#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 2.46 -2.24 -1.26 -4.95 114.28 106.62 1u3u n THR 2 Ca 0.00 -0.14 -0.49 0.00 -2.27 0.00 0.00 64.05 61.14 1u3u n THR 2 Cb 0.00 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.40 0.66 -0.72 6.98 0.00 -1.26 -0.88 120.51 123.88 1u3u n ALA 3 Ca -0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1u3u n ALA 3 Cb 0.03 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.11 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 3.87 1.19 3.55 0.00 0.00 -1.26 -5.01 105.19 107.53 1u3u n GLY 4 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.14 1.93 0.19 1.61 1.02 -0.06 -4.86 119.74 119.42 1u3u s LYS 5 Ca 0.00 -1.68 -0.30 0.00 0.02 0.00 0.00 55.97 54.01 1u3u s LYS 5 Cb 0.00 -1.90 -0.08 0.00 -0.52 0.00 0.00 37.83 35.33 1u3u s LYS 5 CO 0.00 0.30 1.26 0.08 -0.92 0.00 0.00 175.35 176.07 1u3u s VAL 6 N -2.47 3.39 -0.14 3.17 1.01 -1.26 -4.06 120.40 120.05 1u3u s VAL 6 Ca 0.31 1.14 -0.07 0.00 0.00 0.00 0.00 61.98 63.37 1u3u s VAL 6 Cb -0.04 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1u3u s VAL 6 CO 0.17 0.17 0.10 -0.63 0.00 0.00 0.00 175.10 174.91 1u3u s ILE 7 N 0.10 5.14 -0.24 2.22 1.01 -0.17 -4.92 121.20 124.33 1u3u s ILE 7 Ca 0.55 0.08 -0.09 0.00 0.00 0.00 0.00 60.65 61.19 1u3u s ILE 7 Cb -0.35 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1u3u s ILE 7 CO 0.37 0.56 0.11 -0.75 0.00 0.00 0.00 174.94 175.23 1u3u s LYS 8 N -0.51 3.84 0.31 2.79 2.47 -1.26 -0.43 119.74 126.95 1u3u s LYS 8 Ca 0.11 -0.39 -0.05 0.00 -1.56 0.00 0.00 55.97 54.09 1u3u s LYS 8 Cb -0.12 -3.41 0.02 0.00 -1.46 0.00 0.00 37.83 32.86 1u3u s LYS 8 CO 0.02 -0.06 0.49 0.00 0.16 0.00 0.00 175.35 175.95 1u3u s LYS 10 N -2.50 3.66 0.12 0.00 -0.14 -1.26 -0.20 119.74 119.42 1u3u s LYS 10 Ca 0.21 0.02 -0.12 0.00 -1.36 0.00 0.00 55.97 54.73 1u3u s LYS 10 Cb -0.02 -3.02 0.01 0.00 -1.68 0.00 0.00 37.83 33.13 1u3u s LYS 10 CO 0.15 0.59 0.30 0.00 -0.76 0.00 0.00 175.35 175.64 1u3u s ALA 11 N -1.38 -0.52 -0.39 5.17 0.00 -0.66 -1.06 121.76 122.92 1u3u s ALA 11 Ca 0.31 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 1u3u s ALA 11 Cb -0.13 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1u3u s ALA 11 CO 0.18 -0.60 0.28 0.00 0.00 0.00 0.00 175.76 175.63 1u3u s ALA 12 N -3.85 3.49 -0.13 0.00 0.00 -0.12 -0.91 121.76 120.23 1u3u s ALA 12 Ca 0.06 -1.63 -0.05 0.00 0.00 0.00 0.00 51.96 50.34 1u3u s ALA 12 Cb 0.03 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1u3u s ALA 12 CO -0.10 -1.33 0.06 0.08 0.00 0.00 0.00 175.76 174.47 1u3u s VAL 13 N 1.69 4.77 -0.37 0.00 1.01 -0.07 -4.36 120.40 123.07 1u3u s VAL 13 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 1u3u s VAL 13 Cb -0.19 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.14 1u3u s VAL 13 CO 0.10 0.55 0.20 -0.22 0.00 0.00 0.00 175.10 175.74 1u3u s LEU 14 N -0.42 4.71 0.00 3.92 2.96 -0.17 -1.16 118.68 128.53 1u3u s LEU 14 Ca 0.09 -1.01 0.08 0.00 -0.22 0.00 0.00 54.13 53.07 1u3u s LEU 14 Cb -0.12 -2.02 -0.23 0.00 0.50 0.00 0.00 46.19 44.32 1u3u s LEU 14 CO 0.02 -0.39 0.83 -0.50 -1.32 0.00 0.00 176.35 175.00 1u3u h TRP 15 N 8.43 0.09 -3.55 5.38 4.06 -1.87 -1.62 115.95 126.86 1u3u h TRP 15 Ca -0.25 -0.06 -0.11 0.00 2.06 0.00 0.00 58.89 60.52 1u3u h TRP 15 Cb 1.10 -0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 29.09 1u3u h TRP 15 CO 0.57 1.09 -0.38 -1.21 -3.56 0.00 0.00 178.44 174.95 1u3u s GLU 16 N -2.63 0.70 0.65 0.49 2.02 -1.26 -4.52 118.70 114.16 1u3u s GLU 16 Ca -0.05 -0.63 -0.15 0.00 0.02 0.00 0.00 54.97 54.16 1u3u s GLU 16 Cb 0.08 0.29 -0.00 0.00 0.10 0.00 0.00 34.13 34.60 1u3u s GLU 16 CO 0.82 -0.20 1.12 0.14 0.02 0.00 0.00 175.26 177.16 1u3u s VAL 17 N -2.58 3.19 -1.82 2.63 -7.23 -1.26 -3.52 120.40 109.81 1u3u s VAL 17 Ca -0.05 0.57 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 1u3u s VAL 17 Cb -0.01 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1u3u s VAL 17 CO -0.04 -0.32 0.00 0.29 -0.31 0.00 0.00 175.10 174.72 1u3u n LYS 18 N -2.31 -1.53 -4.26 4.82 4.76 0.14 -4.99 118.16 114.80 1u3u n LYS 18 Ca 0.11 1.03 -0.20 0.00 -2.87 0.00 0.00 58.31 56.38 1u3u n LYS 18 Cb 0.52 -5.56 -0.11 0.00 -1.84 0.00 0.00 35.03 28.03 1u3u n LYS 18 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1u3u s LYS 19 N -4.61 1.07 0.81 1.97 -0.14 -1.23 -5.10 119.74 112.51 1u3u s LYS 19 Ca 0.00 -1.24 -0.11 0.00 -1.36 0.00 0.00 55.97 53.26 1u3u s LYS 19 Cb 0.00 -1.05 0.08 0.00 -1.68 0.00 0.00 37.83 35.19 1u3u s LYS 19 CO 0.00 0.21 1.13 -2.14 -0.76 0.00 0.00 175.35 173.79 1u3u s PRO 20 N -2.52 1.82 0.48 -1.68 0.02 -1.26 -4.95 135.00 126.91 1u3u s PRO 20 Ca 0.09 1.42 -0.21 0.00 0.02 0.00 0.00 61.00 62.32 1u3u s PRO 20 Cb -0.06 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 1u3u s PRO 20 CO 0.04 -2.01 1.08 -0.06 -0.33 0.00 0.00 177.00 175.72 1u3u s PHE 21 N -2.62 2.95 -0.30 6.54 0.40 -1.26 -4.81 117.98 118.88 1u3u s PHE 21 Ca 0.66 1.58 -0.06 0.00 -0.60 0.00 0.00 56.93 58.50 1u3u s PHE 21 Cb -0.21 -3.18 0.02 0.00 0.51 0.00 0.00 43.02 40.15 1u3u s PHE 21 CO 0.54 -1.08 0.07 0.45 0.70 0.00 0.00 175.22 175.90 1u3u s SER 22 N -1.74 5.07 -0.35 1.36 0.15 -0.31 -4.91 113.70 112.98 1u3u s SER 22 Ca 0.66 -0.81 -0.29 0.00 0.70 0.00 0.00 55.95 56.21 1u3u s SER 22 Cb -0.21 -1.85 0.01 0.00 -1.71 0.00 0.00 66.02 62.25 1u3u s SER 22 CO 0.26 -0.21 1.26 -0.63 1.20 0.00 0.00 173.24 175.12 1u3u s ILE 23 N 1.46 4.17 0.25 6.45 -1.09 -1.26 -0.89 121.20 130.29 1u3u s ILE 23 Ca 0.01 1.29 0.02 0.00 -2.23 0.00 0.00 60.65 59.75 1u3u s ILE 23 Cb -0.18 -4.27 -0.05 0.00 -1.58 0.00 0.00 42.46 36.38 1u3u s ILE 23 CO 0.02 -0.60 0.05 -1.61 -1.23 0.00 0.00 174.94 171.57 1u3u s GLU 24 N 4.25 1.40 -0.04 2.79 2.02 -0.09 -4.95 118.70 124.08 1u3u s GLU 24 Ca 0.54 -1.74 -0.25 0.00 0.02 0.00 0.00 54.97 53.54 1u3u s GLU 24 Cb -0.14 -0.46 -0.04 0.00 0.10 0.00 0.00 34.13 33.60 1u3u s GLU 24 CO 0.25 -0.21 0.75 -0.51 0.02 0.00 0.00 175.26 175.56 1u3u s ASP 25 N -3.33 7.07 0.28 -0.19 -0.00 -1.26 -1.66 116.67 117.58 1u3u s ASP 25 Ca 0.34 1.29 0.04 0.00 -0.00 0.00 0.00 52.55 54.21 1u3u s ASP 25 Cb 0.07 -2.44 -0.06 0.00 -0.00 0.00 0.00 42.92 40.49 1u3u s ASP 25 CO 0.12 -0.12 0.03 0.68 -0.00 0.00 0.00 175.17 175.87 1u3u s VAL 26 N 0.75 1.13 -0.04 -1.27 -7.23 0.72 -4.54 120.40 109.91 1u3u s VAL 26 Ca 0.40 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.61 1u3u s VAL 26 Cb -0.18 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 1u3u s VAL 26 CO 0.20 -0.15 -0.25 -1.61 -0.31 0.00 0.00 175.10 172.99 1u3u s GLU 27 N -3.88 2.32 -0.20 4.82 8.01 0.03 -1.44 118.70 128.37 1u3u s GLU 27 Ca 0.33 -0.89 0.02 0.00 0.01 0.00 0.00 54.97 54.43 1u3u s GLU 27 Cb 0.07 -2.07 0.03 0.00 -4.31 0.00 0.00 34.13 27.86 1u3u s GLU 27 CO 0.13 0.44 -0.18 0.08 0.01 0.00 0.00 175.26 175.74 1u3u s VAL 28 N -0.32 2.09 0.72 2.63 1.01 0.43 -1.53 120.40 125.42 1u3u s VAL 28 Ca 0.02 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.73 1u3u s VAL 28 Cb -0.12 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1u3u s VAL 28 CO 0.02 0.38 1.12 0.00 0.00 0.00 0.00 175.10 176.62 1u3u s ALA 29 N 1.24 2.29 0.80 5.51 0.00 -0.26 -1.00 121.76 130.33 1u3u s ALA 29 Ca 0.01 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1u3u s ALA 29 Cb -0.15 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 19.70 1u3u s ALA 29 CO -0.11 -1.60 1.09 -1.25 0.00 0.00 0.00 175.76 173.89 1u3u s PRO 30 N -4.31 2.04 0.30 0.00 0.04 -1.26 -4.83 135.00 126.98 1u3u s PRO 30 Ca 0.67 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1u3u s PRO 30 Cb -0.21 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 1u3u s PRO 30 CO 0.47 -1.78 1.21 -1.25 0.04 0.00 0.00 177.00 175.69 1u3u s PRO 31 N -4.90 4.49 0.21 0.56 0.04 -1.26 -5.04 135.00 129.10 1u3u s PRO 31 Ca 0.62 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.64 1u3u s PRO 31 Cb -0.17 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.28 1u3u s PRO 31 CO 0.56 -0.01 0.29 1.63 0.04 0.00 0.00 177.00 179.51 1u3u n LYS 32 N 1.13 -0.14 -1.75 4.56 5.02 -1.26 -4.46 118.16 121.27 1u3u n LYS 32 Ca -0.00 -0.50 -0.42 0.00 -2.02 0.00 0.00 58.31 55.37 1u3u n LYS 32 Cb 0.43 -0.28 -0.02 0.00 -0.02 0.00 0.00 35.03 35.15 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 -3.15 2.69 -1.87 7.82 0.00 -1.26 -1.90 120.51 122.84 1u3u n ALA 33 Ca -0.05 0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.64 1u3u n ALA 33 Cb 0.13 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.07 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 2.46 -0.34 -4.41 0.00 4.02 -0.23 -4.89 117.16 113.77 1u3u n TYR 34 Ca 0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.76 1u3u n TYR 34 Cb 0.37 -2.55 -0.10 0.00 -0.02 0.00 0.00 39.34 37.03 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 -3.96 1.52 -0.06 -0.72 2.02 -0.80 -1.16 118.70 115.53 1u3u s GLU 35 Ca 0.00 -1.65 0.01 0.00 0.02 0.00 0.00 54.97 53.35 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 0.29 -0.07 0.08 0.02 0.00 0.00 175.26 175.58 1u3u s VAL 36 N -2.48 0.76 -0.23 2.63 1.01 0.10 -1.10 120.40 121.09 1u3u s VAL 36 Ca 0.25 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1u3u s VAL 36 Cb -0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 1u3u s VAL 36 CO 0.11 0.28 0.16 -0.60 0.00 0.00 0.00 175.10 175.05 1u3u s ARG 37 N 1.01 4.10 -0.08 2.72 3.52 -0.19 -0.62 118.95 129.41 1u3u s ARG 37 Ca -0.09 -0.25 0.05 0.00 -0.13 0.00 0.00 55.73 55.30 1u3u s ARG 37 Cb -0.14 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.73 1u3u s ARG 37 CO -0.00 0.11 -0.24 0.42 -0.81 0.00 0.00 175.30 174.79 1u3u s ILE 38 N 0.90 2.15 -0.33 4.11 1.01 0.47 -0.70 121.20 128.82 1u3u s ILE 38 Ca 0.08 -1.02 -0.24 0.00 0.00 0.00 0.00 60.65 59.47 1u3u s ILE 38 Cb -0.13 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1u3u s ILE 38 CO 0.03 0.56 0.82 -0.75 0.00 0.00 0.00 174.94 175.61 1u3u s LYS 39 N 0.02 3.91 0.33 2.79 2.20 0.74 -1.80 119.74 127.93 1u3u s LYS 39 Ca -0.09 0.56 -0.28 0.00 -0.36 0.00 0.00 55.97 55.80 1u3u s LYS 39 Cb -0.15 -3.75 -0.10 0.00 -1.51 0.00 0.00 37.83 32.32 1u3u s LYS 39 CO 0.06 -0.76 1.21 1.41 -0.36 0.00 0.00 175.35 176.91 1u3u s MET 40 N 3.09 4.39 -0.06 4.03 -2.45 -0.28 -0.95 119.30 127.07 1u3u s MET 40 Ca 0.34 2.01 -0.00 0.00 -1.25 0.00 0.00 55.69 56.79 1u3u s MET 40 Cb -0.14 -3.03 -0.04 0.00 1.25 0.00 0.00 34.83 32.88 1u3u s MET 40 CO 0.14 -0.08 -0.06 0.28 1.05 0.00 0.00 175.02 176.35 1u3u n VAL 41 N 0.78 0.35 -3.69 10.11 0.31 -0.60 -4.68 118.33 120.91 1u3u n VAL 41 Ca 0.00 -0.13 -0.14 0.00 -0.01 0.00 0.00 64.34 64.07 1u3u n VAL 41 Cb 0.44 -0.86 -0.09 0.00 -0.91 0.00 0.00 33.84 32.42 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 -2.12 -1.20 -0.00 3.52 0.00 -0.87 -2.24 121.76 118.84 1u3u s ALA 42 Ca -0.08 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1u3u s ALA 42 Cb 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1u3u s ALA 42 CO 0.14 -0.26 -0.01 0.08 0.00 0.00 0.00 175.76 175.71 1u3u s VAL 43 N -0.34 0.07 0.17 0.00 1.01 -0.58 -1.51 120.40 119.22 1u3u s VAL 43 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 1u3u s VAL 43 Cb -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.20 1u3u s VAL 43 CO 0.03 0.04 0.40 -0.83 0.00 0.00 0.00 175.10 174.73 1u3u s GLY 44 N 0.14 2.13 -0.40 4.51 0.00 0.71 -0.13 107.32 114.29 1u3u s GLY 44 Ca -0.01 -0.60 -0.18 0.00 0.00 0.00 0.00 44.72 43.93 1u3u s GLY 44 CO -0.00 -0.52 0.48 -0.42 0.00 0.00 0.00 173.10 172.64 1u3u s ILE 45 N -1.73 5.03 0.04 0.90 1.01 -0.70 -4.49 121.20 121.27 1u3u s ILE 45 Ca 0.41 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 61.01 1u3u s ILE 45 Cb -0.12 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1u3u s ILE 45 CO 0.26 -0.36 0.12 0.00 0.00 0.00 0.00 174.94 174.95 1u3u h ARG 47 N 3.54 0.00 -0.69 0.00 9.65 -1.97 -1.53 114.38 123.38 1u3u h ARG 47 Ca -0.47 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1u3u h ARG 47 Cb 1.17 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.72 