#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ml4 h TRP 3 N 0.00 0.00 -2.49 -0.67 4.06 -1.97 -3.42 115.95 111.46 1ml4 h TRP 3 Ca 0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 1ml4 h TRP 3 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1ml4 h TRP 3 CO 0.00 0.31 1.16 0.21 -3.56 0.00 0.00 178.44 176.56 1ml4 s LYS 4 N -3.35 4.15 0.00 0.49 2.20 -1.21 -2.01 119.74 120.01 1ml4 s LYS 4 Ca 0.02 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.02 1ml4 s LYS 4 Cb 0.09 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1ml4 s LYS 4 CO 0.68 -0.91 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 1ml4 n GLY 5 N 4.34 1.01 3.77 5.54 0.00 -0.55 -4.96 105.19 114.34 1ml4 n GLY 5 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1ml4 n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ml4 s ARG 6 N -0.69 3.59 0.41 1.61 0.52 -0.85 -4.52 118.95 119.01 1ml4 s ARG 6 Ca 0.00 1.88 0.04 0.00 -0.52 0.00 0.00 55.73 57.13 1ml4 s ARG 6 Cb 0.00 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.12 1ml4 s ARG 6 CO 0.00 -0.72 0.59 -0.51 0.02 0.00 0.00 175.30 174.68 1ml4 s ASP 7 N -1.28 5.78 -0.51 0.23 -0.00 -1.26 -4.51 116.67 115.12 1ml4 s ASP 7 Ca 0.66 -0.05 0.04 0.00 -0.00 0.00 0.00 52.55 53.20 1ml4 s ASP 7 Cb -0.31 -1.18 0.17 0.00 -0.00 0.00 0.00 42.92 41.59 1ml4 s ASP 7 CO 0.38 -0.67 0.39 -0.69 -0.00 0.00 0.00 175.17 174.58 1ml4 s VAL 8 N -2.40 1.16 -0.22 -1.27 1.01 -0.43 -4.97 120.40 113.28 1ml4 s VAL 8 Ca 0.49 -3.17 -0.16 0.00 0.00 0.00 0.00 61.98 59.14 1ml4 s VAL 8 Cb -0.10 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.40 1ml4 s VAL 8 CO 0.34 -1.16 -0.26 -0.38 0.00 0.00 0.00 175.10 173.64 1ml4 n ILE 9 N 2.57 1.50 -4.63 2.22 2.08 -1.26 -0.58 119.36 121.26 1ml4 n ILE 9 Ca 0.27 -0.07 -0.23 0.00 0.56 0.00 0.00 62.75 63.28 1ml4 n ILE 9 Cb 0.44 -2.14 -0.14 0.00 -0.75 0.00 0.00 39.64 37.04 1ml4 n ILE 9 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1ml4 s SER 10 N -6.60 1.95 0.32 4.38 0.01 -1.26 -4.60 113.70 107.90 1ml4 s SER 10 Ca -0.31 -0.38 0.24 0.00 1.31 0.00 0.00 55.95 56.81 1ml4 s SER 10 Cb 0.08 -0.18 1.15 0.00 0.21 0.00 0.00 66.02 67.28 1ml4 s SER 10 CO 0.44 0.15 1.72 -0.29 0.41 0.00 0.00 173.24 175.68 1ml4 h ILE 11 N 4.60 0.00 0.00 1.44 6.09 -1.92 -0.43 117.51 127.29 1ml4 h ILE 11 Ca -0.38 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 1ml4 h ILE 11 Cb 1.16 0.75 0.00 0.00 0.47 0.00 0.00 36.82 39.20 1ml4 h ILE 11 CO 0.46 0.00 0.00 -2.11 -3.07 0.00 0.00 178.15 173.43 1ml4 n ARG 12 N -2.32 0.09 -0.06 2.19 1.85 -1.26 -2.48 116.66 114.67 1ml4 n ARG 12 Ca 0.00 0.10 0.12 0.00 -1.00 0.00 0.00 57.85 57.06 1ml4 n ARG 12 Cb 0.13 -1.50 0.40 0.00 -1.05 0.00 0.00 32.46 30.44 1ml4 n ARG 12 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ml4 n ASP 13 N -1.44 1.75 -4.42 2.89 10.43 -0.17 -4.87 116.55 120.71 1ml4 n ASP 13 Ca 0.07 -1.67 -0.31 0.00 2.57 0.00 0.00 54.79 55.44 1ml4 n ASP 13 Cb 0.25 -0.08 -0.14 0.00 1.84 0.00 0.00 41.12 42.99 1ml4 n ASP 13 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1ml4 s PHE 14 N -1.84 2.52 0.63 1.24 0.40 -1.04 -5.07 117.98 114.83 1ml4 s PHE 14 Ca 0.34 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.42 1ml4 s PHE 14 Cb 0.19 -1.49 0.12 0.00 0.51 0.00 0.00 43.02 42.34 1ml4 s PHE 14 CO 0.29 0.18 0.87 -1.13 0.70 0.00 0.00 175.22 176.12 1ml4 n SER 15 N 1.87 1.55 0.13 1.36 3.41 -1.26 -4.94 113.62 115.75 1ml4 n SER 15 Ca -0.16 -2.22 -0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1ml4 n SER 15 Cb 0.52 -0.53 0.26 0.00 -0.26 0.00 0.00 64.21 64.20 1ml4 n SER 15 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1ml4 h LYS 16 N 0.00 0.11 -0.32 4.33 3.64 -1.96 -2.69 116.57 119.67 1ml4 h LYS 16 Ca -0.29 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 58.99 1ml4 h LYS 16 Cb 1.16 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1ml4 h LYS 16 CO 0.35 0.54 0.02 1.49 -2.27 0.00 0.00 179.45 179.58 1ml4 h GLU 17 N 0.09 0.55 -0.17 1.90 4.81 -1.98 -1.39 114.58 118.39 1ml4 h GLU 17 Ca 0.01 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1ml4 h GLU 17 Cb 0.82 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1ml4 h GLU 17 CO 0.06 0.67 0.10 -0.44 -0.73 0.00 0.00 179.01 178.67 1ml4 h ASP 18 N 0.37 0.16 -0.28 1.04 3.45 -1.90 0.31 116.42 119.57 1ml4 h ASP 18 Ca 0.09 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 1ml4 h ASP 18 Cb 0.40 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 1ml4 h ASP 18 CO 0.01 0.12 0.15 0.40 -1.57 0.00 0.00 179.24 178.36 1ml4 h ILE 19 N 0.21 1.13 -0.67 0.35 2.04 -1.46 -1.54 117.51 117.56 1ml4 h ILE 19 Ca 0.07 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.63 1ml4 h ILE 19 Cb -0.01 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1ml4 h ILE 19 CO -0.03 0.13 0.40 -0.08 0.00 0.00 0.00 178.15 178.57 1ml4 h GLU 20 N 0.34 0.75 -0.08 2.37 4.57 -1.05 -1.36 114.58 120.12 1ml4 h GLU 20 Ca 0.10 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1ml4 h GLU 20 Cb 0.07 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1ml4 h GLU 20 CO -0.02 0.50 0.05 1.15 -1.18 0.00 0.00 179.01 179.51 1ml4 h THR 21 N 0.78 1.04 -0.52 0.32 2.02 -0.63 -0.67 112.91 115.25 1ml4 h THR 21 Ca 0.28 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.41 1ml4 h THR 21 Cb 0.08 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 1ml4 h THR 21 CO -0.13 0.04 0.25 0.58 0.37 