#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3u n THR 2 N 0.00 0.00 -1.67 6.66 -2.24 -1.26 -4.97 114.28 110.80 1u3u n THR 2 Ca 0.00 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.33 1u3u n THR 2 Cb 0.00 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 1u3u n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u3u n ALA 3 N -1.26 1.23 -0.48 6.98 0.00 -1.26 -1.10 120.51 124.63 1u3u n ALA 3 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1u3u n ALA 3 Cb 0.18 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.31 1u3u n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u3u n GLY 4 N 2.80 1.87 3.62 0.00 0.00 -1.26 -5.01 105.19 107.22 1u3u n GLY 4 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1u3u n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u3u s LYS 5 N -0.06 2.24 0.24 1.61 1.02 -0.25 -4.87 119.74 119.68 1u3u s LYS 5 Ca 0.00 -1.22 -0.30 0.00 0.02 0.00 0.00 55.97 54.47 1u3u s LYS 5 Cb 0.00 -2.24 -0.10 0.00 -0.52 0.00 0.00 37.83 34.97 1u3u s LYS 5 CO 0.00 0.43 1.38 0.08 -0.92 0.00 0.00 175.35 176.32 1u3u s VAL 6 N -1.82 2.86 -0.15 3.17 1.01 -1.26 -4.16 120.40 120.05 1u3u s VAL 6 Ca 0.27 0.73 -0.07 0.00 0.00 0.00 0.00 61.98 62.91 1u3u s VAL 6 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1u3u s VAL 6 CO 0.17 0.12 0.09 -0.63 0.00 0.00 0.00 175.10 174.86 1u3u s ILE 7 N -0.13 5.06 -0.22 2.22 1.01 -0.05 -4.93 121.20 124.16 1u3u s ILE 7 Ca 0.57 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 61.19 1u3u s ILE 7 Cb -0.40 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1u3u s ILE 7 CO 0.43 0.53 0.09 -0.54 0.00 0.00 0.00 174.94 175.45 1u3u s LYS 8 N -0.30 3.88 0.19 2.79 1.02 -1.26 -0.33 119.74 125.73 1u3u s LYS 8 Ca 0.10 -0.38 -0.04 0.00 0.02 0.00 0.00 55.97 55.66 1u3u s LYS 8 Cb -0.12 -3.33 0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1u3u s LYS 8 CO 0.01 0.06 0.33 0.00 -0.92 0.00 0.00 175.35 174.83 1u3u s LYS 10 N -2.21 3.31 0.09 0.00 1.02 -1.26 -0.33 119.74 120.35 1u3u s LYS 10 Ca 0.11 -0.37 -0.12 0.00 0.02 0.00 0.00 55.97 55.60 1u3u s LYS 10 Cb -0.02 -3.02 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 1u3u s LYS 10 CO 0.08 0.67 0.29 0.00 -0.92 0.00 0.00 175.35 175.47 1u3u s ALA 11 N -1.27 -0.57 -0.40 5.17 0.00 -0.49 -1.31 121.76 122.89 1u3u s ALA 11 Ca 0.25 -0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 1u3u s ALA 11 Cb -0.12 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.52 1u3u s ALA 11 CO 0.17 -0.53 0.39 0.00 0.00 0.00 0.00 175.76 175.79 1u3u s ALA 12 N -3.53 3.45 -0.15 0.00 0.00 0.03 -0.83 121.76 120.73 1u3u s ALA 12 Ca 0.02 -1.48 -0.06 0.00 0.00 0.00 0.00 51.96 50.44 1u3u s ALA 12 Cb 0.02 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1u3u s ALA 12 CO -0.10 -1.43 0.06 0.08 0.00 0.00 0.00 175.76 174.37 1u3u s VAL 13 N 2.02 4.82 -0.43 0.00 1.01 -0.06 -4.33 120.40 123.42 1u3u s VAL 13 Ca 0.11 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 1u3u s VAL 13 Cb -0.17 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.14 1u3u s VAL 13 CO 0.12 0.52 0.32 -0.22 0.00 0.00 0.00 175.10 175.84 1u3u s LEU 14 N -0.14 5.29 0.12 3.92 2.96 -0.04 -1.30 118.68 129.49 1u3u s LEU 14 Ca 0.07 -1.26 0.13 0.00 -0.22 0.00 0.00 54.13 52.85 1u3u s LEU 14 Cb -0.12 -2.10 -0.11 0.00 0.50 0.00 0.00 46.19 44.35 1u3u s LEU 14 CO 0.01 -0.55 1.11 -0.50 -1.32 0.00 0.00 176.35 175.10 1u3u h TRP 15 N 8.60 0.00 -2.74 5.38 4.06 -1.86 -1.86 115.95 127.52 1u3u h TRP 15 Ca -0.26 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.58 1u3u h TRP 15 Cb 1.10 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 29.05 1u3u h TRP 15 CO 0.61 0.75 -0.18 -2.00 -3.56 0.00 0.00 178.44 174.06 1u3u s GLU 16 N -2.82 0.67 0.74 0.49 2.12 -1.26 -4.56 118.70 114.08 1u3u s GLU 16 Ca -0.00 0.17 -0.14 0.00 0.36 0.00 0.00 54.97 55.36 1u3u s GLU 16 Cb 0.09 0.31 0.05 0.00 0.26 0.00 0.00 34.13 34.83 1u3u s GLU 16 CO 0.80 -0.16 1.16 0.14 -0.54 0.00 0.00 175.26 176.65 1u3u s VAL 17 N -0.74 2.64 -1.77 3.70 -7.23 -1.26 -3.49 120.40 112.26 1u3u s VAL 17 Ca -0.08 0.28 -0.01 0.00 -1.81 0.00 0.00 61.98 60.36 1u3u s VAL 17 Cb -0.04 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1u3u s VAL 17 CO 0.04 -0.20 0.08 0.29 -0.31 0.00 0.00 175.10 175.00 1u3u n LYS 18 N -2.94 -2.11 -4.25 4.82 5.02 0.10 -4.98 118.16 113.81 1u3u n LYS 18 Ca 0.12 1.00 -0.14 0.00 -2.02 0.00 0.00 58.31 57.27 1u3u n LYS 18 Cb 0.51 -5.70 -0.10 0.00 -0.02 0.00 0.00 35.03 29.72 1u3u n LYS 18 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1u3u s LYS 19 N -5.14 1.05 0.80 1.97 -0.14 -1.23 -5.09 119.74 111.97 1u3u s LYS 19 Ca 0.04 -1.45 -0.11 0.00 -1.36 0.00 0.00 55.97 53.10 1u3u s LYS 19 Cb -0.02 -0.61 0.07 0.00 -1.68 0.00 0.00 37.83 35.60 1u3u s LYS 19 CO 0.05 0.07 1.09 -2.14 -0.76 0.00 0.00 175.35 173.67 1u3u s PRO 20 N -3.75 2.01 0.49 -1.68 0.02 -1.26 -4.97 135.00 125.86 1u3u s PRO 20 Ca 0.17 1.14 -0.20 0.00 0.02 0.00 0.00 61.00 62.12 1u3u s PRO 20 Cb 0.03 -1.87 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 1u3u s PRO 20 CO 0.00 -1.80 1.04 -0.06 -0.33 0.00 0.00 177.00 175.85 1u3u s PHE 21 N -2.89 3.00 -0.18 6.54 0.40 -1.26 -4.79 117.98 118.79 1u3u s PHE 21 Ca 0.62 1.58 -0.01 0.00 -0.60 0.00 0.00 56.93 58.52 1u3u s PHE 21 Cb -0.18 -3.06 0.00 0.00 0.51 0.00 0.00 43.02 40.29 1u3u s PHE 21 CO 0.56 -0.84 -0.14 0.45 0.70 0.00 0.00 175.22 175.96 1u3u s SER 22 N -2.00 3.63 -0.40 1.36 0.15 -0.42 -4.92 113.70 111.09 1u3u s SER 22 Ca 0.67 -0.52 -0.29 0.00 0.70 0.00 0.00 55.95 56.52 1u3u s SER 22 Cb -0.16 -1.58 0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1u3u s SER 22 CO 0.20 0.03 1.21 -0.63 1.20 0.00 0.00 173.24 175.25 1u3u s ILE 23 N 1.16 4.19 0.30 6.45 -1.09 -1.26 -0.89 121.20 130.07 1u3u s ILE 23 Ca 0.01 1.28 0.11 0.00 -2.23 0.00 0.00 60.65 59.82 1u3u s ILE 23 Cb -0.14 -4.40 -0.06 0.00 -1.58 0.00 0.00 42.46 36.28 1u3u s ILE 23 CO -0.06 -0.76 -0.15 -1.61 -1.23 0.00 0.00 174.94 171.14 1u3u s GLU 24 N 4.34 1.70 -0.12 2.79 0.41 -0.01 -4.94 118.70 122.87 1u3u s GLU 24 Ca 0.52 -1.82 -0.24 0.00 -0.41 0.00 0.00 54.97 53.02 1u3u s GLU 24 Cb -0.11 -1.67 -0.03 0.00 -1.78 0.00 0.00 34.13 30.54 1u3u s GLU 24 CO 0.27 0.24 0.74 -0.51 -0.49 0.00 0.00 175.26 175.51 1u3u s ASP 25 N -3.53 6.94 0.27 -0.19 1.01 -1.26 -1.39 116.67 118.52 1u3u s ASP 25 Ca 0.30 1.14 0.07 0.00 0.71 0.00 0.00 52.55 54.77 1u3u s ASP 25 Cb -0.02 -2.42 -0.06 0.00 1.01 0.00 0.00 42.92 41.44 1u3u s ASP 25 CO 0.15 -0.24 -0.07 0.68 0.21 0.00 0.00 175.17 175.90 1u3u s VAL 26 N 1.44 1.64 -0.12 -1.27 -7.23 0.55 -4.45 120.40 110.95 1u3u s VAL 26 Ca 0.37 -2.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1u3u s VAL 26 Cb -0.17 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 1u3u s VAL 26 CO 0.15 -0.34 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.85 1u3u s GLU 27 N -3.72 3.27 -0.26 4.82 8.01 0.05 -1.70 118.70 129.17 1u3u s GLU 27 Ca 0.29 -0.71 -0.02 0.00 0.01 0.00 0.00 54.97 54.53 1u3u s GLU 27 Cb 0.03 -2.56 0.03 0.00 -4.31 0.00 0.00 34.13 27.32 1u3u s GLU 27 CO 0.11 0.24 -0.04 0.08 0.01 0.00 0.00 175.26 175.66 1u3u s VAL 28 N 0.27 2.99 0.72 2.63 1.01 0.55 -1.62 120.40 126.95 1u3u s VAL 28 Ca -0.10 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 60.67 1u3u s VAL 28 Cb -0.16 -2.56 0.04 0.00 0.00 0.00 0.00 36.38 33.70 1u3u s VAL 28 CO 0.06 0.13 1.14 0.00 0.00 0.00 0.00 175.10 176.43 1u3u s ALA 29 N 1.33 2.22 0.72 5.51 0.00 -0.20 -0.87 121.76 130.47 1u3u s ALA 29 Ca -0.01 0.63 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 1u3u s ALA 29 Cb -0.17 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.60 1u3u s ALA 29 CO -0.03 -1.70 1.12 -1.25 0.00 0.00 0.00 175.76 173.90 1u3u s PRO 30 N -4.19 2.42 0.28 0.00 0.04 -1.26 -4.84 135.00 127.45 1u3u s PRO 30 Ca 0.69 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 1u3u s PRO 30 Cb -0.23 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 1u3u s PRO 30 CO 0.46 -1.55 1.28 -1.25 0.04 0.00 0.00 177.00 175.99 1u3u s PRO 31 N -4.37 4.40 0.28 0.56 0.04 -1.26 -5.03 135.00 129.62 1u3u s PRO 31 Ca 0.66 2.11 -0.04 0.00 0.04 0.00 0.00 61.00 63.78 1u3u s PRO 31 Cb -0.21 -3.13 0.06 0.00 0.04 0.00 0.00 34.50 31.27 1u3u s PRO 31 CO 0.48 -0.16 0.39 1.63 0.04 0.00 0.00 177.00 179.37 1u3u n LYS 32 N 1.47 -0.18 -1.75 4.56 5.02 -1.26 -4.40 118.16 121.62 1u3u n LYS 32 Ca 0.02 -0.70 -0.42 0.00 -2.02 0.00 0.00 58.31 55.19 1u3u n LYS 32 Cb 0.42 -0.36 -0.01 0.00 -0.02 0.00 0.00 35.03 35.06 1u3u n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u3u n ALA 33 N -3.18 2.17 -2.18 7.82 0.00 -1.26 -1.98 120.51 121.89 1u3u n ALA 33 Ca -0.06 0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.56 1u3u n ALA 33 Cb 0.18 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.21 1u3u n ALA 33 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1u3u n TYR 34 N 1.04 -0.68 -4.40 0.00 4.02 -0.13 -4.88 117.16 112.13 1u3u n TYR 34 Ca 0.05 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.71 1u3u n TYR 34 Cb 0.37 -3.42 -0.11 0.00 -0.02 0.00 0.00 39.34 36.17 1u3u n TYR 34 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1u3u s GLU 35 N -4.61 1.48 -0.07 -0.72 2.02 -0.84 -1.02 118.70 114.95 1u3u s GLU 35 Ca 0.00 -1.60 0.01 0.00 0.02 0.00 0.00 54.97 53.39 1u3u s GLU 35 Cb 0.00 -1.55 0.02 0.00 0.10 0.00 0.00 34.13 32.70 1u3u s GLU 35 CO 0.00 0.30 -0.06 0.08 0.02 0.00 0.00 175.26 175.60 1u3u s VAL 36 N -2.33 0.70 -0.21 2.63 1.01 0.55 -0.56 120.40 122.19 1u3u s VAL 36 Ca 0.23 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1u3u s VAL 36 Cb -0.05 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 1u3u s VAL 36 CO 0.10 0.28 0.16 -0.60 0.00 0.00 0.00 175.10 175.05 1u3u s ARG 37 N 1.20 4.15 -0.04 2.72 3.52 -0.26 -0.65 118.95 129.58 1u3u s ARG 37 Ca -0.06 -0.20 0.06 0.00 -0.13 0.00 0.00 55.73 55.40 1u3u s ARG 37 Cb -0.14 -3.47 -0.01 0.00 -1.56 0.00 0.00 34.95 29.77 1u3u s ARG 37 CO -0.02 0.19 -0.23 0.42 -0.81 0.00 0.00 175.30 174.85 1u3u s ILE 38 N 0.67 1.87 -0.34 4.11 1.01 -0.03 -0.88 121.20 127.61 1u3u s ILE 38 Ca 0.09 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.54 1u3u s ILE 38 Cb -0.12 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.78 1u3u s ILE 38 CO 0.01 0.53 0.69 -0.75 0.00 0.00 0.00 174.94 175.41 1u3u s LYS 39 N -0.28 3.78 0.32 2.79 2.20 0.15 -1.96 119.74 126.73 1u3u s LYS 39 Ca 0.01 0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.57 1u3u s LYS 39 Cb -0.12 -3.78 -0.10 0.00 -1.51 0.00 0.00 37.83 32.32 1u3u s LYS 39 CO 0.02 -0.72 1.23 -1.64 -0.36 0.00 0.00 175.35 173.87 1u3u s MET 40 N 2.81 4.42 -0.09 4.03 -1.94 -0.31 -0.92 119.30 127.30 1u3u s MET 40 Ca 0.27 2.05 -0.01 0.00 -1.71 0.00 0.00 55.69 56.29 1u3u s MET 40 Cb -0.14 -3.07 -0.05 0.00 2.01 0.00 0.00 34.83 33.57 1u3u s MET 40 CO 0.14 -0.07 -0.09 0.28 -0.01 0.00 0.00 175.02 175.27 1u3u n VAL 41 N 0.86 0.49 -3.74 -6.03 0.31 -0.58 -4.69 118.33 104.95 1u3u n VAL 41 Ca -0.00 -0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.03 1u3u n VAL 41 Cb 0.43 -1.06 -0.09 0.00 -0.91 0.00 0.00 33.84 32.20 1u3u n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u3u s ALA 42 N -2.17 -0.90 -0.01 3.52 0.00 -0.96 -2.51 121.76 118.73 1u3u s ALA 42 Ca -0.12 0.75 -0.00 0.00 0.00 0.00 0.00 51.96 52.59 1u3u s ALA 42 Cb 0.04 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1u3u s ALA 42 CO 0.18 -0.22 0.02 0.54 0.00 0.00 0.00 175.76 176.28 1u3u s VAL 43 N -0.52 -0.02 0.14 0.00 0.11 -0.52 -1.46 120.40 118.14 1u3u s VAL 43 Ca -0.06 0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 59.04 1u3u s VAL 43 Cb -0.04 -0.05 -0.05 0.00 -1.53 0.00 0.00 36.38 34.72 1u3u s VAL 43 CO 0.03 0.04 0.36 -0.83 -3.33 0.00 0.00 175.10 171.36 1u3u s GLY 44 N 0.45 2.17 -0.39 6.54 0.00 0.38 0.13 107.32 116.60 1u3u s GLY 44 Ca -0.04 -0.63 -0.20 0.00 0.00 0.00 0.00 44.72 43.85 1u3u s GLY 44 CO -0.01 -0.57 0.62 -0.42 0.00 0.00 0.00 173.10 172.72 1u3u s ILE 45 N -1.67 4.88 -0.01 0.90 1.01 -0.73 -4.48 121.20 121.10 1u3u s ILE 45 Ca 0.40 0.33 -0.01 0.00 0.00 0.00 0.00 60.65 61.37 1u3u s ILE 45 Cb -0.12 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1u3u s ILE 45 CO 0.26 -0.43 0.10 0.00 0.00 0.00 0.00 174.94 174.87 1u3u h ARG 47 N 4.06 0.00 -0.88 0.00 9.65 -1.97 -1.60 114.38 123.65 1u3u h ARG 47 Ca -0.49 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.40 1u3u h ARG 47 Cb 1.18 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.72 1u3u h ARG 47 CO 0.64 0.00 0.58 1.15 2.80 0.00 0.00 179.97 185.14 1u3u h THR 48 N 0.00 1.21 -0.44 0.20 2.02 -1.99 0.32 112.91 114.23 1u3u h THR 48 Ca 0.12 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1u3u h THR 48 Cb 0.55 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1u3u h THR 48 CO -0.00 0.21 0.16 0.44 0.37 0.00 0.00 175.52 176.70 1u3u h ASP 49 N 1.17 0.62 -0.31 4.18 5.19 -1.70 -2.82 116.42 122.75 1u3u h ASP 49 Ca 0.33 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1u3u h ASP 49 Cb -0.10 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.23 1u3u h ASP 49 CO -0.08 0.64 0.17 -0.78 -3.12 0.00 0.00 179.24 176.08 1u3u h ASP 50 N 0.57 0.40 0.00 6.45 3.58 -1.21 -2.32 116.42 123.89 1u3u h ASP 50 Ca 0.14 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 1u3u h ASP 50 Cb 0.23 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 1u3u h ASP 50 CO -0.01 0.34 -0.00 0.45 -2.88 0.00 0.00 179.24 177.14 1u3u h HIS 51 N 0.46 0.00 -0.29 0.28 3.86 -0.71 -0.58 115.15 118.17 1u3u h HIS 51 Ca 0.12 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.17 1u3u h HIS 51 Cb 0.