1u3u h ARG 47 CO 0.67 0.00 0.45 1.15 2.80 0.00 0.00 179.97 185.04 1u3u h THR 48 N 0.00 1.18 -0.41 0.20 2.02 -1.99 0.16 112.91 114.06 1u3u h THR 48 Ca 0.07 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 1u3u h THR 48 Cb 0.33 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1u3u h THR 48 CO -0.00 0.18 0.05 0.44 0.37 0.00 0.00 175.52 176.56 1u3u h ASP 49 N 0.94 0.66 -0.46 4.18 5.19 -1.69 -2.78 116.42 122.47 1u3u h ASP 49 Ca 0.25 -0.27 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1u3u h ASP 49 Cb -0.10 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.21 1u3u h ASP 49 CO -0.05 0.77 0.28 -0.78 -3.12 0.00 0.00 179.24 176.34 1u3u h ASP 50 N 0.54 0.57 -0.43 6.45 3.58 -1.23 -2.27 116.42 123.63 1u3u h ASP 50 Ca 0.12 -0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.61 1u3u h ASP 50 Cb 0.40 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 1u3u h ASP 50 CO 0.01 0.44 0.29 0.45 -2.88 0.00 0.00 179.24 177.55 1u3u h HIS 51 N 0.65 0.28 -0.27 0.28 3.86 -0.72 -0.89 115.15 118.35 1u3u h HIS 51 Ca 0.17 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 1u3u h HIS 51 Cb -0.01 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1u3u h HIS 51 CO 0.00 0.15 -0.22 0.28 0.86 0.00 0.00 177.93 179.00 1u3u h VAL 52 N 0.28 1.31 -0.89 2.45 2.07 -1.44 -0.19 116.25 119.83 1u3u h VAL 52 Ca 0.19 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.38 1u3u h VAL 52 Cb 0.40 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 1u3u h VAL 52 CO -0.04 0.43 0.58 0.58 0.02 0.00 0.00 177.57 179.14 1u3u h VAL 53 N 0.34 1.17 -0.00 2.57 2.07 -1.35 -2.48 116.25 118.58 1u3u h VAL 53 Ca 0.05 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1u3u h VAL 53 Cb 0.77 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1u3u h VAL 53 CO 0.06 0.21 -0.07 -1.54 0.02 0.00 0.00 177.57 176.25 1u3u n SER 54 N -4.51 0.08 0.00 0.57 3.41 -0.42 0.28 113.62 113.03 1u3u n SER 54 Ca 0.11 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1u3u n SER 54 Cb 0.07 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.47 0.95 0.24 5.00 0.00 -0.77 -4.88 105.19 107.20 1u3u n GLY 55 Ca 0.08 0.00 0.12 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 -3.31 1.61 2.35 -1.34 -3.42 115.58 111.47 1u3u h ASN 56 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 1u3u h ASN 56 Cb 0.00 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.03 1u3u h ASN 56 CO 0.00 0.17 -0.83 -0.22 -1.65 0.00 0.00 177.43 174.90 1u3u s LEU 57 N -6.75 1.71 -0.14 1.61 2.96 -0.57 -0.96 118.68 116.54 1u3u s LEU 57 Ca 0.00 -0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 53.38 1u3u s LEU 57 Cb 0.10 -1.03 -0.05 0.00 0.50 0.00 0.00 46.19 45.72 1u3u s LEU 57 CO 0.61 0.03 0.30 -0.69 -1.32 0.00 0.00 176.35 175.27 1u3u s VAL 58 N 0.87 5.29 -0.04 1.68 1.01 -1.26 -4.11 120.40 123.84 1u3u s VAL 58 Ca -0.09 0.56 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 1u3u s VAL 58 Cb -0.15 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.65 1u3u s VAL 58 CO 0.01 0.43 0.47 0.28 0.00 0.00 0.00 175.10 176.29 1u3u s THR 59 N 0.16 0.03 0.33 3.92 -1.32 -1.26 -4.72 115.64 112.78 1u3u s THR 59 Ca 0.17 -0.25 -0.29 0.00 -1.21 0.00 0.00 61.69 60.11 1u3u s THR 59 Cb -0.13 -0.78 -0.11 0.00 -1.51 0.00 0.00 72.50 69.97 1u3u s THR 59 CO 0.05 -0.14 1.57 -2.84 -2.21 0.00 0.00 174.62 171.05 1u3u s PRO 60 N -1.16 4.10 0.23 7.08 0.02 -1.26 -5.03 135.00 138.98 1u3u s PRO 60 Ca -0.12 2.60 0.09 0.00 0.02 0.00 0.00 61.00 63.60 1u3u s PRO 60 Cb -0.03 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.45 1u3u s PRO 60 CO 0.06 -0.62 -0.03 -0.51 -0.33 0.00 0.00 177.00 175.58 1u3u s LEU 61 N -1.09 3.16 0.74 -5.54 1.43 -1.26 -4.35 118.68 111.77 1u3u s LEU 61 Ca 0.60 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 1u3u s LEU 61 Cb -0.48 -1.75 0.04 0.00 0.03 0.00 0.00 46.19 44.04 1u3u s LEU 61 CO 0.54 0.04 1.12 -2.16 0.23 0.00 0.00 176.35 176.12 1u3u s PRO 62 N -3.34 2.30 0.03 1.29 0.04 -1.26 -4.94 135.00 129.12 1u3u s PRO 62 Ca 0.29 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.51 1u3u s PRO 62 Cb -0.07 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.61 1u3u s PRO 62 CO 0.19 -1.63 0.42 0.54 0.04 0.00 0.00 177.00 176.55 1u3u s VAL 63 N -2.55 0.05 -0.37 -0.36 0.11 -0.61 -1.13 120.40 115.54 1u3u s VAL 63 Ca 0.66 -0.42 -0.09 0.00 -2.93 0.00 0.00 61.98 59.19 1u3u s VAL 63 Cb -0.20 -0.92 0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1u3u s VAL 63 CO 0.49 -0.23 0.19 -0.63 -3.33 0.00 0.00 175.10 171.60 1u3u s ILE 64 N -2.29 4.30 0.00 7.04 1.01 -0.78 -1.00 121.20 129.49 1u3u s ILE 64 Ca -0.06 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1u3u s ILE 64 Cb -0.01 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1u3u s ILE 64 CO -0.01 -0.28 0.00 0.18 0.00 0.00 0.00 174.94 174.83 1u3u n LEU 65 N 4.93 0.00 0.00 2.97 4.77 -1.26 -3.57 117.00 124.84 1u3u n LEU 65 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1u3u n LEU 65 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1u3u n LEU 65 CO 0.36 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1u3u n GLY 66 N 4.80 0.88 0.00 -0.72 0.00 -1.26 -1.33 105.19 107.57 1u3u n GLY 66 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 2.39 0.00 -3.15 1.61 1.44 -1.26 -0.87 115.22 115.38 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 0.00 3.14 0.31 -1.40 2.12 -1.26 -4.63 118.70 116.97 1u3u s GLU 68 Ca 0.00 -0.85 -0.19 0.00 0.36 0.00 0.00 54.97 54.30 1u3u s GLU 68 Cb 0.00 -4.09 0.05 0.00 0.26 0.00 0.00 34.13 30.36 1u3u s GLU 68 CO 0.00 -1.21 0.84 0.00 -0.54 0.00 0.00 175.26 174.35 1u3u s ALA 69 N 2.67 -1.08 -0.13 6.30 0.00 -1.23 -0.21 121.76 128.08 1u3u s ALA 69 Ca 0.16 -0.52 -0.19 0.00 0.00 0.00 0.00 51.96 51.41 1u3u s ALA 69 Cb -0.19 0.72 0.05 0.00 0.00 0.00 0.00 23.12 23.70 1u3u s ALA 69 CO 0.12 -1.02 0.50 0.00 0.00 0.00 0.00 175.76 175.37 1u3u s ALA 70 N -2.63 -1.25 0.00 0.00 0.00 -0.57 -4.11 121.76 113.19 1u3u s ALA 70 Ca 0.16 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1u3u s ALA 70 Cb -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1u3u s ALA 70 CO 0.09 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1u3u n GLY 71 N 2.18 2.45 3.17 0.00 0.00 -0.46 -1.56 105.19 110.97 1u3u n GLY 71 Ca -0.16 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.98 1.63 0.09 -0.61 1.01 -0.12 -1.04 121.20 119.18 1u3u s ILE 72 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 60.65 59.52 1u3u s ILE 72 Cb 0.00 -1.39 -0.08 0.00 0.01 0.00 0.00 42.46 40.99 1u3u s ILE 72 CO 0.00 0.46 1.59 -0.69 0.00 0.00 0.00 174.94 176.30 1u3u s VAL 73 N 0.02 3.03 -0.16 2.92 1.01 -0.40 -0.19 120.40 126.63 1u3u s VAL 73 Ca -0.05 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 1u3u s VAL 73 Cb -0.13 -3.37 -0.24 0.00 0.00 0.00 0.00 36.38 32.65 1u3u s VAL 73 CO 0.03 0.01 0.22 1.21 0.00 0.00 0.00 175.10 176.57 1u3u n GLU 74 N 5.04 0.72 -3.52 2.72 0.00 0.12 -0.60 120.64 125.13 1u3u n GLU 74 Ca 0.15 0.26 -0.09 0.00 0.00 0.00 0.00 57.16 57.47 1u3u n GLU 74 Cb 0.40 -1.67 -0.02 0.00 0.00 0.00 0.00 31.44 30.16 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 -6.93 -0.42 0.08 4.31 1.04 -1.08 -4.79 113.70 105.90 1u3u s SER 75 Ca -0.26 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.13 1u3u s SER 75 Cb 0.07 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1u3u s SER 75 CO 0.72 -0.85 -0.12 0.68 0.98 0.00 0.00 173.24 174.65 1u3u s VAL 76 N -3.45 1.00 0.84 5.02 -7.23 -1.26 -1.02 120.40 114.29 1u3u s VAL 76 Ca 0.05 -1.37 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 1u3u s VAL 76 Cb -0.01 -1.09 0.11 0.00 0.56 0.00 0.00 36.38 35.94 1u3u s VAL 76 CO -0.08 -0.33 1.20 -0.83 -0.31 0.00 0.00 175.10 174.74 1u3u s GLY 77 N -1.92 1.65 0.48 2.32 0.00 -0.26 -4.94 107.32 104.65 1u3u s GLY 77 Ca -0.01 -0.84 -0.24 0.00 0.00 0.00 0.00 44.72 43.63 1u3u s GLY 77 CO 0.02 -0.29 1.37 -1.83 0.00 0.00 0.00 173.10 172.37 1u3u s GLU 78 N -5.62 3.55 0.00 2.90 -1.05 -1.26 -2.63 118.70 114.59 1u3u s GLU 78 Ca 0.65 2.28 0.00 0.00 -0.15 0.00 0.00 54.97 57.75 1u3u s GLU 78 Cb -0.09 -2.52 0.00 0.00 -0.44 0.00 0.00 34.13 31.08 1u3u s GLU 78 CO 0.49 -0.88 0.00 0.41 0.95 0.00 0.00 175.26 176.23 1u3u n GLY 79 N 0.63 2.82 3.70 -3.83 0.00 -1.26 -1.06 105.19 106.18 1u3u n GLY 79 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.04 3.45 0.00 1.61 1.01 -1.08 -4.85 120.40 118.49 1u3u s VAL 80 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1u3u s VAL 80 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1u3u s VAL 80 CO 0.00 0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.47 1u3u n THR 81 N 4.46 0.00 0.47 3.92 -2.24 -1.26 -4.81 114.28 114.82 1u3u n THR 81 Ca 0.13 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 1u3u n THR 81 Cb 0.43 0.36 0.27 0.00 -2.10 0.00 0.00 70.33 69.29 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 -4.12 4.28 1.35 -1.97 -3.46 112.91 108.99 1u3u h THR 82 Ca 0.00 -0.66 -0.12 0.00 -0.55 0.00 0.00 66.41 65.08 1u3u h THR 82 Cb 0.00 1.56 -0.15 0.00 -1.73 0.00 0.00 68.15 67.84 1u3u h THR 82 CO 0.00 0.00 -0.58 0.68 -0.25 0.00 0.00 175.52 175.37 1u3u s VAL 83 N -3.16 0.18 0.12 6.82 -7.23 -1.26 -4.70 120.40 111.16 1u3u s VAL 83 Ca 0.08 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.57 1u3u s VAL 83 Cb 0.10 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.49 1u3u s VAL 83 CO 0.65 -0.83 0.15 -1.59 -0.31 0.00 0.00 175.10 173.17 1u3u s LYS 84 N -3.92 0.92 0.22 4.82 -2.85 -1.26 -4.99 119.74 112.69 1u3u s LYS 84 Ca 0.08 -1.19 -0.31 0.00 -1.00 0.00 0.00 55.97 53.55 1u3u s LYS 84 Cb 0.07 0.30 -0.15 0.00 -2.06 0.00 0.00 37.83 36.00 1u3u s LYS 84 CO -0.09 -0.29 1.15 -2.30 0.10 0.00 0.00 175.35 173.92 1u3u n PRO 85 N -0.09 1.36 0.00 1.78 -0.02 -1.26 -1.83 135.00 134.94 1u3u n PRO 85 Ca -0.10 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1u3u n PRO 85 Cb 0.63 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 1.77 3.14 3.77 -1.23 0.00 0.23 -4.94 105.19 107.92 1u3u n GLY 86 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.13 6.58 0.10 1.61 1.01 -0.76 -4.72 116.67 119.37 1u3u s ASP 87 Ca 0.00 2.40 -0.26 0.00 0.71 0.00 0.00 52.55 55.40 1u3u s ASP 87 Cb 0.00 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 1u3u s ASP 87 CO 0.00 -0.64 0.80 -0.54 0.21 0.00 0.00 175.17 175.00 1u3u s LYS 88 N -2.18 4.56 0.06 8.23 1.02 -1.26 -1.28 119.74 128.89 1u3u s LYS 88 Ca 0.55 1.17 -0.04 0.00 0.02 0.00 0.00 55.97 57.66 1u3u s LYS 88 Cb -0.32 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.64 1u3u s LYS 88 CO 0.41 0.39 0.07 0.14 -0.92 0.00 0.00 175.35 175.44 1u3u s VAL 89 N -0.48 0.17 -0.14 3.17 -7.23 -0.21 -1.74 120.40 113.93 1u3u s VAL 89 Ca 0.39 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1u3u s VAL 89 Cb -0.22 -1.30 0.02 0.00 0.56 0.00 0.00 36.38 35.44 1u3u s VAL 89 CO 0.25 -0.79 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.49 1u3u s ILE 90 N -3.57 1.53 0.62 -0.62 1.01 -0.43 -1.35 121.20 118.39 1u3u s ILE 90 Ca 0.03 -0.61 -0.15 0.00 0.00 0.00 0.00 60.65 59.93 1u3u s ILE 90 Cb 0.05 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 1u3u s ILE 90 CO -0.09 0.45 1.07 -2.16 0.00 0.00 0.00 174.94 174.21 1u3u s PRO 91 N 1.49 3.15 -0.14 2.79 0.04 -1.26 -0.93 135.00 140.14 1u3u s PRO 91 Ca 0.05 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.29 1u3u s PRO 91 Cb -0.13 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1u3u s PRO 91 CO -0.10 -0.95 -0.17 -0.51 0.04 0.00 0.00 177.00 175.31 1u3u s LEU 92 N -4.76 1.88 0.57 -3.56 1.43 0.81 -4.72 118.68 110.34 1u3u s LEU 92 Ca 0.63 -0.53 0.35 0.00 -1.03 0.00 0.00 54.13 53.55 1u3u s LEU 92 Cb -0.16 -1.28 1.69 0.00 0.03 0.00 0.00 46.19 46.47 1u3u s LEU 92 CO 0.41 0.00 2.12 2.19 0.23 0.00 0.00 176.35 181.30 1u3u h PHE 93 N 7.71 0.00 -3.19 0.29 -0.00 -1.82 -3.37 116.94 116.56 1u3u h PHE 93 Ca -0.37 0.00 -0.64 0.00 -0.00 0.00 0.00 57.97 56.97 1u3u h PHE 93 Cb 1.16 0.00 -0.35 0.00 -0.00 0.00 0.00 35.95 36.76 1u3u h PHE 93 CO 0.47 0.04 -0.85 0.99 -0.00 0.00 0.00 178.31 178.96 1u3u s THR 94 N -3.95 1.82 0.98 0.88 2.01 -1.26 -4.74 115.64 111.38 1u3u s THR 94 Ca -0.02 -0.82 -0.16 0.00 0.31 0.00 0.00 61.69 61.00 1u3u s THR 94 Cb 0.11 -1.64 0.20 0.00 0.01 0.00 0.00 72.50 71.18 1u3u s THR 94 CO 0.52 0.50 1.25 -2.16 -0.69 0.00 0.00 174.62 174.04 1u3u s PRO 95 N 1.02 0.49 -0.44 4.92 0.04 -1.26 -4.68 135.00 135.08 1u3u s PRO 95 Ca -0.04 -0.21 0.04 0.00 0.04 0.00 0.00 61.00 60.83 1u3u s PRO 95 Cb -0.15 -1.81 0.17 0.00 0.04 0.00 0.00 34.50 32.75 1u3u s PRO 95 CO -0.04 -2.55 0.34 -1.14 0.04 0.00 0.00 177.00 173.65 1u3u s GLN 96 N -5.70 1.06 0.52 4.56 0.74 -0.11 -4.37 119.66 116.37 1u3u s GLN 96 Ca 0.71 -2.17 0.22 0.00 0.05 0.00 0.00 55.36 54.18 1u3u s GLN 96 Cb -0.07 -1.68 1.40 0.00 1.10 0.00 0.00 33.01 33.77 1u3u s GLN 96 CO 0.53 -1.35 2.12 0.00 -0.55 0.00 0.00 175.29 176.04 1u3u n GLY 98 N -1.14 0.73 0.00 0.00 0.00 -1.26 -4.82 105.19 98.71 1u3u n GLY 98 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.03 1.74 -2.01 1.61 5.02 -1.26 -4.66 118.16 116.57 1u3u n LYS 99 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1u3u n LYS 99 Cb 0.02 -0.85 0.11 0.00 -0.02 0.00 0.00 35.03 34.28 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 -1.04 0.73 -0.44 0.00 2.43 -1.99 -1.48 114.38 112.59 1u3u h ARG 101 Ca -0.45 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.60 1u3u h ARG 101 Cb 1.30 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1u3u h ARG 101 CO 0.58 0.48 -0.05 0.28 -1.51 0.00 0.00 179.97 179.75 1u3u h VAL 102 N 0.75 1.27 -0.13 0.20 2.07 -1.92 -2.20 116.25 116.28 1u3u h VAL 102 Ca 0.37 -1.