#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uei s PRO 20 N 0.00 3.72 -0.44 3.49 0.04 -1.25 -4.97 135.00 135.59 1uei s PRO 20 Ca 0.00 2.24 -0.20 0.00 0.04 0.00 0.00 61.00 63.08 1uei s PRO 20 Cb 0.00 -2.62 0.02 0.00 0.04 0.00 0.00 34.50 31.95 1uei s PRO 20 CO 0.00 -0.73 0.60 0.12 0.04 0.00 0.00 177.00 177.03 1uei s PHE 21 N -1.27 3.08 -0.19 0.56 5.36 0.11 -4.88 117.98 120.76 1uei s PHE 21 Ca 0.61 -0.14 -0.21 0.00 -0.96 0.00 0.00 56.93 56.23 1uei s PHE 21 Cb -0.40 -3.27 -0.03 0.00 -0.34 0.00 0.00 43.02 38.99 1uei s PHE 21 CO 0.51 -0.85 0.63 -0.51 -1.46 0.00 0.00 175.22 173.54 1uei s LEU 22 N 2.68 4.16 -0.14 6.12 1.43 -1.26 -0.60 118.68 131.07 1uei s LEU 22 Ca 0.20 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 1uei s LEU 22 Cb -0.15 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.17 1uei s LEU 22 CO 0.18 -0.26 -0.20 -0.63 0.23 0.00 0.00 176.35 175.67 1uei s ILE 23 N 1.80 2.26 -0.10 -0.59 1.01 0.18 0.20 121.20 125.95 1uei s ILE 23 Ca 0.29 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 1uei s ILE 23 Cb -0.16 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1uei s ILE 23 CO 0.11 0.54 0.18 -0.83 0.00 0.00 0.00 174.94 174.94 1uei s GLY 24 N 0.72 2.20 -0.06 6.18 0.00 0.70 -1.48 107.32 115.58 1uei s GLY 24 Ca -0.09 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.05 1uei s GLY 24 CO 0.01 -0.32 -0.06 0.14 0.00 0.00 0.00 173.10 172.87 1uei s VAL 25 N -1.05 0.69 0.40 1.40 1.01 0.46 -0.29 120.40 123.02 1uei s VAL 25 Ca 0.16 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1uei s VAL 25 Cb -0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1uei s VAL 25 CO 0.06 0.27 0.13 -0.55 0.00 0.00 0.00 175.10 175.00 1uei s SER 26 N 1.09 2.69 0.00 3.32 0.15 0.15 -1.90 113.70 119.20 1uei s SER 26 Ca -0.08 -1.65 0.00 0.00 0.70 0.00 0.00 55.95 54.92 1uei s SER 26 Cb -0.14 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1uei s SER 26 CO -0.01 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.13 1uei n GLY 27 N -0.88 1.45 3.78 9.45 0.00 -1.26 0.31 105.19 118.04 1uei n GLY 27 Ca -0.05 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 1uei n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uei s GLY 28 N 0.00 1.68 0.24 -0.02 0.00 -1.26 -4.11 107.32 103.86 1uei s GLY 28 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 44.72 43.36 1uei s GLY 28 CO 0.00 -0.24 1.62 -0.37 0.00 0.00 0.00 173.10 174.10 1uei n THR 29 N -4.19 0.56 -2.13 0.90 5.66 -1.26 -2.23 114.28 111.58 1uei n THR 29 Ca 0.14 -0.14 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 1uei n THR 29 Cb 0.59 -1.87 -0.03 0.00 -1.55 0.00 0.00 70.33 67.47 1uei n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uei n ALA 30 N 2.87 -0.50 0.67 1.79 0.00 -1.26 -4.75 120.51 119.33 1uei n ALA 30 Ca 0.12 0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.89 1uei n ALA 30 Cb 0.35 -2.06 0.47 0.00 0.00 0.00 0.00 19.45 18.20 1uei n ALA 30 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1uei n SER 31 N -1.59 0.33 0.00 0.00 3.41 -0.95 -4.60 113.62 110.22 1uei n SER 31 Ca -0.22 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1uei n SER 31 Cb 0.67 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1uei n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uei n GLY 32 N 0.79 1.48 0.33 5.00 0.00 -1.26 -4.53 105.19 107.00 1uei n GLY 32 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 1uei n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uei h LYS 33 N 0.00 0.92 -0.28 1.61 1.57 -1.90 -1.82 116.57 116.67 1uei h LYS 33 Ca 0.00 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 1uei h LYS 33 Cb 0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1uei h LYS 33 CO 0.00 0.69 -0.45 0.77 -0.57 0.00 0.00 179.45 179.89 1uei h SER 34 N 0.93 0.78 -0.44 0.86 0.02 -1.98 -2.70 113.55 111.02 1uei h SER 34 Ca 0.23 -0.38 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 1uei h SER 34 Cb 0.05 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1uei h SER 34 CO -0.03 1.12 -0.12 0.28 -1.14 0.00 0.00 176.83 176.93 1uei h SER 35 N 0.58 0.87 -0.64 3.07 0.02 -1.92 -1.59 113.55 113.94 1uei h SER 35 Ca 0.04 -0.37 0.04 0.00 -0.84 0.00 0.00 61.79 60.66 1uei h SER 35 Cb 1.00 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 1uei h SER 35 CO 0.10 1.03 0.38 0.58 -1.14 0.00 0.00 176.83 177.78 1uei h VAL 36 N 0.69 1.05 -0.31 2.27 2.07 -1.29 0.29 116.25 121.01 1uei h VAL 36 Ca 0.11 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1uei h VAL 36 Cb 0.66 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1uei h VAL 36 CO 0.05 0.14 0.18 0.00 0.02 0.00 0.00 177.57 177.95 1uei h ALA 38 N 1.06 0.52 -0.97 0.00 0.00 -0.47 -1.57 119.26 117.83 1uei h ALA 38 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1uei h ALA 38 Cb 0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1uei h ALA 38 CO -0.02 -0.06 0.64 -0.22 0.00 0.00 0.00 179.25 179.59 1uei h LYS 39 N 0.51 1.26 -0.39 0.00 1.63 -0.18 -0.29 116.57 119.11 1uei h LYS 39 Ca 0.16 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1uei h LYS 39 Cb -0.02 -0.28 -0.02 0.00 -0.60 0.00 0.00 32.23 31.31 1uei h LYS 39 CO -0.06 0.84 0.18 0.82 -3.45 0.00 0.00 179.45 177.77 1uei h ILE 40 N 1.30 1.18 0.66 2.00 2.04 -0.75 0.33 117.51 124.28 1uei h ILE 40 Ca 0.36 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1uei h ILE 40 Cb -0.14 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1uei h ILE 40 CO -0.08 0.20 -0.42 0.58 0.00 0.00 0.00 178.15 178.43 1uei h VAL 41 N 0.49 0.16 -0.29 1.67 2.07 -0.82 -0.43 116.25 119.10 1uei h VAL 41 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 1uei h VAL 41 Cb 0.15 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 1uei h VAL 41 CO -0.01 0.00 -0.43 -0.61 0.02 0.00 0.00 177.57 176.53 1uei h GLN 42 N -1.02 -0.32 -0.98 1.57 4.15 -0.92 -1.76 115.11 115.84 1uei h GLN 42 Ca -0.08 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.47 1uei h GLN 42 Cb 0.82 0.07 -0.08 0.00 0.21 0.00 0.00 27.48 28.50 1uei h GLN 42 CO 0.08 -0.21 0.61 -0.07 -1.93 0.00 0.00 178.83 177.30 1uei h LEU 43 N -0.33 0.90 -1.20 -2.39 4.07 -0.87 -0.52 115.31 114.98 1uei h LEU 43 Ca 0.05 0.05 0.08 0.00 0.08 0.00 0.00 57.88 58.14 1uei h LEU 43 Cb 0.47 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.02 1uei h LEU 43 CO -0.45 0.49 0.57 -0.07 -1.08 0.00 0.00 178.44 177.90 1uei h LEU 44 N 0.98 0.83 -0.83 1.67 3.38 -0.22 -1.29 115.31 119.82 1uei h LEU 44 Ca 0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1uei h LEU 44 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1uei h LEU 44 CO -0.26 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1uei n GLY 45 N -1.41 1.04 2.76 0.83 0.00 -0.20 -4.90 105.19 103.31 1uei n GLY 45 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1uei n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uei n GLN 46 N -0.07 3.17 0.00 1.61 6.02 -0.49 -5.08 117.38 122.54 1uei n GLN 46 Ca 0.00 -4.79 0.00 0.00 -0.01 0.00 0.00 57.00 52.20 1uei n GLN 46 Cb 0.20 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.20 1uei n GLN 46 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 1uei n TYR 51 N 0.15 0.00 -1.57 1.08 -0.00 -1.26 -5.05 117.16 110.51 1uei n TYR 51 Ca 0.31 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 58.28 