#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr n ARG 3 N 0.00 -5.15 0.00 1.61 3.00 -1.26 -4.46 116.66 110.41 1xnr n ARG 3 Ca 0.00 0.68 0.00 0.00 -0.01 0.00 0.00 57.85 58.52 1xnr n ARG 3 Cb 0.00 -5.54 0.00 0.00 0.00 0.00 0.00 32.46 26.92 1xnr n ARG 3 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1xnr n TYR 4 N -4.50 0.00 -2.40 -1.55 9.36 -1.26 -4.83 117.16 111.98 1xnr n TYR 4 Ca -0.02 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.19 1xnr n TYR 4 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 1xnr n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1xnr n ILE 5 N 0.00 -8.96 -3.39 2.97 5.41 -1.26 -5.09 119.36 109.04 1xnr n ILE 5 Ca 0.00 1.10 0.00 0.00 1.00 0.00 0.00 62.75 64.85 1xnr n ILE 5 Cb 0.00 -6.18 0.00 0.00 -0.71 0.00 0.00 39.64 32.75 1xnr n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xnr n GLY 6 N 0.22 1.16 3.56 7.39 0.00 -1.26 -5.14 105.19 111.12 1xnr n GLY 6 Ca 0.03 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 1xnr n GLY 6 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xnr n PRO 7 N 0.00 0.84 0.00 1.61 -0.04 -1.26 -4.95 135.00 131.20 1xnr n PRO 7 Ca 0.00 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1xnr n PRO 7 Cb 0.00 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1xnr n PRO 7 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1xnr n VAL 8 N -1.47 0.00 -0.35 0.52 0.24 -1.26 -4.72 118.33 111.30 1xnr n VAL 8 Ca 0.12 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.38 1xnr n VAL 8 Cb 0.46 -0.88 -0.06 0.00 -1.47 0.00 0.00 33.84 31.89 1xnr n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xnr n ARG 10 N 2.71 0.23 0.10 0.00 1.85 -1.26 -4.55 116.66 115.74 1xnr n ARG 10 Ca 0.14 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.95 1xnr n ARG 10 Cb 0.32 -0.54 0.06 0.00 -1.05 0.00 0.00 32.46 31.26 1xnr n ARG 10 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1xnr h LEU 11 N 0.00 0.07 0.18 2.89 3.38 -0.67 -1.29 115.31 119.87 1xnr h LEU 11 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xnr h LEU 11 Cb 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xnr h LEU 11 CO 0.00 0.80 -0.17 0.00 0.09 0.00 0.00 178.44 179.16 1xnr h ARG 13 N -0.37 1.25 -0.41 0.00 3.08 -1.74 -1.93 114.38 114.26 1xnr h ARG 13 Ca -0.00 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1xnr h ARG 13 Cb 0.35 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1xnr h ARG 13 CO -0.04 0.84 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.53 1xnr h ARG 14 N 1.28 0.78 0.00 0.04 9.65 -0.98 -2.17 114.38 122.98 1xnr h ARG 14 Ca 0.34 -0.29 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1xnr h ARG 14 Cb -0.12 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.41 1xnr h ARG 14 CO -0.07 0.90 0.00 0.39 2.80 0.00 0.00 179.97 183.99 1xnr n GLU 15 N -4.34 0.61 -0.55 0.20 4.71 -0.59 -4.87 120.64 115.82 1xnr n GLU 15 Ca -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 1xnr n GLU 15 Cb 0.36 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.29 1xnr n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xnr n GLY 16 N 0.82 0.06 3.43 0.62 0.00 -0.74 -4.93 105.19 104.44 1xnr n GLY 16 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1xnr n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnr s VAL 17 N -1.17 2.49 -0.03 1.61 1.01 -1.18 -4.99 120.40 118.14 1xnr s VAL 17 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.01 1xnr s VAL 17 Cb 0.00 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 34.18 1xnr s VAL 17 CO 0.00 0.08 2.01 -0.75 0.00 0.00 0.00 175.10 176.45 1xnr s LYS 18 N -2.12 3.89 0.08 2.72 2.20 -1.26 -4.65 119.74 120.60 1xnr s LYS 18 Ca 0.16 2.43 0.09 0.00 -0.36 0.00 0.00 55.97 58.29 1xnr s LYS 18 Cb -0.10 -4.21 -0.03 0.00 -1.51 0.00 0.00 37.83 31.98 1xnr s LYS 18 CO 0.08 -1.24 -0.23 -0.51 -0.36 0.00 0.00 175.35 173.08 1xnr s LEU 19 N 5.41 2.24 -0.73 5.43 1.43 -1.26 -5.08 118.68 126.11 1xnr s LEU 19 Ca 0.90 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 1xnr s LEU 19 Cb -0.40 -1.06 0.19 0.00 0.03 0.00 0.00 46.19 44.95 1xnr s LEU 19 CO 0.39 0.15 0.65 -0.31 0.23 0.00 0.00 176.35 177.46 1xnr s TYR 20 N -0.96 3.62 -0.04 0.29 4.12 -1.26 -4.74 117.35 118.38 1xnr s TYR 20 Ca 0.09 -2.05 0.00 0.00 0.02 0.00 0.00 57.07 55.13 1xnr s TYR 20 Cb -0.10 -3.67 0.01 0.00 -1.52 0.00 0.00 41.96 36.68 1xnr s TYR 20 CO 0.03 -0.96 0.84 1.28 0.02 0.00 0.00 175.55 176.76 1xnr n LEU 21 N 4.07 1.70 0.00 -1.29 4.77 -1.26 -4.53 117.00 120.46 1xnr n LEU 21 Ca 0.08 -1.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 1xnr n LEU 21 Cb 0.44 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1xnr n LEU 21 CO 0.36 0.42 0.05 0.29 -1.33 0.00 0.00 177.39 177.18 1xnr n LYS 22 N -0.29 -0.10 0.00 3.23 5.02 -1.26 -4.81 118.16 119.94 1xnr n LYS 22 Ca 0.00 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1xnr n LYS 22 Cb 0.17 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 1xnr n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xnr n GLY 23 N 0.01 0.56 3.66 0.72 0.00 -1.26 -4.36 105.19 104.51 1xnr n GLY 23 Ca 0.00 0.71 -0.43 0.00 0.00 0.00 0.00 46.02 46.31 1xnr n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xnr s GLU 24 N 0.00 4.20 0.00 1.61 2.56 -1.26 -2.20 118.70 123.62 1xnr s GLU 24 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 54.97 56.62 1xnr s GLU 24 Cb 0.00 -3.78 0.00 0.00 2.00 0.00 0.00 34.13 32.35 1xnr s GLU 24 CO 0.00 -0.75 0.00 -2.13 -0.56 0.00 0.00 175.26 171.82 1xnr n ARG 25 N 6.69 0.00 -0.27 4.30 0.63 -1.26 -4.88 116.66 121.86 1xnr n ARG 25 Ca 0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1xnr n ARG 25 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 1xnr n ARG 25 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1xnr n TYR 27 N 1.37 0.00 -2.34 0.00 4.02 -1.26 -4.92 117.16 114.03 1xnr n TYR 27 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.64 1xnr n TYR 27 Cb 0.36 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.78 1xnr n TYR 27 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1xnr s SER 28 N 0.00 4.42 0.00 7.72 1.04 0.14 -4.98 113.70 122.04 1xnr s SER 28 Ca 0.00 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1xnr s SER 28 Cb 0.00 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1xnr s SER 28 CO 0.00 -1.83 0.64 -2.65 0.98 0.00 0.00 173.24 170.39 1xnr n PRO 29 N -2.97 0.90 -1.21 4.02 -0.02 -1.26 -3.60 135.00 130.86 1xnr n PRO 29 Ca 0.12 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.62 1xnr n PRO 29 Cb 0.60 -1.28 0.01 0.00 -0.02 0.00 0.00 33.50 32.82 1xnr n PRO 29 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1xnr n LYS 30 N 0.27 0.00 -0.15 -0.52 2.85 -1.26 -4.85 118.16 114.49 1xnr n LYS 30 Ca 0.00 -1.70 -0.00 0.00 -1.05 0.00 0.00 58.31 55.56 1xnr n LYS 30 Cb 0.32 -0.13 0.05 0.00 -0.65 0.00 0.00 35.03 34.62 1xnr n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xnr n ALA 32 N 0.13 0.00 -0.41 0.00 0.00 -1.26 -4.08 120.51 114.89 1xnr n ALA 32 Ca 0.05 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.84 1xnr n ALA 32 Cb 0.46 