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 1u3u h VAL 102 Cb 0.32 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1u3u h VAL 102 CO -0.23 0.38 -0.30 0.00 0.02 0.00 0.00 177.57 177.44 1u3u h LYS 104 N 0.22 0.00 -6.38 0.00 1.57 -1.14 -3.43 116.57 107.41 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 0.64 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 1u3u h LYS 104 CO 0.05 0.26 0.88 1.21 -0.57 0.00 0.00 179.45 181.27 1u3u s ASN 105 N -6.26 6.85 0.61 0.86 3.84 -0.84 -4.92 114.94 115.08 1u3u s ASN 105 Ca 0.03 0.99 0.33 0.00 0.21 0.00 0.00 52.86 54.42 1u3u s ASN 105 Cb 0.08 -2.54 1.88 0.00 -0.55 0.00 0.00 41.25 40.12 1u3u s ASN 105 CO 0.68 -0.97 2.20 -0.65 -2.79 0.00 0.00 177.10 175.56 1u3u h PRO 106 N 8.46 0.00 0.00 0.43 0.11 -1.83 -2.38 132.00 136.78 1u3u h PRO 106 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1u3u h PRO 106 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1u3u h PRO 106 CO 1.05 0.00 -0.32 0.39 -0.21 0.00 0.00 178.00 178.91 1u3u n GLU 107 N -3.58 0.06 -4.54 1.05 -0.58 -1.26 -4.96 120.64 106.82 1u3u n GLU 107 Ca -0.01 0.03 -0.25 0.00 -0.42 0.00 0.00 57.16 56.50 1u3u n GLU 107 Cb 0.20 -1.55 -0.11 0.00 -0.57 0.00 0.00 31.44 29.41 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 -3.27 3.31 0.00 1.62 1.04 -0.90 -5.05 113.70 110.45 1u3u s SER 108 Ca 0.11 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1u3u s SER 108 Cb 0.17 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1u3u s SER 108 CO 0.64 -0.45 0.00 -0.46 0.98 0.00 0.00 173.24 173.95 1u3u n ASN 109 N -0.82 0.00 -3.87 7.02 6.94 -1.26 -4.77 115.26 118.50 1u3u n ASN 109 Ca -0.04 -0.76 -0.42 0.00 -0.02 0.00 0.00 54.58 53.33 1u3u n ASN 109 Cb 0.66 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 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 3.69 -1.56 -2.53 9.36 -1.26 -4.81 117.16 120.06 1u3u n TYR 110 Ca 0.00 -2.95 -0.48 0.00 3.32 0.00 0.00 57.90 57.79 1u3u n TYR 110 Cb 0.19 -2.54 -0.03 0.00 -0.63 0.00 0.00 39.34 36.33 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 1.78 0.12 -0.64 0.00 4.77 -1.26 -1.80 117.00 119.97 1u3u n LEU 112 Ca 0.14 0.55 0.09 0.00 -0.03 0.00 0.00 56.01 56.76 1u3u n LEU 112 Cb 0.26 -0.56 0.28 0.00 -2.33 0.00 0.00 43.42 41.08 1u3u n LEU 112 CO 0.60 -0.53 0.72 0.29 -1.33 0.00 0.00 177.39 177.14 1u3u n LYS 113 N -1.65 1.82 -1.27 3.23 4.76 -1.26 -4.94 118.16 118.85 1u3u n LYS 113 Ca 0.00 -1.25 -0.32 0.00 -2.87 0.00 0.00 58.31 53.88 1u3u n LYS 113 Cb 0.05 -1.36 0.10 0.00 -1.84 0.00 0.00 35.03 31.98 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 -1.33 4.27 -0.29 4.39 2.20 -0.74 -4.86 114.94 118.58 1u3u s ASN 114 Ca 0.30 1.99 0.08 0.00 -0.94 0.00 0.00 52.86 54.29 1u3u s ASN 114 Cb 0.16 -2.54 0.45 0.00 -2.00 0.00 0.00 41.25 37.32 1u3u s ASN 114 CO 0.23 -2.20 1.29 -0.67 -2.94 0.00 0.00 177.10 172.81 1u3u n ASP 115 N -3.35 3.81 -0.10 3.54 4.64 -1.26 -4.78 116.55 119.05 1u3u n ASP 115 Ca 0.10 -3.81 -0.24 0.00 -1.38 0.00 0.00 54.79 49.47 1u3u n ASP 115 Cb 0.52 -0.47 -0.12 0.00 -1.04 0.00 0.00 41.12 40.01 1u3u n ASP 115 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1u3u n LEU 116 N -0.90 2.17 0.00 -2.67 4.32 -1.26 -4.10 117.00 114.56 1u3u n LEU 116 Ca 0.36 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.64 1u3u n LEU 116 Cb 0.88 -0.95 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1u3u n LEU 116 CO 0.27 0.56 0.46 0.61 -1.22 0.00 0.00 177.39 178.07 1u3u n GLY 117 N 1.59 -2.73 2.82 -0.72 0.00 -1.26 -4.17 105.19 100.72 1u3u n GLY 117 Ca -0.41 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1u3u n GLY 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u3u s ASN 118 N -2.30 4.04 0.28 1.61 3.04 -1.26 -5.10 114.94 115.25 1u3u s ASN 118 Ca 0.00 -3.14 -0.30 0.00 0.04 0.00 0.00 52.86 49.46 1u3u s ASN 118 Cb 0.00 -1.37 -0.13 0.00 -1.54 0.00 0.00 41.25 38.21 1u3u s ASN 118 CO 0.00 -0.20 1.42 -2.65 -3.04 0.00 0.00 177.10 172.63 1u3u n PRO 119 N 2.90 2.21 -0.03 0.43 -0.02 -1.26 -4.92 135.00 134.32 1u3u n PRO 119 Ca 0.12 0.78 0.05 0.00 -2.02 0.00 0.00 63.50 62.43 1u3u n PRO 119 Cb 0.35 -2.45 -0.15 0.00 -0.02 0.00 0.00 33.50 31.23 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 1.67 0.72 -3.03 -0.52 1.74 -1.26 -4.59 116.66 111.38 1u3u n ARG 120 Ca 0.09 -0.13 -0.13 0.00 -0.77 0.00 0.00 57.85 56.91 1u3u n ARG 120 Cb 0.34 -1.45 0.04 0.00 -1.02 0.00 0.00 32.46 30.36 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 1.55 0.09 3.35 -0.13 0.00 -1.26 -4.79 105.19 104.00 1u3u n GLY 121 Ca -0.10 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.12 0.24 0.91 2.61 -4.23 -1.26 -0.36 115.64 110.43 1u3u s THR 122 Ca 0.30 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.69 1u3u s THR 122 Cb -0.13 -2.46 0.19 0.00 1.34 0.00 0.00 72.50 71.44 1u3u s THR 122 CO 0.37 0.00 1.24 -0.76 -0.54 0.00 0.00 174.62 174.93 1u3u s LEU 123 N -3.43 2.79 0.65 4.79 1.43 -0.36 -4.47 118.68 120.08 1u3u s LEU 123 Ca 0.35 0.05 0.42 0.00 -1.03 0.00 0.00 54.13 53.91 1u3u s LEU 123 Cb 0.03 -2.13 2.25 0.00 0.03 0.00 0.00 46.19 46.37 1u3u s LEU 123 CO 0.21 -2.56 2.32 1.56 0.23 0.00 0.00 176.35 178.11 1u3u h GLN 124 N -1.38 0.00 -0.13 1.70 4.20 -1.91 -0.52 115.11 117.08 1u3u h GLN 124 Ca -0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 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 0.37 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.13 1u3u n ASP 125 N -3.16 0.94 0.00 1.46 3.85 -1.26 -4.88 116.55 113.50 1u3u n ASP 125 Ca -0.03 -1.77 0.00 0.00 -0.71 0.00 0.00 54.79 52.29 1u3u n ASP 125 Cb 0.10 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 39.78 1u3u n ASP 125 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u3u n GLY 126 N 0.89 0.54 3.43 6.12 0.00 -0.20 -5.04 105.19 110.93 1u3u n GLY 126 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.03 1.71 0.06 2.61 -4.23 -1.26 -4.85 115.64 107.66 1u3u s THR 127 Ca 0.00 -2.14 0.04 0.00 -1.18 0.00 0.00 61.69 58.41 1u3u s THR 127 Cb 0.00 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1u3u s THR 127 CO 0.00 -0.31 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.60 1u3u s ARG 128 N -3.71 2.51 0.00 3.99 0.52 -1.26 -1.23 118.95 119.77 1u3u s ARG 128 Ca 0.29 -0.81 0.19 0.00 -0.52 0.00 0.00 55.73 54.88 1u3u s ARG 128 Cb 0.03 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 1u3u s ARG 128 CO 0.12 0.56 0.94 0.54 0.02 0.00 0.00 175.30 177.48 1u3u n ARG 129 N 0.92 1.36 -3.87 3.54 5.12 -1.26 -4.99 116.66 117.48 1u3u n ARG 129 Ca -0.13 -0.76 -0.36 0.00 -1.93 0.00 0.00 57.85 54.68 1u3u n ARG 129 Cb 0.52 -1.38 -0.06 0.00 -1.16 0.00 0.00 32.46 30.39 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 -2.29 3.58 0.05 -1.55 0.40 -1.26 -1.10 117.98 115.82 1u3u s PHE 130 Ca 0.14 0.48 0.01 0.00 -0.60 0.00 0.00 56.93 56.97 1u3u s PHE 130 Cb 0.15 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 1u3u s PHE 130 CO 0.53 0.70 -0.06 0.95 0.70 0.00 0.00 175.22 178.04 1u3u s THR 131 N -1.15 0.47 -0.26 0.64 -4.23 -0.58 -1.32 115.64 109.20 1u3u s THR 131 Ca 0.20 -1.27 -0.13 0.00 -1.18 0.00 0.00 61.69 59.31 1u3u s THR 131 Cb -0.12 -0.82 0.09 0.00 1.34 0.00 0.00 72.50 72.98 1u3u s THR 131 CO 0.10 -0.54 0.62 0.00 -0.54 0.00 0.00 174.62 174.26 1u3u n ARG 133 N 4.55 -4.37 -1.00 0.00 1.74 -1.26 -1.55 116.66 114.77 1u3u n ARG 133 Ca -0.19 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1u3u n ARG 133 Cb 0.56 -5.39 0.00 0.00 -1.02 0.00 0.00 32.46 26.61 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 -1.42 0.59 3.31 -0.13 0.00 -1.26 -5.02 105.19 101.26 1u3u n GLY 134 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.01 1.20 0.48 1.61 1.02 -0.59 -5.13 119.74 118.31 1u3u s LYS 135 Ca 0.00 -1.35 -0.20 0.00 0.02 0.00 0.00 55.97 54.44 1u3u s LYS 135 Cb 0.00 -1.22 -0.09 0.00 -0.52 0.00 0.00 37.83 36.00 1u3u s LYS 135 CO 0.00 0.25 1.02 -1.25 -0.92 0.00 0.00 175.35 174.44 1u3u s PRO 136 N -2.72 3.89 -0.03 -1.68 0.04 -1.26 -0.66 135.00 132.58 1u3u s PRO 136 Ca 0.13 1.28 0.06 0.00 0.04 0.00 0.00 61.00 62.52 1u3u s PRO 136 Cb -0.06 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1u3u s PRO 136 CO 0.06 -0.35 -0.20 0.42 0.04 0.00 0.00 177.00 176.97 1u3u s ILE 137 N -2.07 1.62 0.53 0.56 -1.09 -0.44 -4.82 121.20 115.49 1u3u s ILE 137 Ca 0.66 -0.86 -0.17 0.00 -2.23 0.00 0.00 60.65 58.05 1u3u s ILE 137 Cb -0.14 -1.36 -0.07 0.00 -1.58 0.00 0.00 42.46 39.31 1u3u s ILE 137 CO 0.19 0.46 1.00 -1.00 -1.23 0.00 0.00 174.94 174.36 1u3u s HIS 138 N -0.33 3.33 0.65 3.97 3.76 -0.28 -4.22 115.29 122.17 1u3u s HIS 138 Ca 0.04 1.49 -0.04 0.00 -0.15 0.00 0.00 55.06 56.39 1u3u s HIS 138 Cb -0.09 -2.85 0.05 0.00 1.11 0.00 0.00 32.58 30.79 1u3u s HIS 138 CO 0.00 -0.54 0.93 -1.01 -0.85 0.00 0.00 174.74 173.27 1u3u s HIS 139 N -2.55 2.94 -0.06 1.40 3.76 0.51 -1.86 115.29 119.43 1u3u s HIS 139 Ca 0.60 0.34 -0.01 0.00 -0.15 0.00 0.00 55.06 55.84 1u3u s HIS 139 Cb -0.11 -3.01 0.03 0.00 1.11 0.00 0.00 32.58 30.59 1u3u s HIS 139 CO 0.32 -1.19 0.01 0.12 -0.85 0.00 0.00 174.74 173.15 1u3u s PHE 140 N -3.08 0.54 -1.11 1.40 5.99 -1.23 -4.33 117.98 116.16 1u3u s PHE 140 Ca 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 56.93 57.43 1u3u s PHE 140 Cb -0.11 -0.69 0.00 0.00 0.00 0.00 0.00 43.02 42.22 1u3u s PHE 140 CO 0.43 -0.27 0.00 1.28 -0.00 0.00 0.00 175.22 176.66 1u3u n LEU 141 N 4.95 -1.19 0.00 6.12 4.77 -1.26 -1.00 117.00 129.39 1u3u n LEU 141 Ca -0.10 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1u3u n LEU 141 Cb 0.50 -2.19 0.00 0.00 -2.33 0.00 0.00 43.42 39.40 1u3u n LEU 141 CO 0.12 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 1u3u n GLY 142 N -0.80 0.43 0.14 -0.72 0.00 -1.26 -4.53 105.19 98.46 1u3u n GLY 142 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.15 0.28 -3.78 2.61 -2.24 -0.17 -4.51 114.28 104.33 1u3u n THR 143 Ca 0.00 -0.10 -0.28 0.00 -2.27 0.00 0.00 64.05 61.40 1u3u n THR 143 Cb 0.07 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 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 -2.73 -4.19 -0.41 3.42 7.64 -0.96 -4.74 113.62 111.65 1u3u n SER 144 Ca -0.09 -0.97 0.14 0.00 1.01 0.00 0.00 58.87 58.96 1u3u n SER 144 Cb 0.59 -1.44 0.54 0.00 -1.01 0.00 0.00 64.21 62.89 