#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 4.97 -0.08 5.15 1.01 -0.62 -0.92 121.20 130.72 1up4 s ILE 3 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 1up4 s ILE 3 Cb 0.00 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1up4 s ILE 3 CO 0.00 0.48 0.19 0.00 0.00 0.00 0.00 174.94 175.61 1up4 s ALA 4 N 0.17 3.86 -0.23 9.38 0.00 0.31 -0.89 121.76 134.36 1up4 s ALA 4 Ca 0.06 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1up4 s ALA 4 Cb -0.12 -2.03 0.05 0.00 0.00 0.00 0.00 23.12 21.03 1up4 s ALA 4 CO 0.00 0.62 -0.09 0.08 0.00 0.00 0.00 175.76 176.37 1up4 s VAL 5 N -1.10 1.76 -0.31 0.00 1.01 0.23 -0.40 120.40 121.59 1up4 s VAL 5 Ca 0.19 -1.27 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 1up4 s VAL 5 Cb -0.13 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1up4 s VAL 5 CO 0.08 0.01 0.31 -0.63 0.00 0.00 0.00 175.10 174.87 1up4 s ILE 6 N 1.31 5.22 0.00 2.22 -1.09 0.87 -1.41 121.20 128.32 1up4 s ILE 6 Ca -0.05 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 1up4 s ILE 6 Cb -0.18 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1up4 s ILE 6 CO -0.07 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 1up4 n GLY 7 N 4.95 0.69 0.37 6.18 0.00 0.21 -1.35 105.19 116.24 1up4 n GLY 7 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 1.17 0.79 -0.02 0.00 -1.21 -1.79 103.07 102.01 1up4 h GLY 8 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1up4 h GLY 8 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.29 1up4 n GLY 9 N -1.43 -0.32 3.76 4.60 0.00 -1.26 -4.69 105.19 105.84 1up4 n GLY 9 Ca 0.16 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.93 6.59 0.00 1.61 0.15 -0.68 -4.79 113.70 114.65 1up4 s SER 10 Ca 0.12 2.79 0.09 0.00 0.70 0.00 0.00 55.95 59.65 1up4 s SER 10 Cb 0.06 -2.64 0.39 0.00 -1.71 0.00 0.00 66.02 62.11 1up4 s SER 10 CO 0.09 -0.70 1.24 -1.54 1.20 0.00 0.00 173.24 173.53 1up4 n SER 11 N 1.32 0.00 0.12 5.45 3.41 -1.26 -1.41 113.62 121.26 1up4 n SER 11 Ca 0.03 0.40 0.06 0.00 -0.26 0.00 0.00 58.87 59.10 1up4 n SER 11 Cb 0.40 -0.44 0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1up4 n SER 11 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1up4 h TYR 12 N 0.00 0.00 -0.92 7.33 0.05 -1.93 -3.40 116.97 118.09 1up4 h TYR 12 Ca 0.00 0.00 0.18 0.00 0.05 0.00 0.00 58.73 58.96 1up4 h TYR 12 Cb 0.13 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 37.70 1up4 h TYR 12 CO 0.00 0.32 -0.26 1.15 -1.05 0.00 0.00 178.16 178.32 1up4 h THR 13 N 0.00 0.06 -0.74 -2.88 2.02 -1.51 0.24 112.91 110.10 1up4 h THR 13 Ca -0.04 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.27 1up4 h THR 13 Cb 1.28 0.06 -0.13 0.00 -1.74 0.00 0.00 68.15 67.62 1up4 h THR 13 CO 0.03 0.00 -0.33 -0.65 0.37 0.00 0.00 175.52 174.95 1up4 h PRO 14 N -0.01 -0.09 -0.61 6.66 0.11 -1.82 0.33 132.00 136.58 1up4 h PRO 14 Ca 0.42 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.47 1up4 h PRO 14 Cb 0.66 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 1up4 h PRO 14 CO -0.95 -0.06 0.13 0.93 -0.21 0.00 0.00 178.00 177.85 1up4 h GLU 15 N -0.09 0.98 -0.36 1.05 4.39 -1.27 -0.51 114.58 118.77 1up4 h GLU 15 Ca 0.29 -0.24 0.07 0.00 0.34 0.00 0.00 59.36 59.82 1up4 h GLU 15 Cb 0.57 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.02 1up4 h GLU 15 CO -0.79 0.91 -0.11 1.25 -1.16 0.00 0.00 179.01 179.11 1up4 h LEU 16 N 0.89 -0.38 -0.96 1.33 5.85 -0.74 -0.05 115.31 121.25 1up4 h LEU 16 Ca 0.19 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1up4 h LEU 16 Cb 0.37 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1up4 h LEU 16 CO 0.00 -0.14 0.27 0.58 -0.34 0.00 0.00 178.44 178.82 1up4 h VAL 17 N -0.02 1.24 -0.55 1.05 2.07 -0.23 0.54 116.25 120.35 1up4 h VAL 17 Ca 0.18 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1up4 h VAL 17 Cb 0.29 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1up4 h VAL 17 CO -0.38 0.30 0.31 0.50 0.02 0.00 0.00 177.57 178.32 1up4 h LYS 18 N 1.00 0.60 -0.01 1.57 3.64 -0.14 0.20 116.57 123.43 1up4 h LYS 18 Ca 0.23 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1up4 h LYS 18 Cb 0.20 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1up4 h LYS 18 CO -0.02 0.40 -0.16 0.78 -2.27 0.00 0.00 179.45 178.18 1up4 h GLY 19 N 0.62 -0.20 1.96 5.01 0.00 0.84 -0.11 103.07 111.19 1up4 h GLY 19 Ca 0.23 0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 1up4 h GLY 19 CO -0.12 -0.15 -0.11 1.41 0.00 0.00 0.00 176.54 177.57 1up4 h LEU 20 N -0.25 0.04 -0.27 3.11 3.38 -0.50 -1.65 115.31 119.17 1up4 h LEU 20 Ca 0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1up4 h LEU 20 Cb 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1up4 h LEU 20 CO -0.16 0.16 0.07 -0.07 0.09 0.00 0.00 178.44 178.53 1up4 h LEU 21 N 0.04 0.41 -1.01 1.67 3.38 0.35 -1.83 115.31 118.32 1up4 h LEU 21 Ca 0.01 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1up4 h LEU 21 Cb 0.23 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1up4 h LEU 21 CO 0.02 0.53 0.66 0.44 0.09 0.00 0.00 178.44 180.17 1up4 h ASP 22 N 0.26 1.09 0.69 -0.43 3.32 -0.12 -2.44 116.42 118.79 1up4 h ASP 22 Ca 0.08 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1up4 h ASP 22 Cb 0.28 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1up4 h ASP 22 CO 0.00 0.74 -0.39 2.30 -1.72 0.00 0.00 179.24 180.17 1up4 n ILE 23 N -4.45 0.07 0.82 0.35 -5.35 -0.91 -3.85 119.36 106.04 1up4 n ILE 23 Ca 0.14 -0.05 0.07 0.00 -0.27 0.00 0.00 62.75 62.64 1up4 n ILE 23 Cb 0.10 0.01 0.39 0.00 -1.74 0.00 0.00 39.64 38.40 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 -1.61 0.00 -0.01 7.28 3.41 -0.69 -1.67 113.62 120.34 1up4 n SER 24 Ca 0.06 -0.40 -0.04 0.00 -0.26 0.00 0.00 58.87 58.22 1up4 n SER 24 Cb 0.35 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.01 0.64 0.03 4.33 1.02 -1.25 -4.37 120.64 120.03 1up4 n GLU 25 Ca 0.10 0.20 0.10 0.00 -0.02 0.00 0.00 57.16 57.53 1up4 n GLU 25 Cb 0.05 -1.75 -0.11 0.00 -0.02 0.00 0.00 31.44 29.61 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 -2.90 0.35 -3.99 1.62 8.00 -0.67 -4.97 116.55 114.00 1up4 n ASP 26 Ca -0.16 0.14 -0.10 0.00 0.71 0.00 0.00 54.79 55.38 1up4 n ASP 26 Cb 0.96 1.31 -0.11 0.00 -0.02 0.00 0.00 41.12 43.25 1up4 n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1up4 s VAL 27 N -3.38 0.18 -0.13 2.53 1.01 -0.69 -5.01 120.40 114.91 1up4 s VAL 27 Ca -0.05 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 1up4 s VAL 27 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 1up4 s VAL 27 CO 0.86 -0.43 0.79 -0.60 0.00 0.00 0.00 175.10 175.72 1up4 s ARG 28 N -1.35 4.36 -0.16 2.72 6.06 -1.26 -4.24 118.95 125.08 1up4 s ARG 28 Ca -0.13 0.98 0.00 0.00 -2.50 0.00 0.00 55.73 54.08 1up4 s ARG 28 Cb -0.09 -3.53 0.03 0.00 0.06 0.00 0.00 34.95 31.42 1up4 s ARG 28 CO -0.01 -0.18 -0.11 0.42 -2.50 0.00 0.00 175.30 172.92 1up4 s ILE 29 N 1.63 1.44 -0.09 4.11 1.01 -1.26 -4.96 121.20 123.08 1up4 s ILE 29 Ca 0.39 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 1up4 s ILE 29 Cb -0.17 -1.45 -0.28 0.00 0.01 0.00 0.00 42.46 40.57 1up4 s ILE 29 CO 0.15 0.32 0.65 0.44 0.00 0.00 0.00 174.94 176.50 1up4 h ASP 30 N 8.06 0.38 -4.22 3.58 3.32 -1.95 -3.44 116.42 122.15 1up4 h ASP 30 Ca -0.32 -0.87 -0.07 0.00 0.02 0.00 0.00 57.03 55.79 1up4 h ASP 30 Cb 1.12 -0.12 -0.21 0.00 0.22 0.00 0.00 39.33 40.33 1up4 h ASP 30 CO 0.48 1.53 0.03 -1.83 -1.72 0.00 0.00 179.24 177.73 1up4 s GLU 31 N -2.45 0.79 -0.18 3.56 -1.05 -1.26 -1.48 118.70 116.62 1up4 s GLU 31 Ca -0.18 0.69 -0.01 0.00 -0.15 0.00 0.00 54.97 55.32 1up4 s GLU 31 Cb 0.03 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1up4 s GLU 31 CO 0.78 -0.14 -0.13 0.08 0.95 0.00 0.00 175.26 176.80 1up4 s VAL 32 N -0.06 2.77 -0.09 1.83 1.01 0.30 -1.59 120.40 124.58 1up4 s VAL 32 Ca -0.03 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1up4 s VAL 32 Cb -0.04 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1up4 s VAL 32 CO 0.03 0.49 -0.12 -0.51 0.00 0.00 0.00 175.10 174.99 1up4 s ILE 33 N 1.10 3.23 0.07 2.22 2.07 -0.06 -1.16 121.20 128.66 1up4 s ILE 33 Ca 0.00 -0.63 0.05 0.00 -1.41 0.00 0.00 60.65 58.66 1up4 s ILE 33 Cb -0.14 -2.32 -0.04 0.00 0.13 0.00 0.00 42.46 40.08 1up4 s ILE 33 CO -0.04 0.56 -0.02 -0.36 -1.91 0.00 0.00 174.94 173.17 1up4 s PHE 34 N -0.20 2.95 -0.01 3.50 0.08 0.12 -0.60 117.98 123.82 1up4 s PHE 34 Ca 0.01 -0.04 -0.02 0.00 0.12 0.00 0.00 56.93 57.00 1up4 s PHE 34 Cb -0.13 -1.54 -0.00 0.00 -0.57 0.00 0.00 43.02 40.77 1up4 s PHE 34 CO 0.03 0.46 0.04 -0.47 -0.10 0.00 0.00 175.22 175.18 1up4 s TYR 35 N -1.24 0.03 -0.15 0.36 5.04 -0.50 -1.37 117.35 119.53 1up4 s TYR 35 Ca 0.23 -0.06 -0.23 0.00 -2.44 0.00 0.00 57.07 54.58 1up4 s TYR 35 Cb -0.12 -0.04 0.06 0.00 0.35 0.00 0.00 41.96 42.21 1up4 s TYR 35 CO 0.15 -0.10 0.59 0.34 -1.34 0.00 0.00 175.55 175.19 1up4 s ASP 36 N -0.50 -0.58 0.19 4.32 -1.08 -1.26 0.64 116.67 118.39 1up4 s ASP 36 Ca -0.06 0.93 0.22 0.00 -0.52 0.00 0.00 52.55 53.12 1up4 s ASP 36 Cb -0.04 0.92 0.89 0.00 -1.46 0.00 0.00 42.92 43.23 1up4 s ASP 36 CO -0.00 -0.35 1.67 2.30 0.52 0.00 0.00 175.17 179.31 1up4 n ILE 37 N 2.04 0.81 -3.61 4.11 -5.35 -1.26 -4.11 119.36 111.99 1up4 n ILE 37 Ca -0.16 0.17 -0.38 0.00 -0.27 0.00 0.00 62.75 62.11 1up4 n ILE 37 Cb 0.56 -1.04 -0.06 0.00 -1.74 0.00 0.00 39.64 37.36 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 -3.95 5.99 0.27 7.28 -1.08 -1.26 -4.95 116.67 118.97 1up4 s ASP 38 Ca 0.06 -3.44 -0.01 0.00 -0.52 0.00 0.00 52.55 48.64 1up4 s ASP 38 Cb 0.10 -1.95 0.53 0.00 -1.46 0.00 0.00 42.92 40.14 1up4 s ASP 38 CO 0.39 -0.26 1.78 1.05 0.52 0.00 0.00 175.17 178.65 1up4 h GLU 39 N 6.43 0.69 -0.31 4.34 4.11 -2.01 -2.22 114.58 125.62 1up4 h GLU 39 Ca 0.12 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.42 1up4 h GLU 39 Cb 0.87 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1up4 h GLU 39 CO 0.83 0.46 -0.14 0.93 0.07 0.00 0.00 179.01 181.15 1up4 h GLU 40 N 0.71 0.65 -0.11 1.06 3.07 -1.95 -1.47 114.58 116.54 1up4 h GLU 40 Ca 0.47 -0.28 0.04 0.00 -0.50 0.00 0.00 59.36 59.08 1up4 h GLU 40 Cb 0.60 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.45 1up4 h GLU 40 CO -0.33 0.87 -0.13 0.87 -1.40 0.00 0.00 179.01 178.88 1up4 h LYS 41 N 0.41 -0.17 -0.79 2.33 1.57 -1.86 -3.07 116.57 115.00 1up4 h LYS 41 Ca 0.07 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1up4 h LYS 41 Cb 0.67 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 1up4 h LYS 41 CO 0.04 -0.11 0.36 0.37 -0.57 0.00 0.00 179.45 179.54 1up4 h GLN 42 N -0.17 1.15 -0.97 3.15 4.15 -1.28 -2.74 115.11 118.40 1up4 h GLN 42 Ca 0.08 -0.18 0.15 0.00 0.77 0.00 0.00 58.65 59.47 1up4 h GLN 42 Cb 0.29 -0.20 -0.09 0.00 0.21 0.00 0.00 27.48 27.69 1up4 h GLN 42 CO -0.21 0.91 0.58 -0.22 -1.93 0.00 0.00 178.83 177.96 1up4 h LYS 43 N 1.12 0.82 -0.18 1.69 3.64 -1.17 0.38 116.57 122.88 1up4 h LYS 43 Ca 0.27 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1up4 h LYS 43 Cb 0.15 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1up4 h LYS 43 CO -0.03 0.54 -0.14 0.82 -2.27 0.00 0.00 179.45 178.37 1up4 h ILE 44 N 0.85 1.33 -0.18 2.00 5.03 -1.47 -1.28 117.51 123.78 1up4 h ILE 44 Ca 0.51 -1.26 -0.04 0.00 -0.12 0.00 0.00 64.86 63.95 1up4 h ILE 44 Cb 0.64 1.77 -0.01 0.00 -3.03 0.00 0.00 36.82 36.19 1up4 h ILE 44 CO -0.32 0.38 -0.02 0.58 -0.68 0.00 0.00 178.15 178.09 1up4 h VAL 45 N 0.07 1.27 -0.02 1.67 2.07 -1.23 -2.75 116.25 117.32 1up4 h VAL 45 Ca 0.03 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 1up4 h VAL 45 Cb 0.66 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1up4 h VAL 45 CO 0.04 0.28 -0.41 0.58 0.02 0.00 0.00 177.57 178.08 1up4 h VAL 46 N 0.07 1.30 -0.34 2.57 2.07 -0.30 -0.26 116.25 121.36 1up4 h VAL 46 Ca 0.05 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1up4 h VAL 46 Cb 0.44 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1up4 h VAL 46 CO 0.01 0.41 0.09 0.44 0.02 0.00 0.00 177.57 178.55 1up4 h ASP 47 N 0.04 0.45 -0.18 0.57 3.32 -1.18 -1.12 116.42 118.32 1up4 h ASP 47 Ca 0.00 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1up4 h ASP 47 Cb 0.75 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1up4 h ASP 47 CO 0.06 0.45 -0.11 0.15 -1.72 0.00 0.00 179.24 178.07 1up4 h PHE 48 N 0.49 0.47 -0.60 4.55 3.57 -0.94 -3.17 116.94 121.30 1up4 h PHE 48 Ca 0.12 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1up4 h PHE 48 Cb 0.18 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 1up4 h PHE 48 CO 0.01 0.72 0.28 0.28 -2.23 0.00 0.00 178.31 177.37 1up4 h VAL 49 N 0.08 0.87 -0.69 1.41 2.07 -0.71 -1.80 116.25 117.48 1up4 h VAL 49 Ca 0.04 -0.18 0.11 0.00 0.82 0.00 0.00 66.70 67.49 1up4 h VAL 49 Cb 0.61 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1up4 h VAL 49 CO 0.03 0.09 0.46 0.11 0.02 0.00 0.00 177.57 178.28 1up4 h LYS 50 N 0.51 0.51 -0.07 1.57 1.57 -1.20 0.22 116.57 119.68 1up4 h LYS 50 Ca 0.29 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.86 1up4 h LYS 50 Cb 0.27 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1up4 h LYS 50 CO -0.23 0.33 -0.70 0.00 -0.57 0.00 0.00 179.45 178.28 1up4 h ARG 51 N 0.52 0.33 0.09 3.15 3.08 -1.32 -2.67 114.38 117.56 1up4 h ARG 51 Ca 0.32 -0.26 -0.28 0.00 0.07 0.00 0.00 59.98 59.82 1up4 h ARG 51 Cb 0.56 0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.68 1up4 h ARG 51 CO -0.11 0.90 -1.18 -0.07 -1.07 0.00 0.00 179.97 178.45 1up4 h LEU 52 N 0.23 0.78 -0.40 3.04 3.38 -0.80 -3.34 115.31 118.20 1up4 h LEU 52 Ca -0.02 -0.71 -0.04 0.00 0.09 0.00 0.00 57.88 