1uei n TYR 51 Cb 0.39 0.00 0.12 0.00 -0.00 0.00 0.00 39.34 39.85 1uei n TYR 51 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 1uei n ARG 52 N 0.00 0.96 -1.70 -3.48 1.85 -1.26 -5.05 116.66 107.97 1uei n ARG 52 Ca 0.00 -2.40 -0.42 0.00 -1.00 0.00 0.00 57.85 54.03 1uei n ARG 52 Cb 0.00 -1.15 -0.03 0.00 -1.05 0.00 0.00 32.46 30.23 1uei n ARG 52 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1uei s GLN 53 N -2.06 4.14 0.37 2.89 -0.44 -1.26 -4.94 119.66 118.36 1uei s GLN 53 Ca 0.28 2.60 -0.26 0.00 -2.50 0.00 0.00 55.36 55.47 1uei s GLN 53 Cb 0.26 -3.88 -0.09 0.00 -1.64 0.00 0.00 33.01 27.66 1uei s GLN 53 CO -0.03 -0.90 1.10 0.15 0.50 0.00 0.00 175.29 176.12 1uei s LYS 54 N 3.61 4.26 -0.15 1.67 1.02 -1.26 -5.02 119.74 123.88 1uei s LYS 54 Ca 0.84 1.70 -0.24 0.00 0.02 0.00 0.00 55.97 58.30 1uei s LYS 54 Cb -0.44 -2.77 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1uei s LYS 54 CO 0.39 -0.10 0.74 -0.65 -0.92 0.00 0.00 175.35 174.81 1uei s GLN 55 N -2.13 4.32 0.15 1.68 -0.21 -1.26 -4.96 119.66 117.24 1uei s GLN 55 Ca 0.54 0.88 0.09 0.00 0.02 0.00 0.00 55.36 56.88 1uei s GLN 55 Cb -0.28 -3.54 -0.04 0.00 1.00 0.00 0.00 33.01 30.15 1uei s GLN 55 CO 0.35 -0.19 -0.20 0.08 -2.12 0.00 0.00 175.29 173.20 1uei s VAL 56 N 1.70 1.90 -0.08 1.09 1.01 -1.26 -0.39 120.40 124.36 1uei s VAL 56 Ca 0.36 -1.82 -0.14 0.00 0.00 0.00 0.00 61.98 60.37 1uei s VAL 56 Cb -0.17 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.43 1uei s VAL 56 CO 0.14 -0.19 0.35 0.54 0.00 0.00 0.00 175.10 175.94 1uei s VAL 57 N -1.68 0.03 -0.14 2.92 0.11 -0.62 -4.98 120.40 116.04 1uei s VAL 57 Ca 0.14 -0.21 -0.00 0.00 -2.93 0.00 0.00 61.98 58.98 1uei s VAL 57 Cb -0.08 -0.57 -0.01 0.00 -1.53 0.00 0.00 36.38 34.20 1uei s VAL 57 CO 0.06 -0.11 -0.14 -0.63 -3.33 0.00 0.00 175.10 170.95 1uei s ILE 58 N -0.51 2.93 0.13 7.04 1.01 -1.26 -0.21 121.20 130.34 1uei s ILE 58 Ca -0.06 -0.70 0.10 0.00 0.00 0.00 0.00 60.65 59.99 1uei s ILE 58 Cb -0.04 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1uei s ILE 58 CO 0.02 0.52 -0.19 -0.76 0.00 0.00 0.00 174.94 174.53 1uei s LEU 59 N 0.50 2.63 -0.08 2.97 1.43 0.29 -4.95 118.68 121.47 1uei s LEU 59 Ca -0.09 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.41 1uei s LEU 59 Cb -0.16 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1uei s LEU 59 CO 0.04 0.16 -0.18 -0.44 0.23 0.00 0.00 176.35 176.17 1uei s SER 60 N -2.27 3.70 0.43 2.29 0.01 -1.26 -1.44 113.70 115.15 1uei s SER 60 Ca 0.18 -0.34 0.14 0.00 1.31 0.00 0.00 55.95 57.24 1uei s SER 60 Cb -0.10 -1.06 0.94 0.00 0.21 0.00 0.00 66.02 66.00 1uei s SER 60 CO 0.10 0.26 1.96 -0.61 0.41 0.00 0.00 173.24 175.36 1uei h GLN 61 N 5.98 0.01 -0.31 12.44 4.15 -0.50 -2.00 115.11 134.88 1uei h GLN 61 Ca -0.35 -0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.15 1uei h GLN 61 Cb 1.18 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1uei h GLN 61 CO 0.51 0.23 0.27 -0.44 -1.93 0.00 0.00 178.83 177.46 1uei h ASP 62 N 0.01 0.00 0.56 -0.69 3.32 -1.94 0.10 116.42 117.79 1uei h ASP 62 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uei h ASP 62 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1uei h ASP 62 CO 0.03 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.35 1uei n SER 63 N -4.09 0.68 -1.72 6.45 7.64 -0.75 -2.71 113.62 119.13 1uei n SER 63 Ca 0.05 0.70 0.07 0.00 1.01 0.00 0.00 58.87 60.70 1uei n SER 63 Cb 0.43 -0.83 0.38 0.00 -1.01 0.00 0.00 64.21 63.18 1uei n SER 63 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1uei n PHE 64 N -2.29 1.89 -1.92 1.43 3.72 0.36 -4.44 117.46 116.21 1uei n PHE 64 Ca 0.01 -0.76 -0.38 0.00 -0.05 0.00 0.00 57.45 56.27 1uei n PHE 64 Cb 0.18 -0.48 0.03 0.00 -0.94 0.00 0.00 39.48 38.27 1uei n PHE 64 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1uei s TYR 65 N -2.79 2.45 0.79 1.38 2.02 -1.10 -1.52 117.35 118.59 1uei s TYR 65 Ca 0.53 1.42 -0.11 0.00 -0.37 0.00 0.00 57.07 58.54 1uei s TYR 65 Cb 0.41 -3.68 0.07 0.00 -0.40 0.00 0.00 41.96 38.35 1uei s TYR 65 CO 0.15 -2.51 1.09 1.03 -1.57 0.00 0.00 175.55 173.75 1uei s ARG 66 N -2.84 2.09 -0.18 -0.62 0.52 -0.44 -4.78 118.95 112.68 1uei s ARG 66 Ca 0.69 1.17 -0.26 0.00 -0.52 0.00 0.00 55.73 56.80 1uei s ARG 66 Cb -0.37 -1.88 -0.01 0.00 0.52 0.00 0.00 34.95 33.21 1uei s ARG 66 CO 0.44 -1.76 0.90 0.08 0.02 0.00 0.00 175.30 174.97 1uei s VAL 67 N -2.89 4.82 0.43 3.52 1.01 -1.26 -4.85 120.40 121.18 1uei s VAL 67 Ca 0.62 1.75 -0.11 0.00 0.00 0.00 0.00 61.98 64.25 1uei s VAL 67 Cb -0.18 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 1uei s VAL 67 CO 0.56 -0.03 0.79 -0.76 0.00 0.00 0.00 175.10 175.66 1uei s LEU 68 N 2.44 3.78 0.83 3.92 1.43 -1.26 -5.09 118.68 124.74 1uei s LEU 68 Ca 0.40 1.16 -0.09 0.00 -1.03 0.00 0.00 54.13 54.56 1uei s LEU 68 Cb -0.16 -4.05 0.15 0.00 0.03 0.00 0.00 46.19 42.15 1uei s LEU 68 CO 0.11 -0.44 1.16 0.42 0.23 0.00 0.00 176.35 177.83 1uei s THR 69 N -2.44 2.09 0.18 5.49 -4.23 -1.26 -4.78 115.64 110.68 1uei s THR 69 Ca 0.52 -0.23 -0.13 0.00 -1.18 0.00 0.00 61.69 60.67 1uei s THR 69 Cb -0.10 -2.86 0.08 0.00 1.34 0.00 0.00 72.50 70.95 1uei s THR 69 CO 0.33 0.00 1.79 0.28 -0.54 0.00 0.00 174.62 176.48 1uei h SER 70 N -1.08 0.40 -0.20 3.99 0.02 -1.99 0.42 113.55 115.12 1uei h SER 70 Ca -0.42 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1uei h SER 70 Cb 1.26 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1uei h SER 70 CO 0.44 0.28 0.04 1.05 -1.14 0.00 0.00 176.83 177.50 1uei h GLU 71 N 0.53 0.32 -0.80 3.45 -0.00 -2.00 -1.98 114.58 114.10 1uei h GLU 71 Ca 0.22 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.36 59.49 1uei h GLU 71 Cb 0.11 -0.04 -0.04 0.00 -0.00 0.00 0.00 28.75 28.78 1uei h GLU 71 CO -0.14 0.46 0.45 1.96 -0.00 0.00 0.00 179.01 181.73 1uei h GLN 72 N 0.13 1.12 -0.55 1.06 4.20 -1.85 -2.22 115.11 116.99 1uei h GLN 72 Ca 0.06 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1uei h GLN 72 Cb 0.29 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1uei h GLN 72 CO 0.00 0.82 0.12 -0.22 -0.67 0.00 0.00 178.83 178.88 1uei h LYS 73 N 1.11 0.89 -0.13 1.46 3.64 -0.85 -1.74 116.57 120.95 1uei h LYS 73 Ca 0.28 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1uei h LYS 73 Cb 0.02 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1uei h LYS 73 CO -0.05 0.84 -0.06 0.00 -2.27 0.00 0.00 179.45 177.91 1uei h ALA 74 N 1.01 0.05 -0.04 5.00 0.00 -1.01 -1.33 119.26 122.93 1uei h ALA 74 Ca 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1uei h ALA 74 Cb 0.36 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1uei h ALA 74 CO 0.00 -0.51 -0.07 0.87 0.00 0.00 0.00 179.25 179.54 1uei h LYS 75 N -0.05 0.06 -0.38 0.00 1.57 -1.25 -2.23 116.57 114.27 1uei h LYS 75 Ca 0.07 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1uei h LYS 75 Cb 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1uei h LYS 75 CO -0.17 0.14 -0.21 0.00 -0.57 0.00 0.00 179.45 178.65 1uei h ALA 76 N 1.87 0.92 -0.23 3.86 0.00 -0.34 0.65 119.26 125.98 1uei h ALA 76 Ca 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1uei h ALA 76 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1uei h ALA 76 CO 0.01 0.62 -0.03 -0.07 0.00 0.00 0.00 179.25 179.78 1uei h LEU 77 N 0.66 0.33 -0.58 0.00 3.38 -0.73 -0.43 115.31 117.93 1uei