#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1up4 s ILE 3 N 0.00 2.80 -0.13 5.15 1.01 -0.59 -0.82 121.20 128.62 1up4 s ILE 3 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.84 1up4 s ILE 3 Cb 0.00 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1up4 s ILE 3 CO 0.00 0.51 0.15 0.00 0.00 0.00 0.00 174.94 175.61 1up4 s ALA 4 N 0.74 3.82 -0.25 9.38 0.00 0.14 -1.02 121.76 134.58 1up4 s ALA 4 Ca -0.06 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 1up4 s ALA 4 Cb -0.15 -2.04 0.04 0.00 0.00 0.00 0.00 23.12 20.96 1up4 s ALA 4 CO 0.01 0.50 -0.08 0.08 0.00 0.00 0.00 175.76 176.28 1up4 s VAL 5 N -0.70 2.65 -0.30 0.00 1.01 0.28 -0.52 120.40 122.82 1up4 s VAL 5 Ca 0.14 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 60.79 1up4 s VAL 5 Cb -0.12 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1up4 s VAL 5 CO 0.03 0.13 0.20 -0.63 0.00 0.00 0.00 175.10 174.83 1up4 s ILE 6 N 1.26 5.26 0.00 2.22 -1.09 0.13 -1.64 121.20 127.34 1up4 s ILE 6 Ca -0.02 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 1up4 s ILE 6 Cb -0.18 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1up4 s ILE 6 CO -0.05 0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 1up4 n GLY 7 N 5.07 0.87 0.42 6.18 0.00 0.25 -1.27 105.19 116.72 1up4 n GLY 7 Ca -0.14 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.12 1up4 n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1up4 h GLY 8 N 0.00 0.76 0.20 -0.02 0.00 -1.27 -0.89 103.07 101.87 1up4 h GLY 8 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1up4 h GLY 8 CO 0.00 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.11 1up4 n GLY 9 N -1.56 -0.73 3.77 4.60 0.00 -1.26 -4.68 105.19 105.33 1up4 n GLY 9 Ca 0.22 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1up4 n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1up4 s SER 10 N -1.42 6.50 0.00 1.61 0.15 -0.34 -4.81 113.70 115.39 1up4 s SER 10 Ca 0.07 2.64 0.04 0.00 0.70 0.00 0.00 55.95 59.40 1up4 s SER 10 Cb 0.03 -2.64 0.18 0.00 -1.71 0.00 0.00 66.02 61.89 1up4 s SER 10 CO 0.05 -0.71 1.02 -1.54 1.20 0.00 0.00 173.24 173.26 1up4 n SER 11 N 0.38 0.00 0.07 5.45 3.41 -1.26 -1.37 113.62 120.29 1up4 n SER 11 Ca 0.02 0.34 0.11 0.00 -0.26 0.00 0.00 58.87 59.09 1up4 n SER 11 Cb 0.43 -0.37 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1up4 n SER 11 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1up4 n TYR 12 N -1.37 0.67 -0.27 7.33 4.01 -1.26 -4.48 117.16 121.79 1up4 n TYR 12 Ca 0.01 0.20 0.07 0.00 -0.16 0.00 0.00 57.90 58.02 1up4 n TYR 12 Cb 0.04 -0.76 0.19 0.00 -0.31 0.00 0.00 39.34 38.50 1up4 n TYR 12 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1up4 h THR 13 N 0.00 0.33 -0.66 -0.72 2.02 -1.50 -0.66 112.91 111.72 1up4 h THR 13 Ca 0.00 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.23 1up4 h THR 13 Cb 0.90 0.19 -0.11 0.00 -1.74 0.00 0.00 68.15 67.39 1up4 h THR 13 CO 0.00 0.02 -0.46 1.55 0.37 0.00 0.00 175.52 177.00 1up4 h PRO 14 N 0.13 -0.19 -0.36 6.66 0.13 -1.82 0.29 132.00 136.85 1up4 h PRO 14 Ca 0.45 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.52 1up4 h PRO 14 Cb 0.82 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1up4 h PRO 14 CO -0.66 -0.12 -0.09 0.93 -0.23 0.00 0.00 178.00 177.82 1up4 h GLU 15 N -0.19 0.62 -0.40 0.86 5.08 -1.45 0.56 114.58 119.65 1up4 h GLU 15 Ca 0.18 -0.18 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1up4 h GLU 15 Cb 0.55 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.65 1up4 h GLU 15 CO -0.74 0.70 -0.21 1.25 -1.00 0.00 0.00 179.01 179.01 1up4 h LEU 16 N 0.57 -0.70 -0.69 1.33 5.85 -0.74 -0.78 115.31 120.15 1up4 h LEU 16 Ca 0.11 0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 1up4 h LEU 16 Cb 0.50 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1up4 h LEU 16 CO 0.03 -0.24 0.07 0.58 -0.34 0.00 0.00 178.44 178.55 1up4 h VAL 17 N -0.14 1.26 -0.23 1.05 2.07 0.35 -0.58 116.25 120.04 1up4 h VAL 17 Ca 0.19 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.70 1up4 h VAL 17 Cb 0.44 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1up4 h VAL 17 CO -0.48 0.40 -0.24 0.50 0.02 0.00 0.00 177.57 177.77 1up4 h LYS 18 N 1.01 -0.24 -0.45 1.57 3.64 -0.39 0.29 116.57 122.00 1up4 h LYS 18 Ca 0.19 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.68 1up4 h LYS 18 Cb 0.48 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.26 1up4 h LYS 18 CO 0.02 -0.16 -0.16 0.78 -2.27 0.00 0.00 179.45 177.66 1up4 h GLY 19 N -0.25 0.22 1.67 5.01 0.00 -0.09 0.14 103.07 109.77 1up4 h GLY 19 Ca 0.13 0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.62 1up4 h GLY 19 CO -0.38 -0.19 -0.07 1.41 0.00 0.00 0.00 176.54 177.31 1up4 h LEU 20 N -0.06 0.39 -0.31 3.11 3.38 -0.27 -1.64 115.31 119.91 1up4 h LEU 20 Ca 0.22 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1up4 h LEU 20 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1up4 h LEU 20 CO -0.49 0.51 0.08 -0.07 0.09 0.00 0.00 178.44 178.56 1up4 h LEU 21 N 0.39 0.46 -1.12 1.67 3.38 0.19 -1.56 115.31 118.72 1up4 h LEU 21 Ca 0.08 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1up4 h LEU 21 Cb 0.38 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1up4 h LEU 21 CO 0.02 0.57 0.60 0.44 0.09 0.00 0.00 178.44 180.15 1up4 h ASP 22 N 0.34 0.95 0.65 -0.43 3.32 0.06 -2.16 116.42 119.14 1up4 h ASP 22 Ca 0.10 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1up4 h ASP 22 Cb 0.28 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1up4 h ASP 22 CO 0.00 0.63 -0.36 2.30 -1.72 0.00 0.00 179.24 180.09 1up4 n ILE 23 N -4.47 0.00 1.03 0.35 -5.35 -0.78 -3.97 119.36 106.16 1up4 n ILE 23 Ca 0.13 -0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.69 1up4 n ILE 23 Cb 0.16 0.03 0.49 0.00 -1.74 0.00 0.00 39.64 38.58 1up4 n ILE 23 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1up4 n SER 24 N -1.50 0.00 -0.02 7.28 3.41 -0.60 -1.70 113.62 120.49 1up4 n SER 24 Ca 0.06 -0.48 -0.03 0.00 -0.26 0.00 0.00 58.87 58.16 1up4 n SER 24 Cb 0.34 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.14 1up4 n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1up4 n GLU 25 N -1.03 0.65 0.04 4.33 1.02 -1.25 -4.36 120.64 120.04 1up4 n GLU 25 Ca 0.12 0.12 0.11 0.00 -0.02 0.00 0.00 57.16 57.49 1up4 n GLU 25 Cb 0.06 -1.69 -0.09 0.00 -0.02 0.00 0.00 31.44 29.70 1up4 n GLU 25 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1up4 n ASP 26 N -2.80 0.40 -4.01 1.62 8.00 -0.74 -4.96 116.55 114.05 1up4 n ASP 26 Ca -0.17 0.15 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 1up4 n ASP 26 Cb 0.94 1.25 -0.11 0.00 -0.02 0.00 0.00 41.12 43.18 1up4 n ASP 26 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1up4 s VAL 27 N -3.42 0.28 -0.13 2.53 -7.23 -0.69 -5.01 120.40 106.74 1up4 s VAL 27 Ca -0.05 -0.97 -0.27 0.00 -1.81 0.00 0.00 61.98 58.88 1up4 s VAL 27 Cb 0.12 -0.40 -0.02 0.00 0.56 0.00 0.00 36.38 36.64 1up4 s VAL 27 CO 0.85 -0.45 0.90 -0.60 -0.31 0.00 0.00 175.10 175.50 1up4 s ARG 28 N -1.49 4.37 -0.15 4.82 3.52 -1.26 -4.24 118.95 124.52 1up4 s ARG 28 Ca -0.13 1.18 0.00 0.00 -0.13 0.00 0.00 55.73 56.65 1up4 s ARG 28 Cb -0.10 -3.54 0.03 0.00 -1.56 0.00 0.00 34.95 29.77 1up4 s ARG 28 CO -0.00 -0.27 -0.11 0.42 -0.81 0.00 0.00 175.30 174.52 1up4 s ILE 29 N 1.91 1.42 -0.12 4.11 1.01 -1.26 -4.94 121.20 123.34 1up4 s ILE 29 Ca 0.43 -0.61 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 1up4 s ILE 29 Cb -0.18 -1.40 -0.26 0.00 0.01 0.00 0.00 42.46 40.63 1up4 s ILE 29 CO 0.16 0.37 0.48 0.44 0.00 0.00 0.00 174.94 176.39 1up4 h ASP 30 N 8.07 0.35 -4.15 3.58 5.19 -1.95 -3.43 116.42 124.09 1up4 h ASP 30 Ca -0.34 -0.84 -0.08 0.00 -0.62 0.00 0.00 57.03 55.16 1up4 h ASP 30 Cb 1.13 -0.12 -0.22 0.00 0.18 0.00 0.00 39.33 40.30 1up4 h ASP 30 CO 0.48 1.66 -0.02 -1.83 -3.12 0.00 0.00 179.24 176.42 1up4 s GLU 31 N -2.49 0.73 -0.18 3.56 -1.05 -1.26 -1.39 118.70 116.62 1up4 s GLU 31 Ca -0.21 0.68 -0.01 0.00 -0.15 0.00 0.00 54.97 55.27 1up4 s GLU 31 Cb 0.05 0.35 -0.01 0.00 -0.44 0.00 0.00 34.13 34.09 1up4 s GLU 31 CO 0.75 -0.12 -0.11 0.08 0.95 0.00 0.00 175.26 176.81 1up4 s VAL 32 N 0.02 2.99 -0.08 1.83 1.01 0.52 -1.54 120.40 125.16 1up4 s VAL 32 Ca -0.02 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1up4 s VAL 32 Cb -0.04 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1up4 s VAL 32 CO 0.02 0.48 -0.18 -0.51 0.00 0.00 0.00 175.10 174.92 1up4 s ILE 33 N 1.01 2.67 0.06 2.22 2.07 -0.19 -1.12 121.20 127.93 1up4 s ILE 33 Ca -0.01 -0.84 0.05 0.00 -1.41 0.00 0.00 60.65 58.44 1up4 s ILE 33 Cb -0.15 -2.05 -0.04 0.00 0.13 0.00 0.00 42.46 40.36 1up4 s ILE 33 CO -0.02 0.56 -0.05 -0.36 -1.91 0.00 0.00 174.94 173.16 1up4 s PHE 34 N -0.20 2.88 -0.05 3.50 0.08 0.11 -0.55 117.98 123.75 1up4 s PHE 34 Ca -0.01 -0.07 -0.04 0.00 0.12 0.00 0.00 56.93 56.93 1up4 s PHE 34 Cb -0.13 -1.53 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 1up4 s PHE 34 CO 0.03 0.43 0.13 -0.47 -0.10 0.00 0.00 175.22 175.24 1up4 s TYR 35 N -1.17 -0.15 -0.04 0.36 5.04 -0.65 -1.28 117.35 119.46 1up4 s TYR 35 Ca 0.21 0.38 -0.16 0.00 -2.44 0.00 0.00 57.07 55.07 1up4 s TYR 35 Cb -0.11 0.01 0.03 0.00 0.35 0.00 0.00 41.96 42.24 1up4 s TYR 35 CO 0.13 -0.09 0.35 0.34 -1.34 0.00 0.00 175.55 174.93 1up4 s ASP 36 N 0.35 -0.26 0.00 4.32 -1.08 -1.26 0.85 116.67 119.59 1up4 s ASP 36 Ca -0.02 0.26 0.24 0.00 -0.52 0.00 0.00 52.55 52.50 1up4 s ASP 36 Cb -0.04 0.41 1.09 0.00 -1.46 0.00 0.00 42.92 42.93 1up4 s ASP 36 CO -0.01 -0.40 1.78 2.30 0.52 0.00 0.00 175.17 179.36 1up4 n ILE 37 N 1.56 0.31 -3.65 4.11 -5.35 -1.26 -4.20 119.36 110.89 1up4 n ILE 37 Ca -0.20 0.08 -0.36 0.00 -0.27 0.00 0.00 62.75 62.00 1up4 n ILE 37 Cb 0.56 -0.67 -0.07 0.00 -1.74 0.00 0.00 39.64 37.72 1up4 n ILE 37 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1up4 s ASP 38 N -2.86 5.88 0.33 7.28 -1.08 -1.26 -4.95 116.67 120.01 1up4 s ASP 38 Ca 0.15 -3.55 0.04 0.00 -0.52 0.00 0.00 52.55 48.67 1up4 s ASP 38 Cb 0.16 -1.90 0.65 0.00 -1.46 0.00 0.00 42.92 40.37 1up4 s ASP 38 CO 0.41 -0.22 1.92 1.05 0.52 0.00 0.00 175.17 178.85 1up4 h GLU 39 N 6.22 0.85 -0.30 4.34 4.11 -2.01 -2.32 114.58 125.48 1up4 h GLU 39 Ca 0.13 -0.05 -0.13 0.00 0.07 0.00 0.00 59.36 59.37 1up4 h GLU 39 Cb 0.84 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1up4 h GLU 39 CO 0.83 0.56 -0.34 0.93 0.07 0.00 0.00 179.01 181.06 1up4 h GLU 40 N 0.87 0.75 -0.37 1.06 3.07 -1.95 -1.47 114.58 116.54 1up4 h GLU 40 Ca 0.37 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1up4 h GLU 40 Cb 0.30 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1up4 h GLU 40 CO -0.14 1.04 0.24 -0.22 -1.40 0.00 0.00 179.01 178.53 1up4 h LYS 41 N 0.51 0.50 -0.60 2.33 3.64 -1.88 -3.12 116.57 117.94 1up4 h LYS 41 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1up4 h LYS 41 Cb 0.93 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1up4 h LYS 41 CO 0.08 0.35 0.39 0.37 -2.27 0.00 0.00 179.45 178.37 1up4 h GLN 42 N 0.50 0.80 -0.76 1.90 4.15 -1.27 -2.85 115.11 117.56 1up4 h GLN 42 Ca 0.13 -0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.62 1up4 h GLN 42 Cb -0.03 -0.18 -0.08 0.00 0.21 0.00 0.00 27.48 27.40 1up4 h GLN 42 CO -0.03 0.54 0.36 -0.22 -1.93 0.00 0.00 178.83 177.55 1up4 h LYS 43 N 0.81 0.55 -0.26 1.69 1.63 -1.21 0.34 116.57 120.13 1up4 h LYS 43 Ca 0.22 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.95 1up4 h LYS 43 Cb -0.08 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 1up4 h LYS 43 CO -0.05 0.36 0.03 0.82 -3.45 0.00 0.00 179.45 177.17 1up4 h ILE 44 N 0.56 1.24 -0.11 2.00 5.03 -1.51 -1.12 117.51 123.60 1up4 h ILE 44 Ca 0.40 -0.81 -0.02 0.00 -0.12 0.00 0.00 64.86 64.31 1up4 h ILE 44 Cb 0.52 1.27 -0.00 0.00 -3.03 0.00 0.00 36.82 35.58 1up4 h ILE 44 CO -0.33 0.26 -0.01 0.58 -0.68 0.00 0.00 178.15 177.96 1up4 h VAL 45 N 0.23 1.27 -0.13 1.67 2.07 -1.28 -2.71 116.25 117.37 1up4 h VAL 45 Ca 0.08 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 1up4 h VAL 45 Cb 0.35 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1up4 h VAL 45 CO 0.01 0.26 -0.25 0.58 0.02 0.00 0.00 177.57 178.18 1up4 h VAL 46 N -0.09 1.24 -0.75 2.57 2.07 -0.36 -0.14 116.25 120.79 1up4 h VAL 46 Ca 0.03 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 1up4 h VAL 46 Cb 0.40 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1up4 h VAL 46 CO 0.01 0.34 0.34 0.44 0.02 0.00 0.00 177.57 178.72 1up4 h ASP 47 N 0.22 0.98 -0.13 0.57 5.19 -1.16 -1.18 116.42 120.90 1up4 h ASP 47 Ca 0.03 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 1up4 h ASP 47 Cb 0.56 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1up4 h ASP 47 CO 0.04 0.84 0.03 0.15 -3.12 0.00 0.00 179.24 177.18 1up4 h PHE 48 N 1.07 0.23 -0.48 4.55 3.57 -0.99 -3.11 116.94 121.78 1up4 h PHE 48 Ca 0.26 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.82 1up4 h PHE 48 Cb 0.13 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.72 1up4 h PHE 48 CO 0.01 0.38 -0.03 0.28 -2.23 0.00 0.00 178.31 176.73 1up4 h VAL 49 N 0.01 0.60 -0.47 1.41 2.07 -0.78 -1.89 116.25 117.21 1up4 h VAL 49 Ca 0.04 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1up4 h VAL 49 Cb 0.27 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1up4 h VAL 49 CO 0.00 0.02 0.31 0.11 0.02 0.00 0.00 177.57 178.03 1up4 h LYS 50 N 0.09 0.41 -0.08 1.57 1.57 -1.16 0.13 116.57 119.10 1up4 h LYS 50 Ca 0.24 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.87 1up4 h LYS 50 Cb 0.36 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1up4 h LYS 50 CO -0.42 0.27 -0.52 0.00 -0.57 0.00 0.00 179.45 178.21 1up4 h ARG 51 N 0.42 0.21 0.17 3.15 3.08 -1.29 -2.61 114.38 117.50 1up4 h ARG 51 Ca 0.20 -0.12 -0.27 0.00 0.07 0.00 0.00 59.98 59.86 1up4 h ARG 51 Cb 0.26 