02 -0.10 0.59 -1.54 -2.21 0.00 0.00 174.62 171.37 1xr4 n SER 118 N -0.34 0.48 -3.99 8.08 3.41 -0.86 -1.75 113.62 118.66 1xr4 n SER 118 Ca -0.15 -0.32 -0.15 0.00 -0.26 0.00 0.00 58.87 57.99 1xr4 n SER 118 Cb 0.64 1.63 -0.13 0.00 -0.26 0.00 0.00 64.21 66.09 1xr4 n SER 118 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xr4 s GLY 119 N -3.90 0.33 -0.18 5.00 0.00 -1.26 0.43 107.32 107.75 1xr4 s GLY 119 Ca -0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.26 1xr4 s GLY 119 CO 0.85 -0.38 0.15 1.08 0.00 0.00 0.00 173.10 174.80 1xr4 s LEU 120 N -0.58 0.11 0.00 0.66 1.43 -0.95 -2.12 118.68 117.23 1xr4 s LEU 120 Ca -0.02 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1xr4 s LEU 120 Cb -0.05 0.08 -0.00 0.00 0.03 0.00 0.00 46.19 46.25 1xr4 s LEU 120 CO -0.00 -0.33 0.01 -2.11 0.23 0.00 0.00 176.35 174.15 1xr4 n ARG 121 N 5.30 0.56 0.00 1.70 1.85 -1.24 -3.40 116.66 121.43 1xr4 n ARG 121 Ca -0.06 -0.16 0.00 0.00 -1.00 0.00 0.00 57.85 56.63 1xr4 n ARG 121 Cb 0.49 0.10 0.00 0.00 -1.05 0.00 0.00 32.46 32.00 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 1.32 0.58 0.19 2.89 0.00 -1.26 -2.72 105.19 106.20 1xr4 n GLY 122 Ca -0.00 -0.78 0.01 0.00 0.00 0.00 0.00 46.02 45.24 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 0.12 -0.59 1.61 1.57 -1.93 -3.00 116.57 114.35 1xr4 h LYS 123 Ca 0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1xr4 h LYS 123 Cb 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1xr4 h LYS 123 CO 0.00 0.47 0.30 1.25 -0.57 0.00 0.00 179.45 180.90 1xr4 h LEU 124 N 0.10 0.75 -0.59 2.94 5.85 -1.87 -0.14 115.31 122.35 1xr4 h LEU 124 Ca 0.01 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1xr4 h LEU 124 Cb 0.70 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1xr4 h LEU 124 CO 0.05 0.65 0.30 1.23 -0.34 0.00 0.00 178.44 180.33 1xr4 h GLY 125 N 0.79 0.89 0.68 3.75 0.00 -1.39 -0.68 103.07 107.12 1xr4 h GLY 125 Ca 0.20 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.15 1xr4 h GLY 125 CO -0.03 0.41 0.23 0.83 0.00 0.00 0.00 176.54 177.99 1xr4 h GLU 126 N 0.80 0.44 -0.43 4.80 5.08 -1.34 -1.67 114.58 122.25 1xr4 h GLU 126 Ca 0.20 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 1xr4 h GLU 126 Cb 0.09 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1xr4 h GLU 126 CO -0.03 0.29 -0.29 0.93 -1.00 0.00 0.00 179.01 178.91 1xr4 h GLU 127 N 0.46 0.95 -0.87 2.33 4.39 -0.84 -2.14 114.58 118.86 1xr4 h GLU 127 Ca 0.22 -0.45 0.02 0.00 0.34 0.00 0.00 59.36 59.50 1xr4 h GLU 127 Cb 0.16 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 1xr4 h GLU 127 CO -0.18 1.11 0.57 0.82 -1.16 0.00 0.00 179.01 180.18 1xr4 h ILE 128 N 0.80 1.18 -0.01 3.13 1.08 -0.99 -1.19 117.51 121.52 1xr4 h ILE 128 Ca 0.09 -0.39 -0.07 0.00 -0.39 0.00 0.00 64.86 64.10 1xr4 h ILE 128 Cb 0.88 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 1xr4 h ILE 128 CO 0.08 0.21 -0.33 0.28 -0.69 0.00 0.00 178.15 177.70 1xr4 h SER 129 N 1.14 0.02 1.75 1.72 0.02 -1.16 -2.36 113.55 114.68 1xr4 h SER 129 Ca 0.33 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1xr4 h SER 129 Cb -0.07 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1xr4 h SER 129 CO -0.09 0.35 -0.07 0.00 -1.14 0.00 0.00 176.83 175.87 1xr4 h ALA 130 N 1.65 0.96 0.00 3.77 0.00 -1.14 -1.53 119.26 122.96 1xr4 h ALA 130 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xr4 h ALA 130 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xr4 h ALA 130 CO 0.04 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1xr4 n GLY 131 N 0.93 0.91 0.00 0.00 0.00 -0.66 -4.88 105.19 101.49 1xr4 n GLY 131 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.10 0.99 7.94 -0.54 -5.00 117.00 120.29 1xr4 n LEU 132 Ca 0.00 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.69 1xr4 n LEU 132 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1xr4 n LEU 132 CO 0.00 0.00 -1.15 1.21 -1.11 0.00 0.00 177.39 176.34 1xr4 n GLU 134 N -0.51 0.45 -2.35 1.96 2.13 -1.26 -4.86 120.64 116.21 1xr4 n GLU 134 Ca 0.00 0.20 -0.42 0.00 0.66 0.00 0.00 57.16 57.59 1xr4 n GLU 134 Cb 0.00 -1.26 -0.03 0.00 0.27 0.00 0.00 31.44 30.42 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 -6.81 6.97 0.29 4.31 0.02 -1.26 -5.01 114.94 113.46 1xr4 s ASN 135 Ca -0.29 2.01 -0.29 0.00 -1.02 0.00 0.00 52.86 53.27 1xr4 s ASN 135 Cb 0.10 -2.57 -0.10 0.00 0.02 0.00 0.00 41.25 38.70 1xr4 s ASN 135 CO 0.37 -0.60 1.43 -2.84 0.02 0.00 0.00 177.10 175.48 1xr4 s PRO 136 N 1.85 4.25 0.32 -0.60 0.02 -1.26 -4.90 135.00 134.68 1xr4 s PRO 136 Ca 0.60 2.35 -0.29 0.00 0.02 0.00 0.00 61.00 63.68 1xr4 s PRO 136 Cb -0.29 -3.07 -0.11 0.00 0.02 0.00 0.00 34.50 31.05 1xr4 s PRO 136 CO 0.26 -0.40 1.46 0.08 -0.33 0.00 0.00 177.00 178.07 1xr4 s VAL 137 N -0.45 2.34 -0.35 3.83 1.01 -0.91 -4.75 120.40 121.12 1xr4 s VAL 137 Ca 0.56 0.32 -0.18 0.00 0.00 0.00 0.00 61.98 62.68 1xr4 s VAL 137 Cb -0.43 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1xr4 s VAL 137 CO 0.49 0.06 0.51 -1.10 0.00 0.00 0.00 175.10 175.06 1xr4 s GLN 138 N -1.27 3.60 -0.23 2.72 -1.52 -0.75 0.16 119.66 122.38 1xr4 s GLN 138 Ca 0.56 -0.19 -0.08 0.00 -1.95 0.00 0.00 55.36 53.70 1xr4 s GLN 138 Cb -0.44 -3.81 -0.04 0.00 -0.22 0.00 0.00 33.01 28.49 1xr4 s GLN 138 CO 0.53 -0.65 0.10 0.42 -0.25 0.00 0.00 175.29 175.44 1xr4 s ILE 139 N 2.38 4.81 0.15 1.08 1.01 -0.12 -1.96 121.20 128.55 1xr4 s ILE 139 Ca 0.18 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.90 1xr4 s ILE 139 Cb -0.15 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1xr4 s ILE 139 CO 0.13 0.38 -0.17 -1.38 0.00 0.00 0.00 174.94 173.90 1xr4 s HIS 140 N 1.05 1.66 0.95 3.97 -3.43 -0.71 -0.61 115.29 118.16 1xr4 s HIS 140 Ca 0.05 -0.51 -0.12 0.00 -0.80 0.00 0.00 55.06 53.69 1xr4 s HIS 140 Cb -0.14 -0.84 0.16 0.00 -1.43 0.00 0.00 32.58 30.34 1xr4 s HIS 140 CO 0.04 0.26 1.09 -1.54 -2.00 0.00 0.00 174.74 172.58 1xr4 s SER 141 N -2.60 2.96 0.19 7.38 1.04 -1.26 -4.00 113.70 117.41 1xr4 s SER 141 Ca 0.13 1.40 -0.12 0.00 0.48 0.00 0.00 55.95 57.84 1xr4 s SER 141 Cb -0.05 -2.07 0.16 0.00 0.10 0.00 0.00 66.02 64.15 1xr4 s SER 141 CO 0.05 -2.95 1.79 0.45 0.98 0.00 0.00 173.24 173.56 1xr4 h HIS 142 N -1.76 0.49 0.00 5.02 3.86 -0.85 -1.50 115.15 120.41 1xr4 h HIS 142 Ca -0.52 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 58.60 1xr4 h HIS 142 Cb 1.30 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.62 1xr4 h HIS 142 CO 0.37 0.23 -0.55 0.78 0.86 0.00 0.00 177.93 179.62 1xr4 h GLY 143 N 0.52 0.00 1.80 2.45 0.00 -1.82 -3.13 103.07 102.89 1xr4 h GLY 143 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.48 1xr4 h GLY 143 CO -0.17 0.00 -0.31 -1.33 0.00 0.00 0.00 176.54 174.73 1xr4 h GLY 144 N 2.17 0.25 0.65 4.60 0.00 -1.61 -3.00 103.07 106.12 1xr4 h GLY 144 Ca -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.14 1xr4 h GLY 144 CO 0.07 0.18 -0.17 -0.09 0.00 0.00 0.00 176.54 176.54 1xr4 h ARG 145 N 0.20 -0.28 -0.67 4.80 2.43 -1.23 -1.81 114.38 117.81 1xr4 h ARG 145 Ca 0.03 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1xr4 h ARG 145 Cb 0.65 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 1xr4 h ARG 145 CO 0.05 -0.19 0.35 0.28 -1.51 0.00 0.00 179.97 178.95 1xr4 h VAL 146 N -0.29 0.91 -0.53 0.20 2.07 -1.61 -2.16 116.25 114.84 1xr4 h VAL 146 Ca 0.04 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1xr4 h VAL 146 Cb 0.34 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1xr4 h VAL 146 CO -0.13 0.11 0.26 0.50 0.02 0.00 0.00 177.57 178.33 1xr4 h LYS 147 N 0.63 0.76 -0.56 1.57 3.64 -1.39 -1.45 116.57 119.77 1xr4 h LYS 147 Ca 0.31 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1xr4 h LYS 147 Cb 0.26 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1xr4 h LYS 147 CO -0.22 0.62 0.37 -0.07 -2.27 0.00 0.00 179.45 177.88 1xr4 h LEU 148 N 0.71 0.51 0.10 5.20 3.38 -0.94 -0.55 115.31 123.72 1xr4 h LEU 148 Ca 0.18 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xr4 h LEU 148 Cb 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xr4 h LEU 148 CO -0.02 0.34 -0.05 0.40 0.09 0.00 0.00 178.44 179.20 1xr4 h ILE 149 N 0.59 1.12 -0.05 1.22 2.04 -0.98 -1.13 117.51 120.32 1xr4 h ILE 149 Ca 0.23 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1xr4 h ILE 149 Cb 0.18 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1xr4 h ILE 149 CO -0.06 0.25 -0.01 1.56 0.00 0.00 0.00 178.15 179.89 1xr4 h GLN 150 N -0.66 0.07 -0.00 2.37 4.20 -1.18 -2.24 115.11 117.68 1xr4 h GLN 150 Ca -0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1xr4 h GLN 150 Cb 0.52 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1xr4 h GLN 150 CO 0.02 0.09 -0.03 -1.13 -0.67 0.00 0.00 178.83 177.11 1xr4 n SER 151 N -4.48 0.13 0.00 1.46 3.41 -0.22 -4.90 113.62 109.02 1xr4 n SER 151 Ca -0.02 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1xr4 n SER 151 Cb 0.12 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1xr4 n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xr4 n GLY 152 N 1.27 1.21 0.10 5.00 0.00 -0.84 -4.92 105.19 107.02 1xr4 n GLY 152 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 3.10 0.18 -4.32 1.61 4.81 -1.63 -3.39 114.58 114.94 1xr4 h GLU 153 Ca 0.00 -0.11 -0.73 0.00 -0.13 0.00 0.00 59.36 58.39 1xr4 h GLU 153 Cb 0.00 0.01 -0.27 0.00 0.63 0.00 0.00 28.75 29.12 1xr4 h GLU 153 CO 0.00 0.69 -0.39 -1.17 -0.73 0.00 0.00 179.01 177.41 1xr4 s LEU 154 N -9.02 5.56 -0.32 1.64 2.96 -0.49 -5.01 118.68 114.01 1xr4 s LEU 154 Ca -0.15 -1.67 -0.08 0.00 -0.22 0.00 0.00 54.13 52.01 1xr4 s LEU 154 Cb 0.03 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.68 1xr4 s LEU 154 CO 0.72 -0.66 0.12 0.20 -1.32 0.00 0.00 176.35 175.42 1xr4 s ASN 155 N 2.60 5.35 -0.21 3.68 0.01 -1.26 -4.01 114.94 121.09 1xr4 s ASN 155 Ca 0.04 -0.80 -0.21 0.00 -0.71 0.00 0.00 52.86 51.18 1xr4 s ASN 155 Cb -0.25 -1.93 -0.02 0.00 0.41 0.00 0.00 41.25 39.46 1xr4 s ASN 155 CO 0.02 -0.25 0.63 -0.63 -1.51 0.00 0.00 177.10 175.36 1xr4 s ILE 156 N 1.51 5.01 -0.13 0.60 1.01 -1.26 -4.48 121.20 123.46 1xr4 s ILE 156 Ca 0.02 1.18 -0.26 0.00 0.00 0.00 0.00 60.65 61.59 1xr4 s ILE 156 Cb -0.18 -3.94 -0.26 0.00 0.01 0.00 0.00 42.46 38.09 1xr4 s ILE 156 CO 0.04 0.09 0.70 0.44 0.00 0.00 0.00 174.94 176.21 1xr4 h ASP 157 N 7.57 0.09 -3.24 3.58 3.32 -1.42 0.68 116.42 127.00 1xr4 h ASP 157 Ca -0.30 -0.92 -0.47 0.00 0.02 0.00 0.00 57.03 55.36 1xr4 h ASP 157 Cb 1.14 -0.03 -0.37 0.00 0.22 0.00 0.00 39.33 40.28 1xr4 h ASP 157 CO 0.77 1.16 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.98 1xr4 s VAL 158 N -2.28 0.61 -0.14 -1.35 1.01 -1.08 -0.83 120.40 116.34 1xr4 s VAL 158 Ca -0.20 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 1xr4 s VAL 158 Cb -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1xr4 s VAL 158 CO 0.70 0.30 0.38 0.00 0.00 0.00 0.00 175.10 176.48 1xr4 s ALA 159 N 1.81 3.54 -0.57 5.51 0.00 0.65 -1.34 121.76 131.36 1xr4 s ALA 159 Ca 0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 1xr4 s ALA 159 Cb -0.12 -2.51 0.15 0.00 0.00 0.00 0.00 23.12 20.63 1xr4 s ALA 159 CO -0.06 0.05 0.43 -0.06 0.00 0.00 0.00 175.76 176.13 1xr4 s PHE 160 N 0.52 3.49 -0.37 0.00 0.08 0.66 -0.53 117.98 121.83 1xr4 s PHE 160 Ca 0.21 -2.13 -0.07 0.00 0.12 0.00 0.00 56.93 55.06 1xr4 s PHE 160 Cb -0.14 -3.47 0.06 0.00 -0.57 0.00 0.00 43.02 38.90 1xr4 s PHE 160 CO 0.07 -0.96 0.16 -0.51 -0.10 0.00 0.00 175.22 173.88 1xr4 s LEU 161 N 0.80 4.63 0.20 -0.37 1.43 0.28 -4.34 118.68 121.30 1xr4 s LEU 161 Ca 0.11 -1.31 -0.30 0.00 -1.03 0.00 0.00 54.13 51.60 1xr4 s LEU 161 Cb -0.22 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 44.02 1xr4 s LEU 161 CO -0.03 -0.40 1.26 -0.83 0.23 0.00 0.00 176.35 176.58 1xr4 s GLY 162 N 1.63 2.57 -0.00 -3.19 0.00 -1.26 -1.17 107.32 105.91 1xr4 s GLY 162 Ca 0.00 1.05 -0.02 0.00 0.00 0.00 0.00 44.72 45.75 1xr4 s GLY 162 CO 0.02 1.97 0.04 -1.34 0.00 0.00 0.00 173.10 173.79 1xr4 s VAL 163 N -0.01 0.06 -0.23 1.40 -7.23 0.06 -4.90 120.40 109.55 1xr4 s VAL 163 Ca 0.55 -0.51 0.18 0.00 -1.81 0.00 0.00 61.98 60.39 1xr4 s VAL 163 Cb -0.35 -0.23 0.17 0.00 0.56 0.00 0.00 36.38 36.53 1xr4 s VAL 163 CO 0.38 -0.28 1.53 1.55 -0.31 0.00 0.00 175.10 177.97 1xr4 h PRO 164 N 5.11 0.00 -3.26 4.82 0.13 -1.78 -2.82 132.00 134.20 1xr4 h PRO 164 Ca -0.29 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.72 1xr4 h PRO 164 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 1xr4 h PRO 164 CO 0.43 0.31 -0.34 0.00 -0.23 0.00 0.00 178.00 178.18 1xr4 s ASP 167 N -1.15 5.52 0.57 0.00 1.47 -0.80 -0.09 116.67 122.19 1xr4 s ASP 167 Ca -0.11 -0.14 0.32 0.00 1.18 0.00 0.00 52.55 53.80 1xr4 s ASP 167 Cb -0.02 -0.90 1.45 0.00 -0.34 0.00 0.00 42.92 43.11 1xr4 s ASP 167 CO 0.08 -0.91 1.79 -0.08 0.68 0.00 0.00 175.17 176.73 1xr4 h GLU 168 N 0.36 0.00 0.00 2.11 4.81 -1.92 -1.66 114.58 118.29 1xr4 h GLU 168 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1xr4 h GLU 168 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1xr4 h GLU 168 CO 0.50 0.00 -1.19 0.34 -0.73 0.00 0.00 179.01 177.94 1xr4 n PHE 169 N -3.91 0.07 0.00 0.92 -0.00 -1.26 -4.70 117.46 108.58 1xr4 n PHE 169 Ca 0.18 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 1xr4 n PHE 169 Cb 1.03 -0.23 0.00 0.00 -0.00 0.00 0.00 39.48 40.28 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 1.42 1.28 3.64 7.13 0.00 -0.62 -4.39 105.19 113.63 1xr4 n GLY 170 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 6.88 0.16 1.61 0.01 -1.26 -3.97 114.94 116.37 1xr4 s ASN 171 Ca 0.00 1.08 0.08 0.00 -0.71 0.00 0.00 52.86 53.31 1xr4 s ASN 171 Cb 0.00 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 1xr4 s ASN 171 CO 0.00 -0.92 -0.17 0.00 -1.51 0.00 0.00 177.10 174.50 1xr4 s ALA 172 N 3.79 1.87 0.33 0.60 0.00 0.50 -1.91 121.76 126.94 1xr4 s ALA 172 Ca 0.48 -1.46 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 1xr4 s ALA 172 Cb -0.13 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1xr4 s ALA 172 CO 0.17 0.18 0.52 0.27 0.00 0.00 0.00 175.76 176.89 1xr4 n ASN 173 N 0.27 -1.46 -1.37 0.00 0.23 -1.16 -0.87 115.26 110.89 1xr4 n ASN 173 Ca -0.13 -2.64 -0.08 0.00 -0.53 0.00 0.00 54.58 51.20 1xr4 n ASN 173 Cb 0.57 2.62 0.20 0.00 -2.08 0.00 0.00 39.78 41.10 1xr4 n ASN 173 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xr4 n GLY 174 N -0.51 4.76 0.00 4.83 0.00 -1.25 -3.68 105.19 109.34 1xr4 n GLY 174 Ca -0.02 -1.19 0.04 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.08 0.00 -4.41 1.61 3.72 -1.26 -1.74 117.46 114.30 1xr4 n PHE 175 Ca 0.38 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.58 1xr4 n PHE 175 Cb 1.16 -0.08 -0.11 0.00 -0.94 0.00 0.00 39.48 39.51 1xr4 n PHE 175 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1xr4 s SER 176 N -2.28 2.03 0.00 4.37 0.15 -1.26 -4.98 113.70 111.72 1xr4 s SER 176 Ca 0.00 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.28 1xr4 s SER 176 Cb 0.06 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1xr4 s SER 176 CO 0.34 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1xr4 n GLY 177 N -0.62 -1.16 0.06 9.45 0.00 -1.26 -3.59 105.19 108.07 1xr4 n GLY 177 Ca -0.02 -1.77 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 0.40 -2.07 1.61 5.02 -1.26 -4.68 118.16 117.18 1xr4 n LYS 178 Ca 0.00 0.46 -0.42 0.00 -2.02 0.00 0.00 58.31 56.32 1xr4 n LYS 178 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 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 -4.29 4.42 -4.55 4.39 7.64 -1.26 -4.68 113.62 115.28 1xr4 n SER 179 Ca -0.07 -2.94 -0.41 0.00 1.01 0.00 0.00 58.87 56.46 1xr4 n SER 179 Cb 0.25 -1.61 -0.03 0.00 -1.01 0.00 0.00 64.21 61.82 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 2.37 3.64 0.30 1.43 0.52 -1.26 -4.47 118.95 121.47 1xr4 s ARG 180 Ca 0.45 -1.27 0.22 0.00 -0.52 0.00 0.00 55.73 54.61 1xr4 s ARG 180 Cb 0.11 -5.34 0.13 0.00 0.52 0.00 0.00 34.95 30.37 1xr4 s ARG 180 CO -0.04 -2.18 1.30 0.00 0.02 0.00 0.00 175.30 174.40 1xr4 n GLY 182 N 1.17 1.46 3.73 0.00 0.00 -0.71 -4.29 105.19 106.54 1xr4 n GLY 182 Ca 0.01 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 6.74 -0.33 1.61 0.15 -1.26 -3.80 113.70 112.82 1xr4 s SER 183 Ca 0.00 2.52 0.08 0.00 0.70 0.00 0.00 55.95 59.25 1xr4 s SER 183 Cb 0.00 -2.61 0.56 0.00 -1.71 0.00 0.00 66.02 62.26 1xr4 s SER 183 CO 0.00 -0.67 1.59 0.18 1.20 0.00 0.00 173.24 175.54 1xr4 n LEU 184 N 3.03 4.84 -0.01 3.45 4.77 -1.26 -4.51 117.00 127.32 1xr4 n LEU 184 Ca 0.09 -3.69 0.17 0.00 -0.03 0.00 0.00 56.01 52.55 1xr4 n LEU 184 Cb 0.41 -0.69 0.63 0.00 -2.33 0.00 0.00 43.42 41.44 1xr4 n LEU 184 CO 0.60 1.17 1.18 1.23 -1.33 0.00 0.00 177.39 180.24 1xr4 h GLY 185 N 1.09 0.19 0.91 -0.72 0.00 -1.70 -0.97 103.07 101.86 1xr4 h GLY 185 Ca 0.32 -0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.47 1xr4 h GLY 185 CO 0.57 0.02 -0.40 -0.97 0.00 0.00 0.00 176.54 175.77 1xr4 h TYR 186 N 0.12 0.74 -0.16 5.60 0.05 -1.86 -1.78 116.97 119.68 1xr4 h TYR 186 Ca 0.25 -0.28 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1xr4 h TYR 186 Cb 0.82 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 1xr4 h TYR 186 CO -0.00 1.03 0.07 0.00 -1.05 0.00 0.00 178.16 178.21 1xr4 h ALA 187 N 0.57 1.83 0.00 3.88 0.00 -1.59 -2.82 119.26 121.12 1xr4 h ALA 187 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xr4 h ALA 187 Cb 1.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1xr4 h ALA 187 CO 0.09 0.15 -0.01 1.96 0.00 0.00 0.00 179.25 181.43 1xr4 h GLN 188 N 0.22 0.00 -0.10 0.00 4.20 -1.34 0.51 115.11 118.59 1xr4 h GLN 188 Ca 0.06 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 1xr4 h GLN 188 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1xr4 h GLN 188 CO -0.01 0.01 -0.35 0.28 -0.67 0.00 0.00 178.83 178.10 1xr4 h VAL 189 N 0.00 1.39 -0.28 -0.54 2.07 -1.64 -2.94 116.25 114.31 1xr4 h VAL 189 Ca -0.00 -1.68 -0.09 0.00 0.82 0.00 0.00 66.70 65.75 1xr4 h VAL 189 Cb 0.02 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1xr4 h VAL 189 CO 0.00 0.49 -0.17 0.44 0.02 0.00 0.00 177.57 178.35 1xr4 h ASP 190 N -0.02 0.64 -1.09 0.57 3.45 -1.52 -2.46 116.42 115.99 1xr4 h ASP 190 Ca -0.01 -0.43 0.30 0.00 0.43 0.00 0.00 57.03 57.31 1xr4 h ASP 190 Cb 0.97 -0.18 -0.10 0.00 -0.56 0.00 0.00 39.33 39.47 1xr4 h ASP 190 CO 0.07 0.93 0.70 0.00 -1.57 0.00 0.00 179.24 179.37 1xr4 h ALA 191 N 0.73 2.31 0.00 3.45 0.00 -0.98 -1.22 119.26 123.56 1xr4 h ALA 191 Ca 0.06 0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 1xr4 h ALA 191 Cb 0.71 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1xr4 h ALA 191 CO 0.05 -0.76 -1.65 0.94 0.00 0.00 0.00 179.25 177.83 1xr4 n GLN 192 N -4.65 0.63 -0.02 0.00 -0.06 -1.08 -4.65 117.38 107.55 1xr4 n GLN 192 Ca 0.27 0.27 0.02 0.00 -2.00 0.00 0.00 57.00 55.56 1xr4 n GLN 192 Cb 0.98 -1.79 -0.08 0.00 -4.06 0.00 0.00 30.24 25.28 1xr4 n GLN 192 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1xr4 n TYR 193 N -2.99 0.00 -1.79 3.69 4.01 -0.95 -5.01 117.16 114.12 1xr4 n TYR 193 Ca -0.15 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.20 1xr4 n TYR 193 Cb 0.99 -0.34 0.04 0.00 -0.31 0.00 0.00 39.34 39.73 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 -2.60 2.84 0.24 -0.72 0.00 -0.49 -4.71 121.76 116.33 1xr4 s ALA 194 Ca -0.04 1.33 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 1xr4 s ALA 194 Cb 0.06 -3.57 0.28 0.00 0.00 0.00 0.00 23.12 19.89 1xr4 s ALA 194 CO 0.45 -1.35 1.67 0.87 0.00 0.00 0.00 175.76 177.40 1xr4 h LYS 195 N 1.52 0.66 -3.95 0.00 1.79 -0.87 -3.43 116.57 112.28 1xr4 h LYS 195 Ca -0.51 -0.25 -0.46 0.00 -2.18 0.00 0.00 60.65 57.25 1xr4 h LYS 195 Cb 1.30 -0.04 -0.37 0.00 -1.58 0.00 0.00 32.23 31.54 1xr4 h LYS 195 CO 0.57 0.83 -0.78 0.00 -1.08 0.00 0.00 179.45 179.00 1xr4 s VAL 197 N 1.60 4.13 -0.28 0.00 1.01 -1.26 -0.25 120.40 125.35 1xr4 s VAL 197 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 1xr4 s VAL 197 Cb -0.13 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1xr4 s VAL 197 CO -0.04 -0.01 0.11 -0.69 0.00 0.00 0.00 175.10 174.46 1xr4 s VAL 198 N 1.51 4.50 0.04 2.92 1.01 0.31 -1.43 120.40 129.26 1xr4 s VAL 198 Ca 0.02 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1xr4 s VAL 198 Cb -0.18 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1xr4 s VAL 198 CO 0.04 0.22 0.51 -0.76 0.00 0.00 0.00 175.10 175.10 1xr4 s LEU 199 N 1.62 4.50 -0.29 3.92 1.43 0.35 -0.56 118.68 129.65 1xr4 s LEU 199 Ca 0.06 1.15 -0.03 0.00 -1.03 0.00 0.00 54.13 54.27 1xr4 s LEU 199 Cb -0.16 -2.78 0.04 0.00 0.03 0.00 0.00 46.19 43.31 1xr4 s LEU 199 CO 0.05 0.28 0.02 -0.76 0.23 0.00 0.00 176.35 176.17 1xr4 s LEU 200 N -1.05 3.80 0.09 1.79 1.02 -0.31 -1.78 118.68 122.24 1xr4 s LEU 200 Ca 0.27 -1.08 0.04 0.00 0.02 0.00 0.00 54.13 53.39 1xr4 s LEU 200 Cb -0.18 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 1xr4 s LEU 200 CO 0.17 -0.23 0.01 0.28 0.02 0.00 0.00 176.35 176.60 1xr4 s THR 201 N 1.33 4.10 -0.06 5.49 -1.32 0.16 -0.76 115.64 124.57 1xr4 s THR 201 Ca -0.02 -0.95 0.13 0.00 -1.21 0.00 0.00 61.69 59.64 1xr4 s THR 201 Cb -0.19 -2.95 -0.14 0.00 -1.51 0.00 0.00 72.50 67.71 1xr4 s THR 201 CO -0.01 0.12 0.98 -0.33 -2.21 0.00 0.00 174.62 173.18 1xr4 h GLU 202 N 3.43 0.00 -3.16 7.08 5.08 -1.54 0.20 114.58 125.68 1xr4 h GLU 202 Ca -0.48 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.72 1xr4 h GLU 202 Cb 1.16 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.15 1xr4 h GLU 202 CO 0.61 0.52 -0.45 -2.00 -1.00 0.00 0.00 179.01 176.69 1xr4 s GLU 203 N -2.80 0.27 0.19 2.33 2.12 -1.07 -4.75 118.70 114.99 1xr4 s GLU 203 Ca -0.01 0.34 -0.12 0.00 0.36 0.00 0.00 54.97 55.54 1xr4 s GLU 203 Cb 0.09 0.12 -0.07 0.00 0.26 0.00 0.00 34.13 34.52 1xr4 s GLU 203 CO 0.80 -0.04 0.55 -1.58 -0.54 0.00 0.00 175.26 174.45 1xr4 s TRP 204 N 0.20 3.51 0.03 5.30 0.52 -1.26 -1.40 118.94 125.84 1xr4 s TRP 204 Ca -0.01 0.96 0.01 0.00 0.02 0.00 0.00 56.10 57.09 1xr4 s TRP 204 Cb -0.02 -2.31 -0.02 0.00 -1.15 0.00 0.00 33.47 29.96 1xr4 s TRP 204 CO -0.00 0.34 -0.06 0.08 0.02 0.00 0.00 176.95 177.33 1xr4 s VAL 205 N -1.65 0.39 0.10 4.03 1.01 0.88 -4.86 120.40 120.30 1xr4 s VAL 205 Ca 0.43 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 1xr4 s VAL 205 Cb -0.13 -0.48 -0.09 0.00 0.00 0.00 0.00 36.38 35.69 1xr4 s VAL 205 CO 0.20 -0.41 1.54 -1.61 0.00 0.00 0.00 175.10 174.82 1xr4 s GLU 206 N -1.49 4.24 0.31 2.72 2.02 -1.26 -4.16 118.70 121.08 1xr4 s GLU 206 Ca -0.12 2.25 -0.30 0.00 0.02 0.00 0.00 54.97 56.83 1xr4 s GLU 206 Cb -0.10 -3.37 -0.11 0.00 0.10 0.00 0.00 34.13 30.65 1xr4 s GLU 206 CO -0.00 -0.61 1.57 0.12 0.02 0.00 0.00 175.26 176.35 1xr4 s PHE 207 N 1.77 2.73 0.04 1.61 5.36 -1.26 -3.33 117.98 124.90 1xr4 s PHE 207 Ca 0.70 0.87 -0.22 0.00 -0.96 0.00 0.00 56.93 57.32 1xr4 s PHE 207 Cb -0.40 -4.05 -0.06 0.00 -0.34 0.00 0.00 43.02 38.17 1xr4 s PHE 207 CO 0.31 -3.43 0.65 -1.25 -1.46 0.00 0.00 175.22 170.04 1xr4 s PRO 208 N -0.83 4.37 0.16 10.12 0.04 -1.26 -5.14 135.00 142.46 1xr4 s PRO 208 Ca 0.61 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1xr4 s PRO 208 Cb -0.47 -3.32 -0.08 0.00 0.04 0.00 0.00 34.50 30.67 1xr4 s PRO 208 CO 0.51 0.42 1.32 1.21 0.04 0.00 0.00 177.00 180.50 1xr4 s ASN 209 N -0.44 6.89 -0.02 6.66 2.47 -1.21 -5.04 114.94 124.25 1xr4 s ASN 209 Ca 0.33 2.35 0.01 0.00 0.42 0.00 0.00 52.86 55.97 1xr4 s ASN 209 Cb -0.20 -2.60 0.01 0.00 -1.45 0.00 0.00 41.25 37.02 1xr4 s ASN 209 CO 0.20 -0.56 -0.03 -0.47 -3.72 0.00 0.00 177.10 172.52 1xr4 s TYR 210 N 0.47 0.45 0.64 0.43 5.04 -1.26 -3.92 117.35 119.19 1xr4 s TYR 210 Ca 0.59 -0.08 -0.18 0.00 -2.44 0.00 0.00 57.07 54.96 1xr4 s TYR 210 Cb -0.36 -0.41 -0.02 0.00 0.35 0.00 0.00 41.96 41.52 1xr4 s TYR 210 CO 0.35 -0.09 1.28 -2.14 -1.34 0.00 0.00 175.55 173.61 1xr4 s PRO 211 N 0.54 2.64 -1.09 4.97 0.02 -1.26 -5.07 135.00 135.75 1xr4 s PRO 211 Ca -0.06 2.02 -0.06 0.00 0.02 0.00 0.00 61.00 62.92 1xr4 s PRO 211 Cb -0.09 -1.86 0.29 0.00 0.02 0.00 0.00 34.50 32.86 1xr4 s PRO 211 CO -0.01 -1.52 1.31 0.00 -0.33 0.00 0.00 177.00 176.45 1xr4 n ALA 212 N -1.84 4.75 -0.24 -1.55 0.00 -1.25 -4.19 120.51 116.19 1xr4 n ALA 212 Ca 0.15 -4.75 0.01 0.00 0.00 0.00 0.00 53.44 48.86 1xr4 n ALA 212 Cb 0.48 -2.38 0.14 0.00 0.00 0.00 0.00 19.45 17.70 1xr4 n ALA 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xr4 h SER 213 N 5.95 0.45 -3.31 0.00 0.02 -1.38 -3.33 113.55 111.95 1xr4 h SER 213 Ca 0.19 0.06 -0.64 0.00 -0.84 0.00 0.00 61.79 60.56 1xr4 h SER 213 Cb 0.73 -0.01 -0.23 0.00 0.14 0.00 0.00 62.40 63.02 1xr4 h SER 213 CO 1.19 0.25 -0.70 -0.63 -1.14 0.00 0.00 176.83 175.80 1xr4 s ILE 214 N -6.06 3.62 0.22 3.27 1.01 -0.85 -4.86 121.20 117.56 1xr4 s ILE 214 Ca -0.13 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.13 1xr4 s ILE 214 Cb 0.18 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1xr4 s ILE 214 CO 0.76 0.50 0.22 0.00 0.00 0.00 0.00 174.94 176.43 1xr4 s ALA 215 N 0.36 3.68 0.39 9.38 0.00 -1.25 -0.37 121.76 133.95 1xr4 s ALA 215 Ca -0.06 -1.30 0.12 0.00 0.00 0.00 0.00 51.96 50.72 1xr4 s ALA 215 Cb -0.15 -1.44 0.92 0.00 0.00 0.00 0.00 23.12 22.45 1xr4 s ALA 215 CO 0.04 0.34 1.91 -0.56 0.00 0.00 0.00 175.76 177.49 1xr4 h GLN 216 N 1.71 0.54 -0.00 0.00 3.07 -1.77 -1.39 115.11 117.27 1xr4 h GLN 216 Ca -0.49 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.22 1xr4 h GLN 216 Cb 1.22 