0.00 0.00 175.52 176.62 1ml4 h VAL 22 N 0.09 0.92 -0.45 3.16 2.07 -0.91 0.16 116.25 121.29 1ml4 h VAL 22 Ca 0.03 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 1ml4 h VAL 22 Cb 0.02 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1ml4 h VAL 22 CO -0.01 0.09 -0.06 -0.07 0.02 0.00 0.00 177.57 177.54 1ml4 h LEU 23 N 0.48 0.76 -0.17 2.57 4.07 -1.02 0.31 115.31 122.31 1ml4 h LEU 23 Ca 0.23 -0.21 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 1ml4 h LEU 23 Cb 0.17 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 1ml4 h LEU 23 CO -0.18 0.87 -0.30 0.00 -1.08 0.00 0.00 178.44 177.75 1ml4 h ALA 24 N 1.21 0.27 -0.51 1.53 0.00 -0.73 -2.54 119.26 118.49 1ml4 h ALA 24 Ca 0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1ml4 h ALA 24 Cb 0.53 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ml4 h ALA 24 CO 0.03 0.28 0.15 1.15 0.00 0.00 0.00 179.25 180.86 1ml4 h THR 25 N 0.14 1.21 -0.94 0.00 2.02 -0.53 -1.88 112.91 112.93 1ml4 h THR 25 Ca 0.01 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1ml4 h THR 25 Cb 0.88 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 1ml4 h THR 25 CO 0.07 0.27 0.55 0.00 0.37 0.00 0.00 175.52 176.78 1ml4 h ALA 26 N 1.43 1.20 -0.43 6.16 0.00 -0.26 -1.58 119.26 125.77 1ml4 h ALA 26 Ca 0.17 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1ml4 h ALA 26 Cb 0.23 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ml4 h ALA 26 CO -0.01 0.66 -0.16 1.49 0.00 0.00 0.00 179.25 181.23 1ml4 h GLU 27 N 1.30 0.82 0.65 0.00 4.81 -0.97 -1.90 114.58 119.29 1ml4 h GLU 27 Ca 0.33 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1ml4 h GLU 27 Cb -0.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1ml4 h GLU 27 CO -0.06 0.92 -0.48 -0.09 -0.73 0.00 0.00 179.01 178.57 1ml4 h ARG 28 N 0.72 -1.05 -0.43 1.92 2.43 -0.59 -1.73 114.38 115.65 1ml4 h ARG 28 Ca 0.11 0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 1ml4 h ARG 28 Cb 0.67 0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 1ml4 h ARG 28 CO 0.05 -0.70 0.29 -0.07 -1.51 0.00 0.00 179.97 178.03 1ml4 h LEU 29 N -1.09 0.39 0.34 3.80 -0.00 -1.30 0.38 115.31 117.82 1ml4 h LEU 29 Ca -0.09 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1ml4 h LEU 29 Cb 0.90 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.47 1ml4 h LEU 29 CO 0.04 0.26 -0.21 -0.08 -0.00 0.00 0.00 178.44 178.45 1ml4 h GLU 30 N 0.45 -0.51 -0.48 1.13 4.81 -0.99 0.13 114.58 119.12 1ml4 h GLU 30 Ca 0.18 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1ml4 h GLU 30 Cb 0.15 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1ml4 h GLU 30 CO -0.04 -0.34 0.00 -0.09 -0.73 0.00 0.00 179.01 177.81 1ml4 h ARG 31 N -0.53 0.84 -0.88 1.92 2.43 -0.86 -2.97 114.38 114.33 1ml4 h ARG 31 Ca -0.03 -0.27 0.08 0.00 -0.81 0.00 0.00 59.98 58.94 1ml4 h ARG 31 Cb 0.44 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 1ml4 h ARG 31 CO 0.03 0.89 0.54 0.93 -1.51 0.00 0.00 179.97 180.85 1ml4 h GLU 32 N 0.70 0.92 0.23 0.20 5.08 -0.69 -2.20 114.58 118.82 1ml4 h GLU 32 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1ml4 h GLU 32 Cb 0.50 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1ml4 h GLU 32 CO 0.02 0.61 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.36 1ml4 h LEU 33 N 0.95 -0.58 -0.91 1.33 3.38 -0.60 -1.49 115.31 117.39 1ml4 h LEU 33 Ca 0.40 0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.68 1ml4 h LEU 33 Cb 0.25 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.05 1ml4 h LEU 33 CO -0.20 -0.32 0.34 0.11 0.09 0.00 0.00 178.44 178.46 1ml4 h LYS 34 N -0.47 0.26 0.44 1.13 1.79 -1.29 1.60 116.57 120.03 1ml4 h LYS 34 Ca -0.00 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1ml4 h LYS 34 Cb 0.44 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1ml4 h LYS 34 CO -0.05 0.17 -0.21 0.93 -1.08 0.00 0.00 179.45 179.21 1ml4 h GLU 35 N 0.27 -0.57 0.00 3.15 4.39 -1.04 -3.37 114.58 117.41 1ml4 h GLU 35 Ca 0.60 0.04 -0.16 0.00 0.34 0.00 0.00 59.36 60.18 1ml4 h GLU 35 Cb 1.24 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 30.00 1ml4 h GLU 35 CO -0.63 -0.35 -0.87 0.87 -1.16 0.00 0.00 179.01 176.88 1ml4 h LYS 36 N -1.13 0.00 0.00 2.33 1.57 -1.04 -3.48 116.57 114.82 1ml4 h LYS 36 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1ml4 h LYS 36 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1ml4 h LYS 36 CO 0.10 0.61 0.00 0.41 -0.57 0.00 0.00 179.45 180.00 1ml4 n GLY 37 N 1.31 0.22 3.16 3.86 0.00 0.54 -4.85 105.19 109.43 1ml4 n GLY 37 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1ml4 n GLY 37 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ml4 s GLN 38 N -1.14 0.03 0.36 1.61 2.00 -1.26 -5.04 119.66 116.22 1ml4 s GLN 38 Ca 0.00 0.06 0.07 0.00 -2.00 0.00 0.00 55.36 53.49 1ml4 s GLN 38 Cb 0.00 0.04 -0.00 0.00 0.80 0.00 0.00 33.01 33.84 1ml4 s GLN 38 CO 0.00 -0.03 0.49 -0.51 -0.50 0.00 0.00 175.29 174.74 1ml4 s LEU 39 N 2.73 3.85 -0.04 3.68 1.43 -0.92 -5.05 118.68 124.36 1ml4 s LEU 39 Ca -0.07 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 1ml4 s LEU 39 Cb -0.06 -2.68 0.08 0.00 0.03 0.00 0.00 46.19 43.55 1ml4 s LEU 39 CO -0.09 -0.53 0.93 -0.62 0.23 0.00 0.00 176.35 176.26 1ml4 n GLU 40 N -1.69 1.01 -0.19 1.70 -0.58 -1.21 -2.92 120.64 116.76 1ml4 n GLU 40 Ca 0.02 -1.43 0.13 0.00 -0.42 0.00 0.00 57.16 55.47 1ml4 n GLU 40 Cb 0.58 -0.88 0.46 0.00 -0.57 