h LEU 77 Ca 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1uei h LEU 77 Cb 0.70 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1uei h LEU 77 CO 0.05 0.41 -0.02 0.29 0.09 0.00 0.00 178.44 179.26 1uei n LYS 78 N -4.31 1.33 -2.19 1.13 5.02 -0.95 -4.90 118.16 113.29 1uei n LYS 78 Ca 0.00 -0.58 -0.09 0.00 -2.02 0.00 0.00 58.31 55.63 1uei n LYS 78 Cb 0.23 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1uei n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uei n GLY 79 N 1.14 0.02 0.98 0.72 0.00 -0.17 -4.93 105.19 102.95 1uei n GLY 79 Ca 0.20 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.76 1uei n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uei n GLN 80 N -1.84 2.81 -4.91 1.61 6.02 0.22 -4.26 117.38 117.03 1uei n GLN 80 Ca -0.10 -2.90 -0.31 0.00 -0.01 0.00 0.00 57.00 53.67 1uei n GLN 80 Cb 0.58 -1.86 -0.14 0.00 1.02 0.00 0.00 30.24 29.84 1uei n GLN 80 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1uei s PHE 81 N -2.90 2.51 -0.72 1.08 5.36 -1.22 -4.77 117.98 117.32 1uei s PHE 81 Ca 0.43 -0.29 -0.19 0.00 -0.96 0.00 0.00 56.93 55.92 1uei s PHE 81 Cb 0.36 -1.51 0.12 0.00 -0.34 0.00 0.00 43.02 41.65 1uei s PHE 81 CO 0.08 0.15 0.86 1.21 -1.46 0.00 0.00 175.22 176.05 1uei s ASN 82 N -1.02 6.38 0.00 6.13 3.84 -1.26 -4.85 114.94 124.17 1uei s ASN 82 Ca 0.12 -1.73 0.15 0.00 0.21 0.00 0.00 52.86 51.61 1uei s ASN 82 Cb -0.10 -2.33 0.57 0.00 -0.55 0.00 0.00 41.25 38.84 1uei s ASN 82 CO 0.02 -1.06 1.41 0.49 -2.79 0.00 0.00 177.10 175.17 1uei n PHE 83 N 6.20 0.25 0.28 0.43 3.72 -1.26 -3.61 117.46 123.46 1uei n PHE 83 Ca 0.03 -0.12 0.07 0.00 -0.05 0.00 0.00 57.45 57.38 1uei n PHE 83 Cb 0.45 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.10 1uei n PHE 83 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1uei n ASP 84 N 0.14 2.56 -4.86 4.37 9.92 -1.26 -4.88 116.55 122.55 1uei n ASP 84 Ca 0.13 -1.75 -0.34 0.00 -0.53 0.00 0.00 54.79 52.29 1uei n ASP 84 Cb 0.24 -0.11 -0.06 0.00 -0.64 0.00 0.00 41.12 40.55 1uei n ASP 84 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1uei s HIS 85 N -1.11 3.57 0.44 1.24 2.46 -1.24 -4.81 115.29 115.85 1uei s HIS 85 Ca 0.21 0.92 0.23 0.00 0.47 0.00 0.00 55.06 56.89 1uei s HIS 85 Cb 0.13 -2.26 1.22 0.00 -0.13 0.00 0.00 32.58 31.54 1uei s HIS 85 CO 0.19 0.44 1.81 -1.35 -2.47 0.00 0.00 174.74 173.36 1uei h PRO 86 N 3.46 0.27 0.00 2.88 0.11 -1.93 0.38 132.00 137.17 1uei h PRO 86 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1uei h PRO 86 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1uei h PRO 86 CO 0.67 0.18 0.00 -0.25 -0.21 0.00 0.00 178.00 178.39 1uei n ASP 87 N -4.48 0.33 0.20 -2.05 8.00 -1.26 -2.66 116.55 114.63 1uei n ASP 87 Ca 0.23 0.58 0.14 0.00 0.71 0.00 0.00 54.79 56.45 1uei n ASP 87 Cb 0.90 -0.65 0.44 0.00 -0.02 0.00 0.00 41.12 41.79 1uei n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uei h ALA 88 N 2.38 1.00 -2.25 2.24 0.00 -1.18 -3.45 119.26 118.00 1uei h ALA 88 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1uei h ALA 88 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1uei h ALA 88 CO 0.00 0.00 -0.50 -0.06 0.00 0.00 0.00 179.25 178.69 1uei s PHE 89 N -3.35 3.21 -1.16 0.00 0.40 -1.09 -1.33 117.98 114.66 1uei s PHE 89 Ca 0.05 -0.07 -0.09 0.00 -0.60 0.00 0.00 56.93 56.22 1uei s PHE 89 Cb 0.09 -1.46 0.24 0.00 0.51 0.00 0.00 43.02 42.40 1uei s PHE 89 CO 0.56 0.50 1.41 -3.47 0.70 0.00 0.00 175.22 174.93 1uei n ASP 90 N -1.15 5.59 0.11 1.36 -0.08 -0.58 -4.76 116.55 117.05 1uei n ASP 90 Ca -0.08 -3.12 0.14 0.00 -1.51 0.00 0.00 54.79 50.21 1uei n ASP 90 Cb 0.57 -1.42 0.65 0.00 2.34 0.00 0.00 41.12 43.27 1uei n ASP 90 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 1uei h ASN 91 N 6.33 0.02 -0.08 1.67 -0.73 -1.88 0.22 115.58 121.13 1uei h ASN 91 Ca 0.26 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.40 1uei h ASN 91 Cb 0.77 -0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.35 1uei h ASN 91 CO 1.25 0.02 -0.05 -0.33 -0.37 0.00 0.00 177.43 177.95 1uei h GLU 92 N 0.03 0.18 -0.74 6.67 4.39 -2.00 -0.77 114.58 122.35 1uei h GLU 92 Ca 0.14 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1uei h GLU 92 Cb 0.51 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1uei h GLU 92 CO -0.01 0.56 0.39 1.25 -1.16 0.00 0.00 179.01 180.04 1uei h LEU 93 N -0.21 0.92 0.04 1.33 5.85 -1.71 -2.02 115.31 119.51 1uei h LEU 93 Ca 0.02 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1uei h LEU 93 Cb 0.51 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1uei h LEU 93 CO 0.01 0.76 -0.02 0.40 -0.34 0.00 0.00 178.44 179.25 1uei h ILE 94 N 1.03 1.10 -0.32 4.05 2.04 -0.88 -1.67 117.51 122.87 1uei h ILE 94 Ca 0.26 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1uei h ILE 94 Cb 0.05 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1uei h ILE 94 CO -0.04 0.11 0.16 0.25 0.00 0.00 0.00 178.15 178.64 1uei h LEU 95 N -0.25 0.24 0.48 1.44 6.46 -0.91 0.16 115.31 122.92 1uei h LEU 95 Ca -0.01 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1uei h LEU 95 Cb 0.23 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1uei h LEU 95 CO 0.01 0.18 -0.23 0.50 -0.62 0.00 0.00 178.44 178.28 1uei h LYS 96 N 0.33 -0.62 -0.60 1.25 3.64 -1.37 -0.40 116.57 118.81 1uei h LYS 96 Ca 0.13 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1uei h LYS 96 Cb 0.04 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 1uei h LYS 96 CO -0.09 -0.42 0.25 1.15 -2.27 0.00 0.00 179.45 178.08 1uei h THR 97 N -0.65 0.83 -0.33 1.00 2.02 -1.13 -2.30 112.91 112.35 1uei h THR 97 Ca -0.07 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1uei h THR 97 Cb 0.50 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1uei h THR 97 CO 0.11 0.08 0.13 -0.07 0.37 0.00 0.00 175.52 176.14 1uei h LEU 98 N 0.46 0.47 -1.07 2.58 4.07 -0.79 -2.68 115.31 118.35 1uei h LEU 98 Ca 0.29 -0.18 0.09 0.00 0.08 0.00 0.00 57.88 58.16 1uei h LEU 98 Cb 0.31 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 41.86 1uei h LEU 98 CO -0.26 0.52 0.62 0.11 -1.08 0.00 0.00 178.44 178.35 1uei h LYS 99 N 0.39 1.02 -0.25 1.13 1.57 -0.68 -0.88 116.57 118.87 1uei h LYS 99 Ca 0.11 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1uei h LYS 99 Cb 0.20 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1uei h LYS 99 CO -0.01 0.67 -0.03 0.93 -0.57 0.00 0.00 179.45 180.44 1uei h GLU 100 N 1.05 0.46 -0.73 3.15 5.08 -1.23 -2.13 114.58 120.23 1uei h GLU 100 Ca 0.44 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1uei h GLU 100 Cb 0.31 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1uei h GLU 100 CO -0.20 0.67 0.45 0.82 -1.00 0.00 0.00 179.01 179.75 1uei h ILE 101 N 0.22 1.20 -0.98 3.13 2.04 -1.13 -0.52 117.51 121.48 1uei h ILE 101 Ca 0.07 -0.44 0.20 0.00 1.00 0.00 0.00 64.86 65.69 1uei h ILE 101 Cb 0.48 0.17 -0.09 0.00 -0.74 0.00 0.00 36.82 36.64 1uei h ILE 101 CO 0.02 0.21 0.62 0.74 0.00 0.00 0.00 178.15 179.73 1uei h THR 102 N 1.00 0.69 -0.33 -0.27 2.02 -0.96 0.24 112.91 115.30 1uei h THR 102 Ca 0.26 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1uei h THR 102 Cb -0.05 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.36 1uei h THR 102 CO -0.05 0.12 0.00 -0.62 0.37 0.00 0.00 175.52 175.33 1uei n GLU 103 N -4.67 1.77 -0.62 6.66 1.02 -0.30 -4.38 120.64 120.13 1uei n GLU 103 Ca 0.22 -1.