57.20 1up4 h LEU 52 Cb 1.26 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1up4 h LEU 52 CO 0.12 1.52 0.11 0.58 0.09 0.00 0.00 178.44 180.85 1up4 h VAL 53 N 0.26 1.22 -6.34 1.22 2.07 -0.64 -3.48 116.25 110.56 1up4 h VAL 53 Ca -0.16 -0.75 -0.47 0.00 0.82 0.00 0.00 66.70 66.13 1up4 h VAL 53 Cb 1.85 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1up4 h VAL 53 CO 0.22 0.26 -0.86 0.29 0.02 0.00 0.00 177.57 177.50 1up4 n LYS 54 N -4.58 -3.95 -1.47 1.57 5.02 -1.01 -2.67 118.16 111.08 1up4 n LYS 54 Ca -0.00 0.49 -0.16 0.00 -2.02 0.00 0.00 58.31 56.62 1up4 n LYS 54 Cb 0.19 -4.80 -0.07 0.00 -0.02 0.00 0.00 35.03 30.33 1up4 n LYS 54 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1up4 n ASP 55 N -3.00 -4.91 0.15 4.39 8.00 -1.26 -4.86 116.55 115.05 1up4 n ASP 55 Ca -0.29 0.39 0.02 0.00 0.71 0.00 0.00 54.79 55.62 1up4 n ASP 55 Cb 0.68 -3.81 0.15 0.00 -0.02 0.00 0.00 41.12 38.11 1up4 n ASP 55 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1up4 h ARG 56 N 0.00 0.00 -4.16 -1.24 3.08 -1.90 -3.45 114.38 106.71 1up4 h ARG 56 Ca -0.33 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.55 1up4 h ARG 56 Cb 1.04 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.97 1up4 h ARG 56 CO 0.48 0.52 -0.36 -0.59 -1.07 0.00 0.00 179.97 178.94 1up4 s PHE 57 N -3.25 0.84 0.03 3.04 -0.12 -1.26 -4.98 117.98 112.27 1up4 s PHE 57 Ca 0.02 -1.11 -0.28 0.00 -0.05 0.00 0.00 56.93 55.51 1up4 s PHE 57 Cb 0.10 -0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 1up4 s PHE 57 CO 0.73 -0.84 0.89 0.15 -0.05 0.00 0.00 175.22 176.10 1up4 s LYS 58 N -3.97 4.56 -0.29 1.99 1.02 -0.55 -4.93 119.74 117.56 1up4 s LYS 58 Ca 0.31 1.27 -0.09 0.00 0.02 0.00 0.00 55.97 57.49 1up4 s LYS 58 Cb 0.03 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1up4 s LYS 58 CO 0.12 0.10 0.13 0.08 -0.92 0.00 0.00 175.35 174.86 1up4 s VAL 59 N 0.51 4.46 0.14 3.17 1.01 -1.26 -0.54 120.40 127.89 1up4 s VAL 59 Ca 0.46 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1up4 s VAL 59 Cb -0.21 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1up4 s VAL 59 CO 0.26 0.13 -0.17 -0.76 0.00 0.00 0.00 175.10 174.56 1up4 s LEU 60 N 1.60 2.40 -0.08 3.92 1.43 -0.31 -5.00 118.68 122.64 1up4 s LEU 60 Ca 0.05 -0.81 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1up4 s LEU 60 Cb -0.17 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.31 1up4 s LEU 60 CO 0.05 -0.06 -0.17 -0.63 0.23 0.00 0.00 176.35 175.78 1up4 s ILE 61 N -1.91 2.81 -0.07 -0.59 1.01 -1.26 0.13 121.20 121.31 1up4 s ILE 61 Ca 0.11 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 1up4 s ILE 61 Cb -0.06 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1up4 s ILE 61 CO 0.05 0.56 -0.03 -0.55 0.00 0.00 0.00 174.94 174.97 1up4 s SER 62 N -0.20 4.93 0.32 3.58 0.15 -0.47 -4.90 113.70 117.11 1up4 s SER 62 Ca -0.01 0.05 0.14 0.00 0.70 0.00 0.00 55.95 56.84 1up4 s SER 62 Cb -0.13 -1.31 0.48 0.00 -1.71 0.00 0.00 66.02 63.35 1up4 s SER 62 CO 0.03 0.36 1.65 0.44 1.20 0.00 0.00 173.24 176.93 1up4 h ASP 63 N 5.15 0.00 -2.81 5.45 3.32 -1.96 -3.43 116.42 122.15 1up4 h ASP 63 Ca -0.50 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.96 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 0.53 0.51 -0.78 0.42 -1.72 0.00 0.00 179.24 178.21 1up4 s THR 64 N -3.56 2.26 0.10 0.35 -4.23 -1.26 -4.99 115.64 104.31 1up4 s THR 64 Ca -0.00 -2.21 -0.20 0.00 -1.18 0.00 0.00 61.69 58.10 1up4 s THR 64 Cb 0.12 -2.15 -0.08 0.00 1.34 0.00 0.00 72.50 71.72 1up4 s THR 64 CO 0.73 -0.33 1.64 0.15 -0.54 0.00 0.00 174.62 176.27 1up4 h PHE 65 N 2.71 0.32 -0.49 3.99 3.57 -1.99 -2.94 116.94 122.12 1up4 h PHE 65 Ca -0.42 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.13 1up4 h PHE 65 Cb 1.23 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.82 1up4 h PHE 65 CO 0.75 0.35 0.16 1.49 -2.23 0.00 0.00 178.31 178.83 1up4 h GLU 66 N 0.20 0.32 -0.56 1.11 4.81 -1.97 -1.57 114.58 116.92 1up4 h GLU 66 Ca 0.07 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1up4 h GLU 66 Cb 0.16 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1up4 h GLU 66 CO -0.01 0.21 0.38 0.78 -0.73 0.00 0.00 179.01 179.64 1up4 h GLY 67 N 0.33 0.44 0.56 1.92 0.00 -1.96 -0.65 103.07 103.71 1up4 h GLY 67 Ca 0.24 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1up4 h GLY 67 CO -0.25 0.08 -0.17 0.00 0.00 0.00 0.00 176.54 176.19 1up4 h ALA 68 N 1.72 0.09 0.00 3.60 0.00 -1.12 -3.37 119.26 120.18 1up4 h ALA 68 Ca 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1up4 h ALA 68 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1up4 h ALA 68 CO -0.06 0.03 -0.76 1.33 0.00 0.00 0.00 179.25 179.79 1up4 n VAL 69 N -4.58 0.24 -0.28 0.00 0.24 -0.98 -4.43 118.33 108.54 1up4 n VAL 69 Ca -0.08 -0.23 0.09 0.00 -2.04 0.00 0.00 64.34 62.08 1up4 n VAL 69 Cb 0.41 0.05 0.24 0.00 -1.47 0.00 0.00 33.84 33.08 1up4 n VAL 69 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1up4 h VAL 70 N 0.00 0.51 -0.25 3.34 3.04 -1.29 -2.02 116.25 119.59 1up4 h VAL 70 Ca 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1up4 h VAL 70 Cb 0.71 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 1up4 h VAL 70 CO 0.00 0.07 0.00 0.47 -1.01 0.00 0.00 177.57 177.10 1up4 n ASP 71 N -5.08 3.48 -4.83 3.17 8.00 -1.26 -3.92 116.55 116.12 1up4 n ASP 71 Ca 0.18 -2.78 -0.37 0.00 0.71 0.00 0.00 54.79 52.54 1up4 n ASP 71 Cb 0.55 -0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.39 3.56 -0.05 2.24 0.00 -0.76 -4.39 121.76 119.97 1up4 s ALA 72 Ca 0.36 -0.03 0.11 0.00 0.00 0.00 0.00 51.96 52.40 1up4 s ALA 72 Cb 0.28 -2.61 -0.23 0.00 0.00 0.00 0.00 23.12 20.56 1up4 s ALA 72 CO 0.09 0.42 0.64 1.17 0.00 0.00 0.00 175.76 178.08 1up4 n LYS 73 N 1.10 0.64 -4.39 0.00 4.81 -0.10 -4.34 118.16 115.89 1up4 n LYS 73 Ca -0.07 0.30 -0.20 0.00 -0.87 0.00 0.00 58.31 57.47 1up4 n LYS 73 Cb 0.51 -1.79 -0.15 0.00 0.02 0.00 0.00 35.03 33.62 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 -2.59 0.91 -0.13 5.64 2.02 -1.23 -1.74 117.35 120.23 1up4 s TYR 74 Ca -0.06 -0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.44 1up4 s TYR 74 Cb 0.08 -0.63 0.02 0.00 -0.40 0.00 0.00 41.96 41.03 1up4 s TYR 74 CO 0.82 -0.07 -0.14 0.08 -1.57 0.00 0.00 175.55 174.67 1up4 s VAL 75 N 0.06 1.51 -0.29 0.71 1.01 -0.11 -0.53 120.40 122.77 1up4 s VAL 75 Ca -0.01 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1up4 s VAL 75 Cb -0.07 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1up4 s VAL 75 CO 0.00 0.45 0.18 -0.63 0.00 0.00 0.00 175.10 175.09 1up4 s ILE 76 N 1.26 5.10 -0.35 2.22 1.01 0.47 -0.69 121.20 130.22 1up4 s ILE 76 Ca -0.01 0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 1up4 s ILE 76 Cb -0.14 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 38.88 1up4 s ILE 76 CO -0.06 0.22 0.77 -0.36 0.00 0.00 0.00 174.94 175.50 1up4 s PHE 77 N 1.72 3.13 0.00 3.97 0.40 -0.28 -0.09 117.98 126.84 1up4 s PHE 77 Ca 0.07 0.58 0.19 0.00 -0.60 0.00 0.00 56.93 57.17 1up4 s PHE 77 Cb -0.16 -3.34 0.31 0.00 0.51 0.00 0.00 43.02 40.35 1up4 s PHE 77 CO 0.09 -0.69 1.12 0.00 0.70 0.00 0.00 175.22 176.44 1up4 n GLN 78 N 6.34 0.00 -2.81 0.44 10.64 -0.45 -0.02 117.38 131.51 1up4 n GLN 78 Ca 0.03 -1.71 -0.26 0.00 -1.83 0.00 0.00 57.00 53.22 1up4 n GLN 78 Cb 0.48 0.07 0.00 0.00 -0.86 0.00 0.00 30.24 29.94 1up4 n GLN 78 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 1up4 s PHE 79 N 0.00 3.46 -0.45 2.61 -0.71 -1.15 -4.73 117.98 117.00 1up4 s PHE 79 Ca 0.25 0.60 0.03 0.00 -1.04 0.00 0.00 56.93 56.77 1up4 s PHE 79 Cb 0.28 -2.28 0.13 0.00 -1.21 0.00 0.00 43.02 39.94 1up4 s PHE 79 CO -0.12 -0.28 0.21 0.50 -1.34 0.00 0.00 175.22 174.19 1up4 s ARG 80 N -4.66 1.55 -0.09 1.99 3.52 -1.26 -4.52 118.95 115.48 1up4 s ARG 80 Ca 0.47 -2.17 -0.35 0.00 -0.13 0.00 0.00 55.73 53.55 1up4 s ARG 80 Cb -0.10 -2.82 -0.13 0.00 -1.56 0.00 0.00 34.95 30.34 1up4 s ARG 80 CO 0.42 -1.10 1.81 -2.30 -0.81 0.00 0.00 175.30 173.32 1up4 n PRO 81 N 3.56 1.94 -0.29 5.12 -0.02 -1.26 -0.65 135.00 143.41 1up4 n PRO 81 Ca 0.06 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1up4 n PRO 81 Cb 0.35 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1up4 n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1up4 n GLY 82 N 4.20 1.30 7.00 -1.23 0.00 -1.26 -4.84 105.19 110.36 1up4 n GLY 82 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.85 0.15 -0.02 0.00 0.18 -1.65 105.19 102.69 1up4 n GLY 83 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 -1.79 0.99 3.38 -1.92 -2.38 115.31 113.59 1up4 h LEU 84 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1up4 h LEU 84 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1up4 h LEU 84 CO 0.00 0.58 0.12 0.07 0.09 0.00 0.00 178.44 179.29 1up4 h LYS 85 N 0.00 0.26 -0.26 1.13 5.09 -1.96 0.15 116.57 120.97 1up4 h LYS 85 Ca -0.01 -0.02 -0.06 0.00 0.09 0.00 0.00 60.65 60.66 1up4 h LYS 85 Cb 1.09 -0.06 -0.01 0.00 0.10 0.00 0.00 32.23 33.36 1up4 h LYS 85 CO 0.07 0.18 -0.07 0.78 -2.09 0.00 0.00 179.45 178.32 1up4 h GLY 86 N 0.29 0.56 1.30 0.07 0.00 -0.81 -2.32 103.07 102.17 1up4 h GLY 86 Ca 0.07 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 1up4 h GLY 86 CO -0.01 0.43 0.17 -0.09 0.00 0.00 0.00 176.54 177.03 1up4 h ARG 87 N 0.26 0.88 -0.29 4.80 2.43 -1.08 -0.93 114.38 120.45 1up4 h ARG 87 Ca 0.07 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1up4 h ARG 87 Cb 0.55 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1up4 h ARG 87 CO 0.03 0.77 0.05 0.93 -1.51 0.00 0.00 179.97 180.24 1up4 h GLU 88 N 0.86 0.15 -0.47 0.20 5.08 -0.59 -0.01 114.58 119.79 1up4 h GLU 88 Ca 0.19 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1up4 h GLU 88 Cb 0.27 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1up4 h GLU 88 CO -0.01 0.10 0.25 -0.91 -1.00 0.00 0.00 179.01 177.45 1up4 h ASN 89 N 0.15 0.38 -0.64 1.42 2.35 -1.03 0.16 115.58 118.38 1up4 h ASN 89 Ca 0.14 0.02 0.10 0.00 -0.55 0.00 0.00 56.30 56.01 1up4 h ASN 89 Cb 0.15 -0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.39 1up4 h ASN 89 CO -0.19 0.27 0.24 0.44 -1.65 0.00 0.00 177.43 176.54 1up4 h ASP 90 N 0.50 0.24 0.35 5.81 3.32 -0.59 -0.80 116.42 125.25 1up4 h ASP 90 Ca 0.20 0.08 -0.27 0.00 0.02 0.00 0.00 57.03 57.07 1up4 h ASP 90 Cb 0.08 0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.71 1up4 h ASP 90 CO -0.13 0.13 -1.15 -0.33 -1.72 0.00 0.00 179.24 176.05 1up4 h GLU 91 N 0.42 0.44 0.13 3.56 5.08 -0.78 -3.36 114.58 120.08 1up4 h GLU 91 Ca 0.33 -0.59 -0.21 0.00 -1.00 0.00 0.00 59.36 57.88 1up4 h GLU 91 Cb 0.42 0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.88 1up4 h GLU 91 CO -0.32 1.24 -0.97 0.78 -1.00 0.00 0.00 179.01 178.73 1up4 h GLY 92 N 1.00 0.32 0.90 -3.84 0.00 -0.37 -3.38 103.07 97.70 1up4 h GLY 92 Ca -0.14 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.37 1up4 h GLY 92 CO 0.20 0.72 -0.03 -2.22 0.00 0.00 0.00 176.54 175.22 1up4 h ILE 93 N -0.36 1.01 0.00 2.60 2.04 -1.35 -2.92 117.51 118.53 1up4 h ILE 93 Ca -0.19 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1up4 h ILE 93 Cb 1.67 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.92 1up4 h ILE 93 CO 0.12 0.06 -0.01 -0.65 0.00 0.00 0.00 178.15 177.67 1up4 h PRO 94 N -0.18 0.00 -0.91 2.37 0.11 -1.77 -2.80 132.00 128.82 1up4 h PRO 94 Ca -0.01 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.18 1up4 h PRO 94 Cb 0.16 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.21 1up4 h PRO 94 CO 0.01 0.01 0.59 -0.07 -0.21 0.00 0.00 178.00 178.33 1up4 h LEU 95 N 0.00 0.88 -2.40 2.35 4.07 -1.54 -1.56 115.31 117.11 1up4 h LEU 95 Ca -0.00 0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.00 1up4 h LEU 95 Cb 0.06 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 1up4 h LEU 95 CO 0.00 0.55 0.15 0.11 -1.08 0.00 0.00 178.44 178.17 1up4 h LYS 96 N 0.99 0.00 -0.28 1.13 1.57 -1.65 -2.06 116.57 116.26 1up4 h LYS 96 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1up4 h LYS 96 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1up4 h LYS 96 CO -0.16 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.38 1up4 n TYR 97 N -3.49 0.36 -1.20 -1.35 4.02 -0.65 -4.93 117.16 109.93 1up4 n TYR 97 Ca -0.01 -0.23 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 1up4 n TYR 97 Cb 0.25 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 1up4 n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1up4 n GLY 98 N 1.16 0.39 3.72 2.72 0.00 -0.77 -5.03 105.19 107.37 1up4 n GLY 98 Ca 0.15 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 3.57 0.11 0.99 1.02 -0.84 -5.03 118.68 118.51 1up4 s LEU 99 Ca 0.00 -0.14 -0.31 0.00 0.02 0.00 0.00 54.13 53.70 1up4 s LEU 99 Cb 0.00 -2.28 -0.09 0.00 0.02 0.00 0.00 46.19 43.84 1up4 s LEU 99 CO 0.00 0.16 1.67 -0.63 0.02 0.00 0.00 176.35 177.57 1up4 s ILE 100 N -1.37 2.80 -0.34 -0.59 -1.09 -1.26 -3.46 121.20 115.90 1up4 s ILE 100 Ca 0.27 0.38 -0.09 0.00 -2.23 0.00 0.00 60.65 58.98 1up4 s ILE 100 Cb -0.12 -3.24 0.02 0.00 -1.58 0.00 0.00 42.46 37.54 1up4 s ILE 100 CO 0.20 0.01 0.15 -0.83 -1.23 0.00 0.00 174.94 173.23 1up4 s GLY 101 N 2.11 1.87 -0.13 6.18 0.00 -1.26 -4.40 107.32 111.68 1up4 s GLY 101 Ca 0.74 -1.60 -0.11 0.00 0.00 0.00 0.00 44.72 43.76 1up4 s GLY 101 CO 0.33 0.76 0.34 1.62 0.00 0.00 0.00 173.10 176.14 1up4 s GLN 102 N 1.52 0.38 0.31 2.90 -0.44 -1.26 -4.72 119.66 118.35 1up4 s GLN 102 Ca 0.02 0.51 0.04 0.00 -2.50 0.00 0.00 55.36 53.42 1up4 s GLN 102 Cb -0.18 0.14 0.81 0.00 -1.64 0.00 0.00 33.01 32.14 1up4 s GLN 102 CO 0.05 -0.07 1.59 1.49 0.50 0.00 0.00 