0.01 0.03 0.00 0.08 0.00 0.00 29.97 30.35 1up4 h ARG 51 CO -0.05 0.68 -1.17 -0.07 -1.07 0.00 0.00 179.97 178.28 1up4 h LEU 52 N 0.16 0.74 -0.45 3.04 3.38 -0.74 -3.36 115.31 118.09 1up4 h LEU 52 Ca 0.00 -0.89 -0.15 0.00 0.09 0.00 0.00 57.88 56.94 1up4 h LEU 52 Cb 0.97 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1up4 h LEU 52 CO 0.08 1.57 -0.34 0.58 0.09 0.00 0.00 178.44 180.41 1up4 h VAL 53 N 0.04 1.27 -6.19 1.22 2.07 -0.82 -3.48 116.25 110.37 1up4 h VAL 53 Ca -0.19 -1.51 -0.44 0.00 0.82 0.00 0.00 66.70 65.37 1up4 h VAL 53 Cb 1.89 1.33 0.02 0.00 -1.52 0.00 0.00 31.29 33.01 1up4 h VAL 53 CO 0.22 0.51 -0.83 0.29 0.02 0.00 0.00 177.57 177.78 1up4 n LYS 54 N -4.07 -4.71 -1.44 1.57 5.02 -0.99 -2.44 118.16 111.11 1up4 n LYS 54 Ca -0.02 0.58 -0.15 0.00 -2.02 0.00 0.00 58.31 56.70 1up4 n LYS 54 Cb 0.52 -5.11 -0.06 0.00 -0.02 0.00 0.00 35.03 30.36 1up4 n LYS 54 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1up4 n ASP 55 N -3.01 -5.10 0.13 4.39 5.68 -1.26 -4.87 116.55 112.50 1up4 n ASP 55 Ca -0.26 0.37 -0.02 0.00 -0.50 0.00 0.00 54.79 54.39 1up4 n ASP 55 Cb 0.66 -3.92 0.18 0.00 -1.14 0.00 0.00 41.12 36.89 1up4 n ASP 55 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1up4 h ARG 56 N 0.02 0.06 -4.36 0.11 3.08 -1.88 -3.44 114.38 107.97 1up4 h ARG 56 Ca -0.31 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.51 1up4 h ARG 56 Cb 1.08 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 31.00 1up4 h ARG 56 CO 0.45 0.63 -0.50 -0.59 -1.07 0.00 0.00 179.97 178.89 1up4 s PHE 57 N -3.72 0.96 0.03 3.04 -0.12 -1.26 -4.97 117.98 111.94 1up4 s PHE 57 Ca -0.02 -1.22 -0.30 0.00 -0.05 0.00 0.00 56.93 55.34 1up4 s PHE 57 Cb 0.13 -0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 1up4 s PHE 57 CO 0.77 -0.72 0.96 0.15 -0.05 0.00 0.00 175.22 176.32 1up4 s LYS 58 N -4.12 4.59 -0.28 1.99 1.02 -0.49 -4.93 119.74 117.53 1up4 s LYS 58 Ca 0.35 1.40 -0.08 0.00 0.02 0.00 0.00 55.97 57.65 1up4 s LYS 58 Cb 0.05 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 1up4 s LYS 58 CO 0.11 0.04 0.11 0.08 -0.92 0.00 0.00 175.35 174.77 1up4 s VAL 59 N 0.68 4.44 0.15 3.17 1.01 -1.26 -0.35 120.40 128.23 1up4 s VAL 59 Ca 0.49 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.27 1up4 s VAL 59 Cb -0.22 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1up4 s VAL 59 CO 0.28 0.21 -0.18 -0.76 0.00 0.00 0.00 175.10 174.65 1up4 s LEU 60 N 1.61 2.41 -0.07 3.92 1.43 -0.27 -5.00 118.68 122.71 1up4 s LEU 60 Ca 0.05 -0.82 0.05 0.00 -1.03 0.00 0.00 54.13 52.38 1up4 s LEU 60 Cb -0.16 -0.79 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 1up4 s LEU 60 CO 0.05 -0.03 -0.21 -0.63 0.23 0.00 0.00 176.35 175.75 1up4 s ILE 61 N -1.89 2.38 -0.09 -0.59 1.01 -1.26 0.09 121.20 120.85 1up4 s ILE 61 Ca 0.13 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.83 1up4 s ILE 61 Cb -0.06 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1up4 s ILE 61 CO 0.06 0.57 -0.07 -0.55 0.00 0.00 0.00 174.94 174.95 1up4 s SER 62 N -0.16 4.64 0.38 3.58 0.15 -0.41 -4.89 113.70 116.99 1up4 s SER 62 Ca -0.03 -0.07 0.19 0.00 0.70 0.00 0.00 55.95 56.75 1up4 s SER 62 Cb -0.14 -1.36 0.69 0.00 -1.71 0.00 0.00 66.02 63.51 1up4 s SER 62 CO 0.04 0.30 1.74 0.44 1.20 0.00 0.00 173.24 176.95 1up4 h ASP 63 N 5.71 0.00 -3.21 5.45 3.32 -1.96 -3.43 116.42 122.31 1up4 h ASP 63 Ca -0.43 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.12 1up4 h ASP 63 Cb 1.18 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.57 1up4 h ASP 63 CO 0.55 0.35 -0.76 0.42 -1.72 0.00 0.00 179.24 178.09 1up4 s THR 64 N -3.59 1.89 0.11 0.35 -4.23 -1.26 -5.01 115.64 103.91 1up4 s THR 64 Ca 0.00 -2.11 -0.19 0.00 -1.18 0.00 0.00 61.69 58.22 1up4 s THR 64 Cb 0.11 -1.99 -0.06 0.00 1.34 0.00 0.00 72.50 71.89 1up4 s THR 64 CO 0.68 -0.44 1.70 0.15 -0.54 0.00 0.00 174.62 176.18 1up4 h PHE 65 N 2.83 0.35 -0.43 3.99 3.57 -1.99 -2.97 116.94 122.29 1up4 h PHE 65 Ca -0.40 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.12 1up4 h PHE 65 Cb 1.22 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 1up4 h PHE 65 CO 0.71 0.31 0.20 1.49 -2.23 0.00 0.00 178.31 178.80 1up4 h GLU 66 N 0.28 0.40 -0.53 1.11 4.81 -1.97 -1.85 114.58 116.83 1up4 h GLU 66 Ca 0.09 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.42 1up4 h GLU 66 Cb 0.09 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1up4 h GLU 66 CO -0.01 0.26 0.37 0.78 -0.73 0.00 0.00 179.01 179.68 1up4 h GLY 67 N 0.41 0.20 0.49 1.92 0.00 -1.96 -0.41 103.07 103.73 1up4 h GLY 67 Ca 0.19 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 1up4 h GLY 67 CO -0.15 0.03 -0.27 0.00 0.00 0.00 0.00 176.54 176.15 1up4 h ALA 68 N 1.74 0.05 0.00 3.60 0.00 -1.19 -3.38 119.26 120.08 1up4 h ALA 68 Ca 0.25 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1up4 h ALA 68 Cb 0.82 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1up4 h ALA 68 CO -0.03 0.10 -0.74 -0.39 0.00 0.00 0.00 179.25 178.19 1up4 h VAL 69 N -0.44 0.00 -0.76 0.00 -1.51 -1.08 -3.41 116.25 109.05 1up4 h VAL 69 Ca -0.03 -0.54 0.17 0.00 -1.23 0.00 0.00 66.70 65.07 1up4 h VAL 69 Cb 1.00 1.06 -0.12 0.00 -2.13 0.00 0.00 31.29 31.10 1up4 h VAL 69 CO 0.05 0.00 0.11 1.62 -1.23 0.00 0.00 177.57 178.12 1up4 h VAL 70 N 0.00 0.42 -0.27 7.19 3.04 -1.26 -1.95 116.25 123.42 1up4 h VAL 70 Ca 0.00 -0.06 -0.10 0.00 -1.01 0.00 0.00 66.70 65.52 1up4 h VAL 70 Cb 0.77 0.21 -0.06 0.00 -2.01 0.00 0.00 31.29 30.20 1up4 h VAL 70 CO 0.00 0.03 -0.08 0.47 -1.01 0.00 0.00 177.57 176.99 1up4 n ASP 71 N -5.25 2.79 -4.85 3.17 8.00 -1.26 -3.87 116.55 115.28 1up4 n ASP 71 Ca 0.15 -3.52 -0.35 0.00 0.71 0.00 0.00 54.79 51.77 1up4 n ASP 71 Cb 0.49 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 1up4 n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up4 s ALA 72 N -3.10 3.64 -0.07 2.24 0.00 -0.73 -4.41 121.76 119.32 1up4 s ALA 72 Ca 0.42 -0.21 0.09 0.00 0.00 0.00 0.00 51.96 52.26 1up4 s ALA 72 Cb 0.38 -2.43 -0.24 0.00 0.00 0.00 0.00 23.12 20.82 1up4 s ALA 72 CO 0.02 0.49 0.55 1.17 0.00 0.00 0.00 175.76 177.99 1up4 n LYS 73 N 0.96 0.66 -4.56 0.00 4.81 0.00 -4.38 118.16 115.65 1up4 n LYS 73 Ca -0.07 0.27 -0.21 0.00 -0.87 0.00 0.00 58.31 57.43 1up4 n LYS 73 Cb 0.52 -1.76 -0.15 0.00 0.02 0.00 0.00 35.03 33.66 1up4 n LYS 73 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1up4 s TYR 74 N -2.58 1.13 -0.12 5.64 2.02 -1.22 -1.80 117.35 120.41 1up4 s TYR 74 Ca -0.09 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1up4 s TYR 74 Cb 0.08 -0.73 0.02 0.00 -0.40 0.00 0.00 41.96 40.92 1up4 s TYR 74 CO 0.81 -0.03 -0.14 0.08 -1.57 0.00 0.00 175.55 174.71 1up4 s VAL 75 N -0.25 1.44 -0.28 0.71 1.01 0.01 -0.68 120.40 122.36 1up4 s VAL 75 Ca 0.04 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 1up4 s VAL 75 Cb -0.05 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1up4 s VAL 75 CO -0.00 0.43 0.15 -0.63 0.00 0.00 0.00 175.10 175.05 1up4 s ILE 76 N 1.28 4.92 -0.22 2.22 1.01 0.32 -0.40 121.20 130.33 1up4 s ILE 76 Ca -0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.39 1up4 s ILE 76 Cb -0.14 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 1up4 s ILE 76 CO -0.06 0.24 0.71 -0.36 0.00 0.00 0.00 174.94 175.46 1up4 s PHE 77 N 1.70 3.34 0.00 3.97 0.40 -0.16 0.22 117.98 127.45 1up4 s PHE 77 Ca 0.06 0.99 0.00 0.00 -0.60 0.00 0.00 56.93 57.39 1up4 s PHE 77 Cb -0.16 -2.90 0.00 0.00 0.51 0.00 0.00 43.02 40.47 1up4 s PHE 77 CO 0.08 -0.28 0.67 0.94 0.70 0.00 0.00 175.22 177.34 1up4 n GLN 78 N 5.49 0.00 -2.96 0.44 7.27 -0.39 -0.48 117.38 126.74 1up4 n GLN 78 Ca 0.01 -0.50 -0.23 0.00 0.07 0.00 0.00 57.00 56.36 1up4 n GLN 78 Cb 0.49 -0.28 0.01 0.00 2.41 0.00 0.00 30.24 32.87 1up4 n GLN 78 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 1up4 s PHE 79 N 0.00 3.19 -0.34 3.69 -0.71 -1.16 -4.76 117.98 117.89 1up4 s PHE 79 Ca 0.00 0.20 0.02 0.00 -1.04 0.00 0.00 56.93 56.11 1up4 s PHE 79 Cb 0.00 -2.35 0.10 0.00 -1.21 0.00 0.00 43.02 39.57 1up4 s PHE 79 CO 0.00 -0.40 0.08 0.50 -1.34 0.00 0.00 175.22 174.07 1up4 s ARG 80 N -4.56 1.19 0.08 1.99 3.52 -1.26 -4.53 118.95 115.37 1up4 s ARG 80 Ca 0.49 -1.60 -0.31 0.00 -0.13 0.00 0.00 55.73 54.19 1up4 s ARG 80 Cb -0.10 -2.70 -0.09 0.00 -1.56 0.00 0.00 34.95 30.49 1up4 s ARG 80 CO 0.38 -0.97 1.85 -2.14 -0.81 0.00 0.00 175.30 173.60 1up4 s PRO 81 N 1.12 4.15 0.00 5.12 0.02 -1.26 -0.79 135.00 143.35 1up4 s PRO 81 Ca 0.11 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.68 1up4 s PRO 81 Cb -0.19 -3.81 0.00 0.00 0.02 0.00 0.00 34.50 30.53 1up4 s PRO 81 CO -0.14 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.07 1up4 n GLY 82 N 4.31 1.44 7.00 0.52 0.00 -1.26 -4.85 105.19 112.35 1up4 n GLY 82 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1up4 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1up4 n GLY 83 N -2.00 0.33 0.11 -0.02 0.00 0.03 -1.77 105.19 101.87 1up4 n GLY 83 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 45.04 1up4 n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1up4 h LEU 84 N 0.00 0.07 -1.26 0.99 3.38 -1.93 -2.67 115.31 113.90 1up4 h LEU 84 Ca 0.00 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1up4 h LEU 84 Cb 0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1up4 h LEU 84 CO 0.00 0.84 0.54 0.50 0.09 0.00 0.00 178.44 180.41 1up4 h LYS 85 N 0.03 0.85 -0.27 1.13 3.64 -1.97 0.77 116.57 120.75 1up4 h LYS 85 Ca -0.02 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1up4 h LYS 85 Cb 1.41 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1up4 h LYS 85 CO 0.11 0.56 0.01 0.78 -2.27 0.00 0.00 179.45 178.64 1up4 h GLY 86 N 0.88 0.50 0.55 5.01 0.00 -1.02 -2.00 103.07 106.99 1up4 h GLY 86 Ca 0.36 -0.36 0.10 0.00 0.00 0.00 0.00 47.33 47.43 1up4 h GLY 86 CO -0.14 0.33 0.55 -0.09 0.00 0.00 0.00 176.54 177.20 1up4 h ARG 87 N 0.25 0.89 -0.46 4.80 2.43 -1.14 -1.11 114.38 120.04 1up4 h ARG 87 Ca 0.08 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1up4 h ARG 87 Cb 0.40 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1up4 h ARG 87 CO 0.01 0.59 0.25 1.49 -1.51 0.00 0.00 179.97 180.80 1up4 h GLU 88 N 0.92 0.64 -0.39 0.20 4.81 -0.64 -0.79 114.58 119.33 1up4 h GLU 88 Ca 0.43 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1up4 h GLU 88 Cb 0.36 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1up4 h GLU 88 CO -0.24 0.51 0.25 -0.91 -0.73 0.00 0.00 179.01 177.90 1up4 h ASN 89 N 0.60 0.46 -0.72 1.04 2.35 -1.02 0.12 115.58 118.41 1up4 h ASN 89 Ca 0.16 -0.03 0.11 0.00 -0.55 0.00 0.00 56.30 55.99 1up4 h ASN 89 Cb 0.06 -0.11 -0.08 0.00 0.05 0.00 0.00 38.32 38.23 1up4 h ASN 89 CO -0.03 0.35 0.32 0.44 -1.65 0.00 0.00 177.43 176.87 1up4 h ASP 90 N 0.53 0.38 0.47 5.81 3.32 -0.89 -0.26 116.42 125.78 1up4 h ASP 90 Ca 0.14 0.08 -0.28 0.00 0.02 0.00 0.00 57.03 56.99 1up4 h ASP 90 Cb -0.04 0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.55 1up4 h ASP 90 CO -0.03 0.19 -1.25 -0.33 -1.72 0.00 0.00 179.24 176.11 1up4 h GLU 91 N 0.53 0.38 0.17 3.56 5.08 -0.97 -3.36 114.58 119.96 1up4 h GLU 91 Ca 0.37 -0.59 -0.29 0.00 -1.00 0.00 0.00 59.36 57.86 1up4 h GLU 91 Cb 0.47 0.21 0.02 0.00 0.50 0.00 0.00 28.75 29.94 1up4 h GLU 91 CO -0.32 1.26 -1.37 0.78 -1.00 0.00 0.00 179.01 178.36 1up4 h GLY 92 N 1.14 0.42 0.83 -3.84 0.00 -0.43 -3.38 103.07 97.80 1up4 h GLY 92 Ca -0.16 -1.06 -0.00 0.00 0.00 0.00 0.00 47.33 46.11 1up4 h GLY 92 CO 0.22 0.93 -0.02 -2.22 0.00 0.00 0.00 176.54 175.45 1up4 h ILE 93 N -0.12 1.09 -0.09 2.60 2.04 -1.25 -2.93 117.51 118.84 1up4 h ILE 93 Ca -0.27 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.22 1up4 h ILE 93 Cb 1.91 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1up4 h ILE 93 CO 0.16 0.10 0.13 -0.65 0.00 0.00 0.00 178.15 177.89 1up4 h PRO 94 N -0.23 0.00 -0.98 2.37 0.11 -1.77 -2.86 132.00 128.64 1up4 h PRO 94 Ca -0.01 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.18 1up4 h PRO 94 Cb 0.