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.17 1uei n GLU 103 Cb 0.63 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1uei n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uei n GLY 104 N 1.02 1.53 3.79 0.62 0.00 0.84 -5.00 105.19 107.99 1uei n GLY 104 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1uei n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uei s LYS 105 N -0.08 3.57 0.29 1.61 1.02 -0.64 -4.62 119.74 120.89 1uei s LYS 105 Ca 0.00 1.40 -0.06 0.00 0.02 0.00 0.00 55.97 57.33 1uei s LYS 105 Cb 0.00 -2.06 -0.06 0.00 -0.52 0.00 0.00 37.83 35.20 1uei s LYS 105 CO 0.00 -0.63 0.58 0.95 -0.92 0.00 0.00 175.35 175.32 1uei s THR 106 N -2.02 4.98 0.23 2.17 -4.23 -1.26 -3.98 115.64 111.53 1uei s THR 106 Ca 0.68 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 1uei s THR 106 Cb -0.18 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 1uei s THR 106 CO 0.25 -0.29 0.14 0.68 -0.54 0.00 0.00 174.62 174.86 1uei s VAL 107 N -2.06 0.14 -0.09 2.29 -7.23 0.21 -4.96 120.40 108.71 1uei s VAL 107 Ca 0.45 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1uei s VAL 107 Cb -0.11 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1uei s VAL 107 CO 0.28 0.00 0.01 -1.10 -0.31 0.00 0.00 175.10 173.98 1uei s GLN 108 N -4.06 2.99 -0.04 4.82 -1.52 -1.26 -0.24 119.66 120.35 1uei s GLN 108 Ca 0.39 -0.40 0.02 0.00 -1.95 0.00 0.00 55.36 53.41 1uei s GLN 108 Cb 0.07 -2.80 0.02 0.00 -0.22 0.00 0.00 33.01 30.07 1uei s GLN 108 CO 0.14 0.71 -0.07 0.42 -0.25 0.00 0.00 175.29 176.24 1uei s ILE 109 N -0.89 0.70 1.16 1.08 1.01 0.45 -4.96 121.20 119.74 1uei s ILE 109 Ca 0.13 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 1uei s ILE 109 Cb -0.11 -0.68 0.27 0.00 0.01 0.00 0.00 42.46 41.95 1uei s ILE 109 CO 0.02 0.25 1.05 -2.16 0.00 0.00 0.00 174.94 174.10 1uei s PRO 110 N 0.70 -0.83 -0.09 2.79 0.04 -1.26 -0.94 135.00 135.40 1uei s PRO 110 Ca -0.11 0.46 0.02 0.00 0.04 0.00 0.00 61.00 61.41 1uei s PRO 110 Cb -0.13 -1.59 0.02 0.00 0.04 0.00 0.00 34.50 32.83 1uei s PRO 110 CO 0.01 -3.57 -0.13 0.08 0.04 0.00 0.00 177.00 173.44 1uei s VAL 111 N -2.70 1.26 -0.16 -0.36 1.01 -1.25 -4.74 120.40 113.46 1uei s VAL 111 Ca 0.68 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 1uei s VAL 111 Cb -0.19 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1uei s VAL 111 CO 0.60 0.39 -0.02 -0.47 0.00 0.00 0.00 175.10 175.60 1uei s TYR 112 N 0.97 3.06 -0.27 5.22 5.04 -1.26 -0.74 117.35 129.36 1uei s TYR 112 Ca -0.08 -0.25 -0.15 0.00 -2.44 0.00 0.00 57.07 54.14 1uei s TYR 112 Cb -0.15 -1.98 -0.03 0.00 0.35 0.00 0.00 41.96 40.15 1uei s TYR 112 CO -0.00 -0.01 0.39 0.34 -1.34 0.00 0.00 175.55 174.93 1uei s ASP 113 N 0.37 6.27 0.32 4.32 -1.08 0.11 -4.95 116.67 122.04 1uei s ASP 113 Ca -0.03 0.29 0.17 0.00 -0.52 0.00 0.00 52.55 52.47 1uei s ASP 113 Cb -0.14 -2.22 0.22 0.00 -1.46 0.00 0.00 42.92 39.32 1uei s ASP 113 CO 0.03 -0.21 1.52 -0.26 0.52 0.00 0.00 175.17 176.77 1uei h PHE 114 N 8.17 0.00 0.00 -5.34 0.04 -1.93 -0.87 116.94 117.02 1uei h PHE 114 Ca -0.31 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.37 1uei h PHE 114 Cb 1.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 1uei h PHE 114 CO 0.75 0.39 -0.43 0.28 -0.60 0.00 0.00 178.31 178.71 1uei h VAL 115 N 0.00 0.93 0.00 -0.55 2.07 -1.85 -3.28 116.25 113.56 1uei h VAL 115 Ca -0.00 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1uei h VAL 115 Cb 1.24 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1uei h VAL 115 CO 0.05 0.42 -0.00 -1.54 0.02 0.00 0.00 177.57 176.51 1uei n SER 116 N -3.49 1.92 -4.28 0.57 3.41 -1.22 -4.93 113.62 105.60 1uei n SER 116 Ca 0.00 -2.06 -0.36 0.00 -0.26 0.00 0.00 58.87 56.19 1uei n SER 116 Cb 0.56 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 1uei n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1uei n HIS 117 N -0.57 -1.51 -4.19 7.33 -0.00 -0.38 -4.92 115.22 110.98 1uei n HIS 117 Ca 0.02 0.74 -0.14 0.00 -0.00 0.00 0.00 57.72 58.34 1uei n HIS 117 Cb 0.31 -2.77 -0.10 0.00 -0.00 0.00 0.00 29.99 27.42 1uei n HIS 117 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1uei s SER 118 N -3.60 1.46 -0.23 0.41 1.04 -0.88 -4.61 113.70 107.29 1uei s SER 118 Ca 0.55 -0.89 -0.16 0.00 0.48 0.00 0.00 55.95 55.93 1uei s SER 118 Cb -0.31 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 1uei s SER 118 CO 0.96 -0.32 0.40 -0.60 0.98 0.00 0.00 173.24 174.66 1uei s ARG 119 N -3.20 4.12 0.88 4.02 3.52 -1.26 0.08 118.95 127.11 1uei s ARG 119 Ca 0.09 0.17 -0.12 0.00 -0.13 0.00 0.00 55.73 55.75 1uei s ARG 119 Cb -0.00 -3.58 0.12 0.00 -1.56 0.00 0.00 34.95 29.93 1uei s ARG 119 CO -0.01 -0.13 1.10 0.15 -0.81 0.00 0.00 175.30 175.59 1uei s LYS 120 N 1.61 1.38 0.22 5.12 -0.14 0.08 -4.95 119.74 123.06 1uei s LYS 120 Ca 0.18 0.73 0.12 0.00 -1.36 0.00 0.00 55.97 55.64 1uei s LYS 120 Cb -0.15 -1.83 -0.02 0.00 -1.68 0.00 0.00 37.83 34.15 1uei s LYS 120 CO 0.08 -2.13 1.39 1.05 -0.76 0.00 0.00 175.35 174.98 1uei h GLU 121 N -1.47 0.00 -6.66 1.68 4.11 -1.98 -3.42 114.58 106.84 1uei h GLU 121 Ca -0.49 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.40 1uei h GLU 121 Cb 1.29 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.60 1uei h GLU 121 CO 0.56 0.70 0.93 -1.91 0.07 0.00 0.00 179.01 179.36 1uei n GLU 122 N -3.30 2.62 -4.81 1.06 2.13 -1.26 -5.01 120.64 112.07 1uei n GLU 122 Ca 0.01 0.94 -0.30 0.00 0.66 0.00 0.00 57.16 58.47 1uei n GLU 122 Cb 0.81 -2.75 -0.17 0.00 0.27 0.00 0.00 31.44 29.60 1uei n GLU 122 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1uei s THR 123 N 0.79 1.80 0.07 6.31 -1.32 -1.26 -3.76 115.64 118.28 1uei s THR 123 Ca 0.73 -0.84 -0.18 0.00 -1.21 0.00 0.00 61.69 60.18 1uei s THR 123 Cb -0.54 -1.59 -0.07 0.00 -1.51 0.00 0.00 72.50 68.80 1uei s THR 123 CO 0.38 0.50 0.55 -0.69 -2.21 0.00 0.00 174.62 173.15 1uei s VAL 124 N 0.66 4.78 -0.22 5.08 1.01 -0.11 -4.88 120.40 126.72 1uei s VAL 124 Ca -0.12 1.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.84 1uei s VAL 124 Cb -0.16 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1uei s VAL 124 CO 0.03 0.52 0.36 -0.89 0.00 0.00 0.00 175.10 175.12 1uei s THR 125 N -1.15 5.22 -0.22 3.92 2.01 -1.26 -0.41 115.64 123.75 1uei s THR 125 Ca 0.29 0.62 0.01 0.00 0.31 0.00 0.00 61.69 62.92 1uei s THR 125 Cb -0.19 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.66 1uei s THR 125 CO 0.18 0.25 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.54 1uei s VAL 126 N 1.37 2.30 0.30 3.82 1.01 0.66 -5.00 120.40 124.86 1uei s VAL 126 Ca 0.17 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 1uei s VAL 126 Cb -0.15 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.05 1uei s VAL 126 CO 0.08 0.30 0.58 -0.31 0.00 0.00 0.00 175.10 175.75 1uei s TYR 127 N 1.25 3.47 1.01 5.22 1.51 -1.26 -0.62 117.35 127.93 1uei s TYR 127 Ca 0.00 0.73 -0.13 0.00 -1.01 0.00 0.00 57.07 56.66 1uei s TYR 127 Cb -0.16 -2.17 0.13 0.00 -0.11 0.00 0.00 41.96 39.65 1uei s TYR 127 CO -0.09 0.15 0.67 -2.30 -1.11 0.00 0.00 175.55 172.87 1uei n PRO 128 N -0.86 -0.98 -3.89 -1.71 -0.02 -1.26 -4.96 135.00 121.32 1uei n PRO 128 Ca -0.01 -0.24 -0.09 0.00 -2.02 0.00 0.00 63.50 61.14 1uei n PRO 128 Cb 0.54 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 