175.29 178.85 1up4 h GLU 103 N 5.89 0.04 0.00 1.67 4.81 -1.88 -3.20 114.58 121.92 1up4 h GLU 103 Ca -0.29 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1up4 h GLU 103 Cb 1.18 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1up4 h GLU 103 CO 0.30 0.03 0.00 0.25 -0.73 0.00 0.00 179.01 178.86 1up4 n THR 104 N -5.42 0.00 -5.09 0.32 -2.24 -1.26 -3.90 114.28 96.69 1up4 n THR 104 Ca 0.24 -0.33 -0.32 0.00 -2.27 0.00 0.00 64.05 61.37 1up4 n THR 104 Cb 0.80 1.27 -0.16 0.00 -2.10 0.00 0.00 70.33 70.14 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 -0.14 2.38 0.00 4.28 2.01 -1.21 -4.40 115.64 118.56 1up4 s THR 105 Ca 0.00 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1up4 s THR 105 Cb 0.00 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.58 1up4 s THR 105 CO 0.00 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 1up4 n GLY 106 N 3.41 -0.32 0.38 4.40 0.00 -1.26 -3.78 105.19 108.02 1up4 n GLY 106 Ca -0.18 -1.05 0.16 0.00 0.00 0.00 0.00 46.02 44.94 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 0.79 -0.68 1.61 2.07 -1.80 0.47 116.25 118.70 1up4 h VAL 107 Ca 0.00 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1up4 h VAL 107 Cb 0.00 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1up4 h VAL 107 CO 0.00 0.06 0.40 1.23 0.02 0.00 0.00 177.57 179.28 1up4 h GLY 108 N 0.34 0.99 2.00 2.17 0.00 -1.70 -1.83 103.07 105.05 1up4 h GLY 108 Ca 0.35 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 1up4 h GLY 108 CO -0.09 0.20 -0.44 -1.33 0.00 0.00 0.00 176.54 174.88 1up4 h GLY 109 N 0.75 0.00 0.86 4.60 0.00 -0.95 -2.20 103.07 106.12 1up4 h GLY 109 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1up4 h GLY 109 CO -0.16 0.00 -0.06 -2.75 0.00 0.00 0.00 176.54 173.58 1up4 h PHE 110 N 0.00 -0.15 -0.65 5.60 3.57 -0.97 0.33 116.94 124.66 1up4 h PHE 110 Ca -0.00 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 1up4 h PHE 110 Cb 0.84 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 1up4 h PHE 110 CO 0.00 0.03 0.10 0.66 -2.23 0.00 0.00 178.31 176.87 1up4 h SER 111 N -0.31 1.03 -0.84 0.41 4.64 -1.39 -1.72 113.55 115.37 1up4 h SER 111 Ca -0.02 -0.26 0.06 0.00 -0.47 0.00 0.00 61.79 61.10 1up4 h SER 111 Cb 0.25 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.01 1up4 h SER 111 CO 0.03 1.03 0.52 0.00 -0.87 0.00 0.00 176.83 177.54 1up4 h ALA 112 N 1.04 1.15 -0.29 5.18 0.00 -1.29 -1.44 119.26 123.61 1up4 h ALA 112 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1up4 h ALA 112 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1up4 h ALA 112 CO 0.01 0.27 0.02 0.00 0.00 0.00 0.00 179.25 179.54 1up4 h ALA 113 N 1.39 0.38 -0.17 0.00 0.00 -0.56 -2.22 119.26 118.09 1up4 h ALA 113 Ca 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1up4 h ALA 113 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1up4 h ALA 113 CO -0.17 0.11 0.02 -0.07 0.00 0.00 0.00 179.25 179.14 1up4 h LEU 114 N 0.29 0.21 -1.05 0.00 3.38 -0.99 -0.14 115.31 117.01 1up4 h LEU 114 Ca 0.08 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1up4 h LEU 114 Cb 0.40 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1up4 h LEU 114 CO 0.01 0.24 -0.40 -0.09 0.09 0.00 0.00 178.44 178.29 1up4 h ARG 115 N 0.24 0.14 0.12 1.13 2.43 -1.05 -3.33 114.38 114.06 1up4 h ARG 115 Ca 0.06 -0.06 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 1up4 h ARG 115 Cb 0.13 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1up4 h ARG 115 CO -0.00 0.53 -1.27 0.00 -1.51 0.00 0.00 179.97 177.71 1up4 h ALA 116 N 1.47 0.10 -0.60 2.80 0.00 -0.46 -3.40 119.26 119.16 1up4 h ALA 116 Ca 0.01 -0.99 0.12 0.00 0.00 0.00 0.00 54.91 54.05 1up4 h ALA 116 Cb 0.77 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 1up4 h ALA 116 CO 0.06 0.71 -0.17 0.74 0.00 0.00 0.00 179.25 180.59 1up4 h PHE 117 N -0.31 -0.38 -0.57 0.00 0.04 -1.29 -0.20 116.94 114.22 1up4 h PHE 117 Ca -0.26 0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.61 1up4 h PHE 117 Cb 1.74 0.26 -0.05 0.00 2.20 0.00 0.00 35.95 40.11 1up4 h PHE 117 CO 0.14 -0.28 0.31 -1.35 -0.60 0.00 0.00 178.31 176.53 1up4 h PRO 118 N -0.02 0.57 -0.23 1.51 0.11 -1.77 0.70 132.00 132.86 1up4 h PRO 118 Ca 0.29 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.31 1up4 h PRO 118 Cb 0.46 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1up4 h PRO 118 CO -0.63 0.38 -0.07 0.82 -0.21 0.00 0.00 178.00 178.28 1up4 h ILE 119 N 0.59 1.29 -0.09 4.15 2.04 -1.36 -2.36 117.51 121.77 1up4 h ILE 119 Ca 0.25 -1.09 -0.12 0.00 1.00 0.00 0.00 64.86 64.90 1up4 h ILE 119 Cb 0.14 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1up4 h ILE 119 CO -0.16 0.34 -0.48 -0.37 0.00 0.00 0.00 178.15 177.47 1up4 h VAL 120 N 0.19 1.34 0.10 1.67 -1.51 -0.74 -0.49 116.25 116.81 1up4 h VAL 120 Ca 0.06 -1.70 0.02 0.00 -1.23 0.00 0.00 66.70 63.84 1up4 h VAL 120 Cb 0.54 1.81 -0.03 0.00 -2.13 0.00 0.00 31.29 31.48 1up4 h VAL 120 CO 0.03 0.50 -0.24 -0.08 -1.23 0.00 0.00 177.57 176.55 1up4 h GLU 121 N 0.19 -0.42 -0.23 5.19 4.81 -0.81 0.23 114.58 123.54 1up4 h GLU 121 Ca 0.01 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1up4 h GLU 121 Cb 0.93 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 1up4 h GLU 121 CO 0.07 -0.28 -0.06 0.93 -0.73 0.00 0.00 179.01 178.95 1up4 h GLU 122 N -0.43 -0.00 -0.29 1.92 5.08 -1.20 -1.74 114.58 117.91 1up4 h GLU 122 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1up4 h GLU 122 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1up4 h GLU 122 CO -0.14 -0.00 -0.28 1.88 -1.00 0.00 0.00 179.01 179.46 1up4 h TYR 123 N -0.00 0.85 -0.64 4.33 0.05 -0.90 -2.37 116.97 118.29 1up4 h TYR 123 Ca 0.11 -0.25 -0.04 0.00 0.05 0.00 0.00 58.73 58.60 1up4 h TYR 123 Cb 0.17 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 1up4 h TYR 123 CO -0.24 1.00 0.26 0.28 -1.05 0.00 0.00 178.16 178.41 1up4 h VAL 124 N 0.45 1.23 -0.53 -2.88 2.07 -0.53 -1.60 116.25 114.47 1up4 h VAL 124 Ca 0.05 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1up4 h VAL 124 Cb 0.85 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1up4 h VAL 124 CO 0.07 0.29 0.28 -0.78 0.02 0.00 0.00 177.57 177.45 1up4 h ASP 125 N 0.90 0.43 -0.28 0.57 3.58 -1.22 -0.68 116.42 119.72 1up4 h ASP 125 Ca 0.21 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.56 1up4 h ASP 125 Cb 0.20 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1up4 h ASP 125 CO -0.02 0.30 -0.27 0.74 -2.88 0.00 0.00 179.24 177.10 1up4 h THR 126 N 0.56 1.28 -0.43 2.25 2.02 -1.19 -1.43 112.91 115.96 1up4 h THR 126 Ca 0.23 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 1up4 h THR 126 Cb 0.10 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1up4 h THR 126 CO -0.14 0.47 0.21 0.58 0.37 0.00 0.00 175.52 177.00 1up4 h VAL 127 N 0.67 1.18 -0.08 3.16 2.07 -0.98 -2.59 116.25 119.68 1up4 h VAL 127 Ca 0.08 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 1up4 h VAL 127 Cb 0.80 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1up4 h VAL 127 CO 0.07 0.19 -0.26 -0.09 0.02 0.00 0.00 177.57 177.50 1up4 h ARG 128 N 0.55 0.13 -0.00 1.57 2.43 -0.92 -0.78 114.38 117.36 1up4 h ARG 128 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1up4 h ARG 128 Cb 0.12 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1up4 h ARG 128 CO -0.02 0.39 -0.12 1.63 -1.51 0.00 0.00 179.97 180.34 1up4 n LYS 129 N -4.19 0.77 0.00 0.20 5.02 -0.56 -4.54 118.16 114.87 1up4 n LYS 129 Ca -0.01 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1up4 n LYS 129 Cb 0.34 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.85 0.00 0.18 -0.18 -2.24 -0.75 -4.98 114.28 105.45 1up4 n THR 130 Ca 0.15 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.04 1up4 n THR 130 Cb 0.28 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.63 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 -6.22 3.42 4.64 -1.55 -3.47 113.55 110.37 1up4 h SER 131 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1up4 h SER 131 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1up4 h SER 131 CO 0.00 0.05 -0.74 0.59 -0.87 0.00 0.00 176.83 175.86 1up4 n ASN 132 N -3.00 -4.23 -4.77 4.97 3.02 -0.37 -4.94 115.26 105.93 1up4 n ASN 132 Ca 0.03 -0.76 -0.31 0.00 -0.03 0.00 0.00 54.58 53.51 1up4 n ASN 132 Cb 0.56 -3.42 0.09 0.00 -0.61 0.00 0.00 39.78 36.40 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 -3.22 2.27 0.01 5.41 0.00 -1.26 -4.99 121.76 119.99 1up4 s ALA 133 Ca 0.64 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1up4 s ALA 133 Cb -0.33 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1up4 s ALA 133 CO 0.78 -1.74 1.21 0.99 0.00 0.00 0.00 175.76 177.00 1up4 s THR 134 N -2.91 4.11 -0.28 0.00 2.01 -0.71 -4.88 115.64 112.97 1up4 s THR 134 Ca 0.61 1.49 -0.11 0.00 0.31 0.00 0.00 61.69 63.98 1up4 s THR 134 Cb -0.17 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 1up4 s THR 134 CO 0.56 0.06 0.21 -0.63 -0.69 0.00 0.00 174.62 174.14 1up4 s ILE 135 N 1.59 5.29 -0.27 1.82 1.01 -0.03 -0.93 121.20 129.68 1up4 s ILE 135 Ca 0.58 0.21 -0.12 0.00 0.00 0.00 0.00 60.65 61.32 1up4 s ILE 135 Cb -0.28 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1up4 s ILE 135 CO 0.26 0.23 0.25 -0.69 0.00 0.00 0.00 174.94 175.00 1up4 s VAL 136 N 1.80 5.27 -0.19 2.92 1.01 0.13 -0.29 120.40 131.04 1up4 s VAL 136 Ca 0.08 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 1up4 s VAL 136 Cb -0.16 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1up4 s VAL 136 CO 0.11 0.23 -0.06 0.21 0.00 0.00 0.00 175.10 175.59 1up4 s ASN 137 N 1.64 4.35 -0.11 3.32 2.47 -0.21 -1.12 114.94 125.26 1up4 s ASN 137 Ca 0.10 -0.32 0.14 0.00 0.42 0.00 0.00 52.86 53.20 1up4 s ASN 137 Cb -0.16 -1.72 -0.20 0.00 -1.45 0.00 0.00 41.25 37.72 1up4 s ASN 137 CO 0.10 0.06 0.13 0.49 -3.72 0.00 0.00 177.10 174.16 1up4 n PHE 138 N 4.26 0.00 -1.65 0.43 3.72 0.97 -0.97 117.46 124.22 1up4 n PHE 138 Ca -0.18 0.00 -0.61 0.00 -0.05 0.00 0.00 57.45 56.61 1up4 n PHE 138 Cb 0.52 -0.64 -0.08 0.00 -0.94 0.00 0.00 39.48 38.33 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 -2.42 0.08 -3.00 4.37 -1.04 -1.13 -4.55 114.28 106.59 1up4 n THR 139 Ca -0.19 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.47 1up4 n THR 139 Cb 0.84 -0.61 -0.06 0.00 -1.82 0.00 0.00 70.33 68.67 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 2.00 6.93 -0.32 8.00 0.01 -1.26 -2.50 114.94 127.79 1up4 s ASN 140 Ca 0.97 1.48 -0.28 0.00 -0.71 0.00 0.00 52.86 54.32 1up4 s ASN 140 Cb -1.25 -2.45 0.02 0.00 0.41 0.00 0.00 41.25 37.98 1up4 s ASN 140 CO 0.66 -0.20 1.03 -2.84 -1.51 0.00 0.00 177.10 174.24 1up4 s PRO 141 N -2.79 4.03 0.12 -0.60 0.02 -1.26 -4.73 135.00 129.79 1up4 s PRO 141 Ca 0.54 0.96 -0.26 0.00 0.02 0.00 0.00 61.00 62.26 1up4 s PRO 141 Cb -0.12 -3.74 -0.06 0.00 0.02 0.00 0.00 34.50 30.60 1up4 s PRO 141 CO 0.17 -0.89 1.63 1.03 -0.33 0.00 0.00 177.00 178.62 1up4 h SER 142 N 8.15 -0.78 -0.55 2.53 0.87 -1.73 -0.17 113.55 121.87 1up4 h SER 142 Ca -0.21 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.41 1up4 h SER 142 Cb 1.07 0.32 -0.02 0.00 -0.44 0.00 0.00 62.40 63.32 1up4 h SER 142 CO 1.01 -0.34 0.18 1.23 -0.53 0.00 0.00 176.83 178.38 1up4 h GLY 143 N -0.41 0.91 1.05 5.77 0.00 -1.89 -0.56 103.07 107.94 1up4 h GLY 143 Ca 0.06 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 1up4 h GLY 143 CO -0.22 0.50 0.12 0.84 0.00 0.00 0.00 176.54 177.78 1up4 h HIS 144 N 0.76 1.12 -0.63 5.60 6.17 -1.89 -0.04 115.15 126.24 1up4 h HIS 144 Ca 0.18 -0.15 -0.07 0.00 0.71 0.00 0.00 60.37 61.04 1up4 h HIS 144 Cb 0.27 -0.31 -0.03 0.00 2.52 0.00 0.00 27.41 29.86 1up4 h HIS 144 CO 0.02 0.94 0.14 0.82 0.71 0.00 0.00 177.93 180.56 1up4 h ILE 145 N 0.98 1.26 -0.57 6.26 2.04 -0.81 -1.28 117.51 125.39 1up4 h ILE 145 Ca 0.20 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1up4 h ILE 145 Cb 0.41 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1up4 h ILE 145 CO 0.01 0.36 0.31 0.74 0.00 0.00 0.00 178.15 179.57 1up4 h THR 146 N 0.94 1.19 -0.66 -0.27 2.02 -0.48 -0.01 112.91 115.63 1up4 h THR 146 Ca 0.20 -0.47 0.09 0.00 0.77 0.00 0.00 66.41 66.99 1up4 h THR 146 Cb 0.38 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 1up4 h THR 146 CO 0.00 0.20 0.31 -0.08 0.37 0.00 0.00 175.52 176.32 1up4 h GLU 147 N 0.76 0.52 0.36 6.66 4.57 -0.70 0.38 114.58 127.14 1up4 h GLU 147 Ca 0.20 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 1up4 h GLU 147 Cb 0.04 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1up4 h GLU 147 CO -0.03 0.34 -0.19 0.35 -1.18 0.00 0.00 179.01 178.30 1up4 h PHE 148 N 0.53 -0.49 -0.38 0.92 3.57 -0.50 -1.85 116.94 118.75 1up4 h PHE 148 Ca 0.32 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 1up4 h PHE 148 Cb 0.34 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1up4 h PHE 148 CO -0.12 -0.30 -0.09 0.28 -2.23 0.00 0.00 178.31 175.85 1up4 h VAL 149 N -0.51 1.28 -0.30 1.41 2.07 -0.77 -0.88 116.25 118.54 1up4 h VAL 149 Ca -0.05 -1.16 -0.17 0.00 0.82 0.00 0.00 66.70 66.14 1up4 h VAL 149 Cb 0.40 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1up4 h VAL 149 CO 0.07 0.39 -0.48 0.03 0.02 0.00 0.00 177.57 177.59 1up4 h ARG 150 N 0.54 0.83 0.00 1.57 2.47 -0.95 0.28 114.38 119.12 1up4 h ARG 150 Ca 0.10 -0.49 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1up4 h ARG 150 Cb 0.60 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 1up4 h ARG 150 CO 0.04 1.12 -0.82 0.09 0.56 0.00 0.00 179.97 180.96 1up4 n ASN 151 N -4.02 1.00 -0.01 7.04 3.02 -0.70 -3.92 115.26 117.67 1up4 n ASN 151 Ca -0.03 -0.57 -0.02 0.00 -0.03 0.00 0.00 54.58 53.93 1up4 n ASN 151 Cb 0.59 1.15 -0.01 0.00 -0.61 0.00 0.00 39.78 40.90 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 -1.45 0.00 0.19 3.10 4.02 -0.41 -4.68 117.16 117.93 1up4 n TYR 152 Ca 0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.00 1up4 n TYR 152 Cb 0.22 -0.07 0.12 0.00 -0.02 0.00 0.00 39.34 39.58 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 -0.05 0.00 -1.53 7.72 3.38 -1.30 -3.48 115.31 120.06 1up4 h LEU 153 Ca -0.05 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.57 1up4 h LEU 153 Cb 1.05 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.95 1up4 h LEU 153 CO -0.02 0.11 -0.76 1.21 0.09 0.00 0.00 178.44 179.06 1up4 n GLU 154 N -3.07 -6.60 -3.70 1.13 2.13 0.92 -4.99 120.64 106.47 1up4 n GLU 154 Ca 0.03 0.81 -0.38 0.00 0.66 0.00 0.00 57.16 58.27 1up4 n GLU 154 Cb 0.58 -5.78 -0.12 0.00 0.27 0.00 0.00 31.44 26.39 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 -3.39 3.20 0.17 4.31 5.04 -0.72 -5.00 117.35 120.97 1up4 s TYR 155 Ca 0.11 -1.02 -0.07 0.00 -2.44 0.00 0.00 57.07 53.65 1up4 s TYR 155 Cb -0.05 -2.33 0.06 0.00 0.35 0.00 0.00 41.96 40.00 1up4 s TYR 155 CO 0.74 -0.61 1.53 1.49 -1.34 0.00 0.00 175.55 177.36 1up4 h GLU 156 N 8.30 0.82 -2.63 4.97 4.81 -1.90 -3.33 114.58 125.62 1up4 h GLU 156 Ca -0.28 -0.41 -0.72 0.00 -0.13 0.00 0.00 59.36 57.82 1up4 h GLU 156 Cb 1.11 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.39 1up4 h GLU 156 CO 0.62 1.04 2.48 1.63 -0.73 0.00 0.00 179.01 184.06 1up4 n LYS 157 N -4.06 4.44 -3.84 1.92 5.02 -1.26 -4.82 118.16 115.57 1up4 n LYS 157 Ca -0.02 -3.30 -0.27 0.00 -2.02 0.00 0.00 58.31 52.71 1up4 n LYS 157 Cb 0.52 -2.63 -0.17 0.00 -0.02 0.00 0.00 35.03 32.73 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 -0.86 1.32 -0.24 2.13 2.19 -1.25 -0.85 117.98 120.42 1up4 s PHE 158 Ca 0.56 -0.78 0.03 0.00 0.33 0.00 0.00 56.93 57.07 1up4 s PHE 158 Cb 0.19 -1.14 0.05 0.00 -1.31 0.00 0.00 43.02 40.82 1up4 s PHE 158 CO -0.10 -0.53 -0.13 0.42 1.83 0.00 0.00 175.22 176.72 1up4 s ILE 159 N 1.76 2.13 0.06 3.12 1.01 0.60 -4.93 121.20 124.96 1up4 s ILE 159 Ca 0.02 -1.49 -0.30 0.00 0.00 0.00 0.00 60.65 58.88 1up4 s ILE 159 Cb -0.14 -2.18 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 1up4 s ILE 159 CO -0.07 0.08 1.12 -0.83 0.00 0.00 0.00 174.94 175.24 1up4 s GLY 160 N 1.15 2.61 0.24 6.18 0.00 -1.12 -1.05 107.32 115.34 1up4 s GLY 160 Ca -0.06 0.76 0.11 0.00 0.00 0.00 0.00 44.72 45.53 1up4 s GLY 160 CO -0.07 1.88 -0.17 1.08 0.00 0.00 0.00 173.10 175.83 1up4 s LEU 161 N 0.84 2.69 0.08 0.66 1.02 -0.15 -0.29 118.68 123.52 1up4 s LEU 161 Ca 0.55 -0.87 -0.13 0.00 0.02 0.00 0.00 54.13 53.71 1up4 s LEU 161 Cb -0.27 -1.28 0.02 0.00 0.02 0.00 0.00 46.19 44.68 1up4 s LEU 161 CO 0.30 0.06 0.29 0.00 0.02 0.00 0.00 176.35 177.02 1up4 n ASN 163 N 0.18 0.99 0.06 0.00 2.04 -1.26 -4.35 115.26 112.92 1up4 n ASN 163 Ca -0.17 -0.79 -0.20 0.00 -0.44 0.00 0.00 54.58 52.97 1up4 n ASN 163 Cb 0.61 0.26 -0.11 0.00 -2.53 0.00 0.00 39.78 38.02 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 0.93 1.29 -0.10 3.53 -1.51 -1.99 -2.42 116.25 115.97 1up4 h VAL 164 Ca 0.00 -2.32 0.00 0.00 -1.23 0.00 0.00 66.70 63.15 1up4 h VAL 164 Cb 0.53 2.47 -0.01 0.00 -2.13 0.00 0.00 31.29 32.15 1up4 h VAL 164 CO 0.00 0.71 0.07 -0.65 -1.23 0.00 0.00 177.57 176.47 1up4 h PRO 165 N 0.36 0.14 -0.14 5.19 0.11 -1.95 -0.87 132.00 134.83 1up4 h PRO 165 Ca -0.14 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.88 1up4 h PRO 165 Cb 1.75 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.82 1up4 h PRO 165 CO 0.21 0.11 -0.24 0.97 -0.21 0.00 0.00 178.00 178.85 1up4 h ILE 166 N 0.12 1.23 -0.64 4.15 2.10 -1.80 -1.39 117.51 121.28 1up4 h ILE 166 Ca 0.04 -1.08 -0.03 0.00 1.08 0.00 0.00 64.86 64.86 1up4 h ILE 166 Cb 0.01 1.39 -0.03 0.00 -1.09 0.00 0.00 36.82 37.09 1up4 h ILE 166 CO -0.01 0.33 0.27 0.78 -1.08 0.00 0.00 178.15 178.44 1up4 h ASN 167 N 0.23 0.87 0.04 2.19 2.35 -1.08 -1.79 115.58 118.40 1up4 h ASN 167 Ca 0.04 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1up4 h ASN 167 Cb 0.55 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1up4 h ASN 167 CO 0.04 0.79 -0.02 0.15 -1.65 0.00 0.00 177.43 176.74 1up4 h PHE 168 N 0.90 -0.05 -0.39 1.19 3.57 -0.68 -2.45 116.94 119.02 1up4 h PHE 168 Ca 0.22 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.79 1up4 h PHE 168 Cb 0.18 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 1up4 h PHE 168 CO 0.01 0.28 -0.01 0.82 -2.23 0.00 0.00 178.31 177.18 1up4 h ILE 169 N -0.39 0.69 -0.98 1.41 2.04 -1.25 -1.46 117.51 117.58 1up4 h ILE 169 Ca -0.01 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.91 1up4 h ILE 169 Cb 0.36 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 1up4 h ILE 169 CO 0.01 0.02 0.62 -0.09 0.00 0.00 0.00 178.15 178.71 1up4 h ARG 170 N 0.09 1.05 -0.26 2.37 2.43 -1.30 0.24 114.38 119.00 1up4 h ARG 170 Ca 0.19 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1up4 h ARG 170 Cb 0.27 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1up4 h ARG 170 CO -0.33 0.70 0.15 1.49 -1.51 0.00 0.00 179.97 180.46 1up4 h GLU 171 N 1.09 0.37 -0.44 0.20 4.81 -0.86 -2.01 114.58 117.73 1up4 h GLU 171 Ca 0.44 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1up4 h GLU 171 Cb 0.27 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1up4 h GLU 171 CO -0.20 0.32 0.08 0.82 -0.73 0.00 0.00 179.01 179.29 1up4 h ILE 172 N 0.32 1.24 -0.40 2.32 1.08 -0.21 -3.04 117.51 118.82 1up4 h ILE 172 Ca 0.09 -0.88 0.08 0.00 -0.39 0.00 0.00 64.86 63.76 1up4 h ILE 172 Cb 0.06 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 34.70 1up4 h ILE 172 CO -0.02 0.31 -0.05 0.00 -0.69 0.00 0.00 178.15 177.71 1up4 h ALA 173 N 0.95 0.32 0.00 1.87 0.00 -0.46 -2.18 119.26 119.77 1up4 h ALA 173 Ca 0.13 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1up4 h ALA 173 Cb 0.37 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1up4 h ALA 173 CO 0.01 -0.42 -0.16 -0.85 0.00 0.00 0.00 179.25 177.82 1up4 n GLU 174 N -5.25 1.39 0.00 0.00 0.28 -0.77 -0.91 120.64 115.38 1up4 n GLU 174 Ca 0.03 -0.53 0.00 0.00 -0.16 0.00 0.00 57.16 56.50 1up4 n GLU 174 Cb 0.22 -1.59 0.00 0.00 1.43 0.00 0.00 31.44 31.49 1up4 n GLU 174 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1up4 n PHE 176 N 2.18 0.00 -3.66 -1.84 3.72 -0.82 -4.83 117.46 112.20 1up4 n PHE 176 Ca 0.23 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.39 1up4 n PHE 176 Cb 0.65 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.23 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 -2.89 -4.24 4.37 7.64 -0.09 -5.00 113.62 113.41 1up4 n SER 177 Ca 0.00 -0.88 -0.14 0.00 1.01 0.00 0.00 58.87 58.87 1up4 n SER 177 Cb 0.00 -3.93 -0.10 0.00 -1.01 0.00 0.00 64.21 59.17 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 -3.61 1.37 0.73 -0.43 0.00 -0.12 -5.14 121.76 114.56 1up4 s ALA 178 Ca 0.19 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 1up4 s ALA 178 Cb -0.05 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.22 1up4 s ALA 178 CO 0.82 -0.15 1.10 -0.98 0.00 0.00 0.00 175.76 176.55 1up4 s ARG 179 N -3.78 2.66 0.24 0.00 1.70 -1.26 -4.49 118.95 114.01 1up4 s ARG 179 Ca 0.17 0.52 -0.07 0.00 -0.47 0.00 0.00 55.73 55.88 1up4 s ARG 179 Cb 0.04 -1.99 0.26 0.00 -0.57 0.00 0.00 34.95 32.68 1up4 s ARG 179 CO 0.00 -1.19 1.89 -0.07 -1.08 0.00 0.00 175.30 174.85 1up4 h LEU 180 N -0.77 0.97 -0.23 -1.89 4.07 -1.95 -1.72 115.31 113.80 1up4 h LEU 180 Ca -0.45 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1up4 h LEU 180 Cb 1.26 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1up4 h LEU 180 CO 0.62 0.68 0.00 -1.84 -1.08 0.00 0.00 178.44 176.82 1up4 n GLU 181 N -4.51 0.12 0.01 1.13 0.28 -1.26 -2.18 120.64 114.23 1up4 n GLU 181 Ca 0.11 0.25 0.08 0.00 -0.16 0.00 0.00 57.16 57.44 1up4 n GLU 181 Cb 0.07 -1.68 0.34 0.00 1.43 0.00 0.00 31.44 31.60 1up4 n GLU 181 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1up4 n ASP 182 N -1.89 0.07 -4.57 -1.84 9.92 -0.65 -4.71 116.55 112.89 1up4 n ASP 182 Ca 0.04 0.52 -0.36 0.00 -0.53 0.00 0.00 54.79 54.46 1up4 n ASP 182 Cb 0.27 -0.53 -0.11 0.00 -0.64 0.00 0.00 41.12 40.11 1up4 n ASP 182 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1up4 s VAL 183 N -3.03 4.78 -0.08 2.53 1.01 -0.93 -0.48 120.40 124.21 1up4 s VAL 183 Ca 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1up4 s VAL 183 Cb 0.10 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1up4 s VAL 183 CO 0.29 0.37 -0.15 0.12 0.00 0.00 0.00 175.10 175.73 1up4 s PHE 184 N 1.11 1.75 0.05 5.22 5.36 0.25 -5.01 117.98 126.71 1up4 s PHE 184 Ca 0.05 -0.68 0.07 0.00 -0.96 0.00 0.00 56.93 55.41 1up4 s PHE 184 Cb -0.14 -1.24 -0.03 0.00 -0.34 0.00 0.00 43.02 41.26 1up4 s PHE 184 CO 0.04 -0.33 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.78 1up4 s LEU 185 N 0.62 2.61 -0.42 6.12 1.02 -1.26 -0.29 118.68 127.07 1up4 s LEU 185 Ca -0.15 -0.44 -0.22 0.00 0.02 0.00 0.00 54.13 53.34 1up4 s LEU 185 Cb -0.16 -1.52 0.02 0.00 0.02 0.00 0.00 46.19 44.55 1up4 s LEU 185 CO 0.05 0.25 0.71 -0.75 0.02 0.00 0.00 176.35 176.63 1up4 s LYS 186 N -1.49 3.46 -0.04 1.70 2.20 -0.40 -4.92 119.74 120.24 1up4 s LYS 186 Ca 0.15 -0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.63 1up4 s LYS 186 Cb -0.10 -3.90 0.03 0.00 -1.51 0.00 0.00 37.83 32.34 1up4 s LYS 186 CO 0.06 -0.98 0.08 -0.47 -0.36 0.00 0.00 175.35 173.67 1up4 s TYR 187 N 3.01 -0.06 0.08 4.03 6.14 -1.26 -1.03 117.35 128.26 1up4 s TYR 187 Ca 0.27 0.27 -0.26 0.00 0.64 0.00 0.00 57.07 57.99 1up4 s TYR 187 Cb -0.13 -0.13 0.08 0.00 0.42 0.00 0.00 41.96 42.20 1up4 s TYR 187 CO 0.19 -0.11 0.79 1.52 0.64 0.00 0.00 175.55 178.59 1up4 s TYR 188 N 0.91 -0.39 -5.00 4.97 1.13 -0.69 -4.33 117.35 113.96 1up4 s TYR 188 Ca -0.07 0.20 0.00 0.00 -1.41 0.00 0.00 57.07 55.78 1up4 s TYR 188 Cb -0.10 0.56 0.00 0.00 -1.10 0.00 0.00 41.96 41.32 1up4 s TYR 188 CO -0.04 -0.70 0.00 0.41 -2.51 0.00 0.00 175.55 172.71 1up4 n GLY 189 N -0.32 0.81 3.97 5.49 0.00 -1.22 -0.33 105.19 113.58 1up4 n GLY 189 Ca -0.11 -1.82 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 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 3.69 0.12 0.99 1.02 -0.33 -0.16 118.68 124.01 1up4 s LEU 190 Ca 0.00 -0.42 -0.33 0.00 0.02 0.00 0.00 54.13 53.39 1up4 s LEU 190 Cb 0.00 -2.53 -0.13 0.00 0.02 0.00 0.00 46.19 43.55 1up4 s LEU 190 CO 0.00 -0.61 1.69 -3.20 0.02 0.00 0.00 176.35 174.25 1up4 n ASN 191 N -1.69 3.41 -1.38 2.29 4.05 -1.26 -0.91 115.26 119.76 1up4 n ASN 191 Ca 0.04 1.05 -0.16 0.00 0.45 0.00 0.00 54.58 55.95 1up4 n ASN 191 Cb 0.59 -1.45 -0.06 0.00 1.23 0.00 0.00 39.78 40.09 1up4 n ASN 191 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1up4 n HIS 192 N 4.39 -0.16 -2.70 1.20 8.25 -1.26 -4.84 115.22 120.10 1up4 n HIS 192 Ca 0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.56 1up4 n HIS 192 Cb 0.31 -2.94 0.11 0.00 1.12 0.00 0.00 29.99 28.58 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 -1.96 -1.49 -4.48 2.41 0.00 -0.09 -4.49 117.00 106.89 1up4 n LEU 193 Ca -0.17 -3.52 -0.24 0.00 0.00 0.00 0.00 56.01 52.07 1up4 n LEU 193 Cb 0.56 0.14 -0.10 0.00 0.00 0.00 0.00 43.42 44.02 1up4 n LEU 193 CO 0.24 1.87 -0.43 -0.94 0.00 0.00 0.00 177.39 178.13 1up4 s SER 194 N -1.46 3.49 0.01 1.96 1.04 -1.19 -1.19 113.70 116.37 1up4 s SER 194 Ca 0.23 -1.10 0.01 0.00 0.48 0.00 0.00 55.95 55.56 1up4 s SER 194 Cb 0.40 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 1up4 s SER 194 CO -0.07 -0.10 -0.04 -0.36 0.98 0.00 0.00 173.24 173.66 1up4 s PHE 195 N -2.62 0.33 -0.14 5.02 0.40 0.56 -1.75 117.98 119.78 1up4 s PHE 195 Ca 0.30 -0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 56.35 1up4 s PHE 195 Cb -0.01 -0.21 -0.01 0.00 0.51 0.00 0.00 43.02 43.29 1up4 s PHE 195 CO 0.15 -0.07 -0.13 0.42 0.70 0.00 0.00 175.22 176.28 1up4 s ILE 196 N -0.76 2.98 -0.17 0.64 1.01 0.36 -1.70 121.20 123.56 1up4 s ILE 196 Ca -0.06 -0.68 0.14 0.00 0.00 0.00 0.00 60.65 60.04 1up4 s ILE 196 Cb -0.06 -2.26 -0.20 0.00 0.01 0.00 0.00 42.46 39.96 1up4 s ILE 196 CO -0.00 0.52 0.04 1.21 0.00 0.00 0.00 174.94 176.71 1up4 n GLU 197 N 3.66 1.26 -3.80 2.79 2.13 -0.20 -1.05 120.64 125.44 1up4 n GLU 197 Ca -0.18 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.51 1up4 n GLU 197 Cb 0.52 -1.42 -0.11 0.00 0.27 0.00 0.00 31.44 30.70 1up4 n GLU 197 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1up4 s LYS 198 N -2.40 0.37 -0.08 5.31 2.47 -1.24 -4.94 119.74 119.22 1up4 s LYS 198 Ca -0.09 0.15 0.02 0.00 -1.56 0.00 0.00 55.97 54.49 1up4 s LYS 198 Cb 0.05 0.17 0.02 0.00 -1.46 0.00 0.00 37.83 36.60 1up4 s LYS 198 CO 0.66 -0.07 -0.12 0.08 0.16 0.00 0.00 175.35 176.07 1up4 s VAL 199 N -0.30 1.17 -0.07 4.02 1.01 -1.26 -1.28 120.40 123.70 1up4 s VAL 199 Ca -0.04 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1up4 s VAL 199 Cb -0.03 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 1up4 s VAL 199 CO 0.01 0.37 -0.21 -0.36 0.00 0.00 0.00 175.10 174.91 1up4 s PHE 200 N 0.89 2.18 -0.13 5.22 0.08 0.60 -1.31 117.98 125.52 1up4 s PHE 200 Ca -0.10 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.23 1up4 s PHE 200 Cb -0.15 -1.46 0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1up4 s PHE 200 CO 0.01 -0.27 -0.15 0.08 -0.10 0.00 0.00 175.22 174.79 1up4 s VAL 201 N 0.11 1.58 -1.44 -0.44 1.01 -0.20 -0.59 120.40 120.44 1up4 s VAL 201 Ca -0.09 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 1up4 s VAL 201 Cb -0.15 -1.46 0.11 0.00 