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1xr4 h GLN 216 CO 0.62 0.36 0.00 -0.40 0.09 0.00 0.00 178.83 179.50 1xr4 n ASP 217 N -4.50 0.07 -0.11 0.06 5.75 -1.26 -2.86 116.55 113.69 1xr4 n ASP 217 Ca 0.14 -1.15 0.07 0.00 -0.01 0.00 0.00 54.79 53.84 1xr4 n ASP 217 Cb 0.45 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.48 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 -0.88 2.04 -4.80 0.11 6.02 -0.53 -5.02 117.38 114.31 1xr4 n GLN 218 Ca 0.21 -0.25 -0.33 0.00 -0.01 0.00 0.00 57.00 56.62 1xr4 n GLN 218 Cb 0.11 -1.21 -0.14 0.00 1.02 0.00 0.00 30.24 30.02 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 -2.20 3.08 -0.28 5.09 1.01 -1.13 -4.53 120.40 121.43 1xr4 s VAL 219 Ca 0.08 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1xr4 s VAL 219 Cb 0.11 -2.27 -0.13 0.00 0.00 0.00 0.00 36.38 34.10 1xr4 s VAL 219 CO 0.53 0.54 -0.34 0.47 0.00 0.00 0.00 175.10 176.31 1xr4 n ASP 220 N 3.22 1.96 -4.09 3.32 8.00 -0.51 -4.97 116.55 123.48 1xr4 n ASP 220 Ca -0.18 0.27 -0.17 0.00 0.71 0.00 0.00 54.79 55.43 1xr4 n ASP 220 Cb 0.53 -0.76 -0.13 0.00 -0.02 0.00 0.00 41.12 40.74 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 -7.37 2.19 -0.02 0.64 1.43 -0.87 -4.52 118.68 110.16 1xr4 s LEU 221 Ca -0.38 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1xr4 s LEU 221 Cb 0.14 -0.38 0.02 0.00 0.03 0.00 0.00 46.19 46.01 1xr4 s LEU 221 CO 0.51 -0.06 0.02 -0.63 0.23 0.00 0.00 176.35 176.42 1xr4 s ILE 222 N -0.97 -0.00 -0.00 -0.59 1.01 -0.72 -0.50 121.20 119.42 1xr4 s ILE 222 Ca -0.03 0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.83 1xr4 s ILE 222 Cb -0.08 -0.10 -0.01 0.00 0.01 0.00 0.00 42.46 42.27 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 0.88 1.32 -0.09 2.92 0.11 -0.73 -0.20 120.40 124.61 1xr4 s VAL 223 Ca -0.08 -0.79 -0.20 0.00 -2.93 0.00 0.00 61.98 57.98 1xr4 s VAL 223 Cb -0.11 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.58 1xr4 s VAL 223 CO -0.02 0.32 0.57 -1.58 -3.33 0.00 0.00 175.10 171.06 1xr4 s GLN 224 N -0.55 4.37 0.41 1.54 0.74 -1.26 -0.66 119.66 124.26 1xr4 s GLN 224 Ca 0.06 0.64 0.06 0.00 0.05 0.00 0.00 55.36 56.17 1xr4 s GLN 224 Cb -0.07 -3.43 -0.07 0.00 1.10 0.00 0.00 33.01 30.54 1xr4 s GLN 224 CO -0.00 0.14 0.02 0.14 -0.55 0.00 0.00 175.29 175.04 1xr4 s VAL 225 N 0.62 1.72 -0.02 1.34 -7.23 0.72 -4.89 120.40 112.66 1xr4 s VAL 225 Ca 0.31 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.28 1xr4 s VAL 225 Cb -0.16 -2.83 -0.12 0.00 0.56 0.00 0.00 36.38 33.83 1xr4 s VAL 225 CO 0.14 0.00 0.86 -0.78 -0.31 0.00 0.00 175.10 175.01 1xr4 h ASP 226 N 1.75 -0.55 -4.02 4.85 3.58 -1.91 -3.38 116.42 116.76 1xr4 h ASP 226 Ca -0.43 -0.03 -0.20 0.00 0.42 0.00 0.00 57.03 56.79 1xr4 h ASP 226 Cb 1.25 0.14 -0.26 0.00 1.72 0.00 0.00 39.33 42.19 1xr4 h ASP 226 CO 0.78 -0.13 -0.63 -1.61 -2.88 0.00 0.00 179.24 174.77 1xr4 s GLU 227 N -3.91 0.15 -0.10 0.28 2.02 -1.26 -4.86 118.70 111.02 1xr4 s GLU 227 Ca -0.11 -0.03 0.18 0.00 0.02 0.00 0.00 54.97 55.03 1xr4 s GLU 227 Cb 0.01 0.06 -0.27 0.00 0.10 0.00 0.00 34.13 34.04 1xr4 s GLU 227 CO 0.35 -0.02 0.26 1.33 0.02 0.00 0.00 175.26 177.19 1xr4 n VAL 228 N 2.72 0.60 -1.52 2.63 0.24 -1.26 -4.77 118.33 116.97 1xr4 n VAL 228 Ca -0.15 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 1xr4 n VAL 228 Cb 0.59 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 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 1.61 5.41 3.19 7.63 0.00 -1.26 -1.25 105.19 120.52 1xr4 n GLY 229 Ca -0.16 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 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 1.05 5.60 0.18 1.61 -1.08 -1.14 -4.80 116.67 118.09 1xr4 s ASP 230 Ca 0.00 -1.95 -0.12 0.00 -0.52 0.00 0.00 52.55 49.95 1xr4 s ASP 230 Cb 0.00 -1.97 0.16 0.00 -1.46 0.00 0.00 42.92 39.66 1xr4 s ASP 230 CO 0.00 -0.66 1.77 -0.65 0.52 0.00 0.00 175.17 176.16 1xr4 h PRO 231 N 8.34 0.45 0.03 4.34 0.11 -1.94 0.44 132.00 143.77 1xr4 h PRO 231 Ca -0.19 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.68 1xr4 h PRO 231 Cb 1.07 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1xr4 h PRO 231 CO 0.82 0.30 -0.97 1.05 -0.21 0.00 0.00 178.00 178.99 1xr4 h GLU 232 N 0.46 0.16 -0.07 1.05 4.11 -1.95 -2.57 114.58 115.78 1xr4 h GLU 232 Ca 0.24 -0.21 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 1xr4 h GLU 232 Cb 0.19 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xr4 h GLU 232 CO -0.19 1.01 -0.06 0.87 0.07 0.00 0.00 179.01 180.70 1xr4 h LYS 233 N 0.08 0.16 -0.13 1.06 6.56 -1.91 -2.84 116.57 119.54 1xr4 h LYS 233 Ca -0.05 -0.08 -0.00 0.00 -1.06 0.00 0.00 60.65 59.45 1xr4 h LYS 233 Cb 1.64 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.30 1xr4 h LYS 233 CO 0.15 0.59 0.07 0.97 -2.06 0.00 0.00 179.45 179.17 1xr4 h ILE 234 N -0.27 1.05 -0.01 1.86 6.09 -0.95 -2.95 117.51 122.32 1xr4 h ILE 234 Ca 0.01 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1xr4 h ILE 234 Cb 0.56 0.88 0.00 0.00 0.47 0.00 0.00 36.82 38.73 1xr4 h ILE 234 CO 0.02 0.05 -0.53 0.35 -3.07 0.00 0.00 178.15 174.96 1xr4 n THR 235 N -4.50 0.00 -1.72 2.19 -2.24 -0.97 -3.72 114.28 103.33 1xr4 n THR 235 Ca -0.01 -0.19 -0.37 0.00 -2.27 0.00 0.00 64.05 61.21 1xr4 n THR 235 Cb 0.10 1.06 0.07 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.39 1.07 -1.59 6.98 0.00 -1.07 -4.32 120.51 121.19 1xr4 n ALA 236 Ca 0.09 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1xr4 n ALA 236 Cb 0.43 -2.30 0.15 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.34 1.61 0.30 0.00 0.00 -1.26 -1.23 107.32 105.40 1xr4 s GLY 237 Ca 0.82 -0.68 -0.28 0.00 0.00 0.00 0.00 44.72 44.58 1xr4 s GLY 237 CO 0.41 -0.06 1.09 0.00 0.00 0.00 0.00 173.10 174.53 1xr4 n ALA 238 N -3.82 0.18 -1.90 3.20 0.00 -1.26 -4.71 120.51 112.20 1xr4 n ALA 238 Ca 0.09 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.51 1xr4 n ALA 238 Cb 0.59 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 1xr4 n ALA 238 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xr4 s ILE 239 N -1.06 4.19 0.90 0.00 1.01 -1.26 -5.05 121.20 119.92 1xr4 s ILE 239 Ca 0.58 2.08 -0.10 0.00 0.00 0.00 0.00 60.65 63.21 1xr4 s ILE 239 Cb -0.67 -4.33 0.13 0.00 0.01 0.00 0.00 42.46 37.61 1xr4 s ILE 239 CO 0.61 0.45 1.13 -0.60 0.00 0.00 0.00 174.94 176.52 1xr4 s ARG 240 N -0.84 1.18 0.60 2.79 6.06 -1.26 -4.96 118.95 122.50 1xr4 s ARG 240 Ca 0.43 1.43 -0.18 0.00 -2.50 0.00 0.00 55.73 54.91 1xr4 s ARG 240 Cb -0.25 -1.75 -0.05 0.00 0.06 0.00 0.00 34.95 32.95 1xr4 s ARG 240 CO 0.31 -2.48 0.87 1.28 -2.50 0.00 0.00 175.30 172.78 1xr4 n LEU 241 N -4.12 3.09 -4.73 -0.88 4.77 -1.26 -4.93 117.00 108.93 1xr4 n LEU 241 Ca 0.11 0.79 -0.35 0.00 -0.03 0.00 0.00 56.01 56.53 1xr4 n LEU 241 Cb 0.52 -1.34 0.07 0.00 -2.33 0.00 0.00 43.42 40.35 1xr4 n LEU 241 CO 0.50 -2.12 0.82 -0.94 -1.33 0.00 0.00 177.39 174.32 1xr4 s SER 242 N -1.24 4.51 -0.13 -1.43 1.04 -1.26 -4.94 113.70 110.24 1xr4 s SER 242 Ca 0.75 2.37 0.15 0.00 0.48 0.00 0.00 55.95 59.69 1xr4 s SER 242 Cb -0.42 -2.59 0.51 0.00 0.10 0.00 0.00 66.02 63.62 1xr4 s SER 242 CO 0.48 -2.05 1.43 -1.54 0.98 0.00 0.00 173.24 172.54 1xr4 n SER 243 N -2.37 3.87 -4.60 7.02 3.41 -1.26 -4.89 113.62 114.79 1xr4 n SER 243 Ca 0.14 -2.70 -0.43 0.00 -0.26 0.00 0.00 58.87 55.61 1xr4 n SER 243 Cb 0.50 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.52 6.24 0.38 4.04 3.84 -1.26 -4.89 114.94 121.77 1xr4 s ASN 244 Ca 0.39 0.94 0.28 0.00 0.21 0.00 0.00 52.86 54.68 1xr4 s ASN 244 Cb 0.29 -2.54 1.11 0.00 -0.55 0.00 0.00 41.25 39.56 1xr4 s ASN 244 CO 0.13 -1.49 1.82 1.55 -2.79 0.00 0.00 177.10 176.32 1xr4 h PRO 245 N 11.18 0.00 -0.11 0.43 0.13 -1.99 -0.69 132.00 140.95 1xr4 h PRO 245 Ca -0.29 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.66 1xr4 h PRO 245 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xr4 h PRO 245 CO 1.07 0.00 -0.67 -0.09 -0.23 0.00 0.00 178.00 178.08 1xr4 h ARG 246 N 0.00 0.47 -0.02 0.86 2.43 -1.99 -1.50 114.38 114.63 1xr4 h ARG 246 Ca 0.00 -0.35 -0.21 0.00 -0.81 0.00 0.00 59.98 58.61 1xr4 h ARG 246 Cb 0.47 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1xr4 h ARG 246 CO 0.00 0.98 -0.87 0.93 -1.51 0.00 0.00 179.97 179.50 1xr4 h GLU 247 N 0.34 0.33 -0.17 0.20 5.08 -1.56 -2.32 114.58 116.48 1xr4 h GLU 247 Ca -0.02 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 57.89 1xr4 h GLU 247 Cb 1.24 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1xr4 h GLU 247 CO 0.12 1.02 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.69 1xr4 h LEU 248 N 0.20 0.39 -0.12 1.33 3.38 -1.39 -0.97 115.31 118.12 1xr4 h LEU 248 Ca -0.06 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1xr4 h LEU 248 Cb 1.49 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1xr4 h LEU 248 CO 0.14 0.74 0.08 0.25 0.09 0.00 0.00 178.44 179.75 1xr4 h LEU 249 N 0.31 0.14 -1.03 1.67 5.85 -1.28 -0.97 115.31 120.00 1xr4 h LEU 249 Ca 0.03 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1xr4 h LEU 249 Cb 0.82 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1xr4 h LEU 249 CO 0.07 0.10 0.51 0.40 -0.34 0.00 0.00 178.44 179.18 1xr4 h ILE 250 N 0.16 1.24 -0.01 4.05 2.04 -1.20 -2.20 117.51 121.60 1xr4 h ILE 250 Ca 0.04 -0.55 -0.21 0.00 1.00 0.00 0.00 64.86 65.15 1xr4 h ILE 250 Cb -0.02 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1xr4 h ILE 250 CO -0.01 0.26 -0.90 0.00 0.00 0.00 0.00 178.15 177.50 1xr4 h ALA 251 N 1.36 0.44 0.13 1.87 0.00 -1.09 -1.54 119.26 120.44 1xr4 h ALA 251 Ca 0.31 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1xr4 h ALA 251 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xr4 h ALA 251 CO -0.06 0.84 -0.06 -0.09 0.00 0.00 0.00 179.25 179.89 1xr4 h ARG 252 N 0.19 -0.16 -0.70 0.00 2.43 -1.08 -1.35 114.38 113.69 1xr4 h ARG 252 Ca -0.06 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.27 1xr4 h ARG 252 Cb 1.52 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 31.00 1xr4 h ARG 252 CO 0.15 0.12 0.09 1.96 -1.51 0.00 0.00 179.97 180.78 1xr4 h GLN 253 N -0.45 0.18 -0.20 0.20 1.08 -1.42 -2.25 115.11 112.25 1xr4 h GLN 253 Ca -0.02 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.07 1xr4 h GLN 253 Cb 0.36 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1xr4 h GLN 253 CO 0.03 0.12 -0.33 0.00 -0.95 0.00 0.00 178.83 177.70 1xr4 h ALA 254 N 1.61 1.07 -0.38 3.87 0.00 -1.14 -2.29 119.26 122.00 1xr4 h ALA 254 Ca 0.39 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1xr4 h ALA 254 Cb 0.66 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1xr4 h ALA 254 CO -0.55 0.58 0.02 0.00 0.00 0.00 0.00 179.25 179.30 1xr4 h ALA 255 N 1.31 1.32 -0.60 0.00 0.00 -0.82 -2.44 119.26 118.03 1xr4 h ALA 255 Ca 0.04 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1xr4 h ALA 255 Cb 0.75 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1xr4 h ALA 255 CO 0.06 0.47 0.03 -0.91 0.00 0.00 0.00 179.25 178.90 1xr4 h ASN 256 N 0.57 1.00 -0.47 0.00 -0.26 -1.07 -0.69 115.58 114.67 1xr4 h ASN 256 Ca 0.12 -0.27 -0.00 0.00 -0.56 0.00 0.00 56.30 55.60 1xr4 h ASN 256 Cb 0.33 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 1xr4 h ASN 256 CO 0.01 1.04 0.29 0.58 -1.06 0.00 0.00 177.43 178.28 1xr4 h VAL 257 N 0.95 1.14 -0.02 2.81 2.07 -1.22 -2.00 116.25 119.99 1xr4 h VAL 257 Ca 0.18 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1xr4 h VAL 257 Cb 0.51 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1xr4 h VAL 257 CO 0.02 0.14 0.01 0.40 0.02 0.00 0.00 177.57 178.16 1xr4 h ILE 258 N 0.63 1.15 -0.88 4.57 2.04 -1.33 0.40 117.51 124.09 1xr4 h ILE 258 Ca 0.17 -0.44 0.13 0.00 1.00 0.00 0.00 64.86 65.73 1xr4 h ILE 258 Cb -0.02 1.41 -0.09 0.00 -0.74 0.00 0.00 36.82 37.39 1xr4 h ILE 258 CO -0.03 0.12 0.49 -0.08 0.00 0.00 0.00 178.15 178.64 1xr4 h GLU 259 N -0.15 0.70 -0.64 2.37 4.81 -0.93 -1.99 114.58 118.75 1xr4 h GLU 259 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1xr4 h GLU 259 Cb 0.18 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xr4 h GLU 259 CO -0.00 0.46 0.00 0.72 -0.73 0.00 0.00 179.01 179.46 1xr4 n HIS 260 N -4.80 0.85 0.07 0.92 8.25 -0.77 -4.51 115.22 115.24 1xr4 n HIS 260 Ca 0.17 -0.50 -0.05 0.00 -0.26 0.00 0.00 57.72 57.08 1xr4 n HIS 260 Cb 0.40 -0.01 0.12 0.00 1.12 0.00 0.00 29.99 31.62 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 3.74 0.32 0.00 0.41 4.64 -0.11 -3.37 113.55 119.18 1xr4 h SER 261 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1xr4 h SER 261 Cb 0.93 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1xr4 h SER 261 CO 0.00 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1xr4 n GLY 262 N 0.22 0.70 0.12 -0.77 0.00 -1.26 -4.84 105.19 99.37 1xr4 n