1uei n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uei s ALA 129 N -2.44 -0.54 0.18 3.55 0.00 -1.26 -5.03 121.76 116.22 1uei s ALA 129 Ca 0.62 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 1uei s ALA 129 Cb -0.21 0.94 0.09 0.00 0.00 0.00 0.00 23.12 23.95 1uei s ALA 129 CO 0.64 -0.83 1.81 -0.44 0.00 0.00 0.00 175.76 176.95 1uei h ASP 130 N 2.25 0.74 -3.64 0.00 3.32 -1.09 -3.35 116.42 114.65 1uei h ASP 130 Ca -0.27 -0.07 -0.54 0.00 0.02 0.00 0.00 57.03 56.17 1uei h ASP 130 Cb 1.25 -0.19 -0.32 0.00 0.22 0.00 0.00 39.33 40.29 1uei h ASP 130 CO 0.37 0.59 -0.83 -0.69 -1.72 0.00 0.00 179.24 176.96 1uei s VAL 131 N -5.95 1.29 -0.16 -1.35 1.01 -0.71 0.04 120.40 114.58 1uei s VAL 131 Ca -0.13 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1uei s VAL 131 Cb 0.13 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.39 1uei s VAL 131 CO 0.77 0.38 -0.17 -0.69 0.00 0.00 0.00 175.10 175.39 1uei s VAL 132 N 0.35 1.80 -0.17 2.92 1.01 0.23 -1.59 120.40 124.96 1uei s VAL 132 Ca -0.10 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 1uei s VAL 132 Cb -0.14 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1uei s VAL 132 CO 0.03 0.50 0.05 -0.76 0.00 0.00 0.00 175.10 174.92 1uei s LEU 133 N 1.31 3.78 -0.16 3.92 1.43 0.71 -0.65 118.68 129.01 1uei s LEU 133 Ca 0.03 0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1uei s LEU 133 Cb -0.13 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.18 1uei s LEU 133 CO -0.10 0.21 -0.08 0.12 0.23 0.00 0.00 176.35 176.73 1uei s PHE 134 N 0.16 1.88 0.06 0.29 5.36 -0.55 0.11 117.98 125.29 1uei s PHE 134 Ca 0.04 -1.15 0.07 0.00 -0.96 0.00 0.00 56.93 54.93 1uei s PHE 134 Cb -0.12 -1.41 -0.03 0.00 -0.34 0.00 0.00 43.02 41.11 1uei s PHE 134 CO 0.01 -0.63 -0.16 -1.83 -1.46 0.00 0.00 175.22 171.15 1uei s GLU 135 N 1.58 2.09 0.00 10.12 4.04 -0.52 -0.40 118.70 135.60 1uei s GLU 135 Ca 0.02 -0.98 0.00 0.00 0.04 0.00 0.00 54.97 54.04 1uei s GLU 135 Cb -0.15 -2.23 0.00 0.00 0.02 0.00 0.00 34.13 31.78 1uei s GLU 135 CO -0.08 0.53 0.00 0.41 -1.84 0.00 0.00 175.26 174.28 1uei n GLY 136 N 1.34 1.46 0.32 -3.83 0.00 -0.80 0.33 105.19 104.01 1uei n GLY 136 Ca -0.16 -0.21 0.19 0.00 0.00 0.00 0.00 46.02 45.85 1uei n GLY 136 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1uei h ILE 137 N 0.53 0.24 0.00 -0.61 3.07 -1.87 -2.45 117.51 116.42 1uei h ILE 137 Ca 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.39 1uei h ILE 137 Cb 0.00 0.98 -0.05 0.00 -0.27 0.00 0.00 36.82 37.48 1uei h ILE 137 CO 0.00 0.00 -0.37 0.18 -1.05 0.00 0.00 178.15 176.91 1uei n LEU 138 N -3.42 1.82 -0.34 0.16 4.32 -1.26 -4.46 117.00 113.82 1uei n LEU 138 Ca -0.03 -2.77 0.28 0.00 -0.02 0.00 0.00 56.01 53.47 1uei n LEU 138 Cb 0.09 -0.32 0.59 0.00 -1.62 0.00 0.00 43.42 42.16 1uei n LEU 138 CO 0.23 0.79 1.25 0.00 -1.22 0.00 0.00 177.39 178.44 1uei h ALA 139 N 0.41 2.53 -0.71 -1.18 0.00 -1.73 0.45 119.26 119.03 1uei h ALA 139 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uei h ALA 139 Cb 1.20 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1uei h ALA 139 CO 0.01 -0.95 0.00 1.19 0.00 0.00 0.00 179.25 179.50 1uei n PHE 140 N -4.52 0.94 0.37 0.00 3.72 -1.26 -4.47 117.46 112.24 1uei n PHE 140 Ca 0.27 -0.47 -0.15 0.00 -0.05 0.00 0.00 57.45 57.05 1uei n PHE 140 Cb 1.05 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.52 1uei n PHE 140 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1uei h TYR 141 N 4.26 -0.89 -2.90 1.38 3.20 -1.25 -3.43 116.97 117.35 1uei h TYR 141 Ca 0.00 -0.02 -0.54 0.00 3.14 0.00 0.00 58.73 61.31 1uei h TYR 141 Cb 0.97 0.30 0.01 0.00 1.54 0.00 0.00 36.73 39.54 1uei h TYR 141 CO 0.47 -0.56 0.84 0.45 -1.64 0.00 0.00 178.16 177.72 1uei s SER 142 N -4.28 6.81 0.33 -2.11 0.15 -1.26 -4.92 113.70 108.42 1uei s SER 142 Ca -0.14 2.20 0.02 0.00 0.70 0.00 0.00 55.95 58.73 1uei s SER 142 Cb 0.01 -2.57 0.60 0.00 -1.71 0.00 0.00 66.02 62.36 1uei s SER 142 CO 0.42 -0.73 1.98 -0.61 1.20 0.00 0.00 173.24 175.50 1uei h GLN 143 N 7.72 0.89 -0.29 5.44 -0.00 -1.97 -1.60 115.11 125.32 1uei h GLN 143 Ca -0.39 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.65 58.15 1uei h GLN 143 Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 28.46 1uei h GLN 143 CO 0.90 0.59 -0.04 0.93 0.00 0.00 0.00 178.83 181.21 1uei h GLU 144 N 0.92 0.53 -0.43 1.69 5.08 -1.97 -2.72 114.58 117.68 1uei h GLU 144 Ca 0.29 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1uei h GLU 144 Cb 0.01 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1uei h GLU 144 CO -0.08 0.72 0.20 0.28 -1.00 0.00 0.00 179.01 179.13 1uei h VAL 145 N 0.30 1.19 -0.87 3.13 2.07 -1.87 -2.98 116.25 117.21 1uei h VAL 145 Ca 0.08 -0.54 0.16 0.00 0.82 0.00 0.00 66.70 67.21 1uei h VAL 145 Cb 0.50 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1uei h VAL 145 CO 0.02 0.21 0.56 -0.09 0.02 0.00 0.00 177.57 178.29 1uei h ARG 146 N 0.56 0.58 0.00 1.57 2.43 -1.20 -1.19 114.38 117.12 1uei h ARG 146 Ca 0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1uei h ARG 146 Cb 0.14 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1uei h ARG 146 CO -0.02 0.38 0.00 -0.44 -1.51 0.00 0.00 179.97 178.39 1uei h ASP 147 N 0.59 0.00 1.30 -3.80 3.32 -1.33 -3.06 116.42 113.44 1uei h ASP 147 Ca 0.44 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.48 1uei h ASP 147 Cb 0.82 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1uei h ASP 147 CO -0.19 0.00 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.23 1uei h LEU 148 N 0.00 0.00 -9.62 1.55 4.07 -1.19 -3.44 115.31 106.68 1uei h LEU 148 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 1uei h LEU 148 Cb 0.79 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.50 1uei h LEU 148 CO 0.00 0.03 0.22 -0.36 -1.08 0.00 0.00 178.44 177.25 1uei s PHE 149 N -3.52 3.83 -0.60 1.13 0.08 -1.16 -4.75 117.98 112.98 1uei s PHE 149 Ca 0.03 1.62 0.23 0.00 0.12 0.00 0.00 56.93 58.93 1uei s PHE 149 Cb 0.08 -2.86 0.04 0.00 -0.57 0.00 0.00 43.02 39.70 1uei s PHE 149 CO 0.59 0.35 1.01 1.04 -0.10 0.00 0.00 175.22 178.12 1uei n GLN 150 N 2.30 0.29 -3.78 0.44 6.02 0.13 -4.87 117.38 117.93 1uei n GLN 150 Ca -0.03 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.83 1uei n GLN 150 Cb 0.49 -1.59 -0.10 0.00 1.02 0.00 0.00 30.24 30.06 1uei n GLN 150 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1uei s MET 151 N -3.20 0.44 -0.06 -1.09 1.75 -1.17 -5.03 119.30 110.93 1uei s MET 151 Ca 0.03 0.20 -0.00 0.00 -1.25 0.00 0.00 55.69 54.67 1uei s MET 151 Cb 0.14 0.20 0.02 0.00 2.84 0.00 0.00 34.83 38.04 1uei s MET 151 CO 0.80 -0.08 -0.03 0.15 -0.65 0.00 0.00 175.02 175.21 1uei s LYS 152 N -0.33 0.81 -0.04 4.11 1.02 -1.26 -0.22 119.74 123.83 1uei s LYS 152 Ca -0.05 -0.04 0.07 0.00 0.02 0.00 0.00 55.97 55.98 1uei s LYS 152 Cb -0.03 -0.96 -0.01 0.00 -0.52 0.00 0.00 37.83 36.30 1uei s LYS 152 CO 0.01 -0.19 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.51 1uei s LEU 153 N 1.41 2.05 -0.17 3.17 1.43 0.60 -0.31 118.68 126.85 1uei s LEU 153 Ca -0.03 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1uei s LEU 153 Cb -0.13 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1uei s LEU 153 CO -0.03 0.26 -0.14 0.12 0.23 0.00 0.00 176.35 176.80 1uei s PHE 154 N -0.33 2.81 -0.31 0.29 5.36 -0.62 -0.67 117.98 124.51 1uei s PHE 154 Ca 0.02 -1.12 -0.21 0.00 -0.96 0.00 0.00 56.93 54.67 1uei s PHE 154 Cb -0.12 -1.93 -0.01 0.00 -0.34 0.00 0.00 43.02 40.63 1uei s PHE 154 CO 0.02 -0.54 0.67 0.08 -1.46 0.00 0.00 175.22 173.98 1uei s VAL 155 N 1.00 4.90 -0.64 3.12 1.01 0.15 0.47 120.40 130.42 1uei s VAL 155 Ca -0.02 0.93 -0.10 0.00 0.00 0.00 0.00 61.98 62.79 1uei s VAL 155 Cb -0.15 -4.03 0.16 0.00 0.00 0.00 0.00 36.38 32.36 1uei s VAL 155 CO -0.03 -0.16 0.53 -0.62 0.00 0.00 0.00 175.10 174.82 1uei s ASP 156 N 1.63 6.03 -0.08 3.32 2.15 0.96 -4.30 116.67 126.38 1uei s ASP 156 Ca 0.27 -2.38 0.02 0.00 0.43 0.00 0.00 52.55 50.89 1uei s ASP 156 Cb -0.15 -2.07 -0.02 0.00 -0.30 0.00 0.00 42.92 40.38 1uei s ASP 156 CO 0.12 -0.60 -0.11 -0.89 -0.17 0.00 0.00 175.17 173.51 1uei s THR 157 N 0.66 3.29 0.16 1.71 2.01 -1.26 -0.76 115.64 121.44 1uei s THR 157 Ca 0.12 -0.62 -0.32 0.00 0.31 0.00 0.00 61.69 61.18 1uei s THR 157 Cb -0.20 -2.33 -0.17 0.00 0.01 0.00 0.00 72.50 69.81 1uei s THR 157 CO -0.04 0.57 0.81 0.47 -0.69 0.00 0.00 174.62 175.75 1uei n ASP 158 N 2.62 -0.26 -0.21 3.53 8.00 -1.26 -4.72 116.55 124.24 1uei n ASP 158 Ca -0.18 1.14 -0.01 0.00 0.71 0.00 0.00 54.79 56.46 1uei n ASP 158 Cb 0.52 -1.02 0.10 0.00 -0.02 0.00 0.00 41.12 40.71 1uei n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uei h ALA 159 N 1.98 0.84 -0.31 2.24 0.00 -1.99 -0.61 119.26 121.41 1uei h ALA 159 Ca -0.37 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1uei h ALA 159 Cb 1.41 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1uei h ALA 159 CO 0.61 -0.09 -0.42 0.38 0.00 0.00 0.00 179.25 179.73 1uei h ASP 160 N 0.53 0.90 -0.90 0.00 2.03 -2.00 -1.77 116.42 115.21 1uei h ASP 160 Ca 0.30 -0.50 0.06 0.00 -0.73 0.00 0.00 57.03 56.16 1uei h ASP 160 Cb 0.30 -0.26 -0.06 0.00 -0.83 0.00 0.00 39.33 38.48 1uei h ASP 160 CO -0.25 1.22 0.57 0.74 -1.03 0.00 0.00 179.24 180.49 1uei h THR 161 N 0.60 1.06 -0.34 1.15 2.02 -1.82 -1.11 112.91 114.46 1uei h THR 161 Ca 0.03 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 1uei h THR 161 Cb 1.01 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1uei h THR 161 CO 0.10 0.19 0.01 0.03 0.37 0.00 0.00 175.52 176.21 1uei h ARG 162 N 1.03 0.60 -0.52 6.66 3.08 -0.95 -2.90 114.38 121.38 1uei h ARG 162 Ca 0.39 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1uei h ARG 162 Cb 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1uei h ARG 162 CO -0.17 0.71 0.26 1.25 -1.07 0.00 0.00 179.97 180.96 1uei h LEU 163 N 0.41 0.66 -0.57 3.04 6.46 -0.74 -0.19 115.31 124.38 1uei h LEU 163 Ca 0.10 -0.11 0.11 0.00 -0.12 0.00 0.00 57.88 57.85 1uei h LEU 163 Cb 0.44 -0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 40.11 1uei h LEU 163 CO 0.02 0.58 0.07 -1.28 -0.62 0.00 0.00 178.44 177.21 1uei h SER 164 N 0.69 -0.11 -0.27 1.25 0.87 -1.18 -0.36 113.55 114.44 1uei h SER 164 Ca 0.18 0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.78 1uei h SER 164 Cb 0.09 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1uei h SER 164 CO -0.03 -0.04 -0.12 0.03 -0.53 0.00 0.00 176.83 176.14 1uei h ARG 165 N 0.19 0.55 -0.70 2.24 3.08 -1.27 -2.60 114.38 115.88 1uei h ARG 165 Ca 0.29 -0.24 0.12 0.00 0.07 0.00 0.00 59.98 60.22 1uei h ARG 165 Cb 0.45 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.39 1uei h ARG 165 CO -0.42 0.80 0.27 -0.09 -1.07 0.00 0.00 179.97 179.46 1uei h ARG 166 N 0.29 0.43 0.15 0.04 9.65 -0.27 1.00 114.38 125.66 1uei h ARG 166 Ca 0.06 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1uei h ARG 166 Cb 0.63 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1uei h ARG 166 CO 0.04 0.28 -0.07 0.28 2.80 0.00 0.00 179.97 183.30 1uei h VAL 167 N 0.44 0.97 -0.38 0.20 2.07 -1.04 0.07 116.25 118.58 1uei h VAL 167 Ca 0.37 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1uei h VAL 167 Cb 0.51 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1uei h VAL 167 CO -0.36 0.13 0.22 -0.07 0.02 0.00 0.00 177.57 177.51 1uei h LEU 168 N -0.48 0.46 -0.35 2.57 3.38 -1.12 -1.52 115.31 118.25 1uei h LEU 168 Ca -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1uei h LEU 168 Cb 0.37 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1uei h LEU 168 CO 0.03 0.39 0.16 -0.09 0.09 0.00 0.00 178.44 179.02 1uei h ARG 169 N 0.49 0.50 -0.83 1.13 2.43 -0.82 -2.27 114.38 115.02 1uei h ARG 169 Ca 0.14 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1uei h ARG 169 Cb 0.02 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 1uei h ARG 169 CO -0.02 0.47 0.40 -0.44 -1.51 0.00 0.00 179.97 178.86 1uei h ASP 170 N 0.42 1.09 -0.03 -3.80 5.19 -0.78 0.93 116.42 119.44 1uei h ASP 170 Ca 0.12 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1uei h ASP 170 Cb 0.13 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.36 1uei h ASP 170 CO -0.01 0.92 -0.00 0.40 -3.12 0.00 0.00 179.24 177.42 1uei h ILE 171 N 1.18 1.25 0.00 0.35 2.04 -1.17 -1.01 117.51 120.15 1uei h ILE 171 Ca 0.29 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1uei h ILE 171 Cb 0.12 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1uei h ILE 171 CO -0.04 0.20 -0.24 0.77 0.00 0.00 0.00 178.15 178.84 1uei h SER 172 N -0.25 0.00 0.00 1.72 4.64 -1.35 -3.35 113.55 114.97 1uei h SER 172 Ca 0.01 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1uei h SER 172 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1uei h SER 172 CO 0.00 0.02 -0.79 -0.62 -0.87 0.00 0.00 176.83 174.57 1uei n GLU 173 N -2.65 2.85 -0.35 4.77 1.02 0.32 -4.78 120.64 121.81 1uei n GLU 173 Ca 0.04 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.26 1uei n GLU 173 Cb 0.49 -0.89 0.24 0.00 -0.02 0.00 0.00 31.44 31.26 1uei n GLU 173 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1uei n ARG 174 N -1.74 3.06 -3.76 3.49 1.74 -0.86 -4.74 116.66 113.86 1uei n ARG 174 Ca 0.00 -2.47 -0.23 0.00 -0.77 0.00 0.00 57.85 54.38 1uei n ARG 174 Cb 0.39 -1.56 0.02 0.00 -1.02 0.00 0.00 32.46 30.30 1uei n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uei n GLY 175 N 0.60 -0.36 3.55 -0.13 0.00 -0.79 -4.11 105.19 103.96 1uei n GLY 175 Ca 0.18 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 1uei n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uei s ARG 176 N -6.09 1.98 -0.06 1.61 1.81 -0.45 -5.00 118.95 112.75 1uei s ARG 176 Ca 0.06 -1.27 -0.05 0.00 -1.72 0.00 0.00 55.73 52.74 1uei s ARG 176 Cb -0.02 -2.13 -0.04 0.00 -0.45 0.00 0.00 34.95 32.31 1uei s ARG 176 CO 0.84 0.44 0.17 -0.51 -0.68 0.00 0.00 175.30 175.56 1uei s ASP 177 N -2.71 6.39 0.08 0.23 1.01 -1.26 -3.91 116.67 116.50 1uei s ASP 177 Ca 0.24 0.42 -0.15 0.00 0.71 0.00 0.00 52.55 53.77 1uei s ASP 177 Cb -0.09 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.77 1uei s ASP 177 CO 0.14 0.33 1.12 -0.11 0.21 0.00 0.00 175.17 176.85 1uei n LEU 178 N 1.42 -0.50 -0.27 1.23 0.00 -1.26 -1.29 117.00 116.33 1uei n LEU 178 Ca -0.15 1.23 0.08 0.00 0.00 0.00 0.00 56.01 57.17 1uei n LEU 178 Cb 0.54 -0.30 0.22 0.00 0.00 0.00 0.00 43.42 43.87 1uei n LEU 178 CO 0.38 -0.88 0.96 -0.33 0.00 0.00 0.00 177.39 177.52 1uei h GLU 179 N 0.00 0.29 -0.46 1.96 5.08 -1.99 0.16 114.58 119.62 1uei h GLU 179 Ca 0.08 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1uei h GLU 179 Cb 0.19 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1uei