0.00 0.00 0.00 36.38 34.89 1up4 s VAL 201 CO 0.05 0.46 0.62 0.29 0.00 0.00 0.00 175.10 176.52 1up4 n LYS 202 N 4.49 -3.24 0.00 2.72 5.02 0.37 -0.85 118.16 126.67 1up4 n LYS 202 Ca -0.18 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1up4 n LYS 202 Cb 0.51 -5.11 0.00 0.00 -0.02 0.00 0.00 35.03 30.40 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 -1.24 2.76 3.76 0.72 0.00 -1.26 -5.03 105.19 104.89 1up4 n GLY 203 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.48 4.68 -0.46 1.61 2.12 -0.03 -5.01 118.70 121.13 1up4 s GLU 204 Ca 0.00 1.30 -0.29 0.00 0.36 0.00 0.00 54.97 56.34 1up4 s GLU 204 Cb 0.00 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 31.12 1up4 s GLU 204 CO 0.00 0.48 1.23 0.34 -0.54 0.00 0.00 175.26 176.77 1up4 s ASP 205 N -0.90 6.53 -0.10 -1.70 -1.08 -1.26 -1.03 116.67 117.13 1up4 s ASP 205 Ca 0.39 0.58 0.14 0.00 -0.52 0.00 0.00 52.55 53.15 1up4 s ASP 205 Cb -0.24 -2.55 0.27 0.00 -1.46 0.00 0.00 42.92 38.95 1up4 s ASP 205 CO 0.28 -1.32 1.17 1.33 0.52 0.00 0.00 175.17 177.16 1up4 n VAL 206 N 6.93 1.71 -0.18 1.11 0.24 -0.43 -4.75 118.33 122.95 1up4 n VAL 206 Ca 0.13 -1.84 -0.01 0.00 -2.04 0.00 0.00 64.34 60.59 1up4 n VAL 206 Cb 0.49 -0.03 0.08 0.00 -1.47 0.00 0.00 33.84 32.91 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 0.47 0.55 -0.51 3.34 2.02 -1.88 -0.26 112.91 116.64 1up4 h THR 207 Ca 0.00 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.20 1up4 h THR 207 Cb 0.95 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1up4 h THR 207 CO 0.04 0.02 0.21 -0.08 0.37 0.00 0.00 175.52 176.09 1up4 h GLU 208 N 0.12 0.40 -0.13 6.66 4.57 -1.93 -1.68 114.58 122.60 1up4 h GLU 208 Ca 0.29 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.35 1up4 h GLU 208 Cb 0.45 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1up4 h GLU 208 CO -0.48 0.27 -0.33 0.87 -1.18 0.00 0.00 179.01 178.16 1up4 h LYS 209 N 0.41 0.25 -0.48 1.92 1.57 -1.61 -1.84 116.57 116.79 1up4 h LYS 209 Ca 0.24 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1up4 h LYS 209 Cb 0.23 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1up4 h LYS 209 CO -0.22 0.56 -0.10 0.28 -0.57 0.00 0.00 179.45 179.40 1up4 h VAL 210 N 0.22 1.27 -0.35 0.50 2.07 -0.54 -2.10 116.25 117.32 1up4 h VAL 210 Ca 0.03 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 1up4 h VAL 210 Cb 0.69 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1up4 h VAL 210 CO 0.05 0.42 0.06 -0.26 0.02 0.00 0.00 177.57 177.86 1up4 h PHE 211 N 0.76 0.62 -0.20 1.57 0.04 -1.02 -0.65 116.94 118.05 1up4 h PHE 211 Ca 0.12 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 1up4 h PHE 211 Cb 0.64 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 1up4 h PHE 211 CO 0.05 0.64 -0.09 0.93 -0.60 0.00 0.00 178.31 179.24 1up4 h GLU 212 N 0.41 0.32 0.00 1.51 5.08 -1.32 -2.68 114.58 117.90 1up4 h GLU 212 Ca 0.11 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 1up4 h GLU 212 Cb 0.36 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1up4 h GLU 212 CO 0.01 0.42 -0.72 -0.91 -1.00 0.00 0.00 179.01 176.81 1up4 h ASN 213 N 0.30 0.00 0.67 1.42 -0.26 -1.10 -3.15 115.58 113.46 1up4 h ASN 213 Ca 0.06 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1up4 h ASN 213 Cb 0.36 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1up4 h ASN 213 CO 0.02 0.68 -0.07 -0.07 -1.06 0.00 0.00 177.43 176.93 1up4 h LEU 214 N 0.00 0.00 -1.28 1.61 4.07 -0.77 -2.67 115.31 116.27 1up4 h LEU 214 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1up4 h LEU 214 Cb 1.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.27 1up4 h LEU 214 CO 0.09 0.07 0.00 0.29 -1.08 0.00 0.00 178.44 177.81 1up4 n LYS 215 N -3.28 1.87 -2.65 1.13 5.02 -1.18 -5.09 118.16 113.98 1up4 n LYS 215 Ca -0.01 -1.02 -0.25 0.00 -2.02 0.00 0.00 58.31 55.01 1up4 n LYS 215 Cb 0.27 -1.39 -0.01 0.00 -0.02 0.00 0.00 35.03 33.88 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 0.26 4.25 0.00 -0.35 4.77 -1.01 -5.06 117.00 119.87 1up4 n LEU 216 Ca 0.09 -5.23 0.00 0.00 -0.03 0.00 0.00 56.01 50.84 1up4 n LEU 216 Cb 0.34 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1up4 n LEU 216 CO 0.08 2.22 0.00 -0.62 -1.33 0.00 0.00 177.39 177.74 1up4 n GLU 224 N -0.35 -0.47 -4.32 3.23 1.02 -1.26 -5.07 120.64 113.41 1up4 n GLU 224 Ca 0.34 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.31 1up4 n GLU 224 Cb 0.59 -0.70 -0.10 0.00 -0.02 0.00 0.00 31.44 31.21 1up4 n GLU 224 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1up4 s ASP 225 N 0.00 2.17 0.43 1.62 -4.77 -1.26 -5.08 116.67 109.78 1up4 s ASP 225 Ca 0.00 -1.08 -0.26 0.00 -3.30 0.00 0.00 52.55 47.91 1up4 s ASP 225 Cb 0.00 -0.07 -0.09 0.00 -1.09 0.00 0.00 42.92 41.68 1up4 s ASP 225 CO 0.00 -0.32 1.37 -0.36 0.70 0.00 0.00 175.17 176.56 1up4 s PHE 226 N -3.19 2.62 0.88 2.11 0.08 -1.26 -4.99 117.98 114.23 1up4 s PHE 226 Ca 0.23 1.33 -0.12 0.00 0.12 0.00 0.00 56.93 58.48 1up4 s PHE 226 Cb 0.02 -3.81 0.12 0.00 -0.57 0.00 0.00 43.02 38.78 1up4 s PHE 226 CO 0.06 -2.56 1.14 -2.14 -0.10 0.00 0.00 175.22 171.62 1up4 s PRO 227 N -2.35 1.36 0.15 0.24 0.02 -1.26 -4.95 135.00 128.21 1up4 s PRO 227 Ca 0.59 0.31 -0.20 0.00 0.02 0.00 0.00 61.00 61.71 1up4 s PRO 227 Cb -0.41 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.28 1up4 s PRO 227 CO 0.53 -2.05 1.66 1.15 -0.33 0.00 0.00 177.00 177.96 1up4 h THR 228 N -1.39 0.56 -0.31 0.99 2.02 -1.97 -2.62 112.91 110.19 1up4 h THR 228 Ca -0.50 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.74 1up4 h THR 228 Cb 1.32 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1up4 h THR 228 CO 0.62 0.00 0.21 4.11 0.37 0.00 0.00 175.52 180.84 1up4 h TRP 229 N -0.12 0.16 -0.59 3.16 5.08 -1.99 -1.65 115.95 120.00 1up4 h TRP 229 Ca 0.14 0.00 0.04 0.00 1.08 0.00 0.00 58.89 60.16 1up4 h TRP 229 Cb 0.33 -0.05 -0.04 0.00 -3.00 0.00 0.00 29.16 26.40 1up4 h TRP 229 CO -0.33 0.08 0.33 0.35 -1.28 0.00 0.00 178.44 177.60 1up4 h PHE 230 N 0.16 0.62 -0.06 0.12 3.57 -1.83 0.17 116.94 119.68 1up4 h PHE 230 Ca 0.14 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.49 1up4 h PHE 230 Cb 0.36 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1up4 h PHE 230 CO -0.00 0.32 -0.72 1.88 -2.23 0.00 0.00 178.31 177.56 1up4 h TYR 231 N 0.64 0.43 -0.37 0.41 0.05 -1.39 -0.55 116.97 116.19 1up4 h TYR 231 Ca 0.25 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 1up4 h TYR 231 Cb 0.10 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 1up4 h TYR 231 CO -0.08 0.93 0.09 -0.44 -1.05 0.00 0.00 178.16 177.61 1up4 h ASP 232 N 0.21 0.49 0.00 3.88 3.32 -1.13 -2.16 116.42 121.04 1up4 h ASP 232 Ca -0.03 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1up4 h ASP 232 Cb 1.29 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1up4 h ASP 232 CO 0.12 0.50 -0.26 0.28 -1.72 0.00 0.00 179.24 178.16 1up4 h SER 233 N 0.53 0.00 0.08 6.45 0.02 -0.75 -3.39 113.55 116.49 1up4 h SER 233 Ca 0.12 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 1up4 h SER 233 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1up4 h SER 233 CO -0.00 0.65 -0.48 0.58 -1.14 0.00 0.00 176.83 176.44 1up4 h VAL 234 N -1.00 1.32 -6.09 2.27 2.07 -1.24 -3.47 116.25 110.10 1up4 h VAL 234 Ca -0.01 -1.70 -0.44 0.00 0.82 0.00 0.00 66.70 65.38 1up4 h VAL 234 Cb 0.29 1.71 0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1up4 h VAL 234 CO -0.01 0.52 -0.75 0.54 0.02 0.00 0.00 177.57 177.90 1up4 n ARG 235 N -3.98 -6.23 -3.93 1.57 1.74 -0.81 -4.99 116.66 100.02 1up4 n ARG 235 Ca -0.02 0.69 -0.14 0.00 -0.77 0.00 0.00 57.85 57.61 1up4 n ARG 235 Cb 0.55 -5.58 -0.15 0.00 -1.02 0.00 0.00 32.46 26.26 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 -7.14 1.80 -0.09 0.55 1.43 -1.26 -4.89 118.68 109.08 1up4 s LEU 236 Ca 0.49 -0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 53.32 1up4 s LEU 236 Cb -0.24 -0.09 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 1up4 s LEU 236 CO 0.79 -0.01 0.81 -0.63 0.23 0.00 0.00 176.35 177.54 1up4 s ILE 237 N 0.22 4.95 -0.06 -0.59 1.01 -0.21 -4.89 121.20 121.63 1up4 s ILE 237 Ca -0.02 1.66 0.04 0.00 0.00 0.00 0.00 60.65 62.33 1up4 s ILE 237 Cb -0.04 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 1up4 s ILE 237 CO -0.01 0.15 -0.16 0.54 0.00 0.00 0.00 174.94 175.46 1up4 s VAL 238 N 1.33 2.85 0.30 2.92 0.11 -1.26 -0.49 120.40 126.16 1up4 s VAL 238 Ca 0.41 -0.79 -0.29 0.00 -2.93 0.00 0.00 61.98 58.38 1up4 s VAL 238 Cb -0.18 -2.11 -0.13 0.00 -1.53 0.00 0.00 36.38 32.43 1up4 s VAL 238 CO 0.18 0.58 1.30 -3.20 -3.33 0.00 0.00 175.10 170.63 1up4 n ASN 239 N 2.54 2.57 0.30 3.54 2.85 -0.71 -4.88 115.26 121.46 1up4 n ASN 239 Ca -0.17 1.18 0.17 0.00 -0.11 0.00 0.00 54.58 55.65 1up4 n ASN 239 Cb 0.52 -1.44 0.94 0.00 1.24 0.00 0.00 39.78 41.05 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 3.08 0.00 0.00 1.20 0.11 -1.94 -1.52 132.00 132.93 1up4 h PRO 240 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1up4 h PRO 240 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1up4 h PRO 240 CO 0.67 0.04 -0.09 1.88 -0.21 0.00 0.00 178.00 180.28 1up4 h TYR 241 N 0.00 0.00 0.00 0.65 0.05 -1.90 -2.26 116.97 113.51 1up4 h TYR 241 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1up4 h TYR 241 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1up4 h TYR 241 CO 0.00 0.09 0.05 -0.07 -1.05 0.00 0.00 178.16 177.18 1up4 h LEU 242 N 0.00 0.00 -1.59 3.88 -0.00 -1.50 -1.15 115.31 114.95 1up4 h LEU 242 Ca -0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 58.05 1up4 h LEU 242 Cb 0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.84 1up4 h LEU 242 CO 0.01 0.00 0.54 0.03 -0.00 0.00 0.00 178.44 179.02 1up4 h ARG 243 N 0.00 0.36 0.00 1.13 3.08 -1.60 0.47 114.38 117.82 1up4 h ARG 243 Ca 0.00 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1up4 h ARG 243 Cb 0.11 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1up4 h ARG 243 CO 0.00 0.24 -0.34 1.88 -1.07 0.00 0.00 179.97 180.68 1up4 h TYR 244 N 0.37 0.00 0.09 3.04 0.05 -1.44 -3.18 116.97 115.91 1up4 h TYR 244 Ca 0.40 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.90 1up4 h TYR 244 Cb 1.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 1up4 h TYR 244 CO -0.00 0.34 -1.49 1.88 -1.05 0.00 0.00 178.16 177.83 1up4 h TYR 245 N 0.00 0.36 -0.26 4.88 -1.99 -1.44 -3.30 116.97 115.21 1up4 h TYR 245 Ca -0.00 -0.26 -0.06 0.00 2.00 0.00 0.00 58.73 60.40 1up4 h TYR 245 Cb 0.90 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.58 1up4 h TYR 245 CO 0.00 1.59 0.08 1.28 -0.00 0.00 0.00 178.16 181.11 1up4 n LEU 246 N -3.94 3.29 0.00 3.88 7.99 0.05 -4.98 117.00 123.29 1up4 n LEU 246 Ca -0.28 -1.68 0.00 0.00 -0.01 0.00 0.00 56.01 54.04 1up4 n LEU 246 Cb 0.88 -0.59 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 1up4 n LEU 246 CO 0.37 0.49 0.00 1.21 -1.51 0.00 0.00 177.39 177.95 1up4 n GLU 248 N 0.12 0.00 -0.04 3.23 2.13 -1.24 -5.05 120.64 119.79 1up4 n GLU 248 Ca 0.14 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.88 1up4 n GLU 248 Cb 0.71 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.39 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 0.00 -0.98 5.31 1.57 -1.92 0.23 116.57 120.78 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 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1up4 h LYS 249 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.05 1up4 n LYS 250 N -5.20 0.21 0.00 3.15 4.81 -1.26 -2.00 118.16 117.88 1up4 n LYS 250 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1up4 n LYS 250 Cb 0.12 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 33.93 1up4 n LYS 250 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1up4 n PHE 252 N 0.64 0.00 -0.27 5.64 7.35 0.80 -2.27 117.46 129.35 1up4 n PHE 252 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 1up4 n PHE 252 Cb 0.08 0.00 0.28 0.00 0.35 0.00 0.00 39.48 40.19 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 0.15 -4.13 3.64 -1.64 -1.62 116.57 113.87 1up4 h LYS 253 Ca 0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1up4 h LYS 253 Cb 0.00 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1up4 h LYS 253 CO 0.00 0.60 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.49 1up4 h LYS 254 N 0.93 -0.19 -0.96 1.90 3.64 -1.73 -3.17 116.57 116.99 1up4 h LYS 254 Ca 0.38 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.79 1up4 h LYS 254 Cb 0.27 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 1up4 h LYS 254 CO -0.14 0.26 0.63 0.82 -2.27 0.00 0.00 179.45 178.75 1up4 h ILE 255 N -0.81 1.21 -0.00 2.00 2.04 -1.83 -2.84 117.51 117.29 1up4 h ILE 255 Ca -0.02 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1up4 h ILE 255 Cb 0.54 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1up4 h ILE 255 CO 0.03 0.23 -0.07 -1.54 0.00 0.00 0.00 178.15 176.80 1up4 n SER 256 N -4.44 0.16 -0.52 1.72 3.41 -0.62 -3.51 113.62 109.82 1up4 n SER 256 Ca 0.12 -0.06 0.07 0.00 -0.26 0.00 0.00 58.87 58.73 1up4 n SER 256 Cb 0.04 -0.25 0.17 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.29 1.65 -4.12 6.66 -2.24 -1.07 -5.01 114.28 108.86 1up4 n THR 257 Ca 0.11 -1.58 -0.08 0.00 -2.27 0.00 0.00 64.05 60.23 1up4 n THR 257 Cb 0.29 0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.05 0.68 0.14 4.78 3.76 -1.23 -5.08 115.29 116.30 1up4 s HIS 258 Ca 0.28 -1.14 -0.33 0.00 -0.15 0.00 0.00 55.06 53.72 1up4 s HIS 258 Cb 0.21 -0.43 -0.17 0.00 1.11 0.00 0.00 32.58 33.30 1up4 s HIS 258 CO 0.08 -0.44 0.91 -1.91 -0.85 0.00 0.00 174.74 172.53 1up4 n GLU 259 