GLY 262 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.07 0.00 -2.44 1.61 4.01 -1.26 -4.80 117.16 113.20 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 -0.83 4.08 -4.39 -0.72 7.35 -1.25 -4.76 117.46 116.94 1xr4 n PHE 264 Ca 0.04 -3.00 -0.20 0.00 -0.76 0.00 0.00 57.45 53.52 1xr4 n PHE 264 Cb 0.23 -2.32 -0.10 0.00 0.35 0.00 0.00 39.48 37.63 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 -0.49 2.84 0.00 0.00 2.03 -1.26 -1.91 116.55 117.76 1xr4 n ASP 266 Ca -0.06 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.32 1xr4 n ASP 266 Cb 0.62 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 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 3.39 0.81 3.75 0.27 0.00 0.83 -4.97 105.19 109.28 1xr4 n GLY 267 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.12 2.40 0.07 1.61 -0.12 -0.80 -3.39 117.98 115.62 1xr4 s PHE 268 Ca 0.00 1.58 0.09 0.00 -0.05 0.00 0.00 56.93 58.55 1xr4 s PHE 268 Cb 0.00 -3.27 -0.03 0.00 -0.63 0.00 0.00 43.02 39.09 1xr4 s PHE 268 CO 0.00 -2.02 -0.26 -1.54 -0.05 0.00 0.00 175.22 171.35 1xr4 s SER 269 N -2.43 3.27 0.05 1.98 1.04 -1.26 -0.52 113.70 115.84 1xr4 s SER 269 Ca 0.69 -0.61 -0.07 0.00 0.48 0.00 0.00 55.95 56.43 1xr4 s SER 269 Cb -0.23 -0.31 -0.01 0.00 0.10 0.00 0.00 66.02 65.58 1xr4 s SER 269 CO 0.44 0.24 0.15 -1.48 0.98 0.00 0.00 173.24 173.56 1xr4 s LEU 270 N -1.46 1.59 -0.13 2.42 2.34 -0.95 -2.06 118.68 120.42 1xr4 s LEU 270 Ca 0.13 -0.54 0.01 0.00 0.06 0.00 0.00 54.13 53.79 1xr4 s LEU 270 Cb -0.10 0.82 0.02 0.00 -0.56 0.00 0.00 46.19 46.37 1xr4 s LEU 270 CO 0.03 -0.59 -0.14 -1.58 -1.06 0.00 0.00 176.35 173.02 1xr4 s GLN 271 N -3.01 2.17 0.35 1.48 0.74 -0.02 -1.18 119.66 120.20 1xr4 s GLN 271 Ca -0.02 -0.52 0.07 0.00 0.05 0.00 0.00 55.36 54.95 1xr4 s GLN 271 Cb 0.01 -1.98 -0.02 0.00 1.10 0.00 0.00 33.01 32.12 1xr4 s GLN 271 CO -0.06 -0.20 0.34 0.95 -0.55 0.00 0.00 175.29 175.77 1xr4 s THR 272 N 1.39 3.45 0.22 -0.34 -4.23 -1.26 -4.18 115.64 110.69 1xr4 s THR 272 Ca 0.02 -1.30 -0.02 0.00 -1.18 0.00 0.00 61.69 59.21 1xr4 s THR 272 Cb -0.13 -3.18 0.05 0.00 1.34 0.00 0.00 72.50 70.57 1xr4 s THR 272 CO -0.08 -0.14 0.30 0.61 -0.54 0.00 0.00 174.62 174.77 1xr4 n GLY 273 N -1.45 -0.01 0.13 3.99 0.00 -0.48 -4.93 105.19 102.44 1xr4 n GLY 273 Ca -0.00 -1.86 0.07 0.00 0.00 0.00 0.00 46.02 44.22 1xr4 n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xr4 n THR 274 N -2.04 0.00 -3.46 2.61 -2.24 -1.26 -4.00 114.28 103.89 1xr4 n THR 274 Ca 0.04 -0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.56 1xr4 n THR 274 Cb 0.16 1.07 -0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 1.23 2.53 7.00 3.38 0.00 -1.26 -4.91 105.19 113.16 1xr4 n GLY 275 Ca 0.04 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.10 0.84 0.25 -0.02 0.00 -1.26 -0.72 105.19 104.19 1xr4 n GLY 276 Ca -0.01 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.33 1.90 0.00 4.61 0.00 -1.93 -2.12 119.26 121.40 1xr4 h ALA 277 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1xr4 h ALA 277 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xr4 h ALA 277 CO 0.00 0.08 -0.32 0.66 0.00 0.00 0.00 179.25 179.66 1xr4 h SER 278 N 0.02 0.00 0.01 0.00 4.64 -1.88 -1.13 113.55 115.21 1xr4 h SER 278 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xr4 h SER 278 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1xr4 h SER 278 CO 0.01 0.32 -0.01 0.25 -0.87 0.00 0.00 176.83 176.54 1xr4 h LEU 279 N 0.00 -0.01 -2.55 5.97 5.85 -0.63 -1.28 115.31 122.66 1xr4 h LEU 279 Ca -0.00 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1xr4 h LEU 279 Cb 0.98 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1xr4 h LEU 279 CO 0.04 0.72 0.14 0.00 -0.34 0.00 0.00 178.44 179.00 1xr4 h ALA 280 N -0.49 1.13 -0.75 1.25 0.00 -1.16 -2.40 119.26 116.84 1xr4 h ALA 280 Ca -0.00 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1xr4 h ALA 280 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1xr4 h ALA 280 CO 0.00 -0.13 0.51 -0.24 0.00 0.00 0.00 179.25 179.39 1xr4 h VAL 281 N 0.00 0.72 -0.78 0.00 3.04 -1.40 -2.19 116.25 115.63 1xr4 h VAL 281 Ca 0.00 -0.09 0.11 0.00 -1.01 0.00 0.00 66.70 65.71 1xr4 h VAL 281 Cb 0.27 0.45 -0.05 0.00 -2.01 0.00 0.00 31.29 29.94 1xr4 h VAL 281 CO 0.00 0.05 0.51 0.71 -1.01 0.00 0.00 177.57 177.83 1xr4 h THR 282 N 0.25 0.91 -0.48 3.17 1.35 -1.72 -1.30 112.91 115.09 1xr4 h THR 282 Ca 0.37 -0.23 0.05 0.00 -0.55 0.00 0.00 66.41 66.05 1xr4 h THR 282 Cb 1.08 0.20 -0.05 0.00 -1.73 0.00 0.00 68.15 67.65 1xr4 h THR 282 CO -0.09 0.12 0.22 -0.09 -0.25 0.00 0.00 175.52 175.43 1xr4 h ARG 283 N 0.66 0.41 0.19 4.72 2.43 -1.64 -1.08 114.38 120.07 1xr4 h ARG 283 Ca 0.37 -0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 59.21 1xr4 h ARG 283 Cb 0.54 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1xr4 h ARG 283 CO -0.14 0.27 -1.35 0.74 -1.51 0.00 0.00 179.97 177.98 1xr4 h PHE 284 N 0.43 0.79 -0.48 2.20 -1.00 -1.53 -3.15 116.94 114.19 1xr4 h PHE 284 Ca 0.22 -0.56 0.03 0.00 2.81 0.00 0.00 57.97 60.46 1xr4 h PHE 284 Cb 0.17 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.66 1xr4 h PHE 284 CO -0.12 1.43 0.27 -0.07 -1.61 0.00 0.00 178.31 178.21 1xr4 h LEU 285 N 0.13 0.43 -0.70 1.54 3.38 -1.25 -2.15 115.31 116.70 1xr4 h LEU 285 Ca -0.20 0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.89 1xr4 h LEU 285 Cb 2.05 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.64 1xr4 h LEU 285 CO 0.24 0.31 0.31 -0.08 0.09 0.00 0.00 178.44 179.31 1xr4 h GLU 286 N 0.55 0.49 -0.10 1.13 4.81 -1.21 -2.16 114.58 118.09 1xr4 h GLU 286 Ca 0.20 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1xr4 h GLU 286 Cb 0.04 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1xr4 h GLU 286 CO -0.10 0.33 0.06 0.22 -0.73 0.00 0.00 179.01 178.78 1xr4 h ASP 287 N 0.51 0.12 0.00 1.04 3.58 -1.46 -1.88 116.42 118.33 1xr4 h ASP 287 Ca 0.36 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1xr4 h ASP 287 Cb 0.45 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1xr4 h ASP 287 CO -0.32 0.16 0.00 0.29 -2.88 0.00 0.00 179.24 176.49 1xr4 n LYS 288 N -4.98 0.20 0.00 0.28 5.02 -0.81 -0.75 118.16 117.12 1xr4 n LYS 288 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1xr4 n LYS 288 Cb 0.06 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.99 0.00 0.30 1.97 1.74 -0.71 -1.42 116.66 119.53 1xr4 n ARG 290 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1xr4 n ARG 290 Cb 0.10 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.48 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 -0.77 -7.27 5.56 2.43 -1.20 -3.41 114.38 109.72 1xr4 h ARG 291 Ca 0.00 0.05 -0.45 0.00 -0.81 0.00 0.00 59.98 58.78 1xr4 h ARG 291 Cb 0.00 0.17 0.18 0.00 -0.42 0.00 0.00 29.97 29.91 1xr4 h ARG 291 CO 0.00 -0.51 0.11 -1.01 -1.51 0.00 0.00 179.97 177.05 1xr4 s HIS 292 N -4.25 1.78 -0.80 2.20 3.76 -0.51 -4.96 115.29 112.50 1xr4 s HIS 292 Ca -0.12 1.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.87 1xr4 s HIS 292 Cb 0.01 -3.19 0.34 0.00 1.11 0.00 0.00 32.58 30.85 1xr4 s HIS 292 CO 0.35 -3.34 1.53 -1.71 -0.85 0.00 0.00 174.74 170.72 1xr4 n ASN 293 N -4.51 6.26 -4.42 1.40 2.85 -1.26 -5.02 115.26 110.55 1xr4 n ASN 293 Ca 0.04 -3.72 -0.27 0.00 -0.11 0.00 0.00 54.58 50.52 1xr4 n ASN 293 Cb 0.56 -0.89 -0.12 0.00 1.24 0.00 0.00 39.78 40.57 1xr4 n ASN 293 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1xr4 s ILE 294 N -4.66 2.37 0.22 -1.44 -4.36 -1.26 -5.00 121.20 107.07 1xr4 s ILE 294 Ca 0.45 -1.97 0.07 0.00 -0.26 0.00 0.00 60.65 58.94 1xr4 s ILE 294 Cb 0.29 -2.12 -0.05 0.00 1.25 0.00 0.00 42.46 41.82 1xr4 s ILE 294 CO -0.19 -0.08 -0.11 0.42 0.24 0.00 0.00 174.94 175.22 1xr4 s THR 295 N -1.56 1.61 -0.07 8.37 -4.23 -1.26 -4.62 115.64 113.87 1xr4 s THR 295 Ca 0.20 -2.16 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 1xr4 s THR 295 Cb -0.08 -2.15 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 1xr4 s THR 295 CO 0.09 -0.51 0.34 0.00 -0.54 0.00 0.00 174.62 174.00 1xr4 s ALA 296 N -3.05 3.68 0.06 3.99 0.00 0.19 -0.12 121.76 126.51 1xr4 s ALA 296 Ca 0.24 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.65 1xr4 s ALA 296 Cb 0.01 -2.35 -0.12 0.00 0.00 0.00 0.00 23.12 20.66 1xr4 s ALA 296 CO 0.08 0.36 1.51 0.66 0.00 0.00 0.00 175.76 178.36 1xr4 h SER 297 N 5.45 0.23 -5.08 0.00 4.64 -0.81 0.11 113.55 118.09 1xr4 h SER 297 Ca -0.48 -0.28 -0.08 0.00 -0.47 0.00 0.00 61.79 60.47 1xr4 h SER 297 Cb 1.20 -0.06 -0.15 0.00 -0.31 0.00 0.00 62.40 63.08 1xr4 h SER 297 CO 0.66 0.45 -0.22 0.72 -0.87 0.00 0.00 176.83 177.57 1xr4 s PHE 298 N -5.08 -0.09 -0.10 4.77 -0.71 -1.25 -2.82 117.98 112.69 1xr4 s PHE 298 Ca -0.14 -0.14 0.01 0.00 -1.04 0.00 0.00 56.93 55.63 1xr4 s PHE 298 Cb 0.06 0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 1xr4 s PHE 298 CO 0.71 -0.56 -0.14 0.20 -1.34 0.00 0.00 175.22 174.09 1xr4 s GLY 299 N -2.38 1.53 0.02 1.99 0.00 -0.44 -2.24 107.32 105.81 1xr4 s GLY 299 Ca -0.01 -0.93 0.07 0.00 0.00 0.00 0.00 44.72 43.85 1xr4 s GLY 299 CO -0.07 -0.43 -0.21 -2.27 0.00 0.00 0.00 173.10 170.13 1xr4 s LEU 300 N -0.08 2.43 0.00 0.66 2.96 -0.32 -0.45 118.68 123.88 1xr4 s LEU 300 Ca -0.02 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 1xr4 s LEU 300 Cb -0.14 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.11 1xr4 s LEU 300 CO 0.04 0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.95 1xr4 n GLY 301 N 1.81 -0.10 3.58 7.98 0.00 -0.65 -4.38 105.19 113.43 1xr4 n GLY 301 Ca -0.16 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 1.44 0.33 -0.02 0.00 -1.24 -0.79 107.32 107.04 1xr4 s GLY 302 Ca 0.00 -0.65 -0.28 0.00 0.00 0.00 0.00 44.72 43.79 1xr4 s GLY 302 CO 0.00 2.14 1.13 -0.42 0.00 0.00 0.00 173.10 175.95 1xr4 s ILE 303 N 3.89 3.35 0.32 0.90 -1.09 -0.88 -4.74 121.20 122.95 1xr4 s ILE 303 Ca 0.40 1.25 0.09 0.00 -2.23 0.00 0.00 60.65 60.16 1xr4 s ILE 303 Cb -0.10 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1xr4 s ILE 303 CO 0.26 0.22 0.09 0.42 -1.23 0.00 0.00 174.94 174.70 1xr4 s THR 304 N -1.29 3.13 0.35 2.92 -4.23 -1.26 -0.67 115.64 114.59 1xr4 s THR 304 Ca 0.50 -1.78 0.05 0.00 -1.18 0.00 0.00 61.69 59.28 1xr4 s THR 304 Cb -0.31 -2.93 0.29 0.00 1.34 0.00 0.00 72.50 70.88 1xr4 s THR 304 CO 0.40 -0.24 1.96 1.23 -0.54 0.00 0.00 174.62 177.43 1xr4 h GLY 305 N 1.67 1.00 -1.39 3.99 0.00 -1.92 -1.81 103.07 104.62 1xr4 h GLY 305 Ca -0.44 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1xr4 h GLY 305 CO 0.63 0.25 0.00 -1.30 0.00 0.00 0.00 176.54 176.12 1xr4 n THR 306 N -4.47 0.05 0.00 4.70 -2.24 -1.26 -0.32 114.28 110.74 1xr4 n THR 306 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1xr4 n THR 306 Cb 0.20 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1xr4 n THR 306 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1xr4 n VAL 308 N 0.63 0.00 -0.21 2.28 0.31 -0.68 -2.66 118.33 118.00 1xr4 n VAL 308 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1xr4 n VAL 308 Cb 0.05 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.08 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 -0.23 0.32 4.52 3.58 -0.95 -0.34 116.42 123.32 1xr4 h ASP 309 Ca 0.00 0.15 -0.08 0.00 0.42 0.00 0.00 57.03 57.52 1xr4 h ASP 309 Cb 0.00 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1xr4 h ASP 309 CO 0.00 -0.10 -0.35 -0.07 -2.88 0.00 0.00 179.24 175.84 1xr4 h LEU 310 N 0.14 0.05 -0.71 2.28 3.38 -1.78 -2.34 115.31 116.33 1xr4 h LEU 310 Ca 0.33 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 1xr4 h LEU 310 Cb 0.53 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1xr4 h LEU 310 CO -0.51 0.40 0.20 -0.74 0.09 0.00 0.00 178.44 177.88 1xr4 h HIS 311 N 0.04 1.16 0.00 1.13 2.76 -1.44 -0.33 115.15 118.48 1xr4 h HIS 311 Ca 0.00 -0.12 -0.07 0.00 -2.20 0.00 0.00 60.37 57.98 1xr4 h HIS 311 Cb 0.64 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 1xr4 h HIS 311 CO 0.00 0.93 -0.35 0.93 -1.30 0.00 0.00 177.93 178.15 1xr4 h GLU 312 N 1.05 0.00 -0.28 5.26 5.08 -0.58 -2.29 114.58 122.83 1xr4 h GLU 312 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1xr4 h GLU 312 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1xr4 h GLU 312 CO -0.00 0.35 0.00 1.63 -1.00 0.00 0.00 179.01 179.98 1xr4 n LYS 313 N -3.64 1.82 -0.91 2.33 5.02 -1.03 -4.94 118.16 116.82 1xr4 n LYS 313 Ca -0.01 -1.26 0.00 0.00 -2.02 0.00 0.00 58.31 55.02 1xr4 n LYS 313 Cb 0.46 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 1.13 0.84 0.14 0.72 0.00 -0.86 -4.93 105.19 102.24 1xr4 n GLY 314 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 -7.88 0.99 3.38 -1.26 -3.42 115.31 107.11 1xr4 h LEU 315 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1xr4 