0.00 0.00 31.44 31.03 1ml4 n GLU 40 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1ml4 h TYR 41 N 0.00 0.59 -0.54 -0.32 -1.99 -1.80 -1.75 116.97 111.15 1ml4 h TYR 41 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1ml4 h TYR 41 Cb 1.00 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.54 1ml4 h TYR 41 CO 0.03 0.24 0.00 0.00 -0.00 0.00 0.00 178.16 178.42 1ml4 n ALA 42 N -2.49 3.58 -1.70 3.88 0.00 -0.12 -4.81 120.51 118.85 1ml4 n ALA 42 Ca 0.14 -1.66 -0.42 0.00 0.00 0.00 0.00 53.44 51.51 1ml4 n ALA 42 Cb 0.48 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1ml4 n ALA 42 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ml4 s LYS 43 N -2.40 4.13 0.00 0.00 2.47 -0.66 -1.38 119.74 121.90 1ml4 s LYS 43 Ca 0.49 2.62 0.00 0.00 -1.56 0.00 0.00 55.97 57.52 1ml4 s LYS 43 Cb 0.36 -3.49 0.00 0.00 -1.46 0.00 0.00 37.83 33.23 1ml4 s LYS 43 CO 0.17 -0.84 0.00 0.41 0.16 0.00 0.00 175.35 175.25 1ml4 n GLY 44 N 4.21 0.69 3.49 5.54 0.00 -1.26 -5.02 105.19 112.84 1ml4 n GLY 44 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1ml4 n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ml4 s LYS 45 N -0.36 2.23 -0.06 1.61 -0.14 -0.48 -5.04 119.74 117.50 1ml4 s LYS 45 Ca 0.00 -0.89 0.05 0.00 -1.36 0.00 0.00 55.97 53.77 1ml4 s LYS 45 Cb 0.00 -2.28 -0.01 0.00 -1.68 0.00 0.00 37.83 33.86 1ml4 s LYS 45 CO 0.00 0.56 -0.23 0.42 -0.76 0.00 0.00 175.35 175.35 1ml4 s ILE 46 N -0.93 1.87 -0.16 2.17 1.01 -1.26 -1.40 121.20 122.50 1ml4 s ILE 46 Ca 0.15 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 1ml4 s ILE 46 Cb -0.11 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1ml4 s ILE 46 CO 0.05 0.52 0.03 -0.22 0.00 0.00 0.00 174.94 175.32 1ml4 s LEU 47 N -0.05 3.63 -0.30 2.97 2.96 0.23 -0.71 118.68 127.41 1ml4 s LEU 47 Ca -0.05 0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.82 1ml4 s LEU 47 Cb -0.14 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.67 1ml4 s LEU 47 CO 0.04 0.20 0.09 0.00 -1.32 0.00 0.00 176.35 175.36 1ml4 s ALA 48 N 0.22 3.09 -0.40 5.97 0.00 -0.57 -1.34 121.76 128.73 1ml4 s ALA 48 Ca 0.02 -1.46 -0.16 0.00 0.00 0.00 0.00 51.96 50.36 1ml4 s ALA 48 Cb -0.13 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.82 1ml4 s ALA 48 CO 0.01 -0.95 0.37 0.95 0.00 0.00 0.00 175.76 176.15 1ml4 s THR 49 N 1.51 5.17 -0.54 0.00 -4.23 -0.22 -1.41 115.64 115.91 1ml4 s THR 49 Ca 0.03 -0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 60.10 1ml4 s THR 49 Cb -0.17 -3.95 0.14 0.00 1.34 0.00 0.00 72.50 69.86 1ml4 s THR 49 CO 0.03 -0.31 0.38 -0.76 -0.54 0.00 0.00 174.62 173.42 1ml4 s LEU 50 N 1.95 5.53 -0.31 4.79 1.43 0.48 -1.74 118.68 130.80 1ml4 s LEU 50 Ca 0.09 -2.35 -0.09 0.00 -1.03 0.00 0.00 54.13 50.76 1ml4 s LEU 50 Cb -0.18 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1ml4 s LEU 50 CO 0.12 -0.53 0.13 -0.36 0.23 0.00 0.00 176.35 175.94 1ml4 s PHE 51 N 0.69 3.18 -2.71 0.29 0.40 -0.77 -1.96 117.98 117.10 1ml4 s PHE 51 Ca 0.11 -0.80 0.25 0.00 -0.60 0.00 0.00 56.93 55.90 1ml4 s PHE 51 Cb -0.22 -2.33 0.56 0.00 0.51 0.00 0.00 43.02 41.55 1ml4 s PHE 51 CO -0.03 -0.53 1.47 1.19 0.70 0.00 0.00 175.22 178.01 1ml4 n PHE 52 N 4.94 0.07 -3.90 0.36 3.01 0.71 -3.65 117.46 119.00 1ml4 n PHE 52 Ca -0.14 -0.04 -0.09 0.00 1.01 0.00 0.00 57.45 58.20 1ml4 n PHE 52 Cb 0.48 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.88 1ml4 n PHE 52 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1ml4 s GLU 53 N -1.93 0.97 0.56 -1.08 -1.05 -1.25 -4.68 118.70 110.24 1ml4 s GLU 53 Ca 0.33 -1.04 -0.21 0.00 -0.15 0.00 0.00 54.97 53.89 1ml4 s GLU 53 Cb 0.20 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 34.21 1ml4 s GLU 53 CO 0.31 -0.33 1.35 -1.25 0.95 0.00 0.00 175.26 176.29 1ml4 s PRO 54 N -3.90 3.05 -0.21 -4.83 0.04 -1.26 -4.98 135.00 122.91 1ml4 s PRO 54 Ca 0.10 2.22 -0.27 0.00 0.04 0.00 0.00 61.00 63.09 1ml4 s PRO 54 Cb 0.04 -2.20 0.09 0.00 0.04 0.00 0.00 34.50 32.47 1ml4 s PRO 54 CO -0.07 -1.26 0.80 0.45 0.04 0.00 0.00 177.00 176.97 1ml4 s SER 55 N -1.00 -0.63 0.08 6.66 0.15 -1.26 -5.08 113.70 112.62 1ml4 s SER 55 Ca 0.73 1.04 -0.01 0.00 0.70 0.00 0.00 55.95 58.41 1ml4 s SER 55 Cb -0.40 1.00 -0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1ml4 s SER 55 CO 0.47 -0.33 -0.02 0.41 1.20 0.00 0.00 173.24 174.97 1ml4 n THR 56 N 1.94 1.16 0.32 6.45 -1.04 -1.26 -4.73 114.28 117.13 1ml4 n THR 56 Ca -0.15 0.36 -0.13 0.00 -2.04 0.00 0.00 64.05 62.10 1ml4 n THR 56 Cb 0.56 -1.62 -0.06 0.00 -1.82 0.00 0.00 70.33 67.39 1ml4 n THR 56 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1ml4 h ARG 57 N -0.05 -0.82 -0.73 -2.82 3.08 -1.96 -2.47 114.38 108.61 1ml4 h ARG 57 Ca -0.00 0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.16 1ml4 h ARG 57 Cb 0.13 0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 1ml4 h ARG 57 CO -0.00 -0.54 0.43 1.15 -1.07 0.00 0.00 179.97 179.94 1ml4 h THR 58 N -1.11 1.02 0.28 2.04 2.02 -1.96 0.19 112.91 115.39 1ml4 h THR 58 Ca -0.09 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1ml4 h THR 58 Cb 0.65 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1ml4 h THR 58 CO 0.14 0.15 -0.14 -0.09 0.37 0.00 0.00 175.52 175.95 1ml4 h ARG 59 N 0.81 -0.36 -0.54 6.66 2.43 -1.85 -2.93 114.38 118.59 1ml4 h ARG 59 Ca 0.32 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1ml4 h ARG 59 Cb 0.14 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1ml4 