N 0.01 0.45 -1.73 1.40 2.13 -1.26 -4.92 120.64 116.73 1up4 n GLU 259 Ca -0.10 0.16 -0.41 0.00 0.66 0.00 0.00 57.16 57.47 1up4 n GLU 259 Cb 0.62 -1.48 0.01 0.00 0.27 0.00 0.00 31.44 30.86 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 1.82 4.46 -0.28 4.31 4.77 -1.26 -4.92 117.00 125.90 1up4 n LEU 260 Ca 0.17 1.12 -0.04 0.00 -0.03 0.00 0.00 56.01 57.23 1up4 n LEU 260 Cb 0.20 -1.54 0.07 0.00 -2.33 0.00 0.00 43.42 39.82 1up4 n LEU 260 CO 0.59 -0.44 1.20 -0.09 -1.33 0.00 0.00 177.39 177.32 1up4 h ARG 261 N 2.19 1.02 -0.59 3.23 9.65 -1.94 -2.43 114.38 125.51 1up4 h ARG 261 Ca -0.49 -0.06 0.11 0.00 -1.10 0.00 0.00 59.98 58.44 1up4 h ARG 261 Cb 1.28 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 29.60 1up4 h ARG 261 CO 0.60 0.67 0.40 0.00 2.80 0.00 0.00 179.97 184.44 1up4 h ALA 262 N 1.29 2.12 -0.49 2.80 0.00 -1.91 0.81 119.26 123.88 1up4 h ALA 262 Ca 0.29 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1up4 h ALA 262 Cb -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1up4 h ALA 262 CO -0.07 -0.26 -0.05 -0.09 0.00 0.00 0.00 179.25 178.79 1up4 h ARG 263 N 0.32 0.85 -0.21 0.00 1.12 -1.80 -2.96 114.38 111.69 1up4 h ARG 263 Ca 0.28 -0.26 -0.05 0.00 -1.11 0.00 0.00 59.98 58.83 1up4 h ARG 263 Cb 0.65 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.52 1up4 h ARG 263 CO -0.07 0.88 -0.07 0.93 -3.11 0.00 0.00 179.97 178.54 1up4 h GLU 264 N 0.78 0.42 -1.93 0.20 5.08 -0.85 -3.09 114.58 115.20 1up4 h GLU 264 Ca 0.14 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1up4 h GLU 264 Cb 0.54 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1up4 h GLU 264 CO 0.03 0.68 0.00 0.28 -1.00 0.00 0.00 179.01 179.00 1up4 n VAL 265 N -4.58 0.21 0.00 3.13 0.31 -0.63 -1.65 118.33 115.12 1up4 n VAL 265 Ca -0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1up4 n VAL 265 Cb 0.30 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 1up4 n VAL 265 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1up4 n LYS 267 N 1.40 0.00 -0.10 5.55 4.01 -1.17 -0.62 118.16 127.24 1up4 n LYS 267 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 1up4 n LYS 267 Cb 0.07 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 34.55 1up4 n LYS 267 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1up4 h ILE 268 N 0.00 1.27 -0.50 -0.18 2.04 -1.62 -2.62 117.51 115.90 1up4 h ILE 268 Ca 0.00 -1.01 -0.11 0.00 1.00 0.00 0.00 64.86 64.74 1up4 h ILE 268 Cb 0.00 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1up4 h ILE 268 CO 0.00 0.32 -0.13 -0.33 0.00 0.00 0.00 178.15 178.01 1up4 h GLU 269 N 0.29 0.95 -0.15 2.37 5.08 -1.15 -1.34 114.58 120.63 1up4 h GLU 269 Ca 0.08 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1up4 h GLU 269 Cb 0.48 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1up4 h GLU 269 CO 0.02 1.02 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.80 1up4 h LYS 270 N 0.85 0.22 -0.09 2.33 3.64 -1.79 -0.55 116.57 121.17 1up4 h LYS 270 Ca 0.13 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1up4 h LYS 270 Cb 0.68 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1up4 h LYS 270 CO 0.05 0.28 -0.18 1.49 -2.27 0.00 0.00 179.45 178.82 1up4 h GLU 271 N 0.22 0.28 -0.61 1.90 4.81 -1.08 -2.89 114.58 117.20 1up4 h GLU 271 Ca 0.05 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 1up4 h GLU 271 Cb 0.21 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1up4 h GLU 271 CO 0.01 0.77 0.08 -0.07 -0.73 0.00 0.00 179.01 179.07 1up4 h LEU 272 N -0.18 0.99 -0.81 1.64 3.38 -0.98 -2.51 115.31 116.83 1up4 h LEU 272 Ca 0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1up4 h LEU 272 Cb 0.77 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1up4 h LEU 272 CO 0.04 1.01 0.51 0.15 0.09 0.00 0.00 178.44 180.24 1up4 h PHE 273 N 0.93 1.05 -0.57 1.13 3.57 -1.15 0.27 116.94 122.17 1up4 h PHE 273 Ca 0.18 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1up4 h PHE 273 Cb 0.46 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1up4 h PHE 273 CO 0.03 0.69 0.12 0.93 -2.23 0.00 0.00 178.31 177.85 1up4 h GLU 274 N 1.11 0.90 -0.44 1.11 3.07 -1.41 -3.06 114.58 115.86 1up4 h GLU 274 Ca 0.29 -0.20 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 1up4 h GLU 274 Cb -0.07 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.69 1up4 h GLU 274 CO -0.06 0.82 0.18 0.87 -1.40 0.00 0.00 179.01 179.43 1up4 h LYS 275 N 0.86 0.65 0.00 2.33 1.57 -0.93 -3.16 116.57 117.90 1up4 h LYS 275 Ca 0.18 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1up4 h LYS 275 Cb 0.34 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1up4 h LYS 275 CO 0.00 0.59 0.00 1.88 -0.57 0.00 0.00 179.45 181.35 1up4 h TYR 276 N 0.57 0.00 -0.87 -1.35 0.05 -0.86 -2.60 116.97 111.90 1up4 h TYR 276 Ca 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 1up4 h TYR 276 Cb 0.18 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 1up4 h TYR 276 CO -0.00 0.00 0.50 0.00 -1.05 0.00 0.00 178.16 177.61 1up4 h ARG 277 N 0.00 1.20 -0.00 4.88 3.08 -1.56 -3.34 114.38 118.63 1up4 h ARG 277 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1up4 h ARG 277 Cb 0.11 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1up4 h ARG 277 CO 0.00 0.86 -0.00 0.25 -1.07 0.00 0.00 179.97 180.01 1up4 n THR 278 N -4.39 0.00 -2.04 2.04 -2.24 -1.16 -4.97 114.28 101.52 1up4 n THR 278 Ca 0.09 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1up4 n THR 278 Cb 0.08 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 1up4 n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1up4 s ALA 279 N -1.00 3.65 -0.11 6.98 0.00 -0.99 -4.91 121.76 125.38 1up4 s ALA 279 Ca 0.00 1.08 0.14 0.00 0.00 0.00 0.00 51.96 53.18 1up4 s ALA 279 Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 1up4 s ALA 279 CO 0.00 -1.03 1.24 -0.39 0.00 0.00 0.00 175.76 175.58 1up4 h VAL 280 N 4.85 0.87 -3.37 0.00 -1.51 -1.95 -3.47 116.25 111.67 1up4 h VAL 280 Ca -0.41 -2.31 -0.38 0.00 -1.23 0.00 0.00 66.70 62.37 1up4 h VAL 280 Cb 1.19 2.37 -0.16 0.00 -2.13 0.00 0.00 31.29 32.56 1up4 h VAL 280 CO 0.92 0.49 -0.74 -1.61 -1.23 0.00 0.00 177.57 175.41 1up4 s GLU 281 N -2.91 1.09 0.09 5.19 0.41 -1.26 -4.77 118.70 116.54 1up4 s GLU 281 Ca 0.02 -1.38 -0.31 0.00 -0.41 0.00 0.00 54.97 52.88 1up4 s GLU 281 Cb 0.08 -0.83 -0.11 0.00 -1.78 0.00 0.00 34.13 31.50 1up4 s GLU 281 CO 0.77 0.14 1.85 -0.89 -0.49 0.00 0.00 175.26 176.64 1up4 n ILE 282 N 0.08 0.43 -1.74 -1.63 5.41 -1.26 -4.97 119.36 115.68 1up4 n ILE 282 Ca -0.12 -0.08 -0.33 0.00 1.00 0.00 0.00 62.75 63.22 1up4 n ILE 282 Cb 0.59 -2.10 0.05 0.00 -0.71 0.00 0.00 39.64 37.47 1up4 n ILE 282 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1up4 s PRO 283 N 3.04 2.75 -0.73 0.38 0.04 -1.26 -5.21 135.00 134.02 1up4 s PRO 283 Ca 0.84 1.43 -0.25 0.00 0.04 0.00 0.00 61.00 63.06 1up4 s PRO 283 Cb -0.50 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 31.95 1up4 s PRO 283 CO 0.39 -1.29 2.46 -1.91 0.04 0.00 0.00 177.00 176.69 1up4 n GLU 284 N -2.41 0.58 0.00 4.56 4.07 -1.26 -5.17 120.64 121.02 1up4 n GLU 284 Ca 0.11 -0.18 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 1up4 n GLU 284 Cb 0.52 -2.78 0.00 0.00 -0.06 0.00 0.00 31.44 29.12 1up4 n GLU 284 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 1up4 n TYR 294 N 14.13 0.00 0.05 4.31 4.11 -1.26 -5.22 117.16 133.29 1up4 n TYR 294 Ca 0.49 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 58.27 1up4 n TYR 294 Cb 0.36 -0.03 -0.08 0.00 -0.00 0.00 0.00 39.34 39.59 1up4 n TYR 294 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1up4 h SER 295 N 0.00 -0.06 -0.98 9.48 4.64 -1.94 -1.64 113.55 123.05 1up4 h SER 295 Ca 0.00 -0.11 0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1up4 h SER 295 Cb 0.00 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.05 1up4 h SER 295 CO 0.00 0.07 0.64 0.74 -0.87 0.00 0.00 176.83 177.41 1up4 h THR 296 N -0.19 1.14 -0.19 2.95 2.02 -1.93 -1.24 112.91 115.47 1up4 h THR 296 Ca -0.01 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1up4 h THR 296 Cb 0.17 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1up4 h THR 296 CO 0.01 0.22 0.08 0.00 0.37 0.00 0.00 175.52 176.21 1up4 h ALA 297 N 1.44 0.25 0.20 6.16 0.00 -1.88 -0.09 119.26 125.34 1up4 h ALA 297 Ca 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1up4 h ALA 297 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1up4 h ALA 297 CO -0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 179.25 178.84 1up4 h ALA 298 N 0.94 -0.26 -0.54 0.00 0.00 -0.89 -1.57 119.26 116.93 1up4 h ALA 298 Ca 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1up4 h ALA 298 Cb 0.15 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1up4 h ALA 298 CO -0.01 -0.60 0.22 0.00 0.00 0.00 0.00 179.25 178.87 1up4 h ALA 299 N 0.42 0.70 -0.46 0.00 0.00 -1.21 -1.05 119.26 117.65 1up4 h ALA 299 Ca -0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1up4 h ALA 299 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1up4 h ALA 299 CO 0.04 0.30 -0.01 0.45 0.00 0.00 0.00 179.25 180.03 1up4 h HIS 300 N 0.73 0.83 -0.30 0.00 3.86 -0.97 0.54 115.15 119.83 1up4 h HIS 300 Ca 0.18 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 1up4 h HIS 300 Cb 0.19 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1up4 h HIS 300 CO 0.01 0.77 -0.01 1.25 0.86 0.00 0.00 177.93 180.81 1up4 h LEU 301 N 0.72 0.53 -0.76 2.43 5.85 -0.86 -2.10 115.31 121.13 1up4 h LEU 301 Ca 0.14 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 1up4 h LEU 301 Cb 0.46 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1up4 h LEU 301 CO 0.02 0.72 0.15 0.40 -0.34 0.00 0.00 178.44 179.40 1up4 h ILE 302 N 0.33 1.26 -0.71 4.05 2.04 -0.78 -0.41 117.51 123.29 1up4 h ILE 302 Ca 0.08 -0.97 0.09 0.00 1.00 0.00 0.00 64.86 65.06 1up4 h ILE 302 Cb 0.46 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 1up4 h ILE 302 CO 0.02 0.37 0.36 -0.09 0.00 0.00 0.00 178.15 178.81 1up4 h ARG 303 N 1.03 0.61 0.00 2.37 2.43 -0.78 -1.69 114.38 118.36 1up4 h ARG 303 Ca 0.21 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 1up4 h ARG 303 Cb 0.38 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1up4 h ARG 303 CO 0.00 0.40 -1.07 -0.44 -1.51 0.00 0.00 179.97 177.35 1up4 h ASP 304 N 0.63 0.00 -0.13 -3.80 3.32 -0.83 -1.83 116.42 113.79 1up4 h ASP 304 Ca 0.34 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.34 1up4 h ASP 304 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1up4 h ASP 304 CO -0.25 0.39 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.53 1up4 h LEU 305 N 0.00 0.39 0.11 1.55 4.07 -0.95 -3.30 115.31 117.18 1up4 h LEU 305 Ca -0.09 -0.08 -0.16 0.00 0.08 0.00 0.00 57.88 57.64 1up4 h LEU 305 Cb 1.37 -0.10 0.02 0.00 1.08 0.00 0.00 40.66 43.03 1up4 h LEU 305 CO 0.04 0.49 -0.69 -0.33 -1.08 0.00 0.00 178.44 176.87 1up4 h GLU 306 N 0.39 0.27 -7.50 1.13 4.39 -0.90 0.14 114.58 112.50 1up4 h GLU 306 Ca 0.08 -0.44 -0.47 0.00 0.34 0.00 0.00 59.36 58.87 1up4 h GLU 306 Cb 0.35 0.16 0.09 0.00 -0.10 0.00 0.00 28.75 29.25 1up4 h GLU 306 CO 0.02 1.20 0.36 0.95 -1.16 0.00 0.00 179.01 180.37 1up4 s THR 307 N -2.46 2.37 -0.81 1.13 -4.23 -0.72 -4.69 115.64 106.23 1up4 s THR 307 Ca -0.14 0.01 0.17 0.00 -1.18 0.00 0.00 61.69 60.54 1up4 s THR 307 Cb 0.01 -3.09 0.67 0.00 1.34 0.00 0.00 72.50 71.42 1up4 s THR 307 CO 0.81 -0.12 1.59 -0.67 -0.54 0.00 0.00 174.62 175.69 1up4 n ASP 308 N -3.14 4.65 0.14 3.99 2.03 -1.26 -1.43 116.55 121.52 1up4 n ASP 308 Ca 0.08 -2.58 -0.14 0.00 0.52 0.00 0.00 54.79 52.67 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 3.53 -0.27 -1.32 -0.67 5.08 -1.90 -3.46 114.58 115.57 1up4 h GLU 309 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1up4 h GLU 309 Cb 1.48 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1up4 h GLU 309 CO 0.26 -0.14 0.00 0.41 -1.00 0.00 0.00 179.01 178.53 1up4 n GLY 310 N -1.08 -1.26 3.06 -3.84 0.00 -1.24 -5.06 105.19 95.77 1up4 n GLY 310 Ca -0.09 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.96 0.51 -0.14 1.61 1.02 -0.55 -4.90 119.74 116.34 1up4 s LYS 311 Ca 0.00 -0.98 -0.19 0.00 0.02 0.00 0.00 55.97 54.81 1up4 s LYS 311 Cb 0.00 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.45 1up4 s LYS 311 CO 0.00 -0.09 0.55 0.42 -0.92 0.00 0.00 175.35 175.30 1up4 s ILE 312 N -3.02 5.12 -0.03 2.17 -1.09 -1.26 -0.31 121.20 122.79 1up4 s ILE 312 Ca -0.01 1.07 0.02 0.00 -2.23 0.00 0.00 60.65 59.50 1up4 s ILE 312 Cb 0.01 -3.88 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 1up4 s ILE 312 CO -0.07 0.25 -0.07 -1.00 -1.23 0.00 0.00 174.94 172.83 1up4 s HIS 313 N 1.05 0.76 -0.33 3.97 3.76 -0.47 -4.92 115.29 119.11 1up4 s HIS 313 Ca 0.28 -0.18 -0.29 0.00 -0.15 0.00 0.00 55.06 54.72 1up4 s HIS 313 Cb -0.16 -0.57 0.02 0.00 1.11 0.00 0.00 32.58 32.98 1up4 s HIS 313 CO 0.11 -0.10 1.08 0.42 -0.85 0.00 0.00 174.74 175.41 1up4 s ILE 314 N 0.33 4.48 0.16 0.60 1.01 -1.26 -0.58 121.20 125.95 1up4 s ILE 314 Ca -0.04 1.69 -0.01 0.00 0.00 0.00 0.00 60.65 62.29 1up4 s ILE 314 Cb -0.09 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 1up4 s ILE 314 CO 0.00 -0.53 0.09 0.68 0.00 0.00 0.00 174.94 175.18 1up4 s VAL 315 N 3.73 0.08 -0.20 2.92 -7.23 -0.37 -4.85 120.40 114.48 1up4 s VAL 315 Ca 0.46 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 58.50 1up4 s VAL 315 Cb -0.12 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 1up4 s VAL 315 CO 0.17 -0.26 0.49 0.20 -0.31 0.00 0.00 175.10 175.39 1up4 s ASN 316 N -3.10 6.54 0.17 4.85 0.01 0.60 -1.45 114.94 122.56 1up4 s ASN 316 Ca 