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1u3u h HIS 51 CO 0.00 0.00 -0.44 0.28 0.86 0.00 0.00 177.93 178.63 1u3u h VAL 52 N 0.00 1.29 -0.50 2.45 2.07 -1.45 0.63 116.25 120.74 1u3u h VAL 52 Ca -0.00 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 1u3u h VAL 52 Cb 0.01 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1u3u h VAL 52 CO 0.00 0.53 0.22 0.58 0.02 0.00 0.00 177.57 178.91 1u3u h VAL 53 N 0.58 1.20 0.00 2.57 2.07 -1.34 -2.51 116.25 118.82 1u3u h VAL 53 Ca 0.03 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1u3u h VAL 53 Cb 1.04 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1u3u h VAL 53 CO 0.10 0.23 0.00 -1.54 0.02 0.00 0.00 177.57 176.39 1u3u n SER 54 N -4.58 0.00 0.00 0.57 3.41 -0.31 0.02 113.62 112.73 1u3u n SER 54 Ca 0.02 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1u3u n SER 54 Cb 0.14 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1u3u n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u3u n GLY 55 N 1.17 0.73 0.19 5.00 0.00 -0.91 -4.90 105.19 106.47 1u3u n GLY 55 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1u3u n GLY 55 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1u3u h ASN 56 N 0.00 0.00 -3.21 1.61 4.21 -1.16 -3.43 115.58 113.59 1u3u h ASN 56 Ca 0.00 0.00 -0.59 0.00 1.21 0.00 0.00 56.30 56.92 1u3u h ASN 56 Cb 0.00 0.00 -0.36 0.00 -1.12 0.00 0.00 38.32 36.84 1u3u h ASN 56 CO 0.00 0.05 -0.82 -0.22 -1.29 0.00 0.00 177.43 175.15 1u3u s LEU 57 N -6.08 1.73 -0.03 1.61 2.96 -0.65 -0.74 118.68 117.47 1u3u s LEU 57 Ca 0.05 -0.56 -0.26 0.00 -0.22 0.00 0.00 54.13 53.14 1u3u s LEU 57 Cb 0.06 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 1u3u s LEU 57 CO 0.70 -0.10 0.80 -0.69 -1.32 0.00 0.00 176.35 175.74 1u3u s VAL 58 N 1.52 4.96 -0.04 1.68 1.01 -1.26 -4.21 120.40 124.06 1u3u s VAL 58 Ca 0.03 1.67 -0.27 0.00 0.00 0.00 0.00 61.98 63.41 1u3u s VAL 58 Cb -0.14 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.16 1u3u s VAL 58 CO -0.10 0.23 0.59 0.28 0.00 0.00 0.00 175.10 176.10 1u3u s THR 59 N 0.80 0.01 0.34 3.92 -1.32 -1.26 -4.69 115.64 113.45 1u3u s THR 59 Ca 0.43 -0.12 -0.29 0.00 -1.21 0.00 0.00 61.69 60.50 1u3u s THR 59 Cb -0.19 -0.91 -0.11 0.00 -1.51 0.00 0.00 72.50 69.78 1u3u s THR 59 CO 0.22 -0.06 1.51 -2.84 -2.21 0.00 0.00 174.62 171.24 1u3u s PRO 60 N -1.29 4.13 0.17 7.08 0.02 -1.26 -5.04 135.00 138.81 1u3u s PRO 60 Ca -0.11 2.55 0.10 0.00 0.02 0.00 0.00 61.00 63.55 1u3u s PRO 60 Cb -0.01 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 1u3u s PRO 60 CO 0.08 -0.55 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.54 1u3u s LEU 61 N -1.53 2.76 0.71 -5.54 1.02 -1.26 -4.36 118.68 110.48 1u3u s LEU 61 Ca 0.56 -0.66 -0.11 0.00 0.02 0.00 0.00 54.13 53.94 1u3u s LEU 61 Cb -0.46 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.28 1u3u s LEU 61 CO 0.57 0.12 1.07 -2.16 0.02 0.00 0.00 176.35 175.98 1u3u s PRO 62 N -2.66 2.75 0.04 1.29 0.04 -1.26 -4.93 135.00 130.27 1u3u s PRO 62 Ca 0.22 1.06 -0.19 0.00 0.04 0.00 0.00 61.00 62.13 1u3u s PRO 62 Cb -0.09 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.53 1u3u s PRO 62 CO 0.13 -1.25 0.43 0.54 0.04 0.00 0.00 177.00 176.89 1u3u s VAL 63 N -2.93 0.05 -0.34 -0.36 0.11 -0.70 -0.98 120.40 115.25 1u3u s VAL 63 Ca 0.60 -0.41 -0.08 0.00 -2.93 0.00 0.00 61.98 59.16 1u3u s VAL 63 Cb -0.15 -0.94 0.03 0.00 -1.53 0.00 0.00 36.38 33.78 1u3u s VAL 63 CO 0.53 -0.22 0.12 -0.63 -3.33 0.00 0.00 175.10 171.57 1u3u s ILE 64 N -2.37 4.05 0.00 7.04 1.01 -0.83 -0.86 121.20 129.23 1u3u s ILE 64 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1u3u s ILE 64 Cb -0.01 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1u3u s ILE 64 CO -0.02 -0.12 0.00 0.18 0.00 0.00 0.00 174.94 174.99 1u3u n LEU 65 N 4.88 0.00 -0.00 2.97 4.77 -1.26 -3.49 117.00 124.86 1u3u n LEU 65 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1u3u n LEU 65 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1u3u n LEU 65 CO 0.33 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1u3u n GLY 66 N 5.00 1.62 0.00 -0.72 0.00 -1.26 -1.28 105.19 108.55 1u3u n GLY 66 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1u3u n GLY 66 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1u3u n HIS 67 N 2.93 0.00 -3.12 1.61 1.44 -1.26 -0.73 115.22 116.09 1u3u n HIS 67 Ca 0.00 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.27 1u3u n HIS 67 Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 1u3u n HIS 67 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1u3u s GLU 68 N -0.09 3.10 0.33 -1.40 2.12 -1.26 -4.65 118.70 116.85 1u3u s GLU 68 Ca 0.00 -1.00 -0.15 0.00 0.36 0.00 0.00 54.97 54.17 1u3u s GLU 68 Cb 0.00 -4.15 0.06 0.00 0.26 0.00 0.00 34.13 30.30 1u3u s GLU 68 CO 0.00 -1.35 0.80 0.00 -0.54 0.00 0.00 175.26 174.17 1u3u n ALA 69 N 6.31 -1.87 -3.37 6.30 0.00 -1.24 -0.47 120.51 126.18 1u3u n ALA 69 Ca -0.07 -1.15 -0.14 0.00 0.00 0.00 0.00 53.44 52.07 1u3u n ALA 69 Cb 0.44 0.87 -0.08 0.00 0.00 0.00 0.00 19.45 20.68 1u3u n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u3u s ALA 70 N -2.01 -1.20 0.00 0.00 0.00 -0.53 -4.20 121.76 113.81 1u3u s ALA 70 Ca 0.16 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1u3u s ALA 70 Cb -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1u3u s ALA 70 CO 0.10 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1u3u n GLY 71 N 1.85 2.21 3.17 0.00 0.00 -0.30 -1.53 105.19 110.58 1u3u n GLY 71 Ca -0.17 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 1u3u n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u3u s ILE 72 N -2.93 1.61 0.11 -0.61 1.01 -0.09 -0.79 121.20 119.50 1u3u s ILE 72 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 60.65 59.53 1u3u s ILE 72 Cb 0.00 -1.38 -0.09 0.00 0.01 0.00 0.00 42.46 41.00 1u3u s ILE 72 CO 0.00 0.46 1.60 -0.69 0.00 0.00 0.00 174.94 176.31 1u3u s VAL 73 N 0.06 2.91 -0.19 2.92 1.01 -0.23 -0.68 120.40 126.20 1u3u s VAL 73 Ca -0.06 0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 1u3u s VAL 73 Cb -0.13 -3.32 -0.21 0.00 0.00 0.00 0.00 36.38 32.71 1u3u s VAL 73 CO 0.03 0.02 0.09 1.21 0.00 0.00 0.00 175.10 176.45 1u3u n GLU 74 N 4.91 0.69 -3.45 2.72 0.00 -0.06 -0.45 120.64 125.00 1u3u n GLU 74 Ca 0.15 0.25 -0.11 0.00 0.00 0.00 0.00 57.16 57.45 1u3u n GLU 74 Cb 0.40 -1.63 -0.02 0.00 0.00 0.00 0.00 31.44 30.19 1u3u n GLU 74 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1u3u s SER 75 N -6.88 -0.51 0.06 4.31 1.04 -1.07 -4.81 113.70 105.84 1u3u s SER 75 Ca -0.29 0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.23 1u3u s SER 75 Cb 0.08 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 1u3u s SER 75 CO 0.67 -0.86 -0.18 0.68 0.98 0.00 0.00 173.24 174.53 1u3u s VAL 76 N -3.48 1.47 1.06 5.02 -7.23 -1.26 -1.11 120.40 114.88 1u3u s VAL 76 Ca 0.02 -1.26 -0.18 0.00 -1.81 0.00 0.00 61.98 58.75 1u3u s VAL 76 Cb -0.01 -1.32 0.25 0.00 0.56 0.00 0.00 36.38 35.86 1u3u s VAL 76 CO -0.11 0.03 1.29 -0.83 -0.31 0.00 0.00 175.10 175.16 1u3u s GLY 77 N -1.44 1.76 0.36 2.32 0.00 0.27 -4.95 107.32 105.64 1u3u s GLY 77 Ca 0.04 -1.25 -0.28 0.00 0.00 0.00 0.00 44.72 43.24 1u3u s GLY 77 CO 0.02 -0.39 1.31 -1.83 0.00 0.00 0.00 173.10 172.21 1u3u s GLU 78 N -5.83 4.19 0.00 2.90 -1.05 -1.26 -2.98 118.70 114.67 1u3u s GLU 78 Ca 0.75 2.19 0.00 0.00 -0.15 0.00 0.00 54.97 57.76 1u3u s GLU 78 Cb -0.04 -2.93 0.00 0.00 -0.44 0.00 0.00 34.13 30.72 1u3u s GLU 78 CO 0.54 -0.32 0.00 0.41 0.95 0.00 0.00 175.26 176.85 1u3u n GLY 79 N 0.73 2.13 3.74 -3.83 0.00 -1.26 -0.95 105.19 105.74 1u3u n GLY 79 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1u3u n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u3u s VAL 80 N -2.34 3.06 0.00 1.61 1.01 -1.16 -4.84 120.40 117.74 1u3u s VAL 80 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1u3u s VAL 80 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1u3u s VAL 80 CO 0.00 0.12 0.00 0.35 0.00 0.00 0.00 175.10 175.57 1u3u n THR 81 N 2.81 0.00 0.37 3.92 -2.24 -1.26 -4.85 114.28 113.02 1u3u n THR 81 Ca 0.07 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 1u3u n THR 81 Cb 0.42 0.14 0.19 0.00 -2.10 0.00 0.00 70.33 68.98 1u3u n THR 81 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1u3u h THR 82 N 0.00 0.00 -4.08 4.28 1.35 -1.97 -3.46 112.91 109.03 1u3u h THR 82 Ca 0.00 -0.77 -0.11 0.00 -0.55 0.00 0.00 66.41 64.98 1u3u h THR 82 Cb 0.06 1.58 -0.15 0.00 -1.73 0.00 0.00 68.15 67.91 1u3u h THR 82 CO 0.00 0.00 -0.57 0.68 -0.25 0.00 0.00 175.52 175.38 1u3u s VAL 83 N -3.21 0.19 0.10 6.82 -7.23 -1.26 -4.76 120.40 111.06 1u3u s VAL 83 Ca 0.06 -1.58 -0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1u3u s VAL 83 Cb 0.09 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 1u3u s VAL 83 CO 0.69 -0.87 0.09 -1.59 -0.31 0.00 0.00 175.10 173.10 1u3u s LYS 84 N -3.87 0.84 0.22 4.82 -2.85 -1.26 -4.99 119.74 112.66 1u3u s LYS 84 Ca 0.06 -1.24 -0.31 0.00 -1.00 0.00 0.00 55.97 53.48 1u3u s LYS 84 Cb 0.07 0.27 -0.15 0.00 -2.06 0.00 0.00 37.83 35.96 1u3u s LYS 84 CO -0.10 -0.24 1.20 -2.30 0.10 0.00 0.00 175.35 174.01 1u3u n PRO 85 N -0.04 1.47 0.00 1.78 -0.02 -1.26 -1.90 135.00 135.02 1u3u n PRO 85 Ca -0.10 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1u3u n PRO 85 Cb 0.62 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1u3u n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u3u n GLY 86 N 1.84 2.62 3.77 -1.23 0.00 0.40 -4.95 105.19 107.63 1u3u n GLY 86 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1u3u n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u3u s ASP 87 N -1.44 6.19 0.02 1.61 1.01 -0.80 -4.67 116.67 118.60 1u3u s ASP 87 Ca 0.00 2.40 -0.23 0.00 0.71 0.00 0.00 52.55 55.42 1u3u s ASP 87 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1u3u s ASP 87 CO 0.00 -0.91 0.71 -0.54 0.21 0.00 0.00 175.17 174.64 1u3u s LYS 88 N -2.56 4.44 0.05 8.23 1.02 -1.26 -1.07 119.74 128.58 1u3u s LYS 88 Ca 0.62 0.95 -0.02 0.00 0.02 0.00 0.00 55.97 57.54 1u3u s LYS 88 Cb -0.31 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.61 1u3u s LYS 88 CO 0.38 0.30 0.01 0.14 -0.92 0.00 0.00 175.35 175.26 1u3u s VAL 89 N -0.05 0.19 -0.14 3.17 -7.23 0.03 -1.68 120.40 114.69 1u3u s VAL 89 Ca 0.36 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1u3u s VAL 89 Cb -0.20 -1.33 0.02 0.00 0.56 0.00 0.00 36.38 35.43 1u3u s VAL 89 CO 0.21 -0.87 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.34 1u3u s ILE 90 N -3.59 1.65 0.69 -0.62 1.01 -0.31 -1.15 121.20 118.88 1u3u s ILE 90 Ca 0.04 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 1u3u s ILE 90 Cb 0.05 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 41.01 1u3u s ILE 90 CO -0.09 0.47 1.07 -2.84 0.00 0.00 0.00 174.94 173.55 1u3u s PRO 91 N 1.27 2.81 -0.11 2.79 0.02 -1.26 -1.14 135.00 139.38 1u3u s PRO 91 Ca 0.01 1.10 0.01 0.00 0.02 0.00 0.00 61.00 62.14 1u3u s PRO 91 Cb -0.14 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1u3u s PRO 91 CO -0.08 -1.21 -0.14 -0.51 -0.33 0.00 0.00 177.00 174.74 1u3u s LEU 92 N -5.40 1.64 0.51 -5.54 1.43 0.92 -4.73 118.68 107.51 1u3u s LEU 92 Ca 0.61 -0.41 0.33 0.00 -1.03 0.00 0.00 54.13 53.63 1u3u s LEU 92 Cb -0.16 -1.04 1.46 0.00 0.03 0.00 0.00 46.19 46.48 1u3u s LEU 92 CO 0.51 -0.01 1.98 2.19 0.23 0.00 0.00 176.35 181.25 1u3u h PHE 93 N 7.56 0.00 -3.25 0.29 -0.00 -1.82 -3.37 116.94 116.36 1u3u h PHE 93 Ca -0.32 0.00 -0.60 0.00 -0.00 0.00 0.00 57.97 57.05 1u3u h PHE 93 Cb 1.16 0.00 -0.35 0.00 -0.00 0.00 0.00 35.95 36.77 1u3u h PHE 