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.58 1xnr n ALA 32 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1xnr h MET 33 N 0.00 0.13 -5.92 0.00 2.86 -1.90 -1.83 114.93 108.27 1xnr h MET 33 Ca 0.00 -0.01 -0.59 0.00 -2.06 0.00 0.00 59.70 57.04 1xnr h MET 33 Cb 0.00 -0.03 -0.11 0.00 0.06 0.00 0.00 31.60 31.52 1xnr h MET 33 CO 0.00 0.09 1.02 -1.21 1.06 0.00 0.00 176.91 177.87 1xnr s GLU 34 N -5.19 3.32 -0.18 1.72 0.41 -1.26 -3.94 118.70 113.57 1xnr s GLU 34 Ca -0.07 -0.79 -0.01 0.00 -0.41 0.00 0.00 54.97 53.70 1xnr s GLU 34 Cb 0.26 -4.58 0.00 0.00 -1.78 0.00 0.00 34.13 28.04 1xnr s GLU 34 CO 0.82 -2.04 0.01 0.54 -0.49 0.00 0.00 175.26 174.10 1xnr n ARG 35 N 8.52 -2.24 0.00 1.61 1.74 -0.96 -4.60 116.66 120.73 1xnr n ARG 35 Ca 0.11 1.97 0.00 0.00 -0.77 0.00 0.00 57.85 59.16 1xnr n ARG 35 Cb 0.49 -3.70 0.00 0.00 -1.02 0.00 0.00 32.46 28.23 1xnr n ARG 35 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1xnr n ARG 36 N 0.49 0.00 -0.03 5.56 0.63 -0.73 -4.60 116.66 117.99 1xnr n ARG 36 Ca -0.03 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.93 1xnr n ARG 36 Cb 0.04 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.03 1xnr n ARG 36 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1xnr n PRO 37 N 0.00 1.15 -2.84 -0.14 -0.02 -1.24 -4.24 135.00 127.67 1xnr n PRO 37 Ca 0.00 -0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 60.83 1xnr n PRO 37 Cb 0.00 -1.08 -0.04 0.00 -0.02 0.00 0.00 33.50 32.36 1xnr n PRO 37 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1xnr s TYR 38 N -1.92 3.30 0.22 6.00 -0.85 -1.26 -4.81 117.35 118.02 1xnr s TYR 38 Ca 0.07 1.17 -0.08 0.00 -0.52 0.00 0.00 57.07 57.71 1xnr s TYR 38 Cb 0.04 -3.15 -0.07 0.00 0.38 0.00 0.00 41.96 39.16 1xnr s TYR 38 CO 0.05 -0.46 -0.05 -2.30 -1.52 0.00 0.00 175.55 171.28 1xnr n PRO 39 N 6.14 0.00 -0.98 -3.49 -0.02 -1.25 -4.84 135.00 130.56 1xnr n PRO 39 Ca 0.07 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.27 1xnr n PRO 39 Cb 0.47 -0.44 0.21 0.00 -0.02 0.00 0.00 33.50 33.72 1xnr n PRO 39 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xnr s PRO 40 N -0.44 -0.17 0.00 0.52 0.04 -1.26 -3.56 135.00 130.13 1xnr s PRO 40 Ca 0.25 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1xnr s PRO 40 Cb -0.22 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1xnr s PRO 40 CO 0.29 -3.14 0.00 0.41 0.04 0.00 0.00 177.00 174.60 1xnr n GLY 41 N -0.53 -1.78 1.99 0.56 0.00 -1.26 -3.61 105.19 100.56 1xnr n GLY 41 Ca 0.05 -1.53 -0.07 0.00 0.00 0.00 0.00 46.02 44.46 1xnr n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnr n GLN 42 N -1.67 1.35 0.00 1.61 10.64 -1.26 -2.26 117.38 125.79 1xnr n GLN 42 Ca 0.00 -0.58 0.00 0.00 -1.83 0.00 0.00 57.00 54.59 1xnr n GLN 42 Cb 0.00 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 27.68 1xnr n GLN 42 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1xnr n HIS 43 N 2.37 0.00 -0.45 2.61 8.25 -1.26 -4.95 115.22 121.79 1xnr n HIS 43 Ca 0.25 0.00 0.37 0.00 -0.26 0.00 0.00 57.72 58.08 1xnr n HIS 43 Cb 0.63 0.00 0.65 0.00 1.12 0.00 0.00 29.99 32.39 1xnr n HIS 43 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1xnr h GLY 44 N 0.00 1.34 1.21 -1.41 0.00 -1.50 -1.43 103.07 101.28 1xnr h GLY 44 Ca 0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 47.33 46.90 1xnr h GLY 44 CO 0.00 -0.42 -1.55 1.46 0.00 0.00 0.00 176.54 176.03 1xnr h GLN 45 N 0.07 0.34 -6.67 4.80 4.20 -1.85 -3.34 115.11 112.66 1xnr h GLN 45 Ca 0.83 -0.58 -0.57 0.00 0.06 0.00 0.00 58.65 58.39 1xnr h GLN 45 Cb 2.61 0.22 0.17 0.00 0.30 0.00 0.00 27.48 30.78 1xnr h GLN 45 CO -0.43 1.24 -0.23 1.63 -0.67 0.00 0.00 178.83 180.36 1xnr n LYS 46 N -3.54 0.53 -1.15 1.46 5.02 -0.54 -4.90 118.16 115.04 1xnr n LYS 46 Ca -0.18 0.22 -0.34 0.00 -2.02 0.00 0.00 58.31 55.99 1xnr n LYS 46 Cb 1.06 -1.90 0.12 0.00 -0.02 0.00 0.00 35.03 34.30 1xnr n LYS 46 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1xnr n ARG 47 N -0.65 0.24 -4.82 1.97 0.63 -1.26 -5.02 116.66 107.75 1xnr n ARG 47 Ca 0.12 0.15 -0.33 0.00 -0.92 0.00 0.00 57.85 56.87 1xnr n ARG 47 Cb 0.48 -2.39 -0.13 0.00 0.45 0.00 0.00 32.46 30.87 1xnr n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1xnr s ALA 48 N -2.07 2.68 0.60 5.13 0.00 -1.26 -5.11 121.76 121.73 1xnr s ALA 48 Ca 0.73 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 51.59 1xnr s ALA 48 Cb -0.30 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1xnr s ALA 48 CO 0.51 0.44 1.10 1.03 0.00 0.00 0.00 175.76 178.84 1xnr s ARG 49 N -0.34 3.13 -0.13 0.00 0.52 -1.26 -4.93 118.95 115.94 1xnr s ARG 49 Ca 0.03 1.39 -0.29 0.00 -0.52 0.00 0.00 55.73 56.34 1xnr s ARG 49 Cb -0.13 -1.99 -0.06 0.00 0.52 0.00 0.00 34.95 33.29 1xnr s ARG 49 CO 0.02 -0.99 2.00 0.50 0.02 0.00 0.00 175.30 176.86 1xnr s ARG 50 N -3.85 3.62 0.83 3.54 3.00 -1.26 -4.93 118.95 119.90 1xnr s ARG 50 Ca 0.67 2.15 -0.13 0.00 -1.00 0.00 0.00 55.73 57.43 1xnr s ARG 50 Cb -0.20 -4.23 0.07 0.00 0.00 0.00 0.00 34.95 30.59 1xnr s ARG 50 CO 0.36 -1.53 0.99 -2.30 0.00 0.00 0.00 175.30 172.81 1xnr n PRO 51 N 8.10 0.05 -3.02 5.12 -0.02 -1.26 -5.01 135.00 138.96 1xnr n PRO 51 Ca 0.24 0.09 -0.30 0.00 -2.02 0.00 0.00 63.50 61.51 1xnr n PRO 51 Cb 0.44 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 1xnr n PRO 51 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1xnr s SER 52 N -2.08 6.53 0.45 2.55 1.04 -1.26 -4.86 113.70 116.08 1xnr s SER 52 Ca 0.69 1.04 0.32 0.00 0.48 0.00 0.00 55.95 58.48 1xnr s SER 52 Cb -0.28 -2.28 1.46 0.00 0.10 0.00 0.00 66.02 65.02 1xnr s SER 52 CO 0.55 -0.32 1.62 0.44 0.98 0.00 0.00 173.24 176.51 1xnr h ASP 53 N 1.50 0.21 0.42 7.02 5.19 -2.00 0.35 116.42 129.11 1xnr h ASP 53 Ca -0.47 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.04 1xnr h ASP 53 Cb 1.19 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1xnr h ASP 53 CO 0.65 -0.17 -0.20 0.22 -3.12 0.00 0.00 179.24 176.62 1xnr h TYR 54 N 0.07 -0.52 -0.76 4.55 3.20 -1.99 -2.54 116.97 118.99 1xnr h TYR 54 Ca 0.83 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.79 1xnr h TYR 54 Cb 2.69 0.17 -0.11 0.00 1.54 0.00 0.00 36.73 41.02 1xnr h TYR 54 CO -0.00 -0.32 -0.34 0.00 -1.64 0.00 0.00 178.16 175.85 1xnr n ALA 55 N -2.52 -0.20 0.13 1.82 0.00 0.11 0.81 120.51 120.66 1xnr n ALA 55 Ca -0.07 0.73 -0.14 0.00 0.00 0.00 0.00 53.44 53.96 1xnr n ALA 55 Cb 0.22 -0.