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 -2.98 0.00 -1.47 0.44 -2.24 -0.05 -4.30 114.28 103.68 1u3u n THR 145 Ca -0.25 -0.21 -0.31 0.00 -2.27 0.00 0.00 64.05 61.01 1u3u n THR 145 Cb 0.61 0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.04 1.75 -3.66 4.78 0.99 -0.44 -4.80 117.46 116.04 1u3u n PHE 146 Ca 0.18 -2.41 -0.15 0.00 -0.00 0.00 0.00 57.45 55.07 1u3u n PHE 146 Cb 0.33 -1.87 -0.08 0.00 -1.00 0.00 0.00 39.48 36.87 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 1.23 -0.43 0.51 4.37 0.15 -1.26 -0.95 113.70 117.33 1u3u s SER 147 Ca 0.62 0.50 0.17 0.00 0.70 0.00 0.00 55.95 57.94 1u3u s SER 147 Cb 0.26 0.54 1.26 0.00 -1.71 0.00 0.00 66.02 66.37 1u3u s SER 147 CO -0.09 -0.45 2.12 1.56 1.20 0.00 0.00 173.24 177.58 1u3u h GLN 148 N 3.86 0.00 -3.83 5.44 4.20 -1.41 -3.41 115.11 119.97 1u3u h GLN 148 Ca -0.28 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.15 1u3u h GLN 148 Cb 1.16 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.65 1u3u h GLN 148 CO 0.35 0.04 -0.73 0.71 -0.67 0.00 0.00 178.83 178.53 1u3u s TYR 149 N -4.93 0.16 0.09 2.96 2.02 -1.26 -1.13 117.35 115.26 1u3u s TYR 149 Ca -0.05 -0.00 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 1u3u s TYR 149 Cb 0.17 -0.16 -0.04 0.00 -0.40 0.00 0.00 41.96 41.52 1u3u s TYR 149 CO 0.66 -0.03 -0.06 -0.08 -1.57 0.00 0.00 175.55 174.47 1u3u s THR 150 N 0.28 0.63 -0.10 -0.71 -1.32 -0.74 -4.97 115.64 108.70 1u3u s THR 150 Ca -0.02 -1.88 0.02 0.00 -1.21 0.00 0.00 61.69 58.60 1u3u s THR 150 Cb -0.04 -1.61 -0.01 0.00 -1.51 0.00 0.00 72.50 69.32 1u3u s THR 150 CO -0.01 -0.87 -0.19 -0.69 -2.21 0.00 0.00 174.62 170.66 1u3u s VAL 151 N -3.55 2.55 0.04 5.08 1.01 -1.26 -0.39 120.40 123.87 1u3u s VAL 151 Ca 0.10 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1u3u s VAL 151 Cb 0.05 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1u3u s VAL 151 CO -0.05 0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 174.83 1u3u s VAL 152 N 0.20 0.57 0.41 2.92 1.01 0.21 -4.83 120.40 120.89 1u3u s VAL 152 Ca -0.12 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.60 1u3u s VAL 152 Cb -0.16 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 1u3u s VAL 152 CO 0.06 -0.31 1.35 -1.81 0.00 0.00 0.00 175.10 174.39 1u3u s ASP 153 N -1.42 6.25 0.27 3.32 1.01 -1.26 0.01 116.67 124.85 1u3u s ASP 153 Ca -0.08 2.75 0.00 0.00 0.71 0.00 0.00 52.55 55.93 1u3u s ASP 153 Cb -0.09 -2.64 0.54 0.00 1.01 0.00 0.00 42.92 41.73 1u3u s ASP 153 CO 0.00 -0.90 1.81 -0.08 0.21 0.00 0.00 175.17 176.21 1u3u h GLU 154 N 2.67 0.83 0.00 8.23 4.81 -1.46 0.47 114.58 130.14 1u3u h GLU 154 Ca -0.50 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1u3u h GLU 154 Cb 1.25 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1u3u h GLU 154 CO 0.63 0.55 0.00 0.27 -0.73 0.00 0.00 179.01 179.73 1u3u n ASN 155 N -4.71 0.00 -0.18 1.04 0.23 -1.26 -1.75 115.26 108.63 1u3u n ASN 155 Ca 0.18 -0.86 0.09 0.00 -0.53 0.00 0.00 54.58 53.46 1u3u n ASN 155 Cb 0.38 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.23 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 -0.85 2.50 -3.75 -2.53 0.00 0.15 -0.93 120.51 115.10 1u3u n ALA 156 Ca 0.11 -2.73 -0.26 0.00 0.00 0.00 0.00 53.44 50.57 1u3u n ALA 156 Cb 0.05 -0.38 -0.17 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.94 1.03 -0.16 0.00 1.01 -0.72 -0.14 120.40 118.49 1u3u s VAL 157 Ca 0.33 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 1u3u s VAL 157 Cb 0.30 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1u3u s VAL 157 CO 0.02 0.36 0.01 0.00 0.00 0.00 0.00 175.10 175.48 1u3u s ALA 158 N 1.33 3.18 0.08 5.51 0.00 -0.11 -4.95 121.76 126.82 1u3u s ALA 158 Ca -0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1u3u s ALA 158 Cb -0.14 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1u3u s ALA 158 CO -0.04 0.22 1.04 0.21 0.00 0.00 0.00 175.76 177.20 1u3u s LYS 159 N 0.29 4.58 0.40 0.00 2.20 -1.26 -1.31 119.74 124.63 1u3u s LYS 159 Ca -0.00 1.57 0.05 0.00 -0.36 0.00 0.00 55.97 57.22 1u3u s LYS 159 Cb -0.13 -3.37 -0.06 0.00 -1.51 0.00 0.00 37.83 32.76 1u3u s LYS 159 CO 0.02 0.01 0.04 0.96 -0.36 0.00 0.00 175.35 176.02 1u3u s ILE 160 N 0.44 1.45 -0.05 5.43 -4.36 -0.71 -4.69 121.20 118.72 1u3u s ILE 160 Ca 0.51 -2.00 -0.38 0.00 -0.26 0.00 0.00 60.65 58.52 1u3u s ILE 160 Cb -0.25 -2.73 -0.16 0.00 1.25 0.00 0.00 42.46 40.57 1u3u s ILE 160 CO 0.30 0.00 1.49 -0.67 0.24 0.00 0.00 174.94 176.30 1u3u n ASP 161 N -0.96 1.90 0.34 4.36 4.64 -1.26 -4.56 116.55 121.00 1u3u n ASP 161 Ca -0.07 1.10 0.23 0.00 -1.38 0.00 0.00 54.79 54.67 1u3u n ASP 161 Cb 0.67 -1.17 1.21 0.00 -1.04 0.00 0.00 41.12 40.79 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 5.51 1.01 -0.38 -1.67 0.00 -1.98 -1.60 119.26 120.15 1u3u h ALA 162 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1u3u h ALA 162 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1u3u h ALA 162 CO 0.84 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.09 1u3u n ALA 163 N -2.09 2.45 -1.86 0.00 0.00 -1.26 -4.93 120.51 112.82 1u3u n ALA 163 Ca -0.03 -0.81 -0.41 0.00 0.00 0.00 0.00 53.44 52.19 1u3u n ALA 163 Cb 0.08 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.28 6.60 -0.64 0.00 0.01 -0.60 -4.93 113.70 112.86 1u3u s SER 164 Ca 0.35 2.71 -0.25 0.00 1.31 0.00 0.00 55.95 60.07 1u3u s SER 164 Cb 0.19 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.84 1u3u s SER 164 CO 0.26 -0.74 1.08 -2.16 0.41 0.00 0.00 173.24 172.08 1u3u s PRO 165 N -0.34 3.26 0.53 12.44 0.04 -1.26 -4.89 135.00 144.78 1u3u s PRO 165 Ca 0.60 -0.34 0.20 0.00 0.04 0.00 0.00 61.00 61.51 1u3u s PRO 165 Cb -0.43 -4.13 1.35 0.00 0.04 0.00 0.00 34.50 31.33 1u3u s PRO 165 CO 0.44 -1.79 2.09 -0.07 0.04 0.00 0.00 177.00 177.71 1u3u h LEU 166 N 11.77 0.00 -0.70 -3.56 3.38 -1.97 -1.31 115.31 122.92 1u3u h LEU 166 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1u3u h LEU 166 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1u3u h LEU 166 CO 1.18 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 177.87 1u3u n GLU 167 N -4.43 0.18 -0.08 1.13 0.00 -1.26 -2.73 120.64 113.44 1u3u n GLU 167 Ca 0.02 0.43 -0.17 0.00 0.00 0.00 0.00 57.16 57.44 1u3u n GLU 167 Cb 0.30 -1.85 -0.06 0.00 0.00 0.00 0.00 31.44 29.83 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 -2.19 0.37 0.08 3.44 4.76 -0.59 -4.69 118.16 119.34 1u3u n LYS 168 Ca 0.02 0.16 0.08 0.00 -2.87 0.00 0.00 58.31 55.70 1u3u n LYS 168 Cb 0.21 -1.12 0.36 0.00 -1.84 0.00 0.00 35.03 32.64 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 -3.84 1.18 0.17 -0.18 0.24 -0.65 -2.52 118.33 112.73 1u3u n VAL 169 Ca -0.31 0.42 0.15 0.00 -2.04 0.00 0.00 64.34 62.55 1u3u n VAL 169 Cb 0.69 -1.33 0.73 0.00 -1.47 0.00 0.00 33.84 32.45 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 0.00 0.00 -2.20 0.00 4.07 -1.81 -0.44 115.31 114.93 1u3u h LEU 171 Ca 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 1u3u h LEU 171 Cb 0.44 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.18 1u3u h LEU 171 CO -0.00 0.19 -0.02 0.40 -1.08 0.00 0.00 178.44 177.93 1u3u h ILE 172 N 0.00 0.09 0.00 1.22 2.04 -1.30 -1.93 117.51 117.63 1u3u h ILE 172 Ca -0.00 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1u3u h ILE 172 Cb 0.34 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1u3u h ILE 172 CO 0.02 0.02 -0.07 1.23 0.00 0.00 0.00 178.15 179.35 1u3u h GLY 173 N 0.98 0.00 0.00 5.37 0.00 -1.14 -3.36 103.07 104.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1u3u h GLY 175 N 0.00 0.08 0.63 0.00 0.00 -1.81 -1.16 103.07 100.82 1u3u h GLY 175 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1u3u h GLY 175 CO 0.00 -0.08 -0.01 -2.75 0.00 0.00 0.00 176.54 173.70 1u3u h PHE 176 N -0.04 -0.02 -0.77 5.60 3.04 -1.64 -1.74 116.94 121.38 1u3u h PHE 176 Ca 0.08 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.07 1u3u h PHE 176 Cb 0.16 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 1u3u h PHE 176 CO -0.20 0.35 0.49 0.66 -2.02 0.00 0.00 178.31 177.58 1u3u h SER 177 N -0.38 0.80 0.21 0.41 4.64 -1.71 -0.04 113.55 117.47 1u3u h SER 177 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1u3u h SER 177 Cb 0.37 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1u3u h SER 177 CO 0.00 0.54 -0.10 0.74 -0.87 0.00 0.00 176.83 177.15 1u3u h THR 178 N 0.94 0.84 -0.02 2.95 2.02 -1.24 0.88 112.91 119.29 1u3u h THR 178 Ca 0.31 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 1u3u h THR 178 Cb 0.04 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1u3u h THR 178 CO -0.12 0.06 0.00 1.23 0.37 0.00 0.00 175.52 177.06 1u3u h GLY 179 N -0.40 0.03 0.91 2.16 0.00 -1.07 -0.71 103.07 103.97 1u3u h GLY 179 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1u3u h GLY 179 CO 0.05 0.01 -0.02 -1.82 0.00 0.00 0.00 176.54 174.76 1u3u h TYR 180 N -0.17 -0.05 -0.09 5.60 3.20 -0.87 -2.89 116.97 121.70 1u3u h TYR 180 Ca 0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 1u3u h TYR 180 Cb 0.20 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1u3u h TYR 180 CO -0.01 0.05 -0.21 0.78 -1.64 0.00 0.00 178.16 177.14 1u3u h GLY 181 N -0.15 0.16 1.00 1.82 0.00 -0.84 -1.78 103.07 103.28 1u3u h GLY 181 Ca -0.01 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.30 1u3u h GLY 181 CO 0.01 0.10 0.47 1.76 0.00 0.00 0.00 176.54 178.87 1u3u h SER 182 N 0.14 0.59 0.03 0.19 0.02 -0.91 0.44 113.55 114.05 1u3u h SER 182 Ca 0.03 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1u3u h SER 182 Cb 0.45 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1u3u h SER 182 CO 0.03 0.37 -0.30 0.00 -1.14 0.00 0.00 176.83 175.78 1u3u h ALA 183 N 1.63 0.01 0.00 3.77 0.00 -1.36 -1.37 119.26 121.95 1u3u h ALA 183 Ca 0.32 -0.61 -0.24 0.00 0.00 0.00 0.00 54.91 54.38 1u3u h ALA 183 Cb 0.37 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1u3u h ALA 183 CO -0.11 0.16 -0.97 0.28 0.00 0.00 0.00 179.25 178.61 1u3u h VAL 184 N -0.85 1.38 0.00 0.00 2.07 -1.05 -1.30 116.25 116.50 1u3u h VAL 184 Ca -0.06 -2.42 -0.37 0.00 0.82 0.00 0.00 66.70 64.66 1u3u h VAL 184 Cb 1.18 2.43 -0.06 0.00 -1.52 0.00 0.00 31.29 33.31 1u3u h VAL 184 CO 0.02 0.73 -2.34 0.59 0.02 0.00 0.00 177.57 176.58 1u3u n ASN 185 N -3.76 2.07 -0.05 0.57 3.02 0.15 -4.03 115.26 113.23 1u3u n ASN 185 Ca -0.08 -0.01 -0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1u3u n ASN 185 Cb 0.85 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1u3u n ASN 185 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1u3u h VAL 186 N -0.25 0.00 -0.02 2.41 2.07 -1.48 -3.37 116.25 115.61 1u3u h VAL 186 Ca -0.55 -0.90 -0.17 0.00 0.82 0.00 0.00 66.70 65.90 1u3u h VAL 186 Cb 1.73 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1u3u h VAL 186 CO -0.16 0.00 -0.73 0.00 0.02 0.00 0.00 177.57 176.69 1u3u h ALA 187 N -1.10 0.72 -5.67 1.67 0.00 -1.36 -3.48 119.26 110.05 1u3u h ALA 187 Ca 0.00 -0.64 -0.31 0.00 0.00 0.00 0.00 54.91 53.96 1u3u h ALA 187 Cb 0.01 -0.09 0.16 0.00 0.00 0.00 0.00 17.79 17.87 1u3u h ALA 187 CO 0.00 0.84 -0.85 1.63 0.00 0.00 0.00 179.25 180.88 1u3u n LYS 188 N -3.74 -3.44 -1.66 0.00 5.02 -0.58 -4.89 118.16 108.87 1u3u n LYS 188 Ca -0.02 0.78 -0.45 0.00 -2.02 0.00 0.00 58.31 56.60 1u3u n LYS 188 Cb 0.71 -5.55 -0.03 0.00 -0.02 0.00 0.00 35.03 30.14 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 -3.68 1.00 -4.00 -0.18 0.31 -0.69 -4.99 118.33 106.10 1u3u n VAL 189 Ca -0.15 -0.25 -0.29 0.00 -0.01 0.00 0.00 64.34 63.64 1u3u n VAL 189 Cb 0.63 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 32.13 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 -0.13 4.93 0.32 2.52 -4.23 -1.26 -4.85 115.64 112.93 1u3u s THR 190 Ca 0.68 -0.72 -0.29 0.00 -1.18 0.00 0.00 61.69 60.18 1u3u s THR 190 Cb -0.67 -3.45 -0.11 0.00 1.34 0.00 0.00 72.50 69.61 1u3u s THR 190 CO 0.51 0.03 1.52 -2.84 -0.54 0.00 0.00 174.62 173.30 1u3u s PRO 191 N -2.76 4.15 0.00 3.99 0.02 -1.17 -2.42 135.00 136.81 1u3u s PRO 191 