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.25 1up4 h PRO 94 CO 0.01 0.00 0.63 -0.07 -0.21 0.00 0.00 178.00 178.36 1up4 h LEU 95 N 0.00 0.98 -1.33 2.35 4.07 -1.55 -1.52 115.31 118.30 1up4 h LEU 95 Ca 0.04 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1up4 h LEU 95 Cb 0.31 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1up4 h LEU 95 CO -0.00 0.61 0.00 0.07 -1.08 0.00 0.00 178.44 178.04 1up4 h LYS 96 N 1.10 0.00 -0.41 1.13 2.10 -1.67 -2.22 116.57 116.60 1up4 h LYS 96 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 1up4 h LYS 96 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1up4 h LYS 96 CO -0.18 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.93 1up4 n TYR 97 N -2.53 0.53 -1.86 0.07 4.01 -0.62 -4.92 117.16 111.84 1up4 n TYR 97 Ca 0.00 -0.28 -0.04 0.00 -0.16 0.00 0.00 57.90 57.42 1up4 n TYR 97 Cb 0.18 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 1up4 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1up4 n GLY 98 N 1.47 0.31 3.66 2.72 0.00 -0.83 -5.03 105.19 107.49 1up4 n GLY 98 Ca 0.19 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 1up4 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up4 s LEU 99 N -1.21 3.38 0.08 0.99 1.02 -0.90 -5.03 118.68 117.01 1up4 s LEU 99 Ca 0.00 -0.15 -0.31 0.00 0.02 0.00 0.00 54.13 53.69 1up4 s LEU 99 Cb 0.00 -2.05 -0.09 0.00 0.02 0.00 0.00 46.19 44.07 1up4 s LEU 99 CO 0.00 0.22 1.72 -0.63 0.02 0.00 0.00 176.35 177.68 1up4 s ILE 100 N -1.19 2.89 -0.38 -0.59 -1.09 -1.26 -3.52 121.20 116.06 1up4 s ILE 100 Ca 0.22 0.34 -0.10 0.00 -2.23 0.00 0.00 60.65 58.89 1up4 s ILE 100 Cb -0.11 -3.22 0.04 0.00 -1.58 0.00 0.00 42.46 37.59 1up4 s ILE 100 CO 0.14 -0.00 0.20 -0.83 -1.23 0.00 0.00 174.94 173.22 1up4 s GLY 101 N 2.58 1.92 -0.12 6.18 0.00 -1.26 -4.35 107.32 112.26 1up4 s GLY 101 Ca 0.76 -1.84 -0.09 0.00 0.00 0.00 0.00 44.72 43.55 1up4 s GLY 101 CO 0.34 0.86 0.31 1.62 0.00 0.00 0.00 173.10 176.23 1up4 s GLN 102 N 1.49 0.33 0.33 2.90 -0.44 -1.26 -4.69 119.66 118.32 1up4 s GLN 102 Ca 0.01 0.51 0.08 0.00 -2.50 0.00 0.00 55.36 53.46 1up4 s GLN 102 Cb -0.20 0.08 0.95 0.00 -1.64 0.00 0.00 33.01 32.20 1up4 s GLN 102 CO 0.05 -0.09 1.58 1.49 0.50 0.00 0.00 175.29 178.82 1up4 h GLU 103 N 6.22 0.02 0.00 1.67 4.81 -1.87 -3.14 114.58 122.29 1up4 h GLU 103 Ca -0.31 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1up4 h GLU 103 Cb 1.18 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1up4 h GLU 103 CO 0.32 0.02 0.00 0.25 -0.73 0.00 0.00 179.01 178.87 1up4 n THR 104 N -5.39 0.25 -4.81 0.32 -2.24 -1.26 -3.83 114.28 97.32 1up4 n THR 104 Ca 0.28 -0.46 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 1up4 n THR 104 Cb 0.93 1.08 -0.17 0.00 -2.10 0.00 0.00 70.33 70.07 1up4 n THR 104 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1up4 s THR 105 N -0.25 1.48 0.00 4.28 2.01 -1.19 -4.42 115.64 117.55 1up4 s THR 105 Ca 0.00 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1up4 s THR 105 Cb 0.00 -1.32 0.00 0.00 0.01 0.00 0.00 72.50 71.19 1up4 s THR 105 CO 0.00 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1up4 n GLY 106 N 3.72 -0.22 0.35 4.40 0.00 -1.26 -3.89 105.19 108.29 1up4 n GLY 106 Ca -0.21 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 44.90 1up4 n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1up4 h VAL 107 N 0.00 0.90 -0.70 1.61 2.07 -1.79 -0.65 116.25 117.68 1up4 h VAL 107 Ca 0.00 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.45 1up4 h VAL 107 Cb 0.00 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1up4 h VAL 107 CO 0.00 0.07 0.40 1.23 0.02 0.00 0.00 177.57 179.29 1up4 h GLY 108 N 0.40 1.04 2.00 2.17 0.00 -1.70 -1.72 103.07 105.26 1up4 h GLY 108 Ca 0.27 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1up4 h GLY 108 CO -0.07 0.16 -0.39 -1.33 0.00 0.00 0.00 176.54 174.91 1up4 h GLY 109 N 0.72 0.00 0.90 4.60 0.00 -1.17 -2.26 103.07 105.86 1up4 h GLY 109 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 1up4 h GLY 109 CO -0.19 0.00 -0.04 -2.75 0.00 0.00 0.00 176.54 173.56 1up4 h PHE 110 N 0.00 -0.09 -0.52 5.60 3.57 -0.96 -0.38 116.94 124.16 1up4 h PHE 110 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1up4 h PHE 110 Cb 0.87 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 1up4 h PHE 110 CO 0.00 0.03 -0.06 0.66 -2.23 0.00 0.00 178.31 176.71 1up4 h SER 111 N -0.20 0.92 -0.84 0.41 4.64 -1.40 -2.14 113.55 114.93 1up4 h SER 111 Ca -0.01 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1up4 h SER 111 Cb 0.17 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 1up4 h SER 111 CO 0.02 1.01 0.50 0.00 -0.87 0.00 0.00 176.83 177.49 1up4 h ALA 112 N 1.08 1.29 0.03 5.18 0.00 -1.33 -2.02 119.26 123.49 1up4 h ALA 112 Ca 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1up4 h ALA 112 Cb 0.59 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1up4 h ALA 112 CO 0.04 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.88 1up4 h ALA 113 N 1.38 -0.04 -0.29 0.00 0.00 -0.79 -2.00 119.26 117.53 1up4 h ALA 113 Ca 0.30 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1up4 h ALA 113 Cb -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1up4 h ALA 113 CO -0.06 -0.49 0.17 -0.07 0.00 0.00 0.00 179.25 178.79 1up4 h LEU 114 N -0.09 0.34 -0.85 0.00 3.38 -1.16 0.27 115.31 117.21 1up4 h LEU 114 Ca -0.00 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1up4 h LEU 114 Cb 0.08 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1up4 h LEU 114 CO 0.01 0.27 -0.57 0.03 0.09 0.00 0.00 178.44 178.27 1up4 h ARG 115 N 0.40 0.01 0.15 1.13 3.08 -1.14 -3.35 114.38 114.66 1up4 h ARG 115 Ca 0.10 -0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.91 1up4 h ARG 115 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 1up4 h ARG 115 CO -0.02 0.58 -1.09 0.00 -1.07 0.00 0.00 179.97 178.37 1up4 h ALA 116 N 1.42 -0.01 -0.62 0.04 0.00 -0.25 -3.40 119.26 116.45 1up4 h ALA 116 Ca -0.01 -0.85 0.13 0.00 0.00 0.00 0.00 54.91 54.18 1up4 h ALA 116 Cb 1.02 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 1up4 h ALA 116 CO 0.08 0.56 -0.12 0.74 0.00 0.00 0.00 179.25 180.51 1up4 h PHE 117 N -0.29 -0.26 -0.58 0.00 0.04 -1.30 -0.62 116.94 113.92 1up4 h PHE 117 Ca -0.21 0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 1up4 h PHE 117 Cb 1.74 0.21 -0.03 0.00 2.20 0.00 0.00 35.95 40.07 1up4 h PHE 117 CO 0.17 -0.25 0.35 -1.35 -0.60 0.00 0.00 178.31 176.63 1up4 h PRO 118 N 0.02 0.79 0.12 1.51 0.11 -1.78 -0.02 132.00 132.76 1up4 h PRO 118 Ca 0.30 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1up4 h PRO 118 Cb 0.47 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1up4 h PRO 118 CO -0.61 0.57 -0.06 0.82 -0.21 0.00 0.00 178.00 178.51 1up4 h ILE 119 N 0.79 0.94 -0.18 4.15 2.04 -1.48 -2.38 117.51 121.39 1up4 h ILE 119 Ca 0.21 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 1up4 h ILE 119 Cb -0.02 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1up4 h ILE 119 CO -0.04 0.05 -0.31 -0.37 0.00 0.00 0.00 178.15 177.49 1up4 h VAL 120 N -0.26 1.27 0.07 1.67 -1.51 -0.96 -0.24 116.25 116.29 1up4 h VAL 120 Ca -0.02 -1.32 0.02 0.00 -1.23 0.00 0.00 66.70 64.15 1up4 h VAL 120 Cb 0.21 1.48 -0.05 0.00 -2.13 0.00 0.00 31.29 30.80 1up4 h VAL 120 CO 0.03 0.41 -0.42 -0.08 -1.23 0.00 0.00 177.57 176.28 1up4 h GLU 121 N 0.31 -0.60 -0.33 5.19 4.81 -0.94 0.35 114.58 123.37 1up4 h GLU 121 Ca 0.04 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1up4 h GLU 121 Cb 0.70 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 1up4 h GLU 121 CO 0.05 -0.40 0.11 1.49 -0.73 0.00 0.00 179.01 179.53 1up4 h GLU 122 N -0.62 0.24 -0.15 1.92 4.81 -1.04 -1.24 114.58 118.49 1up4 h GLU 122 Ca 0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1up4 h GLU 122 Cb 0.67 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1up4 h GLU 122 CO -0.27 0.16 0.02 1.88 -0.73 0.00 0.00 179.01 180.06 1up4 h TYR 123 N 0.25 0.27 -0.60 0.92 0.05 -0.82 -2.17 116.97 114.87 1up4 h TYR 123 Ca 0.15 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.90 1up4 h TYR 123 Cb 0.13 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 1up4 h TYR 123 CO -0.14 0.44 0.40 0.28 -1.05 0.00 0.00 178.16 178.08 1up4 h VAL 124 N 0.02 1.15 -0.73 -2.88 2.07 -0.22 -1.51 116.25 114.15 1up4 h VAL 124 Ca 0.04 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1up4 h VAL 124 Cb 0.32 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1up4 h VAL 124 CO 0.00 0.15 0.45 -0.78 0.02 0.00 0.00 177.57 177.41 1up4 h ASP 125 N 0.81 0.87 -0.56 0.57 3.58 -1.09 -0.00 116.42 120.59 1up4 h ASP 125 Ca 0.22 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.53 1up4 h ASP 125 Cb -0.09 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.72 1up4 h ASP 125 CO -0.05 0.67 0.00 0.74 -2.88 0.00 0.00 179.24 177.72 1up4 h THR 126 N 0.99 1.26 -0.49 2.25 2.02 -1.14 -1.31 112.91 116.49 1up4 h THR 126 Ca 0.26 -1.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 1up4 h THR 126 Cb -0.05 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1up4 h THR 126 CO -0.05 0.40 0.16 0.58 0.37 0.00 0.00 175.52 176.98 1up4 h VAL 127 N 0.88 1.23 -0.82 3.16 2.07 -0.86 -2.51 116.25 119.39 1up4 h VAL 127 Ca 0.16 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1up4 h VAL 127 Cb 0.54 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1up4 h VAL 127 CO 0.03 0.28 0.54 -0.09 0.02 0.00 0.00 177.57 178.34 1up4 h ARG 128 N 0.66 0.95 -0.01 1.57 2.43 -0.87 -0.93 114.38 118.18 1up4 h ARG 128 Ca 0.16 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1up4 h ARG 128 Cb 0.27 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1up4 h ARG 128 CO -0.01 0.63 -0.05 1.63 -1.51 0.00 0.00 179.97 180.66 1up4 n LYS 129 N -4.46 1.21 0.00 0.20 5.02 -0.51 -4.54 118.16 115.08 1up4 n LYS 129 Ca 0.11 -0.54 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1up4 n LYS 129 Cb 0.14 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1up4 n LYS 129 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1up4 n THR 130 N -0.43 0.00 0.33 -0.18 -2.24 -0.89 -4.98 114.28 105.90 1up4 n THR 130 Ca 0.18 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 1up4 n THR 130 Cb 0.28 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.71 1up4 n THR 130 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1up4 h SER 131 N 0.00 0.00 -6.72 3.42 4.64 -1.55 -3.47 113.55 109.87 1up4 h SER 131 Ca 0.00 -0.02 -0.55 0.00 -0.47 0.00 0.00 61.79 60.75 1up4 h SER 131 Cb 0.00 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 61.91 1up4 h SER 131 CO 0.00 0.01 -0.84 0.59 -0.87 0.00 0.00 176.83 175.72 1up4 n ASN 132 N -2.74 -2.76 -4.80 4.97 3.02 -0.41 -4.93 115.26 107.61 1up4 n ASN 132 Ca 0.04 -1.02 -0.31 0.00 -0.03 0.00 0.00 54.58 53.26 1up4 n ASN 132 Cb 0.50 -2.78 0.06 0.00 -0.61 0.00 0.00 39.78 36.95 1up4 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1up4 s ALA 133 N -3.42 2.51 0.05 5.41 0.00 -1.26 -5.00 121.76 120.06 1up4 s ALA 133 Ca 0.61 0.22 -0.31 0.00 0.00 0.00 0.00 51.96 52.48 1up4 s ALA 133 Cb -0.33 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1up4 s ALA 133 CO 0.92 -1.39 1.20 0.99 0.00 0.00 0.00 175.76 177.48 1up4 s THR 134 N -2.89 4.06 -0.26 0.00 2.01 -0.75 -4.88 115.64 112.94 1up4 s THR 134 Ca 0.60 1.47 -0.12 0.00 0.31 0.00 0.00 61.69 63.96 1up4 s THR 134 Cb -0.16 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1up4 s THR 134 CO 0.53 0.10 0.22 -0.63 -0.69 0.00 0.00 174.62 174.15 1up4 s ILE 135 N 1.17 5.30 -0.26 1.82 1.01 -0.03 -0.81 121.20 129.40 1up4 s ILE 135 Ca 0.58 0.27 -0.10 0.00 0.00 0.00 0.00 60.65 61.41 1up4 s ILE 135 Cb -0.29 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1up4 s ILE 135 CO 0.29 0.28 0.15 -0.69 0.00 0.00 0.00 174.94 174.96 1up4 s VAL 136 N 1.49 4.97 -0.17 2.92 1.01 0.47 -0.47 120.40 130.61 1up4 s VAL 136 Ca 0.09 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1up4 s VAL 136 Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1up4 s VAL 136 CO 0.08 0.29 -0.05 0.21 0.00 0.00 0.00 175.10 175.63 1up4 s ASN 137 N 1.63 4.53 -0.08 3.32 2.47 -0.36 -0.98 114.94 125.47 1up4 s ASN 137 Ca 0.07 -0.24 0.11 0.00 0.42 0.00 0.00 52.86 53.21 1up4 s ASN 137 Cb -0.15 -1.75 -0.15 0.00 -1.45 0.00 0.00 41.25 37.75 1up4 s ASN 137 CO 0.08 0.11 0.11 0.49 -3.72 0.00 0.00 177.10 174.16 1up4 n PHE 138 N 3.94 0.00 -1.62 0.43 3.72 0.37 -0.63 117.46 123.67 1up4 n PHE 138 Ca -0.18 0.00 -0.55 0.00 -0.05 0.00 0.00 57.45 56.67 1up4 n PHE 138 Cb 0.52 -0.47 -0.07 0.00 -0.94 0.00 0.00 39.48 38.52 1up4 n PHE 138 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1up4 n THR 139 N -2.27 0.08 -3.26 4.37 -1.04 -1.15 -4.60 114.28 106.40 1up4 n THR 139 Ca -0.13 -0.01 -0.36 0.00 -2.04 0.00 0.00 64.05 61.51 1up4 n THR 139 Cb 0.70 -0.82 -0.06 0.00 -1.82 0.00 0.00 70.33 68.34 1up4 n THR 139 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1up4 s ASN 140 N 1.31 6.91 -0.30 8.00 0.01 -1.26 -2.69 114.94 126.92 1up4 s ASN 140 Ca 0.90 1.20 -0.25 0.00 -0.71 0.00 0.00 52.86 54.00 1up4 s ASN 140 Cb -1.04 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 38.28 1up4 s ASN 140 CO 0.54 0.07 0.84 -2.16 -1.51 0.00 0.00 177.10 174.89 1up4 s PRO 141 N -1.98 4.02 0.11 -0.60 0.04 -1.26 -4.72 135.00 130.61 1up4 s PRO 141 Ca 0.40 0.73 -0.24 0.00 0.04 0.00 0.00 61.00 61.93 1up4 s PRO 141 Cb -0.15 -3.71 -0.08 0.00 0.04 0.00 0.00 34.50 30.59 1up4 s PRO 141 CO 0.20 -0.69 1.67 1.03 0.04 0.00 0.00 177.00 179.25 1up4 h SER 142 N 8.03 -0.47 -0.41 6.66 0.87 -1.76 -0.27 113.55 126.20 1up4 h SER 142 Ca -0.23 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.35 1up4 h SER 142 Cb 1.09 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 1up4 h SER 142 CO 0.91 -0.23 0.09 1.23 -0.53 0.00 0.00 176.83 178.30 1up4 h GLY 143 N -0.28 0.72 1.01 5.77 0.00 -1.89 -0.38 103.07 108.01 1up4 h GLY 143 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1up4 h GLY 143 CO -0.14 0.43 0.52 0.84 0.00 0.00 0.00 176.54 178.19 1up4 h HIS 144 N 0.53 1.07 -0.58 5.60 6.17 -1.89 0.09 115.15 126.14 1up4 h HIS 144 Ca 0.13 0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.16 1up4 h HIS 144 Cb 0.33 -0.36 -0.02 0.00 2.52 0.00 0.00 27.41 29.88 1up4 h HIS 144 CO 0.02 0.70 0.12 0.82 0.71 0.00 0.00 177.93 180.30 1up4 h ILE 145 N 1.13 1.25 -0.64 6.26 2.04 -0.72 -1.76 117.51 125.07 1up4 h ILE 145 Ca 0.30 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.24 1up4 h ILE 145 Cb -0.08 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1up4 h ILE 145 CO -0.06 0.34 0.41 0.74 0.00 0.00 0.00 178.15 179.59 1up4 h THR 146 N 0.84 1.12 -0.66 -0.27 2.02 -0.36 0.58 112.91 116.18 1up4 h THR 146 Ca 0.18 -0.28 0.08 0.00 0.77 0.00 0.00 66.41 67.16 1up4 h THR 146 Cb 0.38 0.23 -0.07 0.00 -1.74 0.00 0.00 68.15 66.95 1up4 h THR 146 CO 0.01 0.15 0.32 -0.08 0.37 0.00 0.00 175.52 176.29 1up4 h GLU 147 N 0.82 0.55 0.32 6.66 4.57 -0.71 0.13 114.58 126.92 1up4 h GLU 147 Ca 0.25 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1up4 h GLU 147 Cb -0.04 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1up4 h GLU 147 CO -0.08 0.36 -0.15 0.35 -1.18 0.00 0.00 179.01 178.31 1up4 h PHE 148 N 0.56 -0.40 -0.48 0.92 3.57 -0.41 -1.87 116.94 118.84 1up4 h PHE 148 Ca 0.32 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 1up4 h PHE 148 Cb 0.31 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1up4 h PHE 148 CO -0.11 -0.14 0.02 0.28 -2.23 0.00 0.00 178.31 176.12 1up4 h VAL 149 N -0.60 1.26 -0.23 1.41 2.07 -0.64 -0.99 116.25 118.53 1up4 h VAL 149 Ca -0.04 -1.03 -0.20 0.00 0.82 0.00 