93 CO 0.48 0.00 -0.84 0.99 -0.00 0.00 0.00 178.31 178.94 1u3u s THR 94 N -3.68 1.61 0.88 0.88 2.01 -1.26 -4.73 115.64 111.35 1u3u s THR 94 Ca 0.01 -0.71 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 1u3u s THR 94 Cb 0.10 -1.46 0.14 0.00 0.01 0.00 0.00 72.50 71.28 1u3u s THR 94 CO 0.48 0.46 1.25 -2.16 -0.69 0.00 0.00 174.62 173.96 1u3u s PRO 95 N 0.98 1.32 -0.45 4.92 0.04 -1.26 -4.70 135.00 135.85 1u3u s PRO 95 Ca -0.06 -0.14 0.03 0.00 0.04 0.00 0.00 61.00 60.87 1u3u s PRO 95 Cb -0.15 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.65 1u3u s PRO 95 CO -0.02 -2.00 0.33 -1.14 0.04 0.00 0.00 177.00 174.21 1u3u s GLN 96 N -5.73 1.13 0.54 4.56 0.74 -0.01 -4.34 119.66 116.53 1u3u s GLN 96 Ca 0.68 -2.16 0.28 0.00 0.05 0.00 0.00 55.36 54.21 1u3u s GLN 96 Cb -0.07 -1.80 1.53 0.00 1.10 0.00 0.00 33.01 33.76 1u3u s GLN 96 CO 0.51 -1.32 2.11 0.00 -0.55 0.00 0.00 175.29 176.04 1u3u n GLY 98 N -0.79 0.87 0.00 0.00 0.00 -1.26 -4.83 105.19 99.19 1u3u n GLY 98 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1u3u n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u3u n LYS 99 N -2.00 0.81 -2.00 1.61 5.02 -1.26 -4.70 118.16 115.65 1u3u n LYS 99 Ca 0.00 -0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 55.98 1u3u n LYS 99 Cb 0.00 -1.09 0.08 0.00 -0.02 0.00 0.00 35.03 34.00 1u3u n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u3u h ARG 101 N -0.89 0.54 -0.33 0.00 2.43 -1.99 -1.41 114.38 112.74 1u3u h ARG 101 Ca -0.45 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.63 1u3u h ARG 101 Cb 1.32 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1u3u h ARG 101 CO 0.64 0.36 -0.02 0.28 -1.51 0.00 0.00 179.97 179.72 1u3u h VAL 102 N 0.56 1.26 -0.12 0.20 2.07 -1.92 -1.94 116.25 116.37 1u3u h VAL 102 Ca 0.43 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 1u3u h VAL 102 Cb 0.61 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1u3u h VAL 102 CO -0.37 0.33 -0.25 0.00 0.02 0.00 0.00 177.57 177.30 1u3u h LYS 104 N 0.19 0.00 -6.25 0.00 1.57 -1.13 -3.43 116.57 107.53 1u3u h LYS 104 Ca 0.03 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.24 1u3u h LYS 104 Cb 0.56 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 1u3u h LYS 104 CO 0.04 0.25 0.84 1.21 -0.57 0.00 0.00 179.45 181.22 1u3u s ASN 105 N -6.29 6.97 0.65 0.86 3.84 -0.74 -4.92 114.94 115.30 1u3u s ASN 105 Ca 0.04 1.16 0.41 0.00 0.21 0.00 0.00 52.86 54.69 1u3u s ASN 105 Cb 0.07 -2.54 2.30 0.00 -0.55 0.00 0.00 41.25 40.53 1u3u s ASN 105 CO 0.69 -0.83 2.35 1.55 -2.79 0.00 0.00 177.10 178.07 1u3u h PRO 106 N 7.97 0.00 -0.05 0.43 0.13 -1.84 -2.82 132.00 135.83 1u3u h PRO 106 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1u3u h PRO 106 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1u3u h PRO 106 CO 1.02 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.18 1u3u n GLU 107 N -3.26 2.05 -4.42 0.86 -0.58 -1.26 -4.97 120.64 109.06 1u3u n GLU 107 Ca -0.03 -1.52 -0.21 0.00 -0.42 0.00 0.00 57.16 54.98 1u3u n GLU 107 Cb 0.07 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.37 1u3u n GLU 107 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1u3u s SER 108 N -1.95 2.63 0.00 1.62 1.04 -1.06 -5.06 113.70 110.92 1u3u s SER 108 Ca 0.33 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1u3u s SER 108 Cb 0.20 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1u3u s SER 108 CO 0.31 -0.39 0.01 -0.46 0.98 0.00 0.00 173.24 173.69 1u3u n ASN 109 N -0.57 0.00 -3.79 7.02 6.94 -1.26 -4.75 115.26 118.84 1u3u n ASN 109 Ca -0.05 -1.00 -0.42 0.00 -0.02 0.00 0.00 54.58 53.09 1u3u n ASN 109 Cb 0.64 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 1u3u n ASN 109 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1u3u n TYR 110 N 0.00 3.56 -1.53 -2.53 9.36 -1.26 -4.80 117.16 119.95 1u3u n TYR 110 Ca 0.00 -2.96 -0.46 0.00 3.32 0.00 0.00 57.90 57.80 1u3u n TYR 110 Cb 0.26 -2.51 -0.02 0.00 -0.63 0.00 0.00 39.34 36.43 1u3u n TYR 110 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1u3u n LEU 112 N 1.51 0.00 -0.73 0.00 4.77 -1.26 -1.72 117.00 119.57 1u3u n LEU 112 Ca 0.13 0.44 0.07 0.00 -0.03 0.00 0.00 56.01 56.61 1u3u n LEU 112 Cb 0.29 -0.44 0.21 0.00 -2.33 0.00 0.00 43.42 41.15 1u3u n LEU 112 CO 0.59 -0.29 0.67 0.29 -1.33 0.00 0.00 177.39 177.32 1u3u n LYS 113 N -1.44 1.92 -1.42 3.23 4.76 -1.26 -4.95 118.16 119.01 1u3u n LYS 113 Ca 0.03 -1.42 -0.32 0.00 -2.87 0.00 0.00 58.31 53.73 1u3u n LYS 113 Cb 0.11 -1.33 0.08 0.00 -1.84 0.00 0.00 35.03 32.05 1u3u n LYS 113 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1u3u s ASN 114 N -1.10 4.58 -0.34 4.39 2.20 -0.70 -4.85 114.94 119.13 1u3u s ASN 114 Ca 0.28 1.96 0.06 0.00 -0.94 0.00 0.00 52.86 54.22 1u3u s ASN 114 Cb 0.15 -2.54 0.45 0.00 -2.00 0.00 0.00 41.25 37.31 1u3u s ASN 114 CO 0.20 -1.98 1.21 -0.67 -2.94 0.00 0.00 177.10 172.91 1u3u n ASP 115 N -3.10 5.00 -0.09 3.54 2.03 -1.26 -4.78 116.55 117.89 1u3u n ASP 115 Ca 0.10 -3.75 -0.11 0.00 0.52 0.00 0.00 54.79 51.56 1u3u n ASP 115 Cb 0.52 -0.39 -0.13 0.00 -0.72 0.00 0.00 41.12 40.40 1u3u n ASP 115 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1u3u n LEU 116 N -0.67 0.87 0.20 -2.67 4.77 -1.26 -4.19 117.00 114.05 1u3u n LEU 116 Ca 0.44 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 56.29 1u3u n LEU 116 Cb 0.89 0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 42.02 1u3u n LEU 116 CO 0.40 0.57 0.26 1.23 -1.33 0.00 0.00 177.39 178.51 1u3u h GLY 117 N 2.97 -0.60 -6.67 -0.72 0.00 -2.00 -3.39 103.07 92.66 1u3u h GLY 117 Ca -0.49 0.22 -0.60 0.00 0.00 0.00 0.00 47.33 46.46 1u3u h GLY 117 CO -0.00 -0.22 -0.81 0.21 0.00 0.00 0.00 176.54 175.72 1u3u s ASN 118 N -4.50 2.84 0.21 0.19 3.04 -1.26 -5.11 114.94 110.35 1u3u s ASN 118 Ca -0.08 -3.31 -0.32 0.00 0.04 0.00 0.00 52.86 49.19 1u3u s ASN 118 Cb 0.01 -0.91 -0.14 0.00 -1.54 0.00 0.00 41.25 38.66 1u3u s ASN 118 CO 0.25 -0.15 1.27 -2.65 -3.04 0.00 0.00 177.10 172.78 1u3u n PRO 119 N 2.60 1.59 -0.05 0.43 -0.02 -1.26 -4.92 135.00 133.37 1u3u n PRO 119 Ca 0.24 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 62.31 1u3u n PRO 119 Cb 0.42 -2.13 -0.15 0.00 -0.02 0.00 0.00 33.50 31.61 1u3u n PRO 119 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1u3u n ARG 120 N 1.82 0.75 -2.72 -0.52 1.74 -1.26 -4.58 116.66 111.89 1u3u n ARG 120 Ca 0.13 -0.11 -0.11 0.00 -0.77 0.00 0.00 57.85 56.99 1u3u n ARG 120 Cb 0.28 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.26 1u3u n ARG 120 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u3u n GLY 121 N 1.56 0.15 3.41 -0.13 0.00 -1.26 -4.78 105.19 104.14 1u3u n GLY 121 Ca -0.16 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 1u3u n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u3u s THR 122 N -2.91 0.28 0.88 2.61 -4.23 -1.26 -0.60 115.64 110.41 1u3u s THR 122 Ca 0.18 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.58 1u3u s THR 122 Cb -0.08 -2.39 0.18 0.00 1.34 0.00 0.00 72.50 71.55 1u3u s THR 122 CO 0.22 0.00 1.22 -0.76 -0.54 0.00 0.00 174.62 174.76 1u3u s LEU 123 N -3.51 2.81 0.63 4.79 1.43 0.03 -4.50 118.68 120.37 1u3u s LEU 123 Ca 0.31 0.02 0.40 0.00 -1.03 0.00 0.00 54.13 53.83 1u3u s LEU 123 Cb 0.02 -2.14 2.16 0.00 0.03 0.00 0.00 46.19 46.26 1u3u s LEU 123 CO 0.21 -2.47 2.29 1.56 0.23 0.00 0.00 176.35 178.17 1u3u h GLN 124 N -1.28 0.00 -0.06 1.70 4.20 -1.91 -0.52 115.11 117.24 1u3u h GLN 124 Ca -0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1u3u h GLN 124 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1u3u h GLN 124 CO 0.38 0.01 0.00 -0.40 -0.67 0.00 0.00 178.83 178.14 1u3u n ASP 125 N -3.24 0.50 0.00 1.46 5.75 -1.26 -4.89 116.55 114.87 1u3u n ASP 125 Ca -0.03 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 1u3u n ASP 125 Cb 0.11 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1u3u n ASP 125 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u3u n GLY 126 N 0.83 0.51 3.51 6.12 0.00 -0.20 -5.04 105.19 110.92 1u3u n GLY 126 Ca 0.12 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1u3u n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u3u s THR 127 N -2.00 1.52 0.08 2.61 -4.23 -1.26 -4.84 115.64 107.53 1u3u s THR 127 Ca 0.00 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.56 1u3u s THR 127 Cb 0.00 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 1u3u s THR 127 CO 0.00 -0.03 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.80 1u3u s ARG 128 N -3.81 2.13 0.00 3.99 0.52 -1.26 -0.79 118.95 119.73 1u3u s ARG 128 Ca 0.35 -1.00 0.17 0.00 -0.52 0.00 0.00 55.73 54.73 1u3u s ARG 128 Cb 0.09 -2.29 0.08 0.00 0.52 0.00 0.00 34.95 33.35 1u3u s ARG 128 CO 0.16 0.52 0.97 0.54 0.02 0.00 0.00 175.30 177.51 1u3u n ARG 129 N 0.98 1.48 -4.42 3.54 5.12 -1.26 -4.99 116.66 117.10 1u3u n ARG 129 Ca -0.14 -1.25 -0.34 0.00 -1.93 0.00 0.00 57.85 54.19 1u3u n ARG 129 Cb 0.52 -1.31 -0.10 0.00 -1.16 0.00 0.00 32.46 30.42 1u3u n ARG 129 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1u3u s PHE 130 N -1.60 3.05 0.02 -1.55 0.08 -1.26 -1.03 117.98 115.70 1u3u s PHE 130 Ca 0.17 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.32 1u3u s PHE 130 Cb 0.14 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.85 1u3u s PHE 130 CO 0.29 0.42 -0.03 0.95 -0.10 0.00 0.00 175.22 176.74 1u3u s THR 131 N -0.93 0.15 -0.22 0.64 -4.23 -0.64 -1.59 115.64 108.82 1u3u s THR 131 Ca 0.15 -1.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.57 1u3u s THR 131 Cb -0.11 -0.39 0.09 0.00 1.34 0.00 0.00 72.50 73.42 1u3u s THR 131 CO 0.05 -0.53 0.51 0.00 -0.54 0.00 0.00 174.62 174.10 1u3u n ARG 133 N 4.89 -3.59 -0.99 0.00 1.74 -1.26 -0.88 116.66 116.57 1u3u n ARG 133 Ca -0.15 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 1u3u n ARG 133 Cb 0.53 -4.86 0.00 0.00 -1.02 0.00 0.00 32.46 27.11 1u3u n ARG 133 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u3u n GLY 134 N -1.75 0.44 3.28 -0.13 0.00 -1.26 -5.02 105.19 100.75 1u3u n GLY 134 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1u3u n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u3u s LYS 135 N -0.40 1.89 0.40 1.61 -0.14 -0.06 -5.12 119.74 117.93 1u3u s LYS 135 Ca 0.00 -0.89 -0.24 0.00 -1.36 0.00 0.00 55.97 53.48 1u3u s LYS 135 Cb 0.00 -1.86 -0.09 0.00 -1.68 0.00 0.00 37.83 34.20 1u3u s LYS 135 CO 0.00 0.51 1.07 -1.25 -0.76 0.00 0.00 175.35 174.92 1u3u s PRO 136 N -0.67 4.12 -0.06 -1.68 0.04 -1.26 -0.63 135.00 134.86 1u3u s PRO 136 Ca 0.09 1.58 0.06 0.00 0.04 0.00 0.00 61.00 62.76 1u3u s PRO 136 Cb -0.09 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 1u3u s PRO 136 CO -0.00 -0.19 -0.23 0.42 0.04 0.00 0.00 177.00 177.03 1u3u s ILE 137 N -1.61 1.91 0.62 0.56 -1.09 -0.62 -4.76 121.20 116.20 1u3u s ILE 137 Ca 0.58 -0.98 -0.15 0.00 -2.23 0.00 0.00 60.65 57.87 1u3u s ILE 137 Cb -0.24 -1.62 -0.03 0.00 -1.58 0.00 0.00 42.46 39.00 1u3u s ILE 137 CO 0.30 0.53 1.06 -1.00 -1.23 0.00 0.00 174.94 174.60 1u3u s HIS 138 N -0.07 2.98 0.61 3.97 3.76 -0.16 -4.23 115.29 122.16 1u3u s HIS 138 Ca -0.05 1.50 -0.03 0.00 -0.15 0.00 0.00 55.06 56.33 1u3u s HIS 138 Cb -0.14 -2.99 0.04 0.00 1.11 0.00 0.00 32.58 30.60 1u3u s HIS 138 CO 0.04 -1.17 0.88 -1.01 -0.85 0.00 0.00 174.74 172.63 1u3u s HIS 139 N -2.55 2.94 -0.06 1.40 3.76 0.23 -1.96 115.29 119.05 1u3u s HIS 139 Ca 0.63 0.26 -0.00 0.00 -0.15 0.00 0.00 55.06 55.79 1u3u s HIS 139 Cb -0.16 -2.92 0.03 0.00 1.11 0.00 0.00 32.58 30.64 1u3u s HIS 139 CO 0.40 -1.07 -0.02 0.12 -0.85 0.00 0.00 174.74 173.32 1u3u s PHE 140 N -2.98 0.75 -1.02 1.40 5.99 -1.23 -4.33 117.98 116.57 1u3u s PHE 140 Ca 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 56.93 57.28 1u3u s PHE 140 Cb -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 43.02 42.14 1u3u s PHE 140 CO 0.42 -0.29 0.00 1.28 -0.00 0.00 0.00 175.22 176.63 1u3u n LEU 141 N 4.69 -1.08 0.00 6.12 4.77 -1.26 -0.95 117.00 129.29 1u3u n LEU 141 Ca -0.15 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1u3u n LEU 141 Cb 0.50 -2.08 0.00 0.00 -2.33 0.00 0.00 43.42 39.51 1u3u n LEU 141 CO 0.16 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1u3u n GLY 142 N -0.76 0.34 0.28 -0.72 0.00 -1.26 -4.52 105.19 98.54 1u3u n GLY 142 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 1u3u n GLY 142 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u3u n THR 143 N -2.19 0.32 -3.86 2.61 -2.24 -0.12 -4.50 114.28 104.31 1u3u n THR 143 Ca 0.00 -0.11 -0.29 0.00 -2.27 0.00 0.00 64.05 61.38 1u3u n THR 143 Cb 0.12 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 