Ca 0.32 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.87 1u3u s PRO 191 Cb -0.12 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1u3u s PRO 191 CO 0.25 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 1u3u n GLY 192 N 1.52 0.82 3.93 0.52 0.00 0.06 -4.91 105.19 107.12 1u3u n GLY 192 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.70 5.14 -0.09 1.61 1.04 -1.02 -4.26 113.70 113.43 1u3u s SER 193 Ca 0.00 0.54 -0.01 0.00 0.48 0.00 0.00 55.95 56.96 1u3u s SER 193 Cb 0.00 -1.34 -0.03 0.00 0.10 0.00 0.00 66.02 64.75 1u3u s SER 193 CO 0.00 -1.37 -0.02 0.42 0.98 0.00 0.00 173.24 173.25 1u3u s THR 194 N -3.13 4.10 0.11 2.02 -4.23 -1.26 -0.21 115.64 113.03 1u3u s THR 194 Ca 0.58 -0.32 0.04 0.00 -1.18 0.00 0.00 61.69 60.81 1u3u s THR 194 Cb -0.11 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 1u3u s THR 194 CO 0.45 0.59 -0.11 0.00 -0.54 0.00 0.00 174.62 175.01 1u3u s ALA 196 N -2.49 0.79 -0.24 0.00 0.00 0.03 -0.37 121.76 119.47 1u3u s ALA 196 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 1u3u s ALA 196 Cb -0.03 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1u3u s ALA 196 CO 0.01 -0.10 -0.08 0.08 0.00 0.00 0.00 175.76 175.67 1u3u s VAL 197 N 1.10 2.73 -0.31 0.00 1.01 0.50 -0.82 120.40 124.61 1u3u s VAL 197 Ca -0.08 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 60.63 1u3u s VAL 197 Cb -0.14 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 1u3u s VAL 197 CO -0.01 0.21 0.58 -0.36 0.00 0.00 0.00 175.10 175.52 1u3u s PHE 198 N 1.30 3.21 0.00 5.22 0.08 -0.12 -0.65 117.98 127.02 1u3u s PHE 198 Ca -0.00 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.53 1u3u s PHE 198 Cb -0.17 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 1u3u s PHE 198 CO -0.05 -0.46 0.00 0.41 -0.10 0.00 0.00 175.22 175.01 1u3u n GLY 199 N 4.53 1.75 2.37 4.36 0.00 0.07 -0.51 105.19 117.75 1u3u n GLY 199 Ca -0.03 -1.24 -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 4.67 0.00 0.99 4.77 -1.26 -4.12 117.00 122.04 1u3u n LEU 200 Ca 0.00 -5.04 0.00 0.00 -0.03 0.00 0.00 56.01 50.94 1u3u n LEU 200 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1u3u n LEU 200 CO 0.00 2.18 0.00 0.61 -1.33 0.00 0.00 177.39 178.85 1u3u n GLY 201 N -0.53 0.21 0.36 -0.72 0.00 -1.26 -4.63 105.19 98.62 1u3u n GLY 201 Ca 0.39 -1.83 0.03 0.00 0.00 0.00 0.00 46.02 44.62 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 1.14 0.60 -0.02 0.00 -1.93 -0.51 103.07 102.35 1u3u h GLY 202 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1u3u h GLY 202 CO 0.00 0.32 -0.24 -2.08 0.00 0.00 0.00 176.54 174.54 1u3u h VAL 203 N 0.97 1.45 -0.71 4.60 2.07 -1.93 -2.66 116.25 120.03 1u3u h VAL 203 Ca 0.33 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1u3u h VAL 203 Cb 0.09 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1u3u h VAL 203 CO -0.10 0.47 0.32 1.23 0.02 0.00 0.00 177.57 179.51 1u3u h GLY 204 N -0.29 1.11 1.87 2.17 0.00 -1.66 -0.67 103.07 105.61 1u3u h GLY 204 Ca -0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 1u3u h GLY 204 CO 0.05 0.55 -0.33 1.41 0.00 0.00 0.00 176.54 178.21 1u3u h LEU 205 N 1.00 0.15 -0.95 3.11 3.38 -1.17 -1.13 115.31 119.70 1u3u h LEU 205 Ca 0.24 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1u3u h LEU 205 Cb 0.16 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1u3u h LEU 205 CO -0.03 0.48 -0.42 0.28 0.09 0.00 0.00 178.44 178.85 1u3u h SER 206 N 0.13 0.23 -0.26 -0.43 0.02 -1.00 -1.27 113.55 110.98 1u3u h SER 206 Ca 0.02 -0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 1u3u h SER 206 Cb 0.66 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1u3u h SER 206 CO 0.05 0.63 -0.20 0.00 -1.14 0.00 0.00 176.83 176.17 1u3u h ALA 207 N 1.38 0.95 -0.52 3.77 0.00 -0.18 -0.70 119.26 123.96 1u3u h ALA 207 Ca 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1u3u h ALA 207 Cb 0.82 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1u3u h ALA 207 CO 0.06 0.61 0.21 0.28 0.00 0.00 0.00 179.25 180.41 1u3u h VAL 208 N 0.63 1.22 -0.64 0.00 2.07 -0.71 -0.33 116.25 118.49 1u3u h VAL 208 Ca 0.09 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1u3u h VAL 208 Cb 0.68 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1u3u h VAL 208 CO 0.05 0.26 0.31 0.24 0.02 0.00 0.00 177.57 178.45 1u3u h MET 209 N 0.71 0.89 -0.51 1.57 2.86 -0.86 -1.75 114.93 117.84 1u3u h MET 209 Ca 0.17 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 1u3u h MET 209 Cb 0.20 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1u3u h MET 209 CO -0.01 0.69 -0.06 0.78 1.06 0.00 0.00 176.91 179.36 1u3u h GLY 210 N 0.97 1.03 1.02 8.32 0.00 -0.47 -0.54 103.07 113.40 1u3u h GLY 210 Ca 0.22 -0.81 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1u3u h GLY 210 CO -0.03 0.74 0.29 0.00 0.00 0.00 0.00 176.54 177.54 1u3u h LYS 212 N 0.99 0.77 -0.28 0.00 3.64 -1.15 -2.08 116.57 118.47 1u3u h LYS 212 Ca 0.23 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1u3u h LYS 212 Cb 0.19 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1u3u h LYS 212 CO -0.02 0.82 0.05 0.00 -2.27 0.00 0.00 179.45 178.03 1u3u h ALA 213 N 0.93 1.58 0.00 5.00 0.00 -0.79 -1.59 119.26 124.39 1u3u h ALA 213 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u3u h ALA 213 Cb 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1u3u h ALA 213 CO 0.02 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1u3u n ALA 214 N -2.49 2.46 -0.61 0.00 0.00 -0.37 -4.91 120.51 114.59 1u3u n ALA 214 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1u3u n ALA 214 Cb 0.18 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.13 0.64 3.67 0.00 0.00 -0.60 -3.02 105.19 107.02 1u3u n GLY 215 Ca 0.15 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.17 0.91 0.10 4.61 0.00 -0.81 -0.76 120.51 124.38 1u3u n ALA 216 Ca 0.00 0.22 -0.16 0.00 0.00 0.00 0.00 53.44 53.50 1u3u n ALA 216 Cb 0.00 -2.21 -0.14 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 1.72 0.13 -3.87 0.00 0.00 -0.77 -3.43 119.26 113.03 1u3u h ALA 217 Ca -0.47 -0.91 -0.32 0.00 0.00 0.00 0.00 54.91 53.20 1u3u h ALA 217 Cb 1.31 0.03 -0.28 0.00 0.00 0.00 0.00 17.79 18.86 1u3u h ALA 217 CO 0.58 1.01 -0.75 1.03 0.00 0.00 0.00 179.25 181.11 1u3u s ARG 218 N -2.65 0.43 -0.27 0.00 0.52 -1.10 -4.98 118.95 110.90 1u3u s ARG 218 Ca -0.04 -0.22 -0.03 0.00 -0.52 0.00 0.00 55.73 54.92 1u3u s ARG 218 Cb 0.07 -0.41 0.09 0.00 0.52 0.00 0.00 34.95 35.22 1u3u s ARG 218 CO 0.88 0.11 0.11 0.42 0.02 0.00 0.00 175.30 176.84 1u3u s ILE 219 N -0.18 0.25 -0.36 1.52 1.01 -1.26 -0.78 121.20 121.40 1u3u s ILE 219 Ca 0.01 -0.85 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 1u3u s ILE 219 Cb -0.02 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.32 1u3u s ILE 219 CO -0.00 -0.62 0.60 -0.63 0.00 0.00 0.00 174.94 174.29 1u3u s ILE 220 N 1.95 4.92 -0.09 2.92 1.01 0.50 -0.73 121.20 131.68 1u3u s ILE 220 Ca 0.07 0.49 -0.20 0.00 0.00 0.00 0.00 60.65 61.01 1u3u s ILE 220 Cb -0.16 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1u3u s ILE 220 CO -0.28 -0.30 0.57 0.00 0.00 0.00 0.00 174.94 174.92 1u3u s ALA 221 N 2.62 3.42 -0.12 9.38 0.00 0.01 -0.37 121.76 136.71 1u3u s ALA 221 Ca 0.23 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1u3u s ALA 221 Cb -0.15 -2.77 0.01 0.00 0.00 0.00 0.00 23.12 20.22 1u3u s ALA 221 CO 0.15 -0.03 -0.19 0.08 0.00 0.00 0.00 175.76 175.77 1u3u s VAL 222 N 0.64 1.77 -0.19 0.00 1.01 0.18 -0.79 120.40 123.02 1u3u s VAL 222 Ca 0.31 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 1u3u s VAL 222 Cb -0.16 -1.58 0.09 0.00 0.00 0.00 0.00 36.38 34.73 1u3u s VAL 222 CO 0.14 0.49 0.83 -0.62 0.00 0.00 0.00 175.10 175.94 1u3u s ASP 223 N 0.83 -0.58 0.00 3.32 3.68 -1.05 -0.75 116.67 122.12 1u3u s ASP 223 Ca -0.09 0.90 0.30 0.00 2.13 0.00 0.00 52.55 55.79 1u3u s ASP 223 Cb -0.16 0.84 1.39 0.00 -1.45 0.00 0.00 42.92 43.54 1u3u s ASP 223 CO -0.00 -0.35 2.00 2.30 0.13 0.00 0.00 175.17 179.24 1u3u n ILE 224 N 1.68 0.00 -3.54 4.11 -5.35 -1.26 -4.09 119.36 110.90 1u3u n ILE 224 Ca -0.14 -0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 61.92 1u3u n ILE 224 Cb 0.56 -0.50 -0.08 0.00 -1.74 0.00 0.00 39.64 37.89 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 -2.77 5.77 0.32 7.28 2.47 -1.26 -4.95 114.94 121.80 1u3u s ASN 225 Ca 0.22 -2.11 0.23 0.00 0.42 0.00 0.00 52.86 51.62 1u3u s ASN 225 Cb 0.20 -2.02 1.16 0.00 -1.45 0.00 0.00 41.25 39.14 1u3u s ASN 225 CO 0.49 -0.65 1.70 2.29 -3.72 0.00 0.00 177.10 177.21 1u3u n LYS 226 N 4.65 0.16 0.06 0.43 2.85 -1.26 -1.94 118.16 123.11 1u3u n LYS 226 Ca -0.04 0.59 0.09 0.00 -1.05 0.00 0.00 58.31 57.90 1u3u n LYS 226 Cb 0.41 -1.96 0.40 0.00 -0.65 0.00 0.00 35.03 33.23 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 -2.29 0.32 -0.05 -5.58 10.43 -1.26 -2.07 116.55 116.05 1u3u n ASP 227 Ca -0.01 0.58 0.12 0.00 2.57 0.00 0.00 54.79 58.05 1u3u n ASP 227 Cb 0.09 -0.65 0.29 0.00 1.84 0.00 0.00 41.12 42.69 1u3u n ASP 227 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1u3u n LYS 228 N -1.85 0.17 -0.18 -1.24 4.76 -0.82 -4.37 118.16 114.63 1u3u n LYS 228 Ca 0.03 -0.09 -0.03 0.00 -2.87 0.00 0.00 58.31 55.34 1u3u n LYS 228 Cb 0.20 -1.50 0.16 0.00 -1.84 0.00 0.00 35.03 32.05 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 0.23 0.97 -0.31 2.13 0.04 -1.60 -2.38 116.94 116.02 1u3u h PHE 229 Ca 0.00 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 1u3u h PHE 229 Cb 0.50 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1u3u h PHE 229 CO 0.00 0.77 0.19 0.00 -0.60 0.00 0.00 178.31 178.67 1u3u h ALA 230 N 1.31 0.39 -0.51 2.45 0.00 -1.79 -1.22 119.26 119.89 1u3u h ALA 230 Ca 0.21 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1u3u h ALA 230 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1u3u h ALA 230 CO -0.01 -0.12 -0.01 0.87 0.00 0.00 0.00 179.25 179.98 1u3u h LYS 231 N 0.40 0.86 -0.54 0.00 1.79 -1.83 -0.97 116.57 116.28 1u3u h LYS 231 Ca 0.11 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1u3u h LYS 231 Cb -0.01 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 1u3u h LYS 231 CO -0.02 0.87 0.34 0.00 -1.08 0.00 0.00 179.45 179.55 1u3u h ALA 232 N 1.19 0.69 -0.55 3.86 0.00 -0.98 -0.76 119.26 122.72 1u3u h ALA 232 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1u3u h ALA 232 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1u3u h ALA 232 CO 0.02 0.16 0.18 0.87 0.00 0.00 0.00 179.25 180.48 1u3u h LYS 233 N 0.73 0.84 -1.00 0.00 1.57 -1.04 0.67 116.57 118.35 1u3u h LYS 233 Ca 0.20 -0.18 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1u3u h LYS 233 Cb -0.04 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.08 1u3u h LYS 233 CO -0.04 0.77 0.64 1.49 -0.57 0.00 0.00 179.45 181.74 1u3u h GLU 234 N 0.75 1.12 -0.01 3.15 4.81 -0.75 -2.31 114.58 121.34 1u3u h GLU 234 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1u3u h GLU 234 Cb 0.27 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1u3u h GLU 234 CO -0.01 0.74 -0.03 1.28 -0.73 0.00 0.00 179.01 180.27 1u3u n LEU 235 N -4.51 1.19 0.00 1.64 4.77 -0.33 -4.92 117.00 114.83 1u3u n LEU 235 Ca 0.16 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1u3u n LEU 235 Cb 0.20 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1u3u n LEU 235 CO 0.32 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1u3u n GLY 236 N 1.17 1.24 3.71 -0.72 0.00 -0.83 -4.13 105.19 105.62 1u3u n GLY 236 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 1.83 0.01 4.61 0.00 0.17 -4.68 120.51 122.44 1u3u n ALA 237 Ca 0.00 0.39 0.02 0.00 0.00 0.00 0.00 53.44 53.85 1u3u n ALA 237 Cb 0.00 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 16.97 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 2.14 0.91 -3.82 0.00 -2.24 0.10 -4.45 114.28 106.93 1u3u n THR 238 Ca 0.11 -0.67 -0.12 0.00 -2.27 0.00 0.00 64.05 61.10 1u3u n THR 238 Cb 0.34 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 