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 1xnr n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xnr h VAL 56 N 0.00 0.00 -0.64 0.00 2.07 -1.26 -0.76 116.25 115.66 1xnr h VAL 56 Ca 0.23 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.88 1xnr h VAL 56 Cb 0.41 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 1xnr h VAL 56 CO -0.74 0.00 0.44 -0.09 0.02 0.00 0.00 177.57 177.19 1xnr h ARG 57 N -0.67 0.28 0.00 1.57 9.65 0.12 -0.99 114.38 124.34 1xnr h ARG 57 Ca -0.02 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1xnr h ARG 57 Cb 0.65 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 1xnr h ARG 57 CO -0.20 0.19 0.00 -0.11 2.80 0.00 0.00 179.97 182.65 1xnr n LEU 58 N -4.45 0.18 0.01 3.80 0.00 0.24 -2.92 117.00 113.86 1xnr n LEU 58 Ca 0.12 0.75 0.21 0.00 0.00 0.00 0.00 56.01 57.09 1xnr n LEU 58 Cb 0.50 -0.37 0.57 0.00 0.00 0.00 0.00 43.42 44.12 1xnr n LEU 58 CO 0.34 -0.37 1.19 0.03 0.00 0.00 0.00 177.39 178.59 1xnr h ARG 59 N 0.00 0.00 -0.08 1.96 2.47 -0.94 0.16 114.38 117.94 1xnr h ARG 59 Ca 0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 1xnr h ARG 59 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1xnr h ARG 59 CO 0.00 0.00 -0.16 1.49 0.56 0.00 0.00 179.97 181.86 1xnr h GLU 60 N 0.00 0.26 -0.01 0.04 4.57 -1.15 -0.99 114.58 117.30 1xnr h GLU 60 Ca 0.28 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1xnr h GLU 60 Cb 1.88 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.49 1xnr h GLU 60 CO -0.00 0.76 0.00 -0.22 -1.18 0.00 0.00 179.01 178.36 1xnr h LYS 61 N -0.21 0.01 -0.41 1.92 3.11 -0.61 -2.04 116.57 118.36 1xnr h LYS 61 Ca 0.00 -0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.92 1xnr h LYS 61 Cb 0.75 -0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 31.88 1xnr h LYS 61 CO 0.04 0.24 -0.29 1.96 -2.81 0.00 0.00 179.45 178.59 1xnr h GLN 62 N -0.22 -0.20 0.00 1.90 1.08 -1.31 0.33 115.11 116.69 1xnr h GLN 62 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1xnr h GLN 62 Cb 0.23 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1xnr h GLN 62 CO 0.00 -0.14 0.00 1.17 -0.95 0.00 0.00 178.83 178.91 1xnr n LYS 63 N -5.41 0.00 -0.30 1.46 4.81 -0.38 0.57 118.16 118.91 1xnr n LYS 63 Ca 0.02 0.60 0.12 0.00 -0.87 0.00 0.00 58.31 58.18 1xnr n LYS 63 Cb 0.33 -1.28 0.28 0.00 0.02 0.00 0.00 35.03 34.38 1xnr n LYS 63 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1xnr h LEU 64 N 0.00 -0.08 -0.58 3.14 7.12 -0.97 0.16 115.31 124.11 1xnr h LEU 64 Ca 0.00 0.21 -0.15 0.00 0.13 0.00 0.00 57.88 58.06 1xnr h LEU 64 Cb 0.00 0.30 -0.02 0.00 -0.53 0.00 0.00 40.66 40.41 1xnr h LEU 64 CO 0.00 -0.18 -0.69 -0.09 -0.13 0.00 0.00 178.44 177.35 1xnr h ARG 65 N 0.17 0.12 0.00 1.25 2.43 -0.05 -2.78 114.38 115.52 1xnr h ARG 65 Ca 0.54 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1xnr h ARG 65 Cb 1.09 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1xnr h ARG 65 CO -0.68 0.76 0.00 0.00 -1.51 0.00 0.00 179.97 178.54 1xnr h ARG 66 N 0.08 0.00 -0.26 0.20 3.08 0.29 -2.56 114.38 115.21 1xnr h ARG 66 Ca -0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 1xnr h ARG 66 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 1xnr h ARG 66 CO 0.10 0.00 -0.37 0.82 -1.07 0.00 0.00 179.97 179.45 1xnr h ILE 67 N 0.00 1.31 -0.22 2.04 2.04 -0.86 -3.17 117.51 118.65 1xnr h ILE 67 Ca 0.00 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1xnr h ILE 67 Cb 0.49 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1xnr h ILE 67 CO 0.00 0.50 0.00 -1.22 0.00 0.00 0.00 178.15 177.43 1xnr n TYR 68 N -4.21 0.28 -3.22 1.37 4.02 -1.05 -4.96 117.16 109.38 1xnr n TYR 68 Ca -0.05 -0.14 -0.23 0.00 -0.01 0.00 0.00 57.90 57.48 1xnr n TYR 68 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.86 1xnr n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xnr n GLY 69 N 1.22 -0.65 3.04 2.72 0.00 -0.99 -5.00 105.19 105.52 1xnr n GLY 69 Ca 0.17 1.13 -0.11 0.00 0.00 0.00 0.00 46.02 47.21 1xnr n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xnr s ILE 70 N -2.15 0.07 0.33 -0.61 1.01 -1.20 -5.01 121.20 113.63 1xnr s ILE 70 Ca 0.28 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 60.04 1xnr s ILE 70 Cb -0.05 -0.32 -0.10 0.00 0.01 0.00 0.00 42.46 42.01 1xnr s ILE 70 CO 0.82 -0.33 1.17 -0.94 0.00 0.00 0.00 174.94 175.66 1xnr s SER 71 N -1.09 6.95 0.37 3.58 1.04 -1.26 -4.84 113.70 118.45 1xnr s SER 71 Ca -0.12 2.40 0.12 0.00 0.48 0.00 0.00 55.95 58.82 1xnr s SER 71 Cb -0.07 -2.63 0.90 0.00 0.10 0.00 0.00 66.02 64.33 1xnr s SER 71 CO 0.00 -0.38 1.83 -0.08 0.98 0.00 0.00 173.24 175.60 1xnr h GLU 72 N 3.38 0.58 0.19 4.02 4.57 -1.99 0.32 114.58 125.66 1xnr h GLU 72 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1xnr h GLU 72 Cb 1.22 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.64 1xnr h GLU 72 CO 0.65 0.38 -0.46 -0.09 -1.18 0.00 0.00 179.01 178.32 1xnr h ARG 73 N 0.60 -0.69 0.04 1.92 9.65 -1.99 0.73 114.38 124.64 1xnr h ARG 73 Ca 0.50 0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.42 1xnr h ARG 73 Cb 0.97 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 1xnr h ARG 73 CO -0.24 -0.46 -0.02 1.96 2.80 0.00 0.00 179.97 184.00 1xnr h GLN 74 N -0.72 -0.06 -0.33 0.20 4.20 -1.58 -1.87 115.11 114.95 1xnr h GLN 74 Ca -0.02 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.74 1xnr h GLN 74 Cb 0.69 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.41 1xnr h GLN 74 CO -0.20 0.23 -0.55 0.35 -0.67 0.00 0.00 178.83 177.99 1xnr h PHE 75 N -0.34 -1.66 -0.43 2.96 3.57 -0.33 0.21 116.94 120.92 1xnr h PHE 75 Ca -0.01 0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.66 1xnr h PHE 75 Cb 0.31 0.77 -0.09 0.00 2.79 0.00 0.00 35.95 39.73 1xnr h PHE 75 CO 0.02 -0.50 -0.18 -0.09 -2.23 0.00 0.00 178.31 175.33 1xnr h ARG 76 N -0.44 -0.09 -0.52 1.11 9.65 0.50 -0.14 114.38 124.45 1xnr h ARG 76 Ca 0.06 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.03 1xnr h ARG 76 Cb 0.61 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.15 1xnr h ARG 76 CO -0.54 -0.06 0.14 -0.91 2.80 0.00 0.00 179.97 181.39 1xnr h ASN 77 N -0.10 0.07 -0.87 -3.80 2.35 -0.31 -0.49 115.58 112.43 1xnr h ASN 77 Ca 0.21 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 56.07 1xnr h ASN 77 Cb 0.42 0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.83 1xnr h ASN 77 CO -0.49 0.07 0.57 -0.07 -1.65 0.00 0.00 177.43 175.85 1xnr h LEU 78 N 0.29 0.95 0.58 1.61 3.38 0.94 0.10 115.31 123.16 1xnr h LEU 78 Ca 0.26 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1xnr h LEU 78 Cb 0.33 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xnr h LEU 78 CO -0.31 0.66 -0.30 0.15 0.09 0.00 0.00 178.44 178.74 1xnr h PHE 79 N 1.11 -0.77 -0.74 1.13 3.57 0.04 -0.46 116.94 120.82 1xnr h PHE 79 Ca 0.34 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.97 1xnr h PHE 79 Cb -0.02 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 1xnr h PHE 79 CO -0.02 -0.47 0.50 0.93 -2.23 0.00 0.00 178.31 177.02 1xnr h GLU 80 N -0.81 0.40 -0.24 1.11 4.39 -0.74 0.15 114.58 118.84 1xnr h GLU 80 Ca -0.08 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 1xnr h GLU 80 Cb 0.63 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1xnr h GLU 80 CO 0.12 0.27 -0.03 1.49 -1.16 0.00 0.00 179.01 179.70 1xnr h GLU 81 N 0.41 0.45 -0.25 2.33 4.81 -0.43 -2.40 114.58 119.51 1xnr h GLU 81 Ca 0.36 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1xnr h GLU 81 Cb 0.82 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1xnr h GLU 81 CO -0.11 0.65 -0.13 0.00 -0.73 0.00 0.00 179.01 178.68 1xnr h ALA 82 N 0.78 1.32 0.51 2.92 0.00 0.79 0.11 119.26 125.70 1xnr h ALA 82 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1xnr h ALA 82 Cb 0.47 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xnr h ALA 82 CO 0.02 0.46 -0.25 0.77 0.00 0.00 0.00 179.25 180.25 