0.00 66.70 66.24 1up4 h VAL 149 Cb 0.43 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1up4 h VAL 149 CO 0.07 0.36 -0.66 0.03 0.02 0.00 0.00 177.57 177.40 1up4 h ARG 150 N 0.69 0.84 0.00 1.57 2.47 -0.78 0.11 114.38 119.29 1up4 h ARG 150 Ca 0.14 -0.60 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 1up4 h ARG 150 Cb 0.48 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1up4 h ARG 150 CO 0.02 1.22 -0.74 0.09 0.56 0.00 0.00 179.97 181.13 1up4 n ASN 151 N -3.97 0.79 0.00 7.04 3.02 -0.70 -3.90 115.26 117.53 1up4 n ASN 151 Ca -0.06 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 1up4 n ASN 151 Cb 0.68 1.08 0.00 0.00 -0.61 0.00 0.00 39.78 40.93 1up4 n ASN 151 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1up4 n TYR 152 N -1.39 0.00 0.27 3.10 4.02 -0.43 -4.71 117.16 118.03 1up4 n TYR 152 Ca 0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.03 1up4 n TYR 152 Cb 0.22 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 39.73 1up4 n TYR 152 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1up4 h LEU 153 N 0.00 0.00 -1.49 7.72 3.38 -1.40 -3.48 115.31 120.04 1up4 h LEU 153 Ca 0.00 -0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 1up4 h LEU 153 Cb 0.98 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.84 1up4 h LEU 153 CO 0.00 0.00 -0.77 1.21 0.09 0.00 0.00 178.44 178.97 1up4 n GLU 154 N -2.95 -6.14 -3.54 1.13 2.13 0.31 -4.97 120.64 106.61 1up4 n GLU 154 Ca 0.04 0.74 -0.41 0.00 0.66 0.00 0.00 57.16 58.19 1up4 n GLU 154 Cb 0.52 -5.59 -0.11 0.00 0.27 0.00 0.00 31.44 26.53 1up4 n GLU 154 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1up4 s TYR 155 N -3.45 3.23 0.17 4.31 5.04 -0.76 -5.00 117.35 120.89 1up4 s TYR 155 Ca 0.18 -0.71 -0.07 0.00 -2.44 0.00 0.00 57.07 54.03 1up4 s TYR 155 Cb -0.08 -2.49 0.05 0.00 0.35 0.00 0.00 41.96 39.79 1up4 s TYR 155 CO 0.77 -0.58 1.50 1.49 -1.34 0.00 0.00 175.55 177.40 1up4 h GLU 156 N 8.51 0.75 -2.81 4.97 4.81 -1.90 -3.34 114.58 125.57 1up4 h GLU 156 Ca -0.27 -0.42 -0.69 0.00 -0.13 0.00 0.00 59.36 57.85 1up4 h GLU 156 Cb 1.12 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1up4 h GLU 156 CO 0.68 1.04 3.16 1.63 -0.73 0.00 0.00 179.01 184.79 1up4 n LYS 157 N -4.02 4.06 -3.81 1.92 5.02 -1.26 -4.80 118.16 115.27 1up4 n LYS 157 Ca -0.03 -2.73 -0.28 0.00 -2.02 0.00 0.00 58.31 53.26 1up4 n LYS 157 Cb 0.56 -2.71 -0.16 0.00 -0.02 0.00 0.00 35.03 32.70 1up4 n LYS 157 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1up4 s PHE 158 N 0.69 1.41 -0.25 2.13 2.19 -1.25 -0.85 117.98 122.04 1up4 s PHE 158 Ca 0.63 -1.06 -0.02 0.00 0.33 0.00 0.00 56.93 56.81 1up4 s PHE 158 Cb 0.19 -1.18 0.02 0.00 -1.31 0.00 0.00 43.02 40.74 1up4 s PHE 158 CO -0.08 -0.63 -0.05 0.42 1.83 0.00 0.00 175.22 176.71 1up4 s ILE 159 N 1.73 2.98 0.16 3.12 1.01 0.38 -4.92 121.20 125.66 1up4 s ILE 159 Ca -0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 1up4 s ILE 159 Cb -0.17 -2.50 -0.07 0.00 0.01 0.00 0.00 42.46 39.73 1up4 s ILE 159 CO -0.07 0.21 0.95 -0.83 0.00 0.00 0.00 174.94 175.20 1up4 s GLY 160 N 1.35 3.05 0.18 6.18 0.00 -1.07 -1.22 107.32 115.78 1up4 s GLY 160 Ca 0.01 0.59 0.09 0.00 0.00 0.00 0.00 44.72 45.41 1up4 s GLY 160 CO -0.04 1.36 -0.19 -2.27 0.00 0.00 0.00 173.10 171.96 1up4 s LEU 161 N -0.43 2.45 0.09 0.66 2.96 0.20 0.28 118.68 124.89 1up4 s LEU 161 Ca 0.45 -0.87 -0.12 0.00 -0.22 0.00 0.00 54.13 53.36 1up4 s LEU 161 Cb -0.24 -0.90 0.02 0.00 0.50 0.00 0.00 46.19 45.56 1up4 s LEU 161 CO 0.31 -0.01 0.29 0.00 -1.32 0.00 0.00 176.35 175.62 1up4 n ASN 163 N 0.00 0.88 -0.01 0.00 2.04 -1.26 -4.42 115.26 112.49 1up4 n ASN 163 Ca -0.16 -0.68 -0.17 0.00 -0.44 0.00 0.00 54.58 53.13 1up4 n ASN 163 Cb 0.62 0.36 -0.09 0.00 -2.53 0.00 0.00 39.78 38.14 1up4 n ASN 163 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 1up4 h VAL 164 N 0.58 1.37 -0.23 3.53 -1.51 -1.99 -2.49 116.25 115.50 1up4 h VAL 164 Ca 0.00 -1.94 0.06 0.00 -1.23 0.00 0.00 66.70 63.59 1up4 h VAL 164 Cb 0.53 2.30 -0.07 0.00 -2.13 0.00 0.00 31.29 31.91 1up4 h VAL 164 CO 0.00 0.58 -0.32 -0.65 -1.23 0.00 0.00 177.57 175.96 1up4 h PRO 165 N 0.12 -0.32 0.00 5.19 0.11 -1.95 -0.57 132.00 134.59 1up4 h PRO 165 Ca -0.05 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 1up4 h PRO 165 Cb 1.26 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 1up4 h PRO 165 CO 0.12 -0.22 -0.35 0.97 -0.21 0.00 0.00 178.00 178.32 1up4 h ILE 166 N -0.34 1.23 -0.26 4.15 -0.00 -1.81 -1.27 117.51 119.21 1up4 h ILE 166 Ca 0.12 -1.19 -0.15 0.00 -0.00 0.00 0.00 64.86 63.65 1up4 h ILE 166 Cb 0.54 1.65 -0.01 0.00 -0.00 0.00 0.00 36.82 38.99 1up4 h ILE 166 CO -0.42 0.34 -0.43 0.78 -0.00 0.00 0.00 178.15 178.42 1up4 h ASN 167 N 0.00 0.70 0.02 2.19 2.35 -0.95 -1.90 115.58 117.98 1up4 h ASN 167 Ca -0.00 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1up4 h ASN 167 Cb 0.62 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1up4 h ASN 167 CO 0.04 1.03 -0.01 0.15 -1.65 0.00 0.00 177.43 177.00 1up4 h PHE 168 N 0.53 -0.03 -0.30 1.19 3.57 -0.70 -2.55 116.94 118.65 1up4 h PHE 168 Ca 0.04 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1up4 h PHE 168 Cb 0.96 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 1up4 h PHE 168 CO 0.04 0.31 -0.12 0.82 -2.23 0.00 0.00 178.31 177.14 1up4 h ILE 169 N -0.38 0.61 -0.96 1.41 2.04 -1.24 -1.20 117.51 117.79 1up4 h ILE 169 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1up4 h ILE 169 Cb 0.36 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1up4 h ILE 169 CO 0.01 0.00 0.61 -0.09 0.00 0.00 0.00 178.15 178.68 1up4 h ARG 170 N -0.06 1.09 -0.03 2.37 2.43 -1.38 0.48 114.38 119.28 1up4 h ARG 170 Ca 0.15 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1up4 h ARG 170 Cb 0.29 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1up4 h ARG 170 CO -0.34 0.72 -0.06 1.49 -1.51 0.00 0.00 179.97 180.28 1up4 h GLU 171 N 1.13 -0.08 -0.42 0.20 4.81 -0.91 -1.91 114.58 117.39 1up4 h GLU 171 Ca 0.41 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1up4 h GLU 171 Cb 0.15 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1up4 h GLU 171 CO -0.17 -0.05 0.27 0.82 -0.73 0.00 0.00 179.01 179.14 1up4 h ILE 172 N -0.09 1.12 -0.47 2.32 1.08 -0.57 -3.03 117.51 117.87 1up4 h ILE 172 Ca 0.03 -0.25 0.08 0.00 -0.39 0.00 0.00 64.86 64.33 1up4 h ILE 172 Cb 0.13 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.35 1up4 h ILE 172 CO -0.08 0.12 0.10 0.00 -0.69 0.00 0.00 178.15 177.60 1up4 h ALA 173 N 1.13 0.53 0.00 1.87 0.00 -0.81 -2.05 119.26 119.94 1up4 h ALA 173 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1up4 h ALA 173 Cb -0.03 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1up4 h ALA 173 CO -0.03 -0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.31 1up4 n GLU 174 N -5.10 0.17 0.00 0.00 1.02 -0.73 -0.56 120.64 115.45 1up4 n GLU 174 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1up4 n GLU 174 Cb 0.22 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1up4 n GLU 174 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1up4 n PHE 176 N 0.88 0.00 -3.57 -0.32 3.72 -0.77 -4.81 117.46 112.59 1up4 n PHE 176 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1up4 n PHE 176 Cb 0.08 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.68 1up4 n PHE 176 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1up4 n SER 177 N 0.00 -2.62 -4.27 4.37 7.64 0.27 -5.00 113.62 114.00 1up4 n SER 177 Ca 0.00 -0.78 -0.15 0.00 1.01 0.00 0.00 58.87 58.95 1up4 n SER 177 Cb 0.00 -4.40 -0.10 0.00 -1.01 0.00 0.00 64.21 58.70 1up4 n SER 177 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1up4 s ALA 178 N -3.54 1.53 0.71 -0.43 0.00 -0.22 -5.14 121.76 114.67 1up4 s ALA 178 Ca 0.12 -1.64 -0.11 0.00 0.00 0.00 0.00 51.96 50.33 1up4 s ALA 178 Cb -0.03 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1up4 s ALA 178 CO 0.79 -0.27 1.10 1.03 0.00 0.00 0.00 175.76 178.41 1up4 s ARG 179 N -3.88 2.84 0.25 0.00 0.52 -1.26 -4.52 118.95 112.90 1up4 s ARG 179 Ca 0.25 0.45 -0.05 0.00 -0.52 0.00 0.00 55.73 55.85 1up4 s ARG 179 Cb 0.05 -2.02 0.30 0.00 0.52 0.00 0.00 34.95 33.80 1up4 s ARG 179 CO 0.05 -1.05 1.90 -0.07 0.02 0.00 0.00 175.30 176.15 1up4 h LEU 180 N -0.66 1.04 -0.59 2.53 3.38 -1.95 -1.78 115.31 117.27 1up4 h LEU 180 Ca -0.45 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1up4 h LEU 180 Cb 1.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1up4 h LEU 180 CO 0.64 0.72 0.00 1.05 0.09 0.00 0.00 178.44 180.94 1up4 h GLU 181 N 1.21 0.00 0.00 1.13 4.11 -1.98 -2.51 114.58 116.55 1up4 h GLU 181 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 1up4 h GLU 181 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1up4 h GLU 181 CO -0.12 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.71 1up4 n ASP 182 N -2.39 0.00 -4.44 3.06 8.00 -0.67 -4.69 116.55 115.42 1up4 n ASP 182 Ca 0.03 0.28 -0.35 0.00 0.71 0.00 0.00 54.79 55.46 1up4 n ASP 182 Cb 0.30 -0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 40.90 1up4 n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1up4 s VAL 183 N -2.76 3.99 -0.06 2.53 1.01 -0.95 -0.41 120.40 123.75 1up4 s VAL 183 Ca 0.09 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1up4 s VAL 183 Cb 0.08 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1up4 s VAL 183 CO 0.20 0.41 -0.13 0.12 0.00 0.00 0.00 175.10 175.70 1up4 s PHE 184 N 1.15 1.50 0.07 5.22 5.36 0.11 -5.00 117.98 126.39 1up4 s PHE 184 Ca 0.03 -0.52 0.09 0.00 -0.96 0.00 0.00 56.93 55.57 1up4 s PHE 184 Cb -0.14 -1.07 -0.03 0.00 -0.34 0.00 0.00 43.02 41.43 1up4 s PHE 184 CO 0.02 -0.25 -0.22 -0.51 -1.46 0.00 0.00 175.22 172.80 1up4 s LEU 185 N 0.50 2.43 -0.40 6.12 1.02 -1.26 -0.06 118.68 127.04 1up4 s LEU 185 Ca -0.12 -0.56 -0.19 0.00 0.02 0.00 0.00 54.13 53.28 1up4 s LEU 185 Cb -0.14 -1.40 0.01 0.00 0.02 0.00 0.00 46.19 44.68 1up4 s LEU 185 CO 0.03 0.23 0.57 -0.75 0.02 0.00 0.00 176.35 176.46 1up4 s LYS 186 N -1.60 3.41 -0.05 1.70 2.20 -0.43 -4.91 119.74 120.06 1up4 s LYS 186 Ca 0.14 -0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 55.42 1up4 s LYS 186 Cb -0.10 -3.89 0.04 0.00 -1.51 0.00 0.00 37.83 32.36 1up4 s LYS 186 CO 0.05 -0.84 0.10 -0.47 -0.36 0.00 0.00 175.35 173.83 1up4 s TYR 187 N 2.57 -0.08 0.11 4.03 6.14 -1.26 -0.99 117.35 127.87 1up4 s TYR 187 Ca 0.20 0.34 -0.25 0.00 0.64 0.00 0.00 57.07 58.01 1up4 s TYR 187 Cb -0.15 -0.15 0.08 0.00 0.42 0.00 0.00 41.96 42.15 1up4 s TYR 187 CO 0.16 -0.14 0.70 1.52 0.64 0.00 0.00 175.55 178.43 1up4 s TYR 188 N 1.17 -0.46 -5.00 4.97 1.13 -0.73 -4.31 117.35 114.12 1up4 s TYR 188 Ca -0.09 0.26 0.00 0.00 -1.41 0.00 0.00 57.07 55.83 1up4 s TYR 188 Cb -0.12 0.56 0.00 0.00 -1.10 0.00 0.00 41.96 41.30 1up4 s TYR 188 CO -0.05 -0.77 0.00 0.41 -2.51 0.00 0.00 175.55 172.63 1up4 n GLY 189 N -0.34 0.52 4.00 5.49 0.00 -1.21 -0.22 105.19 113.42 1up4 n GLY 189 Ca -0.14 -1.74 -0.18 0.00 0.00 0.00 0.00 46.02 43.96 1up4 n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up4 s LEU 190 N 0.00 3.65 0.16 0.99 1.02 -0.35 -0.03 118.68 124.12 1up4 s LEU 190 Ca 0.00 -0.31 -0.31 0.00 0.02 0.00 0.00 54.13 53.52 1up4 s LEU 190 Cb 0.00 -2.72 -0.10 0.00 0.02 0.00 0.00 46.19 43.39 1up4 s LEU 190 CO 0.00 -0.77 1.67 0.21 0.02 0.00 0.00 176.35 177.48 1up4 s ASN 191 N -4.33 6.50 -1.68 2.29 3.04 -1.26 -1.01 114.94 118.49 1up4 s ASN 191 Ca 0.54 2.69 0.00 0.00 0.04 0.00 0.00 52.86 56.13 1up4 s ASN 191 Cb -0.10 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 37.02 1up4 s ASN 191 CO 0.34 -0.91 0.00 1.41 -3.04 0.00 0.00 177.10 174.90 1up4 n HIS 192 N 4.49 -0.02 -2.71 0.43 8.25 -1.26 -4.84 115.22 119.56 1up4 n HIS 192 Ca 0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.53 1up4 n HIS 192 Cb 0.38 -2.78 0.08 0.00 1.12 0.00 0.00 29.99 28.78 1up4 n HIS 192 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1up4 n LEU 193 N -1.82 -0.49 -4.50 2.41 -0.00 -0.18 -4.51 117.00 107.91 1up4 n LEU 193 Ca -0.16 -3.65 -0.24 0.00 -0.00 0.00 0.00 56.01 51.95 1up4 n LEU 193 Cb 0.53 0.27 -0.10 0.00 -0.00 0.00 0.00 43.42 44.12 1up4 n LEU 193 CO 0.24 1.80 -0.46 -0.94 -0.00 0.00 0.00 177.39 178.03 1up4 s SER 194 N -2.02 3.78 0.02 1.96 1.04 -1.19 -1.21 113.70 116.08 1up4 s SER 194 Ca 0.25 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 55.79 1up4 s SER 194 Cb 0.41 -0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 1up4 s SER 194 CO -0.04 0.05 -0.06 -0.36 0.98 0.00 0.00 173.24 173.81 1up4 s PHE 195 N -2.29 0.53 -0.15 5.02 0.40 0.69 -1.72 117.98 120.47 1up4 s PHE 195 Ca 0.28 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1up4 s PHE 195 Cb -0.06 -0.33 -0.00 0.00 0.51 0.00 0.00 43.02 43.14 1up4 s PHE 195 CO 0.15 -0.05 -0.15 0.42 0.70 0.00 0.00 175.22 176.29 1up4 s ILE 196 N -0.73 2.69 -0.14 0.64 1.01 0.14 -1.78 121.20 123.02 1up4 s ILE 196 Ca -0.04 -0.77 0.09 0.00 0.00 0.00 0.00 60.65 59.93 1up4 s ILE 196 Cb -0.06 -2.13 -0.15 0.00 0.01 0.00 0.00 42.46 40.13 1up4 s ILE 196 CO 0.00 0.52 -0.00 1.21 0.00 0.00 0.00 174.94 176.66 1up4 n GLU 197 N 3.98 1.46 -3.88 2.79 2.13 -0.16 -0.74 120.64 126.23 1up4 n GLU 197 Ca -0.19 0.02 -0.11 0.00 0.66 0.00 0.00 57.16 57.54 1up4 n GLU 197 Cb 0.52 -1.34 -0.12 0.00 0.27 0.00 0.00 31.44 30.76 1up4 n GLU 197 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1up4 s LYS 198 N -2.33 0.17 -0.09 5.31 -0.14 -1.23 -4.95 119.74 116.49 1up4 s LYS 198 Ca -0.11 -0.11 0.02 0.00 -1.36 0.00 0.00 55.97 54.42 1up4 s LYS 198 Cb 0.04 0.07 0.01 0.00 -1.68 0.00 0.00 37.83 36.28 1up4 s LYS 198 CO 0.51 -0.03 -0.16 0.08 -0.76 0.00 0.00 175.35 174.99 1up4 s VAL 199 N -0.43 1.52 -0.07 3.17 1.01 -1.26 -1.32 120.40 123.01 1up4 s VAL 199 Ca -0.05 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1up4 s