0.31 0.64 -0.24 0.00 -0.71 0.00 0.00 52.86 52.86 1up4 s ASN 316 Cb 0.07 -2.28 0.06 0.00 0.41 0.00 0.00 41.25 39.51 1up4 s ASN 316 CO 0.06 -0.15 0.95 0.28 -1.51 0.00 0.00 177.10 176.73 1up4 s THR 317 N 1.53 0.00 0.35 1.60 -1.32 -0.21 -2.77 115.64 114.82 1up4 s THR 317 Ca 0.23 -0.69 -0.29 0.00 -1.21 0.00 0.00 61.69 59.73 1up4 s THR 317 Cb -0.15 -2.09 -0.11 0.00 -1.51 0.00 0.00 72.50 68.64 1up4 s THR 317 CO 0.09 0.00 1.47 -0.13 -2.21 0.00 0.00 174.62 173.84 1up4 s ARG 318 N -3.22 4.16 0.14 7.08 0.52 -1.26 -0.28 118.95 126.09 1up4 s ARG 318 Ca 0.13 2.50 -0.19 0.00 -0.52 0.00 0.00 55.73 57.65 1up4 s ARG 318 Cb -0.02 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 32.47 1up4 s ARG 318 CO 0.03 -0.48 1.69 -0.97 0.02 0.00 0.00 175.30 175.59 1up4 h ASN 319 N 3.46 -0.23 -6.86 0.23 -1.24 -0.49 -3.45 115.58 107.00 1up4 h ASN 319 Ca -0.50 0.08 -0.52 0.00 0.71 0.00 0.00 56.30 56.08 1up4 h ASN 319 Cb 1.23 0.16 -0.12 0.00 0.73 0.00 0.00 38.32 40.32 1up4 h ASN 319 CO 0.67 -0.08 -0.83 0.59 -1.29 0.00 0.00 177.43 176.50 1up4 n ASN 320 N -5.22 -0.70 0.00 1.15 5.03 -0.40 -1.35 115.26 113.76 1up4 n ASN 320 Ca -0.01 -1.09 0.00 0.00 0.87 0.00 0.00 54.58 54.36 1up4 n ASN 320 Cb 0.16 -1.33 0.00 0.00 -1.02 0.00 0.00 39.78 37.59 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 -2.19 0.87 0.09 7.41 0.00 -1.26 -4.89 105.19 105.21 1up4 n GLY 321 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.13 -3.76 1.61 0.87 -1.38 -3.37 113.55 107.40 1up4 h SER 322 Ca 0.00 0.04 -0.68 0.00 -1.23 0.00 0.00 61.79 59.92 1up4 h SER 322 Cb 0.00 0.09 -0.33 0.00 -0.44 0.00 0.00 62.40 61.72 1up4 h SER 322 CO 0.00 -0.05 -0.69 -0.63 -0.53 0.00 0.00 176.83 174.93 1up4 s ILE 323 N -6.20 3.00 -0.08 2.23 -1.09 -1.26 -0.96 121.20 116.84 1up4 s ILE 323 Ca -0.13 -1.42 0.30 0.00 -2.23 0.00 0.00 60.65 57.16 1up4 s ILE 323 Cb 0.09 -2.75 0.33 0.00 -1.58 0.00 0.00 42.46 38.55 1up4 s ILE 323 CO 0.68 -0.14 1.89 1.05 -1.23 0.00 0.00 174.94 177.19 1up4 h GLU 324 N 8.00 0.00 -0.00 2.79 4.11 -1.45 -2.00 114.58 126.02 1up4 h GLU 324 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1up4 h GLU 324 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1up4 h GLU 324 CO 0.54 0.00 -0.00 -1.71 0.07 0.00 0.00 179.01 177.91 1up4 n ASN 325 N -2.68 0.03 -4.18 3.06 2.85 -1.26 -4.87 115.26 108.21 1up4 n ASN 325 Ca 0.01 -0.70 -0.19 0.00 -0.11 0.00 0.00 54.58 53.59 1up4 n ASN 325 Cb 0.22 -0.10 -0.12 0.00 1.24 0.00 0.00 39.78 41.02 1up4 n ASN 325 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1up4 s LEU 326 N -2.21 2.28 0.52 1.20 1.02 -0.75 -4.96 118.68 115.77 1up4 s LEU 326 Ca 0.41 -0.62 -0.22 0.00 0.02 0.00 0.00 54.13 53.71 1up4 s LEU 326 Cb 0.21 -0.56 -0.06 0.00 0.02 0.00 0.00 46.19 45.81 1up4 s LEU 326 CO 0.40 -0.06 1.30 -2.65 0.02 0.00 0.00 176.35 175.37 1up4 n PRO 327 N 1.27 1.69 0.04 1.29 -0.02 -1.26 -4.85 135.00 133.16 1up4 n PRO 327 Ca -0.21 0.62 0.14 0.00 -2.02 0.00 0.00 63.50 62.02 1up4 n PRO 327 Cb 0.54 -2.50 0.60 0.00 -0.02 0.00 0.00 33.50 32.12 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 1.52 0.15 0.10 2.55 3.32 -1.95 -2.94 116.42 119.17 1up4 h ASP 328 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1up4 h ASP 328 Cb 1.31 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1up4 h ASP 328 CO 0.57 0.09 -0.17 -0.90 -1.72 0.00 0.00 179.24 177.11 1up4 n ASP 329 N -4.45 1.44 -4.69 6.45 5.68 -1.26 -1.28 116.55 118.43 1up4 n ASP 329 Ca 0.06 -1.25 -0.43 0.00 -0.50 0.00 0.00 54.79 52.67 1up4 n ASP 329 Cb 0.37 0.11 -0.03 0.00 -1.14 0.00 0.00 41.12 40.43 1up4 n ASP 329 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1up4 n TYR 330 N -0.15 2.59 -2.45 2.11 4.02 -1.11 -4.67 117.16 117.50 1up4 n TYR 330 Ca 0.14 -0.06 -0.43 0.00 -0.01 0.00 0.00 57.90 57.55 1up4 n TYR 330 Cb 0.38 -2.70 -0.02 0.00 -0.02 0.00 0.00 39.34 36.98 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 2.31 4.27 0.32 -0.72 1.01 -1.26 -0.75 120.40 125.57 1up4 s VAL 331 Ca 0.81 1.57 0.08 0.00 0.00 0.00 0.00 61.98 64.45 1up4 s VAL 331 Cb -0.52 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 1up4 s VAL 331 CO 0.37 -0.05 -0.09 -0.76 0.00 0.00 0.00 175.10 174.57 1up4 s LEU 332 N 2.71 2.63 -0.39 3.92 1.43 0.62 -4.84 118.68 124.76 1up4 s LEU 332 Ca 0.55 -1.19 -0.16 0.00 -1.03 0.00 0.00 54.13 52.31 1up4 s LEU 332 Cb -0.23 -0.86 0.01 0.00 0.03 0.00 0.00 46.19 45.13 1up4 s LEU 332 CO 0.19 -0.25 0.37 -0.70 0.23 0.00 0.00 176.35 176.19 1up4 s GLU 333 N -3.65 3.24 0.09 1.70 2.12 0.78 -1.05 118.70 121.93 1up4 s GLU 333 Ca 0.31 -0.70 -0.12 0.00 0.36 0.00 0.00 54.97 54.83 1up4 s GLU 333 Cb 0.03 -3.91 0.01 0.00 0.26 0.00 0.00 34.13 30.52 1up4 s GLU 333 CO 0.15 -0.70 0.27 0.96 -0.54 0.00 0.00 175.26 175.39 1up4 s ILE 334 N 1.98 0.11 0.14 -3.70 -4.36 -0.52 -3.45 121.20 111.40 1up4 s ILE 334 Ca 0.10 -0.92 -0.30 0.00 -0.26 0.00 0.00 60.65 59.27 1up4 s ILE 334 Cb -0.17 -1.21 -0.07 0.00 1.25 0.00 0.00 42.46 42.26 1up4 s ILE 334 CO 0.12 -0.51 1.17 -2.84 0.24 0.00 0.00 174.94 173.13 1up4 s PRO 335 N -3.58 4.50 0.13 0.37 0.02 -1.26 -1.24 135.00 133.94 1up4 s PRO 335 Ca 0.02 1.80 0.06 0.00 0.02 0.00 0.00 61.00 62.91 1up4 s PRO 335 Cb 0.03 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 1up4 s PRO 335 CO -0.10 -0.10 -0.15 0.00 -0.33 0.00 0.00 177.00 176.32 1up4 s TYR 337 N -2.10 3.37 -0.10 0.00 5.04 0.16 -1.36 117.35 122.36 1up4 s TYR 337 Ca 0.10 0.94 0.04 0.00 -2.44 0.00 0.00 57.07 55.71 1up4 s TYR 337 Cb -0.05 -2.81 -0.00 0.00 0.35 0.00 0.00 41.96 39.45 1up4 s TYR 337 CO 0.04 -0.18 -0.24 0.08 -1.34 0.00 0.00 175.55 173.91 1up4 s VAL 338 N 1.94 2.09 -0.29 3.14 1.01 0.57 0.00 120.40 128.86 1up4 s VAL 338 Ca 0.29 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 1up4 s VAL 338 Cb -0.16 -1.79 0.16 0.00 0.00 0.00 0.00 36.38 34.59 1up4 s VAL 338 CO 0.10 0.56 1.10 -0.60 0.00 0.00 0.00 175.10 176.26 1up4 s ARG 339 N 0.34 0.28 -1.27 2.72 3.52 -0.68 -1.48 118.95 122.38 1up4 s ARG 339 Ca -0.19 0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.56 1up4 s ARG 339 Cb -0.18 0.07 0.04 0.00 -1.56 0.00 0.00 34.95 33.33 1up4 s ARG 339 CO 0.09 -0.05 0.56 0.43 -0.81 0.00 0.00 175.30 175.52 1up4 n SER 340 N 3.18 -3.22 0.00 -2.12 7.64 -0.52 -1.44 113.62 117.14 1up4 n SER 340 Ca -0.17 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 58.40 1up4 n SER 340 Cb 0.57 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 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 -2.20 0.92 3.35 0.23 0.00 0.48 -4.99 105.19 102.98 1up4 n GLY 341 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.03 1.83 -0.24 1.61 0.52 -0.52 -5.09 118.95 117.02 1up4 s ARG 342 Ca 0.00 -1.10 0.02 0.00 -0.52 0.00 0.00 55.73 54.13 1up4 s ARG 342 Cb 0.00 -1.99 0.05 0.00 0.52 0.00 0.00 34.95 33.53 1up4 s ARG 342 CO 0.00 0.52 -0.13 0.08 0.02 0.00 0.00 175.30 175.79 1up4 s VAL 343 N -0.80 2.21 -0.15 3.52 1.01 -1.26 -1.68 120.40 123.25 1up4 s VAL 343 Ca 0.12 -1.42 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 1up4 s VAL 343 Cb -0.10 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1up4 s VAL 343 CO 0.02 0.12 0.02 -1.00 0.00 0.00 0.00 175.10 174.26 1up4 s HIS 344 N 1.17 3.17 0.48 5.22 3.76 0.10 -4.94 115.29 124.25 1up4 s HIS 344 Ca -0.05 -0.01 -0.19 0.00 -0.15 0.00 0.00 55.06 54.67 1up4 s HIS 344 Cb -0.18 -1.97 -0.09 0.00 1.11 0.00 0.00 32.58 31.45 1up4 s HIS 344 CO -0.07 0.19 0.98 0.95 -0.85 0.00 0.00 174.74 175.93 1up4 s THR 345 N 0.03 4.39 -0.00 1.30 -4.23 -1.26 0.41 115.64 116.27 1up4 s THR 345 Ca 0.03 1.30 0.02 0.00 -1.18 0.00 0.00 61.69 61.86 1up4 s THR 345 Cb -0.13 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1up4 s THR 345 CO 0.02 -0.50 -0.00 -0.76 -0.54 0.00 0.00 174.62 172.83 1up4 s LEU 346 N -3.70 3.50 0.15 4.79 1.02 -1.25 -4.85 118.68 118.35 1up4 s LEU 346 Ca 0.61 -0.01 -0.34 0.00 0.02 0.00 0.00 54.13 54.41 1up4 s LEU 346 Cb -0.10 -2.01 -0.16 0.00 0.02 0.00 0.00 46.19 43.94 1up4 s LEU 346 CO 0.24 0.28 1.23 -0.24 0.02 0.00 0.00 176.35 177.87 1up4 n SER 347 N 1.39 1.53 0.00 2.29 2.88 -1.26 -4.18 113.62 116.27 1up4 n SER 347 Ca -0.15 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1up4 n SER 347 Cb 0.53 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 1up4 n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1up4 n GLN 348 N 2.00 3.27 0.00 -1.46 6.02 -0.13 -5.02 117.38 122.05 1up4 n GLN 348 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1up4 n GLN 348 Cb 0.24 -0.50 0.00 0.00 1.02 0.00 0.00 30.24 30.99 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 0.22 3.85 1.08 0.00 -1.22 -4.97 105.19 105.05 1up4 n GLY 349 Ca 0.00 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 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 3.85 0.33 1.61 1.02 -1.26 -1.59 119.74 123.70 1up4 s LYS 350 Ca 0.00 0.31 -0.13 0.00 0.02 0.00 0.00 55.97 56.18 1up4 s LYS 350 Cb 0.00 -3.02 -0.08 0.00 -0.52 0.00 0.00 37.83 34.21 1up4 s LYS 350 CO 0.00 0.56 0.71 0.20 -0.92 0.00 0.00 175.35 175.90 1up4 s GLY 351 N -1.61 2.21 0.34 -3.33 0.00 -1.26 -4.97 107.32 98.69 1up4 s GLY 351 Ca 0.32 -0.09 -0.28 0.00 0.00 0.00 0.00 44.72 44.67 1up4 s GLY 351 CO 0.17 0.09 1.20 -0.35 0.00 0.00 0.00 173.10 174.22 1up4 s ASP 352 N -2.55 6.82 0.31 1.64 -1.08 -1.26 -4.90 116.67 115.65 1up4 s ASP 352 Ca 0.52 2.46 0.03 0.00 -0.52 0.00 0.00 52.55 55.04 1up4 s ASP 352 Cb -0.10 -2.63 0.62 0.00 -1.46 0.00 0.00 42.92 39.35 1up4 s ASP 352 CO 0.22 -0.48 1.87 0.45 0.52 0.00 0.00 175.17 177.76 1up4 h HIS 353 N 3.24 1.02 -0.09 -5.34 3.86 -1.99 -0.76 115.15 115.09 1up4 h HIS 353 Ca -0.48 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 58.75 1up4 h HIS 353 Cb 1.23 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 29.37 1up4 h HIS 353 CO 0.56 0.45 0.05 0.35 0.86 0.00 0.00 177.93 180.19 1up4 h PHE 354 N 0.92 0.13 -0.70 2.45 3.57 -1.98 -1.83 116.94 119.51 1up4 h PHE 354 Ca 0.44 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 1up4 h PHE 354 Cb 0.44 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1up4 h PHE 354 CO -0.00 0.18 0.34 0.00 -2.23 0.00 0.00 178.31 176.61 1up4 h ALA 355 N 0.93 0.90 -0.60 2.41 0.00 -1.77 -2.84 119.26 118.30 1up4 h ALA 355 Ca 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1up4 h ALA 355 Cb 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1up4 h ALA 355 CO -0.00 0.46 0.37 -0.07 0.00 0.00 0.00 179.25 180.00 1up4 h LEU 356 N 0.97 0.71 -0.88 0.00 4.07 -0.87 -0.94 115.31 118.37 1up4 h LEU 356 Ca 0.24 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.13 1up4 h LEU 356 Cb 0.11 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.63 1up4 h LEU 356 CO -0.03 0.54 0.36 0.77 -1.08 0.00 0.00 178.44 179.00 1up4 h SER 357 N 0.82 1.08 -0.21 -0.43 4.64 -1.08 0.17 113.55 118.53 1up4 h SER 357 Ca 0.22 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1up4 h SER 357 Cb -0.04 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.76 1up4 h SER 357 CO -0.04 0.92 -0.17 -0.26 -0.87 0.00 0.00 176.83 176.41 1up4 h PHE 358 N 1.16 0.58 -0.24 4.77 0.04 -1.47 -2.79 116.94 118.99 1up4 h PHE 358 Ca 0.27 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1up4 h PHE 358 Cb 0.15 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1up4 h PHE 358 CO 0.02 0.82 0.16 0.82 -0.60 0.00 0.00 178.31 179.52 1up4 h ILE 359 N 0.18 1.07 0.00 -0.55 2.04 -0.52 -2.22 117.51 117.50 1up4 h ILE 359 Ca 0.04 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1up4 h ILE 359 Cb 0.70 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1up4 h ILE 359 CO 0.04 0.07 -0.00 0.45 0.00 0.00 0.00 178.15 178.71 1up4 h HIS 360 N 0.32 -0.00 -0.49 1.37 3.86 -0.79 -1.51 115.15 117.91 1up4 h HIS 360 Ca 0.09 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1up4 h HIS 360 Cb -0.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1up4 h HIS 360 CO -0.06 0.03 0.31 0.00 0.86 0.00 0.00 177.93 179.08 1up4 h ALA 361 N 0.96 0.62 0.00 2.45 0.00 -1.33 -2.94 119.26 119.01 1up4 h ALA 361 Ca -0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1up4 h ALA 361 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1up4 h ALA 361 CO 0.00 0.08 -0.89 -0.39 0.00 0.00 0.00 179.25 178.06 1up4 h VAL 362 N 0.66 1.49 0.00 0.00 -1.51 -1.40 -2.43 116.25 113.05 1up4 h VAL 362 Ca 0.18 -3.11 0.00 0.00 -1.23 0.00 0.00 66.70 62.54 1up4 h VAL 362 Cb -0.05 2.