1xnr h SER 83 N 0.38 -0.58 -0.27 0.00 0.02 -0.66 -2.88 113.55 109.57 1xnr h SER 83 Ca 0.07 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1xnr h SER 83 Cb 0.47 0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.10 1xnr h SER 83 CO 0.03 -0.39 -0.08 0.11 -1.14 0.00 0.00 176.83 175.35 1xnr h LYS 84 N -0.72 -0.03 -6.53 3.45 1.57 -1.14 -3.42 116.57 109.75 1xnr h LYS 84 Ca -0.07 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.11 1xnr h LYS 84 Cb 0.54 0.01 0.10 0.00 0.08 0.00 0.00 32.23 32.96 1xnr h LYS 84 CO 0.12 -0.02 0.34 1.17 -0.57 0.00 0.00 179.45 180.49 1xnr n LYS 85 N -5.25 1.63 -1.23 3.15 3.00 0.37 -4.93 118.16 114.90 1xnr n LYS 85 Ca -0.01 0.58 -0.33 0.00 -0.00 0.00 0.00 58.31 58.55 1xnr n LYS 85 Cb 0.17 -2.08 0.11 0.00 0.00 0.00 0.00 35.03 33.24 1xnr n LYS 85 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1xnr s LYS 86 N -1.15 1.88 0.00 1.64 1.02 -1.26 -4.81 119.74 117.06 1xnr s LYS 86 Ca 0.63 1.61 0.00 0.00 0.02 0.00 0.00 55.97 58.23 1xnr s LYS 86 Cb -0.69 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1xnr s LYS 86 CO 0.57 -2.00 0.00 0.41 -0.92 0.00 0.00 175.35 173.41 1xnr n GLY 87 N 0.10 0.95 3.57 -3.33 0.00 -1.26 -4.89 105.19 100.33 1xnr n GLY 87 Ca 0.12 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 1xnr n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnr s VAL 88 N -1.47 3.26 0.34 1.61 1.01 -1.26 -4.84 120.40 119.05 1xnr s VAL 88 Ca 0.00 0.20 0.14 0.00 0.00 0.00 0.00 61.98 62.32 1xnr s VAL 88 Cb 0.00 -3.52 0.35 0.00 0.00 0.00 0.00 36.38 33.21 1xnr s VAL 88 CO 0.00 -0.45 1.61 0.74 0.00 0.00 0.00 175.10 177.00 1xnr h THR 89 N 7.11 0.12 -0.17 3.92 2.02 -1.87 0.10 112.91 124.15 1xnr h THR 89 Ca -0.29 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 66.90 1xnr h THR 89 Cb 1.20 -0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 1xnr h THR 89 CO 1.13 0.02 -0.15 1.23 0.37 0.00 0.00 175.52 178.12 1xnr h GLY 90 N 0.12 -0.03 0.47 2.16 0.00 -1.93 -1.75 103.07 102.10 1xnr h GLY 90 Ca 0.74 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 48.23 1xnr h GLY 90 CO -0.74 -0.15 -0.22 1.48 0.00 0.00 0.00 176.54 176.91 1xnr h SER 91 N -0.16 -0.53 -0.90 0.19 4.64 -1.38 -3.07 113.55 112.33 1xnr h SER 91 Ca 0.11 0.02 0.25 0.00 -0.47 0.00 0.00 61.79 61.69 1xnr h SER 91 Cb 0.32 0.14 -0.17 0.00 -0.31 0.00 0.00 62.40 62.38 1xnr h SER 91 CO -0.27 -0.27 0.01 0.52 -0.87 0.00 0.00 176.83 175.95 1xnr n VAL 92 N -4.29 -0.38 -0.10 0.95 0.31 -0.96 0.13 118.33 113.99 1xnr n VAL 92 Ca -0.08 1.98 -0.05 0.00 -0.01 0.00 0.00 64.34 66.18 1xnr n VAL 92 Cb 0.25 -2.89 0.02 0.00 -0.91 0.00 0.00 33.84 30.31 1xnr n VAL 92 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1xnr h PHE 93 N 0.00 0.02 -0.42 3.52 -0.00 -1.31 0.46 116.94 119.21 1xnr h PHE 93 Ca 0.54 0.03 -0.05 0.00 -0.00 0.00 0.00 57.97 58.48 1xnr h PHE 93 Cb 1.11 0.04 -0.02 0.00 -0.00 0.00 0.00 35.95 37.09 1xnr h PHE 93 CO -0.46 -0.04 0.05 -0.07 -0.00 0.00 0.00 178.31 177.78 1xnr h LEU 94 N 0.13 0.69 -0.25 0.59 3.38 0.12 -0.77 115.31 119.19 1xnr h LEU 94 Ca 0.18 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.93 1xnr h LEU 94 Cb 0.23 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1xnr h LEU 94 CO -0.27 0.79 -0.18 1.23 0.09 0.00 0.00 178.44 180.10 1xnr h GLY 95 N 0.56 -0.02 0.88 0.83 0.00 -0.18 0.11 103.07 105.26 1xnr h GLY 95 Ca 0.13 0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.71 1xnr h GLY 95 CO 0.01 -0.18 0.39 1.41 0.00 0.00 0.00 176.54 178.18 1xnr h LEU 96 N -0.17 0.64 -0.69 3.11 4.07 -0.79 0.66 115.31 122.15 1xnr h LEU 96 Ca 0.14 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.15 1xnr h LEU 96 Cb 0.38 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 1xnr h LEU 96 CO -0.36 0.45 0.41 -0.07 -1.08 0.00 0.00 178.44 177.79 1xnr h LEU 97 N 0.77 0.64 -0.36 1.67 3.38 -0.12 -2.59 115.31 118.70 1xnr h LEU 97 Ca 0.25 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1xnr h LEU 97 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1xnr h LEU 97 CO -0.10 0.42 0.11 -0.08 0.09 0.00 0.00 178.44 178.88 1xnr h GLU 98 N 0.77 0.56 0.00 1.13 4.57 0.32 -2.99 114.58 118.94 1xnr h GLU 98 Ca 0.29 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1xnr h GLU 98 Cb 0.11 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1xnr h GLU 98 CO -0.15 0.58 0.09 0.43 -1.18 0.00 0.00 179.01 178.78 1xnr n SER 99 N -4.64 0.00 -4.73 1.04 7.64 0.11 -4.05 113.62 108.99 1xnr n SER 99 Ca -0.01 0.41 -0.42 0.00 1.01 0.00 0.00 58.87 59.86 1xnr n SER 99 Cb 0.18 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 1xnr n SER 99 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xnr n ARG 100 N -1.41 2.73 -0.13 1.43 1.74 -1.13 -0.98 116.66 118.91 1xnr n ARG 100 Ca 0.00 0.98 -0.06 0.00 -0.77 0.00 0.00 57.85 58.00 1xnr n ARG 100 Cb 0.09 -2.80 0.03 0.00 -1.02 0.00 0.00 32.46 28.76 1xnr n ARG 100 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1xnr h LEU 101 N 6.02 0.27 -1.99 0.55 5.85 -0.09 0.42 115.31 126.35 1xnr h LEU 101 Ca -0.45 0.03 0.25 0.00 0.84 0.00 0.00 57.88 58.55 1xnr h LEU 101 Cb 1.21 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1xnr h LEU 101 CO 0.90 0.20 0.62 -2.24 -0.34 0.00 0.00 178.44 177.58 1xnr h ASP 102 N 0.40 0.01 0.21 1.25 -0.00 -1.64 -0.11 116.42 116.54 1xnr h ASP 102 Ca 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.21 1xnr h ASP 102 Cb 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.44 1xnr h ASP 102 CO -0.14 0.00 -0.10 -1.13 -0.00 0.00 0.00 179.24 177.86 1xnr h ASN 103 N 0.01 -0.24 -0.95 4.15 -1.24 -1.20 -3.03 115.58 113.07 1xnr h ASN 103 Ca 0.41 0.01 0.30 0.00 0.71 0.00 0.00 56.30 57.73 1xnr h ASN 103 Cb 1.65 0.06 -0.16 0.00 0.73 0.00 0.00 38.32 40.61 1xnr h ASN 103 CO -0.01 0.05 0.37 0.58 -1.29 0.00 0.00 177.43 177.13 1xnr h VAL 104 N -0.73 0.22 -0.95 2.57 2.07 -0.79 1.52 116.25 120.16 1xnr h VAL 104 Ca -0.03 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.52 1xnr h VAL 104 Cb 0.22 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 29.93 1xnr h VAL 104 CO 0.05 0.04 0.59 0.58 0.02 0.00 0.00 177.57 178.85 1xnr h VAL 105 N 0.19 0.96 0.05 2.57 2.07 -1.09 -1.69 116.25 119.33 1xnr h VAL 105 Ca 0.67 -0.34 -0.25 0.00 0.82 0.00 0.00 66.70 67.60 1xnr h VAL 105 Cb 1.49 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1xnr h VAL 105 CO -0.69 0.18 -1.18 0.22 0.02 0.00 0.00 177.57 176.12 1xnr h TYR 106 N 0.99 0.21 -0.05 1.57 3.20 0.19 -2.92 116.97 120.17 1xnr h TYR 106 Ca 0.45 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 62.18 1xnr h TYR 106 Cb 0.36 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 1xnr h TYR 106 CO -0.02 1.13 0.07 0.00 -1.64 0.00 0.00 178.16 177.70 1xnr h ARG 107 N 0.03 0.00 -0.53 1.82 2.47 0.10 0.15 114.38 118.42 1xnr h ARG 107 Ca -0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1xnr h ARG 107 Cb 1.