h GLU 179 CO -0.44 0.19 -0.17 0.37 -1.00 0.00 0.00 179.01 177.96 1uei h GLN 180 N 0.30 0.90 0.53 2.33 4.15 -1.56 -1.34 115.11 120.42 1uei h GLN 180 Ca 0.46 -0.35 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1uei h GLN 180 Cb 0.81 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.45 1uei h GLN 180 CO -0.52 1.00 -0.26 0.82 -1.93 0.00 0.00 178.83 177.94 1uei h ILE 181 N 0.79 0.47 -0.02 2.39 2.04 0.19 0.57 117.51 123.94 1uei h ILE 181 Ca 0.12 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1uei h ILE 181 Cb 0.71 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1uei h ILE 181 CO 0.05 0.02 -0.09 -0.07 0.00 0.00 0.00 178.15 178.06 1uei h LEU 182 N -0.77 0.03 -0.02 1.44 3.38 -1.03 0.42 115.31 118.75 1uei h LEU 182 Ca -0.07 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1uei h LEU 182 Cb 0.57 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1uei h LEU 182 CO 0.12 0.12 -0.04 -1.28 0.09 0.00 0.00 178.44 177.45 1uei h SER 183 N 0.03 0.07 -0.70 -0.43 0.87 -0.96 -2.34 113.55 110.09 1uei h SER 183 Ca 0.01 -0.58 -0.02 0.00 -1.23 0.00 0.00 61.79 59.97 1uei h SER 183 Cb 0.17 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 1uei h SER 183 CO 0.01 0.63 0.38 -0.61 -0.53 0.00 0.00 176.83 176.71 1uei h GLN 184 N -0.50 0.98 0.33 2.24 4.15 -0.61 -1.35 115.11 120.36 1uei h GLN 184 Ca 0.00 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 1uei h GLN 184 Cb 0.62 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1uei h GLN 184 CO 0.01 0.74 -0.16 -0.92 -1.93 0.00 0.00 178.83 176.57 1uei h TYR 185 N 0.97 -0.41 -0.23 3.99 3.20 -0.93 0.93 116.97 124.49 1uei h TYR 185 Ca 0.25 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 1uei h TYR 185 Cb 0.05 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1uei h TYR 185 CO -0.00 -0.24 -0.19 0.82 -1.64 0.00 0.00 178.16 176.91 1uei h ILE 186 N -0.46 1.24 0.10 1.81 1.08 -1.36 -0.35 117.51 119.57 1uei h ILE 186 Ca -0.05 -1.08 -0.29 0.00 -0.39 0.00 0.00 64.86 63.06 1uei h ILE 186 Cb 0.35 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 1uei h ILE 186 CO 0.07 0.34 -1.42 0.74 -0.69 0.00 0.00 178.15 177.19 1uei h THR 187 N 0.37 1.27 0.00 -0.27 2.02 -1.12 -3.42 112.91 111.76 1uei h THR 187 Ca 0.06 -2.91 0.00 0.00 0.77 0.00 0.00 66.41 64.33 1uei h THR 187 Cb 0.54 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1uei h THR 187 CO 0.04 0.83 -0.58 0.49 0.37 0.00 0.00 175.52 176.67 1uei n PHE 188 N -3.44 -0.15 0.17 3.16 3.72 0.30 -4.74 117.46 116.49 1uei n PHE 188 Ca -0.13 0.03 -0.16 0.00 -0.05 0.00 0.00 57.45 57.14 1uei n PHE 188 Cb 1.03 0.14 -0.09 0.00 -0.94 0.00 0.00 39.48 39.62 1uei n PHE 188 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1uei h VAL 189 N 0.00 0.00 -0.14 -4.37 2.07 -1.29 0.21 116.25 112.73 1uei h VAL 189 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1uei h VAL 189 Cb 0.58 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1uei h VAL 189 CO 0.00 0.00 -0.08 0.50 0.02 0.00 0.00 177.57 178.01 1uei h LYS 190 N -0.78 -0.06 -0.45 1.57 3.64 -1.35 0.14 116.57 119.28 1uei h LYS 190 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1uei h LYS 190 Cb 0.73 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1uei h LYS 190 CO -0.18 -0.04 0.29 -1.35 -2.27 0.00 0.00 179.45 175.90 1uei h PRO 191 N -0.07 0.60 0.00 1.90 0.11 -1.76 -2.65 132.00 130.13 1uei h PRO 191 Ca 0.08 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 1uei h PRO 191 Cb 0.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1uei h PRO 191 CO -0.18 0.41 -0.24 0.00 -0.21 0.00 0.00 178.00 177.78 1uei h ALA 192 N 1.16 1.51 -0.22 -0.75 0.00 -0.17 0.94 119.26 121.73 1uei h ALA 192 Ca 0.17 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1uei h ALA 192 Cb -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1uei h ALA 192 CO -0.03 0.29 -0.49 0.35 0.00 0.00 0.00 179.25 179.37 1uei h PHE 193 N 0.00 0.75 0.00 0.00 3.57 -0.39 0.14 116.94 121.00 1uei h PHE 193 Ca -0.00 -0.25 -0.18 0.00 3.53 0.00 0.00 57.97 61.08 1uei h PHE 193 Cb 0.44 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1uei h PHE 193 CO 0.00 0.98 -0.96 0.93 -2.23 0.00 0.00 178.31 177.03 1uei h GLU 194 N 0.48 0.00 0.19 1.11 5.08 -1.12 0.18 114.58 120.50 1uei h GLU 194 Ca 0.02 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.08 1uei h GLU 194 Cb 1.03 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.30 1uei h GLU 194 CO 0.10 0.66 -1.45 0.93 -1.00 0.00 0.00 179.01 178.25 1uei h GLU 195 N 0.00 0.41 0.00 2.33 5.08 -0.72 -3.42 114.58 118.26 1uei h GLU 195 Ca -0.06 -0.70 -0.07 0.00 -1.00 0.00 0.00 59.36 57.54 1uei h GLU 195 Cb 1.63 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 1uei h GLU 195 CO 0.09 1.33 -1.26 1.19 -1.00 0.00 0.00 179.01 179.36 1uei n PHE 196 N -3.78 0.00 0.17 4.33 3.72 0.47 -4.79 117.46 117.57 1uei n PHE 196 Ca -0.20 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.12 1uei n PHE 196 Cb 1.02 -0.18 -0.04 0.00 -0.94 0.00 0.00 39.48 39.34 1uei n PHE 196 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uei h LEU 198 N -1.14 0.20 -1.73 0.00 3.38 -0.90 -1.39 115.31 113.73 1uei h LEU 198 Ca -0.05 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1uei h LEU 198 Cb 0.39 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1uei h LEU 198 CO 0.09 -0.09 0.00 -0.65 0.09 0.00 0.00 178.44 177.87 1uei h PRO 199 N 0.30 0.00 0.00 1.13 0.11 -1.81 -1.68 132.00 130.05 1uei h PRO 199 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1uei h PRO 199 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1uei h PRO 199 CO -0.60 0.00 -0.41 0.25 -0.21 0.00 0.00 178.00 177.03 1uei n THR 200 N -2.55 0.06 -0.28 -1.15 -2.24 -0.52 -4.12 114.28 103.48 1uei n THR 200 Ca -0.01 -0.05 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 1uei n THR 200 Cb 0.10 0.03 0.41 0.00 -2.10 0.00 0.00 70.33 68.77 1uei n THR 200 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1uei h LYS 201 N 0.00 0.60 0.00 -0.78 3.64 -1.39 -1.49 116.57 117.15 1uei h LYS 201 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1uei h LYS 201 Cb 0.54 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1uei h LYS 201 CO 0.00 0.40 0.00 1.57 -2.27 0.00 0.00 179.45 179.15 1uei h LYS 202 N 0.62 0.00 0.00 1.90 2.10 -1.78 -2.56 116.57 116.84 1uei h LYS 202 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1uei h LYS 202 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1uei h LYS 202 CO -0.23 0.00 -0.21 0.66 -2.00 0.00 0.00 179.45 177.67 1uei n TYR 203 N -3.07 0.78 -1.64 0.07 4.01 -0.56 -4.90 117.16 111.85 1uei n TYR 203 Ca -0.02 0.23 -0.33 0.00 -0.16 0.00 0.00 57.90 57.61 1uei n TYR 203 Cb 0.13 -0.83 0.06 0.00 -0.31 0.00 0.00 39.34 38.39 1uei n TYR 203 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uei s ALA 204 N -3.12 2.33 0.01 -0.72 0.00 -0.97 -4.89 121.76 114.42 1uei s ALA 204 Ca 0.09 0.67 -0.13 0.00 0.00 0.00 0.00 51.96 52.60 1uei s ALA 204 Cb 0.13 -3.37 -0.33 0.00 0.00 0.00 0.00 23.12 19.54 1uei s ALA 204 CO 0.64 -1.50 0.92 -0.44 0.00 0.00 0.00 175.76 175.38 1uei h ASP 205 N -0.08 0.73 -3.65 0.00 3.32 -1.01 -3.46 116.42 112.27 1uei h ASP 205 Ca -0.47 -0.85 -0.24 0.00 0.02 0.00 0.00 57.03 55.48 1uei h ASP 205 Cb 1.26 -0.24 -0.30 0.00 0.22 0.00 0.00 39.33 40.28 1uei h ASP 205 CO 0.52 