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 -3.02 0.42 -0.08 -0.78 2.02 -1.17 -4.98 118.70 111.11 1u3u s GLU 239 Ca -0.05 -0.06 0.01 0.00 0.02 0.00 0.00 54.97 54.89 1u3u s GLU 239 Cb 0.09 0.19 0.02 0.00 0.10 0.00 0.00 34.13 34.53 1u3u s GLU 239 CO 0.83 -0.09 -0.07 0.00 0.02 0.00 0.00 175.26 175.95 1u3u s ILE 241 N 1.28 1.11 -0.26 0.00 -4.36 0.03 -4.98 121.20 114.02 1u3u s ILE 241 Ca -0.04 -0.92 -0.05 0.00 -0.26 0.00 0.00 60.65 59.38 1u3u s ILE 241 Cb -0.14 -0.99 0.01 0.00 1.25 0.00 0.00 42.46 42.59 1u3u s ILE 241 CO -0.03 0.07 0.02 0.21 0.24 0.00 0.00 174.94 175.44 1u3u s ASN 242 N -0.98 4.73 0.56 4.36 3.84 -1.26 -2.52 114.94 123.67 1u3u s ASN 242 Ca 0.02 -0.62 0.29 0.00 0.21 0.00 0.00 52.86 52.76 1u3u s ASN 242 Cb -0.07 -1.80 1.46 0.00 -0.55 0.00 0.00 41.25 40.29 1u3u s ASN 242 CO 0.01 -0.12 1.93 -0.65 -2.79 0.00 0.00 177.10 175.48 1u3u h PRO 243 N 8.15 0.00 0.00 0.43 0.11 -1.95 -0.54 132.00 138.21 1u3u h PRO 243 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1u3u h PRO 243 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1u3u h PRO 243 CO 0.59 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.34 1u3u h GLN 244 N 0.00 0.00 0.00 1.05 4.20 -1.92 -2.62 115.11 115.82 1u3u h GLN 244 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1u3u h GLN 244 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1u3u h GLN 244 CO -0.00 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.91 1u3u n ASP 245 N -2.75 0.00 -4.62 1.46 10.43 -0.21 -4.90 116.55 115.97 1u3u n ASP 245 Ca -0.00 0.44 -0.30 0.00 2.57 0.00 0.00 54.79 57.50 1u3u n ASP 245 Cb 0.17 -0.48 -0.09 0.00 1.84 0.00 0.00 41.12 42.56 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 -2.96 2.86 -0.08 1.24 1.51 -0.99 -5.00 117.35 113.92 1u3u s TYR 246 Ca 0.15 -0.09 0.14 0.00 -1.01 0.00 0.00 57.07 56.26 1u3u s TYR 246 Cb 0.19 -1.50 -0.18 0.00 -0.11 0.00 0.00 41.96 40.35 1u3u s TYR 246 CO 0.51 0.44 0.75 0.87 -1.11 0.00 0.00 175.55 177.01 1u3u h LYS 247 N 3.70 0.00 -6.78 -0.62 1.57 -1.90 -3.47 116.57 109.06 1u3u h LYS 247 Ca -0.48 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.81 1u3u h LYS 247 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1u3u h LYS 247 CO 0.55 0.40 0.14 0.15 -0.57 0.00 0.00 179.45 180.12 1u3u s LYS 248 N -2.75 4.03 0.37 3.15 1.02 -1.26 -5.03 119.74 119.27 1u3u s LYS 248 Ca -0.04 0.74 -0.28 0.00 0.02 0.00 0.00 55.97 56.41 1u3u s LYS 248 Cb 0.08 -2.39 -0.11 0.00 -0.52 0.00 0.00 37.83 34.90 1u3u s LYS 248 CO 0.82 0.12 1.49 -2.14 -0.92 0.00 0.00 175.35 174.72 1u3u s PRO 249 N -3.03 4.12 0.40 -1.68 0.02 -1.26 -4.83 135.00 128.74 1u3u s PRO 249 Ca 0.55 2.55 0.11 0.00 0.02 0.00 0.00 61.00 64.24 1u3u s PRO 249 Cb -0.10 -2.98 0.92 0.00 0.02 0.00 0.00 34.50 32.36 1u3u s PRO 249 CO 0.17 -0.52 1.94 0.97 -0.33 0.00 0.00 177.00 179.23 1u3u h ILE 250 N 3.02 0.90 -0.19 2.83 6.09 -1.96 -1.30 117.51 126.91 1u3u h ILE 250 Ca -0.50 -0.19 -0.06 0.00 -1.37 0.00 0.00 64.86 62.74 1u3u h ILE 250 Cb 1.24 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 38.81 1u3u h ILE 250 CO 0.66 0.10 -0.15 0.06 -3.07 0.00 0.00 178.15 175.75 1u3u h GLN 251 N 0.56 0.31 -0.19 2.19 -0.00 -1.90 -0.25 115.11 115.82 1u3u h GLN 251 Ca 0.33 -0.08 -0.11 0.00 -0.00 0.00 0.00 58.65 58.79 1u3u h GLN 251 Cb 0.55 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.48 27.99 1u3u h GLN 251 CO -0.11 0.46 -0.31 0.93 -0.00 0.00 0.00 178.83 179.80 1u3u h GLU 252 N 0.29 0.54 -0.33 0.06 5.08 -1.61 -1.39 114.58 117.21 1u3u h GLU 252 Ca 0.06 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1u3u h GLU 252 Cb 0.44 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1u3u h GLU 252 CO 0.03 0.94 0.11 0.28 -1.00 0.00 0.00 179.01 179.36 1u3u h VAL 253 N 0.21 0.89 -0.60 3.13 2.07 -1.06 -1.65 116.25 119.24 1u3u h VAL 253 Ca 0.02 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1u3u h VAL 253 Cb 0.89 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1u3u h VAL 253 CO 0.07 0.04 0.30 -0.07 0.02 0.00 0.00 177.57 177.93 1u3u h LEU 254 N 0.24 0.77 -0.94 2.57 3.38 -0.95 -2.27 115.31 118.11 1u3u h LEU 254 Ca 0.15 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1u3u h LEU 254 Cb 0.13 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1u3u h LEU 254 CO -0.17 0.67 0.30 0.11 0.09 0.00 0.00 178.44 179.45 1u3u h LYS 255 N 0.81 1.06 0.00 1.13 1.57 -1.02 -1.94 116.57 118.18 1u3u h LYS 255 Ca 0.21 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1u3u h LYS 255 Cb 0.10 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1u3u h LYS 255 CO -0.03 0.86 0.00 0.93 -0.57 0.00 0.00 179.45 180.64 1u3u h GLU 256 N 1.04 0.00 0.00 3.15 5.08 -0.99 -0.45 114.58 122.42 1u3u h GLU 256 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1u3u h GLU 256 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1u3u h GLU 256 CO -0.02 0.00 -0.74 -1.33 -1.00 0.00 0.00 179.01 175.92 1u3u n MET 257 N -2.61 0.25 -1.37 2.33 2.81 -0.78 -4.45 117.12 113.30 1u3u n MET 257 Ca 0.02 0.05 0.02 0.00 -1.81 0.00 0.00 57.70 55.97 1u3u n MET 257 Cb 0.30 -1.63 0.09 0.00 -0.71 0.00 0.00 33.22 31.27 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 -1.98 1.20 -3.62 2.03 -2.24 -0.74 -5.00 114.28 103.93 1u3u n THR 258 Ca 0.03 -2.35 -0.23 0.00 -2.27 0.00 0.00 64.05 59.23 1u3u n THR 258 Cb 0.42 0.37 0.07 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.34 -4.32 0.00 3.42 4.64 -1.09 -2.86 116.55 116.00 1u3u n ASP 259 Ca 0.15 -0.63 0.00 0.00 -1.38 0.00 0.00 54.79 52.92 1u3u n ASP 259 Cb 0.92 -4.76 0.00 0.00 -1.04 0.00 0.00 41.12 36.24 1u3u n ASP 259 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1u3u n GLY 260 N -1.67 0.41 0.00 0.27 0.00 -0.25 -5.01 105.19 98.94 1u3u n GLY 260 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.87 4.31 3.82 -0.02 0.00 -1.13 -4.23 105.19 106.06 1u3u n GLY 261 Ca 0.00 -1.43 -0.31 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 -2.08 3.99 0.14 1.61 -7.23 -0.53 -3.96 120.40 112.35 1u3u s VAL 262 Ca 0.00 0.67 -0.04 0.00 -1.81 0.00 0.00 61.98 60.80 1u3u s VAL 262 Cb 0.00 -3.38 -0.15 0.00 0.56 0.00 0.00 36.38 33.40 1u3u s VAL 262 CO 0.00 -0.81 1.35 0.44 -0.31 0.00 0.00 175.10 175.77 1u3u h ASP 263 N -0.61 0.55 -3.40 4.85 3.45 -1.49 0.05 116.42 119.83 1u3u h ASP 263 Ca -0.44 -0.40 -0.37 0.00 0.43 0.00 0.00 57.03 56.25 1u3u h ASP 263 Cb 1.21 -0.17 -0.36 0.00 -0.56 0.00 0.00 39.33 39.46 1u3u h ASP 263 CO 0.57 1.18 -0.75 -0.36 -1.57 0.00 0.00 179.24 178.31 1u3u s PHE 264 N -3.44 0.31 0.07 4.55 0.08 -0.68 -0.92 117.98 117.95 1u3u s PHE 264 Ca -0.06 0.03 0.08 0.00 0.12 0.00 0.00 56.93 57.11 1u3u s PHE 264 Cb 0.09 -0.50 -0.03 0.00 -0.57 0.00 0.00 43.02 42.02 1u3u s PHE 264 CO 0.86 -0.18 -0.23 -1.54 -0.10 0.00 0.00 175.22 174.03 1u3u s SER 265 N 1.48 2.78 -0.06 1.36 1.04 -0.37 -0.79 113.70 119.15 1u3u s SER 265 Ca -0.03 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.82 1u3u s SER 265 Cb -0.13 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.78 1u3u s SER 265 CO -0.03 0.17 -0.11 -0.36 0.98 0.00 0.00 173.24 173.89 1u3u s PHE 266 N -0.89 1.33 -0.27 5.02 0.08 -0.00 -0.72 117.98 122.53 1u3u s PHE 266 Ca 0.09 -0.46 -0.09 0.00 0.12 0.00 0.00 56.93 56.59 1u3u s PHE 266 Cb -0.09 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.34 1u3u s PHE 266 CO 0.03 -0.23 0.13 -2.00 -0.10 0.00 0.00 175.22 173.05 1u3u s GLU 267 N 0.58 3.81 -0.38 0.44 -6.30 -0.43 -0.94 118.70 115.48 1u3u s GLU 267 Ca -0.12 -0.39 0.13 0.00 -2.50 0.00 0.00 54.97 52.08 1u3u s GLU 267 Cb -0.14 -3.50 0.41 0.00 0.00 0.00 0.00 34.13 30.89 1u3u s GLU 267 CO 0.03 -0.18 0.91 0.28 0.02 0.00 0.00 175.26 176.31 1u3u n VAL 268 N 5.00 1.10 0.11 3.70 0.31 0.33 -0.64 118.33 128.24 1u3u n VAL 268 Ca -0.15 -4.09 0.00 0.00 -0.01 0.00 0.00 64.34 60.09 1u3u n VAL 268 Cb 0.52 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 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 -0.05 0.40 0.00 2.52 5.41 -1.25 -4.53 119.36 121.86 1u3u n ILE 269 Ca 0.21 0.13 0.00 0.00 1.00 0.00 0.00 62.75 64.09 1u3u n ILE 269 Cb 0.70 -0.87 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 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 2.17 1.93 3.32 7.39 0.00 -1.26 -4.57 105.19 114.17 1u3u n GLY 270 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.35 1.69 0.24 1.61 0.52 -1.26 -4.08 118.95 117.32 1u3u s ARG 271 Ca 0.00 -1.08 -0.05 0.00 -0.52 0.00 0.00 55.73 54.08 1u3u s ARG 271 Cb 0.00 -1.87 0.25 0.00 0.52 0.00 0.00 34.95 33.85 1u3u s ARG 271 CO 0.00 0.48 1.75 -0.07 0.02 0.00 0.00 175.30 177.48 1u3u h LEU 272 N 4.77 0.92 -0.68 2.53 3.38 -1.98 -1.18 115.31 123.07 1u3u h LEU 272 Ca -0.46 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.25 1u3u h LEU 272 Cb 1.15 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1u3u h LEU 272 CO 0.43 0.91 0.15 -2.24 0.09 0.00 0.00 178.44 177.79 1u3u h ASP 273 N 0.92 1.04 0.98 -0.43 3.04 -1.99 -1.48 116.42 118.50 1u3u h ASP 273 Ca 0.19 -0.24 -0.13 0.00 -3.24 0.00 0.00 57.03 53.61 1u3u h ASP 273 Cb 0.38 -0.28 -0.02 0.00 -1.04 0.00 0.00 39.33 38.38 1u3u h ASP 273 CO 0.01 1.02 -0.60 0.71 -2.04 0.00 0.00 179.24 178.33 1u3u h THR 274 N 1.03 1.19 -0.42 1.15 1.35 -1.96 -1.22 112.91 114.02 1u3u h THR 274 Ca 0.21 -2.25 -0.11 0.00 -0.55 0.00 0.00 66.41 63.71 1u3u h THR 274 Cb 0.39 2.30 -0.02 0.00 -1.73 0.00 0.00 68.15 69.10 1u3u h THR 274 CO 0.01 0.59 -0.17 0.24 -0.25 0.00 0.00 175.52 175.94 1u3u h MET 275 N 0.00 0.81 -0.17 4.72 2.86 -0.86 0.08 114.93 122.37 1u3u h MET 275 Ca -0.01 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.27 1u3u h MET 275 Cb 1.26 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 1u3u h MET 275 CO 0.08 0.92 -0.16 1.98 1.06 0.00 0.00 176.91 180.79 1u3u h MET 276 N 0.71 0.41 -0.67 1.72 -1.53 -1.17 -2.27 114.93 112.13 1u3u h MET 276 Ca 0.11 -0.21 0.00 0.00 -3.44 0.00 0.00 59.70 56.16 1u3u h MET 276 Cb 0.67 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.70 1u3u h MET 276 CO 0.05 0.77 0.43 0.00 0.14 0.00 0.00 176.91 178.29 1u3u h ALA 277 N 0.63 0.85 -0.43 0.39 0.00 -1.11 -0.55 119.26 119.04 1u3u h ALA 277 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u3u h ALA 277 Cb 0.68 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1u3u h ALA 277 CO 0.04 0.29 0.25 1.03 0.00 0.00 0.00 179.25 180.86 1u3u h SER 278 N 0.90 0.52 -0.29 0.00 0.87 -0.97 -0.56 113.55 114.03 1u3u h SER 278 Ca 0.24 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1u3u h SER 278 Cb -0.07 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1u3u h SER 278 CO -0.05 0.44 0.13 0.25 -0.53 0.00 0.00 176.83 177.07 1u3u h LEU 279 N 0.56 0.39 -1.75 2.23 5.85 -1.04 -2.88 115.31 118.67 1u3u h LEU 279 Ca 0.15 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1u3u h LEU 279 Cb 0.02 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1u3u h LEU 279 CO -0.03 0.43 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.28 1u3u h LEU 280 N 0.33 0.00 0.00 2.25 3.38 -0.93 -3.06 115.31 117.28 1u3u h LEU 280 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1u3u h LEU 280 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1u3u h LEU 280 CO -0.01 0.16 -0.16 0.00 0.09 0.00 0.00 178.44 178.52 1u3u n HIS 283 N 0.24 1.97 0.31 0.00 -0.00 0.01 -4.70 115.22 113.04 1u3u n HIS 283 Ca 0.01 0.45 0.18 0.00 0.46 0.00 0.00 57.72 58.81 1u3u n HIS 283 Cb 0.52 -2.44 0.98 0.00 -0.12 0.00 0.00 29.99 28.93 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 4.74 0.00 0.00 1.57 4.11 -1.92 0.24 114.58 123.33 1u3u h GLU 284 Ca -0.45 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.81 1u3u h GLU 284 Cb 1.