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.20 1xnr h ARG 107 CO 0.15 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.96 1xnr n LEU 108 N -3.67 5.15 -0.04 3.04 4.77 -0.73 -4.77 117.00 120.74 1xnr n LEU 108 Ca -0.02 -2.83 -0.00 0.00 -0.03 0.00 0.00 56.01 53.13 1xnr n LEU 108 Cb 0.16 -0.63 -0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1xnr n LEU 108 CO 0.26 0.68 -0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1xnr n GLY 109 N 0.52 0.04 0.39 -0.72 0.00 0.51 -4.72 105.19 101.20 1xnr n GLY 109 Ca 0.26 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.45 1xnr n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xnr h PHE 110 N 0.00 0.48 -4.01 1.61 -1.00 -1.76 -3.39 116.94 108.87 1xnr h PHE 110 Ca -0.01 0.01 -0.60 0.00 2.81 0.00 0.00 57.97 60.18 1xnr h PHE 110 Cb 0.65 -0.15 -0.23 0.00 3.61 0.00 0.00 35.95 39.83 1xnr h PHE 110 CO 0.41 0.17 -0.84 0.00 -1.61 0.00 0.00 178.31 176.43 1xnr s ALA 111 N -5.40 1.95 -0.60 2.45 0.00 -1.25 -4.56 121.76 114.35 1xnr s ALA 111 Ca -0.08 -1.25 0.25 0.00 0.00 0.00 0.00 51.96 50.88 1xnr s ALA 111 Cb 0.21 -0.32 0.55 0.00 0.00 0.00 0.00 23.12 23.57 1xnr s ALA 111 CO 0.77 0.42 1.61 -0.39 0.00 0.00 0.00 175.76 178.17 1xnr h VAL 112 N 4.11 0.00 -3.97 0.00 -1.51 -1.92 -3.43 116.25 109.53 1xnr h VAL 112 Ca -0.46 -0.66 -0.15 0.00 -1.23 0.00 0.00 66.70 64.19 1xnr h VAL 112 Cb 1.17 1.57 -0.19 0.00 -2.13 0.00 0.00 31.29 31.70 1xnr h VAL 112 CO 0.41 0.00 -0.65 -0.94 -1.23 0.00 0.00 177.57 175.16 1xnr s SER 113 N -5.02 0.27 0.26 4.19 1.04 -1.26 -4.06 113.70 109.13 1xnr s SER 113 Ca 0.08 -0.59 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 1xnr s SER 113 Cb 0.10 0.15 0.40 0.00 0.10 0.00 0.00 66.02 66.77 1xnr s SER 113 CO 0.65 -0.41 1.88 0.03 0.98 0.00 0.00 173.24 176.37 1xnr h ARG 114 N 4.13 1.13 0.71 4.02 3.08 -1.90 0.49 114.38 126.05 1xnr h ARG 114 Ca -0.32 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 1xnr h ARG 114 Cb 1.19 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1xnr h ARG 114 CO 0.48 0.75 -0.48 0.00 -1.07 0.00 0.00 179.97 179.65 1xnr h ARG 115 N 1.17 -1.08 -0.81 0.04 3.08 -1.94 -0.52 114.38 114.31 1xnr h ARG 115 Ca 0.43 0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.70 1xnr h ARG 115 Cb 0.16 0.25 -0.10 0.00 0.08 0.00 0.00 29.97 30.36 1xnr h ARG 115 CO -0.17 -0.72 0.37 0.37 -1.07 0.00 0.00 179.97 178.75 1xnr h GLN 116 N -1.12 0.50 -0.99 0.04 4.15 -1.72 0.24 115.11 116.21 1xnr h GLN 116 Ca -0.09 -0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.40 1xnr h GLN 116 Cb 0.91 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.41 1xnr h GLN 116 CO 0.07 0.33 0.62 0.00 -1.93 0.00 0.00 178.83 177.92 1xnr h ALA 117 N 1.57 1.46 0.45 3.38 0.00 0.38 -1.54 119.26 124.97 1xnr h ALA 117 Ca 0.45 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1xnr h ALA 117 Cb 0.68 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xnr h ALA 117 CO -0.40 0.25 -0.35 -0.09 0.00 0.00 0.00 179.25 178.66 1xnr h ARG 118 N 1.01 -0.77 -0.51 0.00 2.43 0.11 -2.12 114.38 114.53 1xnr h ARG 118 Ca 0.48 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.76 1xnr h ARG 118 Cb 0.42 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1xnr h ARG 118 CO -0.25 -0.51 0.34 0.37 -1.51 0.00 0.00 179.97 178.41 1xnr h GLN 119 N -0.80 0.45 -0.15 0.20 4.15 -1.16 0.07 115.11 117.88 1xnr h GLN 119 Ca -0.04 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 1xnr h GLN 119 Cb 0.68 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1xnr h GLN 119 CO -0.00 0.30 -0.21 -0.07 -1.93 0.00 0.00 178.83 176.91 1xnr h LEU 120 N 0.46 0.25 0.25 -2.39 3.38 -0.85 -1.84 115.31 114.57 1xnr h LEU 120 Ca 0.22 -0.07 -0.34 0.00 0.09 0.00 0.00 57.88 57.78 1xnr h LEU 120 Cb 0.29 -0.07 0.03 0.00 0.09 0.00 0.00 40.66 41.01 1xnr h LEU 120 CO -0.06 0.48 -1.53 0.58 0.09 0.00 0.00 178.44 178.00 1xnr h VAL 121 N 0.24 1.22 0.00 1.22 2.07 -0.39 -1.87 116.25 118.74 1xnr h VAL 121 Ca 0.04 -2.67 0.00 0.00 0.82 0.00 0.00 66.70 64.89 1xnr h VAL 121 Cb 0.52 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1xnr h VAL 121 CO 0.03 0.82 0.00 0.54 0.02 0.00 0.00 177.57 178.99 1xnr n ARG 122 N -3.69 0.00 -0.46 1.57 5.12 -0.39 -1.98 116.66 116.83 1xnr n ARG 122 Ca -0.18 0.23 0.08 0.00 -1.93 0.00 0.00 57.85 56.04 1xnr n ARG 122 Cb 1.10 -1.51 0.26 0.00 -1.16 0.00 0.00 32.46 31.16 1xnr n ARG 122 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1xnr n HIS 123 N -1.51 1.02 -0.94 -1.55 8.25 -0.70 -4.96 115.22 114.83 1xnr n HIS 123 Ca 0.04 -0.80 0.00 0.00 -0.26 0.00 0.00 57.72 56.70 1xnr n HIS 123 Cb 0.19 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.01 1xnr n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xnr n GLY 124 N -0.20 0.10 0.00 -1.41 0.00 -0.84 -4.83 105.19 98.01 1xnr n GLY 124 Ca 0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.30 1xnr n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xnr n HIS 125 N -2.15 0.00 -4.40 1.61 8.25 -0.70 -4.55 115.22 113.29 1xnr n HIS 125 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1xnr n HIS 125 Cb 0.35 -0.19 -0.09 0.00 1.12 0.00 0.00 29.99 31.18 1xnr n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xnr s ILE 126 N -2.39 2.45 -0.22 1.59 -1.09 -1.24 -0.56 121.20 119.74 1xnr s ILE 126 Ca 0.16 -2.01 -0.13 0.00 -2.23 0.00 0.00 60.65 56.45 1xnr s ILE 126 Cb 0.10 -2.79 0.07 0.00 -1.58 0.00 0.00 42.46 38.25 1xnr s ILE 126 CO 0.20 -0.17 0.53 0.28 -1.23 0.00 0.00 174.94 174.56 1xnr s THR 127 N -2.57 -0.01 -0.26 2.92 -1.32 -1.25 -3.68 115.64 109.47 1xnr s THR 127 Ca 0.35 0.05 -0.08 0.00 -1.21 0.00 0.00 61.69 60.80 1xnr s THR 127 Cb 0.02 -0.78 -0.03 0.00 -1.51 0.00 0.00 72.50 70.20 1xnr s THR 127 CO 0.19 0.02 0.09 -0.69 -2.21 0.00 0.00 174.62 172.02 1xnr s VAL 128 N 1.41 4.47 -1.09 5.08 1.01 -0.98 0.38 120.40 130.68 1xnr s VAL 128 Ca -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1xnr s VAL 128 Cb -0.07 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.21 1xnr s VAL 128 CO -0.15 0.30 0.13 0.59 0.00 0.00 0.00 175.10 175.97 1xnr n ASN 129 N 4.95 -3.87 0.00 3.32 3.02 0.44 -2.90 115.26 120.22 1xnr n ASN 129 Ca -0.16 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1xnr n ASN 129 Cb 0.51 -3.26 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 1xnr n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xnr n GLY 130 N -0.90 2.29 3.65 7.41 0.00 -1.26 -5.02 105.19 111.36 1xnr n GLY 130 Ca -0.11 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 1xnr n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xnr n ARG 131 N 0.00 1.77 -1.64 1.61 1.74 -1.14 -4.88 116.66 114.12 1xnr n ARG 131 Ca 0.00 0.62 -0.32 0.00 -0.77 0.00 0.00 57.85 57.38 1xnr n ARG 131 Cb 0.00 -2.11 0.05 0.00 -1.02 0.00 0.00 32.46 29.38 1xnr n ARG 131 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xnr s ARG 132 N -1.69 2.86 -0.18 5.56 3.52 -1.26 -2.32 118.95 125.43 1xnr s ARG 132 Ca 0.57 1.13 -0.06 0.00 -0.13 0.00 0.00 55.73 57.24 1xnr s ARG 132 Cb -0.63 -1.97 0.09 0.00 -1.56 0.00 0.00 34.95 30.87 1xnr s ARG 132 CO 0.61 -1.17 0.38 0.08 -0.81 0.00 0.00 175.30 174.38 1xnr s VAL 133 N -2.76 -0.59 -0.33 7.11 1.01 -1.24 -4.83 120.40 118.77 1xnr s VAL 133 Ca 0.61 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.86 1xnr s VAL 133 Cb -0.16 -0.62 0.54 0.00 0.00 0.00 0.00 36.38 36.14 