VAL 199 Cb -0.03 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1up4 s VAL 199 CO 0.00 0.44 -0.24 -0.36 0.00 0.00 0.00 175.10 174.94 1up4 s PHE 200 N 0.71 2.45 -0.11 5.22 0.08 0.92 -1.40 117.98 125.85 1up4 s PHE 200 Ca -0.12 -0.85 0.01 0.00 0.12 0.00 0.00 56.93 56.08 1up4 s PHE 200 Cb -0.16 -1.62 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 1up4 s PHE 200 CO 0.03 -0.30 -0.11 0.08 -0.10 0.00 0.00 175.22 174.82 1up4 s VAL 201 N 0.07 1.21 -1.27 -0.44 1.01 -0.29 -0.71 120.40 119.98 1up4 s VAL 201 Ca -0.10 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1up4 s VAL 201 Cb -0.15 -1.17 0.09 0.00 0.00 0.00 0.00 36.38 35.14 1up4 s VAL 201 CO 0.06 0.39 0.48 0.29 0.00 0.00 0.00 175.10 176.32 1up4 n LYS 202 N 4.58 -3.10 0.00 2.72 5.02 0.45 -1.17 118.16 126.67 1up4 n LYS 202 Ca -0.16 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1up4 n LYS 202 Cb 0.50 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 1up4 n LYS 202 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1up4 n GLY 203 N -1.13 3.31 3.74 0.72 0.00 -1.26 -5.03 105.19 105.54 1up4 n GLY 203 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1up4 n GLY 203 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1up4 s GLU 204 N -0.63 4.75 -0.40 1.61 2.12 -0.32 -5.01 118.70 120.83 1up4 s GLU 204 Ca 0.00 1.44 -0.29 0.00 0.36 0.00 0.00 54.97 56.48 1up4 s GLU 204 Cb 0.00 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 31.07 1up4 s GLU 204 CO 0.00 0.37 1.35 0.34 -0.54 0.00 0.00 175.26 176.78 1up4 s ASP 205 N -0.58 6.43 -0.10 -1.70 -1.08 -1.26 -1.14 116.67 117.25 1up4 s ASP 205 Ca 0.43 0.83 0.13 0.00 -0.52 0.00 0.00 52.55 53.43 1up4 s ASP 205 Cb -0.24 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 38.94 1up4 s ASP 205 CO 0.30 -1.35 1.17 1.33 0.52 0.00 0.00 175.17 177.14 1up4 n VAL 206 N 6.90 1.68 -0.15 1.11 0.24 -0.49 -4.78 118.33 122.84 1up4 n VAL 206 Ca 0.16 -1.79 -0.03 0.00 -2.04 0.00 0.00 64.34 60.63 1up4 n VAL 206 Cb 0.48 -0.01 0.04 0.00 -1.47 0.00 0.00 33.84 32.88 1up4 n VAL 206 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1up4 h THR 207 N 0.48 0.57 -0.87 3.34 2.02 -1.88 0.08 112.91 116.66 1up4 h THR 207 Ca 0.00 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1up4 h THR 207 Cb 0.94 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.81 1up4 h THR 207 CO 0.04 0.01 0.55 -0.33 0.37 0.00 0.00 175.52 176.15 1up4 h GLU 208 N 0.05 0.97 -0.27 6.66 4.39 -1.93 -1.24 114.58 123.22 1up4 h GLU 208 Ca 0.23 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.78 1up4 h GLU 208 Cb 0.35 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1up4 h GLU 208 CO -0.44 0.64 -0.25 0.87 -1.16 0.00 0.00 179.01 178.68 1up4 h LYS 209 N 1.00 0.51 -0.45 2.33 1.57 -1.52 -1.93 116.57 118.08 1up4 h LYS 209 Ca 0.38 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.83 1up4 h LYS 209 Cb 0.15 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1up4 h LYS 209 CO -0.17 0.72 -0.26 0.28 -0.57 0.00 0.00 179.45 179.46 1up4 h VAL 210 N 0.45 1.27 -0.47 0.50 2.07 -0.22 -2.22 116.25 117.63 1up4 h VAL 210 Ca 0.07 -1.42 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 1up4 h VAL 210 Cb 0.67 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1up4 h VAL 210 CO 0.05 0.49 0.01 -0.26 0.02 0.00 0.00 177.57 177.88 1up4 h PHE 211 N 0.82 0.89 -0.49 1.57 0.04 -1.05 -1.29 116.94 117.42 1up4 h PHE 211 Ca 0.10 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 1up4 h PHE 211 Cb 0.84 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 1up4 h PHE 211 CO 0.06 0.85 0.13 0.93 -0.60 0.00 0.00 178.31 179.67 1up4 h GLU 212 N 0.67 0.74 -0.00 1.51 5.08 -1.33 -2.80 114.58 118.45 1up4 h GLU 212 Ca 0.13 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 1up4 h GLU 212 Cb 0.48 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1up4 h GLU 212 CO 0.02 0.67 -0.83 -0.91 -1.00 0.00 0.00 179.01 176.95 1up4 h ASN 213 N 0.72 0.17 0.43 1.42 -0.26 -1.24 -3.18 115.58 113.63 1up4 h ASN 213 Ca 0.16 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1up4 h ASN 213 Cb 0.26 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1up4 h ASN 213 CO -0.00 0.92 -0.05 -0.07 -1.06 0.00 0.00 177.43 177.17 1up4 h LEU 214 N 0.07 0.00 -0.95 1.61 4.07 -0.96 -2.22 115.31 116.94 1up4 h LEU 214 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1up4 h LEU 214 Cb 1.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.19 1up4 h LEU 214 CO 0.12 0.05 -0.08 0.29 -1.08 0.00 0.00 178.44 177.73 1up4 n LYS 215 N -3.31 1.51 -0.01 1.13 5.02 -1.20 -3.82 118.16 117.49 1up4 n LYS 215 Ca -0.02 -0.95 0.10 0.00 -2.02 0.00 0.00 58.31 55.42 1up4 n LYS 215 Cb 0.20 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 33.57 1up4 n LYS 215 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1up4 n LEU 216 N 0.08 0.05 0.00 -0.35 4.77 -0.84 -5.06 117.00 115.65 1up4 n LEU 216 Ca 0.16 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1up4 n LEU 216 Cb 0.38 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1up4 n LEU 216 CO 0.19 0.01 0.00 1.17 -1.33 0.00 0.00 177.39 177.44 1up4 n LYS 217 N -2.31 0.00 0.00 3.23 4.81 -1.17 -5.15 118.16 117.57 1up4 n LYS 217 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1up4 n LYS 217 Cb 0.60 -0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.63 1up4 n LYS 217 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1up4 n ASP 225 N 0.00 0.00 -4.74 3.14 2.03 -1.26 -5.10 116.55 110.61 1up4 n ASP 225 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1up4 n ASP 225 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1up4 n ASP 225 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1up4 n PHE 226 N 1.14 2.71 -1.43 -0.67 3.72 -1.26 -5.00 117.46 116.68 1up4 n PHE 226 Ca 0.00 0.49 -0.30 0.00 -0.05 0.00 0.00 57.45 57.59 1up4 n PHE 226 Cb 0.00 -2.49 0.12 0.00 -0.94 0.00 0.00 39.48 36.17 1up4 n PHE 226 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1up4 s PRO 227 N -2.01 1.54 0.18 -1.08 0.04 -1.26 -4.95 135.00 127.46 1up4 s PRO 227 Ca 0.54 0.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 1up4 s PRO 227 Cb -0.51 -1.86 0.17 0.00 0.04 0.00 0.00 34.50 32.34 1up4 s PRO 227 CO 0.63 -1.99 1.69 1.15 0.04 0.00 0.00 177.00 178.52 1up4 h THR 228 N -1.36 0.65 -0.37 1.26 2.02 -1.97 -2.39 112.91 110.75 1up4 h THR 228 Ca -0.49 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 66.69 1up4 h THR 228 Cb 1.29 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1up4 h THR 228 CO 0.58 0.02 0.25 4.11 0.37 0.00 0.00 175.52 180.86 1up4 h TRP 229 N 0.13 0.29 -0.62 3.16 5.08 -1.99 -2.34 115.95 119.66 1up4 h TRP 229 Ca 0.24 0.01 0.04 0.00 1.08 0.00 0.00 58.89 60.25 1up4 h TRP 229 Cb 0.35 -0.10 -0.04 0.00 -3.00 0.00 0.00 29.16 26.37 1up4 h TRP 229 CO -0.29 0.16 0.37 0.35 -1.28 0.00 0.00 178.44 177.75 1up4 h PHE 230 N 0.30 0.68 -0.15 0.12 3.04 -1.79 0.72 116.94 119.85 1up4 h PHE 230 Ca 0.16 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.95 1up4 h PHE 230 Cb 0.26 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.55 1up4 h PHE 230 CO -0.00 0.37 -0.63 1.88 -2.02 0.00 0.00 178.31 177.91 1up4 h TYR 231 N 0.71 0.72 -0.72 0.41 0.05 -1.51 -0.21 116.97 116.42 1up4 h TYR 231 Ca 0.26 -0.28 0.01 0.00 0.05 0.00 0.00 58.73 58.76 1up4 h TYR 231 Cb 0.07 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.64 1up4 h TYR 231 CO -0.06 1.04 0.48 -0.44 -1.05 0.00 0.00 178.16 178.13 1up4 h ASP 232 N 0.41 0.82 0.00 3.88 3.32 -1.07 -2.16 116.42 121.62 1up4 h ASP 232 Ca -0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1up4 h ASP 232 Cb 1.20 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 1up4 h ASP 232 CO 0.12 0.59 -0.19 0.28 -1.72 0.00 0.00 179.24 178.32 1up4 h SER 233 N 0.96 0.00 0.41 6.45 0.02 -0.73 -3.39 113.55 117.27 1up4 h SER 233 Ca 0.27 -0.19 -0.19 0.00 -0.84 0.00 0.00 61.79 60.83 1up4 h SER 233 Cb -0.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1up4 h SER 233 CO -0.06 0.70 -0.81 0.58 -1.14 0.00 0.00 176.83 176.10 1up4 h VAL 234 N -1.00 1.43 -5.48 2.27 2.07 -1.16 -3.47 116.25 110.90 1up4 h VAL 234 Ca -0.02 -2.36 -0.42 0.00 0.82 0.00 0.00 66.70 64.72 1up4 h VAL 234 Cb 0.35 2.29 0.04 0.00 -1.52 0.00 0.00 31.29 32.45 1up4 h VAL 234 CO -0.01 0.70 -0.66 0.54 0.02 0.00 0.00 177.57 178.15 1up4 n ARG 235 N -3.76 -5.78 -4.11 1.57 1.74 -0.81 -5.00 116.66 100.51 1up4 n ARG 235 Ca -0.04 0.75 -0.14 0.00 -0.77 0.00 0.00 57.85 57.64 1up4 n ARG 235 Cb 0.76 -5.66 -0.13 0.00 -1.02 0.00 0.00 32.46 26.41 1up4 n ARG 235 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1up4 s LEU 236 N -7.00 2.13 -0.09 0.55 1.43 -1.26 -4.88 118.68 109.56 1up4 s LEU 236 Ca 0.50 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.03 1up4 s LEU 236 Cb -0.23 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.74 1up4 s LEU 236 CO 0.61 -0.07 0.74 -0.63 0.23 0.00 0.00 176.35 177.23 1up4 s ILE 237 N -0.75 5.00 -0.04 -0.59 1.01 0.09 -4.89 121.20 121.02 1up4 s ILE 237 Ca -0.04 1.51 0.06 0.00 0.00 0.00 0.00 60.65 62.17 1up4 s ILE 237 Cb -0.06 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 1up4 s ILE 237 CO 0.00 0.19 -0.21 -0.69 0.00 0.00 0.00 174.94 174.24 1up4 s VAL 238 N 1.14 2.49 0.29 2.92 1.01 -1.26 0.25 120.40 127.23 1up4 s VAL 238 Ca 0.38 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1up4 s VAL 238 Cb -0.18 -1.93 -0.13 0.00 0.00 0.00 0.00 36.38 34.15 1up4 s VAL 238 CO 0.17 0.58 1.32 -3.20 0.00 0.00 0.00 175.10 173.98 1up4 n ASN 239 N 2.55 2.64 0.31 3.32 2.85 -0.70 -4.89 115.26 121.34 1up4 n ASN 239 Ca -0.17 1.17 0.17 0.00 -0.11 0.00 0.00 54.58 55.65 1up4 n ASN 239 Cb 0.52 -1.44 0.99 0.00 1.24 0.00 0.00 39.78 41.08 1up4 n ASN 239 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1up4 h PRO 240 N 3.31 0.00 0.00 1.20 0.11 -1.94 -1.19 132.00 133.49 1up4 h PRO 240 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1up4 h PRO 240 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1up4 h PRO 240 CO 0.69 0.01 -0.03 1.88 -0.21 0.00 0.00 178.00 180.34 1up4 h TYR 241 N 0.00 0.00 0.00 0.65 -1.99 -1.90 -2.43 116.97 111.30 1up4 h TYR 241 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1up4 h TYR 241 Cb 0.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.76 1up4 h TYR 241 CO 0.00 0.03 0.00 1.28 -0.00 0.00 0.00 178.16 179.47 1up4 n LEU 242 N -3.19 0.21 -0.15 3.88 4.32 -0.45 -1.50 117.00 120.13 1up4 n LEU 242 Ca -0.01 0.58 0.09 0.00 -0.02 0.00 0.00 56.01 56.65 1up4 n LEU 242 Cb 0.24 -0.58 0.42 0.00 -1.62 0.00 0.00 43.42 41.87 1up4 n LEU 242 CO 0.26 -0.55 1.20 0.03 -1.22 0.00 0.00 177.39 177.12 1up4 h ARG 243 N 0.00 0.59 0.00 3.23 3.08 -1.63 0.98 114.38 120.63 1up4 h ARG 243 Ca 0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1up4 h ARG 243 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1up4 h ARG 243 CO 0.00 0.39 -0.20 1.88 -1.07 0.00 0.00 179.97 180.97 1up4 h TYR 244 N 0.60 0.00 0.05 3.04 0.05 -1.50 -3.17 116.97 116.04 1up4 h TYR 244 Ca 0.31 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.79 1up4 h TYR 244 Cb 0.41 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 1up4 h TYR 244 CO -0.00 0.20 -1.65 0.66 -1.05 0.00 0.00 178.16 176.32 1up4 n TYR 245 N -3.35 1.06 0.24 4.88 4.02 -0.55 -3.80 117.16 119.66 1up4 n TYR 245 Ca 0.00 0.34 -0.04 0.00 -0.01 0.00 0.00 57.90 58.20 1up4 n TYR 245 Cb 0.42 -1.12 0.10 0.00 -0.02 0.00 0.00 39.34 38.72 1up4 n TYR 245 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1up4 n LEU 246 N -4.01 3.65 0.00 7.72 4.32 0.23 -4.98 117.00 123.94 1up4 n LEU 246 Ca -0.33 -1.88 0.00 0.00 -0.02 0.00 0.00 56.01 53.78 1up4 n LEU 246 Cb 0.85 -0.60 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1up4 n LEU 246 CO 0.28 0.56 0.00 1.21 -1.22 0.00 0.00 177.39 178.22 1up4 n GLU 248 N 0.04 0.00 -0.09 3.23 2.13 -1.23 -5.04 120.64 119.68 1up4 n GLU 248 Ca 0.17 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.92 1up4 n GLU 248 Cb 0.78 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.50 1up4 n GLU 248 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1up4 h LYS 249 N 0.00 0.07 -0.16 5.31 1.57 -1.92 0.27 116.57 121.72 1up4 h LYS 249 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1up4 h LYS 249 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1up4 h LYS 249 CO 0.00 0.05 0.00 1.63 -0.57 0.00 0.00 179.45 180.56 1up4 n LYS 250 N -5.18 0.08 0.00 3.15 5.02 -1.26 -1.88 118.16 118.09 1up4 n LYS 250 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1up4 n LYS 250 Cb 0.17 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1up4 n LYS 250 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1up4 n PHE 252 N 0.48 0.00 -0.17 2.13 7.35 0.96 -2.10 117.46 126.11 1up4 n PHE 252 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1up4 n PHE 252 Cb 0.02 0.00 0.26 0.00 0.35 0.00 0.00 39.48 40.11 1up4 n PHE 252 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1up4 h LYS 253 N 0.00 0.90 0.09 -4.13 3.64 -1.61 -1.26 116.57 114.20 1up4 h LYS 253 Ca 0.00 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1up4 h LYS 253 Cb 0.00 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1up4 h LYS 253 CO 0.00 0.63 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.55 1up4 h LYS 254 N 0.92 -0.11 -0.89 1.90 3.64 -1.70 -3.10 116.57 117.24 1up4 h LYS 254 Ca 0.24 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1up4 h LYS 254 Cb -0.03 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1up4 h LYS 254 CO -0.04 0.41 0.57 0.82 -2.27 0.00 0.00 179.45 178.94 1up4 h ILE 255 N -0.73 1.14 0.00 2.00 2.04 -1.83 -2.99 117.51 117.14 1up4 h ILE 255 Ca -0.01 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1up4 h ILE 255 Cb 0.57 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1up4 h ILE 