h LEU 315 Cb 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.39 1xr4 h LEU 315 CO 0.00 0.50 -0.83 -0.63 0.09 0.00 0.00 178.44 177.58 1xr4 s ILE 316 N -3.03 1.46 -0.02 1.22 1.01 -1.14 0.54 121.20 121.25 1xr4 s ILE 316 Ca 0.03 -0.57 0.20 0.00 0.00 0.00 0.00 60.65 60.31 1xr4 s ILE 316 Cb 0.08 -1.38 0.17 0.00 0.01 0.00 0.00 42.46 41.34 1xr4 s ILE 316 CO 0.74 0.44 1.66 0.11 0.00 0.00 0.00 174.94 177.89 1xr4 h LYS 317 N 7.94 0.00 -2.69 2.79 1.57 -0.77 -3.39 116.57 122.03 1xr4 h LYS 317 Ca -0.35 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.33 1xr4 h LYS 317 Cb 1.14 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.26 1xr4 h LYS 317 CO 0.50 0.32 -0.11 0.00 -0.57 0.00 0.00 179.45 179.60 1xr4 s ALA 318 N -3.35 -1.13 -0.03 3.86 0.00 -1.13 -4.91 121.76 115.07 1xr4 s ALA 318 Ca 0.02 0.66 0.07 0.00 0.00 0.00 0.00 51.96 52.71 1xr4 s ALA 318 Cb 0.09 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1xr4 s ALA 318 CO 0.68 -0.31 -0.24 -0.51 0.00 0.00 0.00 175.76 175.38 1xr4 s LEU 319 N -1.33 2.04 -0.16 0.00 1.43 0.81 -1.32 118.68 120.14 1xr4 s LEU 319 Ca -0.12 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1xr4 s LEU 319 Cb -0.03 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.95 1xr4 s LEU 319 CO 0.06 0.28 -0.20 -0.76 0.23 0.00 0.00 176.35 175.96 1xr4 s LEU 320 N -0.48 2.18 -0.28 1.79 1.43 0.41 -0.13 118.68 123.60 1xr4 s LEU 320 Ca 0.07 -0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1xr4 s LEU 320 Cb -0.10 -1.48 0.08 0.00 0.03 0.00 0.00 46.19 44.72 1xr4 s LEU 320 CO -0.00 0.04 0.04 -0.62 0.23 0.00 0.00 176.35 176.03 1xr4 s ASP 321 N 1.09 3.91 0.02 2.29 -1.08 0.15 -1.63 116.67 121.42 1xr4 s ASP 321 Ca -0.00 -1.46 0.24 0.00 -0.52 0.00 0.00 52.55 50.81 1xr4 s ASP 321 Cb -0.14 -1.01 0.31 0.00 -1.46 0.00 0.00 42.92 40.62 1xr4 s ASP 321 CO -0.08 -0.34 1.27 1.07 0.52 0.00 0.00 175.17 177.61 1xr4 n THR 322 N 4.75 0.07 -3.47 1.71 5.66 0.03 -1.67 114.28 121.35 1xr4 n THR 322 Ca -0.05 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1xr4 n THR 322 Cb 0.43 0.29 -0.05 0.00 -1.55 0.00 0.00 70.33 69.45 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 -3.06 0.32 -0.13 1.09 0.74 -1.25 -3.23 119.66 114.15 1xr4 s GLN 323 Ca 0.09 0.74 -0.22 0.00 0.05 0.00 0.00 55.36 56.02 1xr4 s GLN 323 Cb 0.16 0.37 -0.03 0.00 1.10 0.00 0.00 33.01 34.61 1xr4 s GLN 323 CO 0.74 -0.10 0.66 -1.12 -0.55 0.00 0.00 175.29 174.92 1xr4 s SER 324 N 2.20 6.83 0.00 6.67 0.01 -1.26 -2.08 113.70 126.08 1xr4 s SER 324 Ca -0.04 1.01 0.25 0.00 1.31 0.00 0.00 55.95 58.48 1xr4 s SER 324 Cb -0.06 -2.38 0.56 0.00 0.21 0.00 0.00 66.02 64.36 1xr4 s SER 324 CO -0.17 -0.19 1.45 0.49 0.41 0.00 0.00 173.24 175.22 1xr4 n PHE 325 N 4.42 0.00 -4.03 2.43 3.72 0.16 -4.85 117.46 119.31 1xr4 n PHE 325 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.25 1xr4 n PHE 325 Cb 0.50 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 1xr4 n PHE 325 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1xr4 s ASP 326 N -2.71 0.73 0.32 4.37 1.47 -1.26 -5.01 116.67 114.58 1xr4 s ASP 326 Ca 0.18 -1.41 0.17 0.00 1.18 0.00 0.00 52.55 52.67 1xr4 s ASP 326 Cb 0.18 0.70 0.19 0.00 -0.34 0.00 0.00 42.92 43.66 1xr4 s ASP 326 CO 0.61 -1.37 1.51 1.23 0.68 0.00 0.00 175.17 177.83 1xr4 h GLY 327 N 2.09 0.00 0.79 2.12 0.00 -1.25 -2.08 103.07 104.74 1xr4 h GLY 327 Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1xr4 h GLY 327 CO 0.39 0.00 0.01 -0.55 0.00 0.00 0.00 176.54 176.39 1xr4 h ASP 328 N 0.00 0.23 -0.01 0.19 3.32 -1.82 -1.16 116.42 117.16 1xr4 h ASP 328 Ca -0.00 -0.29 0.02 0.00 0.02 0.00 0.00 57.03 56.78 1xr4 h ASP 328 Cb 1.26 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1xr4 h ASP 328 CO 0.05 0.46 -0.14 0.00 -1.72 0.00 0.00 179.24 177.90 1xr4 h ALA 329 N 0.78 -0.15 -0.81 3.45 0.00 -1.83 -1.09 119.26 119.61 1xr4 h ALA 329 Ca 0.04 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.09 1xr4 h ALA 329 Cb 0.34 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1xr4 h ALA 329 CO 0.01 -0.63 0.42 0.00 0.00 0.00 0.00 179.25 179.04 1xr4 h ALA 330 N 0.73 1.18 -0.17 0.00 0.00 -1.37 -0.17 119.26 119.46 1xr4 h ALA 330 Ca 0.05 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 1xr4 h ALA 330 Cb 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xr4 h ALA 330 CO -0.14 -0.05 -0.76 0.00 0.00 0.00 0.00 179.25 178.30 1xr4 h ARG 331 N 0.64 0.79 -0.14 0.00 3.08 -1.05 -2.88 114.38 114.82 1xr4 h ARG 331 Ca 0.42 -0.63 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1xr4 h ARG 331 Cb 0.54 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1xr4 h ARG 331 CO -0.33 1.24 -0.03 1.03 -1.07 0.00 0.00 179.97 180.82 1xr4 h SER 332 N 0.55 0.18 -0.58 7.04 0.87 -0.88 -0.64 113.55 120.08 1xr4 h SER 332 Ca -0.05 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.40 1xr4 h SER 332 Cb 1.38 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 1xr4 h SER 332 CO 0.16 0.25 0.02 0.25 -0.53 0.00 0.00 176.83 176.98 1xr4 h LEU 333 N 0.20 1.00 -0.18 2.23 5.85 -0.89 0.43 115.31 123.95 1xr4 h LEU 333 Ca 0.05 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1xr4 h LEU 333 Cb 0.19 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1xr4 h LEU 333 CO 0.01 1.04 -0.14 0.00 -0.34 0.00 0.00 178.44 179.01 1xr4 h ALA 334 N 1.06 0.27 0.16 1.25 0.00 -1.29 -3.38 119.26 117.32 1xr4 h ALA 334 Ca 0.18 -0.32 -0.36 0.00 0.00 0.00 0.00 54.91 54.41 1xr4 h ALA 334 Cb 0.52 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xr4 h ALA 334 CO 0.03 0.14 -1.87 1.96 0.00 0.00 0.00 179.25 179.51 1xr4 h GLN 335 N 0.09 0.34 -5.53 0.00 1.08 -1.10 -3.47 115.11 106.51 1xr4 h GLN 335 Ca 0.03 -0.57 -0.60 0.00 -1.45 0.00 0.00 58.65 56.06 1xr4 h GLN 335 Cb 0.66 0.21 -0.11 0.00 -0.05 0.00 0.00 27.48 28.19 1xr4 h GLN 335 CO 0.04 1.28 -0.00 -0.80 -0.95 0.00 0.00 178.83 178.39 1xr4 s ASN 336 N -7.18 6.57 0.43 1.46 0.02 0.14 -4.97 114.94 111.39 1xr4 s ASN 336 Ca -0.19 0.68 0.20 0.00 -1.02 0.00 0.00 52.86 52.53 1xr4 s ASN 336 Cb 0.06 -2.30 0.95 0.00 0.02 0.00 0.00 41.25 39.98 1xr4 s ASN 336 CO 0.81 -0.21 1.87 1.55 0.02 0.00 0.00 177.10 181.14 1xr4 h PRO 337 N 7.54 0.00 -0.58 -0.60 0.13 -1.89 -2.42 132.00 134.19 1xr4 h PRO 337 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1xr4 h PRO 337 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xr4 h PRO 337 CO 0.74 0.28 0.00 0.72 -0.23 0.00 0.00 178.00 179.51 1xr4 n HIS 338 N -3.73 0.83 -3.11 1.56 8.25 -1.26 -4.53 115.22 113.22 1xr4 n HIS 338 Ca -0.01 -0.39 -0.44 0.00 -0.26 0.00 0.00 57.72 56.61 1xr4 n HIS 338 Cb 0.39 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.33 2.99 -0.11 4.41 5.04 -0.91 -0.14 115.29 125.25 1xr4 s HIS 339 Ca 0.38 -0.70 -0.02 0.00 -1.54 0.00 0.00 55.06 53.18 1xr4 s HIS 339 Cb 0.21 -3.80 -0.03 0.00 0.04 0.00 0.00 32.58 28.99 1xr4 s HIS 339 CO 0.25 -1.19 -0.04 0.42 -2.34 0.00 0.00 174.74 171.84 1xr4 s ILE 340 N 2.78 3.96 -0.03 0.89 1.01 0.82 -4.69 121.20 125.93 1xr4 s ILE 340 Ca 0.14 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.19 1xr4 s ILE 340 Cb -0.21 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1xr4 s ILE 340 CO 0.10 0.55 0.74 -0.70 0.00 0.00 0.00 174.94 175.63 1xr4 s GLU 341 N -0.28 4.46 0.16 2.79 2.12 -1.26 -0.67 118.70 126.01 1xr4 s GLU 341 Ca 0.05 0.98 0.07 0.00 0.36 0.00 0.00 54.97 56.42 1xr4 s GLU 341 Cb -0.13 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 1xr4 s GLU 341 CO 0.02 0.10 -0.15 0.96 -0.54 0.00 0.00 175.26 175.66 1xr4 s ILE 342 N 0.63 1.52 0.67 -3.70 -4.36 -0.67 -4.87 121.20 110.42 1xr4 s ILE 342 Ca 0.39 -1.93 -0.05 0.00 -0.26 0.00 0.00 60.65 58.80 1xr4 s ILE 342 Cb -0.19 -1.77 0.05 0.00 1.25 0.00 0.00 42.46 41.81 1xr4 s ILE 342 CO 0.20 -0.48 0.96 -0.94 0.24 0.00 0.00 174.94 174.92 1xr4 s SER 343 N -2.80 4.97 0.54 4.36 1.04 -1.26 -4.14 113.70 116.40 1xr4 s SER 343 Ca 0.15 0.39 0.30 0.00 0.48 0.00 0.00 55.95 57.26 1xr4 s SER 343 Cb -0.03 -1.11 1.51 0.00 0.10 0.00 0.00 66.02 66.48 1xr4 s SER 343 CO 0.04 -1.47 2.08 0.74 0.98 0.00 0.00 173.24 175.61 1xr4 h THR 344 N -0.44 0.44 -0.28 2.02 2.02 -1.65 -1.80 112.91 113.22 1xr4 h THR 344 Ca -0.44 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.13 1xr4 h THR 344 Cb 1.31 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 1xr4 h THR 344 CO 0.59 0.10 -0.24 -1.13 0.37 0.00 0.00 175.52 175.20 1xr4 h ASN 345 N 0.00 0.54 0.66 4.18 -1.24 -1.93 -1.66 115.58 116.12 1xr4 h ASN 345 Ca -0.00 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.83 1xr4 h ASN 345 Cb 0.35 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.25 1xr4 h ASN 345 CO 0.01 0.78 -0.17 0.00 -1.29 0.00 0.00 177.43 176.76 1xr4 n GLN 346 N -4.12 0.22 -0.10 6.67 6.02 -0.72 -4.15 117.38 121.20 1xr4 n GLN 346 Ca -0.00 -0.07 -0.12 0.00 -0.01 0.00 0.00 57.00 56.80 1xr4 n GLN 346 Cb 0.41 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.13 1xr4 n GLN 346 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1xr4 n TYR 347 N -1.33 0.10 -0.44 1.08 9.36 -0.94 0.40 117.16 125.39 1xr4 n TYR 347 Ca 0.09 0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1xr4 n TYR 347 Cb 0.32 -0.62 0.00 0.00 -0.63 0.00 0.00 39.34 38.41 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 -4.33 0.12 -2.02 2.98 0.00 -0.65 -1.79 120.51 114.82 1xr4 n ALA 348 Ca -0.21 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1xr4 n ALA 348 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.03 6.62 0.53 0.00 2.47 -1.21 -4.31 114.94 119.01 1xr4 s ASN 349 Ca 0.00 2.15 0.22 0.00 0.42 0.00 0.00 52.86 55.65 1xr4 s ASN 349 Cb 0.00 -2.53 1.38 0.00 -1.45 0.00 0.00 41.25 38.65 1xr4 s ASN 349 CO 0.00 -0.98 2.08 1.55 -3.72 0.00 0.00 177.10 176.03 1xr4 h PRO 350 N 9.75 0.00 -0.01 0.43 0.13 -1.84 -1.66 132.00 138.79 1xr4 h PRO 350 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1xr4 h PRO 350 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xr4 h PRO 350 CO 0.96 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.72 1xr4 n ALA 351 N -2.56 2.62 -1.64 -0.56 0.00 -1.26 -4.95 120.51 112.17 1xr4 n ALA 351 Ca 0.03 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.72 1xr4 n ALA 351 Cb 0.34 -1.25 0.07 0.00 0.00 0.00 0.00 19.45 18.61 1xr4 n ALA 351 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xr4 s SER 352 N -2.03 4.62 0.00 0.00 0.15 -0.63 -4.90 113.70 110.92 1xr4 s SER 352 Ca 0.40 2.50 0.28 0.00 0.70 0.00 0.00 55.95 59.82 1xr4 s SER 352 Cb 0.21 -2.61 1.21 0.00 -1.71 0.00 0.00 66.02 63.12 1xr4 s SER 352 CO 0.35 -1.98 1.89 0.29 1.20 0.00 0.00 173.24 174.99 1xr4 n LYS 353 N -2.05 0.05 -3.08 5.44 5.02 -1.26 -4.66 118.16 117.63 1xr4 n LYS 353 Ca 0.15 0.03 0.02 0.00 -2.02 0.00 0.00 58.31 56.48 1xr4 n LYS 353 Cb 0.49 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1xr4 n LYS 353 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1xr4 s GLY 354 N -2.94 -1.34 -0.27 0.72 0.00 -1.26 -5.13 107.32 97.11 1xr4 s GLY 354 Ca 0.15 0.67 -0.07 0.00 0.00 0.00 0.00 44.72 45.46 1xr4 s GLY 354 CO 0.49 3.87 0.07 0.00 0.00 0.00 0.00 173.10 177.54 1xr4 s ALA 355 N 2.00 3.12 0.58 3.20 0.00 -1.26 -4.27 121.76 125.14 1xr4 s ALA 355 Ca 0.16 -1.24 0.28 0.00 0.00 0.00 0.00 51.96 51.16 1xr4 s ALA 355 Cb -0.02 -2.10 1.67 0.00 0.00 0.00 0.00 23.12 22.67 1xr4 s ALA 355 CO -0.11 -0.64 2.14 0.00 0.00 0.00 0.00 175.76 177.15 1xr4 h ALA 356 N 8.24 1.77 0.00 0.00 0.00 -0.03 -1.86 119.26 127.38 1xr4 h ALA 356 Ca -0.36 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1xr4 h ALA 356 Cb 1.16 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xr4 h ALA 356 CO 0.59 -0.22 -0.15 0.00 0.00 0.00 0.00 179.25 179.47 1xr4 n GLU 358 N -3.64 0.93 -0.14 0.00 1.02 -0.70 -2.94 120.64 115.18 1xr4 n GLU 358 Ca -0.02 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.17 1xr4 n GLU 358 Cb 0.28 -1.38 0.12 0.00 -0.02 0.00 0.00 31.44 30.43 1xr4 n GLU 358 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xr4 n ARG 359 N -0.88 2.80 -2.83 3.49 1.74 -0.36 -4.85 116.66 115.76 1xr4 n ARG 359 Ca 0.17 -2.01 -0.40 0.00 -0.77 0.00 0.00 57.85 54.84 1xr4 n ARG 359 Cb 0.08 -1.27 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 1xr4 n ARG 359 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1xr4 s LEU 360 N -1.37 4.59 -0.13 0.55 2.96 -1.15 -4.80 118.68 119.33 1xr4 s LEU 360 Ca 0.19 1.80 -0.22 0.00 -0.22 0.00 0.00 54.13 55.67 1xr4 s LEU 360 Cb 0.12 -3.49 -0.26 0.00 0.50 0.00 0.00 46.19 43.07 1xr4 s LEU 360 CO 0.09 0.13 0.60 0.78 -1.32 0.00 0.00 176.35 176.62 1xr4 h ASN 361 N 4.55 0.18 -3.81 3.68 -0.26 -1.79 -2.10 115.58 116.04 1xr4 h ASN 361 Ca -0.45 -0.84 -0.32 0.00 -0.56 0.00 0.00 56.30 54.13 1xr4 h ASN 361 Cb 1.20 -0.06 -0.29 0.00 -1.06 0.00 0.00 38.32 38.11 1xr4 h ASN 361 CO 0.68 1.36 -0.75 -0.69 -1.06 0.00 0.00 177.43 176.97 1xr4 s VAL 362 N -2.36 0.34 0.00 2.81 1.01 -0.88 -1.36 120.40 119.97 1xr4 s VAL 362 Ca -0.21 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1xr4 s VAL 362 Cb 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1xr4 s VAL 362 CO 0.71 0.11 0.00 0.55 0.00 0.00 0.00 175.10 176.48 1xr4 n VAL 363 N 3.18 0.00 0.00 2.92 3.14 -0.86 -0.84 118.33 125.88 1xr4 n VAL 363 Ca -0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 1xr4 n VAL 363 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 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 0.49 -1.76 117.00 127.05 1xr4 n LEU 365 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1xr4 n LEU 365 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1xr4 n LEU 365 CO 0.00 0.00 0.13 -1.54 -1.33 0.00 0.00 177.39 174.65 1xr4 n SER 366 N 0.00 0.55 -3.63 -1.43 3.41 -1.26 -1.55 113.62 109.71 1xr4 n SER 366 Ca 0.00 -1.42 -0.13 0.00 -0.26 0.00 0.00 58.87 57.06 1xr4 n SER 366 Cb 0.00 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.44 -1.80 0.01 7.33 0.00 -1.26 -4.83 121.76 118.76 1xr4 s ALA 367 Ca 0.19 2.00 -0.18 0.00 0.00 0.00 0.00 51.96 53.96 1xr4 s ALA 367 Cb -0.01 -1.19 -0.33 0.00 0.00 0.00 0.00 23.12 21.59 1xr4 s ALA 367 CO 0.12 -0.33 0.99 -0.07 0.00 0.00 0.00 175.76 176.47 1xr4 h LEU 368 N 4.86 0.72 -7.90 0.00 3.38 -1.44 -3.48 115.31 111.44 1xr4 h LEU 368 Ca -0.29 -0.91 -0.15 0.00 0.09 0.00 0.00 57.88 56.62 1xr4 h LEU 368 Cb 1.16 -0.23 -0.20 0.00 0.09 0.00 0.00 40.66 41.48 1xr4 h LEU 368 CO 0.06 1.57 -0.60 -1.61 0.09 0.00 0.00 178.44 177.95 1xr4 s GLU 369 N -2.64 0.43 -0.02 1.13 2.02 -1.03 -4.68 118.70 113.91 1xr4 s GLU 369 Ca -0.11 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.29 1xr4 s GLU 369 Cb 0.03 0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.44 1xr4 s GLU 369 CO 0.90 -0.09 -0.02 -1.50 0.02 0.00 0.00 175.26 174.57 1xr4 s ILE 370 N -1.78 0.26 0.45 -1.63 2.07 0.30 -1.08 121.20 119.79 1xr4 s ILE 370 Ca -0.12 -0.04 0.07 0.00 -1.41 0.00 0.00 60.65 59.15 1xr4 s ILE 370 Cb -0.07 -0.29 0.07 0.00 0.13 0.00 0.00 42.46 42.31 1xr4 s ILE 370 CO -0.01 0.13 0.61 -0.90 -1.91 0.00 0.00 174.94 172.85 1xr4 n ASP 371 N 3.62 1.66 0.02 4.50 5.68 -0.52 -1.75 116.55 129.76 1xr4 n ASP 371 Ca -0.21 -2.20 0.09 0.00 -0.50 0.00 0.00 54.79 51.97 1xr4 n ASP 371 Cb 0.54 -0.32 0.39 0.00 -1.14 0.00 0.00 41.12 40.59 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 -1.97 0.78 0.81 2.12 0.24 -1.08 -0.31 118.33 118.92 1xr4 n VAL 372 Ca 0.12 0.18 0.09 0.00 -2.04 0.00 0.00 64.34 62.69 1xr4 n VAL 372 Cb 0.46 -0.91 0.25 0.00 -1.47 0.00 0.00 33.84 32.18 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 -1.59 2.17 0.00 -1.34 3.02 -1.26 -4.88 115.26 111.38 1xr4 n ASN 373 Ca 0.04 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1xr4 n ASN 373 Cb 0.22 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1xr4 n ASN 373 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1xr4 n PHE 374 N 0.67 0.00 -1.73 3.10 3.72 0.57 -4.11 117.46 119.68 1xr4 n PHE 374 Ca 0.15 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.13 1xr4 n PHE 374 Cb 0.37 -1.10 -0.02 0.00 -0.94 0.00 0.00 39.48 37.80 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 -0.37 3.47 -4.29 4.37 3.02 -1.26 -3.89 115.26 116.31 1xr4 n ASN 375 Ca 0.00 1.16 -0.33 0.00 -0.03 0.00 0.00 54.58 55.38 1xr4 n ASN 375 Cb 0.19 -1.54 -0.16 0.00 -0.61 0.00 0.00 39.78 37.65 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 -0.25 2.59 -0.26 2.41 1.01 -0.31 -1.44 120.40 124.15 1xr4 s VAL 376 Ca 0.63 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 1xr4 s VAL 376 Cb -0.54 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1xr4 s VAL 376 CO 0.52 0.54 0.33 0.21 0.00 0.00 0.00 175.10 176.70 1xr4 s ASN 377 N 0.42 6.23 -0.33 3.32 2.47 -0.24 -1.17 114.94 125.64 1xr4 s ASN 377 Ca -0.13 0.26 0.10 0.00 0.42 0.00 0.00 52.86 53.51 1xr4 s ASN 377 Cb -0.17 -2.19 0.46 0.00 -1.45 0.00 0.00 41.25 37.90 1xr4 s ASN 377 CO 0.06 -0.13 1.14 1.33 -3.72 0.00 0.00 177.10 175.78 1xr4 n VAL 378 N 4.93 2.18 -0.90 -5.21 0.24 -1.26 -1.04 118.33 117.27 1xr4 n VAL 378 Ca -0.10 -4.15 -0.31 0.00 -2.04 0.00 0.00 64.34 57.75 1xr4 n VAL 378 Cb 0.51 -0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 32.18 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 -0.58 1.20 -1.33 3.34 -2.24 -1.26 -2.64 114.28 110.78 1xr4 n THR 380 Ca 0.35 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.50 1xr4 n THR 380 Cb 0.85 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 69.29 1xr4 n THR 380 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xr4 s GLY 381 N -0.65 1.63 0.51 3.38 0.00 0.26 -4.88 107.32 107.57 1xr4 s GLY 381 Ca 0.41 -0.92 0.33 0.00 0.00 0.00 0.00 44.72 44.54 1xr4 s GLY 381 CO 0.37 -0.12 1.97 1.48 0.00 0.00 0.00 173.10 176.80 1xr4 h SER 382 N -2.21 0.00 -0.36 1.64 4.64 -1.97 -0.60 113.55 114.69 1xr4 h SER 382 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1xr4 h SER 382 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1xr4 h SER 382 CO 0.40 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.90 1xr4 n ASN 383 N -2.92 2.38 0.00 4.97 6.94 -1.26 -4.90 115.26 120.47 1xr4 n ASN 383 Ca 0.00 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 1xr4 n ASN 383 Cb 0.26 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 1xr4 n ASN 383 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xr4 n GLY 384 N 1.25 1.19 3.77 4.83 0.00 -0.23 -4.94 105.19 111.05 1xr4 n GLY 384 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.49 4.62 0.04 1.61 1.01 -1.26 -4.73 120.40 118.20 1xr4 s VAL 385 Ca 0.00 1.54 -0.31 0.00 0.00 0.00 0.00 61.98 63.21 1xr4 s VAL 385 Cb 0.00 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 1xr4 s VAL 385 CO 0.00 0.46 1.95 0.18 0.00 0.00 0.00 175.10 177.69 1xr4 n LEU 386 N 2.17 4.09 0.00 3.92 4.77 -1.26 -0.57 117.00 130.11 1xr4 n LEU 386 Ca -0.06 0.92 0.00 0.00 -0.03 0.00 0.00 56.01 56.84 1xr4 n LEU 386 Cb 0.50 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 1xr4 n LEU 386 CO 0.45 0.18 0.00 -1.14 -1.33 0.00 0.00 177.39 175.55 1xr4 n ARG 387 N 7.22 2.08 0.00 3.23 0.63 -1.23 -4.17 116.66 124.43 1xr4 n ARG 387 Ca 0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 1xr4 n ARG 387 Cb 0.39 -0.17 0.00 0.00 0.45 0.00 0.00 32.46 33.13 1xr4 n ARG 387 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xr4 n GLY 388 N 0.00 6.79 3.00 5.14 0.00 -1.22 -4.46 105.19 114.44 1xr4 n GLY 388 Ca 0.00 -2.00 -0.21 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.02 0.88 0.03 4.61 0.00 -1.08 -2.24 121.76 121.94 1xr4 s ALA 389 Ca 0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 51.96 51.40 1xr4 s ALA 389 Cb 0.00 -0.34 -0.17 0.00 0.00 0.00 0.00 23.12 22.61 1xr4 s ALA 389 CO 0.00 0.13 1.45 1.03 0.00 0.00 0.00 175.76 178.37 1xr4 h SER 390 N 6.47 0.08 0.00 0.00 0.87 -0.27 -3.46 113.55 117.24 1xr4 h SER 390 Ca -0.33 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 1xr4 h SER 390 Cb 1.17 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1xr4 h SER 390 CO 0.49 0.37 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 1xr4 n GLY 391 N -0.25 2.11 1.18 5.77 0.00 -1.20 -2.77 105.19 110.03 1xr4 n GLY 391 Ca -0.07 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 1.98 0.35 -0.02 0.00 -1.26 -0.12 105.19 106.12 1xr4 n GLY 392 Ca 0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 3.71 -0.93 0.00 1.61 6.17 -1.88 -0.36 115.15 123.47 1xr4 h HIS 393 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1xr4 h HIS 393 Cb 0.86 0.41 0.00 0.00 2.52 0.00 0.00 27.41 31.20 1xr4 h HIS 393 CO 0.43 -0.43 0.00 0.66 0.71 0.00 0.00 177.93 179.30 1xr4 h SER 394 N -0.48 0.00 0.00 3.26 4.64 -1.81 -2.42 113.55 116.74 1xr4 h SER 394 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1xr4 h SER 394 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1xr4 h SER 394 CO -0.28 0.00 -0.00 0.44 -0.87 0.00 0.00 176.83 176.12 1xr4 h ASP 395 N 0.00 -0.00 0.30 4.97 3.32 -1.65 -2.72 116.42 120.64 1xr4 h ASP 395 Ca 0.00 -0.98 -0.09 0.00 0.02 0.00 0.00 57.03 55.98 1xr4 h ASP 395 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1xr4 h ASP 395 CO 0.00 0.99 -0.38 0.71 -1.72 0.00 0.00 179.24 178.84 1xr4 h THR 396 N -0.99 1.29 -0.10 0.35 1.35 -1.15 -1.82 112.91 111.83 1xr4 h THR 396 Ca -0.00 -1.38 -0.02 0.00 -0.55 0.00 0.00 66.41 64.46 1xr4 h THR 396 Cb 0.98 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1xr4 h THR 396 CO 0.00 0.40 -0.00 0.00 -0.25 0.00 0.00 175.52 175.67 1xr4 h ALA 397 N 1.52 0.14 -0.95 6.62 0.00 -1.53 0.51 119.26 125.57 1xr4 h ALA 397 Ca 0.01 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1xr4 h ALA 397 Cb 0.72 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1xr4 h ALA 397 CO 0.05 -0.17 0.62 0.00 0.00 0.00 0.00 179.25 179.76 1xr4 h ALA 398 N 0.73 1.40 0.15 0.00 0.00 -1.49 -3.30 119.26 116.75 1xr4 h ALA 398 Ca 0.03 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1xr4 h ALA 398 Cb 0.37 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.85 1xr4 h ALA 398 CO 0.01 0.49 -1.05 0.78 0.00 0.00 0.00 179.25 179.48 1xr4 h GLY 399 N 1.18 0.37 -1.77 0.00 0.00 -1.20 -3.48 103.07 98.17 1xr4 h GLY 399 Ca 0.38 -0.94 -0.53 0.00 0.00 0.00 0.00 47.33 46.25 1xr4 h GLY 399 CO -0.12 0.82 0.40 0.00 0.00 0.00 0.00 176.54 177.63 1xr4 s ALA 400 N -2.46 2.17 0.10 3.60 0.00 0.16 -4.39 121.76 120.94 1xr4 s ALA 400 Ca -0.14 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 1xr4 s ALA 400 Cb 0.02 -3.46 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 1xr4 s ALA 400 CO 0.83 -1.80 1.32 -0.44 0.00 0.00 0.00 175.76 175.68 1xr4 h ASP 401 N -0.22 0.94 -3.27 0.00 3.32 -1.39 -3.44 116.42 112.37 1xr4 h ASP 401 Ca -0.48 -0.61 -0.46 0.00 0.02 0.00 0.00 57.03 55.51 1xr4 h ASP 401 Cb 1.29 -0.28 -0.37 0.00 0.22 0.00 0.00 39.33 40.19 1xr4 h ASP 401 CO 0.50 1.40 -0.78 -0.22 -1.72 0.00 0.00 179.24 178.42 1xr4 s LEU 402 N -8.49 0.88 -0.22 1.55 2.96 -0.46 -5.04 118.68 109.86 1xr4 s LEU 402 Ca -0.11 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1xr4 s LEU 402 Cb 0.09 -0.56 0.03 0.00 0.50 0.00 0.00 46.19 46.25 1xr4 s LEU 402 CO 0.90 -0.15 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.76 1xr4 s THR 403 N 1.71 2.37 -0.18 3.68 2.01 -1.26 -2.02 115.64 121.95 1xr4 s THR 403 Ca 0.02 -1.11 -0.05 0.00 0.31 0.00 0.00 61.69 60.86 1xr4 s THR 403 Cb -0.13 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1xr4 s THR 403 CO -0.05 0.30 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.54 1xr4 s ILE 404 N 1.26 3.99 -0.27 1.82 1.01 -0.72 -1.83 121.20 126.45 1xr4 s ILE 404 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.22 1xr4 s ILE 404 Cb -0.16 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 1xr4 s ILE 404 CO -0.08 0.46 0.22 -0.63 0.00 0.00 0.00 174.94 174.91 1xr4 s ILE 405 N 0.64 5.29 -0.25 2.92 -1.09 0.11 -0.38 121.20 128.44 1xr4 s ILE 405 Ca -0.01 0.23 -0.07 0.00 -2.23 0.00 0.00 60.65 58.58 1xr4 s ILE 405 Cb -0.14 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.16 1xr4 s ILE 405 CO 0.02 0.25 0.06 0.42 -1.23 0.00 0.00 174.94 174.45 1xr4 s THR 406 N 1.73 4.15 -0.17 2.92 -4.23 -0.59 -0.19 115.64 119.25 1xr4 s THR 406 Ca 0.08 -0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 60.18 1xr4 s THR 406 Cb -0.16 -2.96 0.05 0.00 1.34 0.00 0.00 72.50 70.77 1xr4 s THR 406 CO 0.10 0.32 0.44 0.00 -0.54 0.00 0.00 174.62 174.95 1xr4 s ALA 407 N 1.59 -1.09 0.70 3.99 0.00 -0.92 -4.24 121.76 121.77 1xr4 s ALA 407 Ca 0.06 1.29 -0.16 0.00 0.00 0.00 0.00 51.96 53.15 1xr4 s ALA 407 Cb -0.15 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1xr4 s ALA 407 CO 0.03 -0.22 1.22 -1.25 0.00 0.00 0.00 175.76 175.53 1xr4 s PRO 408 N 0.40 2.35 0.34 0.00 0.04 -1.26 -3.99 135.00 132.87 1xr4 s PRO 408 Ca -0.01 1.80 0.01 0.00 0.04 0.00 0.00 61.00 62.84 1xr4 s PRO 408 Cb -0.04 -1.85 0.59 0.00 0.04 0.00 0.00 34.50 33.24 1xr4 s PRO 408 CO -0.01 -1.69 2.00 1.25 0.04 0.00 0.00 177.00 178.59 1xr4 h LEU 409 N 0.01 0.78 -7.72 -3.56 5.85 -1.94 -3.41 115.31 105.32 1xr4 h LEU 409 Ca -0.48 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 57.99 1xr4 h LEU 409 Cb 1.30 -0.19 -0.28 0.00 0.37 0.00 0.00 40.66 41.86 1xr4 h LEU 409 CO 0.51 0.56 -0.70 -0.69 -0.34 0.00 0.00 178.44 177.79 1xr4 s VAL 410 N -5.77 0.00 -0.34 1.05 1.01 -1.26 -0.85 120.40 114.24 1xr4 s VAL 410 Ca -0.10 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1xr4 s VAL 410 Cb 0.18 -0.04 0.10 0.00 0.00 0.00 0.00 36.38 36.61 1xr4 s VAL 410 CO 0.77 -0.02 0.05 -0.13 0.00 0.00 0.00 