1xnr s VAL 133 CO 0.49 0.07 1.56 -0.90 0.00 0.00 0.00 175.10 176.32 1xnr n ASP 134 N 5.38 2.73 -4.17 3.32 5.68 -1.24 -4.69 116.55 123.56 1xnr n ASP 134 Ca -0.08 -3.75 -0.40 0.00 -0.50 0.00 0.00 54.79 50.06 1xnr n ASP 134 Cb 0.49 -0.68 -0.07 0.00 -1.14 0.00 0.00 41.12 39.72 1xnr n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1xnr s LEU 135 N -3.26 5.70 0.56 -2.12 1.43 -1.26 -4.30 118.68 115.42 1xnr s LEU 135 Ca 0.47 -2.72 0.34 0.00 -1.03 0.00 0.00 54.13 51.20 1xnr s LEU 135 Cb 0.42 -1.96 1.49 0.00 0.03 0.00 0.00 46.19 46.17 1xnr s LEU 135 CO 0.02 -0.45 1.78 -0.65 0.23 0.00 0.00 176.35 177.27 1xnr h PRO 136 N 7.37 0.00 -0.27 1.29 0.11 -1.89 1.54 132.00 140.15 1xnr h PRO 136 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1xnr h PRO 136 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1xnr h PRO 136 CO 0.74 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.40 1xnr n SER 137 N -4.01 2.48 -4.75 -2.05 3.41 -1.26 -1.90 113.62 105.54 1xnr n SER 137 Ca 0.22 -1.85 -0.42 0.00 -0.26 0.00 0.00 58.87 56.56 1xnr n SER 137 Cb 1.16 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.94 1xnr n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnr n TYR 138 N 0.86 2.81 -3.26 7.33 9.36 0.53 -4.68 117.16 130.10 1xnr n TYR 138 Ca 0.17 0.41 -0.45 0.00 3.32 0.00 0.00 57.90 61.35 1xnr n TYR 138 Cb 0.45 -2.53 -0.05 0.00 -0.63 0.00 0.00 39.34 36.58 1xnr n TYR 138 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1xnr s ARG 139 N -1.57 3.01 0.31 2.98 3.52 -1.26 0.43 118.95 126.38 1xnr s ARG 139 Ca 0.57 -1.46 -0.30 0.00 -0.13 0.00 0.00 55.73 54.41 1xnr s ARG 139 Cb -0.50 -4.24 -0.12 0.00 -1.56 0.00 0.00 34.95 28.53 1xnr s ARG 139 CO 0.59 -1.32 1.54 0.28 -0.81 0.00 0.00 175.30 175.58 1xnr n VAL 140 N 5.36 1.30 -3.78 7.11 0.31 -0.15 -4.97 118.33 123.50 1xnr n VAL 140 Ca -0.12 -0.32 -0.22 0.00 -0.01 0.00 0.00 64.34 63.67 1xnr n VAL 140 Cb 0.42 -1.91 -0.05 0.00 -0.91 0.00 0.00 33.84 31.39 1xnr n VAL 140 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1xnr s ARG 141 N -0.95 2.45 -0.36 5.55 0.52 -1.26 -4.84 118.95 120.07 1xnr s ARG 141 Ca 0.61 -1.60 -0.29 0.00 -0.52 0.00 0.00 55.73 53.94 1xnr s ARG 141 Cb -0.51 -2.26 -0.00 0.00 0.52 0.00 0.00 34.95 32.70 1xnr s ARG 141 CO 0.53 -0.12 1.50 -2.14 0.02 0.00 0.00 175.30 175.09 1xnr s PRO 142 N -4.03 3.58 0.00 3.54 0.02 -1.26 -3.18 135.00 133.67 1xnr s PRO 142 Ca 0.45 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.61 1xnr s PRO 142 Cb -0.01 -4.05 0.00 0.00 0.02 0.00 0.00 34.50 30.46 1xnr s PRO 142 CO 0.26 -1.55 0.00 0.41 -0.33 0.00 0.00 177.00 175.79 1xnr n GLY 143 N 5.03 3.52 3.73 0.52 0.00 0.07 -5.02 105.19 113.04 1xnr n GLY 143 Ca 0.18 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1xnr n GLY 143 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xnr n ASP 144 N 0.00 2.48 -4.59 1.61 8.00 -1.19 -4.69 116.55 118.17 1xnr n ASP 144 Ca 0.00 0.95 -0.34 0.00 0.71 0.00 0.00 54.79 56.11 1xnr n ASP 144 Cb 0.00 -1.56 -0.11 0.00 -0.02 0.00 0.00 41.12 39.43 1xnr n ASP 144 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xnr s GLU 145 N -2.91 3.52 -0.59 -1.24 2.02 -1.26 -1.68 118.70 116.56 1xnr s GLU 145 Ca 0.73 -0.44 -0.07 0.00 0.02 0.00 0.00 54.97 55.21 1xnr s GLU 145 Cb -0.42 -2.95 0.15 0.00 0.10 0.00 0.00 34.13 31.02 1xnr s GLU 145 CO 0.48 0.40 0.44 0.42 0.02 0.00 0.00 175.26 177.02 1xnr s ILE 146 N -0.05 4.12 0.00 -1.63 1.09 -0.86 -0.42 121.20 123.45 1xnr s ILE 146 Ca 0.03 -2.43 0.00 0.00 -1.10 0.00 0.00 60.65 57.15 1xnr s ILE 146 Cb -0.13 -3.68 0.00 0.00 -1.06 0.00 0.00 42.46 37.59 1xnr s ILE 146 CO 0.02 -0.85 0.00 0.00 -0.10 0.00 0.00 174.94 174.01 1xnr n ALA 147 N 4.11 0.00 -3.72 9.38 0.00 0.16 -2.90 120.51 127.54 1xnr n ALA 147 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1xnr n ALA 147 Cb 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.72 1xnr n ALA 147 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xnr s VAL 148 N 0.49 -0.09 -0.23 0.00 1.01 -1.22 -3.84 120.40 116.51 1xnr s VAL 148 Ca 0.00 0.18 -0.42 0.00 0.00 0.00 0.00 61.98 61.74 1xnr s VAL 148 Cb 0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 36.38 35.84 1xnr s VAL 148 CO 0.00 0.07 1.45 0.00 0.00 0.00 0.00 175.10 176.63 1xnr n ALA 149 N 4.40 -1.66 -0.14 5.51 0.00 0.28 -4.66 120.51 124.24 1xnr n ALA 149 Ca -0.23 0.50 -0.04 0.00 0.00 0.00 0.00 53.44 53.68 1xnr n ALA 149 Cb 0.52 -1.97 0.02 0.00 0.00 0.00 0.00 19.45 18.03 1xnr n ALA 149 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xnr h GLU 150 N 4.89 -0.07 -0.10 0.00 4.39 -1.94 0.40 114.58 122.15 1xnr h GLU 150 Ca -0.47 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.26 1xnr h GLU 150 Cb 1.37 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1xnr h GLU 150 CO 0.86 -0.04 0.10 0.87 -1.16 0.00 0.00 179.01 179.63 1xnr h LYS 151 N -0.07 0.00 0.00 2.33 6.56 -1.98 -1.98 116.57 121.44 1xnr h LYS 151 Ca 0.22 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.62 1xnr h LYS 151 Cb 0.41 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.03 1xnr h LYS 151 CO -0.51 0.00 -1.41 0.77 -2.06 0.00 0.00 179.45 176.24 1xnr h SER 152 N 0.00 0.00 -0.83 0.86 0.02 -0.75 -3.39 113.55 109.46 1xnr h SER 152 Ca 0.05 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.16 1xnr h SER 152 Cb 0.24 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.63 1xnr h SER 152 CO -0.00 0.67 -0.22 0.54 -1.14 0.00 0.00 176.83 176.68 1xnr n ARG 153 N -2.95 -0.08 0.00 3.45 5.12 1.00 0.12 116.66 123.31 1xnr n ARG 153 Ca -0.10 1.30 0.00 0.00 -1.93 0.00 0.00 57.85 57.11 1xnr n ARG 153 Cb 0.88 -1.94 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 1xnr n ARG 153 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xnr n ASN 154 N -5.35 1.46 -4.82 0.55 3.02 -1.26 -4.37 115.26 104.49 1xnr n ASN 154 Ca 0.13 -1.83 -0.37 0.00 -0.03 0.00 0.00 54.58 52.48 1xnr n ASN 154 Cb 0.41 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 39.06 1xnr n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xnr s LEU 155 N 0.00 4.42 0.00 3.41 1.43 0.32 -4.96 118.68 123.29 1xnr s LEU 155 Ca 0.00 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1xnr s LEU 155 Cb 0.00 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1xnr s LEU 155 CO 0.00 0.16 0.93 1.21 0.23 0.00 0.00 176.35 178.88 1xnr n GLU 156 N 1.16 0.00 -0.30 1.70 0.00 -1.26 -0.50 120.64 121.44 1xnr n GLU 156 Ca -0.07 0.72 0.14 0.00 0.00 0.00 0.00 57.16 57.95 1xnr n GLU 156 Cb 0.51 -1.43 0.31 0.00 0.00 0.00 0.00 31.44 30.83 1xnr n GLU 156 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1xnr h LEU 157 N 0.00 -0.05 0.34 4.31 7.12 -1.96 -1.88 115.31 123.20 1xnr h LEU 157 Ca 0.00 0.21 -0.02 0.00 0.13 0.00 0.00 57.88 58.20 1xnr h LEU 157 Cb 0.00 0.30 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 1xnr h LEU 157 CO 0.00 -0.20 -0.17 0.40 -0.13 0.00 0.00 178.44 178.35 1xnr h ILE 158 N 0.17 0.59 -0.88 4.05 2.04 -1.80 -2.31 117.51 119.36 1xnr h ILE 158 Ca 0.57 -0.63 0.11 0.00 1.00 0.00 0.00 64.86 65.91 1xnr h ILE 158 Cb 1.19 0.87 -0.13 0.00 -0.74 0.00 0.00 36.82 38.01 1xnr h ILE 158 CO -0.70 