h ARG 59 CO -0.16 -0.03 0.36 -0.07 -1.51 0.00 0.00 179.97 178.56 1ml4 h LEU 60 N -0.92 0.59 -0.45 3.80 4.07 -1.35 -0.76 115.31 120.30 1ml4 h LEU 60 Ca -0.04 -0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.73 1ml4 h LEU 60 Cb 0.51 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1ml4 h LEU 60 CO 0.06 0.42 -0.72 0.77 -1.08 0.00 0.00 178.44 177.90 1ml4 h SER 61 N 0.70 0.39 -0.15 -0.43 4.64 -0.74 -0.01 113.55 117.95 1ml4 h SER 61 Ca 0.20 -0.26 -0.08 0.00 -0.47 0.00 0.00 61.79 61.19 1ml4 h SER 61 Cb -0.04 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1ml4 h SER 61 CO -0.05 0.98 -0.20 -0.26 -0.87 0.00 0.00 176.83 176.43 1ml4 h PHE 62 N 0.22 0.49 -0.42 4.77 0.04 -1.23 0.16 116.94 120.97 1ml4 h PHE 62 Ca -0.03 -0.16 -0.08 0.00 2.80 0.00 0.00 57.97 60.50 1ml4 h PHE 62 Cb 1.28 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 1ml4 h PHE 62 CO 0.04 0.82 -0.07 0.93 -0.60 0.00 0.00 178.31 179.43 1ml4 h GLU 63 N 0.02 0.73 -0.07 1.51 5.08 -1.17 -1.08 114.58 119.60 1ml4 h GLU 63 Ca 0.02 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1ml4 h GLU 63 Cb 0.76 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1ml4 h GLU 63 CO 0.05 0.78 0.03 1.03 -1.00 0.00 0.00 179.01 179.90 1ml4 h SER 64 N 0.67 0.09 -0.58 1.42 0.87 -0.90 -2.36 113.55 112.76 1ml4 h SER 64 Ca 0.12 -0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1ml4 h SER 64 Cb 0.51 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 1ml4 h SER 64 CO 0.03 0.22 0.31 0.00 -0.53 0.00 0.00 176.83 176.85 1ml4 h ALA 65 N 0.88 0.75 -0.96 6.23 0.00 -0.35 -1.34 119.26 124.46 1ml4 h ALA 65 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ml4 h ALA 65 Cb 0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1ml4 h ALA 65 CO -0.00 -0.03 0.60 1.98 0.00 0.00 0.00 179.25 181.80 1ml4 h MET 66 N 0.58 1.30 -0.35 0.00 -1.53 -1.03 -0.94 114.93 112.96 1ml4 h MET 66 Ca 0.25 -0.10 -0.16 0.00 -3.44 0.00 0.00 59.70 56.25 1ml4 h MET 66 Cb 0.15 -0.28 -0.01 0.00 -0.55 0.00 0.00 31.60 30.92 1ml4 h MET 66 CO -0.17 0.89 -0.42 0.45 0.14 0.00 0.00 176.91 177.80 1ml4 h HIS 67 N 1.32 1.07 0.00 1.39 3.86 -1.00 0.10 115.15 121.90 1ml4 h HIS 67 Ca 0.35 -0.33 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1ml4 h HIS 67 Cb -0.09 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.15 1ml4 h HIS 67 CO 0.00 1.15 -0.10 0.00 0.86 0.00 0.00 177.93 179.85 1ml4 h ARG 68 N 0.71 0.00 -0.00 2.45 2.47 -0.65 -0.96 114.38 118.40 1ml4 h ARG 68 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1ml4 h ARG 68 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1ml4 h ARG 68 CO 0.10 0.10 -0.32 1.28 0.56 0.00 0.00 179.97 181.69 1ml4 n LEU 69 N -3.77 0.32 0.00 3.04 4.77 -0.41 -2.17 117.00 118.78 1ml4 n LEU 69 Ca -0.02 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1ml4 n LEU 69 Cb 0.20 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1ml4 n LEU 69 CO 0.30 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1ml4 n GLY 70 N 1.50 0.76 2.19 -0.72 0.00 -0.36 -0.95 105.19 107.61 1ml4 n GLY 70 Ca 0.06 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 1ml4 n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ml4 n GLY 71 N -2.38 2.30 3.55 -0.02 0.00 -0.03 -3.29 105.19 105.32 1ml4 n GLY 71 Ca 0.00 -2.21 -0.24 0.00 0.00 0.00 0.00 46.02 43.58 1ml4 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ml4 s ALA 72 N -2.41 2.94 -0.04 4.61 0.00 -0.49 -4.41 121.76 121.95 1ml4 s ALA 72 Ca 0.28 -1.78 0.02 0.00 0.00 0.00 0.00 51.96 50.48 1ml4 s ALA 72 Cb -0.02 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1ml4 s ALA 72 CO 0.18 0.27 -0.08 0.08 0.00 0.00 0.00 175.76 176.21 1ml4 s VAL 73 N -2.43 0.74 0.26 0.00 1.01 -1.26 -0.60 120.40 118.12 1ml4 s VAL 73 Ca 0.31 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1ml4 s VAL 73 Cb -0.06 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 1ml4 s VAL 73 CO 0.17 0.25 0.05 0.27 0.00 0.00 0.00 175.10 175.84 1ml4 s ILE 74 N 0.45 0.90 -5.00 2.22 -4.36 -0.45 -4.97 121.20 109.99 1ml4 s ILE 74 Ca -0.07 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.31 1ml4 s ILE 74 Cb -0.11 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.04 1ml4 s ILE 74 CO 0.01 -0.13 0.00 0.61 0.24 0.00 0.00 174.94 175.67 1ml4 n GLY 75 N -0.50 0.65 2.96 6.27 0.00 -1.26 -1.06 105.19 112.25 1ml4 n GLY 75 Ca -0.03 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 1ml4 n GLY 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ml4 s PHE 76 N -1.78 0.19 -0.29 1.61 -0.12 -0.71 -4.95 117.98 111.93 1ml4 s PHE 76 Ca 0.00 -0.38 0.22 0.00 -0.05 0.00 0.00 56.93 56.72 1ml4 s PHE 76 Cb 0.00 -0.14 -0.31 0.00 -0.63 0.00 0.00 43.02 41.94 1ml4 s PHE 76 CO 0.00 -0.15 0.59 0.00 -0.05 0.00 0.00 175.22 175.61 1ml4 n ALA 77 N 1.95 3.33 -3.89 1.99 0.00 -1.26 -1.84 120.51 120.79 1ml4 n ALA 77 Ca -0.21 -0.54 -0.28 0.00 0.00 0.00 0.00 53.44 52.41 1ml4 n ALA 77 Cb 0.56 -0.76 -0.17 0.00 0.00 0.00 0.00 19.45 19.09 1ml4 n ALA 77 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ml4 s GLU 78 N -3.38 1.41 0.54 0.00 2.56 -1.24 -4.56 118.70 114.03 1ml4 s GLU 78 Ca -0.04 -0.45 0.22 0.00 0.00 0.00 0.00 54.97 54.70 1ml4 s GLU 78 Cb 0.15 -1.91 1.49 0.00 2.00 0.00 0.00 34.13 35.85 1ml4 s GLU 78 CO 0.90 -0.41 2.17 0.00 -0.56 0.00 0.00 175.26 177.37 1ml4 h ALA 79 N 8.14 1.72 -0.30 6.30 0.00 -1.86 -2.26 119.26 131.00 1ml4 h ALA 79 Ca -0.25 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.72 1ml4 h ALA 79 Cb 1.