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1u3u h GLU 284 CO 0.80 0.03 -2.12 0.00 0.07 0.00 0.00 179.01 177.78 1u3u n ALA 285 N -2.19 2.18 -1.47 1.06 0.00 -1.26 -2.81 120.51 116.01 1u3u n ALA 285 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1u3u n ALA 285 Cb 0.14 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.43 2.27 -0.06 0.00 0.00 0.84 -4.84 107.32 105.10 1u3u s GLY 287 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.79 1u3u s GLY 287 CO 0.00 0.26 -0.11 -1.59 0.00 0.00 0.00 173.10 171.65 1u3u s THR 288 N -2.09 1.05 -0.08 0.90 2.01 -0.10 -1.85 115.64 115.48 1u3u s THR 288 Ca 0.55 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 62.15 1u3u s THR 288 Cb -0.10 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.45 1u3u s THR 288 CO 0.20 0.33 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.72 1u3u s SER 289 N 0.66 2.54 -0.16 3.53 0.15 0.14 -1.23 113.70 119.32 1u3u s SER 289 Ca -0.14 -0.45 -0.02 0.00 0.70 0.00 0.00 55.95 56.05 1u3u s SER 289 Cb -0.15 -1.09 -0.01 0.00 -1.71 0.00 0.00 66.02 63.05 1u3u s SER 289 CO 0.03 0.12 -0.10 -0.69 1.20 0.00 0.00 173.24 173.80 1u3u s VAL 290 N 0.39 3.18 -0.17 4.45 1.01 0.10 -0.91 120.40 128.45 1u3u s VAL 290 Ca -0.15 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 1u3u s VAL 290 Cb -0.16 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1u3u s VAL 290 CO 0.06 0.49 0.52 -0.63 0.00 0.00 0.00 175.10 175.54 1u3u s ILE 291 N 0.73 5.12 -0.02 2.22 1.01 0.99 -1.31 121.20 129.93 1u3u s ILE 291 Ca -0.05 0.97 0.01 0.00 0.00 0.00 0.00 60.65 61.59 1u3u s ILE 291 Cb -0.15 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1u3u s ILE 291 CO 0.02 0.22 -0.01 0.52 0.00 0.00 0.00 174.94 175.68 1u3u n VAL 292 N 4.28 0.14 -1.99 2.92 0.31 0.19 -3.30 118.33 120.88 1u3u n VAL 292 Ca -0.05 -0.06 -0.37 0.00 -0.01 0.00 0.00 64.34 63.85 1u3u n VAL 292 Cb 0.51 -0.69 0.03 0.00 -0.91 0.00 0.00 33.84 32.78 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 -3.96 2.79 -0.25 2.92 0.00 -0.55 -4.93 107.32 103.33 1u3u s GLY 293 Ca -0.03 1.08 -0.20 0.00 0.00 0.00 0.00 44.72 45.57 1u3u s GLY 293 CO 0.06 1.51 0.62 0.14 0.00 0.00 0.00 173.10 175.43 1u3u s VAL 294 N -1.51 4.99 0.74 1.40 1.01 -1.26 -4.64 120.40 121.13 1u3u s VAL 294 Ca 0.74 1.11 -0.11 0.00 0.00 0.00 0.00 61.98 63.72 1u3u s VAL 294 Cb -0.33 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.16 1u3u s VAL 294 CO 0.37 0.03 1.08 -2.16 0.00 0.00 0.00 175.10 174.42 1u3u s PRO 295 N 2.48 2.58 0.32 2.72 0.04 -1.26 -4.44 135.00 137.45 1u3u s PRO 295 Ca 0.26 0.76 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 1u3u s PRO 295 Cb -0.15 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 1u3u s PRO 295 CO 0.09 -1.30 1.30 -2.14 0.04 0.00 0.00 177.00 174.98 1u3u s PRO 296 N -5.13 4.37 0.05 0.56 0.02 -1.26 -4.84 135.00 128.77 1u3u s PRO 296 Ca 0.59 2.20 -0.38 0.00 0.02 0.00 0.00 61.00 63.43 1u3u s PRO 296 Cb -0.14 -3.08 -0.18 0.00 0.02 0.00 0.00 34.50 31.12 1u3u s PRO 296 CO 0.54 -0.17 1.17 0.00 -0.33 0.00 0.00 177.00 178.21 1u3u n ALA 297 N 0.88 -2.40 -1.80 -1.55 0.00 -0.14 -2.46 120.51 113.05 1u3u n ALA 297 Ca 0.00 0.56 -0.17 0.00 0.00 0.00 0.00 53.44 53.83 1u3u n ALA 297 Cb 0.42 -1.90 -0.05 0.00 0.00 0.00 0.00 19.45 17.92 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 1.96 -4.69 -4.71 0.00 7.64 -1.26 -4.98 113.62 107.58 1u3u n SER 298 Ca 0.19 0.31 -0.35 0.00 1.01 0.00 0.00 58.87 60.03 1u3u n SER 298 Cb 0.14 -4.13 -0.09 0.00 -1.01 0.00 0.00 64.21 59.12 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 -3.98 3.03 0.15 1.43 -0.21 -1.03 -5.11 119.66 113.94 1u3u s GLN 299 Ca 0.00 -0.38 0.08 0.00 0.02 0.00 0.00 55.36 55.09 1u3u s GLN 299 Cb 0.00 -2.84 -0.04 0.00 1.00 0.00 0.00 33.01 31.13 1u3u s GLN 299 CO 0.00 0.71 -0.10 -0.80 -2.12 0.00 0.00 175.29 172.98 1u3u s ASN 300 N -0.92 4.30 0.21 5.90 -0.87 -1.26 -4.91 114.94 117.39 1u3u s ASN 300 Ca 0.14 -0.51 -0.04 0.00 -1.57 0.00 0.00 52.86 50.89 1u3u s ASN 300 Cb -0.11 -0.76 -0.05 0.00 -0.02 0.00 0.00 41.25 40.30 1u3u s ASN 300 CO 0.03 0.13 0.44 -0.76 -2.57 0.00 0.00 177.10 174.36 1u3u s LEU 301 N -2.59 4.19 -0.31 0.60 1.43 -1.26 -5.08 118.68 115.66 1u3u s LEU 301 Ca 0.23 0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 53.87 1u3u s LEU 301 Cb -0.10 -3.33 0.05 0.00 0.03 0.00 0.00 46.19 42.84 1u3u s LEU 301 CO 0.15 -0.05 0.02 -0.55 0.23 0.00 0.00 176.35 176.14 1u3u s SER 302 N -2.89 4.97 -0.01 2.29 0.15 -1.26 -5.10 113.70 111.86 1u3u s SER 302 Ca 0.41 -1.23 0.06 0.00 0.70 0.00 0.00 55.95 55.89 1u3u s SER 302 Cb -0.11 -1.75 -0.02 0.00 -1.71 0.00 0.00 66.02 62.44 1u3u s SER 302 CO 0.27 -0.27 -0.19 0.27 1.20 0.00 0.00 173.24 174.53 1u3u s ILE 303 N 1.29 1.48 -0.18 6.45 -4.36 -1.26 -5.11 121.20 119.51 1u3u s ILE 303 Ca -0.04 -0.82 -0.27 0.00 -0.26 0.00 0.00 60.65 59.25 1u3u s ILE 303 Cb -0.20 -1.23 -0.01 0.00 1.25 0.00 0.00 42.46 42.28 1u3u s ILE 303 CO -0.00 0.40 0.92 0.21 0.24 0.00 0.00 174.94 176.71 1u3u s ASN 304 N -0.49 7.04 0.64 4.36 3.84 -1.26 -4.93 114.94 124.14 1u3u s ASN 304 Ca 0.07 1.28 0.34 0.00 0.21 0.00 0.00 52.86 54.77 1u3u s ASN 304 Cb -0.07 -2.49 1.90 0.00 -0.55 0.00 0.00 41.25 40.03 1u3u s ASN 304 CO -0.01 -0.49 2.12 -0.65 -2.79 0.00 0.00 177.10 175.28 1u3u h PRO 305 N 7.36 0.00 0.00 0.43 0.11 -2.02 -0.69 132.00 137.19 1u3u h PRO 305 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1u3u h PRO 305 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1u3u h PRO 305 CO 0.88 0.00 -0.00 0.52 -0.21 0.00 0.00 178.00 179.19 1u3u h MET 306 N 0.00 0.00 -0.04 1.05 2.86 -1.99 -0.31 114.93 116.51 1u3u h MET 306 Ca 0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1u3u h MET 306 Cb 0.41 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1u3u h MET 306 CO -0.00 0.00 -0.04 -0.07 1.06 0.00 0.00 176.91 177.86 1u3u h LEU 307 N 0.00 0.05 0.08 1.22 3.38 -1.52 -2.96 115.31 115.56 1u3u h LEU 307 Ca -0.00 -0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 1u3u h LEU 307 Cb 0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1u3u h LEU 307 CO 0.00 0.11 -2.10 0.18 0.09 0.00 0.00 178.44 176.72 1u3u n LEU 308 N -4.45 2.48 -0.04 1.67 4.77 -0.22 -4.21 117.00 116.99 1u3u n LEU 308 Ca -0.02 0.14 0.21 0.00 -0.03 0.00 0.00 56.01 56.31 1u3u n LEU 308 Cb 0.15 -0.90 0.69 0.00 -2.33 0.00 0.00 43.42 41.03 1u3u n LEU 308 CO 0.35 0.82 1.20 0.25 -1.33 0.00 0.00 177.39 178.68 1u3u h LEU 309 N 0.05 0.01 -0.79 2.23 5.85 -1.13 -0.45 115.31 121.09 1u3u h LEU 309 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1u3u h LEU 309 Cb 2.01 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.04 1u3u h LEU 309 CO 0.04 0.01 0.00 0.71 -0.34 0.00 0.00 178.44 178.86 1u3u h THR 310 N 0.02 0.00 0.00 1.05 1.35 -1.75 -3.45 112.91 110.12 1u3u h THR 310 Ca 0.29 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1u3u h THR 310 Cb 1.12 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1u3u h THR 310 CO -0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.87 1u3u n GLY 311 N 0.28 -0.62 3.85 5.82 0.00 -0.21 -4.39 105.19 109.92 1u3u n GLY 311 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 3.62 -0.13 1.61 0.52 -1.03 -4.34 118.95 119.20 1u3u s ARG 312 Ca 0.00 0.91 0.01 0.00 -0.52 0.00 0.00 55.73 56.13 1u3u s ARG 312 Cb 0.00 -2.09 0.02 0.00 0.52 0.00 0.00 34.95 33.40 1u3u s ARG 312 CO 0.00 -0.55 -0.15 0.99 0.02 0.00 0.00 175.30 175.62 1u3u s THR 313 N -2.86 1.56 -0.16 0.02 2.01 -0.77 -4.82 115.64 110.61 1u3u s THR 313 Ca 0.58 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.94 1u3u s THR 313 Cb -0.12 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 70.95 1u3u s THR 313 CO 0.43 0.45 -0.17 0.86 -0.69 0.00 0.00 174.62 175.51 1u3u s TRP 314 N 1.28 2.77 0.15 4.92 -0.00 -1.26 -0.69 118.94 126.11 1u3u s TRP 314 Ca 0.00 -1.17 -0.06 0.00 -0.00 0.00 0.00 56.10 54.88 1u3u s TRP 314 Cb -0.14 -1.89 -0.02 0.00 -0.00 0.00 0.00 33.47 31.42 1u3u s TRP 314 CO -0.07 -0.54 0.20 -1.59 -0.00 0.00 0.00 176.95 174.95 1u3u s LYS 315 N 0.91 1.06 0.17 5.86 -2.85 -0.09 -4.98 119.74 119.82 1u3u s LYS 315 Ca -0.04 -1.26 0.00 0.00 -1.00 0.00 0.00 55.97 53.68 1u3u s LYS 315 Cb -0.15 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 35.90 1u3u s LYS 315 CO -0.02 -0.36 0.05 0.20 0.10 0.00 0.00 175.35 175.32 1u3u s GLY 316 N -2.99 1.24 -0.04 0.59 0.00 -1.26 -0.01 107.32 104.86 1u3u s GLY 316 Ca 0.19 -1.60 -0.29 0.00 0.00 0.00 0.00 44.72 43.02 1u3u s GLY 316 CO 0.00 -1.46 0.89 0.00 0.00 0.00 0.00 173.10 172.53 1u3u s ALA 317 N -3.88 -1.84 0.19 3.20 0.00 -1.21 -4.93 121.76 113.30 1u3u s ALA 317 Ca 0.28 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.43 1u3u s ALA 317 Cb 0.07 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1u3u s ALA 317 CO 0.06 -0.59 0.15 0.14 0.00 0.00 0.00 175.76 175.52 1u3u s VAL 318 N -2.59 4.47 -1.43 0.00 -7.23 -1.26 -4.62 120.40 107.73 1u3u s VAL 318 Ca 0.02 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1u3u s VAL 318 Cb -0.01 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.61 1u3u s VAL 318 CO -0.06 -0.18 0.00 -1.22 -0.31 0.00 0.00 175.10 173.34 1u3u n TYR 319 N -0.58 -0.94 -1.67 2.82 0.53 -1.26 -1.40 117.16 114.66 1u3u n TYR 319 Ca -0.08 0.00 -0.20 0.00 -1.02 0.00 0.00 57.90 56.60 1u3u n TYR 319 Cb 0.56 -3.10 -0.08 0.00 -1.03 0.00 0.00 39.34 35.69 1u3u n TYR 319 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1u3u n GLY 320 N -0.69 1.67 2.89 2.72 0.00 -1.23 -2.06 105.19 108.48 1u3u n GLY 320 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.56 1.77 3.73 -0.02 0.00 -0.49 -3.55 105.19 106.06 1u3u n GLY 321 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.53 3.37 -0.12 1.61 0.40 -0.87 -4.64 117.98 114.21 1u3u s PHE 322 Ca 0.00 1.31 -0.29 0.00 -0.60 0.00 0.00 56.93 57.35 1u3u s PHE 322 Cb 0.00 -3.49 -0.04 0.00 0.51 0.00 0.00 43.02 40.00 1u3u s PHE 322 CO 0.00 -1.49 1.55 0.15 0.70 0.00 0.00 175.22 176.13 1u3u s LYS 323 N 0.11 4.12 0.11 0.44 1.02 -1.26 -4.85 119.74 119.42 1u3u s LYS 323 Ca 0.56 1.95 -0.26 0.00 0.02 0.00 0.00 55.97 58.23 1u3u s LYS 323 Cb -0.33 -3.94 -0.09 0.00 -0.52 0.00 0.00 37.83 32.95 1u3u s LYS 323 CO 0.35 -0.90 1.65 0.66 -0.92 0.00 0.00 175.35 176.20 1u3u h SER 324 N 9.42 -0.64 -0.03 2.83 4.64 -1.83 0.14 113.55 128.08 1u3u h SER 324 Ca -0.35 0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 60.90 1u3u h SER 324 Cb 1.15 0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 1u3u h SER 324 CO 0.97 -0.31 -0.45 0.50 -0.87 0.00 0.00 176.83 176.66 1u3u h LYS 325 N -0.42 0.57 0.07 4.77 3.64 -1.86 -1.77 116.57 121.57 1u3u h LYS 325 Ca 0.03 -0.32 -0.25 0.00 -1.27 0.00 0.00 60.65 58.84 1u3u h LYS 325 Cb 0.44 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1u3u h LYS 325 CO -0.13 0.91 -1.21 0.93 -2.27 0.00 0.00 179.45 177.68 1u3u h GLU 326 N 0.46 0.14 0.16 1.90 5.08 -1.96 -3.39 114.58 116.97 1u3u h GLU 326 Ca 0.03 -0.24 -0.30 0.00 -1.00 0.00 0.00 59.36 57.84 1u3u h GLU 326 Cb 0.97 0.09 0.03 0.00 0.50 0.00 0.00 28.75 30.35 1u3u h GLU 326 CO 0.09 1.07 -1.28 0.78 -1.00 0.00 0.00 179.01 178.68 1u3u h GLY 327 N 2.29 0.66 0.94 -3.84 0.00 -0.66 -3.33 103.07 99.12 1u3u h GLY 327 Ca -0.11 -1.46 0.01 0.00 0.00 0.00 0.00 47.33 45.77 1u3u h GLY 327 CO 0.16 1.29 0.32 -2.22 0.00 0.00 0.00 176.54 176.09 1u3u h ILE 328 N 0.18 1.09 -0.10 2.60 5.03 -1.51 -2.32 117.51 122.49 1u3u h ILE 328 Ca -0.21 -0.22 -0.05 0.00 -0.12 0.00 0.00 64.86 64.26 1u3u h ILE 328 Cb 1.96 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 36.13 1u3u h ILE 328 CO 0.24 0.12 -0.16 -0.65 -0.68 0.00 0.00 178.15 177.02 1u3u h PRO 329 N 0.65 0.15 -0.48 2.37 0.11 -1.76 -1.23 132.00 131.82 1u3u h PRO 329 Ca 0.20 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.15 1u3u h PRO 329 Cb -0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1u3u h PRO 329 CO -0.07 0.32 -0.19 0.87 -0.21 0.00 0.00 178.00 178.73 1u3u h LYS 330 N 0.15 0.96 -0.51 1.05 1.57 -1.58 0.49 116.57 118.70 1u3u h LYS 330 Ca 0.03 -0.39 -0.10 0.00 -1.87 0.00 0.00 60.65 58.32 1u3u h LYS 330 Cb 0.37 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1u3u h LYS 330 CO 0.02 1.06 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.81 1u3u h LEU 331 N 0.84 0.92 -0.60 2.94 3.38 -0.88 -0.28 115.31 121.62 1u3u h LEU 331 Ca 0.12 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1u3u