1u3u n THR 143 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1u3u n SER 144 N -2.85 -4.59 -0.51 3.42 7.64 -0.97 -4.75 113.62 111.00 1u3u n SER 144 Ca -0.10 -1.05 0.13 0.00 1.01 0.00 0.00 58.87 58.87 1u3u n SER 144 Cb 0.60 -1.57 0.49 0.00 -1.01 0.00 0.00 64.21 62.71 1u3u n SER 144 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1u3u n THR 145 N -3.12 0.03 -1.30 0.44 -2.24 0.09 -4.21 114.28 103.97 1u3u n THR 145 Ca -0.28 -0.28 -0.22 0.00 -2.27 0.00 0.00 64.05 61.00 1u3u n THR 145 Cb 0.66 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 69.31 1u3u n THR 145 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1u3u n PHE 146 N 0.25 1.05 -3.71 4.78 0.99 -0.40 -4.80 117.46 115.61 1u3u n PHE 146 Ca 0.18 -1.91 -0.14 0.00 -0.00 0.00 0.00 57.45 55.58 1u3u n PHE 146 Cb 0.36 -1.60 -0.09 0.00 -1.00 0.00 0.00 39.48 37.15 1u3u n PHE 146 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1u3u s SER 147 N 1.22 -0.34 0.55 4.37 0.15 -1.26 -0.79 113.70 117.59 1u3u s SER 147 Ca 0.63 0.42 0.21 0.00 0.70 0.00 0.00 55.95 57.91 1u3u s SER 147 Cb 0.32 0.52 1.48 0.00 -1.71 0.00 0.00 66.02 66.63 1u3u s SER 147 CO -0.10 -0.38 2.19 1.56 1.20 0.00 0.00 173.24 177.71 1u3u h GLN 148 N 4.22 0.00 -3.62 5.44 4.20 -1.51 -3.41 115.11 120.43 1u3u h GLN 148 Ca -0.28 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.20 1u3u h GLN 148 Cb 1.17 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.67 1u3u h GLN 148 CO 0.35 0.00 -0.68 0.71 -0.67 0.00 0.00 178.83 178.54 1u3u s TYR 149 N -4.90 -0.04 0.08 2.96 2.02 -1.26 -1.16 117.35 115.04 1u3u s TYR 149 Ca -0.05 0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.77 1u3u s TYR 149 Cb 0.16 -0.01 -0.04 0.00 -0.40 0.00 0.00 41.96 41.67 1u3u s TYR 149 CO 0.62 -0.03 -0.05 -0.08 -1.57 0.00 0.00 175.55 174.44 1u3u s THR 150 N 0.13 0.50 -0.12 -0.71 -1.32 -0.83 -4.98 115.64 108.32 1u3u s THR 150 Ca -0.01 -1.83 0.02 0.00 -1.21 0.00 0.00 61.69 58.65 1u3u s THR 150 Cb -0.02 -1.55 -0.01 0.00 -1.51 0.00 0.00 72.50 69.41 1u3u s THR 150 CO -0.00 -0.89 -0.17 -0.69 -2.21 0.00 0.00 174.62 170.65 1u3u s VAL 151 N -3.60 2.67 0.07 5.08 1.01 -1.26 -0.85 120.40 123.53 1u3u s VAL 151 Ca 0.09 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1u3u s VAL 151 Cb 0.05 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1u3u s VAL 151 CO -0.06 0.54 -0.12 -0.69 0.00 0.00 0.00 175.10 174.77 1u3u s VAL 152 N 0.32 0.94 0.37 2.92 1.01 0.17 -4.83 120.40 121.30 1u3u s VAL 152 Ca -0.13 -1.33 -0.27 0.00 0.00 0.00 0.00 61.98 60.24 1u3u s VAL 152 Cb -0.17 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.09 1u3u s VAL 152 CO 0.07 -0.34 1.29 -1.81 0.00 0.00 0.00 175.10 174.31 1u3u s ASP 153 N -1.87 6.56 0.29 3.32 1.01 -1.26 -0.33 116.67 124.39 1u3u s ASP 153 Ca -0.02 2.63 0.04 0.00 0.71 0.00 0.00 52.55 55.91 1u3u s ASP 153 Cb -0.08 -2.64 0.64 0.00 1.01 0.00 0.00 42.92 41.85 1u3u s ASP 153 CO 0.01 -0.67 1.81 -0.08 0.21 0.00 0.00 175.17 176.45 1u3u h GLU 154 N 3.02 0.86 0.00 8.23 4.81 -1.40 0.53 114.58 130.63 1u3u h GLU 154 Ca -0.49 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1u3u h GLU 154 Cb 1.24 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1u3u h GLU 154 CO 0.64 0.57 0.00 0.27 -0.73 0.00 0.00 179.01 179.76 1u3u n ASN 155 N -4.67 0.00 -0.23 1.04 0.23 -1.26 -1.77 115.26 108.60 1u3u n ASN 155 Ca 0.21 -0.89 0.08 0.00 -0.53 0.00 0.00 54.58 53.45 1u3u n ASN 155 Cb 0.45 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.30 1u3u n ASN 155 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u3u n ALA 156 N -0.83 2.54 -3.75 -2.53 0.00 0.17 -0.83 120.51 115.28 1u3u n ALA 156 Ca 0.11 -2.68 -0.25 0.00 0.00 0.00 0.00 53.44 50.62 1u3u n ALA 156 Cb 0.05 -0.39 -0.17 0.00 0.00 0.00 0.00 19.45 18.94 1u3u n ALA 156 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u3u s VAL 157 N -2.75 0.91 -0.16 0.00 1.01 -0.73 -0.06 120.40 118.63 1u3u s VAL 157 Ca 0.32 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1u3u s VAL 157 Cb 0.29 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1u3u s VAL 157 CO 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 175.10 175.41 1u3u s ALA 158 N 1.41 3.04 0.10 5.51 0.00 -0.29 -4.97 121.76 126.56 1u3u s ALA 158 Ca -0.01 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 1u3u s ALA 158 Cb -0.13 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 1u3u s ALA 158 CO -0.04 0.21 0.99 0.21 0.00 0.00 0.00 175.76 177.13 1u3u s LYS 159 N 0.36 4.66 0.39 0.00 2.20 -1.26 -1.16 119.74 124.91 1u3u s LYS 159 Ca -0.03 1.49 0.04 0.00 -0.36 0.00 0.00 55.97 57.11 1u3u s LYS 159 Cb -0.14 -3.38 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 1u3u s LYS 159 CO 0.03 0.14 0.05 0.96 -0.36 0.00 0.00 175.35 176.16 1u3u s ILE 160 N 0.17 1.33 -0.07 5.43 -4.36 -0.68 -4.64 121.20 118.37 1u3u s ILE 160 Ca 0.48 -2.00 -0.38 0.00 -0.26 0.00 0.00 60.65 58.49 1u3u s ILE 160 Cb -0.24 -2.70 -0.16 0.00 1.25 0.00 0.00 42.46 40.61 1u3u s ILE 160 CO 0.30 0.00 1.55 -0.67 0.24 0.00 0.00 174.94 176.36 1u3u n ASP 161 N -0.94 2.10 0.32 4.36 4.64 -1.26 -4.50 116.55 121.27 1u3u n ASP 161 Ca -0.06 1.09 0.20 0.00 -1.38 0.00 0.00 54.79 54.64 1u3u n ASP 161 Cb 0.67 -1.19 1.09 0.00 -1.04 0.00 0.00 41.12 40.65 1u3u n ASP 161 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1u3u h ALA 162 N 5.95 1.18 -0.41 -1.67 0.00 -1.99 -1.49 119.26 120.84 1u3u h ALA 162 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1u3u h ALA 162 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1u3u h ALA 162 CO 0.87 0.01 0.00 0.00 0.00 0.00 0.00 179.25 180.12 1u3u n ALA 163 N -2.17 2.44 -1.83 0.00 0.00 -1.26 -4.94 120.51 112.76 1u3u n ALA 163 Ca -0.03 -0.84 -0.41 0.00 0.00 0.00 0.00 53.44 52.16 1u3u n ALA 163 Cb 0.09 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 1u3u n ALA 163 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1u3u s SER 164 N -1.23 6.65 -0.76 0.00 0.01 -0.56 -4.93 113.70 112.88 1u3u s SER 164 Ca 0.35 2.72 -0.24 0.00 1.31 0.00 0.00 55.95 60.09 1u3u s SER 164 Cb 0.19 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.83 1u3u s SER 164 CO 0.26 -0.67 1.19 -2.16 0.41 0.00 0.00 173.24 172.27 1u3u s PRO 165 N -1.05 3.25 0.52 12.44 0.04 -1.26 -4.88 135.00 144.06 1u3u s PRO 165 Ca 0.55 -0.66 0.22 0.00 0.04 0.00 0.00 61.00 61.16 1u3u s PRO 165 Cb -0.42 -4.40 1.33 0.00 0.04 0.00 0.00 34.50 31.05 1u3u s PRO 165 CO 0.49 -2.02 2.02 -0.07 0.04 0.00 0.00 177.00 177.46 1u3u h LEU 166 N 12.27 0.04 -0.47 -3.56 3.38 -1.97 -0.41 115.31 124.59 1u3u h LEU 166 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1u3u h LEU 166 Cb 1.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1u3u h LEU 166 CO 1.26 0.03 0.00 -1.84 0.09 0.00 0.00 178.44 177.97 1u3u n GLU 167 N -4.42 0.11 -0.09 1.13 0.00 -1.26 -2.67 120.64 113.44 1u3u n GLU 167 Ca 0.08 0.39 -0.18 0.00 0.00 0.00 0.00 57.16 57.44 1u3u n GLU 167 Cb 0.49 -1.72 -0.06 0.00 0.00 0.00 0.00 31.44 30.15 1u3u n GLU 167 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1u3u n LYS 168 N -1.93 0.42 0.05 3.44 4.76 -0.25 -4.69 118.16 119.96 1u3u n LYS 168 Ca 0.02 0.18 0.07 0.00 -2.87 0.00 0.00 58.31 55.72 1u3u n LYS 168 Cb 0.17 -1.21 0.33 0.00 -1.84 0.00 0.00 35.03 32.49 1u3u n LYS 168 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1u3u n VAL 169 N -3.98 1.13 0.02 -0.18 0.24 -0.68 -2.52 118.33 112.38 1u3u n VAL 169 Ca -0.33 0.34 0.17 0.00 -2.04 0.00 0.00 64.34 62.48 1u3u n VAL 169 Cb 0.69 -1.21 0.65 0.00 -1.47 0.00 0.00 33.84 32.50 1u3u n VAL 169 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u3u h LEU 171 N 0.07 0.00 -1.71 0.00 4.07 -1.81 0.17 115.31 116.09 1u3u h LEU 171 Ca 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 1u3u h LEU 171 Cb 0.79 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.53 1u3u h LEU 171 CO -0.02 0.07 -0.10 0.40 -1.08 0.00 0.00 178.44 177.71 1u3u h ILE 172 N 0.00 0.33 0.00 1.22 2.04 -1.30 -1.72 117.51 118.08 1u3u h ILE 172 Ca -0.00 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1u3u h ILE 172 Cb 0.15 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1u3u h ILE 172 CO 0.01 0.10 -0.04 1.23 0.00 0.00 0.00 178.15 179.44 1u3u h GLY 173 N 1.41 0.00 0.00 5.37 0.00 -1.03 -3.36 103.07 105.45 1u3u h GLY 173 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u3u h GLY 173 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1u3u h GLY 175 N 0.00 -0.37 0.75 0.00 0.00 -1.79 -0.57 103.07 101.09 1u3u h GLY 175 Ca 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1u3u h GLY 175 CO 0.00 -0.21 0.00 -2.75 0.00 0.00 0.00 176.54 173.59 1u3u h PHE 176 N -0.38 0.14 -0.68 5.60 3.04 -1.60 -1.90 116.94 121.17 1u3u h PHE 176 Ca 0.07 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.03 1u3u h PHE 176 Cb 0.48 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.91 1u3u h PHE 176 CO -0.30 0.38 0.42 0.66 -2.02 0.00 0.00 178.31 177.45 1u3u h SER 177 N -0.14 0.69 0.20 0.41 4.64 -1.70 0.02 113.55 117.67 1u3u h SER 177 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1u3u h SER 177 Cb 0.32 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1u3u h SER 177 CO 0.00 0.48 -0.10 0.74 -0.87 0.00 0.00 176.83 177.08 1u3u h THR 178 N 0.82 0.84 0.03 2.95 2.02 -1.09 0.00 112.91 118.49 1u3u h THR 178 Ca 0.27 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1u3u h THR 178 Cb 0.02 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1u3u h THR 178 CO -0.11 0.05 -0.01 1.23 0.37 0.00 0.00 175.52 177.04 1u3u h GLY 179 N -0.37 -0.04 0.98 2.16 0.00 -1.16 -0.85 103.07 103.78 1u3u h GLY 179 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1u3u h GLY 179 CO 0.05 -0.01 -0.04 -1.82 0.00 0.00 0.00 176.54 174.71 1u3u h TYR 180 N -0.28 -0.10 -0.05 5.60 5.03 -0.87 -2.64 116.97 123.66 1u3u h TYR 180 Ca -0.00 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1u3u h TYR 180 Cb 0.26 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 1u3u h TYR 180 CO 0.01 -0.04 -0.15 0.78 -1.32 0.00 0.00 178.16 177.44 1u3u h GLY 181 N -0.13 0.08 1.51 1.82 0.00 -0.99 -1.95 103.07 103.41 1u3u h GLY 181 Ca -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.32 1u3u h GLY 181 CO 0.02 0.04 0.24 1.76 0.00 0.00 0.00 176.54 178.60 1u3u h SER 182 N 0.07 0.27 0.00 0.19 0.02 -0.77 0.48 113.55 113.80 1u3u h SER 182 Ca 0.01 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1u3u h SER 182 Cb 0.30 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1u3u h SER 182 CO 0.02 0.18 -0.44 0.00 -1.14 0.00 0.00 176.83 175.45 1u3u h ALA 183 N 1.80 0.09 0.01 3.77 0.00 -1.39 -0.99 119.26 122.55 1u3u h ALA 183 Ca 0.15 -0.75 -0.24 0.00 0.00 0.00 0.00 54.91 54.07 1u3u h ALA 183 Cb 0.21 0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.28 1u3u h ALA 183 CO -0.03 0.25 -0.96 0.28 0.00 0.00 0.00 179.25 178.79 1u3u h VAL 184 N -0.99 1.31 0.02 0.00 2.07 -1.21 -0.79 116.25 116.66 1u3u h VAL 184 Ca -0.12 -2.22 -0.39 0.00 0.82 0.00 0.00 66.70 64.79 1u3u h VAL 184 Cb 1.11 2.45 -0.05 0.00 -1.52 0.00 0.00 31.29 33.27 1u3u h VAL 184 CO -0.07 0.68 -2.24 0.59 0.02 0.00 0.00 177.57 176.55 1u3u n ASN 185 N -3.93 1.98 -0.05 0.57 5.03 0.16 -3.99 115.26 115.04 1u3u n ASN 185 Ca -0.11 0.15 -0.00 0.00 0.87 0.00 0.00 54.58 55.49 1u3u n ASN 185 Cb 0.84 -0.70 -0.00 0.00 -1.02 0.00 0.00 39.78 38.90 1u3u n ASN 185 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1u3u h VAL 186 N -0.43 0.00 -0.08 2.41 2.07 -1.38 -3.38 116.25 115.47 1u3u h VAL 186 Ca -0.56 -0.92 -0.17 0.00 0.82 0.00 0.00 66.70 65.87 1u3u h VAL 186 Cb 1.76 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1u3u h VAL 186 CO -0.18 0.00 -0.68 0.00 0.02 0.00 0.00 177.57 176.73 1u3u h ALA 187 N -1.08 0.68 -5.48 1.67 0.00 -1.29 -3.48 119.26 110.28 1u3u h ALA 187 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 54.91 54.05 1u3u h ALA 187 Cb 0.04 -0.07 0.18 0.00 0.00 0.00 0.00 17.79 17.94 1u3u h ALA 187 CO 0.00 0.75 -0.81 1.63 0.00 0.00 0.00 179.25 180.83 1u3u n LYS 188 N -3.85 -4.09 -1.62 0.00 5.02 -0.40 -4.90 118.16 108.32 1u3u n LYS 188 Ca -0.04 0.85 -0.46 0.00 -2.02 0.00 0.00 58.31 56.64 1u3u n LYS 188 Cb 0.67 -5.78 -0.03 0.00 -0.02 0.00 0.00 35.03 29.87 1u3u n LYS 188 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1u3u n VAL 189 N -3.58 1.06 -3.95 -0.18 0.31 -0.61 -4.98 118.33 106.39 1u3u n VAL 189 Ca -0.16 -0.26 -0.31 0.00 -0.01 0.00 0.00 64.34 63.59 1u3u n VAL 189 Cb 0.64 -1.16 -0.05 0.00 -0.91 0.00 0.00 33.84 32.36 1u3u n VAL 189 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1u3u s THR 190 N -0.24 5.19 0.30 2.52 -4.23 -1.26 -4.86 115.64 113.05 1u3u s THR 190 Ca 0.69 -0.44 -0.30 0.00 -1.18 0.00 0.00 61.69 60.46 1u3u s THR 190 Cb -0.74 -3.50 -0.11 0.00 1.34 0.00 0.00 72.50 69.49 1u3u s THR 190 CO 0.52 0.17 1.53 -2.16 -0.54 0.00 0.00 174.62 174.15 1u3u s PRO 191 N -2.38 4.16 0.00 3.99 0.04 -1.21 -2.17 135.00 137.42 1u3u s PRO 191 Ca 0.32 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1u3u s PRO 191 Cb -0.13 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1u3u s PRO 191 CO 0.25 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1u3u n GLY 192 N 1.82 0.78 3.93 0.56 0.00 0.13 -4.91 105.19 107.50 1u3u n GLY 192 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1u3u n GLY 192 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u3u s SER 193 N -2.61 5.24 -0.11 1.61 1.04 -0.92 -4.29 113.70 113.66 1u3u s SER 193 Ca 0.00 0.52 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 1u3u s SER 193 Cb 0.00 -1.36 -0.04 0.00 0.10 0.00 0.00 66.02 64.72 1u3u s SER 193 CO 0.00 -1.29 0.04 0.42 0.98 0.00 0.00 173.24 173.39 1u3u s THR 194 N -3.06 4.64 0.09 2.02 -4.23 -1.26 0.09 115.64 113.93 1u3u s THR 194 Ca 0.57 -0.12 0.06 0.00 -1.18 0.00 0.00 61.69 61.01 1u3u s THR 194 Cb -0.11 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 1u3u s THR 194 CO 0.44 0.59 -0.15 0.00 -0.54 0.00 0.00 174.62 174.96 1u3u s ALA 196 N -1.63 1.00 -0.21 0.00 0.00 -0.06 -0.75 121.76 120.10 1u3u s ALA 196 Ca 0.03 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.75 1u3u s ALA 196 Cb -0.08 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.58 1u3u s ALA 196 CO 0.03 0.07 -0.14 0.08 0.00 0.00 0.00 175.76 175.79 1u3u s VAL 197 N 0.75 2.29 -0.34 0.00 1.01 0.07 -0.75 120.40 123.43 1u3u s VAL 197 Ca -0.13 -1.12 -0.19 0.00 0.00 0.00 0.00 61.98 60.54 1u3u s VAL 197 Cb -0.15 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 1u3u s VAL 197 CO 0.02 0.32 0.56 -0.36 0.00 0.00 0.00 175.10 175.64 1u3u s PHE 198 N 1.26 3.18 0.00 5.22 0.08 0.20 -0.42 117.98 127.50 1u3u s PHE 198 Ca 0.01 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.35 1u3u s PHE 198 Cb -0.16 -2.97 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 1u3u s PHE 198 CO -0.09 -0.54 0.00 0.41 -0.10 0.00 0.00 175.22 174.90 1u3u n GLY 199 N 4.70 1.89 2.43 4.36 0.00 -0.08 -0.14 105.19 118.34 1u3u n GLY 199 Ca -0.03 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 1u3u n GLY 199 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u3u n LEU 200 N 0.00 4.65 0.00 0.99 4.77 -1.26 -4.05 117.00 122.10 1u3u n LEU 200 Ca 0.00 -5.12 0.00 0.00 -0.03 0.00 0.00 56.01 50.86 1u3u n LEU 200 Cb 0.00 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1u3u n LEU 200 CO 0.00 2.20 0.00 0.61 -1.33 0.00 0.00 177.39 178.87 1u3u n GLY 201 N -0.50 0.69 0.36 -0.72 0.00 -1.26 -4.63 105.19 99.13 1u3u n GLY 201 Ca 0.39 -1.89 0.02 0.00 0.00 0.00 0.00 46.02 44.54 1u3u n GLY 201 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u3u h GLY 202 N 0.00 1.26 0.61 -0.02 0.00 -1.92 -0.45 103.07 102.56 1u3u h GLY 202 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 1u3u h GLY 202 CO 0.00 0.38 -0.22 -2.08 0.00 0.00 0.00 176.54 174.61 1u3u h VAL 203 N 1.10 1.44 -0.68 4.60 2.07 -1.93 -2.43 116.25 120.42 1u3u h VAL 203 Ca 0.35 -1.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.17 1u3u h VAL 203 Cb 0.03 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1u3u h VAL 203 CO -0.11 0.46 0.13 1.23 0.02 0.00 0.00 177.57 179.30 1u3u h GLY 204 N -0.25 1.20 1.92 2.17 0.00 -1.65 -0.71 103.07 105.75 1u3u h GLY 204 Ca -0.01 -0.78 -0.07 0.00 0.00 0.00 0.00 47.33 46.46 1u3u h GLY 204 CO 0.05 0.73 -0.31 1.41 0.00 0.00 0.00 176.54 178.41 1u3u h LEU 205 N 1.04 0.09 -0.88 3.11 3.38 -1.14 -0.72 115.31 120.18 1u3u h LEU 205 Ca 0.21 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1u3u h LEU 205 Cb 0.42 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1u3u h LEU 205 CO 0.01 0.40 -0.45 0.28 0.09 0.00 0.00 178.44 178.77 1u3u h SER 206 N 0.08 0.24 -0.37 -0.43 0.02 -0.83 -1.39 113.55 110.88 1u3u h SER 206 Ca 0.01 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 1u3u h SER 206 Cb 0.60 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1u3u h SER 206 CO 0.04 0.67 -0.20 0.00 -1.14 0.00 0.00 176.83 176.20 1u3u h ALA 207 N 1.34 0.83 -0.71 3.77 0.00 -0.19 -0.60 119.26 123.70 1u3u h ALA 207 Ca 0.01 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1u3u h ALA 207 Cb 0.88 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1u3u h ALA 207 CO 0.07 0.65 0.47 0.28 0.00 0.00 0.00 179.25 180.71 1u3u h VAL 208 N 0.75 1.16 -0.88 0.00 2.07 -0.79 -0.35 116.25 118.21 1u3u h VAL 208 Ca 0.11 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1u3u h VAL 208 Cb 0.73 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1u3u h VAL 208 CO 0.06 0.17 0.48 0.24 0.02 0.00 0.00 177.57 178.54 1u3u h MET 209 N 0.94 1.23 -0.61 1.57 2.86 -0.86 -1.68 114.93 118.39 1u3u h MET 209 Ca 0.27 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1u3u h MET 209 Cb -0.08 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.31 1u3u h MET 209 CO -0.07 0.90 0.21 0.78 1.06 0.00 0.00 176.91 179.79 1u3u h GLY 210 N 1.23 1.00 1.04 8.32 0.00 -0.43 -0.28 103.07 113.96 1u3u h GLY 210 Ca 0.31 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1u3u h GLY 210 CO -0.05 0.54 0.48 0.00 0.00 0.00 0.00 176.54 177.52 1u3u h LYS 212 N 1.25 0.53 -0.31 0.00 3.64 -1.02 -1.74 116.57 118.93 1u3u h LYS 212 Ca 0.31 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1u3u h LYS 212 Cb 0.03 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1u3u h LYS 212 CO -0.05 0.72 0.11 0.00 -2.27 0.00 0.00 179.45 177.96 1u3u h ALA 213 N 0.79 1.63 0.00 5.00 0.00 -0.69 -1.43 119.26 124.56 1u3u h ALA 213 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u3u h ALA 213 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1u3u h ALA 213 CO 0.02 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1u3u n ALA 214 N -2.48 2.25 -0.70 0.00 0.00 -0.17 -4.91 120.51 114.49 1u3u n ALA 214 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1u3u n ALA 214 Cb 0.14 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1u3u n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u3u n GLY 215 N 0.98 0.65 3.69 0.00 0.00 -0.54 -3.32 105.19 106.65 1u3u n GLY 215 Ca 0.10 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1u3u n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3u n ALA 216 N -0.19 1.22 0.10 4.61 0.00 -0.68 -0.69 120.51 124.87 1u3u n ALA 216 Ca 0.00 0.27 -0.15 0.00 0.00 0.00 0.00 53.44 53.56 1u3u n ALA 216 Cb 0.03 -2.25 -0.13 0.00 0.00 0.00 0.00 19.45 17.10 1u3u n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u3u h ALA 217 N 2.08 0.15 -3.83 0.00 0.00 -0.53 -3.43 119.26 113.70 1u3u h ALA 217 Ca -0.47 -0.87 -0.29 0.00 0.00 0.00 0.00 54.91 53.28 1u3u h ALA 217 Cb 1.30 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.79 1u3u h ALA 217 CO 0.60 0.99 -0.74 1.03 0.00 0.00 0.00 179.25 181.13 1u3u s ARG 218 N -2.71 0.25 -0.28 0.00 0.52 -1.07 -4.99 118.95 110.67 1u3u s ARG 218 Ca -0.03 -0.10 -0.03 0.00 -0.52 0.00 0.00 55.73 55.05 1u3u s ARG 218 Cb 0.08 -0.24 0.09 0.00 0.52 0.00 0.00 34.95 35.40 1u3u s ARG 218 CO 0.87 0.06 0.10 0.42 0.02 0.00 0.00 175.30 176.77 1u3u s ILE 219 N -0.05 0.42 -0.41 1.52 1.01 -1.26 -0.61 121.20 121.83 1u3u s ILE 219 Ca 0.01 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.51 1u3u s ILE 219 Cb -0.01 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.22 1u3u s ILE 219 CO -0.00 -0.60 0.55 -0.63 0.00 0.00 0.00 174.94 174.26 1u3u s ILE 220 N 1.86 4.96 -0.05 2.92 1.01 0.07 -0.47 121.20 131.50 1u3u s ILE 220 Ca 0.07 0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.56 1u3u s ILE 220 Cb -0.17 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1u3u s ILE 220 CO -0.26 -0.43 0.64 0.00 0.00 0.00 0.00 174.94 174.89 1u3u s ALA 221 N 2.50 3.40 -0.14 9.38 0.00 0.08 -0.75 121.76 136.24 1u3u s ALA 221 Ca 0.19 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1u3u s ALA 221 Cb -0.15 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.13 1u3u s ALA 221 CO 0.16 0.00 -0.20 0.08 0.00 0.00 0.00 175.76 175.80 1u3u s VAL 222 N 0.42 1.89 -0.09 0.00 1.01 0.44 -0.76 120.40 123.32 1u3u s VAL 222 Ca 0.34 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1u3u s VAL 222 Cb -0.18 -1.69 0.08 0.00 0.00 0.00 0.00 36.38 34.59 1u3u s VAL 222 CO 0.17 0.52 0.73 -0.62 0.00 0.00 0.00 175.10 175.90 1u3u s ASP 223 N 0.93 -0.63 0.00 3.32 2.15 -1.03 -0.91 116.67 120.51 1u3u s ASP 223 Ca -0.05 0.74 0.28 0.00 0.43 0.00 0.00 52.55 53.95 1u3u s ASP 223 Cb -0.15 0.60 1.06 0.00 -0.30 0.00 0.00 42.92 44.12 1u3u s ASP 223 CO -0.03 -0.53 1.79 2.30 -0.17 0.00 0.00 175.17 178.52 1u3u n ILE 224 N 1.07 0.00 -3.47 4.11 -5.35 -1.26 -4.06 119.36 110.40 1u3u n ILE 224 Ca -0.17 -0.01 -0.43 0.00 -0.27 0.00 0.00 62.75 61.87 1u3u n ILE 224 Cb 0.57 -0.25 -0.06 0.00 -1.74 0.00 0.00 39.64 38.16 1u3u n ILE 224 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1u3u s ASN 225 N -2.91 6.01 0.19 7.28 2.47 -1.26 -4.94 114.94 121.78 1u3u s ASN 225 Ca 0.16 -2.23 0.16 0.00 0.42 0.00 0.00 52.86 51.37 1u3u s ASN 225 Cb 0.19 -2.08 0.79 0.00 -1.45 0.00 0.00 41.25 38.69 1u3u s ASN 225 CO 0.57 -0.65 1.50 2.29 -3.72 0.00 0.00 177.10 177.08 1u3u n LYS 226 N 4.52 0.10 0.00 0.43 2.85 -1.26 -2.09 118.16 122.71 1u3u n LYS 226 Ca -0.01 0.50 0.08 0.00 -1.05 0.00 0.00 58.31 57.83 1u3u n LYS 226 Cb 0.42 -1.77 0.36 0.00 -0.65 0.00 0.00 35.03 33.38 1u3u n LYS 226 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1u3u n ASP 227 N -1.98 0.00 -0.04 -5.58 8.00 -1.26 -2.01 116.55 113.67 1u3u n ASP 227 Ca 0.00 0.35 0.12 0.00 0.71 0.00 0.00 54.79 55.97 1u3u n ASP 227 Cb 0.09 -0.43 0.18 0.00 -0.02 0.00 0.00 41.12 40.95 1u3u n ASP 227 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1u3u n LYS 228 N -1.43 0.12 -0.05 -1.24 4.76 -0.89 -4.40 118.16 115.04 1u3u n LYS 228 Ca 0.05 -0.08 -0.02 0.00 -2.87 0.00 0.00 58.31 55.39 1u3u n LYS 228 Cb 0.16 -1.50 0.24 0.00 -1.84 0.00 0.00 35.03 32.10 1u3u n LYS 228 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1u3u h PHE 229 N 0.20 0.68 -0.25 2.13 0.04 -1.59 -2.10 116.94 116.04 1u3u h PHE 229 Ca 0.00 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 1u3u h PHE 229 Cb 0.51 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1u3u h PHE 229 CO 0.00 0.63 0.09 0.00 -0.60 0.00 0.00 178.31 178.43 1u3u h ALA 230 N 1.42 0.32 -0.59 2.45 0.00 -1.79 -1.68 119.26 119.39 1u3u h ALA 230 Ca 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1u3u h ALA 230 Cb 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1u3u h ALA 230 CO 0.01 -0.07 0.14 0.87 0.00 0.00 0.00 179.25 180.19 1u3u h LYS 231 N 0.25 0.92 -0.44 0.00 1.79 -1.82 -0.85 116.57 116.41 1u3u h LYS 231 Ca 0.08 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1u3u h LYS 231 Cb 0.20 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1u3u h LYS 231 CO -0.01 0.83 0.29 0.00 -1.08 0.00 0.00 179.45 179.48 1u3u h ALA 232 N 1.26 0.56 -0.57 3.86 0.00 -1.09 -1.15 119.26 122.13 1u3u h ALA 232 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1u3u h ALA 232 Cb 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1u3u h ALA 232 CO 0.00 0.02 0.23 0.87 0.00 0.00 0.00 179.25 180.37 1u3u h LYS 233 N 0.60 0.86 -0.85 0.00 1.79 -0.97 0.78 116.57 118.77 1u3u h LYS 233 Ca 0.16 -0.16 0.07 0.00 -2.18 0.00 0.00 60.65 58.55 1u3u h LYS 233 Cb -0.05 -0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 30.40 1u3u h LYS 233 CO -0.03 0.74 0.56 1.49 -1.08 0.00 0.00 179.45 181.12 1u3u h GLU 234 N 0.79 0.89 -0.14 3.15 4.81 -0.70 -2.10 114.58 121.28 1u3u h GLU 234 Ca 0.19 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1u3u h GLU 234 Cb 0.20 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1u3u h GLU 234 CO -0.02 0.59 0.00 1.28 -0.73 0.00 0.00 179.01 180.13 1u3u n LEU 235 N -4.50 1.65 0.00 1.64 4.77 -0.48 -4.92 117.00 115.17 1u3u n LEU 235 Ca 0.13 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1u3u n LEU 235 Cb 0.24 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1u3u n LEU 235 CO 0.33 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1u3u n GLY 236 N 1.14 1.44 3.75 -0.72 0.00 -0.79 -4.11 105.19 105.91 1u3u n GLY 236 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1u3u n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3u n ALA 237 N 0.00 2.24 0.01 4.61 0.00 0.22 -4.67 120.51 122.91 1u3u n ALA 237 Ca 0.00 0.36 0.04 0.00 0.00 0.00 0.00 53.44 53.83 