0.11 -0.50 0.03 0.00 0.00 0.00 178.15 177.09 1xnr h ARG 159 N -0.85 -0.07 0.16 2.37 2.47 -0.02 0.13 114.38 118.57 1xnr h ARG 159 Ca -0.05 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1xnr h ARG 159 Cb 0.53 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 1xnr h ARG 159 CO 0.08 -0.04 -0.25 0.37 0.56 0.00 0.00 179.97 180.68 1xnr h GLN 160 N -0.07 -0.42 -0.63 0.04 4.15 -1.45 -1.65 115.11 115.09 1xnr h GLN 160 Ca 0.21 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.76 1xnr h GLN 160 Cb 0.51 0.10 -0.11 0.00 0.21 0.00 0.00 27.48 28.18 1xnr h GLN 160 CO -0.89 -0.28 -0.43 -0.91 -1.93 0.00 0.00 178.83 174.40 1xnr h ASN 161 N -0.43 -1.49 0.73 -0.69 4.21 -0.71 0.54 115.58 117.74 1xnr h ASN 161 Ca -0.02 0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.75 1xnr h ASN 161 Cb 0.40 0.69 0.00 0.00 -1.12 0.00 0.00 38.32 38.29 1xnr h ASN 161 CO -0.09 -0.32 0.00 -0.11 -1.29 0.00 0.00 177.43 175.62 1xnr n LEU 162 N -5.41 0.49 0.02 1.61 0.00 0.36 -2.95 117.00 111.12 1xnr n LEU 162 Ca 0.03 0.61 -0.09 0.00 0.00 0.00 0.00 56.01 56.55 1xnr n LEU 162 Cb 0.35 -0.53 -0.07 0.00 0.00 0.00 0.00 43.42 43.16 1xnr n LEU 162 CO -0.03 -0.44 0.33 -0.08 0.00 0.00 0.00 177.39 177.17 1xnr h GLU 163 N 0.00 -0.15 0.00 1.96 4.57 0.10 -3.07 114.58 118.00 1xnr h GLU 163 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1xnr h GLU 163 Cb 0.37 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1xnr h GLU 163 CO 0.00 0.31 0.22 0.00 -1.18 0.00 0.00 179.01 178.36 1xnr n ALA 164 N -2.61 0.66 0.91 2.92 0.00 -0.84 -0.31 120.51 121.24 1xnr n ALA 164 Ca -0.07 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1xnr n ALA 164 Cb 0.26 -0.74 0.57 0.00 0.00 0.00 0.00 19.45 19.54 1xnr n ALA 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xnr n MET 165 N -1.67 0.04 -2.01 0.00 2.81 -1.16 -4.62 117.12 110.52 1xnr n MET 165 Ca -0.00 0.05 -0.42 0.00 -1.81 0.00 0.00 57.70 55.51 1xnr n MET 165 Cb 0.23 -1.55 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 1xnr n MET 165 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1xnr s LYS 166 N -3.02 4.24 0.00 0.03 1.02 0.58 -2.75 119.74 119.84 1xnr s LYS 166 Ca 0.13 2.26 0.00 0.00 0.02 0.00 0.00 55.97 58.38 1xnr s LYS 166 Cb 0.17 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1xnr s LYS 166 CO 0.52 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1xnr n GLY 167 N 3.73 2.30 3.55 -3.33 0.00 -1.26 -4.99 105.19 105.19 1xnr n GLY 167 Ca 0.14 -0.43 -0.47 0.00 0.00 0.00 0.00 46.02 45.25 1xnr n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xnr n ARG 168 N 0.00 1.03 -2.50 1.61 1.74 -1.11 -4.96 116.66 112.48 1xnr n ARG 168 Ca 0.00 0.36 -0.24 0.00 -0.77 0.00 0.00 57.85 57.21 1xnr n ARG 168 Cb 0.00 -1.74 0.09 0.00 -1.02 0.00 0.00 32.46 29.79 1xnr n ARG 168 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1xnr s LYS 169 N -0.93 1.92 0.02 5.56 1.02 -1.26 -5.03 119.74 121.04 1xnr s LYS 169 Ca 0.66 -0.85 0.04 0.00 0.02 0.00 0.00 55.97 55.85 1xnr s LYS 169 Cb -0.82 -2.32 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 1xnr s LYS 169 CO 0.56 -1.28 -0.12 0.08 -0.92 0.00 0.00 175.35 173.67 1xnr s VAL 170 N -3.11 0.91 0.17 3.17 1.01 -1.26 -5.11 120.40 116.18 1xnr s VAL 170 Ca 0.63 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.60 1xnr s VAL 170 Cb -0.07 -0.81 -0.16 0.00 0.00 0.00 0.00 36.38 35.34 1xnr s VAL 170 CO 0.43 0.06 0.53 0.61 0.00 0.00 0.00 175.10 176.73 1xnr n GLY 171 N 2.28 -1.48 0.17 4.51 0.00 -1.26 -4.75 105.19 104.66 1xnr n GLY 171 Ca -0.16 0.35 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1xnr n GLY 171 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnr h PRO 172 N 1.09 0.00 -0.02 1.61 0.13 -1.99 0.40 132.00 133.23 1xnr h PRO 172 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1xnr h PRO 172 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1xnr h PRO 172 CO 0.53 0.00 -0.44 -2.67 -0.23 0.00 0.00 178.00 175.19 1xnr n TRP 173 N -2.13 0.00 -4.14 1.56 2.14 -1.26 -4.91 117.44 108.70 1xnr n TRP 173 Ca -0.01 0.00 -0.27 0.00 2.07 0.00 0.00 57.50 59.29 1xnr n TRP 173 Cb 0.28 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 30.75 1xnr n TRP 173 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1xnr n LEU 174 N -0.02 0.00 -3.15 5.67 4.77 0.13 -0.20 117.00 124.20 1xnr n LEU 174 Ca 0.10 -2.86 0.06 0.00 -0.03 0.00 0.00 56.01 53.28 1xnr n LEU 174 Cb 0.46 0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1xnr n LEU 174 CO 0.28 -0.53 0.62 -0.94 -1.33 0.00 0.00 177.39 175.49 1xnr s SER 175 N -3.98 -0.12 -0.01 -1.43 1.04 -0.98 -4.80 113.70 103.42 1xnr s SER 175 Ca 0.21 0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.65 1xnr s SER 175 Cb -0.02 1.07 -0.04 0.00 0.10 0.00 0.00 66.02 67.14 1xnr s SER 175 CO 0.13 -0.02 0.07 -1.48 0.98 0.00 0.00 173.24 172.92 1xnr s LEU 176 N 2.99 3.86 -0.89 2.42 2.34 -1.26 -0.38 118.68 127.76 1xnr s LEU 176 Ca 0.31 0.14 -0.09 0.00 0.06 0.00 0.00 54.13 54.55 1xnr s LEU 176 Cb -0.00 -2.21 0.23 0.00 -0.56 0.00 0.00 46.19 43.65 1xnr s LEU 176 CO -0.22 0.29 0.82 -0.62 -1.06 0.00 0.00 176.35 175.56 1xnr s ASP 177 N -1.63 6.58 0.00 1.48 -1.08 -1.07 -4.90 116.67 116.05 1xnr s ASP 177 Ca 0.22 -3.13 0.00 0.00 -0.52 0.00 0.00 52.55 49.12 1xnr s ASP 177 Cb -0.12 -2.11 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 1xnr s ASP 177 CO 0.12 -0.40 0.63 0.52 0.52 0.00 0.00 175.17 176.56 1xnr n VAL 178 N 3.30 0.60 0.00 1.11 0.31 -1.26 -1.85 118.33 120.54 1xnr n VAL 178 Ca 0.17 0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.97 1xnr n VAL 178 Cb 0.42 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 1xnr n VAL 178 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xnr n GLU 179 N -1.13 0.00 0.00 5.55 1.02 -1.26 -3.95 120.64 120.87 1xnr n GLU 179 Ca 0.00 0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.23 1xnr n GLU 179 Cb 0.32 -0.72 0.41 0.00 -0.02 0.00 0.00 31.44 31.43 1xnr n GLU 179 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xnr n GLY 180 N 1.32 -0.75 3.36 0.62 0.00 -1.09 -4.85 105.19 103.80 1xnr n GLY 180 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 1xnr n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xnr n MET 181 N -0.79 -6.77 -3.67 1.61 2.81 -0.77 -4.71 117.12 104.82 1xnr n MET 181 Ca 0.10 0.79 -0.29 0.00 -1.81 0.00 0.00 57.70 56.50 1xnr n MET 181 Cb 0.05 -5.67 -0.16 0.00 -0.71 0.00 0.00 33.22 26.73 1xnr n MET 181 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1xnr s LYS 182 N -5.68 0.50 0.56 0.03 -2.85 -1.17 -3.46 119.74 107.67 1xnr s LYS 182 Ca 0.23 -0.63 -0.05 0.00 -1.00 0.00 0.00 55.97 54.53 1xnr s LYS 182 Cb -0.10 -1.80 0.12 0.00 -2.06 0.00 0.00 37.83 33.98 1xnr s LYS 182 CO 0.69 -0.85 0.76 0.41 0.10 0.00 0.00 175.35 176.46 1xnr n GLY 183 N 5.06 -0.14 3.01 0.59 0.00 -1.14 -2.59 105.19 109.97 1xnr n GLY 183 Ca -0.06 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 1xnr n GLY 183 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xnr s LYS 184 N -4.52 0.19 -0.65 1.61 2.20 0.49 -2.04 119.74 117.03 1xnr s LYS 184 Ca 0.47 0.07 -0.22 0.00 -0.36 0.00 0.00 