255 CO 0.02 0.20 0.00 -1.54 0.00 0.00 0.00 178.15 176.83 1up4 n SER 256 N -4.53 0.00 -0.39 1.72 3.41 -0.48 -3.49 113.62 109.85 1up4 n SER 256 Ca 0.11 0.47 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 1up4 n SER 256 Cb 0.09 -0.49 0.15 0.00 -0.26 0.00 0.00 64.21 63.71 1up4 n SER 256 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1up4 n THR 257 N -1.49 1.68 -4.16 6.66 -2.24 -1.13 -5.00 114.28 108.60 1up4 n THR 257 Ca 0.07 -1.68 -0.12 0.00 -2.27 0.00 0.00 64.05 60.05 1up4 n THR 257 Cb 0.33 0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.48 1up4 n THR 257 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1up4 s HIS 258 N -2.17 0.91 0.26 4.78 3.76 -1.22 -5.07 115.29 116.55 1up4 s HIS 258 Ca 0.27 -0.77 -0.29 0.00 -0.15 0.00 0.00 55.06 54.12 1up4 s HIS 258 Cb 0.21 -0.52 -0.15 0.00 1.11 0.00 0.00 32.58 33.24 1up4 s HIS 258 CO 0.06 -0.09 0.95 -1.91 -0.85 0.00 0.00 174.74 172.90 1up4 n GLU 259 N 0.36 1.11 -1.74 1.40 2.13 -1.26 -4.89 120.64 117.74 1up4 n GLU 259 Ca -0.15 0.39 -0.42 0.00 0.66 0.00 0.00 57.16 57.64 1up4 n GLU 259 Cb 0.59 -1.71 -0.00 0.00 0.27 0.00 0.00 31.44 30.58 1up4 n GLU 259 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1up4 n LEU 260 N 1.43 4.20 -0.18 4.31 4.77 -1.26 -4.91 117.00 125.37 1up4 n LEU 260 Ca 0.12 1.22 -0.03 0.00 -0.03 0.00 0.00 56.01 57.29 1up4 n LEU 260 Cb 0.30 -1.56 0.07 0.00 -2.33 0.00 0.00 43.42 39.91 1up4 n LEU 260 CO 0.59 -0.16 1.00 -0.09 -1.33 0.00 0.00 177.39 177.41 1up4 h ARG 261 N 2.74 0.44 -0.87 3.23 9.65 -1.94 -2.25 114.38 125.37 1up4 h ARG 261 Ca -0.49 -0.03 0.14 0.00 -1.10 0.00 0.00 59.98 58.51 1up4 h ARG 261 Cb 1.26 -0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 29.68 1up4 h ARG 261 CO 0.63 0.29 0.56 0.00 2.80 0.00 0.00 179.97 184.26 1up4 h ALA 262 N 1.33 1.88 -0.29 2.80 0.00 -1.90 0.18 119.26 123.26 1up4 h ALA 262 Ca 0.26 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1up4 h ALA 262 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1up4 h ALA 262 CO -0.22 -0.11 -0.16 0.00 0.00 0.00 0.00 179.25 178.75 1up4 h ARG 263 N 0.65 0.50 -0.03 0.00 3.08 -1.77 -2.74 114.38 114.08 1up4 h ARG 263 Ca 0.44 -0.16 -0.22 0.00 0.07 0.00 0.00 59.98 60.11 1up4 h ARG 263 Cb 0.74 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1up4 h ARG 263 CO -0.19 0.65 -0.88 1.05 -1.07 0.00 0.00 179.97 179.52 1up4 h GLU 264 N 0.46 0.43 -1.96 0.04 4.11 -0.65 -3.07 114.58 113.95 1up4 h GLU 264 Ca 0.08 -0.43 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1up4 h GLU 264 Cb 0.55 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1up4 h GLU 264 CO 0.04 1.08 0.00 1.33 0.07 0.00 0.00 179.01 181.53 1up4 n VAL 265 N -3.78 0.70 0.00 -1.06 0.24 -0.67 -1.58 118.33 112.18 1up4 n VAL 265 Ca -0.06 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1up4 n VAL 265 Cb 0.80 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 1up4 n VAL 265 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1up4 n LYS 267 N 1.70 0.00 0.01 7.34 5.02 -1.16 -0.01 118.16 131.05 1up4 n LYS 267 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1up4 n LYS 267 Cb 0.18 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.11 1up4 n LYS 267 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1up4 h ILE 268 N 0.00 1.20 -0.75 -0.18 2.04 -1.60 -2.79 117.51 115.43 1up4 h ILE 268 Ca 0.00 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1up4 h ILE 268 Cb 0.00 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1up4 h ILE 268 CO 0.00 0.16 0.37 -0.33 0.00 0.00 0.00 178.15 178.35 1up4 h GLU 269 N -0.23 1.07 -0.11 2.37 5.08 -0.72 -0.54 114.58 121.51 1up4 h GLU 269 Ca 0.00 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1up4 h GLU 269 Cb 0.26 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1up4 h GLU 269 CO 0.00 0.83 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.54 1up4 h LYS 270 N 1.05 0.16 0.04 2.33 3.64 -1.79 -0.12 116.57 121.89 1up4 h LYS 270 Ca 0.26 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.36 1up4 h LYS 270 Cb 0.10 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1up4 h LYS 270 CO -0.03 0.25 -1.03 0.93 -2.27 0.00 0.00 179.45 177.30 1up4 h GLU 271 N 0.16 0.62 -0.56 1.90 5.08 -1.08 -2.86 114.58 117.83 1up4 h GLU 271 Ca 0.04 -0.72 -0.08 0.00 -1.00 0.00 0.00 59.36 57.59 1up4 h GLU 271 Cb 0.25 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1up4 h GLU 271 CO 0.01 1.31 0.03 -0.07 -1.00 0.00 0.00 179.01 179.29 1up4 h LEU 272 N 0.25 0.91 -0.68 1.33 3.38 -0.77 -2.50 115.31 117.23 1up4 h LEU 272 Ca -0.14 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1up4 h LEU 272 Cb 1.70 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 1up4 h LEU 272 CO 0.20 0.95 0.28 -0.26 0.09 0.00 0.00 178.44 179.70 1up4 h PHE 273 N 0.88 1.02 -0.75 1.13 0.04 -1.05 -2.07 116.94 116.14 1up4 h PHE 273 Ca 0.17 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1up4 h PHE 273 Cb 0.47 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1up4 h PHE 273 CO 0.03 0.78 0.34 0.93 -0.60 0.00 0.00 178.31 179.79 1up4 h GLU 274 N 0.95 1.08 0.00 1.51 4.39 -1.43 -3.50 114.58 117.59 1up4 h GLU 274 Ca 0.23 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1up4 h GLU 274 Cb 0.19 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1up4 h GLU 274 CO -0.02 0.85 0.00 1.63 -1.16 0.00 0.00 179.01 180.30 1up4 n LYS 275 N -4.31 2.87 -2.55 2.33 5.02 -0.78 -5.12 118.16 115.61 1up4 n LYS 275 Ca 0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.93 1up4 n LYS 275 Cb 0.15 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.14 1up4 n LYS 275 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1up4 s ILE 282 N 0.00 4.50 0.95 -0.18 1.09 -1.26 -5.10 121.20 121.19 1up4 s ILE 282 Ca 0.00 1.81 -0.14 0.00 -1.10 0.00 0.00 60.65 61.22 1up4 s ILE 282 Cb 0.00 -4.16 0.21 0.00 -1.06 0.00 0.00 42.46 37.45 1up4 s ILE 282 CO 0.00 -0.14 1.30 -2.16 -0.10 0.00 0.00 174.94 173.83 1up4 s PRO 283 N 3.21 0.58 -0.18 2.79 0.04 -1.26 -5.21 135.00 134.96 1up4 s PRO 283 Ca 0.49 -0.64 -0.21 0.00 0.04 0.00 0.00 61.00 60.69 1up4 s PRO 283 Cb -0.18 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1up4 s PRO 283 CO 0.11 -2.40 0.61 -1.21 0.04 0.00 0.00 177.00 174.15 1up4 s GLU 284 N -5.82 4.23 -0.77 4.56 2.02 -1.26 -5.17 118.70 116.49 1up4 s GLU 284 Ca 0.75 0.60 -0.24 0.00 0.02 0.00 0.00 54.97 56.10 1up4 s GLU 284 Cb -0.03 -3.56 -0.23 0.00 0.10 0.00 0.00 34.13 30.41 1up4 s GLU 284 CO 0.52 -0.18 1.88 0.41 0.02 0.00 0.00 175.26 177.91 1up4 n GLY 291 N 3.73 -0.25 2.61 -1.39 0.00 -1.26 -5.17 105.19 103.46 1up4 n GLY 291 Ca -0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1up4 n GLY 291 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1up4 n SER 292 N 16.27 2.32 0.00 1.61 3.41 -1.26 -4.78 113.62 131.19 1up4 n SER 292 Ca 0.37 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 1up4 n SER 292 Cb 0.46 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1up4 n SER 292 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1up4 n TYR 294 N 3.87 0.00 0.11 7.33 4.11 -1.26 -4.67 117.16 126.65 1up4 n TYR 294 Ca 0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.97 1up4 n TYR 294 Cb 0.16 -0.11 -0.08 0.00 -0.00 0.00 0.00 39.34 39.31 1up4 n TYR 294 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1up4 h SER 295 N 0.00 -0.18 -0.72 9.48 0.87 -1.88 -1.99 113.55 119.14 1up4 h SER 295 Ca 0.00 -0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.55 1up4 h SER 295 Cb 0.00 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 1up4 h SER 295 CO 0.00 -0.05 0.42 0.74 -0.53 0.00 0.00 176.83 177.41 1up4 h THR 296 N -0.29 0.99 -0.38 2.23 2.02 -1.86 -1.50 112.91 114.11 1up4 h THR 296 Ca -0.02 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 66.94 1up4 h THR 296 Cb 0.23 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 1up4 h THR 296 CO 0.03 0.14 0.15 0.00 0.37 0.00 0.00 175.52 176.21 1up4 h ALA 297 N 1.36 0.46 0.23 6.16 0.00 -1.90 -0.13 119.26 125.43 1up4 h ALA 297 Ca 0.32 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1up4 h ALA 297 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1up4 h ALA 297 CO -0.17 -0.24 -0.11 0.00 0.00 0.00 0.00 179.25 178.73 1up4 h ALA 298 N 1.24 -0.31 -0.47 0.00 0.00 -0.84 -1.65 119.26 117.23 1up4 h ALA 298 Ca 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1up4 h ALA 298 Cb 0.14 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1up4 h ALA 298 CO -0.16 -0.60 0.12 0.00 0.00 0.00 0.00 179.25 178.61 1up4 h ALA 299 N 0.28 0.62 -0.40 0.00 0.00 -1.19 -1.47 119.26 117.09 1up4 h ALA 299 Ca -0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1up4 h ALA 299 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1up4 h ALA 299 CO 0.05 0.30 -0.08 0.45 0.00 0.00 0.00 179.25 179.97 1up4 h HIS 300 N 0.63 0.75 -0.17 0.00 3.86 -1.00 0.07 115.15 119.29 1up4 h HIS 300 Ca 0.15 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1up4 h HIS 300 Cb 0.32 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1up4 h HIS 300 CO 0.02 0.75 0.02 1.25 0.86 0.00 0.00 177.93 180.83 1up4 h LEU 301 N 0.64 0.28 -0.67 2.43 5.85 -0.90 -1.86 115.31 121.08 1up4 h LEU 301 Ca 0.12 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1up4 h LEU 301 Cb 0.52 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1up4 h LEU 301 CO 0.03 0.48 0.38 0.40 -0.34 0.00 0.00 178.44 179.39 1up4 h ILE 302 N 0.07 1.21 -0.76 4.05 2.04 -1.04 0.24 117.51 123.32 1up4 h ILE 302 Ca 0.05 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.50 1up4 h ILE 302 Cb 0.33 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 1up4 h ILE 302 CO 0.00 0.22 0.41 -0.09 0.00 0.00 0.00 178.15 178.70 1up4 h ARG 303 N 0.91 0.68 0.00 2.37 1.12 -0.89 -1.94 114.38 116.64 1up4 h ARG 303 Ca 0.24 -0.04 -0.14 0.00 -1.11 0.00 0.00 59.98 58.92 1up4 h ARG 303 Cb 0.02 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 29.81 1up4 h ARG 303 CO -0.04 0.45 -0.98 -0.44 -3.11 0.00 0.00 179.97 175.85 1up4 h ASP 304 N 0.70 0.00 0.08 -3.80 3.32 -0.63 -2.09 116.42 114.00 1up4 h ASP 304 Ca 0.37 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 1up4 h ASP 304 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1up4 h ASP 304 CO -0.25 0.58 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.64 1up4 h LEU 305 N 0.00 0.15 0.16 1.55 4.07 -0.85 -3.31 115.31 117.07 1up4 h LEU 305 Ca -0.08 -0.03 -0.26 0.00 0.08 0.00 0.00 57.88 57.60 1up4 h LEU 305 Cb 1.52 -0.04 0.02 0.00 1.08 0.00 0.00 40.66 43.24 1up4 h LEU 305 CO 0.06 0.31 -1.20 -0.33 -1.08 0.00 0.00 178.44 176.21 1up4 h GLU 306 N 0.15 0.34 -7.34 1.13 4.39 -0.96 0.30 114.58 112.58 1up4 h GLU 306 Ca 0.03 -0.58 -0.46 0.00 0.34 0.00 0.00 59.36 58.69 1up4 h GLU 306 Cb 0.36 0.22 0.08 0.00 -0.10 0.00 0.00 28.75 29.30 1up4 h GLU 306 CO 0.02 1.28 0.26 0.95 -1.16 0.00 0.00 179.01 180.36 1up4 s THR 307 N -2.49 2.44 -0.75 1.13 -4.23 -0.82 -4.69 115.64 106.23 1up4 s THR 307 Ca -0.15 -0.16 0.16 0.00 -1.18 0.00 0.00 61.69 60.37 1up4 s THR 307 Cb 0.03 -3.07 0.67 0.00 1.34 0.00 0.00 72.50 71.46 1up4 s THR 307 CO 0.84 -0.08 1.58 -0.67 -0.54 0.00 0.00 174.62 175.74 1up4 n ASP 308 N -2.95 4.62 0.25 3.99 2.03 -1.26 -1.57 116.55 121.65 1up4 n ASP 308 Ca 0.08 -2.61 -0.16 0.00 0.52 0.00 0.00 54.79 52.62 1up4 n ASP 308 Cb 0.60 -0.56 -0.08 0.00 -0.72 0.00 0.00 41.12 40.36 1up4 n ASP 308 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1up4 h GLU 309 N 3.43 -0.56 -1.07 -0.67 5.08 -1.90 -3.46 114.58 115.44 1up4 h GLU 309 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1up4 h GLU 309 Cb 1.49 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1up4 h GLU 309 CO 0.26 -0.34 0.00 0.41 -1.00 0.00 0.00 179.01 178.34 1up4 n GLY 310 N -1.19 -0.90 3.11 -3.84 0.00 -1.24 -5.07 105.19 96.05 1up4 n GLY 310 Ca -0.11 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 1up4 n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1up4 s LYS 311 N -0.60 0.65 -0.10 1.61 -0.14 -0.68 -4.90 119.74 115.58 1up4 s LYS 311 Ca 0.00 -1.03 -0.19 0.00 -1.36 0.00 0.00 55.97 53.39 1up4 s LYS 311 Cb 0.00 -0.20 -0.04 0.00 -1.68 0.00 0.00 37.83 35.91 1up4 s LYS 311 CO 0.00 0.01 0.52 0.42 -0.76 0.00 0.00 175.35 175.54 1up4 s ILE 312 N -2.51 5.14 -0.02 2.17 -1.09 -1.26 -0.49 121.20 123.15 1up4 s ILE 312 Ca 0.00 1.06 0.02 0.00 -2.23 0.00 0.00 60.65 59.50 1up4 s ILE 312 Cb -0.02 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1up4 s ILE 312 CO -0.03 0.32 -0.06 -1.00 -1.23 0.00 0.00 174.94 172.94 1up4 s HIS 313 N 0.58 0.68 -0.22 3.97 3.76 -0.69 -4.93 115.29 118.44 1up4 s HIS 313 Ca 0.28 -0.15 -0.26 0.00 -0.15 0.00 0.00 55.06 54.78 1up4 s HIS 313 Cb -0.16 -0.51 -0.00 0.00 1.11 0.00 0.00 32.58 33.02 1up4 s HIS 313 CO 0.12 -0.08 0.88 0.42 -0.85 0.00 0.00 174.74 175.24 1up4 s ILE 314 N 0.23 4.81 0.07 0.60 1.01 -1.26 -0.03 121.20 126.63 1up4 s ILE 314 Ca -0.03 1.70 -0.09 0.00 0.00 0.00 0.00 60.65 62.24 1up4 s ILE 314 Cb -0.07 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1up4 s ILE 314 CO -0.00 -0.08 0.19 -0.69 0.00 0.00 0.00 174.94 174.37 1up4 s VAL 315 N 2.77 0.13 -0.24 2.92 1.01 -0.42 -4.85 120.40 121.72 1up4 s VAL 315 Ca 0.38 -1.