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 1up4 h VAL 362 CO -0.04 0.85 0.00 1.17 -1.23 0.00 0.00 177.57 178.32 1up4 n LYS 363 N -3.31 0.00 0.00 5.19 3.00 -0.57 0.21 118.16 122.68 1up4 n LYS 363 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1up4 n LYS 363 Cb 0.89 -1.25 0.00 0.00 0.00 0.00 0.00 35.03 34.67 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 0.76 0.00 0.01 5.64 9.36 -0.92 -1.60 117.16 130.41 1up4 n TYR 365 Ca 0.00 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.10 1up4 n TYR 365 Cb 0.00 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.65 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 0.08 -0.25 2.98 5.08 -0.53 -0.83 114.58 121.10 1up4 h GLU 366 Ca 0.00 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1up4 h GLU 366 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1up4 h GLU 366 CO 0.00 0.09 -0.37 0.00 -1.00 0.00 0.00 179.01 177.73 1up4 h ARG 367 N 0.05 0.57 -0.75 2.33 2.47 -1.56 -1.98 114.38 115.51 1up4 h ARG 367 Ca 0.02 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1up4 h ARG 367 Cb 0.03 -0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.31 1up4 h ARG 367 CO -0.00 0.86 0.47 -0.07 0.56 0.00 0.00 179.97 181.78 1up4 h LEU 368 N 0.48 0.88 -0.32 3.04 3.38 -1.75 0.20 115.31 121.22 1up4 h LEU 368 Ca 0.05 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1up4 h LEU 368 Cb 0.86 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1up4 h LEU 368 CO 0.07 0.66 -0.04 0.74 0.09 0.00 0.00 178.44 179.96 1up4 h THR 369 N 1.03 1.27 -0.39 0.22 2.02 -0.70 -1.71 112.91 114.65 1up4 h THR 369 Ca 0.27 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.37 1up4 h THR 369 Cb -0.08 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1up4 h THR 369 CO -0.05 0.34 0.14 0.40 0.37 0.00 0.00 175.52 176.72 1up4 h ILE 370 N 0.38 1.20 -0.60 3.11 2.04 -1.05 -1.33 117.51 121.26 1up4 h ILE 370 Ca 0.09 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.38 1up4 h ILE 370 Cb 0.52 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 1up4 h ILE 370 CO 0.03 0.23 0.28 -0.33 0.00 0.00 0.00 178.15 178.35 1up4 h GLU 371 N 0.48 0.49 -0.58 2.37 5.08 -0.91 0.13 114.58 121.64 1up4 h GLU 371 Ca 0.13 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1up4 h GLU 371 Cb 0.22 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1up4 h GLU 371 CO -0.01 0.32 0.33 0.00 -1.00 0.00 0.00 179.01 178.66 1up4 h ALA 372 N 1.37 0.76 0.02 3.43 0.00 -0.93 -2.09 119.26 121.82 1up4 h ALA 372 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1up4 h ALA 372 Cb 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1up4 h ALA 372 CO -0.24 0.03 -0.01 -0.92 0.00 0.00 0.00 179.25 178.11 1up4 h TYR 373 N 0.65 -0.03 -0.22 0.00 3.20 -0.36 0.02 116.97 120.22 1up4 h TYR 373 Ca 0.25 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.12 1up4 h TYR 373 Cb 0.09 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1up4 h TYR 373 CO -0.07 0.18 0.15 -0.07 -1.64 0.00 0.00 178.16 176.71 1up4 h LEU 374 N -0.24 0.24 -0.91 2.82 3.38 -0.60 -0.28 115.31 119.73 1up4 h LEU 374 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1up4 h LEU 374 Cb 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1up4 h LEU 374 CO 0.01 0.17 -0.26 0.29 0.09 0.00 0.00 178.44 178.74 1up4 n LYS 375 N -4.50 1.28 -3.90 1.13 5.02 -0.80 -4.96 118.16 111.42 1up4 n LYS 375 Ca 0.00 -0.91 -0.27 0.00 -2.02 0.00 0.00 58.31 55.11 1up4 n LYS 375 Cb 0.08 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.62 1up4 n LYS 375 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1up4 n ARG 376 N -0.06 -4.48 -3.95 1.97 0.63 -0.12 -4.91 116.66 105.75 1up4 n ARG 376 Ca 0.13 0.53 -0.35 0.00 -0.92 0.00 0.00 57.85 57.23 1up4 n ARG 376 Cb 0.42 -5.10 -0.14 0.00 0.45 0.00 0.00 32.46 28.09 1up4 n ARG 376 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1up4 s SER 377 N -3.91 4.23 0.15 6.15 0.15 -0.51 -0.55 113.70 119.40 1up4 s SER 377 Ca 0.30 -0.40 -0.17 0.00 0.70 0.00 0.00 55.95 56.38 1up4 s SER 377 Cb -0.15 -1.72 0.03 0.00 -1.71 0.00 0.00 66.02 62.47 1up4 s SER 377 CO 0.85 -0.01 1.78 0.50 1.20 0.00 0.00 173.24 177.56 1up4 h LYS 378 N 8.04 0.36 -0.43 5.44 3.64 -1.82 -1.76 116.57 130.05 1up4 h LYS 378 Ca -0.41 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.02 1up4 h LYS 378 Cb 1.16 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.84 1up4 h LYS 378 CO 0.60 0.24 0.07 0.87 -2.27 0.00 0.00 179.45 178.97 1up4 h LYS 379 N 0.37 0.19 -0.04 1.90 1.57 -1.94 -1.79 116.57 116.83 1up4 h LYS 379 Ca 0.15 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 1up4 h LYS 379 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1up4 h LYS 379 CO -0.10 0.13 -0.51 -0.07 -0.57 0.00 0.00 179.45 178.33 1up4 h LEU 380 N 0.20 0.11 -0.77 2.94 3.38 -1.90 -2.71 115.31 116.56 1up4 h LEU 380 Ca 0.21 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1up4 h LEU 380 Cb 0.27 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1up4 h LEU 380 CO -0.29 0.61 0.46 0.00 0.09 0.00 0.00 178.44 179.31 1up4 h ALA 381 N 1.40 0.98 -0.35 1.53 0.00 -0.70 -0.68 119.26 121.44 1up4 h ALA 381 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1up4 h ALA 381 Cb 0.93 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1up4 h ALA 381 CO 0.07 0.45 0.16 -0.07 0.00 0.00 0.00 179.25 179.87 1up4 h LEU 382 N 1.05 0.23 -0.53 0.00 4.07 -1.09 0.71 115.31 119.74 1up4 h LEU 382 Ca 0.27 0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.34 1up4 h LEU 382 Cb -0.03 -0.02 -0.07 0.00 1.08 0.00 0.00 40.66 41.63 1up4 h LEU 382 CO -0.05 0.17 0.15 0.50 -1.08 0.00 0.00 178.44 178.13 1up4 h LYS 383 N 0.34 0.29 -0.19 1.13 3.64 -1.18 0.52 116.57 121.13 1up4 h LYS 383 Ca 0.15 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1up4 h LYS 383 Cb 0.08 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1up4 h LYS 383 CO -0.12 0.19 0.06 0.00 -2.27 0.00 0.00 179.45 177.32 1up4 h ALA 384 N 1.39 0.25 -0.33 5.00 0.00 -0.60 -2.51 119.26 122.47 1up4 h ALA 384 Ca 0.27 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1up4 h ALA 384 Cb 0.34 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1up4 h ALA 384 CO -0.31 -0.13 0.05 1.25 0.00 0.00 0.00 179.25 180.11 1up4 h LEU 385 N 0.14 -0.03 -2.18 0.00 5.85 -0.45 -2.06 115.31 116.59 1up4 h LEU 385 Ca 0.06 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1up4 h LEU 385 Cb 0.23 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1up4 h LEU 385 CO -0.00 0.02 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.99 1up4 h LEU 386 N 0.15 0.00 0.00 2.25 3.38 -0.74 -2.93 115.31 117.42 1up4 h LEU 386 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1up4 h LEU 386 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1up4 h LEU 386 CO -0.22 0.06 -0.09 0.77 0.09 0.00 0.00 178.44 179.04 1up4 h SER 387 N 0.00 0.00 -3.43 -0.43 4.64 -0.92 -3.46 113.55 109.95 1up4 h SER 387 Ca -0.00 -0.03 -0.52 0.00 -0.47 0.00 0.00 61.79 60.77 1up4 h SER 387 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1up4 h SER 387 CO 0.01 0.01 0.49 -2.28 -0.87 0.00 0.00 176.83 174.19 1up4 s HIS 388 N -3.12 3.55 0.62 4.77 5.04 -1.11 -4.77 115.29 120.27 1up4 s HIS 388 Ca 0.10 1.52 0.31 0.00 -1.54 0.00 0.00 55.06 55.45 1up4 s HIS 388 Cb 0.12 -3.30 1.75 0.00 0.04 0.00 0.00 32.58 31.19 1up4 s HIS 388 CO 0.62 -0.76 2.09 -1.35 -2.34 0.00 0.00 174.74 173.00 1up4 h PRO 389 N 5.81 0.00 -0.39 2.88 0.11 -1.90 0.18 132.00 138.69 1up4 h PRO 389 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.75 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.82 1up4 n LEU 390 N -3.52 4.12 0.00 2.35 4.77 -1.26 -5.03 117.00 118.44 1up4 n LEU 390 Ca 0.01 -2.70 -0.16 0.00 -0.03 0.00 0.00 56.01 53.12 1up4 n LEU 390 Cb 0.32 -0.51 0.10 0.00 -2.33 0.00 0.00 43.42 41.01 1up4 n LEU 390 CO 0.24 0.70 0.45 0.61 -1.33 0.00 0.00 177.39 178.06 1up4 n GLY 391 N 0.14 -0.62 3.80 -0.72 0.00 0.05 -4.57 105.19 103.28 1up4 n GLY 391 Ca 0.21 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 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 -4.46 3.79 0.65 1.61 0.04 -1.26 -5.00 135.00 130.37 1up4 s PRO 392 Ca 0.43 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 1up4 s PRO 392 Cb -0.02 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 1up4 s PRO 392 CO 0.29 -0.44 1.16 -0.51 0.04 0.00 0.00 177.00 177.54 1up4 s ASP 393 N -2.09 4.93 0.31 6.66 1.11 -1.26 -4.67 116.67 121.67 1up4 s ASP 393 Ca 0.66 2.19 0.08 0.00 0.18 0.00 0.00 52.55 55.67 1up4 s ASP 393 Cb -0.16 -2.57 0.90 0.00 1.07 0.00 0.00 42.92 42.16 1up4 s ASP 393 CO 0.21 -1.76 1.65 0.58 1.18 0.00 0.00 175.17 177.03 1up4 h VAL 394 N 0.23 0.28 0.00 -1.27 2.07 -1.98 0.15 116.25 115.73 1up4 h VAL 394 Ca -0.48 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1up4 h VAL 394 Cb 1.27 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1up4 h VAL 394 CO 0.53 0.04 0.00 1.05 0.02 0.00 0.00 177.57 179.22 1up4 h GLU 395 N 0.23 0.00 0.00 1.57 4.11 -2.05 -3.08 114.58 115.37 1up4 h GLU 395 Ca 0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.07 1up4 h GLU 395 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1up4 h GLU 395 CO -0.66 0.00 -1.00 -0.25 0.07 0.00 0.00 179.01 177.17 1up4 n ASP 396 N -2.90 2.13 -0.11 3.06 8.00 -0.02 -4.75 116.55 121.96 1up4 n ASP 396 Ca -0.01 -0.25 -0.05 0.00 0.71 0.00 0.00 54.79 55.18 1up4 n ASP 396 Cb 0.15 1.23 0.01 0.00 -0.02 0.00 0.00 41.12 42.50 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 0.87 0.28 -0.21 2.24 0.00 -1.30 -0.99 119.26 120.15 1up4 h ALA 397 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1up4 h ALA 397 Cb 0.30 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1up4 h ALA 397 CO 0.00 -0.43 -0.07 0.87 0.00 0.00 0.00 179.25 179.62 1up4 h LYS 398 N 0.04 0.42 -0.57 0.00 1.57 -1.86 -0.39 116.57 115.78 1up4 h LYS 398 Ca 0.18 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1up4 h LYS 398 Cb 0.26 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1up4 h LYS 398 CO -0.34 0.68 0.35 -0.44 -0.57 0.00 0.00 179.45 179.12 1up4 h ASP 399 N 0.14 0.68 -0.11 0.86 3.32 -1.86 -2.13 116.42 117.32 1up4 h ASP 399 Ca 0.05 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1up4 h ASP 399 Cb 0.53 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1up4 h ASP 399 CO 0.02 0.53 0.06 0.25 -1.72 0.00 0.00 179.24 178.39 1up4 h LEU 400 N 0.77 0.10 -0.61 1.55 5.85 -0.87 -1.57 115.31 120.53 1up4 h LEU 400 Ca 0.20 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1up4 h LEU 400 Cb -0.02 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1up4 h LEU 400 CO -0.04 0.07 0.37 0.25 -0.34 0.00 0.00 178.44 178.75 1up4 h LEU 401 N 0.13 0.73 -1.42 2.25 5.85 -0.99 -0.96 115.31 120.90 1up4 h LEU 401 Ca 0.04 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1up4 h LEU 401 Cb -0.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1up4 h LEU 401 CO -0.02 0.58 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.51 1up4 h GLU 402 N 0.82 0.29 -0.32 1.25 4.57 -1.19 -0.06 114.58 119.95 1up4 h GLU 402 Ca 0.22 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 58.20 1up4 h GLU 402 Cb -0.02 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1up4 h GLU 402 CO -0.04 0.38 -0.35 1.49 -1.18 0.00 0.00 179.01 179.32 1up4 h GLU 403 N 0.28 0.80 -0.22 1.92 4.81 -0.66 -2.47 114.58 119.05 1up4 h GLU 403 Ca 0.06 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1up4 h GLU 403 Cb 0.31 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1up4 h GLU 403 CO 0.01 1.07 0.12 0.82 -0.73 0.00 0.00 179.01 180.30 1up4 h ILE 404 N 0.58 1.11 -0.44 2.32 2.04 -0.33 -2.40 117.51 120.38 1up4 h ILE 404 Ca 0.05 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 1up4 h ILE 404 Cb 0.93 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1up4 h ILE 404 CO 0.08 0.10 -0.08 -0.07 0.00 0.00 0.00 178.15 178.19 1up4 h LEU 405 N 0.25 0.75 0.15 1.44 3.38 -1.09 -1.29 115.31 118.91 1up4 h LEU 405 Ca 0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1up4 h LEU 405 Cb 0.06 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1up4 h LEU 405 CO -0.01 0.87 -0.10 -0.33 0.09 0.00 0.00 178.44 178.95 1up4 h GLU 406 N 0.70 -0.24 0.00 1.13 5.08 -1.41 -1.86 114.58 117.99 1up4 h GLU 406 Ca 0.12 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1up4 h GLU 406 Cb 0.54 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1up4 h GLU 406 CO 0.03 -0.16 -0.31 0.00 -1.00 0.00 0.00 179.01 177.58 1up4 h ALA 407 N 0.60 1.26 -0.45 3.43 0.00 -1.23 -2.97 119.26 119.90 1up4 h ALA 407 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1up4 h ALA 407 Cb 0.21 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1up4 h ALA 407 CO 0.01 0.38 0.01 0.09 0.00 0.00 0.00 179.25 179.74 1up4 n ASN 408 N -3.83 4.93 -0.35 0.00 3.02 -0.50 -4.71 115.26 113.82 1up4 n ASN 408 Ca -0.01 -2.99 0.10 0.00 -0.03 0.00 0.00 54.58 51.65 1up4 n ASN 408 Cb 0.39 -0.63 0.22 0.00 -0.61 0.00 0.00 39.78 39.15 1up4 n ASN 408 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1up4 h ARG 409 N 3.02 0.00 0.00 3.52 3.08 -1.17 0.12 114.38 122.95 1up4 h ARG 409 Ca 0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1up4 h ARG 409 Cb 1.77 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.82 1up4 h ARG 409 CO 0.39 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.68 1up4 n GLU 410 N -5.56 0.22 -0.01 0.04 4.71 -1.26 -3.83 120.64 114.94 1up4 n GLU 410 Ca 0.20 0.10 -0.01 0.00 -0.01 0.00 0.00 57.16 57.43 1up4 n GLU 410 Cb 0.63 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.54 1up4 n GLU 410 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1up4 n TYR 411 N -1.35 0.00 -3.76 -0.32 4.01 0.34 -5.04 117.16 111.05 1up4 n TYR 411 Ca 0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.70 1up4 n TYR 411 Cb 0.19 -0.12 -0.12 0.00 -0.31 0.00 0.00 39.34 38.98 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 -0.02 -0.15 -0.72 0.11 -0.75 -4.86 120.40 111.95 1up4 s VAL 412 Ca -0.01 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.13 1up4 s VAL 412 Cb 0.01 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1up4 s VAL 412 CO 0.10 0.03 -0.19 -0.75 -3.33 0.00 0.00 175.10 170.96 1up4 s LYS 413 N 0.73 2.76 -0.11 1.54 2.20 -1.26 -4.41 119.74 121.18 1up4 s LYS 413 Ca -0.05 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1up4 s LYS 413 Cb -0.06 -2.35 -0.02 0.00 -1.51 0.00 0.00 37.83 33.89 1up4 s LYS 413 CO -0.04 -0.14 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.21 1up4 s LEU 414 N 1.14 2.99 0.00 5.43 1.02 -1.26 -4.91 118.68 123.09 1up4 s LEU 414 Ca -0.00 -0.18 0.26 0.00 0.02 0.00 0.00 54.13 54.22 1up4 s LEU 414 Cb -0.14 -1.68 0.54 0.00 0.02 0.00 0.00 46.19 44.93 1up4 s LEU 414 CO -0.08 0.23 1.46 0.61 0.02 0.00 0.00 176.35 178.59