h LEU 331 Cb 0.75 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1u3u h LEU 331 CO 0.06 1.02 0.13 0.58 0.09 0.00 0.00 178.44 180.32 1u3u h VAL 332 N 0.84 1.25 -0.71 1.22 2.07 -0.94 -0.80 116.25 119.18 1u3u h VAL 332 Ca 0.14 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1u3u h VAL 332 Cb 0.60 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1u3u h VAL 332 CO 0.04 0.35 0.29 0.00 0.02 0.00 0.00 177.57 178.26 1u3u h ALA 333 N 1.03 1.17 -0.62 1.67 0.00 -0.57 -0.07 119.26 121.87 1u3u h ALA 333 Ca 0.19 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1u3u h ALA 333 Cb 0.38 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1u3u h ALA 333 CO 0.01 0.60 0.10 -0.44 0.00 0.00 0.00 179.25 179.52 1u3u h ASP 334 N 1.02 0.96 -0.37 0.00 3.32 -0.67 -0.84 116.42 119.85 1u3u h ASP 334 Ca 0.24 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1u3u h ASP 334 Cb 0.19 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1u3u h ASP 334 CO -0.02 0.96 0.16 0.15 -1.72 0.00 0.00 179.24 178.76 1u3u h PHE 335 N 0.95 0.55 0.00 4.55 3.04 -0.46 -0.83 116.94 124.73 1u3u h PHE 335 Ca 0.19 -0.04 -0.05 0.00 3.98 0.00 0.00 57.97 62.06 1u3u h PHE 335 Cb 0.41 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1u3u h PHE 335 CO 0.03 0.49 -0.23 0.52 -2.02 0.00 0.00 178.31 177.10 1u3u h MET 336 N 0.45 0.00 -0.03 1.11 2.86 -0.66 -0.84 114.93 117.82 1u3u h MET 336 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1u3u h MET 336 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1u3u h MET 336 CO -0.01 0.23 0.00 0.00 1.06 0.00 0.00 176.91 178.19 1u3u n ALA 337 N -2.49 2.60 -1.82 6.32 0.00 -0.35 -4.91 120.51 119.87 1u3u n ALA 337 Ca -0.02 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 1u3u n ALA 337 Cb 0.29 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.56 -0.96 0.13 0.00 5.02 -0.32 -4.91 118.16 116.56 1u3u n LYS 338 Ca 0.16 0.78 0.01 0.00 -2.02 0.00 0.00 58.31 57.24 1u3u n LYS 338 Cb 0.14 -4.91 0.34 0.00 -0.02 0.00 0.00 35.03 30.57 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 0.17 -3.53 1.97 6.56 -1.36 -3.45 116.57 116.93 1u3u h LYS 339 Ca -0.28 -0.06 -0.06 0.00 -1.06 0.00 0.00 60.65 59.19 1u3u h LYS 339 Cb 1.04 -0.01 -0.13 0.00 -0.57 0.00 0.00 32.23 32.56 1u3u h LYS 339 CO 0.37 0.44 -0.15 -0.59 -2.06 0.00 0.00 179.45 177.47 1u3u s PHE 340 N -4.41 -0.03 0.22 -1.35 -0.71 -1.26 -5.05 117.98 105.40 1u3u s PHE 340 Ca -0.04 -0.32 0.11 0.00 -1.04 0.00 0.00 56.93 55.64 1u3u s PHE 340 Cb 0.15 0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 42.09 1u3u s PHE 340 CO 0.74 -0.72 -0.22 0.45 -1.34 0.00 0.00 175.22 174.13 1u3u s SER 341 N -2.85 3.45 0.00 1.98 0.15 -1.26 -4.71 113.70 110.45 1u3u s SER 341 Ca 0.07 -0.92 0.06 0.00 0.70 0.00 0.00 55.95 55.86 1u3u s SER 341 Cb 0.02 -0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 1u3u s SER 341 CO -0.08 0.09 0.55 0.18 1.20 0.00 0.00 173.24 175.17 1u3u n LEU 342 N -0.02 1.10 -0.25 3.45 4.77 -1.26 -4.75 117.00 120.03 1u3u n LEU 342 Ca -0.10 -0.82 0.05 0.00 -0.03 0.00 0.00 56.01 55.11 1u3u n LEU 342 Cb 0.57 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.85 1u3u n LEU 342 CO 0.32 0.23 1.01 0.44 -1.33 0.00 0.00 177.39 178.06 1u3u h ASP 343 N 0.84 0.25 0.01 -1.43 3.45 -1.96 -1.10 116.42 116.48 1u3u h ASP 343 Ca 0.00 0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.57 1u3u h ASP 343 Cb 0.23 0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1u3u h ASP 343 CO 0.00 0.09 -0.01 0.00 -1.57 0.00 0.00 179.24 177.75 1u3u h ALA 344 N 1.55 1.78 0.00 3.45 0.00 -2.03 -2.24 119.26 121.78 1u3u h ALA 344 Ca 0.41 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.20 1u3u h ALA 344 Cb 0.63 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1u3u h ALA 344 CO -0.41 0.01 -0.71 -0.07 0.00 0.00 0.00 179.25 178.07 1u3u h LEU 345 N 0.00 0.00 -8.16 0.00 3.38 -1.55 -3.42 115.31 105.55 1u3u h LEU 345 Ca -0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1u3u h LEU 345 Cb 0.01 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.57 1u3u h LEU 345 CO 0.00 0.52 0.20 -0.63 0.09 0.00 0.00 178.44 178.62 1u3u s ILE 346 N -2.96 4.76 -0.14 1.22 1.01 -0.84 -0.83 121.20 123.42 1u3u s ILE 346 Ca 0.02 -0.95 0.20 0.00 0.00 0.00 0.00 60.65 59.92 1u3u s ILE 346 Cb 0.08 -4.53 -0.15 0.00 0.01 0.00 0.00 42.46 37.87 1u3u s ILE 346 CO 0.76 -1.19 0.74 0.35 0.00 0.00 0.00 174.94 175.61 1u3u n THR 347 N 5.57 0.72 -3.87 2.92 -2.24 -0.70 -4.95 114.28 111.73 1u3u n THR 347 Ca -0.07 -0.61 -0.11 0.00 -2.27 0.00 0.00 64.05 60.99 1u3u n THR 347 Cb 0.43 -0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.16 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 -3.18 0.04 -0.03 4.78 3.76 -1.17 -5.00 115.29 114.49 1u3u s HIS 348 Ca -0.04 -0.12 0.02 0.00 -0.15 0.00 0.00 55.06 54.77 1u3u s HIS 348 Cb 0.10 -0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.75 1u3u s HIS 348 CO 0.83 -0.26 -0.06 0.08 -0.85 0.00 0.00 174.74 174.47 1u3u s VAL 349 N -1.28 0.60 0.03 -0.90 1.01 -1.26 -1.30 120.40 117.30 1u3u s VAL 349 Ca -0.14 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 1u3u s VAL 349 Cb -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1u3u s VAL 349 CO 0.01 0.21 0.17 -0.76 0.00 0.00 0.00 175.10 174.74 1u3u s LEU 350 N 0.45 1.45 0.55 3.92 1.43 -0.67 -4.97 118.68 120.84 1u3u s LEU 350 Ca -0.06 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 52.50 1u3u s LEU 350 Cb -0.10 0.87 -0.06 0.00 0.03 0.00 0.00 46.19 46.93 1u3u s LEU 350 CO 0.00 -0.52 1.07 -2.16 0.23 0.00 0.00 176.35 174.97 1u3u s PRO 351 N -2.36 3.47 0.38 1.29 0.04 -1.26 -0.65 135.00 135.90 1u3u s PRO 351 Ca -0.07 1.37 0.18 0.00 0.04 0.00 0.00 61.00 62.52 1u3u s PRO 351 Cb -0.02 -2.04 1.11 0.00 0.04 0.00 0.00 34.50 33.58 1u3u s PRO 351 CO -0.03 -0.71 1.71 0.35 0.04 0.00 0.00 177.00 178.36 1u3u h PHE 352 N 1.00 0.77 -0.01 0.56 3.57 -1.02 0.26 116.94 122.07 1u3u h PHE 352 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1u3u h PHE 352 Cb 1.23 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 1u3u h PHE 352 CO 0.56 -0.04 0.01 0.93 -2.23 0.00 0.00 178.31 177.55 1u3u h GLU 353 N 0.37 0.00 -1.00 1.11 3.07 -1.91 -1.85 114.58 114.37 1u3u h GLU 353 Ca 0.67 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 59.03 1u3u h GLU 353 Cb 1.66 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 29.28 1u3u h GLU 353 CO -0.42 0.00 0.64 1.63 -1.40 0.00 0.00 179.01 179.45 1u3u n LYS 354 N -3.48 2.21 -0.30 2.33 5.02 0.08 -4.65 118.16 119.37 1u3u n LYS 354 Ca -0.03 -2.85 0.11 0.00 -2.02 0.00 0.00 58.31 53.52 1u3u n LYS 354 Cb 0.09 -2.12 0.35 0.00 -0.02 0.00 0.00 35.03 33.33 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 0.95 0.84 -0.55 -0.18 2.10 -1.47 -1.41 117.51 117.79 1u3u h ILE 355 Ca 0.60 -0.26 -0.06 0.00 1.08 0.00 0.00 64.86 66.22 1u3u h ILE 355 Cb 2.61 0.01 -0.02 0.00 -1.09 0.00 0.00 36.82 38.33 1u3u h ILE 355 CO 1.08 0.14 0.11 0.78 -1.08 0.00 0.00 178.15 179.18 1u3u h ASN 356 N 0.76 0.81 -0.03 2.19 2.35 -1.87 -0.75 115.58 119.04 1u3u h ASN 356 Ca 0.47 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 56.00 1u3u h ASN 356 Cb 0.69 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1u3u h ASN 356 CO -0.23 0.81 -0.15 -0.33 -1.65 0.00 0.00 177.43 175.88 1u3u h GLU 357 N 0.82 0.35 -0.55 0.81 5.08 -1.65 0.11 114.58 119.55 1u3u h GLU 357 Ca 0.18 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1u3u h GLU 357 Cb 0.34 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1u3u h GLU 357 CO 0.00 0.50 -0.00 0.78 -1.00 0.00 0.00 179.01 179.29 1u3u h GLY 358 N 0.87 1.02 1.72 -3.84 0.00 -0.56 -1.53 103.07 100.76 1u3u h GLY 358 Ca 0.06 -0.72 -0.15 0.00 0.00 0.00 0.00 47.33 46.52 1u3u h GLY 358 CO 0.03 0.67 -0.63 0.74 0.00 0.00 0.00 176.54 177.35 1u3u h PHE 359 N 0.87 0.37 -0.92 5.60 -1.00 -0.58 -2.61 116.94 118.67 1u3u h PHE 359 Ca 0.16 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1u3u h PHE 359 Cb 0.52 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 39.97 1u3u h PHE 359 CO 0.03 0.83 0.55 -0.44 -1.61 0.00 0.00 178.31 177.67 1u3u h ASP 360 N 0.21 1.11 -0.55 2.17 3.45 -0.59 -0.95 116.42 121.27 1u3u h ASP 360 Ca -0.01 -0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.33 1u3u h ASP 360 Cb 1.15 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.62 1u3u h ASP 360 CO 0.10 0.86 0.16 -0.07 -1.57 0.00 0.00 179.24 178.72 1u3u h LEU 361 N 1.27 0.81 -0.11 1.55 3.38 -1.14 -1.34 115.31 119.74 1u3u h LEU 361 Ca 0.33 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1u3u h LEU 361 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1u3u h LEU 361 CO -0.06 0.82 0.02 0.25 0.09 0.00 0.00 178.44 179.55 1u3u h LEU 362 N 0.77 -0.01 -1.36 1.67 5.85 -1.01 -2.62 115.31 118.60 1u3u h LEU 362 Ca 0.17 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1u3u h LEU 362 Cb 0.30 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1u3u h LEU 362 CO -0.00 0.02 0.09 0.45 -0.34 0.00 0.00 178.44 178.65 1u3u h HIS 363 N 0.06 0.53 0.00 1.25 3.86 -1.02 -2.63 115.15 117.20 1u3u h HIS 363 Ca 0.05 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1u3u h HIS 363 Cb 0.05 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1u3u h HIS 363 CO -0.12 0.46 0.00 0.66 0.86 0.00 0.00 177.93 179.79 1u3u h SER 364 N 0.51 0.00 0.00 2.45 4.64 -0.91 -3.47 113.55 116.77 1u3u h SER 364 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1u3u h SER 364 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 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 0.53 0.82 0.21 -0.77 0.00 -0.99 -4.92 105.19 100.06 1u3u n GLY 365 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 3.23 0.00 -6.27 1.61 1.57 -1.82 -3.46 116.57 111.42 1u3u h LYS 366 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1u3u h LYS 366 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 1u3u h LYS 366 CO 0.00 0.06 -0.62 -1.54 -0.57 0.00 0.00 179.45 176.78 1u3u s SER 367 N -6.20 5.02 0.00 0.86 1.04 -1.23 -5.02 113.70 108.17 1u3u s SER 367 Ca 0.06 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1u3u s SER 367 Cb 0.06 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 65.03 1u3u s SER 367 CO 0.68 0.06 0.00 -0.38 0.98 0.00 0.00 173.24 174.59 1u3u n ILE 368 N -0.36 0.00 -4.40 -1.02 5.41 -1.26 -4.86 119.36 112.86 1u3u n ILE 368 Ca -0.09 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.33 1u3u n ILE 368 Cb 0.56 -0.56 -0.12 0.00 -0.71 0.00 0.00 39.64 38.81 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 3.66 -0.20 0.38 1.81 -0.01 -4.54 118.95 120.06 1u3u s ARG 369 Ca 0.00 -0.52 -0.09 0.00 -1.72 0.00 0.00 55.73 53.40 1u3u s ARG 369 Cb 0.00 -2.91 -0.04 0.00 -0.45 0.00 0.00 34.95 31.55 1u3u s ARG 369 CO 0.00 0.24 0.10 0.99 -0.68 0.00 0.00 175.30 175.94 1u3u s THR 370 N 0.38 5.06 -0.16 0.02 2.01 -1.26 -1.72 115.64 119.97 1u3u s THR 370 Ca -0.04 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 1u3u s THR 370 Cb -0.14 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1u3u s THR 370 CO 0.03 0.43 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.69 1u3u s VAL 371 N 0.50 4.14 -0.15 3.82 1.01 -0.42 -1.71 120.40 127.58 1u3u s VAL 371 Ca 0.05 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 1u3u s VAL 371 Cb -0.12 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1u3u s VAL 371 CO 0.00 0.49 0.14 -0.76 0.00 0.00 0.00 175.10 174.97 1u3u s LEU 372 N 0.30 4.31 -0.09 3.92 1.43 0.81 -1.67 118.68 127.70 1u3u s LEU 372 Ca -0.02 0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1u3u s LEU 372 Cb -0.14 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1u3u s LEU 372 CO 0.02 0.31 -0.01 0.42 0.23 0.00 0.00 176.35 177.33 1u3u s THR 373 N -0.44 4.24 -2.79 5.49 -4.23 0.17 -1.52 115.64 116.57 1u3u s THR 373 Ca 0.12 -0.27 0.26 0.00 -1.18 0.00 0.00 61.69 60.61 1u3u s THR 373 Cb -0.12 -2.78 0.34 0.00 1.34 0.00 0.00 72.50 71.28 1u3u s THR 373 CO 0.01 0.60 1.46 0.49 -0.54 0.00 0.00 174.62 176.65