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.08 1up4 s VAL 315 Cb -0.16 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1up4 s VAL 315 CO 0.08 -0.59 0.65 0.20 0.00 0.00 0.00 175.10 175.44 1up4 s ASN 316 N -2.56 6.63 0.26 3.32 0.01 0.14 -1.40 114.94 121.34 1up4 s ASN 316 Ca 0.01 0.77 -0.20 0.00 -0.71 0.00 0.00 52.86 52.73 1up4 s ASN 316 Cb 0.03 -2.35 0.06 0.00 0.41 0.00 0.00 41.25 39.39 1up4 s ASN 316 CO -0.08 -0.36 0.88 0.28 -1.51 0.00 0.00 177.10 176.31 1up4 s THR 317 N 2.39 0.00 0.28 1.60 -1.32 -0.15 -2.60 115.64 115.84 1up4 s THR 317 Ca 0.28 -0.82 -0.30 0.00 -1.21 0.00 0.00 61.69 59.64 1up4 s THR 317 Cb -0.16 -2.55 -0.11 0.00 -1.51 0.00 0.00 72.50 68.17 1up4 s THR 317 CO 0.09 0.00 1.58 -0.13 -2.21 0.00 0.00 174.62 173.95 1up4 s ARG 318 N -2.74 4.15 0.13 7.08 0.52 -1.26 0.24 118.95 127.06 1up4 s ARG 318 Ca 0.16 2.53 -0.30 0.00 -0.52 0.00 0.00 55.73 57.60 1up4 s ARG 318 Cb -0.04 -3.04 -0.09 0.00 0.52 0.00 0.00 34.95 32.30 1up4 s ARG 318 CO 0.07 -0.61 1.51 -0.97 0.02 0.00 0.00 175.30 175.32 1up4 h ASN 319 N 5.09 -1.85 -6.76 0.23 -1.24 -0.71 -3.45 115.58 106.89 1up4 h ASN 319 Ca -0.46 0.26 -0.55 0.00 0.71 0.00 0.00 56.30 56.25 1up4 h ASN 319 Cb 1.22 0.78 -0.15 0.00 0.73 0.00 0.00 38.32 40.90 1up4 h ASN 319 CO 0.81 -0.32 -0.90 0.59 -1.29 0.00 0.00 177.43 176.31 1up4 n ASN 320 N -5.17 -0.68 0.00 1.15 5.03 -0.40 -1.18 115.26 114.01 1up4 n ASN 320 Ca -0.02 -1.10 0.00 0.00 0.87 0.00 0.00 54.58 54.34 1up4 n ASN 320 Cb 0.29 -2.50 0.00 0.00 -1.02 0.00 0.00 39.78 36.56 1up4 n ASN 320 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1up4 n GLY 321 N -1.97 1.22 0.25 7.41 0.00 -1.26 -4.92 105.19 105.93 1up4 n GLY 321 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1up4 n GLY 321 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1up4 h SER 322 N 0.00 -0.67 -3.70 1.61 0.87 -1.29 -3.37 113.55 107.01 1up4 h SER 322 Ca 0.00 0.12 -0.69 0.00 -1.23 0.00 0.00 61.79 59.98 1up4 h SER 322 Cb 0.00 0.31 -0.30 0.00 -0.44 0.00 0.00 62.40 61.97 1up4 h SER 322 CO 0.00 -0.26 -0.63 -0.63 -0.53 0.00 0.00 176.83 174.78 1up4 s ILE 323 N -6.10 3.49 0.03 2.23 -1.09 -1.26 -1.42 121.20 117.07 1up4 s ILE 323 Ca -0.15 -1.27 0.32 0.00 -2.23 0.00 0.00 60.65 57.33 1up4 s ILE 323 Cb 0.11 -3.01 0.36 0.00 -1.58 0.00 0.00 42.46 38.34 1up4 s ILE 323 CO 0.68 -0.18 1.96 1.05 -1.23 0.00 0.00 174.94 177.21 1up4 h GLU 324 N 8.14 0.00 0.00 2.79 4.11 -1.44 -1.74 114.58 126.43 1up4 h GLU 324 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1up4 h GLU 324 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1up4 h GLU 324 CO 0.58 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.75 1up4 n ASN 325 N -2.85 0.18 -4.16 3.06 4.13 -1.26 -4.85 115.26 109.50 1up4 n ASN 325 Ca 0.00 0.54 -0.19 0.00 1.68 0.00 0.00 54.58 56.61 1up4 n ASN 325 Cb 0.24 -0.58 -0.13 0.00 -1.54 0.00 0.00 39.78 37.78 1up4 n ASN 325 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1up4 s LEU 326 N -3.38 2.23 0.44 3.41 1.02 -0.66 -4.97 118.68 116.78 1up4 s LEU 326 Ca 0.08 -0.55 -0.25 0.00 0.02 0.00 0.00 54.13 53.43 1up4 s LEU 326 Cb 0.11 -0.57 -0.09 0.00 0.02 0.00 0.00 46.19 45.66 1up4 s LEU 326 CO 0.35 -0.03 1.27 -2.65 0.02 0.00 0.00 176.35 175.31 1up4 n PRO 327 N 1.53 1.87 0.15 1.29 -0.02 -1.26 -4.84 135.00 133.72 1up4 n PRO 327 Ca -0.20 0.67 0.14 0.00 -2.02 0.00 0.00 63.50 62.09 1up4 n PRO 327 Cb 0.54 -2.40 0.69 0.00 -0.02 0.00 0.00 33.50 32.31 1up4 n PRO 327 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1up4 h ASP 328 N 1.96 0.00 0.13 2.55 3.32 -1.96 -2.88 116.42 119.54 1up4 h ASP 328 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1up4 h ASP 328 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1up4 h ASP 328 CO 0.59 0.00 -0.31 -0.90 -1.72 0.00 0.00 179.24 176.90 1up4 n ASP 329 N -4.38 1.44 -4.69 6.45 5.75 -1.26 -1.27 116.55 118.59 1up4 n ASP 329 Ca 0.02 -1.17 -0.44 0.00 -0.01 0.00 0.00 54.79 53.20 1up4 n ASP 329 Cb 0.32 0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 40.61 1up4 n ASP 329 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1up4 n TYR 330 N -0.34 2.56 -2.43 2.11 4.02 -1.09 -4.72 117.16 117.27 1up4 n TYR 330 Ca 0.12 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.90 57.56 1up4 n TYR 330 Cb 0.40 -2.68 -0.03 0.00 -0.02 0.00 0.00 39.34 37.01 1up4 n TYR 330 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1up4 s VAL 331 N 2.22 4.17 0.26 -0.72 1.01 -1.26 -0.72 120.40 125.36 1up4 s VAL 331 Ca 0.81 1.51 0.08 0.00 0.00 0.00 0.00 61.98 64.38 1up4 s VAL 331 Cb -0.54 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 1up4 s VAL 331 CO 0.38 0.01 -0.11 -0.76 0.00 0.00 0.00 175.10 174.62 1up4 s LEU 332 N 2.11 2.54 -0.42 3.92 1.43 0.14 -4.85 118.68 123.55 1up4 s LEU 332 Ca 0.57 -1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 52.40 1up4 s LEU 332 Cb -0.26 -0.74 0.03 0.00 0.03 0.00 0.00 46.19 45.24 1up4 s LEU 332 CO 0.23 -0.22 0.35 -0.70 0.23 0.00 0.00 176.35 176.25 1up4 s GLU 333 N -3.66 3.01 0.05 1.70 2.12 0.96 -0.97 118.70 121.91 1up4 s GLU 333 Ca 0.27 -0.97 -0.10 0.00 0.36 0.00 0.00 54.97 54.54 1up4 s GLU 333 Cb 0.01 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.41 1up4 s GLU 333 CO 0.11 -0.81 0.20 0.96 -0.54 0.00 0.00 175.26 175.18 1up4 s ILE 334 N 1.83 0.11 0.10 -3.70 -4.36 -0.50 -3.32 121.20 111.37 1up4 s ILE 334 Ca 0.07 -0.94 -0.31 0.00 -0.26 0.00 0.00 60.65 59.21 1up4 s ILE 334 Cb -0.19 -1.01 -0.08 0.00 1.25 0.00 0.00 42.46 42.43 1up4 s ILE 334 CO 0.11 -0.52 1.41 -2.84 0.24 0.00 0.00 174.94 173.34 1up4 s PRO 335 N -2.86 4.31 0.20 0.37 0.02 -1.26 -1.30 135.00 134.48 1up4 s PRO 335 Ca -0.03 2.08 0.10 0.00 0.02 0.00 0.00 61.00 63.17 1up4 s PRO 335 Cb 0.00 -3.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 1up4 s PRO 335 CO -0.05 -0.47 -0.19 0.00 -0.33 0.00 0.00 177.00 175.96 1up4 s TYR 337 N -2.21 3.26 -0.13 0.00 5.04 0.26 -1.70 117.35 121.88 1up4 s TYR 337 Ca 0.21 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.51 1up4 s TYR 337 Cb -0.05 -2.77 -0.01 0.00 0.35 0.00 0.00 41.96 39.47 1up4 s TYR 337 CO 0.09 -0.31 -0.14 0.08 -1.34 0.00 0.00 175.55 173.93 1up4 s VAL 338 N 2.38 2.93 -0.29 3.14 1.01 0.36 -0.14 120.40 129.79 1up4 s VAL 338 Ca 0.23 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 1up4 s VAL 338 Cb -0.16 -2.22 0.14 0.00 0.00 0.00 0.00 36.38 34.15 1up4 s VAL 338 CO 0.09 0.53 0.94 -0.60 0.00 0.00 0.00 175.10 176.06 1up4 s ARG 339 N 0.35 0.40 -1.14 2.72 3.52 -0.73 -1.68 118.95 122.39 1up4 s ARG 339 Ca -0.12 0.75 -0.29 0.00 -0.13 0.00 0.00 55.73 55.94 1up4 s ARG 339 Cb -0.16 0.17 0.04 0.00 -1.56 0.00 0.00 34.95 33.43 1up4 s ARG 339 CO 0.06 -0.09 0.67 0.43 -0.81 0.00 0.00 175.30 175.56 1up4 n SER 340 N 4.02 -4.29 0.00 -2.12 7.64 -0.61 -1.46 113.62 116.80 1up4 n SER 340 Ca -0.17 -1.24 0.00 0.00 1.01 0.00 0.00 58.87 58.47 1up4 n SER 340 Cb 0.57 -1.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 1up4 n SER 340 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1up4 n GLY 341 N -2.01 1.34 3.57 0.23 0.00 0.10 -4.98 105.19 103.45 1up4 n GLY 341 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1up4 n GLY 341 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1up4 s ARG 342 N -0.10 2.10 -0.24 1.61 0.52 -0.54 -5.09 118.95 117.22 1up4 s ARG 342 Ca 0.00 -1.08 0.02 0.00 -0.52 0.00 0.00 55.73 54.14 1up4 s ARG 342 Cb 0.00 -2.27 0.06 0.00 0.52 0.00 0.00 34.95 33.26 1up4 s ARG 342 CO 0.00 0.49 -0.08 0.08 0.02 0.00 0.00 175.30 175.81 1up4 s VAL 343 N -1.32 1.76 -0.15 3.52 1.01 -1.26 -1.77 120.40 122.19 1up4 s VAL 343 Ca 0.22 -1.35 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 1up4 s VAL 343 Cb -0.11 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1up4 s VAL 343 CO 0.14 -0.05 0.04 -1.00 0.00 0.00 0.00 175.10 174.23 1up4 s HIS 344 N 1.29 3.24 0.36 5.22 3.76 0.81 -4.92 115.29 125.05 1up4 s HIS 344 Ca -0.07 0.11 -0.26 0.00 -0.15 0.00 0.00 55.06 54.69 1up4 s HIS 344 Cb -0.19 -1.98 -0.09 0.00 1.11 0.00 0.00 32.58 31.43 1up4 s HIS 344 CO -0.06 0.27 1.09 0.99 -0.85 0.00 0.00 174.74 176.18 1up4 s THR 345 N -0.09 3.54 0.04 1.30 2.01 -1.26 0.90 115.64 122.09 1up4 s THR 345 Ca 0.06 1.31 0.04 0.00 0.31 0.00 0.00 61.69 63.41 1up4 s THR 345 Cb -0.12 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1up4 s THR 345 CO 0.01 0.13 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.30 1up4 s LEU 346 N -2.24 3.38 0.30 4.42 1.02 -1.25 -4.84 118.68 119.47 1up4 s LEU 346 Ca 0.53 -0.14 -0.30 0.00 0.02 0.00 0.00 54.13 54.25 1up4 s LEU 346 Cb -0.27 -2.03 -0.12 0.00 0.02 0.00 0.00 46.19 43.80 1up4 s LEU 346 CO 0.34 0.23 1.57 -1.20 0.02 0.00 0.00 176.35 177.31 1up4 n SER 347 N 1.04 3.80 0.00 2.29 7.64 -1.26 -4.07 113.62 123.06 1up4 n SER 347 Ca -0.13 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1up4 n SER 347 Cb 0.52 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1up4 n SER 347 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1up4 n GLN 348 N 1.90 3.35 0.00 1.43 6.02 -0.51 -5.02 117.38 124.55 1up4 n GLN 348 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1up4 n GLN 348 Cb 0.37 -0.49 0.00 0.00 1.02 0.00 0.00 30.24 31.14 1up4 n GLN 348 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1up4 n GLY 349 N 0.89 0.34 3.87 1.08 0.00 -1.23 -4.96 105.19 105.19 1up4 n GLY 349 Ca 0.00 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 1up4 n GLY 349 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1up4 s LYS 350 N 0.00 3.75 0.31 1.61 1.02 -1.26 -1.55 119.74 123.62 1up4 s LYS 350 Ca 0.00 0.15 -0.11 0.00 0.02 0.00 0.00 55.97 56.04 1up4 s LYS 350 Cb 0.00 -2.87 -0.07 0.00 -0.52 0.00 0.00 37.83 34.37 1up4 s LYS 350 CO 0.00 0.47 0.67 0.20 -0.92 0.00 0.00 175.35 175.77 1up4 s GLY 351 N -2.08 2.16 0.28 -3.33 0.00 -1.26 -4.95 107.32 98.13 1up4 s GLY 351 Ca 0.39 -0.19 -0.29 0.00 0.00 0.00 0.00 44.72 44.63 1up4 s GLY 351 CO 0.21 -0.02 1.25 -0.35 0.00 0.00 0.00 173.10 174.19 1up4 s ASP 352 N -2.64 6.94 0.32 1.64 -1.08 -1.26 -4.88 116.67 115.70 1up4 s ASP 352 Ca 0.50 2.51 0.07 0.00 -0.52 0.00 0.00 52.55 55.11 1up4 s ASP 352 Cb -0.11 -2.63 0.78 0.00 -1.46 0.00 0.00 42.92 39.50 1up4 s ASP 352 CO 0.24 -0.43 1.79 0.45 0.52 0.00 0.00 175.17 177.74 1up4 h HIS 353 N 3.99 1.01 0.01 -5.34 3.86 -1.98 0.27 115.15 116.96 1up4 h HIS 353 Ca -0.47 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1up4 h HIS 353 Cb 1.22 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1up4 h HIS 353 CO 0.58 0.24 -0.01 0.35 0.86 0.00 0.00 177.93 179.95 1up4 h PHE 354 N 0.73 -0.01 -0.43 2.45 3.57 -1.98 -1.80 116.94 119.47 1up4 h PHE 354 Ca 0.56 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 62.08 1up4 h PHE 354 Cb 0.92 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1up4 h PHE 354 CO -0.00 0.04 0.26 0.00 -2.23 0.00 0.00 178.31 176.37 1up4 h ALA 355 N 0.93 0.55 -0.42 2.41 0.00 -1.64 -2.88 119.26 118.21 1up4 h ALA 355 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1up4 h ALA 355 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1up4 h ALA 355 CO 0.00 -0.06 0.11 -0.07 0.00 0.00 0.00 179.25 179.24 1up4 h LEU 356 N 0.53 0.57 -0.87 0.00 4.07 -0.71 -1.51 115.31 117.38 1up4 h LEU 356 Ca 0.17 -0.08 0.01 0.00 0.08 0.00 0.00 57.88 58.06 1up4 h LEU 356 Cb 0.00 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.55 1up4 h LEU 356 CO -0.07 0.57 0.57 0.77 -1.08 0.00 0.00 178.44 179.19 1up4 h SER 357 N 0.61 1.01 0.00 -0.43 4.64 -1.10 0.30 113.55 118.58 1up4 h SER 357 Ca 0.14 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1up4 h SER 357 Cb 0.22 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1up4 h SER 357 CO -0.00 0.74 -0.00 -0.26 -0.87 0.00 0.00 176.83 176.43 1up4 h PHE 358 N 1.18 -0.00 -0.06 4.77 0.04 -1.50 -2.57 116.94 118.80 1up4 h PHE 358 Ca 0.32 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.13 1up4 h PHE 358 Cb -0.12 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 37.98 1up4 h PHE 358 CO -0.01 0.45 -0.29 0.82 -0.60 0.00 0.00 178.31 178.68 1up4 h ILE 359 N -0.46 0.34 -0.41 -0.55 2.04 -0.86 -1.82 117.51 115.79 1up4 h ILE 359 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1up4 h ILE 359 Cb 0.45 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1up4 h ILE 359 CO 0.00 0.00 0.02 0.45 0.00 0.00 0.00 178.15 178.62 1up4 h HIS 360 N -0.41 0.02 0.13 1.37 3.86 -1.05 -0.81 115.15 118.27 1up4 h HIS 360 Ca 0.08 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1up4 h HIS 360 Cb 0.52 0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1up4 h HIS 360 CO -0.35 -0.06 -0.06 0.00 0.86 0.00 0.00 177.93 178.32 1up4 h ALA 361 N 1.35 -0.18 -0.09 2.45 0.00 -0.98 -2.91 119.26 118.90 1up4 h ALA 361 Ca 0.20 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1up4 h ALA 361 Cb 0.28 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1up4 h ALA 361 CO -0.32 -0.57 -0.50 0.28 0.00 0.00 0.00 179.25 178.15 1up4 h VAL 362 N -0.23 1.34 0.00 0.00 2.07 -1.35 -2.34 116.25 115.74 1up4 h VAL 362 Ca -0.02 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1up4 h VAL 362 Cb 0.18 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1up4 h VAL 362 CO 0.03 0.51 0.00 1.17 0.02 0.00 0.00 177.57 179.30 1up4 n LYS 363 N -3.96 0.00 0.00 1.57 3.00 -0.31 0.25 118.16 118.71 1up4 n LYS 363 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1up4 n LYS 363 Cb 0.54 -1.04 0.00 0.00 0.00 0.00 0.00 35.03 34.53 1up4 n LYS 363 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1up4 n TYR 365 N 0.55 0.00 -0.12 5.64 9.36 -0.88 -1.82 117.16 129.88 1up4 n TYR 365 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1up4 n TYR 365 Cb 0.00 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 38.74 1up4 n TYR 365 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1up4 h GLU 366 N 0.00 0.24 -0.18 2.98 5.08 -0.49 -0.51 114.58 121.71 1up4 h GLU 366 Ca 0.00 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 1up4 h GLU 366 Cb 0.00 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1up4 h GLU 366 CO 0.00 0.16 -0.64 0.00 -1.00 0.00 0.00 179.01 177.53 1up4 h ARG 367 N 0.24 0.64 -0.91 2.33 2.47 -1.63 -2.05 114.38 115.48 1up4 h ARG 367 Ca 0.18 -0.45 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 1up4 h ARG 367 Cb 0.19 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.54 1up4 h ARG 367 CO -0.21 1.07 0.54 -0.07 0.56 0.00 0.00 179.97 181.85 1up4 h LEU 368 N 0.47 1.11 -0.52 3.04 3.38 -1.77 0.46 115.31 121.48 1up4 h LEU 368 Ca -0.01 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1up4 h LEU 368 Cb 1.