1u3u n ALA 237 Cb 0.00 -2.41 -0.11 0.00 0.00 0.00 0.00 19.45 16.93 1u3u n ALA 237 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u3u n THR 238 N 1.10 0.76 -3.78 0.00 -2.24 0.38 -4.46 114.28 106.04 1u3u n THR 238 Ca 0.05 -0.64 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 1u3u n THR 238 Cb 0.37 -0.39 -0.09 0.00 -2.10 0.00 0.00 70.33 68.12 1u3u n THR 238 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1u3u s GLU 239 N -3.10 0.56 -0.07 -0.78 2.02 -1.17 -4.99 118.70 111.17 1u3u s GLU 239 Ca -0.05 -0.10 0.01 0.00 0.02 0.00 0.00 54.97 54.85 1u3u s GLU 239 Cb 0.10 0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.60 1u3u s GLU 239 CO 0.84 -0.14 -0.08 0.00 0.02 0.00 0.00 175.26 175.90 1u3u s ILE 241 N 1.15 1.14 -0.29 0.00 -4.36 0.06 -4.97 121.20 113.94 1u3u s ILE 241 Ca -0.06 -1.03 -0.05 0.00 -0.26 0.00 0.00 60.65 59.24 1u3u s ILE 241 Cb -0.14 -1.04 0.02 0.00 1.25 0.00 0.00 42.46 42.55 1u3u s ILE 241 CO -0.02 -0.00 0.05 0.21 0.24 0.00 0.00 174.94 175.42 1u3u s ASN 242 N -1.19 4.94 0.51 4.36 3.84 -1.26 -2.45 114.94 123.70 1u3u s ASN 242 Ca 0.02 -0.81 0.28 0.00 0.21 0.00 0.00 52.86 52.56 1u3u s ASN 242 Cb -0.08 -1.82 1.39 0.00 -0.55 0.00 0.00 41.25 40.19 1u3u s ASN 242 CO 0.01 -0.19 1.87 -0.65 -2.79 0.00 0.00 177.10 175.35 1u3u h PRO 243 N 8.17 0.10 0.00 0.43 0.11 -1.95 -0.44 132.00 138.42 1u3u h PRO 243 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1u3u h PRO 243 Cb 1.12 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1u3u h PRO 243 CO 0.59 0.06 0.00 1.04 -0.21 0.00 0.00 178.00 179.49 1u3u n GLN 244 N -4.33 0.13 0.00 1.05 6.02 -1.26 -1.98 117.38 117.01 1u3u n GLN 244 Ca 0.19 0.48 0.13 0.00 -0.01 0.00 0.00 57.00 57.80 1u3u n GLN 244 Cb 0.92 -1.80 0.47 0.00 1.02 0.00 0.00 30.24 30.85 1u3u n GLN 244 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1u3u n ASP 245 N -2.05 0.21 -4.73 1.08 10.43 -0.17 -4.92 116.55 116.40 1u3u n ASP 245 Ca 0.01 0.20 -0.28 0.00 2.57 0.00 0.00 54.79 57.28 1u3u n ASP 245 Cb 0.13 -0.20 -0.07 0.00 1.84 0.00 0.00 41.12 42.82 1u3u n ASP 245 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1u3u s TYR 246 N -3.00 3.03 -0.17 1.24 1.51 -0.84 -5.02 117.35 114.10 1u3u s TYR 246 Ca 0.13 -0.04 0.21 0.00 -1.01 0.00 0.00 57.07 56.36 1u3u s TYR 246 Cb 0.18 -1.50 -0.11 0.00 -0.11 0.00 0.00 41.96 40.43 1u3u s TYR 246 CO 0.60 0.51 0.85 1.63 -1.11 0.00 0.00 175.55 178.03 1u3u n LYS 247 N 0.10 0.62 -4.16 -0.62 5.02 -1.26 -4.94 118.16 112.92 1u3u n LYS 247 Ca -0.09 0.07 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 1u3u n LYS 247 Cb 0.53 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 1u3u n LYS 247 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1u3u s LYS 248 N -3.29 2.73 0.27 1.97 -2.85 -1.26 -5.07 119.74 112.24 1u3u s LYS 248 Ca -0.03 -1.13 -0.30 0.00 -1.00 0.00 0.00 55.97 53.51 1u3u s LYS 248 Cb 0.10 -2.46 -0.14 0.00 -2.06 0.00 0.00 37.83 33.28 1u3u s LYS 248 CO 0.82 0.40 1.18 -2.30 0.10 0.00 0.00 175.35 175.56 1u3u n PRO 249 N -0.97 1.63 0.05 1.78 -0.02 -1.26 -4.82 135.00 131.39 1u3u n PRO 249 Ca -0.08 0.58 0.11 0.00 -2.02 0.00 0.00 63.50 62.09 1u3u n PRO 249 Cb 0.58 -2.08 0.56 0.00 -0.02 0.00 0.00 33.50 32.55 1u3u n PRO 249 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1u3u h ILE 250 N 2.46 0.93 -0.01 4.25 6.09 -1.97 -1.22 117.51 128.05 1u3u h ILE 250 Ca -0.43 -0.08 -0.07 0.00 -1.37 0.00 0.00 64.86 62.91 1u3u h ILE 250 Cb 1.31 0.67 -0.01 0.00 0.47 0.00 0.00 36.82 39.27 1u3u h ILE 250 CO 0.66 0.04 -0.32 0.06 -3.07 0.00 0.00 178.15 175.52 1u3u h GLN 251 N 0.24 0.01 -0.07 2.19 -0.00 -1.90 0.35 115.11 115.93 1u3u h GLN 251 Ca 0.17 -0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.62 1u3u h GLN 251 Cb 0.38 -0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.87 1u3u h GLN 251 CO -0.03 0.33 -0.74 0.93 -0.00 0.00 0.00 178.83 179.32 1u3u h GLU 252 N 0.01 0.62 -0.13 0.06 4.39 -1.59 -1.70 114.58 116.24 1u3u h GLU 252 Ca -0.00 -0.58 0.03 0.00 0.34 0.00 0.00 59.36 59.15 1u3u h GLU 252 Cb 0.57 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1u3u h GLU 252 CO 0.04 1.19 -0.04 0.28 -1.16 0.00 0.00 179.01 179.32 1u3u h VAL 253 N 0.26 0.84 -0.66 3.13 2.07 -1.08 -1.03 116.25 119.77 1u3u h VAL 253 Ca -0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1u3u h VAL 253 Cb 1.40 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1u3u h VAL 253 CO 0.15 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 178.10 1u3u h LEU 254 N -0.02 0.74 -0.78 2.57 3.38 -0.91 -1.96 115.31 118.33 1u3u h LEU 254 Ca 0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1u3u h LEU 254 Cb 0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1u3u h LEU 254 CO -0.15 0.53 0.34 0.11 0.09 0.00 0.00 178.44 179.37 1u3u h LYS 255 N 0.88 1.15 0.00 1.13 1.57 -1.07 -2.14 116.57 118.08 1u3u h LYS 255 Ca 0.24 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1u3u h LYS 255 Cb -0.08 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.03 1u3u h LYS 255 CO -0.06 0.91 0.00 0.93 -0.57 0.00 0.00 179.45 180.66 1u3u h GLU 256 N 1.12 0.00 0.00 3.15 5.08 -0.77 -0.84 114.58 122.32 1u3u h GLU 256 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1u3u h GLU 256 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1u3u h GLU 256 CO -0.03 0.00 -0.70 -1.33 -1.00 0.00 0.00 179.01 175.95 1u3u n MET 257 N -2.96 0.21 -2.22 2.33 2.81 -0.78 -4.46 117.12 112.05 1u3u n MET 257 Ca 0.01 0.04 -0.10 0.00 -1.81 0.00 0.00 57.70 55.83 1u3u n MET 257 Cb 0.29 -1.61 0.05 0.00 -0.71 0.00 0.00 33.22 31.24 1u3u n MET 257 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1u3u n THR 258 N -1.90 1.82 -4.00 2.03 -2.24 -0.76 -5.00 114.28 104.23 1u3u n THR 258 Ca 0.04 -3.40 -0.30 0.00 -2.27 0.00 0.00 64.05 58.11 1u3u n THR 258 Cb 0.41 0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1u3u n THR 258 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1u3u n ASP 259 N -0.61 -2.94 0.00 3.42 2.03 -1.15 -2.45 116.55 114.84 1u3u n ASP 259 Ca 0.24 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.64 1u3u n ASP 259 Cb 0.89 -3.35 0.00 0.00 -0.72 0.00 0.00 41.12 37.94 1u3u n ASP 259 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u3u n GLY 260 N -1.65 0.50 0.00 0.27 0.00 -0.39 -5.01 105.19 98.91 1u3u n GLY 260 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1u3u n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3u n GLY 261 N -1.79 4.33 3.85 -0.02 0.00 -1.02 -4.20 105.19 106.33 1u3u n GLY 261 Ca 0.00 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 1u3u n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u3u s VAL 262 N -2.09 3.78 0.17 1.61 -7.23 -0.70 -4.07 120.40 111.87 1u3u s VAL 262 Ca 0.00 0.58 0.04 0.00 -1.81 0.00 0.00 61.98 60.78 1u3u s VAL 262 Cb 0.00 -3.46 -0.14 0.00 0.56 0.00 0.00 36.38 33.34 1u3u s VAL 262 CO 0.00 -0.76 1.39 0.44 -0.31 0.00 0.00 175.10 175.87 1u3u h ASP 263 N -0.70 0.21 -3.28 4.85 5.19 -1.39 -0.41 116.42 120.89 1u3u h ASP 263 Ca -0.45 -0.17 -0.30 0.00 -0.62 0.00 0.00 57.03 55.49 1u3u h ASP 263 Cb 1.23 -0.07 -0.35 0.00 0.18 0.00 0.00 39.33 40.32 1u3u h ASP 263 CO 0.61 0.97 -0.67 -0.36 -3.12 0.00 0.00 179.24 176.67 1u3u s PHE 264 N -3.21 -0.08 0.09 4.55 0.40 -0.80 -1.00 117.98 117.93 1u3u s PHE 264 Ca -0.02 0.42 0.10 0.00 -0.60 0.00 0.00 56.93 56.83 1u3u s PHE 264 Cb 0.10 -0.27 -0.04 0.00 0.51 0.00 0.00 43.02 43.32 1u3u s PHE 264 CO 0.82 -0.20 -0.25 -1.54 0.70 0.00 0.00 175.22 174.75 1u3u s SER 265 N 1.84 3.40 -0.05 1.36 1.04 -0.16 -0.88 113.70 120.25 1u3u s SER 265 Ca -0.01 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.80 1u3u s SER 265 Cb -0.12 -0.33 0.02 0.00 0.10 0.00 0.00 66.02 65.69 1u3u s SER 265 CO -0.05 0.21 -0.09 -0.36 0.98 0.00 0.00 173.24 173.94 1u3u s PHE 266 N -0.98 1.14 -0.27 5.02 0.40 0.07 -0.60 117.98 122.77 1u3u s PHE 266 Ca 0.14 -0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 56.00 1u3u s PHE 266 Cb -0.10 -0.88 -0.03 0.00 0.51 0.00 0.00 43.02 42.51 1u3u s PHE 266 CO 0.05 -0.23 0.12 -2.00 0.70 0.00 0.00 175.22 173.87 1u3u s GLU 267 N 0.72 3.73 -0.39 0.44 -6.30 -0.65 -0.62 118.70 115.62 1u3u s GLU 267 Ca -0.13 -0.44 0.11 0.00 -2.50 0.00 0.00 54.97 52.01 1u3u s GLU 267 Cb -0.15 -3.47 0.42 0.00 0.00 0.00 0.00 34.13 30.93 1u3u s GLU 267 CO 0.02 -0.21 0.98 0.28 0.02 0.00 0.00 175.26 176.36 1u3u n VAL 268 N 4.98 1.57 0.06 3.70 0.31 0.80 -0.87 118.33 128.87 1u3u n VAL 268 Ca -0.15 -4.15 0.00 0.00 -0.01 0.00 0.00 64.34 60.02 1u3u n VAL 268 Cb 0.51 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 1u3u n VAL 268 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1u3u n ILE 269 N -0.19 0.34 0.00 2.52 5.41 -1.25 -4.53 119.36 121.65 1u3u n ILE 269 Ca 0.24 0.11 0.00 0.00 1.00 0.00 0.00 62.75 64.10 1u3u n ILE 269 Cb 0.70 -0.97 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 1u3u n ILE 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u3u n GLY 270 N 2.31 1.96 3.40 7.39 0.00 -1.26 -4.58 105.19 114.41 1u3u n GLY 270 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1u3u n GLY 270 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u3u s ARG 271 N -0.47 1.84 0.21 1.61 0.52 -1.26 -4.06 118.95 117.34 1u3u s ARG 271 Ca 0.00 -1.10 -0.07 0.00 -0.52 0.00 0.00 55.73 54.03 1u3u s ARG 271 Cb 0.00 -2.05 0.15 0.00 0.52 0.00 0.00 34.95 33.57 1u3u s ARG 271 CO 0.00 0.51 1.73 -0.07 0.02 0.00 0.00 175.30 177.50 1u3u h LEU 272 N 4.54 1.06 -0.83 2.53 3.38 -1.98 -1.41 115.31 122.59 1u3u h LEU 272 Ca -0.48 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.21 1u3u h LEU 272 Cb 1.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1u3u h LEU 272 CO 0.44 1.01 0.17 -2.24 0.09 0.00 0.00 178.44 177.91 1u3u h ASP 273 N 1.07 0.98 1.00 -0.43 3.04 -1.99 -1.34 116.42 118.74 1u3u h ASP 273 Ca 0.22 -0.19 -0.16 0.00 -3.24 0.00 0.00 57.03 53.66 1u3u h ASP 273 Cb 0.35 -0.26 -0.02 0.00 -1.04 0.00 0.00 39.33 38.36 1u3u h ASP 273 CO -0.00 0.94 -0.78 0.71 -2.04 0.00 0.00 179.24 178.06 1u3u h THR 274 N 0.99 1.44 -0.57 1.15 1.35 -1.97 -1.09 112.91 114.22 1u3u h THR 274 Ca 0.21 -2.79 -0.09 0.00 -0.55 0.00 0.00 66.41 63.19 1u3u h THR 274 Cb 0.34 2.56 -0.02 0.00 -1.73 0.00 0.00 68.15 69.29 1u3u h THR 274 CO -0.00 0.77 0.00 0.24 -0.25 0.00 0.00 175.52 176.28 1u3u h MET 275 N 0.00 0.98 0.02 4.72 2.86 -0.89 0.85 114.93 123.48 1u3u h MET 275 Ca -0.01 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1u3u h MET 275 Cb 1.49 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.06 1u3u h MET 275 CO 0.10 0.96 -0.01 1.98 1.06 0.00 0.00 176.91 181.01 1u3u h MET 276 N 0.90 -0.03 -0.78 1.72 -1.53 -1.11 -1.79 114.93 112.31 1u3u h MET 276 Ca 0.17 0.00 0.08 0.00 -3.44 0.00 0.00 59.70 56.51 1u3u h MET 276 Cb 0.52 0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.51 1u3u h MET 276 CO 0.03 0.28 0.45 0.00 0.14 0.00 0.00 176.91 177.80 1u3u h ALA 277 N 0.63 1.09 -0.57 0.39 0.00 -1.04 -0.27 119.26 119.50 1u3u h ALA 277 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1u3u h ALA 277 Cb 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1u3u h ALA 277 CO 0.00 0.10 0.30 1.03 0.00 0.00 0.00 179.25 180.69 1u3u h SER 278 N 0.78 0.72 -0.53 0.00 0.87 -0.74 -0.37 113.55 114.27 1u3u h SER 278 Ca 0.37 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.74 1u3u h SER 278 Cb 0.29 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1u3u h SER 278 CO -0.22 0.61 0.01 0.25 -0.53 0.00 0.00 176.83 176.95 1u3u h LEU 279 N 0.77 0.91 -1.22 2.23 5.85 -0.66 -3.03 115.31 120.16 1u3u h LEU 279 Ca 0.20 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 1u3u h LEU 279 Cb 0.06 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1u3u h LEU 279 CO -0.03 0.99 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.66 1u3u h LEU 280 N 0.81 0.00 0.00 2.25 3.38 -0.80 -3.07 115.31 117.88 1u3u h LEU 280 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1u3u h LEU 280 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1u3u h LEU 280 CO 0.02 0.33 -0.03 0.00 0.09 0.00 0.00 178.44 178.85 1u3u n HIS 283 N 0.35 1.76 0.27 0.00 -0.00 -0.16 -4.72 115.22 112.72 1u3u n HIS 283 Ca 0.00 0.58 0.15 0.00 0.46 0.00 0.00 57.72 58.91 1u3u n HIS 283 Cb 0.52 -2.36 0.77 0.00 -0.12 0.00 0.00 29.99 28.80 1u3u n HIS 283 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1u3u h GLU 284 N 3.19 0.00 0.00 1.57 4.11 -1.91 0.10 114.58 121.64 1u3u h GLU 284 Ca -0.43 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 58.74 1u3u h GLU 284 Cb 1.31 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.51 1u3u h GLU 284 