175.10 175.77 1xr4 s ARG 411 N -0.03 1.60 6.37 2.72 0.52 0.24 -4.91 118.95 125.45 1xr4 s ARG 411 Ca -0.00 -1.82 0.00 0.00 -0.52 0.00 0.00 55.73 53.38 1xr4 s ARG 411 Cb -0.00 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1xr4 s ARG 411 CO 0.00 -0.91 0.00 0.41 0.02 0.00 0.00 175.30 174.82 1xr4 n GLY 412 N 4.30 1.85 1.05 -3.53 0.00 -1.26 -1.48 105.19 106.12 1xr4 n GLY 412 Ca 0.02 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.36 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 2.49 2.37 -3.93 1.61 1.74 -1.26 -4.93 116.66 114.74 1xr4 n ARG 413 Ca 0.00 -2.17 -0.35 0.00 -0.77 0.00 0.00 57.85 54.56 1xr4 n ARG 413 Cb 0.00 -1.47 -0.13 0.00 -1.02 0.00 0.00 32.46 29.84 1xr4 n ARG 413 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xr4 s ILE 414 N -1.42 3.96 0.26 0.55 1.01 -0.55 -4.80 121.20 120.21 1xr4 s ILE 414 Ca 0.35 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1xr4 s ILE 414 Cb 0.21 -2.81 -0.09 0.00 0.01 0.00 0.00 42.46 39.77 1xr4 s ILE 414 CO 0.29 0.40 1.11 -2.16 0.00 0.00 0.00 174.94 174.57 1xr4 s PRO 415 N 1.30 4.62 -0.14 2.79 0.04 -1.26 0.81 135.00 143.16 1xr4 s PRO 415 Ca 0.04 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 1xr4 s PRO 415 Cb -0.15 -3.21 -0.24 0.00 0.04 0.00 0.00 34.50 30.94 1xr4 s PRO 415 CO 0.01 0.17 0.27 0.00 0.04 0.00 0.00 177.00 177.50 1xr4 s VAL 417 N -2.55 4.89 0.37 0.00 1.01 -1.24 -0.54 120.40 122.34 1xr4 s VAL 417 Ca -0.24 1.30 0.04 0.00 0.00 0.00 0.00 61.98 63.09 1xr4 s VAL 417 Cb 0.07 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1xr4 s VAL 417 CO 0.74 -0.07 0.11 0.68 0.00 0.00 0.00 175.10 176.56 1xr4 s VAL 418 N 2.73 0.74 -0.04 2.92 -7.23 -0.72 -4.69 120.40 114.12 1xr4 s VAL 418 Ca 0.31 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.24 1xr4 s VAL 418 Cb -0.15 -2.48 -0.22 0.00 0.56 0.00 0.00 36.38 34.08 1xr4 s VAL 418 CO 0.09 0.00 1.09 -0.08 -0.31 0.00 0.00 175.10 175.89 1xr4 h GLU 419 N 1.92 0.19 -2.96 4.82 4.57 -1.94 -2.86 114.58 118.32 1xr4 h GLU 419 Ca -0.37 -0.17 -0.25 0.00 -1.18 0.00 0.00 59.36 57.39 1xr4 h GLU 419 Cb 1.26 0.04 -0.34 0.00 -0.16 0.00 0.00 28.75 29.56 1xr4 h GLU 419 CO 0.60 0.87 -0.57 0.21 -1.18 0.00 0.00 179.01 178.94 1xr4 s LYS 420 N -3.38 0.10 0.56 1.92 2.20 -1.26 -3.33 119.74 116.55 1xr4 s LYS 420 Ca -0.16 0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 55.93 1xr4 s LYS 420 Cb 0.02 -0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 36.15 1xr4 s LYS 420 CO 0.74 -0.29 1.15 0.14 -0.36 0.00 0.00 175.35 176.72 1xr4 s VAL 421 N 2.33 3.05 0.10 4.02 -7.23 -1.26 -4.98 120.40 116.44 1xr4 s VAL 421 Ca 0.02 0.65 -0.22 0.00 -1.81 0.00 0.00 61.98 60.62 1xr4 s VAL 421 Cb -0.12 -3.26 -0.11 0.00 0.56 0.00 0.00 36.38 33.45 1xr4 s VAL 421 CO -0.07 -0.15 1.73 -0.07 -0.31 0.00 0.00 175.10 176.23 1xr4 h LEU 422 N 1.11 -0.07 -8.08 1.32 3.38 -1.96 -3.42 115.31 107.59 1xr4 h LEU 422 Ca -0.50 0.02 -0.57 0.00 0.09 0.00 0.00 57.88 56.91 1xr4 h LEU 422 Cb 1.27 0.04 -0.34 0.00 0.09 0.00 0.00 40.66 41.73 1xr4 h LEU 422 CO 0.56 -0.03 -0.84 -0.89 0.09 0.00 0.00 178.44 177.34 1xr4 s THR 423 N -6.19 1.46 -0.26 0.22 2.01 -1.26 -5.02 115.64 106.61 1xr4 s THR 423 Ca -0.13 -0.66 -0.24 0.00 0.31 0.00 0.00 61.69 60.97 1xr4 s THR 423 Cb 0.07 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 1xr4 s THR 423 CO 0.67 0.43 0.79 -0.89 -0.69 0.00 0.00 174.62 174.93 1xr4 s THR 424 N 0.66 4.85 -0.19 -0.82 2.01 -1.26 -3.74 115.64 117.15 1xr4 s THR 424 Ca -0.14 1.41 -0.06 0.00 0.31 0.00 0.00 61.69 63.22 1xr4 s THR 424 Cb -0.16 -4.10 -0.10 0.00 0.01 0.00 0.00 72.50 68.16 1xr4 s THR 424 CO 0.04 -0.10 -0.22 0.52 -0.69 0.00 0.00 174.62 174.17 1xr4 n VAL 425 N 5.31 1.07 -4.13 3.82 0.31 -0.32 -4.52 118.33 119.88 1xr4 n VAL 425 Ca 0.04 -0.32 -0.34 0.00 -0.01 0.00 0.00 64.34 63.72 1xr4 n VAL 425 Cb 0.48 -1.55 -0.15 0.00 -0.91 0.00 0.00 33.84 31.70 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 -2.36 2.64 0.47 2.52 2.01 -1.08 -4.82 115.64 115.02 1xr4 s THR 426 Ca -0.26 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 60.77 1xr4 s THR 426 Cb 0.09 -2.15 -0.08 0.00 0.01 0.00 0.00 72.50 70.38 1xr4 s THR 426 CO 0.37 0.49 1.10 -2.16 -0.69 0.00 0.00 174.62 173.73 1xr4 s PRO 427 N 1.26 3.77 0.39 4.92 0.04 -1.26 -1.16 135.00 142.96 1xr4 s PRO 427 Ca 0.03 1.57 0.07 0.00 0.04 0.00 0.00 61.00 62.70 1xr4 s PRO 427 Cb -0.14 -2.26 0.80 0.00 0.04 0.00 0.00 34.50 32.93 1xr4 s PRO 427 CO -0.07 -0.49 2.01 0.78 0.04 0.00 0.00 177.00 179.27 1xr4 h GLY 428 N 1.83 0.56 0.69 0.56 0.00 -1.71 -1.12 103.07 103.87 1xr4 h GLY 428 Ca -0.49 -0.24 0.05 0.00 0.00 0.00 0.00 47.33 46.65 1xr4 h GLY 428 CO 0.60 0.23 0.61 0.00 0.00 0.00 0.00 176.54 177.98 1xr4 h ALA 429 N 1.68 1.79 0.00 3.60 0.00 -1.88 0.61 119.26 125.06 1xr4 h ALA 429 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xr4 h ALA 429 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xr4 h ALA 429 CO -0.02 -0.70 -0.84 0.43 0.00 0.00 0.00 179.25 178.12 1xr4 n SER 430 N -2.96 0.72 -4.64 0.00 7.64 -0.42 -4.94 113.62 109.01 1xr4 n SER 430 Ca 0.02 -0.54 -0.34 0.00 1.01 0.00 0.00 58.87 59.02 1xr4 n SER 430 Cb 0.69 0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 64.50 1xr4 n SER 430 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1xr4 s VAL 431 N -3.05 4.79 -0.20 0.44 1.01 0.21 -4.60 120.40 118.99 1xr4 s VAL 431 Ca 0.08 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1xr4 s VAL 431 Cb 0.16 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 33.29 1xr4 s VAL 431 CO 0.79 0.47 -0.23 0.47 0.00 0.00 0.00 175.10 176.60 1xr4 n ASP 432 N 3.48 1.82 -3.98 3.32 8.00 -0.76 -4.64 116.55 123.79 1xr4 n ASP 432 Ca -0.17 0.12 -0.19 0.00 0.71 0.00 0.00 54.79 55.27 1xr4 n ASP 432 Cb 0.52 -0.50 -0.15 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.38 0.68 -0.25 2.53 1.01 -0.80 -0.44 120.40 120.75 1xr4 s VAL 433 Ca -0.28 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1xr4 s VAL 433 Cb 0.09 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1xr4 s VAL 433 CO 0.39 0.21 0.11 -0.22 0.00 0.00 0.00 175.10 175.60 1xr4 s LEU 434 N 0.18 3.71 -0.23 3.92 2.96 0.43 -0.71 118.68 128.93 1xr4 s LEU 434 Ca -0.02 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1xr4 s LEU 434 Cb -0.08 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.61 1xr4 s LEU 434 CO 0.00 -0.01 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.29 1xr4 s VAL 435 N 1.52 3.27 0.30 1.68 1.01 0.73 -1.17 120.40 127.74 1xr4 s VAL 435 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1xr4 s VAL 435 Cb -0.15 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 1xr4 s VAL 435 CO 0.06 0.34 0.01 0.35 0.00 0.00 0.00 175.10 175.85 1xr4 n THR 436 N 4.77 0.00 1.46 3.92 -2.24 -0.48 -2.17 114.28 119.54 1xr4 n THR 436 Ca -0.17 -1.46 0.14 0.00 -2.27 0.00 0.00 64.05 60.29 1xr4 n THR 436 Cb 0.50 0.32 0.67 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.25 0.34 -0.11 3.42 5.75 -1.26 -3.64 116.55 119.81 1xr4 n ASP 437 Ca -0.12 -0.52 0.09 0.00 -0.01 0.00 0.00 54.79 54.22 1xr4 n ASP 437 Cb 0.39 -0.11 0.13 0.00 -1.03 0.00 0.00 41.12 40.49 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 -1.01 0.05 0.00 2.11 8.25 -1.26 -5.01 115.22 118.35 1xr4 n HIS 438 Ca 0.15 -0.93 0.00 0.00 -0.26 0.00 0.00 57.72 56.69 1xr4 n HIS 438 Cb 0.26 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.26 1.59 3.22 -1.41 0.00 -1.24 -5.01 105.19 101.09 1xr4 n GLY 439 Ca 0.14 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.33 1.85 -0.08 -0.61 1.01 -1.26 -1.38 121.20 119.40 1xr4 s ILE 440 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.72 1xr4 s ILE 440 Cb 0.00 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1xr4 s ILE 440 CO 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 174.94 175.34 1xr4 s ALA 441 N -0.03 1.36 -0.14 9.38 0.00 -0.32 -4.54 121.76 127.48 1xr4 s ALA 441 Ca -0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 1xr4 s ALA 441 Cb -0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1xr4 s ALA 441 CO 0.04 -0.02 0.09 0.08 0.00 0.00 0.00 175.76 175.95 1xr4 s VAL 442 N 0.91 5.09 0.03 0.00 1.01 -1.26 -0.43 120.40 125.76 1xr4 s VAL 442 Ca -0.10 0.06 -0.32 0.00 0.00 0.00 0.00 61.98 61.62 1xr4 s VAL 442 Cb -0.15 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.89 1xr4 s VAL 442 CO 0.01 0.56 1.86 -3.20 0.00 0.00 0.00 175.10 174.33 1xr4 n ASN 443 N 2.53 3.79 0.31 3.32 2.85 0.41 -4.85 115.26 123.61 1xr4 n ASN 443 Ca -0.18 0.97 0.19 0.00 -0.11 0.00 0.00 54.58 55.44 1xr4 n ASN 443 Cb 0.54 -1.47 0.98 0.00 1.24 0.00 0.00 39.78 41.07 1xr4 n ASN 443 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xr4 h PRO 444 N 9.06 0.00 0.00 1.20 0.13 -1.95 -0.38 132.00 140.07 1xr4 h PRO 444 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xr4 h PRO 444 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1xr4 h PRO 444 CO 0.94 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.70 1xr4 h ALA 445 N 1.70 1.02 -2.26 -0.56 0.00 -1.96 -3.33 119.26 113.87 1xr4 h ALA 445 Ca 0.02 -0.01 -0.79 0.00 0.00 0.00 0.00 54.91 54.13 1xr4 h ALA 445 Cb 0.36 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.86 1xr4 h ALA 445 CO -0.00 0.01 0.54 0.54 0.00 0.00 0.00 179.25 180.34 1xr4 n ARG 446 N -3.12 3.90 0.10 0.00 5.12 -0.15 -4.86 116.66 117.65 1xr4 n ARG 446 Ca -0.01 -4.52 0.00 0.00 -1.93 0.00 0.00 57.85 51.39 1xr4 n ARG 446 Cb 0.20 -2.51 0.31 0.00 -1.16 0.00 0.00 32.46 29.30 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 5.93 0.26 -0.42 5.56 5.75 -1.81 -2.59 115.11 127.79 1xr4 h GLN 447 Ca 0.19 -0.08 0.04 0.00 -0.15 0.00 0.00 58.65 58.64 1xr4 h GLN 447 Cb 0.74 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.22 1xr4 h GLN 447 CO 1.15 0.50 0.19 0.38 -2.65 0.00 0.00 178.83 178.40 1xr4 h ASP 448 N 0.23 0.26 -0.20 -0.69 -0.00 -1.94 -1.70 116.42 112.38 1xr4 h ASP 448 Ca 0.04 0.03 -0.03 0.00 -0.00 0.00 0.00 57.03 57.06 1xr4 h ASP 448 Cb 0.57 -0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 39.88 1xr4 h ASP 448 CO 0.04 0.19 -0.01 -0.07 -0.00 0.00 0.00 179.24 179.40 1xr4 h LEU 449 N 0.39 0.35 -0.24 0.15 4.07 -1.84 -1.62 115.31 116.57 1xr4 h LEU 449 Ca 0.18 -0.32 0.06 0.00 0.08 0.00 0.00 57.88 57.89 1xr4 h LEU 449 Cb 0.12 -0.09 -0.07 0.00 1.08 0.00 0.00 40.66 41.69 1xr4 h LEU 449 CO -0.15 0.58 -0.33 -0.07 -1.08 0.00 0.00 178.44 177.39 1xr4 h LEU 450 N 0.11 -1.07 -0.27 1.67 3.38 -1.34 -0.32 115.31 117.48 1xr4 h LEU 450 Ca 0.06 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1xr4 h LEU 450 Cb 0.41 0.47 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1xr4 h LEU 450 CO 0.01 -0.35 0.09 0.44 0.09 0.00 0.00 178.44 178.73 1xr4 h ASP 451 N -0.34 0.11 -0.51 -0.43 5.19 -1.20 0.99 116.42 120.22 1xr4 h ASP 451 Ca 0.12 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1xr4 h ASP 451 Cb 0.55 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 1xr4 h ASP 451 CO -0.43 0.09 0.24 0.78 -3.12 0.00 0.00 179.24 176.80 1xr4 h ASN 452 N 0.22 0.68 -0.00 6.45 2.35 -1.10 -0.83 115.58 123.33 1xr4 h ASN 452 Ca 0.12 -0.14 -0.26 0.00 -0.55 0.00 0.00 56.30 55.47 1xr4 h ASN 452 Cb 0.09 -0.17 0.02 0.00 0.05 0.00 0.00 38.32 38.30 1xr4 h ASN 452 CO -0.12 0.63 -0.99 -0.07 -1.65 0.00 0.00 177.43 175.23 1xr4 h LEU 453 N 0.68 0.89 -0.24 1.61 3.38 -0.88 -2.72 115.31 118.03 1xr4 h LEU 453 Ca 0.17 -0.69 0.03 0.00 0.09 0.00 0.00 57.88 57.49 1xr4 h LEU 453 Cb 0.14 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1xr4 h LEU 453 CO -0.02 1.49 0.04 0.03 0.09 0.00 0.00 178.44 180.07 1xr4 h ARG 454 N 0.41 0.13 0.00 1.13 3.08 -0.78 -1.57 114.38 116.79 1xr4 h ARG 454 Ca -0.11 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1xr4 h ARG 454 Cb 1.63 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.65 1xr4 h ARG 454 CO 0.19 0.08 -0.10 0.00 -1.07 0.00 0.00 179.97 179.08 1xr4 h ALA 455 N 1.18 1.35 -0.01 0.04 0.00 -1.15 -1.61 119.26 119.06 1xr4 h ALA 455 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xr4 h ALA 455 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xr4 h ALA 455 CO -0.15 0.13 -0.02 0.00 0.00 0.00 0.00 179.25 179.20 1xr4 n ALA 456 N -2.30 2.63 -1.95 0.00 0.00 -1.03 -4.94 120.51 112.92 1xr4 n ALA 456 Ca -0.02 -0.43 -0.07 0.00 0.00 0.00 0.00 53.44 52.92 1xr4 n ALA 456 Cb 0.21 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 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 1.19 0.25 3.66 0.00 0.00 -0.61 -5.01 105.19 104.67 1xr4 n GLY 457 Ca 0.18 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.32 4.68 -0.13 1.61 1.01 -0.61 -5.00 120.40 119.64 1xr4 s VAL 458 Ca 0.00 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 1xr4 s VAL 458 Cb 0.00 