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1up4 h LEU 368 CO 0.12 0.86 0.11 0.74 0.09 0.00 0.00 178.44 180.37 1up4 h THR 369 N 1.26 1.25 -0.44 0.22 2.02 -0.93 -1.62 112.91 114.67 1up4 h THR 369 Ca 0.33 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1up4 h THR 369 Cb -0.03 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1up4 h THR 369 CO -0.06 0.32 0.24 0.40 0.37 0.00 0.00 175.52 176.80 1up4 h ILE 370 N 0.73 1.16 -0.78 3.11 2.04 -0.95 -1.56 117.51 121.25 1up4 h ILE 370 Ca 0.16 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1up4 h ILE 370 Cb 0.36 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1up4 h ILE 370 CO 0.00 0.17 0.42 -0.33 0.00 0.00 0.00 178.15 178.41 1up4 h GLU 371 N 0.57 1.09 -0.52 2.37 5.08 -0.81 0.52 114.58 122.88 1up4 h GLU 371 Ca 0.15 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1up4 h GLU 371 Cb 0.05 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1up4 h GLU 371 CO -0.03 0.81 0.20 0.00 -1.00 0.00 0.00 179.01 178.99 1up4 h ALA 372 N 1.37 0.68 0.19 3.43 0.00 -1.00 -2.28 119.26 121.65 1up4 h ALA 372 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1up4 h ALA 372 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1up4 h ALA 372 CO -0.04 0.29 -0.09 -0.92 0.00 0.00 0.00 179.25 178.49 1up4 h TYR 373 N 0.70 -0.24 -0.18 0.00 3.20 -0.45 0.22 116.97 120.23 1up4 h TYR 373 Ca 0.17 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1up4 h TYR 373 Cb 0.20 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1up4 h TYR 373 CO 0.01 -0.09 0.12 -0.07 -1.64 0.00 0.00 178.16 176.49 1up4 h LEU 374 N -0.33 0.12 -1.60 2.82 3.38 -0.84 0.13 115.31 118.98 1up4 h LEU 374 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1up4 h LEU 374 Cb 0.26 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1up4 h LEU 374 CO 0.04 0.09 -0.05 0.29 0.09 0.00 0.00 178.44 178.90 1up4 n LYS 375 N -4.51 2.04 -3.98 1.13 5.02 -0.87 -4.97 118.16 112.04 1up4 n LYS 375 Ca 0.00 -1.60 -0.29 0.00 -2.02 0.00 0.00 58.31 54.40 1up4 n LYS 375 Cb 0.15 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1up4 n LYS 375 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1up4 n ARG 376 N 0.92 -4.02 -3.91 1.97 5.12 0.45 -4.92 116.66 112.27 1up4 n ARG 376 Ca 0.15 0.47 -0.35 0.00 -1.93 0.00 0.00 57.85 56.19 1up4 n ARG 376 Cb 0.53 -4.99 -0.14 0.00 -1.16 0.00 0.00 32.46 26.70 1up4 n ARG 376 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1up4 s SER 377 N -3.85 4.28 0.14 0.55 0.15 -0.41 -0.82 113.70 113.74 1up4 s SER 377 Ca 0.35 -0.41 -0.16 0.00 0.70 0.00 0.00 55.95 56.43 1up4 s SER 377 Cb -0.18 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 1up4 s SER 377 CO 0.87 -0.02 1.74 0.50 1.20 0.00 0.00 173.24 177.53 1up4 h LYS 378 N 8.11 0.56 -0.26 5.44 3.64 -1.84 -1.71 116.57 130.52 1up4 h LYS 378 Ca -0.41 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 1up4 h LYS 378 Cb 1.16 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.81 1up4 h LYS 378 CO 0.60 0.46 -0.13 0.87 -2.27 0.00 0.00 179.45 178.98 1up4 h LYS 379 N 0.52 -0.10 0.00 1.90 1.57 -1.94 -1.60 116.57 116.92 1up4 h LYS 379 Ca 0.14 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1up4 h LYS 379 Cb 0.07 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1up4 h LYS 379 CO -0.02 -0.07 -0.32 -0.07 -0.57 0.00 0.00 179.45 178.40 1up4 h LEU 380 N -0.10 0.00 -0.66 2.94 3.38 -1.90 -2.51 115.31 116.45 1up4 h LEU 380 Ca 0.14 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1up4 h LEU 380 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1up4 h LEU 380 CO -0.32 0.32 -0.03 0.00 0.09 0.00 0.00 178.44 178.49 1up4 h ALA 381 N 1.68 0.87 -0.31 1.53 0.00 -0.56 -0.74 119.26 121.73 1up4 h ALA 381 Ca -0.00 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1up4 h ALA 381 Cb 0.65 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1up4 h ALA 381 CO 0.04 0.66 0.11 -0.07 0.00 0.00 0.00 179.25 179.99 1up4 h LEU 382 N 0.91 0.13 -0.70 0.00 4.07 -1.02 0.10 115.31 118.81 1up4 h LEU 382 Ca 0.16 0.03 0.06 0.00 0.08 0.00 0.00 57.88 58.21 1up4 h LEU 382 Cb 0.58 0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.28 1up4 h LEU 382 CO 0.03 0.11 0.40 0.50 -1.08 0.00 0.00 178.44 178.40 1up4 h LYS 383 N 0.25 0.72 -0.08 1.13 3.64 -1.17 0.09 116.57 121.14 1up4 h LYS 383 Ca 0.14 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1up4 h LYS 383 Cb 0.10 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1up4 h LYS 383 CO -0.14 0.47 0.02 0.00 -2.27 0.00 0.00 179.45 177.54 1up4 h ALA 384 N 1.35 0.10 -0.62 5.00 0.00 -0.68 -2.66 119.26 121.75 1up4 h ALA 384 Ca 0.31 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1up4 h ALA 384 Cb 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1up4 h ALA 384 CO -0.18 -0.27 0.38 1.25 0.00 0.00 0.00 179.25 180.43 1up4 h LEU 385 N -0.08 0.60 -2.33 0.00 5.85 -0.37 -1.14 115.31 117.84 1up4 h LEU 385 Ca 0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1up4 h LEU 385 Cb 0.24 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1up4 h LEU 385 CO 0.00 0.42 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.40 1up4 h LEU 386 N 0.73 0.00 0.00 2.25 3.38 -0.89 -3.01 115.31 117.76 1up4 h LEU 386 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1up4 h LEU 386 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1up4 h LEU 386 CO -0.12 0.04 -0.40 0.77 0.09 0.00 0.00 178.44 178.83 1up4 h SER 387 N 0.00 0.00 -3.11 -0.43 4.64 -0.84 -3.46 113.55 110.34 1up4 h SER 387 Ca -0.00 -0.10 -0.53 0.00 -0.47 0.00 0.00 61.79 60.68 1up4 h SER 387 Cb 0.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1up4 h SER 387 CO 0.01 0.05 0.63 -2.28 -0.87 0.00 0.00 176.83 174.37 1up4 s HIS 388 N -3.17 3.36 0.56 4.77 5.04 -1.14 -4.76 115.29 119.95 1up4 s HIS 388 Ca 0.07 1.16 0.30 0.00 -1.54 0.00 0.00 55.06 55.05 1up4 s HIS 388 Cb 0.12 -3.53 1.46 0.00 0.04 0.00 0.00 32.58 30.67 1up4 s HIS 388 CO 0.68 -1.73 1.87 -1.35 -2.34 0.00 0.00 174.74 171.87 1up4 h PRO 389 N 6.81 0.00 -0.41 2.88 0.11 -1.90 0.25 132.00 139.74 1up4 h PRO 389 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1up4 h PRO 389 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1up4 h PRO 389 CO 0.83 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.90 1up4 n LEU 390 N -3.98 4.28 0.00 2.35 4.77 -1.26 -5.02 117.00 118.15 1up4 n LEU 390 Ca 0.14 -2.75 -0.21 0.00 -0.03 0.00 0.00 56.01 53.16 1up4 n LEU 390 Cb 0.86 -0.53 0.13 0.00 -2.33 0.00 0.00 43.42 41.54 1up4 n LEU 390 CO 0.33 0.70 0.57 0.61 -1.33 0.00 0.00 177.39 178.27 1up4 n GLY 391 N 0.17 -0.28 3.77 -0.72 0.00 0.88 -4.52 105.19 104.49 1up4 n GLY 391 Ca 0.22 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 1up4 n GLY 391 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1up4 s PRO 392 N -4.94 3.14 0.72 1.61 0.04 -1.26 -5.00 135.00 129.30 1up4 s PRO 392 Ca 0.57 1.51 -0.13 0.00 0.04 0.00 0.00 61.00 62.99 1up4 s PRO 392 Cb -0.02 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1up4 s PRO 392 CO 0.39 -1.00 1.12 -0.51 0.04 0.00 0.00 177.00 177.04 1up4 s ASP 393 N -2.12 4.68 0.33 6.66 1.11 -1.26 -4.69 116.67 121.38 1up4 s ASP 393 Ca 0.70 2.01 0.12 0.00 0.18 0.00 0.00 52.55 55.56 1up4 s ASP 393 Cb -0.22 -2.55 0.94 0.00 1.07 0.00 0.00 42.92 42.16 1up4 s ASP 393 CO 0.33 -1.92 1.73 0.58 1.18 0.00 0.00 175.17 177.06 1up4 h VAL 394 N -0.45 0.51 0.00 -1.27 2.07 -1.98 -0.40 116.25 114.73 1up4 h VAL 394 Ca -0.46 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1up4 h VAL 394 Cb 1.25 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1up4 h VAL 394 CO 0.52 0.10 0.00 1.05 0.02 0.00 0.00 177.57 179.26 1up4 h GLU 395 N 0.53 0.00 0.00 1.57 4.11 -2.05 -3.08 114.58 115.67 1up4 h GLU 395 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.08 1up4 h GLU 395 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1up4 h GLU 395 CO -0.46 0.00 -0.86 -0.25 0.07 0.00 0.00 179.01 177.51 1up4 n ASP 396 N -3.06 1.07 -0.07 3.06 8.00 -0.22 -4.74 116.55 120.59 1up4 n ASP 396 Ca -0.00 -0.54 -0.07 0.00 0.71 0.00 0.00 54.79 54.89 1up4 n ASP 396 Cb 0.23 1.17 -0.01 0.00 -0.02 0.00 0.00 41.12 42.49 1up4 n ASP 396 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up4 h ALA 397 N 1.48 0.23 -0.10 2.24 0.00 -1.30 -0.80 119.26 121.01 1up4 h ALA 397 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1up4 h ALA 397 Cb 0.36 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1up4 h ALA 397 CO 0.00 -0.43 0.04 0.87 0.00 0.00 0.00 179.25 179.73 1up4 h LYS 398 N 0.06 0.16 -0.51 0.00 1.57 -1.85 -0.71 116.57 115.28 1up4 h LYS 398 Ca 0.13 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1up4 h LYS 398 Cb 0.18 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1up4 h LYS 398 CO -0.24 0.29 0.30 -0.44 -0.57 0.00 0.00 179.45 178.79 1up4 h ASP 399 N -0.01 0.48 -0.22 0.86 5.19 -1.85 -1.87 116.42 119.01 1up4 h ASP 399 Ca 0.03 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 1up4 h ASP 399 Cb 0.20 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1up4 h ASP 399 CO -0.00 0.34 0.11 0.25 -3.12 0.00 0.00 179.24 176.82 1up4 h LEU 400 N 0.60 0.28 -0.54 1.55 5.85 -0.83 -2.08 115.31 120.14 1up4 h LEU 400 Ca 0.21 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1up4 h LEU 400 Cb 0.03 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1up4 h LEU 400 CO -0.10 0.31 0.29 0.25 -0.34 0.00 0.00 178.44 178.85 1up4 h LEU 401 N 0.23 0.68 -1.37 2.25 5.85 -1.00 -0.99 115.31 120.96 1up4 h LEU 401 Ca 0.08 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1up4 h LEU 401 Cb 0.10 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1up4 h LEU 401 CO -0.01 0.59 0.30 -0.33 -0.34 0.00 0.00 178.44 178.65 1up4 h GLU 402 N 0.72 0.73 -0.40 1.25 5.08 -1.22 -0.14 114.58 120.60 1up4 h GLU 402 Ca 0.19 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1up4 h GLU 402 Cb 0.06 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1up4 h GLU 402 CO -0.03 0.53 -0.04 0.93 -1.00 0.00 0.00 179.01 179.40 1up4 h GLU 403 N 0.74 0.74 -0.38 2.33 5.08 -0.77 -1.98 114.58 120.35 1up4 h GLU 403 Ca 0.19 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1up4 h GLU 403 Cb 0.01 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1up4 h GLU 403 CO -0.03 0.85 0.19 0.82 -1.00 0.00 0.00 179.01 179.84 1up4 h ILE 404 N 0.56 1.16 -0.06 3.13 2.04 -0.51 -2.05 117.51 121.78 1up4 h ILE 404 Ca 0.11 -0.43 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 1up4 h ILE 404 Cb 0.54 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1up4 h ILE 404 CO 0.03 0.17 -0.63 -0.07 0.00 0.00 0.00 178.15 177.64 1up4 h LEU 405 N 0.48 0.25 -0.26 1.44 3.38 -1.03 -1.07 115.31 118.49 1up4 h LEU 405 Ca 0.13 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1up4 h LEU 405 Cb 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1up4 h LEU 405 CO -0.02 0.81 -0.00 -0.08 0.09 0.00 0.00 178.44 179.24 1up4 h GLU 406 N 0.16 0.46 -0.56 1.13 4.57 -1.33 -2.34 114.58 116.66 1up4 h GLU 406 Ca -0.01 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1up4 h GLU 406 Cb 1.14 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 1up4 h GLU 406 CO 0.10 0.63 0.30 0.00 -1.18 0.00 0.00 179.01 178.85 1up4 h ALA 407 N 0.81 1.47 -0.56 2.92 0.00 -1.16 -2.73 119.26 120.01 1up4 h ALA 407 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1up4 h ALA 407 Cb 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1up4 h ALA 407 CO 0.01 0.44 0.00 0.09 0.00 0.00 0.00 179.25 179.79 1up4 n ASN 408 N -4.39 5.44 0.22 0.00 3.02 -0.42 -4.70 115.26 114.43 1up4 n ASN 408 Ca 0.05 -2.84 0.10 0.00 -0.03 0.00 0.00 54.58 51.86 1up4 n ASN 408 Cb 0.10 -0.67 0.65 0.00 -0.61 0.00 0.00 39.78 39.26 1up4 n ASN 408 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1up4 h ARG 409 N 3.83 0.00 0.00 3.52 0.11 -1.10 0.19 114.38 120.93 1up4 h ARG 409 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1up4 h ARG 409 Cb 1.87 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.95 1up4 h ARG 409 CO 0.45 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.91 1up4 n GLU 410 N -4.50 0.57 -0.01 0.08 1.02 -1.26 -3.96 120.64 112.57 1up4 n GLU 410 Ca -0.01 0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1up4 n GLU 410 Cb 0.18 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 1up4 n GLU 410 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1up4 n TYR 411 N -1.19 0.00 -3.72 -0.32 4.01 0.01 -5.05 117.16 110.88 1up4 n TYR 411 Ca 0.16 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.77 1up4 n TYR 411 Cb 0.19 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 38.99 1up4 n TYR 411 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1up4 s VAL 412 N -2.06 -0.00 -0.16 -0.72 0.11 -0.90 -4.86 120.40 111.81 1up4 s VAL 412 Ca -0.01 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 1up4 s VAL 412 Cb 0.01 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 34.27 1up4 s VAL 412 CO 0.11 0.00 -0.16 -0.75 -3.33 0.00 0.00 175.10 170.96 1up4 s LYS 413 N 0.27 2.54 -0.13 1.54 2.20 -1.26 -4.47 119.74 120.44 1up4 s LYS 413 Ca -0.00 -0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 54.94 1up4 s LYS 413 Cb -0.03 -2.25 -0.02 0.00 -1.51 0.00 0.00 37.83 34.02 1up4 s LYS 413 CO 0.00 -0.21 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.15 1up4 s LEU 414 N 1.37 2.77 0.00 5.43 1.02 -1.26 -4.91 118.68 123.09 1up4 s LEU 414 Ca 0.04 -0.31 0.20 0.00 0.02 0.00 0.00 54.13 54.08 1up4 s LEU 414 Cb -0.13 -1.63 0.16 0.00 0.02 0.00 0.00 46.19 44.61 1up4 s LEU 414 CO -0.10 0.17 1.14 0.61 0.02 0.00 0.00 176.35 178.18