CO 0.68 0.09 -2.26 0.00 0.07 0.00 0.00 179.01 177.59 1u3u n ALA 285 N -2.20 1.92 -1.05 1.06 0.00 -1.26 -2.83 120.51 116.15 1u3u n ALA 285 Ca -0.01 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1u3u n ALA 285 Cb 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1u3u n ALA 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u3u s GLY 287 N -0.26 2.10 -0.06 0.00 0.00 0.34 -4.83 107.32 104.61 1u3u s GLY 287 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.74 1u3u s GLY 287 CO 0.00 0.21 -0.13 -1.59 0.00 0.00 0.00 173.10 171.59 1u3u s THR 288 N -2.32 1.15 -0.09 0.90 2.01 -0.17 -1.71 115.64 115.41 1u3u s THR 288 Ca 0.55 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 62.06 1u3u s THR 288 Cb -0.10 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.38 1u3u s THR 288 CO 0.26 0.35 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.83 1u3u s SER 289 N 0.49 2.34 -0.17 3.53 0.15 0.13 -0.98 113.70 119.19 1u3u s SER 289 Ca -0.11 -0.41 -0.02 0.00 0.70 0.00 0.00 55.95 56.10 1u3u s SER 289 Cb -0.14 -1.07 -0.02 0.00 -1.71 0.00 0.00 66.02 63.08 1u3u s SER 289 CO 0.03 0.07 -0.08 -0.69 1.20 0.00 0.00 173.24 173.77 1u3u s VAL 290 N 0.64 3.39 -0.16 4.45 1.01 0.23 -1.08 120.40 128.87 1u3u s VAL 290 Ca -0.14 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 1u3u s VAL 290 Cb -0.16 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1u3u s VAL 290 CO 0.04 0.48 0.58 -0.63 0.00 0.00 0.00 175.10 175.58 1u3u s ILE 291 N 0.71 5.08 0.00 2.22 1.01 0.13 -1.63 121.20 128.72 1u3u s ILE 291 Ca -0.04 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.74 1u3u s ILE 291 Cb -0.15 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1u3u s ILE 291 CO 0.02 0.19 0.00 0.52 0.00 0.00 0.00 174.94 175.67 1u3u n VAL 292 N 4.29 0.00 -1.86 2.92 0.31 -0.05 -3.37 118.33 120.57 1u3u n VAL 292 Ca -0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.92 1u3u n VAL 292 Cb 0.51 -0.53 0.04 0.00 -0.91 0.00 0.00 33.84 32.95 1u3u n VAL 292 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1u3u s GLY 293 N -3.91 2.85 -0.24 2.92 0.00 -0.57 -4.93 107.32 103.45 1u3u s GLY 293 Ca 0.00 1.23 -0.22 0.00 0.00 0.00 0.00 44.72 45.72 1u3u s GLY 293 CO 0.00 1.70 0.72 0.14 0.00 0.00 0.00 173.10 175.66 1u3u s VAL 294 N -1.38 4.93 0.74 1.40 1.01 -1.26 -4.61 120.40 121.21 1u3u s VAL 294 Ca 0.74 1.34 -0.11 0.00 0.00 0.00 0.00 61.98 63.94 1u3u s VAL 294 Cb -0.37 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.02 1u3u s VAL 294 CO 0.43 -0.00 1.07 -2.16 0.00 0.00 0.00 175.10 174.44 1u3u s PRO 295 N 2.54 2.59 0.28 2.72 0.04 -1.26 -4.45 135.00 137.47 1u3u s PRO 295 Ca 0.30 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 1u3u s PRO 295 Cb -0.15 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 1u3u s PRO 295 CO 0.08 -1.31 1.31 -1.25 0.04 0.00 0.00 177.00 175.87 1u3u s PRO 296 N -5.08 4.38 -0.37 0.56 0.04 -1.26 -4.82 135.00 128.45 1u3u s PRO 296 Ca 0.59 2.15 -0.39 0.00 0.04 0.00 0.00 61.00 63.38 1u3u s PRO 296 Cb -0.14 -3.12 -0.17 0.00 0.04 0.00 0.00 34.50 31.11 1u3u s PRO 296 CO 0.55 -0.20 1.31 0.00 0.04 0.00 0.00 177.00 178.70 1u3u n ALA 297 N 1.50 -1.45 -1.56 8.56 0.00 0.08 -1.91 120.51 125.74 1u3u n ALA 297 Ca 0.02 0.44 -0.16 0.00 0.00 0.00 0.00 53.44 53.74 1u3u n ALA 297 Cb 0.42 -1.62 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 1u3u n ALA 297 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u3u n SER 298 N 3.13 -4.27 -4.86 0.00 7.64 -1.26 -4.97 113.62 109.02 1u3u n SER 298 Ca 0.25 0.37 -0.36 0.00 1.01 0.00 0.00 58.87 60.14 1u3u n SER 298 Cb -0.03 -3.86 -0.06 0.00 -1.01 0.00 0.00 64.21 59.25 1u3u n SER 298 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1u3u s GLN 299 N -3.52 3.71 0.16 1.43 -0.21 -0.80 -5.08 119.66 115.35 1u3u s GLN 299 Ca 0.00 0.14 0.09 0.00 0.02 0.00 0.00 55.36 55.60 1u3u s GLN 299 Cb 0.00 -3.13 -0.04 0.00 1.00 0.00 0.00 33.01 30.84 1u3u s GLN 299 CO 0.00 0.66 -0.10 -0.80 -2.12 0.00 0.00 175.29 172.94 1u3u s ASN 300 N -1.39 4.27 0.26 5.90 0.02 -1.26 -4.89 114.94 117.86 1u3u s ASN 300 Ca 0.25 -0.54 -0.02 0.00 -1.02 0.00 0.00 52.86 51.54 1u3u s ASN 300 Cb -0.14 -0.74 -0.04 0.00 0.02 0.00 0.00 41.25 40.34 1u3u s ASN 300 CO 0.14 0.12 0.48 -0.76 0.02 0.00 0.00 177.10 177.10 1u3u s LEU 301 N -2.68 4.12 -0.28 0.60 1.43 -1.26 -5.09 118.68 115.53 1u3u s LEU 301 Ca 0.24 0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1u3u s LEU 301 Cb -0.09 -3.32 0.05 0.00 0.03 0.00 0.00 46.19 42.86 1u3u s LEU 301 CO 0.15 -0.15 -0.04 -0.55 0.23 0.00 0.00 176.35 175.99 1u3u s SER 302 N -3.38 4.65 0.00 2.29 0.15 -1.26 -5.11 113.70 111.05 1u3u s SER 302 Ca 0.41 -1.19 0.05 0.00 0.70 0.00 0.00 55.95 55.91 1u3u s SER 302 Cb -0.11 -1.67 -0.01 0.00 -1.71 0.00 0.00 66.02 62.52 1u3u s SER 302 CO 0.31 -0.21 -0.15 0.27 1.20 0.00 0.00 173.24 174.65 1u3u s ILE 303 N 1.24 1.22 -0.14 6.45 -4.36 -1.26 -5.11 121.20 119.24 1u3u s ILE 303 Ca -0.05 -0.75 -0.26 0.00 -0.26 0.00 0.00 60.65 59.34 1u3u s ILE 303 Cb -0.19 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.47 1u3u s ILE 303 CO -0.03 0.27 0.85 0.21 0.24 0.00 0.00 174.94 176.49 1u3u s ASN 304 N -0.55 7.03 0.63 4.36 3.84 -1.26 -4.93 114.94 124.06 1u3u s ASN 304 Ca 0.05 1.26 0.32 0.00 0.21 0.00 0.00 52.86 54.70 1u3u s ASN 304 Cb -0.06 -2.47 1.73 0.00 -0.55 0.00 0.00 41.25 39.90 1u3u s ASN 304 CO -0.00 -0.37 2.04 -0.65 -2.79 0.00 0.00 177.10 175.33 1u3u h PRO 305 N 7.21 0.00 -0.03 0.43 0.11 -2.02 -0.76 132.00 136.93 1u3u h PRO 305 Ca -0.31 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.81 1u3u h PRO 305 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1u3u h PRO 305 CO 0.83 0.00 0.04 1.98 -0.21 0.00 0.00 178.00 180.64 1u3u h MET 306 N 0.00 0.00 0.00 1.05 4.05 -1.99 -0.94 114.93 117.11 1u3u h MET 306 Ca 0.06 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1u3u h MET 306 Cb 0.59 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1u3u h MET 306 CO -0.00 0.00 -0.04 -0.07 0.23 0.00 0.00 176.91 177.03 1u3u h LEU 307 N 0.00 0.00 0.04 3.39 3.38 -1.54 -2.93 115.31 117.65 1u3u h LEU 307 Ca 0.02 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.61 1u3u h LEU 307 Cb 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1u3u h LEU 307 CO -0.00 0.04 -2.26 0.18 0.09 0.00 0.00 178.44 176.50 1u3u n LEU 308 N -4.29 2.29 -0.10 1.67 4.77 -0.45 -4.25 117.00 116.63 1u3u n LEU 308 Ca -0.03 0.03 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 1u3u n LEU 308 Cb 0.13 -0.69 0.60 0.00 -2.33 0.00 0.00 43.42 41.13 1u3u n LEU 308 CO 0.33 0.81 1.20 0.25 -1.33 0.00 0.00 177.39 178.65 1u3u h LEU 309 N 0.02 0.20 -0.86 2.23 5.85 -1.11 -0.37 115.31 121.26 1u3u h LEU 309 Ca -0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1u3u h LEU 309 Cb 2.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.00 1u3u h LEU 309 CO -0.00 0.10 0.00 0.71 -0.34 0.00 0.00 178.44 178.91 1u3u h THR 310 N 0.21 0.00 0.00 1.05 1.35 -1.77 -3.45 112.91 110.30 1u3u h THR 310 Ca 0.33 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1u3u h THR 310 Cb 1.00 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1u3u h THR 310 CO -0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 1u3u n GLY 311 N -0.15 -0.30 3.83 5.82 0.00 -0.17 -4.31 105.19 109.91 1u3u n GLY 311 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1u3u n GLY 311 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u3u s ARG 312 N 0.00 3.43 -0.14 1.61 0.52 -1.06 -4.35 118.95 118.96 1u3u s ARG 312 Ca 0.00 0.96 0.01 0.00 -0.52 0.00 0.00 55.73 56.19 1u3u s ARG 312 Cb 0.00 -2.06 0.02 0.00 0.52 0.00 0.00 34.95 33.43 1u3u s ARG 312 CO 0.00 -0.71 -0.17 0.99 0.02 0.00 0.00 175.30 175.43 1u3u s THR 313 N -2.84 1.75 -0.17 0.02 2.01 -0.70 -4.82 115.64 110.89 1u3u s THR 313 Ca 0.59 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1u3u s THR 313 Cb -0.13 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.81 1u3u s THR 313 CO 0.45 0.49 -0.20 0.86 -0.69 0.00 0.00 174.62 175.53 1u3u s TRP 314 N 1.10 2.76 0.14 4.92 -0.00 -1.26 -0.69 118.94 125.91 1u3u s TRP 314 Ca -0.02 -1.52 -0.04 0.00 -0.00 0.00 0.00 56.10 54.52 1u3u s TRP 314 Cb -0.14 -1.90 -0.03 0.00 -0.00 0.00 0.00 33.47 31.40 1u3u s TRP 314 CO -0.05 -0.74 0.13 -1.59 -0.00 0.00 0.00 176.95 174.70 1u3u s LYS 315 N 1.16 1.01 0.20 5.86 -2.85 -0.24 -4.99 119.74 119.89 1u3u s LYS 315 Ca 0.02 -1.36 -0.03 0.00 -1.00 0.00 0.00 55.97 53.59 1u3u s LYS 315 Cb -0.14 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 35.89 1u3u s LYS 315 CO -0.09 -0.32 0.19 0.20 0.10 0.00 0.00 175.35 175.43 1u3u s GLY 316 N -3.03 1.20 -0.03 0.59 0.00 -1.26 0.19 107.32 104.99 1u3u s GLY 316 Ca 0.22 -1.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.14 1u3u s GLY 316 CO 0.02 -1.24 0.99 0.00 0.00 0.00 0.00 173.10 172.87 1u3u s ALA 317 N -4.12 -1.88 0.13 3.20 0.00 -1.22 -4.94 121.76 112.94 1u3u s ALA 317 Ca 0.34 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.38 1u3u s ALA 317 Cb 0.06 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1u3u s ALA 317 CO 0.10 -0.73 0.02 0.14 0.00 0.00 0.00 175.76 175.29 1u3u s VAL 318 N -2.94 3.96 -2.01 0.00 -7.23 -1.26 -4.67 120.40 106.25 1u3u s VAL 318 Ca 0.07 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1u3u s VAL 318 Cb -0.01 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.99 1u3u s VAL 318 CO -0.06 -0.00 0.00 -1.22 -0.31 0.00 0.00 175.10 173.50 1u3u n TYR 319 N 0.17 -0.43 -1.66 2.82 4.01 -1.26 -1.81 117.16 119.00 1u3u n TYR 319 Ca -0.10 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.47 1u3u n TYR 319 Cb 0.54 -3.63 -0.06 0.00 -0.31 0.00 0.00 39.34 35.87 1u3u n TYR 319 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u3u n GLY 320 N -0.63 1.29 3.16 2.72 0.00 -1.23 -2.28 105.19 108.22 1u3u n GLY 320 Ca -0.22 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1u3u n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3u n GLY 321 N -0.91 0.98 3.73 -0.02 0.00 -0.75 -3.71 105.19 104.51 1u3u n GLY 321 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1u3u n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u3u s PHE 322 N -3.48 3.43 -0.23 1.61 0.08 -0.96 -4.65 117.98 113.77 1u3u s PHE 322 Ca 0.00 1.37 -0.29 0.00 0.12 0.00 0.00 56.93 58.13 1u3u s PHE 322 Cb 0.00 -3.44 -0.02 0.00 -0.57 0.00 0.00 43.02 38.99 1u3u s PHE 322 CO 0.00 -1.26 1.54 0.15 -0.10 0.00 0.00 175.22 175.55 1u3u s LYS 323 N 0.14 3.83 0.15 0.44 1.02 -1.26 -4.85 119.74 119.22 1u3u s LYS 323 Ca 0.55 1.58 -0.24 0.00 0.02 0.00 0.00 55.97 57.87 1u3u s LYS 323 Cb -0.32 -4.00 0.02 0.00 -0.52 0.00 0.00 37.83 33.01 1u3u s LYS 323 CO 0.34 -1.24 1.61 0.66 -0.92 0.00 0.00 175.35 175.80 1u3u h SER 324 N 10.35 -1.01 -0.19 2.83 4.64 -1.84 0.94 113.55 129.28 1u3u h SER 324 Ca -0.32 0.16 -0.16 0.00 -0.47 0.00 0.00 61.79 61.00 1u3u h SER 324 Cb 1.14 0.45 -0.00 0.00 -0.31 0.00 0.00 62.40 63.68 1u3u h SER 324 CO 1.01 -0.33 -0.48 0.50 -0.87 0.00 0.00 176.83 176.65 1u3u h LYS 325 N -0.32 0.76 0.09 4.77 3.64 -1.87 -2.11 116.57 121.53 1u3u h LYS 325 Ca 0.13 -0.44 -0.27 0.00 -1.27 0.00 0.00 60.65 58.80 1u3u h LYS 325 Cb 0.53 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1u3u h LYS 325 CO -0.43 1.07 -1.16 0.93 -2.27 0.00 0.00 179.45 177.58 1u3u h GLU 326 N 0.60 0.41 -0.13 1.90 5.08 -1.96 -3.39 114.58 117.08 1u3u h GLU 326 Ca 0.03 -0.57 -0.18 0.00 -1.00 0.00 0.00 59.36 57.64 1u3u h GLU 326 Cb 1.06 0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.51 1u3u h GLU 326 CO 0.10 1.23 -0.63 0.78 -1.00 0.00 0.00 179.01 179.50 1u3u h GLY 327 N 1.09 0.73 1.00 -3.84 0.00 -0.77 -3.32 103.07 97.97 1u3u h GLY 327 Ca -0.14 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.18 1u3u h GLY 327 CO 0.20 0.91 0.33 -2.22 0.00 0.00 0.00 176.54 175.76 1u3u h ILE 328 N 0.33 1.13 -0.74 2.60 5.03 -1.57 -1.89 117.51 122.41 1u3u h ILE 328 Ca -0.04 -0.24 -0.02 0.00 -0.12 0.00 0.00 64.86 64.44 1u3u h ILE 328 Cb 1.26 0.39 -0.04 0.00 -3.03 0.00 0.00 36.82 35.41 1u3u h ILE 328 CO 0.13 0.13 0.39 -0.65 -0.68 0.00 0.00 178.15 177.47 1u3u h PRO 329 N 0.68 1.03 -0.67 2.37 0.11 -1.75 -0.81 132.00 132.95 1u3u h PRO 329 Ca 0.18 -0.12 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 1u3u h PRO 329 Cb -0.07 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 30.81 1u3u h PRO 329 CO -0.04 0.77 0.12 0.87 -0.21 0.00 0.00 178.00 179.51 1u3u h LYS 330 N 1.04 1.11 -0.73 1.05 1.57 -1.58 0.00 116.57 119.03 1u3u h LYS 330 Ca 0.26 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1u3u h LYS 330 Cb 0.05 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1u3u