1.68 -0.68 -0.69 -1.72 0.00 0.00 179.24 178.36 1uei s VAL 206 N -2.60 -0.02 -0.24 -1.35 1.01 -1.15 -5.06 120.40 110.99 1uei s VAL 206 Ca -0.10 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 1uei s VAL 206 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.32 1uei s VAL 206 CO 0.91 0.03 0.03 -0.63 0.00 0.00 0.00 175.10 175.44 1uei s ILE 207 N 0.45 3.96 -0.49 2.22 1.01 -1.26 -1.59 121.20 125.51 1uei s ILE 207 Ca -0.04 -0.29 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 1uei s ILE 207 Cb -0.05 -2.84 0.05 0.00 0.01 0.00 0.00 42.46 39.63 1uei s ILE 207 CO -0.02 0.37 0.61 -0.63 0.00 0.00 0.00 174.94 175.27 1uei s ILE 208 N 1.56 4.89 0.37 2.92 1.01 0.18 -4.91 121.20 127.21 1uei s ILE 208 Ca 0.06 -0.38 -0.25 0.00 0.00 0.00 0.00 60.65 60.08 1uei s ILE 208 Cb -0.15 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 37.97 1uei s ILE 208 CO 0.01 -0.73 1.04 -2.16 0.00 0.00 0.00 174.94 173.10 1uei s PRO 209 N 2.61 4.30 -1.78 2.79 0.04 -1.26 -0.03 135.00 141.67 1uei s PRO 209 Ca 0.16 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1uei s PRO 209 Cb -0.18 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1uei s PRO 209 CO 0.13 -0.03 0.00 0.54 0.04 0.00 0.00 177.00 177.68 1uei n ARG 210 N 0.23 -1.60 0.00 4.56 1.74 0.06 -4.47 116.66 117.17 1uei n ARG 210 Ca 0.04 1.01 0.00 0.00 -0.77 0.00 0.00 57.85 58.12 1uei n ARG 210 Cb 0.49 -5.61 0.00 0.00 -1.02 0.00 0.00 32.46 26.32 1uei n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uei n GLY 211 N -0.96 1.29 0.33 -0.13 0.00 -1.20 -2.35 105.19 102.17 1uei n GLY 211 Ca -0.24 0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.00 1uei n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uei h ALA 212 N 0.00 1.64 -0.12 4.61 0.00 -1.82 -0.76 119.26 122.81 1uei h ALA 212 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1uei h ALA 212 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1uei h ALA 212 CO 0.00 -0.28 0.10 -0.44 0.00 0.00 0.00 179.25 178.64 1uei h ASP 213 N 0.53 0.00 -0.79 0.00 3.32 -1.82 -3.36 116.42 114.29 1uei h ASP 213 Ca 0.60 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 57.21 1uei h ASP 213 Cb 1.13 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.61 1uei h ASP 213 CO -0.49 0.00 1.24 0.21 -1.72 0.00 0.00 179.24 178.49 1uei s ASN 214 N -6.49 5.75 0.34 6.45 3.84 -0.29 -4.74 114.94 119.80 1uei s ASN 214 Ca -0.05 -1.37 0.18 0.00 0.21 0.00 0.00 52.86 51.83 1uei s ASN 214 Cb 0.17 -2.57 0.47 0.00 -0.55 0.00 0.00 41.25 38.77 1uei s ASN 214 CO 0.63 -2.24 1.63 -0.07 -2.79 0.00 0.00 177.10 174.27 1uei h LEU 215 N 15.65 0.00 0.36 3.21 3.38 -1.85 -2.60 115.31 133.46 1uei h LEU 215 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1uei h LEU 215 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1uei h LEU 215 CO 1.31 0.41 -0.17 0.58 0.09 0.00 0.00 178.44 180.66 1uei h VAL 216 N 0.00 0.65 -0.53 1.22 2.07 -1.95 0.96 116.25 118.67 1uei h VAL 216 Ca -0.00 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1uei h VAL 216 Cb 1.07 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1uei h VAL 216 CO 0.05 0.03 -0.03 0.00 0.02 0.00 0.00 177.57 177.64 1uei h ALA 217 N 0.06 0.96 0.00 1.67 0.00 -1.97 -2.27 119.26 117.71 1uei h ALA 217 Ca -0.05 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1uei h ALA 217 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1uei h ALA 217 CO 0.08 0.63 -0.28 0.82 0.00 0.00 0.00 179.25 180.50 1uei h ILE 218 N 0.84 0.88 0.00 0.00 2.04 -1.32 -1.44 117.51 118.52 1uei h ILE 218 Ca 0.15 -1.08 -0.19 0.00 1.00 0.00 0.00 64.86 64.74 1uei h ILE 218 Cb 0.54 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1uei h ILE 218 CO 0.03 0.27 -0.89 0.78 0.00 0.00 0.00 178.15 178.35 1uei h ASN 219 N 0.00 0.02 0.11 1.72 2.35 -0.44 -2.26 115.58 117.08 1uei h ASN 219 Ca -0.00 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.53 1uei h ASN 219 Cb 0.62 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1uei h ASN 219 CO 0.04 0.89 -0.76 -0.07 -1.65 0.00 0.00 177.43 175.88 1uei h LEU 220 N 0.01 0.66 -0.25 1.61 4.07 -0.88 -1.90 115.31 118.62 1uei h LEU 220 Ca -0.01 -0.44 -0.08 0.00 0.08 0.00 0.00 57.88 57.42 1uei h LEU 220 Cb 1.56 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 43.10 1uei h LEU 220 CO 0.12 1.21 -0.17 0.40 -1.08 0.00 0.00 178.44 178.92 1uei h ILE 221 N 0.37 1.31 -0.47 1.22 2.04 -1.28 -1.22 117.51 119.48 1uei h ILE 221 Ca -0.04 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1uei h ILE 221 Cb 1.36 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 1uei h ILE 221 CO 0.14 0.40 0.25 0.58 0.00 0.00 0.00 178.15 179.52 1uei h VAL 222 N 0.27 1.17 0.02 1.67 2.07 -1.43 -0.70 116.25 119.32 1uei h VAL 222 Ca 0.05 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1uei h VAL 222 Cb 0.70 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1uei h VAL 222 CO 0.05 0.19 -0.23 -0.61 0.02 0.00 0.00 177.57 176.98 1uei h GLN 223 N 0.62 -0.37 -0.61 1.57 5.75 -1.26 -0.70 115.11 120.12 1uei h GLN 223 Ca 0.16 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.72 1uei h GLN 223 Cb 0.07 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 1uei h GLN 223 CO -0.02 -0.24 0.40 1.25 -2.65 0.00 0.00 178.83 177.56 1uei h HIS 224 N -0.38 0.68 -0.32 3.99 2.76 -0.97 -0.41 115.15 120.50 1uei h HIS 224 Ca 0.06 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 1uei h HIS 224 Cb 0.45 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1uei h HIS 224 CO -0.26 0.40 -0.04 0.82 -1.30 0.00 0.00 177.93 177.54 1uei h ILE 225 N 0.71 1.27 -0.58 6.26 2.04 -0.33 -2.17 117.51 124.69 1uei h ILE 225 Ca 0.25 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.96 1uei h ILE 225 Cb 0.10 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1uei h ILE 225 CO -0.07 0.34 -0.02 1.56 0.00 0.00 0.00 178.15 179.96 1uei h GLN 226 N 0.38 1.04 -0.70 2.37 4.20 -0.59 -1.07 115.11 120.75 1uei h GLN 226 Ca 0.09 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.48 1uei h GLN 226 Cb 0.51 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1uei h GLN 226 CO 0.02 1.04 0.44 -0.44 -0.67 0.00 0.00 178.83 179.22 1uei h ASP 227 N 0.94 0.72 -0.15 1.46 3.32 -1.00 -1.43 116.42 120.29 1uei h ASP 227 Ca 0.16 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 1uei h ASP 227 Cb 0.58 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1uei h ASP 227 CO 0.03 0.50 -0.18 0.40 -1.72 0.00 0.00 179.24 178.28 1uei h ILE 228 N 0.86 1.35 -0.66 0.35 2.04 -1.22 -2.56 117.51 117.67 1uei h ILE 228 Ca 0.28 -1.37 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 1uei h ILE 228 Cb 0.01 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1uei h ILE 228 CO -0.10 0.41 0.23 -0.07 0.00 0.00 0.00 178.15 178.62 1uei h LEU 229 N 0.01 0.90 0.16 1.44 4.07 -1.03 -3.15 115.31 117.71 1uei h LEU 229 Ca 0.02 -0.14 -0.28 0.00 0.08 0.00 0.00 57.88 57.55 1uei h LEU 229 Cb 0.73 -0.23 0.03 0.00 1.08 0.00 0.00 40.66 42.27 1uei h LEU 229 CO 0.04 0.83 -1.21 0.78 -1.08 0.00 0.00 178.44 177.80 1uei h ASN 230 N 0.96 0.79 0.00 -0.43 2.35 -1.34 -3.51 115.58 114.39 1uei h ASN 230 Ca 0.22 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 1uei h ASN 230 Cb 0.23 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1uei h ASN 230 CO -0.01 1.59 0.00 0.61 -1.65 0.00 0.00 177.43 177.96