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ml4 h ALA 79 CO 0.40 0.03 0.26 1.03 0.00 0.00 0.00 179.25 180.97 1ml4 h SER 80 N 0.00 0.00 0.56 0.00 0.87 -1.95 -0.47 113.55 112.57 1ml4 h SER 80 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ml4 h SER 80 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1ml4 h SER 80 CO 0.00 0.00 -0.30 0.35 -0.53 0.00 0.00 176.83 176.35 1ml4 n THR 81 N -4.10 0.00 -2.73 2.23 -2.24 -0.85 -4.65 114.28 101.94 1ml4 n THR 81 Ca 0.04 -0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.61 1ml4 n THR 81 Cb 0.42 0.05 0.09 0.00 -2.10 0.00 0.00 70.33 68.78 1ml4 n THR 81 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ml4 n SER 82 N -1.33 1.41 0.00 3.42 3.41 -0.18 -4.97 113.62 115.37 1ml4 n SER 82 Ca 0.08 -2.11 0.07 0.00 -0.26 0.00 0.00 58.87 56.64 1ml4 n SER 82 Cb 0.33 -0.50 0.41 0.00 -0.26 0.00 0.00 64.21 64.19 1ml4 n SER 82 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ml4 n SER 83 N -2.74 0.00 0.21 4.04 7.64 -1.26 -2.28 113.62 119.23 1ml4 n SER 83 Ca 0.14 -1.43 0.15 0.00 1.01 0.00 0.00 58.87 58.74 1ml4 n SER 83 Cb 0.52 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 64.31 1ml4 n SER 83 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1ml4 h VAL 84 N 0.00 0.00 -0.11 0.44 -1.51 -1.81 -1.60 116.25 111.66 1ml4 h VAL 84 Ca 0.00 -0.42 -0.06 0.00 -1.23 0.00 0.00 66.70 64.99 1ml4 h VAL 84 Cb 0.00 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 1ml4 h VAL 84 CO 0.00 0.00 -0.22 0.50 -1.23 0.00 0.00 177.57 176.62 1ml4 h LYS 85 N 0.00 0.19 -0.00 5.19 3.11 -1.63 -1.33 116.57 122.09 1ml4 h LYS 85 Ca 0.00 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1ml4 h LYS 85 Cb 0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1ml4 h LYS 85 CO 0.00 0.40 -0.15 1.63 -2.81 0.00 0.00 179.45 178.52 1ml4 n LYS 86 N -4.21 0.53 0.00 1.90 5.02 -0.62 -4.90 118.16 115.87 1ml4 n LYS 86 Ca -0.01 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1ml4 n LYS 86 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1ml4 n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ml4 n GLY 87 N 1.34 0.97 3.75 0.72 0.00 -0.50 -5.10 105.19 106.36 1ml4 n GLY 87 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1ml4 n GLY 87 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ml4 n GLU 88 N -0.80 1.97 -1.98 1.61 2.13 -1.10 -4.99 120.64 117.49 1ml4 n GLU 88 Ca 0.00 0.71 -0.29 0.00 0.66 0.00 0.00 57.16 58.24 1ml4 n GLU 88 Cb 0.00 -2.58 0.13 0.00 0.27 0.00 0.00 31.44 29.26 1ml4 n GLU 88 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1ml4 s SER 89 N -0.67 3.96 0.03 4.31 1.04 -1.26 -4.60 113.70 116.50 1ml4 s SER 89 Ca 0.66 0.48 -0.19 0.00 0.48 0.00 0.00 55.95 57.37 1ml4 s SER 89 Cb -0.44 -0.80 -0.18 0.00 0.10 0.00 0.00 66.02 64.70 1ml4 s SER 89 CO 0.54 -2.21 1.21 0.25 0.98 0.00 0.00 173.24 174.01 1ml4 h LEU 90 N -1.22 0.51 -1.47 2.42 5.85 -1.99 -2.53 115.31 116.87 1ml4 h LEU 90 Ca -0.45 -0.64 -0.06 0.00 0.84 0.00 0.00 57.88 57.58 1ml4 h LEU 90 Cb 1.29 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1ml4 h LEU 90 CO 0.53 1.06 -0.26 0.08 -0.34 0.00 0.00 178.44 179.51 1ml4 h ARG 91 N -0.01 0.00 -0.11 1.25 0.11 -1.95 -1.20 114.38 112.47 1ml4 h ARG 91 Ca -0.02 -0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.84 1ml4 h ARG 91 Cb 1.04 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.13 1ml4 h ARG 91 CO 0.08 0.26 -0.81 -0.44 0.10 0.00 0.00 179.97 179.17 1ml4 h ASP 92 N 0.00 0.79 -0.50 0.08 5.19 -1.96 -1.25 116.42 118.78 1ml4 h ASP 92 Ca -0.00 -0.54 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1ml4 h ASP 92 Cb 0.47 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 1ml4 h ASP 92 CO 0.03 1.33 0.32 0.74 -3.12 0.00 0.00 179.24 178.54 1ml4 h THR 93 N 0.44 1.14 -0.12 0.35 2.02 -0.93 -1.26 112.91 114.55 1ml4 h THR 93 Ca -0.06 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 1ml4 h THR 93 Cb 1.43 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1ml4 h THR 93 CO 0.16 0.14 -0.21 0.40 0.37 0.00 0.00 175.52 176.37 1ml4 h ILE 94 N 0.68 1.38 -0.70 3.11 1.08 -1.25 -0.26 117.51 121.54 1ml4 h ILE 94 Ca 0.18 -1.47 0.05 0.00 -0.39 0.00 0.00 64.86 63.23 1ml4 h ILE 94 Cb -0.05 2.05 -0.04 0.00 -3.07 0.00 0.00 36.82 35.71 1ml4 h ILE 94 CO -0.04 0.43 0.46 0.11 -0.69 0.00 0.00 178.15 178.42 1ml4 h LYS 95 N -0.06 0.76 0.07 2.37 1.57 -1.13 0.54 116.57 120.67 1ml4 h LYS 95 Ca 0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1ml4 h LYS 95 Cb 0.79 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1ml4 h LYS 95 CO 0.05 0.50 -0.03 0.00 -0.57 0.00 0.00 179.45 179.40 1ml4 h THR 96 N 0.78 0.94 -0.53 -0.16 1.03 -1.16 -3.36 112.91 110.45 1ml4 h THR 96 Ca 0.29 -1.49 0.03 0.00 -0.01 0.00 0.00 66.41 65.23 1ml4 h THR 96 Cb 0.17 1.70 -0.03 0.00 -1.07 0.00 0.00 68.15 68.92 1ml4 h THR 96 CO -0.09 0.29 0.35 0.58 -0.01 0.00 0.00 175.52 176.64 1ml4 h VAL 97 N -0.94 1.07 -0.02 0.00 2.07 -0.90 -2.34 116.25 115.19 1ml4 h VAL 97 Ca -0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1ml4 h VAL 97 Cb 0.55 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1ml4 h VAL 97 CO 0.02 0.11 0.08 1.05 0.02 0.00 0.00 177.57 178.85 1ml4 h GLU 98 N 0.62 0.00 0.00 1.57 4.11 -1.03 -0.04 114.58 119.80 1ml4 h GLU 98 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1ml4 