h LYS 330 CO -0.04 1.01 0.23 -0.07 -0.57 0.00 0.00 179.45 180.00 1u3u h LEU 331 N 1.03 1.05 -0.72 2.94 3.38 -0.83 -0.47 115.31 121.69 1u3u h LEU 331 Ca 0.21 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1u3u h LEU 331 Cb 0.42 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1u3u h LEU 331 CO 0.01 0.97 0.24 0.58 0.09 0.00 0.00 178.44 180.33 1u3u h VAL 332 N 1.08 1.26 -0.73 1.22 2.07 -0.79 -0.98 116.25 119.37 1u3u h VAL 332 Ca 0.24 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1u3u h VAL 332 Cb 0.30 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1u3u h VAL 332 CO -0.01 0.34 0.46 0.00 0.02 0.00 0.00 177.57 178.39 1u3u h ALA 333 N 1.11 0.92 -0.57 1.67 0.00 -0.44 -0.41 119.26 121.55 1u3u h ALA 333 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1u3u h ALA 333 Cb 0.28 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1u3u h ALA 333 CO -0.01 0.37 0.33 -0.44 0.00 0.00 0.00 179.25 179.50 1u3u h ASP 334 N 0.99 0.69 -0.38 0.00 3.45 -0.75 -2.23 116.42 118.19 1u3u h ASP 334 Ca 0.26 -0.07 0.01 0.00 0.43 0.00 0.00 57.03 57.67 1u3u h ASP 334 Cb -0.08 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.49 1u3u h ASP 334 CO -0.05 0.56 0.23 0.15 -1.57 0.00 0.00 179.24 178.55 1u3u h PHE 335 N 0.76 0.43 -0.12 4.55 3.04 -0.60 -0.33 116.94 124.67 1u3u h PHE 335 Ca 0.20 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 1u3u h PHE 335 Cb 0.01 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 1u3u h PHE 335 CO -0.02 0.25 -0.03 0.52 -2.02 0.00 0.00 178.31 177.01 1u3u h MET 336 N 0.46 0.18 -0.00 1.11 2.86 -0.79 -0.26 114.93 118.49 1u3u h MET 336 Ca 0.15 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1u3u h MET 336 Cb -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1u3u h MET 336 CO -0.06 0.23 -0.05 0.00 1.06 0.00 0.00 176.91 178.09 1u3u n ALA 337 N -2.50 2.67 -1.78 6.32 0.00 -0.87 -4.92 120.51 119.43 1u3u n ALA 337 Ca -0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 1u3u n ALA 337 Cb 0.18 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 1u3u n ALA 337 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1u3u n LYS 338 N -0.91 -0.43 0.23 0.00 5.02 -0.11 -4.94 118.16 117.03 1u3u n LYS 338 Ca 0.18 0.42 0.07 0.00 -2.02 0.00 0.00 58.31 56.96 1u3u n LYS 338 Cb 0.23 -4.21 0.56 0.00 -0.02 0.00 0.00 35.03 31.59 1u3u n LYS 338 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1u3u h LYS 339 N 0.00 0.00 -3.32 1.97 1.57 -1.26 -3.44 116.57 112.10 1u3u h LYS 339 Ca -0.13 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1u3u h LYS 339 Cb 0.85 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.02 1u3u h LYS 339 CO 0.16 0.15 -0.09 -0.59 -0.57 0.00 0.00 179.45 178.52 1u3u s PHE 340 N -4.61 -0.21 0.23 -1.35 -0.71 -1.26 -5.03 117.98 105.03 1u3u s PHE 340 Ca -0.04 -0.05 0.10 0.00 -1.04 0.00 0.00 56.93 55.91 1u3u s PHE 340 Cb 0.15 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 1u3u s PHE 340 CO 0.67 -0.67 -0.12 0.45 -1.34 0.00 0.00 175.22 174.22 1u3u s SER 341 N -2.62 4.06 0.00 1.98 0.15 -1.26 -4.67 113.70 111.34 1u3u s SER 341 Ca 0.01 -0.74 0.01 0.00 0.70 0.00 0.00 55.95 55.93 1u3u s SER 341 Cb 0.01 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 1u3u s SER 341 CO -0.10 0.06 0.33 0.18 1.20 0.00 0.00 173.24 174.92 1u3u n LEU 342 N -0.32 0.66 -0.28 3.45 4.77 -1.26 -4.78 117.00 119.24 1u3u n LEU 342 Ca -0.09 -0.79 0.05 0.00 -0.03 0.00 0.00 56.01 55.15 1u3u n LEU 342 Cb 0.57 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.85 1u3u n LEU 342 CO 0.36 0.16 1.11 0.44 -1.33 0.00 0.00 177.39 178.13 1u3u h ASP 343 N 0.14 0.56 0.15 -1.43 3.32 -1.96 -1.18 116.42 116.02 1u3u h ASP 343 Ca 0.00 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1u3u h ASP 343 Cb 0.04 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1u3u h ASP 343 CO 0.00 0.28 -0.08 0.00 -1.72 0.00 0.00 179.24 177.72 1u3u h ALA 344 N 1.50 1.57 0.00 3.45 0.00 -2.02 -2.31 119.26 121.45 1u3u h ALA 344 Ca 0.42 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1u3u h ALA 344 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1u3u h ALA 344 CO -0.31 0.10 -0.57 -0.07 0.00 0.00 0.00 179.25 178.40 1u3u h LEU 345 N 0.00 0.00 -8.10 0.00 3.38 -1.57 -3.42 115.31 105.61 1u3u h LEU 345 Ca -0.00 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 1u3u h LEU 345 Cb 0.18 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.72 1u3u h LEU 345 CO 0.01 0.46 0.17 -0.63 0.09 0.00 0.00 178.44 178.54 1u3u s ILE 346 N -2.99 4.93 -0.15 1.22 1.01 -0.87 -0.85 121.20 123.51 1u3u s ILE 346 Ca 0.03 -1.27 0.20 0.00 0.00 0.00 0.00 60.65 59.62 1u3u s ILE 346 Cb 0.07 -4.51 -0.15 0.00 0.01 0.00 0.00 42.46 37.89 1u3u s ILE 346 CO 0.75 -1.14 0.75 0.35 0.00 0.00 0.00 174.94 175.65 1u3u n THR 347 N 5.33 0.68 -3.83 2.92 -2.24 -0.79 -4.95 114.28 111.41 1u3u n THR 347 Ca -0.04 -0.60 -0.12 0.00 -2.27 0.00 0.00 64.05 61.02 1u3u n THR 347 Cb 0.43 -0.37 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 1u3u n THR 347 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1u3u s HIS 348 N -3.21 -0.11 -0.03 4.78 3.76 -1.19 -5.01 115.29 114.29 1u3u s HIS 348 Ca -0.04 0.24 0.04 0.00 -0.15 0.00 0.00 55.06 55.15 1u3u s HIS 348 Cb 0.10 0.03 -0.00 0.00 1.11 0.00 0.00 32.58 33.81 1u3u s HIS 348 CO 0.83 -0.19 -0.14 0.14 -0.85 0.00 0.00 174.74 174.53 1u3u s VAL 349 N -0.55 1.17 0.05 -0.90 -7.23 -1.26 -1.06 120.40 110.61 1u3u s VAL 349 Ca -0.06 -0.58 -0.12 0.00 -1.81 0.00 0.00 61.98 59.40 1u3u s VAL 349 Cb -0.04 -1.01 0.01 0.00 0.56 0.00 0.00 36.38 35.91 1u3u s VAL 349 CO 0.01 0.34 0.27 -0.76 -0.31 0.00 0.00 175.10 174.65 1u3u s LEU 350 N 0.02 1.03 0.55 1.32 1.43 -0.77 -4.96 118.68 117.31 1u3u s LEU 350 Ca -0.02 -0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 1u3u s LEU 350 Cb -0.09 1.24 -0.05 0.00 0.03 0.00 0.00 46.19 47.31 1u3u s LEU 350 CO 0.01 -0.61 1.09 -2.84 0.23 0.00 0.00 176.35 174.23 1u3u s PRO 351 N -2.62 3.40 0.41 1.29 0.02 -1.26 -1.15 135.00 135.09 1u3u s PRO 351 Ca -0.05 1.42 0.18 0.00 0.02 0.00 0.00 61.00 62.58 1u3u s PRO 351 Cb -0.01 -2.03 1.09 0.00 0.02 0.00 0.00 34.50 33.57 1u3u s PRO 351 CO -0.04 -0.78 1.83 0.35 -0.33 0.00 0.00 177.00 178.04 1u3u h PHE 352 N 0.98 0.57 0.00 6.54 3.04 -0.99 -0.18 116.94 126.91 1u3u h PHE 352 Ca -0.49 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.48 1u3u h PHE 352 Cb 1.24 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.58 1u3u h PHE 352 CO 0.55 0.13 -0.00 0.93 -2.02 0.00 0.00 178.31 177.89 1u3u h GLU 353 N 0.41 0.00 -0.91 1.11 3.07 -1.91 -1.12 114.58 115.24 1u3u h GLU 353 Ca 0.51 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.94 1u3u h GLU 353 Cb 1.27 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 28.93 1u3u h GLU 353 CO -0.21 0.00 0.53 1.63 -1.40 0.00 0.00 179.01 179.56 1u3u n LYS 354 N -3.12 2.65 -0.30 2.33 5.02 -0.08 -4.70 118.16 119.96 1u3u n LYS 354 Ca -0.03 -3.04 0.09 0.00 -2.02 0.00 0.00 58.31 53.31 1u3u n LYS 354 Cb 0.08 -2.18 0.25 0.00 -0.02 0.00 0.00 35.03 33.16 1u3u n LYS 354 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1u3u h ILE 355 N 1.47 0.66 -0.91 -0.18 2.10 -1.33 -1.24 117.51 118.08 1u3u h ILE 355 Ca 0.52 -0.19 0.03 0.00 1.08 0.00 0.00 64.86 66.30 1u3u h ILE 355 Cb 2.69 0.05 -0.05 0.00 -1.09 0.00 0.00 36.82 38.42 1u3u h ILE 355 CO 0.99 0.10 0.59 0.78 -1.08 0.00 0.00 178.15 179.53 1u3u h ASN 356 N 0.56 0.99 -0.08 2.19 2.35 -1.87 -0.78 115.58 118.95 1u3u h ASN 356 Ca 0.49 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 56.19 1u3u h ASN 356 Cb 0.77 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1u3u h ASN 356 CO -0.41 0.69 -0.04 -0.33 -1.65 0.00 0.00 177.43 175.69 1u3u h GLU 357 N 1.16 0.30 -0.59 0.81 5.08 -1.62 -0.48 114.58 119.25 1u3u h GLU 357 Ca 0.35 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1u3u h GLU 357 Cb -0.04 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1u3u h GLU 357 CO -0.11 0.37 0.10 0.78 -1.00 0.00 0.00 179.01 179.15 1u3u h GLY 358 N 0.66 1.03 1.91 -3.84 0.00 -0.63 -1.30 103.07 100.90 1u3u h GLY 358 Ca 0.07 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.59 1u3u h GLY 358 CO 0.01 0.61 -0.68 0.74 0.00 0.00 0.00 176.54 177.22 1u3u h PHE 359 N 0.90 0.12 -0.77 5.60 -1.00 -0.51 -2.59 116.94 118.69 1u3u h PHE 359 Ca 0.18 -0.05 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 1u3u h PHE 359 Cb 0.39 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 1u3u h PHE 359 CO 0.03 0.74 0.33 -0.44 -1.61 0.00 0.00 178.31 177.36 1u3u h ASP 360 N 0.06 1.04 -0.62 2.17 3.45 -0.67 -1.21 116.42 120.64 1u3u h ASP 360 Ca -0.01 -0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.28 1u3u h ASP 360 Cb 1.20 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.67 1u3u h ASP 360 CO 0.09 0.91 0.32 -0.07 -1.57 0.00 0.00 179.24 178.93 1u3u h LEU 361 N 1.10 0.78 -0.34 1.55 3.38 -1.08 -1.03 115.31 119.69 1u3u h LEU 361 Ca 0.26 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1u3u h LEU 361 Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1u3u h LEU 361 CO -0.03 0.67 0.20 0.25 0.09 0.00 0.00 178.44 179.62 1u3u h LEU 362 N 0.84 0.34 -1.05 1.67 5.85 -1.05 -2.72 115.31 119.19 1u3u h LEU 362 Ca 0.22 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1u3u h LEU 362 Cb 0.07 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1u3u h LEU 362 CO -0.03 0.25 0.08 0.45 -0.34 0.00 0.00 178.44 178.84 1u3u h HIS 363 N 0.42 0.79 0.00 1.25 3.86 -0.94 -2.89 115.15 117.63 1u3u h HIS 363 Ca 0.13 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1u3u h HIS 363 Cb -0.01 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.23 1u3u h HIS 363 CO -0.07 0.69 0.00 0.66 0.86 0.00 0.00 177.93 180.07 1u3u h SER 364 N 0.73 0.00 0.00 2.45 4.64 -0.90 -3.47 113.55 117.00 1u3u h SER 364 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1u3u h SER 364 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1u3u h SER 364 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1u3u n GLY 365 N 0.19 0.74 0.13 -0.77 0.00 -1.06 -4.92 105.19 99.50 1u3u n GLY 365 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 1u3u n GLY 365 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u3u h LYS 366 N 2.42 0.00 -6.19 1.61 1.57 -1.82 -3.47 116.57 110.69 1u3u h LYS 366 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1u3u h LYS 366 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 1u3u h LYS 366 CO 0.00 0.34 -0.56 -1.54 -0.57 0.00 0.00 179.45 177.12 1u3u s SER 367 N -6.10 5.54 0.00 0.86 1.04 -1.22 -5.02 113.70 108.80 1u3u s SER 367 Ca 0.01 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1u3u s SER 367 Cb 0.08 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.75 1u3u s SER 367 CO 0.77 0.07 0.00 -0.38 0.98 0.00 0.00 173.24 174.67 1u3u n ILE 368 N -0.36 0.00 -4.36 -1.02 5.41 -1.26 -4.84 119.36 112.92 1u3u n ILE 368 Ca -0.08 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.33 1u3u n ILE 368 Cb 0.55 -0.56 -0.13 0.00 -0.71 0.00 0.00 39.64 38.79 1u3u n ILE 368 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1u3u s ARG 369 N 0.00 3.57 -0.19 0.38 1.81 -0.03 -4.52 118.95 119.97 1u3u s ARG 369 Ca 0.00 -0.57 -0.09 0.00 -1.72 0.00 0.00 55.73 53.36 1u3u s ARG 369 Cb 0.00 -2.90 -0.04 0.00 -0.45 0.00 0.00 34.95 31.56 1u3u s ARG 369 CO 0.00 0.14 0.10 0.99 -0.68 0.00 0.00 175.30 175.85 1u3u s THR 370 N 0.60 5.07 -0.16 0.02 2.01 -1.26 -1.88 115.64 120.05 1u3u s THR 370 Ca -0.03 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 1u3u s THR 370 Cb -0.15 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1u3u s THR 370 CO 0.03 0.44 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.69 1u3u s VAL 371 N 0.43 4.06 -0.13 3.82 1.01 -0.22 -1.78 120.40 127.58 1u3u s VAL 371 Ca 0.05 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 1u3u s VAL 371 Cb -0.12 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1u3u s VAL 371 CO -0.00 0.49 0.19 -0.76 0.00 0.00 0.00 175.10 175.02 1u3u s LEU 372 N 0.36 4.33 -0.09 3.92 1.43 0.12 -1.84 118.68 126.91 1u3u s LEU 372 Ca -0.03 0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1u3u s LEU 372 Cb -0.14 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1u3u s LEU 372 CO 0.02 0.29 -0.06 0.42 0.23 0.00 0.00 176.35 177.26 1u3u s THR 373 N -0.46 3.78 -2.50 5.49 -4.23 -0.30 -1.43 115.64 115.99 1u3u s THR 373 Ca 0.14 -0.44 0.28 0.00 -1.18 0.00 0.00 61.69 60.50 1u3u s THR 373 Cb -0.12 -2.58 0.55 0.00 1.34 0.00 0.00 72.50 71.69 1u3u s THR 373 CO 0.04 0.57 1.75 0.49 -0.54 0.00 0.00 174.62 176.92