55.97 55.93 1xnr s LYS 184 Cb -0.02 0.09 0.08 0.00 -1.51 0.00 0.00 37.83 36.46 1xnr s LYS 184 CO 0.32 -0.03 0.92 0.12 -0.36 0.00 0.00 175.35 176.32 1xnr s PHE 185 N -0.17 2.73 -0.01 4.03 5.36 -0.68 -2.32 117.98 126.91 1xnr s PHE 185 Ca -0.02 -0.61 -0.22 0.00 -0.96 0.00 0.00 56.93 55.11 1xnr s PHE 185 Cb -0.02 -4.24 -0.14 0.00 -0.34 0.00 0.00 43.02 38.28 1xnr s PHE 185 CO 0.00 -1.59 0.98 -0.07 -1.46 0.00 0.00 175.22 173.09 1xnr h LEU 186 N 11.12 -0.51 -7.66 6.12 3.38 -0.89 0.22 115.31 127.08 1xnr h LEU 186 Ca -0.29 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.61 1xnr h LEU 186 Cb 1.07 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 1xnr h LEU 186 CO 1.17 -0.10 0.14 -0.60 0.09 0.00 0.00 178.44 179.14 1xnr s ARG 187 N -4.15 1.52 0.07 1.13 6.06 -1.12 -4.40 118.95 118.06 1xnr s ARG 187 Ca -0.12 -0.84 -0.31 0.00 -2.50 0.00 0.00 55.73 51.96 1xnr s ARG 187 Cb 0.01 0.57 -0.07 0.00 0.06 0.00 0.00 34.95 35.52 1xnr s ARG 187 CO 0.41 -0.67 1.47 -0.51 -2.50 0.00 0.00 175.30 173.51 1xnr s LEU 188 N -2.87 4.35 0.30 -0.88 1.43 -1.26 -4.75 118.68 115.00 1xnr s LEU 188 Ca 0.09 2.32 -0.30 0.00 -1.03 0.00 0.00 54.13 55.21 1xnr s LEU 188 Cb -0.03 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.51 1xnr s LEU 188 CO -0.01 -0.75 1.53 -2.16 0.23 0.00 0.00 176.35 175.20 1xnr s PRO 189 N 1.89 4.16 0.85 1.29 0.04 -1.26 -4.99 135.00 136.98 1xnr s PRO 189 Ca 0.67 2.50 -0.13 0.00 0.04 0.00 0.00 61.00 64.09 1xnr s PRO 189 Cb -0.36 -3.03 0.12 0.00 0.04 0.00 0.00 34.50 31.26 1xnr s PRO 189 CO 0.30 -0.55 1.21 -0.51 0.04 0.00 0.00 177.00 177.49 1xnr s ASP 190 N 0.32 4.03 0.10 6.66 1.01 -1.26 -4.62 116.67 122.91 1xnr s ASP 190 Ca 0.60 0.54 -0.31 0.00 0.71 0.00 0.00 52.55 54.10 1xnr s ASP 190 Cb -0.46 -0.88 -0.11 0.00 1.01 0.00 0.00 42.92 42.47 1xnr s ASP 190 CO 0.50 -2.18 1.60 -0.09 0.21 0.00 0.00 175.17 175.22 1xnr h ARG 191 N -1.22 -0.66 -0.99 8.23 9.65 -1.94 -2.21 114.38 125.25 1xnr h ARG 191 Ca -0.45 0.05 0.11 0.00 -1.10 0.00 0.00 59.98 58.59 1xnr h ARG 191 Cb 1.29 0.15 -0.08 0.00 -1.39 0.00 0.00 29.97 29.94 1xnr h ARG 191 CO 0.55 -0.44 0.62 1.49 2.80 0.00 0.00 179.97 184.99 1xnr h GLU 192 N -0.69 0.97 -1.03 0.20 4.81 -2.03 -1.28 114.58 115.53 1xnr h GLU 192 Ca -0.00 -0.06 0.32 0.00 -0.13 0.00 0.00 59.36 59.49 1xnr h GLU 192 Cb 0.66 -0.22 -0.14 0.00 0.63 0.00 0.00 28.75 29.68 1xnr h GLU 192 CO -0.14 0.64 0.60 -0.44 -0.73 0.00 0.00 179.01 178.95 1xnr h ASP 193 N 0.99 0.50 -3.26 1.04 3.32 -1.76 -3.39 116.42 113.87 1xnr h ASP 193 Ca 0.49 0.18 -0.57 0.00 0.02 0.00 0.00 57.03 57.15 1xnr h ASP 193 Cb 0.46 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 1xnr h ASP 193 CO -0.26 -0.11 -0.20 -0.76 -1.72 0.00 0.00 179.24 176.20 1xnr s LEU 194 N -10.29 4.27 -0.71 1.55 2.01 -0.48 -4.97 118.68 110.06 1xnr s LEU 194 Ca -0.10 0.82 0.05 0.00 0.01 0.00 0.00 54.13 54.91 1xnr s LEU 194 Cb 0.30 -3.33 0.20 0.00 0.01 0.00 0.00 46.19 43.36 1xnr s LEU 194 CO 0.79 0.05 0.61 0.00 1.01 0.00 0.00 176.35 178.82 1xnr n ALA 195 N 0.35 3.68 -2.80 4.21 0.00 -1.26 -4.95 120.51 119.74 1xnr n ALA 195 Ca -0.03 -4.62 -0.35 0.00 0.00 0.00 0.00 53.44 48.43 1xnr n ALA 195 Cb 0.52 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 1xnr n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xnr s LEU 196 N -1.81 3.82 0.00 0.00 1.43 -1.26 -4.96 118.68 115.90 1xnr s LEU 196 Ca 0.30 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1xnr s LEU 196 Cb 0.02 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1xnr s LEU 196 CO -0.11 0.29 1.57 -0.81 0.23 0.00 0.00 176.35 177.51 1xnr n PRO 197 N 2.79 0.83 -4.23 1.29 -0.04 -1.26 -4.72 135.00 129.65 1xnr n PRO 197 Ca -0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 1xnr n PRO 197 Cb 0.53 -1.09 -0.17 0.00 -0.04 0.00 0.00 33.50 32.74 1xnr n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xnr s VAL 198 N 0.32 0.81 -0.84 0.52 1.01 -1.26 -4.93 120.40 116.02 1xnr s VAL 198 Ca 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 1xnr s VAL 198 Cb 0.00 -0.80 0.17 0.00 0.00 0.00 0.00 36.38 35.75 1xnr s VAL 198 CO 0.00 0.30 0.90 0.21 0.00 0.00 0.00 175.10 176.51 1xnr s ASN 199 N 1.05 6.66 0.54 3.32 3.04 -1.26 -4.89 114.94 123.39 1xnr s ASN 199 Ca -0.08 -2.32 0.32 0.00 0.04 0.00 0.00 52.86 50.82 1xnr s ASN 199 Cb -0.14 -2.29 1.49 0.00 -1.54 0.00 0.00 41.25 38.77 1xnr s ASN 199 CO -0.00 -0.81 1.86 1.05 -3.04 0.00 0.00 177.10 176.16 1xnr h GLU 200 N 8.32 0.00 -0.26 0.43 9.09 -1.96 0.13 114.58 130.32 1xnr h GLU 200 Ca 0.09 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.55 1xnr h GLU 200 Cb 1.04 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 28.06 1xnr h GLU 200 CO 0.92 0.00 -0.47 1.96 0.05 0.00 0.00 179.01 181.47 1xnr h GLN 201 N 0.00 -0.43 -0.53 1.06 1.08 -1.96 0.34 115.11 114.67 1xnr h GLN 201 Ca 0.44 0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.76 1xnr h GLN 201 Cb 1.80 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 29.26 1xnr h GLN 201 CO -0.00 -0.29 0.12 -0.07 -0.95 0.00 0.00 178.83 177.64 1xnr h LEU 202 N -0.44 0.03 -0.74 1.46 3.38 -1.40 -0.57 115.31 117.03 1xnr h LEU 202 Ca 0.09 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.27 1xnr h LEU 202 Cb 0.62 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 1xnr h LEU 202 CO -0.50 0.04 0.33 0.58 0.09 0.00 0.00 178.44 178.98 1xnr h VAL 203 N 0.26 0.73 0.18 1.22 2.07 -0.36 0.17 116.25 120.51 1xnr h VAL 203 Ca 0.27 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1xnr h VAL 203 Cb 0.36 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1xnr h VAL 203 CO -0.34 0.09 -0.09 0.40 0.02 0.00 0.00 177.57 177.66 1xnr h ILE 204 N 0.51 0.83 -0.83 4.57 2.04 0.98 -2.70 117.51 122.90 1xnr h ILE 204 Ca 0.39 -0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.38 1xnr h ILE 204 Cb 0.54 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 1xnr h ILE 204 CO -0.35 0.00 0.54 -0.33 0.00 0.00 0.00 178.15 178.01 1xnr h GLU 205 N -0.24 0.62 -0.26 2.37 5.08 0.07 -0.01 114.58 122.20 1xnr h GLU 205 Ca -0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1xnr h GLU 205 Cb 0.18 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1xnr h GLU 205 CO 0.04 0.41 0.02 0.35 -1.00 0.00 0.00 179.01 178.83 1xnr h PHE 206 N 0.64 0.39 -0.01 4.33 3.57 -0.40 -0.03 116.94 125.42 1xnr h PHE 206 Ca 0.41 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1xnr h PHE 206 Cb 0.68 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1xnr h PHE 206 CO -0.00 0.38 -0.19 0.66 -2.23 0.00 0.00 178.31 176.92 1xnr n TYR 207 N -4.35 0.00 0.02 0.41 0.53 -0.17 -3.88 117.16 109.71 1xnr n TYR 207 Ca 0.01 0.00 -0.19 0.00 -1.02 0.00 0.00 57.90 56.70 1xnr n TYR 207 Cb 0.19 -0.07 -0.10 0.00 -1.03 0.00 0.00 39.34 38.33 1xnr n TYR 207 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1xnr h SER 208 N 1.78 0.74 0.00 7.72 0.02 0.54 -3.51 113.55 120.84 1xnr h SER 208 Ca 0.00 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 1xnr h SER 208 Cb 0.55 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1xnr h SER 208 CO 0.00 1.37 0.00 -1.14 -1.14 0.00 0.00 176.83 175.92