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1xr4 s VAL 458 CO 0.00 -0.19 1.36 0.00 0.00 0.00 0.00 175.10 176.27 1xr4 s ALA 459 N 3.21 3.64 0.00 5.51 0.00 -1.26 -4.46 121.76 128.40 1xr4 s ALA 459 Ca 0.44 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1xr4 s ALA 459 Cb -0.15 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1xr4 s ALA 459 CO 0.07 -1.21 0.00 1.28 0.00 0.00 0.00 175.76 175.90 1xr4 n LEU 460 N 6.65 0.00 -4.90 0.00 4.77 -1.26 -4.46 117.00 117.79 1xr4 n LEU 460 Ca 0.15 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.82 1xr4 n LEU 460 Cb 0.44 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1xr4 n LEU 460 CO 0.58 -0.12 -0.16 0.28 -1.33 0.00 0.00 177.39 176.64 1xr4 s THR 462 N 0.31 5.27 0.43 -5.08 -1.32 -1.26 -4.92 115.64 109.07 1xr4 s THR 462 Ca 0.00 -0.48 0.15 0.00 -1.21 0.00 0.00 61.69 60.16 1xr4 s THR 462 Cb 0.00 -3.59 0.18 0.00 -1.51 0.00 0.00 72.50 67.58 1xr4 s THR 462 CO 0.00 0.11 1.97 -0.29 -2.21 0.00 0.00 174.62 174.20 1xr4 h ILE 463 N 2.08 1.10 -0.85 5.08 2.10 -1.92 -2.43 117.51 122.68 1xr4 h ILE 463 Ca -0.46 -0.72 -0.03 0.00 1.08 0.00 0.00 64.86 64.74 1xr4 h ILE 463 Cb 1.16 1.39 -0.04 0.00 -1.09 0.00 0.00 36.82 38.25 1xr4 h ILE 463 CO 0.74 0.20 0.42 -0.33 -1.08 0.00 0.00 178.15 178.10 1xr4 h GLU 464 N 0.00 1.22 -0.45 2.19 3.07 -1.97 0.09 114.58 118.73 1xr4 h GLU 464 Ca -0.00 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 58.65 1xr4 h GLU 464 Cb 0.37 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1xr4 h GLU 464 CO 0.03 0.93 0.17 1.96 -1.40 0.00 0.00 179.01 180.69 1xr4 h GLN 465 N 1.21 0.69 -0.49 2.33 4.20 -1.91 -1.45 115.11 119.70 1xr4 h GLN 465 Ca 0.29 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1xr4 h GLN 465 Cb 0.11 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1xr4 h GLN 465 CO -0.04 0.64 0.04 -0.07 -0.67 0.00 0.00 178.83 178.74 1xr4 h LEU 466 N 0.59 0.74 -0.25 1.46 3.38 -1.19 -2.18 115.31 117.85 1xr4 h LEU 466 Ca 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xr4 h LEU 466 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xr4 h LEU 466 CO -0.01 0.78 0.10 -0.61 0.09 0.00 0.00 178.44 178.79 1xr4 h GLN 467 N 0.74 0.38 -0.27 1.13 -0.00 -0.81 -0.42 115.11 115.85 1xr4 h GLN 467 Ca 0.15 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.65 1xr4 h GLN 467 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 1xr4 h GLN 467 CO 0.01 0.42 -0.17 1.96 0.00 0.00 0.00 178.83 181.05 1xr4 h GLN 468 N 0.26 0.48 -0.38 1.69 4.20 -1.14 -0.35 115.11 119.87 1xr4 h GLN 468 Ca 0.08 -0.15 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 1xr4 h GLN 468 Cb 0.18 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1xr4 h GLN 468 CO -0.01 0.63 -0.38 -0.09 -0.67 0.00 0.00 178.83 178.32 1xr4 h ARG 469 N 0.44 0.92 -0.66 1.46 9.65 -1.32 -0.84 114.38 124.03 1xr4 h ARG 469 Ca 0.08 -0.48 -0.05 0.00 -1.10 0.00 0.00 59.98 58.43 1xr4 h ARG 469 Cb 0.55 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.11 1xr4 h ARG 469 CO 0.04 1.13 0.21 0.00 2.80 0.00 0.00 179.97 184.15 1xr4 h ALA 470 N 0.81 1.14 -0.02 2.80 0.00 -0.25 -2.64 119.26 121.10 1xr4 h ALA 470 Ca 0.06 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1xr4 h ALA 470 Cb 0.97 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1xr4 h ALA 470 CO 0.09 0.60 -0.46 1.49 0.00 0.00 0.00 179.25 180.98 1xr4 h GLU 471 N 0.97 0.05 -0.16 0.00 4.81 -0.91 -2.54 114.58 116.80 1xr4 h GLU 471 Ca 0.22 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1xr4 h GLU 471 Cb 0.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1xr4 h GLU 471 CO -0.01 0.50 -0.20 0.37 -0.73 0.00 0.00 179.01 178.94 1xr4 h GLN 472 N 0.04 0.27 0.00 1.92 4.15 -0.81 0.17 115.11 120.85 1xr4 h GLN 472 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1xr4 h GLN 472 Cb 0.83 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1xr4 h GLN 472 CO 0.06 0.47 -0.79 1.28 -1.93 0.00 0.00 178.83 177.92 1xr4 n LEU 473 N -4.20 0.72 0.00 -2.39 4.77 -1.05 -4.41 117.00 110.43 1xr4 n LEU 473 Ca -0.01 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1xr4 n LEU 473 Cb 0.33 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1xr4 n LEU 473 CO 0.39 0.16 0.06 0.35 -1.33 0.00 0.00 177.39 177.02 1xr4 n THR 474 N -1.57 0.00 -0.69 -5.08 -2.24 -0.98 -4.99 114.28 98.73 1xr4 n THR 474 Ca 0.04 -0.19 0.09 0.00 -2.27 0.00 0.00 64.05 61.72 1xr4 n THR 474 Cb 0.35 1.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 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 0.14 -2.18 3.69 3.38 0.00 0.59 -4.68 105.19 106.12 1xr4 n GLY 475 Ca 0.00 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.46 4.29 -0.05 1.61 1.02 -1.26 -4.74 119.74 118.14 1xr4 s LYS 476 Ca 0.00 1.90 -0.27 0.00 0.02 0.00 0.00 55.97 57.62 1xr4 s LYS 476 Cb 0.00 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.68 1xr4 s LYS 476 CO 0.00 -0.57 0.88 -1.25 -0.92 0.00 0.00 175.35 173.49 1xr4 s PRO 477 N 2.50 4.47 0.08 -1.68 0.04 -1.26 -5.00 135.00 134.15 1xr4 s PRO 477 Ca 0.62 1.21 -0.31 0.00 0.04 0.00 0.00 61.00 62.56 1xr4 s PRO 477 Cb -0.30 -3.48 -0.08 0.00 0.04 0.00 0.00 34.50 30.68 1xr4 s PRO 477 CO 0.25 -0.09 1.65 -0.65 0.04 0.00 0.00 177.00 178.20 1xr4 s GLN 478 N 1.22 4.20 0.86 4.56 1.11 -1.26 -4.98 119.66 125.37 1xr4 s GLN 478 Ca 0.46 2.34 -0.13 0.00 0.01 0.00 0.00 55.36 58.03 1xr4 s GLN 478 Cb -0.19 -3.56 0.03 0.00 -1.01 0.00 0.00 33.01 28.28 1xr4 s GLN 478 CO 0.22 -0.73 0.64 -2.30 0.01 0.00 0.00 175.29 173.13 1xr4 n PRO 479 N 5.47 -0.06 -3.02 2.91 -0.02 -1.26 -5.01 135.00 134.02 1xr4 n PRO 479 Ca 0.16 0.04 -0.31 0.00 -2.02 0.00 0.00 63.50 61.36 1xr4 n PRO 479 Cb 0.40 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1xr4 n PRO 479 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xr4 s ILE 480 N -2.24 4.78 -0.73 4.25 1.09 -1.26 -5.03 121.20 122.07 1xr4 s ILE 480 Ca 0.63 0.66 -0.22 0.00 -1.10 0.00 0.00 60.65 60.62 1xr4 s ILE 480 Cb -0.26 -3.69 0.08 0.00 -1.06 0.00 0.00 42.46 37.53 1xr4 s ILE 480 CO 0.61 -0.37 1.03 -1.61 -0.10 0.00 0.00 174.94 174.49 1xr4 s GLU 481 N -3.49 3.23 0.22 2.79 0.41 -1.26 -5.03 118.70 115.57 1xr4 s GLU 481 Ca 0.51 -1.01 -0.07 0.00 -0.41 0.00 0.00 54.97 53.99 1xr4 s GLU 481 Cb -0.10 -4.41 -0.06 0.00 -1.78 0.00 0.00 34.13 27.77 1xr4 s GLU 481 CO 0.26 -1.84 0.51 -0.06 -0.49 0.00 0.00 175.26 173.65 1xr4 s PHE 482 N 3.88 3.45 0.49 1.61 0.08 -1.26 0.71 117.98 126.93 1xr4 s PHE 482 Ca 0.26 0.75 -0.01 0.00 0.12 0.00 0.00 56.93 58.04 1xr4 s PHE 482 Cb -0.14 -2.17 0.10 0.00 -0.57 0.00 0.00 43.02 40.25 1xr4 s PHE 482 CO 0.06 0.28 0.67 0.25 -0.10 0.00 0.00 175.22 176.38 1xr4 n THR 483 N -0.28 0.00 0.67 0.64 -2.24 -0.34 -4.83 114.28 107.91 1xr4 n THR 483 Ca -0.01 -0.99 0.13 0.00 -2.27 0.00 0.00 64.05 60.91 1xr4 n THR 483 Cb 0.53 -1.12 0.45 0.00 -2.10 0.00 0.00 70.33 68.08 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 -3.00 0.66 -4.69 3.42 8.00 -1.26 -4.53 116.55 115.15 1xr4 n ASP 484 Ca 0.11 0.57 -0.42 0.00 0.71 0.00 0.00 54.79 55.75 1xr4 n ASP 484 Cb 0.38 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 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 -3.10 4.26 -0.21 -1.24 3.52 -1.26 -4.92 118.95 116.01 1xr4 s ARG 485 Ca 0.11 2.09 -0.25 0.00 -0.13 0.00 0.00 55.73 57.54 1xr4 s ARG 485 Cb 0.13 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 1xr4 s ARG 485 CO 0.57 -0.61 0.86 0.08 -0.81 0.00 0.00 175.30 175.39 1xr4 s VAL 486 N 2.29 4.84 -0.12 7.11 1.01 -1.26 -0.64 120.40 133.62 1xr4 s VAL 486 Ca 0.67 1.66 0.15 0.00 0.00 0.00 0.00 61.98 64.46 1xr4 s VAL 486 Cb -0.35 -4.15 -0.21 0.00 0.00 0.00 0.00 36.38 31.67 1xr4 s VAL 486 CO 0.29 -0.04 0.14 0.52 0.00 0.00 0.00 175.10 176.00 1xr4 n VAL 487 N 5.02 0.80 -3.69 2.92 0.31 0.11 -4.54 118.33 119.25 1xr4 n VAL 487 Ca 0.06 -0.60 -0.14 0.00 -0.01 0.00 0.00 64.34 63.65 1xr4 n VAL 487 Cb 0.48 -0.40 -0.08 0.00 -0.91 0.00 0.00 33.84 32.93 1xr4 n VAL 487 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xr4 s ALA 488 N -2.59 -1.17 -0.23 3.52 0.00 -1.09 -2.14 121.76 118.07 1xr4 s ALA 488 Ca -0.07 0.96 -0.05 0.00 0.00 0.00 0.00 51.96 52.80 1xr4 s ALA 488 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1xr4 s ALA 488 CO 0.66 -0.27 -0.01 0.08 0.00 0.00 0.00 175.76 176.22 1xr4 s VAL 489 N -0.66 3.65 -0.54 0.00 1.01 0.12 -0.87 120.40 123.11 1xr4 s VAL 489 Ca -0.08 -0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 1xr4 s VAL 489 Cb -0.03 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.71 1xr4 s VAL 489 CO 0.04 0.40 0.94 -0.69 0.00 0.00 0.00 175.10 175.79 1xr4 s VAL 490 N 1.50 4.40 -0.23 2.92 1.01 0.18 -0.95 120.40 129.23 1xr4 s VAL 490 Ca 0.06 0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.16 1xr4 s VAL 490 Cb -0.14 -4.53 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 1xr4 s VAL 490 CO -0.01 -1.08 0.58 -0.13 0.00 0.00 0.00 175.10 174.46 1xr4 s ARG 491 N 3.91 4.14 0.70 2.72 1.81 0.22 -1.12 118.95 131.33 1xr4 s ARG 491 Ca 0.31 0.48 -0.15 0.00 -1.72 0.00 0.00 55.73 54.65 1xr4 s ARG 491 Cb -0.12 -3.62 0.02 0.00 -0.45 0.00 0.00 34.95 30.78 1xr4 s ARG 491 CO 0.20 -0.31 1.19 -0.47 -0.68 0.00 0.00 175.30 175.23 1xr4 s TYR 492 N 2.17 2.19 0.47 -0.53 5.04 0.18 -4.20 117.35 122.66 1xr4 s TYR 492 Ca 0.25 1.58 0.30 0.00 -2.44 0.00 0.00 57.07 56.76 1xr4 s TYR 492 Cb -0.16 -3.43 1.39 0.00 0.35 0.00 0.00 41.96 40.12 1xr4 s TYR 492 CO 0.09 -2.41 1.71 0.07 -1.34 0.00 0.00 175.55 173.67 1xr4 h ARG 493 N -0.08 0.15 0.00 4.97 0.11 -1.93 0.38 114.38 117.97 1xr4 h ARG 493 Ca -0.48 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.59 1xr4 h ARG 493 Cb 1.29 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1xr4 h ARG 493 CO 0.51 0.10 0.00 -0.40 0.10 0.00 0.00 179.97 180.28 1xr4 n ASP 494 N -4.45 0.00 0.00 0.08 5.68 -1.26 -4.35 116.55 112.25 1xr4 n ASP 494 Ca 0.31 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.70 1xr4 n ASP 494 Cb 1.27 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.25 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 0.46 2.80 3.74 6.12 0.00 0.13 -5.05 105.19 113.38 1xr4 n GLY 495 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.47 3.31 -0.20 1.61 1.04 -1.23 -4.67 113.70 112.10 1xr4 s SER 496 Ca 0.00 1.15 -0.08 0.00 0.48 0.00 0.00 55.95 57.50 1xr4 s SER 496 Cb 0.00 -1.80 -0.04 0.00 0.10 0.00 0.00 66.02 64.28 1xr4 s SER 496 CO 0.00 -2.70 0.09 0.54 0.98 0.00 0.00 173.24 172.15 1xr4 s VAL 497 N -3.11 4.95 -0.07 5.02 0.11 -1.26 0.50 120.40 126.54 1xr4 s VAL 497 Ca 0.64 0.03 0.15 0.00 -2.93 0.00 0.00 61.98 59.86 1xr4 s VAL 497 Cb -0.16 -3.25 -0.22 0.00 -1.53 0.00 0.00 36.38 31.21 1xr4 s VAL 497 CO 0.55 0.44 0.23 0.00 -3.33 0.00 0.00 175.10 172.99 1xr4 n ILE 498 N 3.70 0.40 -3.76 7.04 3.06 -0.27 -4.84 119.36 124.69 1xr4 n ILE 498 Ca -0.16 -0.46 -0.02 0.00 -2.50 0.00 0.00 62.75 59.61 1xr4 n ILE 498 Cb 0.52 -0.16 -0.01 0.00 0.54 0.00 0.00 39.64 40.54 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 -4.19 -0.12 0.07 9.51 -1.08 -1.19 -4.85 116.67 114.82 1xr4 s ASP 499 Ca -0.06 -0.40 0.04 0.00 -0.52 0.00 0.00 52.55 51.60 1xr4 s ASP 499 Cb 0.08 0.42 -0.03 0.00 -1.46 0.00 0.00 42.92 41.93 1xr4 s ASP 499 CO 0.63 -0.80 -0.11 0.68 0.52 0.00 0.00 175.17 176.09 1xr4 s VAL 500 N -2.90 0.87 -0.15 1.11 -7.23 -1.26 -0.65 120.40 110.19 1xr4 s VAL 500 Ca 0.15 -1.28 -0.05 0.00 -1.81 0.00 0.00 61.98 58.99 1xr4 s VAL 500 Cb -0.00 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.95 1xr4 s VAL 500 CO 0.02 -0.34 0.01 -0.63 -0.31 0.00 0.00 175.10 173.84 1xr4 s ILE 501 N -1.52 4.34 0.29 -0.62 1.01 -0.05 -4.94 121.20 119.72 1xr4 s ILE 501 Ca -0.04 -0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.47 1xr4 s ILE 501 Cb -0.09 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 1xr4 s ILE 501 CO 0.01 0.52 0.37 -0.13 0.00 0.00 0.00 174.94 175.71 1xr4 s ARG 502 N 0.00 3.13 0.32 2.79 0.52 -1.26 0.04 118.95 124.48 1xr4 s ARG 502 Ca 0.03 -0.99 -0.28 0.00 -0.52 0.00 0.00 55.73 53.97 1xr4 s ARG 502 Cb -0.13 -2.75 -0.10 0.00 0.52 0.00 0.00 34.95 32.50 1xr4 s ARG 502 CO 0.02 0.23 1.18 -1.14 0.02 0.00 0.00 175.30 175.61 1xr4 s GLN 503 N -4.04 4.43 -0.24 3.54 0.74 0.19 -4.74 119.66 119.53 1xr4 s GLN 503 Ca 0.39 1.94 -0.12 0.00 0.05 0.00 0.00 55.36 57.62 1xr4 s GLN 503 Cb -0.09 -3.04 -0.05 0.00 1.10 0.00 0.00 33.01 30.94 1xr4 s GLN 503 CO 0.29 -0.03 0.24 0.08 -0.55 0.00 0.00 175.29 175.32 1xr4 s VAL 504 N -1.21 5.30 -1.81 1.34 1.01 -0.58 -1.19 120.40 123.25 1xr4 s VAL 504 Ca 0.49 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1xr4 s VAL 504 Cb -0.34 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1xr4 s VAL 504 CO 0.44 0.29 0.45 0.29 0.00 0.00 0.00 175.10 176.57