h GLU 98 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1ml4 h GLU 98 CO -0.05 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.07 1ml4 n GLN 99 N -3.19 0.01 -0.00 1.06 1.13 -0.88 -3.48 117.38 112.03 1ml4 n GLN 99 Ca -0.02 0.05 0.09 0.00 -1.94 0.00 0.00 57.00 55.17 1ml4 n GLN 99 Cb 0.15 -1.51 -0.12 0.00 0.11 0.00 0.00 30.24 28.86 1ml4 n GLN 99 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1ml4 n TYR 100 N -1.53 0.00 -4.42 1.08 4.01 -0.03 -5.05 117.16 111.22 1ml4 n TYR 100 Ca 0.06 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.58 1ml4 n TYR 100 Cb 0.32 -0.24 -0.08 0.00 -0.31 0.00 0.00 39.34 39.02 1ml4 n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ml4 n ASP 102 N -1.36 1.61 -3.63 0.00 8.00 0.11 -4.92 116.55 116.36 1ml4 n ASP 102 Ca -0.01 -1.30 -0.09 0.00 0.71 0.00 0.00 54.79 54.10 1ml4 n ASP 102 Cb 0.64 0.24 -0.07 0.00 -0.02 0.00 0.00 41.12 41.92 1ml4 n ASP 102 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ml4 s VAL 103 N -1.22 0.00 -0.03 2.53 0.11 -1.18 -4.25 120.40 116.37 1ml4 s VAL 103 Ca 0.11 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.23 1ml4 s VAL 103 Cb 0.09 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1ml4 s VAL 103 CO 0.21 0.00 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.11 1ml4 s ILE 104 N 0.01 2.23 -0.17 7.04 1.01 -0.12 -1.52 121.20 129.68 1ml4 s ILE 104 Ca 0.03 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.64 1ml4 s ILE 104 Cb -0.04 -1.79 0.03 0.00 0.01 0.00 0.00 42.46 40.67 1ml4 s ILE 104 CO -0.06 0.58 -0.14 -0.69 0.00 0.00 0.00 174.94 174.64 1ml4 s VAL 105 N -0.63 1.69 -0.05 2.92 1.01 -0.50 -0.15 120.40 124.69 1ml4 s VAL 105 Ca 0.10 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1ml4 s VAL 105 Cb -0.10 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 1ml4 s VAL 105 CO -0.01 0.37 -0.19 -0.51 0.00 0.00 0.00 175.10 174.76 1ml4 s ILE 106 N 1.41 1.57 -0.15 2.22 2.07 -0.50 -0.39 121.20 127.45 1ml4 s ILE 106 Ca 0.03 -0.79 0.01 0.00 -1.41 0.00 0.00 60.65 58.49 1ml4 s ILE 106 Cb -0.14 -1.35 0.02 0.00 0.13 0.00 0.00 42.46 41.11 1ml4 s ILE 106 CO -0.10 0.45 -0.18 -0.60 -1.91 0.00 0.00 174.94 172.60 1ml4 s ARG 107 N 0.06 2.62 0.04 3.50 3.52 -0.83 -0.22 118.95 127.64 1ml4 s ARG 107 Ca -0.06 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 54.87 1ml4 s ARG 107 Cb -0.13 -2.25 -0.02 0.00 -1.56 0.00 0.00 34.95 30.99 1ml4 s ARG 107 CO 0.03 -0.14 -0.07 -1.58 -0.81 0.00 0.00 175.30 172.74 1ml4 s HIS 108 N 1.17 0.56 -1.07 5.12 2.46 -0.65 -0.21 115.29 122.67 1ml4 s HIS 108 Ca -0.00 -0.50 0.24 0.00 0.47 0.00 0.00 55.06 55.27 1ml4 s HIS 108 Cb -0.14 -0.35 1.07 0.00 -0.13 0.00 0.00 32.58 33.03 1ml4 s HIS 108 CO -0.07 -0.11 1.78 -0.35 -2.47 0.00 0.00 174.74 173.52 1ml4 n PRO 109 N 1.53 0.06 -3.89 2.88 -0.04 -1.26 -1.01 135.00 133.27 1ml4 n PRO 109 Ca -0.23 0.08 -0.35 0.00 -0.04 0.00 0.00 63.50 62.96 1ml4 n PRO 109 Cb 0.55 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 1ml4 n PRO 109 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ml4 s LYS 110 N -2.93 4.02 0.35 0.54 3.01 -1.26 -3.69 119.74 119.79 1ml4 s LYS 110 Ca 0.14 -0.31 -0.28 0.00 -1.01 0.00 0.00 55.97 54.50 1ml4 s LYS 110 Cb 0.16 -3.31 -0.12 0.00 -1.01 0.00 0.00 37.83 33.56 1ml4 s LYS 110 CO 0.43 0.23 1.42 0.39 0.51 0.00 0.00 175.35 178.33 1ml4 n GLU 111 N 3.69 2.46 -0.77 1.68 4.71 -1.25 -2.11 120.64 129.06 1ml4 n GLU 111 Ca -0.16 0.87 0.00 0.00 -0.01 0.00 0.00 57.16 57.85 1ml4 n GLU 111 Cb 0.52 -2.54 0.00 0.00 -1.01 0.00 0.00 31.44 28.41 1ml4 n GLU 111 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ml4 n GLY 112 N 0.73 0.85 0.31 0.62 0.00 -1.26 -4.93 105.19 101.50 1ml4 n GLY 112 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 1ml4 n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ml4 h ALA 113 N 0.00 1.36 -0.16 4.61 0.00 -1.77 -2.01 119.26 121.29 1ml4 h ALA 113 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1ml4 h ALA 113 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ml4 h ALA 113 CO 0.00 0.48 -0.56 0.00 0.00 0.00 0.00 179.25 179.17 1ml4 h ALA 114 N 1.47 0.73 -0.48 0.00 0.00 -1.91 -1.45 119.26 117.61 1ml4 h ALA 114 Ca 0.19 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 1ml4 h ALA 114 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ml4 h ALA 114 CO -0.02 0.69 -0.23 -0.09 0.00 0.00 0.00 179.25 179.60 1ml4 h ARG 115 N 0.37 1.00 -0.52 0.00 9.65 -1.88 0.84 114.38 123.83 1ml4 h ARG 115 Ca 0.00 -0.44 -0.11 0.00 -1.10 0.00 0.00 59.98 58.33 1ml4 h ARG 115 Cb 1.10 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.63 1ml4 h ARG 115 CO 0.10 1.12 -0.12 1.25 2.80 0.00 0.00 179.97 185.12 1ml4 h LEU 116 N 0.86 0.99 -0.32 3.80 6.46 -1.29 -1.10 115.31 124.70 1ml4 h LEU 116 Ca 0.11 -0.33 -0.08 0.00 -0.12 0.00 0.00 57.88 57.46 1ml4 h LEU 116 Cb 0.82 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1ml4 h LEU 116 CO 0.07 1.11 -0.11 0.00 -0.62 0.00 0.00 178.44 178.88 1ml4 h ALA 117 N 0.98 0.45 -0.33 1.25 0.00 -1.07 -2.84 119.26 117.69 1ml4 h ALA 117 Ca 0.14 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1ml4 h ALA 117 Cb 0.68 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ml4 h ALA 117 CO 0.05 0.32 -0.03 0.00 0.00 0.00 0.00 179.25 179.59 1ml4 h ALA 118 N 0.79 1.33 -0.35 0.00 0.00 -0.69 -2.64 119.26 117.70 1ml4 h ALA 118 Ca 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ml4 h ALA 118 Cb 0.63 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ml4 h ALA 118 CO 0.04 0.45 0.14 1.49 0.00 0.00 0.00 179.25 181.37 1ml4 h GLU 119 N 0.50 0.51 -0.71 0.00 4.81 -1.09 -3.14 114.58 115.47 1ml4 h GLU 119 Ca 0.10 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 1ml4 h GLU 119 Cb 0.37 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 1ml4 h GLU 119 CO 0.01 0.50 0.16 1.55 -0.73 0.00 0.00 179.01 180.51 1ml4 n VAL 120 N -4.70 2.70 -4.78 0.32 3.14 -1.08 -4.91 118.33 109.02 1ml4 n VAL 120 Ca -0.01 -1.43 -0.24 0.00 -2.96 0.00 0.00 64.34 59.70 1ml4 n VAL 120 Cb 0.14 -0.35 -0.15 0.00 -1.06 0.00 0.00 33.84 32.41 1ml4 n VAL 120 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ml4 s ALA 121 N -2.75 1.36 -0.28 1.55 0.00 -1.01 -4.34 121.76 116.30 1ml4 s ALA 121 Ca 0.51 -0.70 0.12 0.00 0.00 0.00 0.00 51.96 51.89 1ml4 s ALA 121 Cb 0.40 -0.35 0.67 0.00 0.00 0.00 0.00 23.12 23.85 1ml4 s ALA 121 CO 0.14 0.33 1.67 0.39 0.00 0.00 0.00 175.76 178.29 1ml4 n GLU 122 N 2.68 3.41 -4.42 0.00 1.02 -1.26 -4.87 120.64 117.20 1ml4 n GLU 122 Ca -0.15 -3.06 -0.23 0.00 -0.02 0.00 0.00 57.16 53.71 1ml4 n GLU 122 Cb 0.54 -2.08 -0.13 0.00 -0.02 0.00 0.00 31.44 29.75 1ml4 n GLU 122 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ml4 s VAL 123 N -2.97 1.53 0.29 2.62 1.01 -1.26 -5.11 120.40 116.51 1ml4 s VAL 123 Ca 0.51 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1ml4 s VAL 123 Cb 0.41 -1.37 -0.11 0.00 0.00 0.00 0.00 36.38 35.31 1ml4 s VAL 123 CO 0.11 0.04 1.58 -2.84 0.00 0.00 0.00 175.10 173.99 1ml4 s PRO 124 N -1.47 4.13 -0.15 2.72 0.02 -1.26 -4.82 135.00 134.18 1ml4 s PRO 124 Ca 0.05 2.56 0.01 0.00 0.02 0.00 0.00 61.00 63.64 1ml4 s PRO 124 Cb -0.09 -3.03 -0.00 0.00 0.02 0.00 0.00 34.50 31.40 1ml4 s PRO 124 CO 0.03 -0.62 -0.16 0.08 -0.33 0.00 0.00 177.00 176.00 1ml4 s VAL 125 N -0.00 2.61 -0.19 3.83 1.01 -1.26 -0.95 120.40 125.46 1ml4 s VAL 125 Ca 0.63 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1ml4 s VAL 125 Cb -0.47 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1ml4 s VAL 125 CO 0.48 0.52 -0.05 -0.63 0.00 0.00 0.00 175.10 175.42 1ml4 s ILE 126 N 0.72 3.57 -0.40 2.22 1.01 0.79 -1.31 121.20 127.79 1ml4 s ILE 126 Ca -0.07 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 1ml4 s ILE 126 Cb -0.16 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.75 1ml4 s ILE 126 CO 0.01 0.46 1.11 0.21 0.00 0.00 0.00 174.94 176.73 1ml4 s ASN 127 N 0.92 6.78 0.00 3.58 2.47 0.25 -1.40 114.94 127.54 1ml4 s ASN 127 Ca -0.00 0.75 0.18 0.00 0.42 0.00 0.00 52.86 54.21 1ml4 s ASN 127 Cb -0.15 -2.55 0.52 0.00 -1.45 0.00 0.00 41.25 37.63 1ml4 s ASN 127 CO 0.01 -1.07 1.43 0.00 -3.72 0.00 0.00 177.10 173.75 1ml4 n ALA 128 N 7.37 2.41 0.00 1.71 0.00 0.69 -4.29 120.51 128.40 1ml4 n ALA 128 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1ml4 n ALA 128 Cb 0.48 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1ml4 n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ml4 n GLY 129 N 1.42 3.32 3.02 0.00 0.00 -1.24 -4.77 105.19 106.94 1ml4 n GLY 129 Ca 0.19 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1ml4 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ml4 s ASP 130 N 0.00 4.77 1.76 1.61 -4.77 -1.04 -1.64 116.67 117.36 1ml4 s ASP 130 Ca 0.00 -2.25 0.00 0.00 -3.30 0.00 0.00 52.55 47.00 1ml4 s ASP 130 Cb 0.00 -1.65 0.00 0.00 -1.09 0.00 0.00 42.92 40.18 1ml4 s ASP 130 CO 0.00 -0.38 0.00 0.61 0.70 0.00 0.00 175.17 176.10 1ml4 n GLY 131 N 4.14 3.19 0.96 2.12 0.00 -0.18 -1.37 105.19 114.06 1ml4 n GLY 131 Ca 0.04 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.93 1ml4 n GLY 131 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ml4 n SER 132 N 4.72 3.64 0.00 1.61 3.41 -1.26 -4.80 113.62 120.94 1ml4 n SER 132 Ca 0.00 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 1ml4 n SER 132 Cb 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1ml4 n SER 132 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ml4 n ASN 133 N 0.50 0.00 -4.47 4.04 5.15 -0.47 -3.69 115.26 116.33 1ml4 n ASN 133 Ca 0.18 0.04 -0.24 0.00 -0.60 0.00 0.00 54.58 53.96 1ml4 n ASN 133 Cb 0.65 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.80 1ml4 n ASN 133 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1ml4 s GLN 134 N -0.07 1.66 -0.46 1.20 -1.52 -1.25 -4.47 119.66 114.75 1ml4 s GLN 134 Ca 0.00 -1.75 0.07 0.00 -1.95 0.00 0.00 55.36 51.72 1ml4 s GLN 134 Cb 0.00 -1.76 0.25 0.00 -0.22 0.00 0.00 33.01 31.28 1ml4 s GLN 134 CO 0.00 0.33 0.79 1.58 -0.25 0.00 0.00 175.29 177.74 1ml4 n HIS 135 N -0.57 -2.49 -0.29 0.91 -0.00 -1.24 -2.50 115.22 109.04 1ml4 n HIS 135 Ca -0.05 -2.28 0.01 0.00 0.46 0.00 0.00 57.72 55.86 1ml4 n HIS 135 Cb 0.60 1.03 0.14 0.00 -0.12 0.00 0.00 29.99 31.64 1ml4 n HIS 135 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ml4 h PRO 136 N 3.96 0.86 0.00 1.57 0.13 -1.81 -2.85 132.00 133.86 1ml4 h PRO 136 Ca -0.09 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.95 1ml4 h PRO 136 Cb 0.99 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1ml4 h PRO 136 CO 0.36 0.57 -0.20 1.79 -0.23 0.00 0.00 178.00 180.28 1ml4 h THR 137 N 0.88 0.48 0.04 1.56 1.35 -1.92 -1.55 112.91 113.76 1ml4 h THR 137 Ca 0.37 -1.10 -0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1ml4 h THR 137 Cb 0.23 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1ml4 h THR 137 CO -0.20 0.20 -0.02 -0.61 -0.25 0.00 0.00 175.52 174.64 1ml4 h GLN 138 N 0.00 -0.06 -0.58 4.72 5.75 -1.88 -2.02 115.11 121.05 1ml4 h GLN 138 Ca -0.00 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 1ml4 h GLN 138 Cb 0.77 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 29.26 1ml4 h GLN 138 CO 0.03 0.45 0.22 1.15 -2.65 0.00 0.00 178.83 178.02 1ml4 h THR 139 N -0.59 0.80 -0.29 2.39 2.02 -1.40 0.25 112.91 116.08 1ml4 h THR 139 Ca -0.01 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1ml4 h THR 139 Cb 0.53 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1ml4 h THR 139 CO 0.01 0.07 0.10 -0.07 0.37 0.00 0.00 175.52 176.00 1ml4 h LEU 140 N 0.40 0.36 0.00 2.58 3.38 -1.23 0.36 115.31 121.17 1ml4 h LEU 140 Ca 0.29 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 1ml4 h LEU 140 Cb 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ml4 h LEU 140 CO -0.28 0.35 -0.78 0.17 0.09 0.00 0.00 178.44 177.99 1ml4 h LEU 141 N 0.40 0.00 -0.25 1.67 8.10 -0.52 -2.73 115.31 121.98 1ml4 h LEU 141 Ca 0.10 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.98 1ml4 h LEU 141 Cb 0.11 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.33 1ml4 h LEU 141 CO -0.01 0.38 -0.27 0.44 -4.11 0.00 0.00 178.44 174.88 1ml4 h ASP 142 N 0.00 0.68 -0.16 0.17 3.32 0.40 -1.64 116.42 119.17 1ml4 h ASP 142 Ca -0.05 -0.48 -0.10 0.00 0.02 0.00 0.00 57.03 56.42 1ml4 h ASP 142 Cb 1.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1ml4 h ASP 142 CO 0.04 1.02 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.29 1ml4 h LEU 143 N 0.35 0.61 -0.38 1.55 3.38 -1.03 -0.73 115.31 119.06 1ml4 h LEU 143 Ca 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1ml4 h LEU 143 Cb 0.83 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1ml4 h LEU 143 CO 0.07 0.82 0.18 0.22 0.09 0.00 0.00 178.44 179.82 1ml4 h TYR 144 N 0.54 0.54 -0.51 1.13 5.03 -1.40 -1.20 116.97 121.10 1ml4 h TYR 144 Ca 0.08 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 1ml4 h TYR 144 Cb 0.67 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.76 1ml4 h TYR 144 CO 0.03 0.46 0.23 1.15 -1.32 0.00 0.00 178.16 178.70 1ml4 h THR 145 N 0.47 1.21 -0.07 1.81 2.02 -0.95 0.81 112.91 118.21 1ml4 h THR 145 Ca 0.13 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1ml4 h THR 145 Cb 0.12 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1ml4 h THR 145 CO -0.02 0.24 0.02 0.40 0.37 0.00 0.00 175.52 176.54 1ml4 h ILE 146 N 0.69 1.15 -0.73 3.11 2.04 -0.94 0.24 117.51 123.08 1ml4 h ILE 146 Ca 0.17 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1ml4 h ILE 146 Cb 0.16 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1ml4 h ILE 146 CO -0.02 0.13 0.32 0.50 0.00 0.00 0.00 178.15 179.09 1ml4 h LYS 147 N -0.06 1.06 -0.58 2.37 3.64 -1.15 0.15 116.57 122.00 1ml4 h LYS 147 Ca 0.02 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 1ml4 h LYS 147 Cb 0.19 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1ml4 h LYS 147 CO -0.00 0.84 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.78 1ml4 h LYS 148 N 1.05 1.01 0.11 1.90 1.63 -0.52 0.11 116.57 121.86 1ml4 h LYS 148 Ca 0.25 -0.32 -0.14 0.00 -0.85 0.00 0.00 60.65 59.58 1ml4 h LYS 148 Cb 0.15 -0.09 0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1ml4 h LYS 148 CO -0.03 1.00 -0.63 0.93 -3.45 0.00 0.00 179.45 177.27 1ml4 h GLU 149 N 0.93 0.24 -0.60 1.90 4.39 -0.10 -3.31 114.58 118.02 1ml4 h GLU 149 Ca 0.16 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1ml4 h GLU 149 Cb 0.56 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1ml4 h GLU 149 CO 0.03 1.19 0.00 1.19 -1.16 0.00 0.00 179.01 180.26 1ml4 n PHE 150 N -4.23 0.95 0.00 4.33 3.72 0.49 -4.90 117.46 117.81 1ml4 n PHE 150 Ca -0.13 -0.42 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 1ml4 n PHE 150 Cb 0.75 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 1ml4 n PHE 150 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ml4 n GLY 151 N 1.23 0.54 3.16 1.37 0.00 0.36 -4.79 105.19 107.07 1ml4 n GLY 151 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 1ml4 n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ml4 s ARG 152 N 0.00 0.76 0.00 1.61 1.81 -1.16 -4.76 118.95 117.22 1ml4 s ARG 152 Ca 0.00 -1.06 0.00 0.00 -1.72 0.00 0.00 55.73 52.95 1ml4 s ARG 152 Cb 0.00 0.29 0.00 0.00 -0.45 0.00 0.00 34.95 34.79 1ml4 s ARG 152 CO 0.00 -0.21 0.39 0.44 -0.68 0.00 0.00 175.30 175.24 1ml4 n ILE 153 N -0.00 0.00 -0.85 1.52 -5.35 -1.26 -4.57 119.36 108.85 1ml4 n ILE 153 Ca -0.14 0.75 -0.29 0.00 -0.27 0.00 0.00 62.75 62.80 1ml4 n ILE 153 Cb 0.62 -1.47 0.21 0.00 -1.74 0.00 0.00 39.64 37.26 1ml4 n ILE 153 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1ml4 s ASP 154 N -1.81 1.82 -0.04 7.28 1.01 -1.26 -4.21 116.67 119.45 1ml4 s ASP 154 Ca 0.00 1.39 0.00 0.00 0.71 0.00 0.00 52.55 54.65 1ml4 s ASP 154 Cb 0.00 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.82 1ml4 s ASP 154 CO 0.00 -3.66 0.00 0.61 0.21 0.00 0.00 175.17 172.33 1ml4 n GLY 155 N -0.12 0.47 3.79 0.21 0.00 -0.02 -5.01 105.19 104.52 1ml4 n GLY 155 Ca 0.04 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1ml4 n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ml4 s LEU 156 N -0.09 3.81 -0.32 0.99 2.01 -1.25 -5.02 118.68 118.81 1ml4 s LEU 156 Ca 0.00 -0.09 -0.04 0.00 0.01 0.00 0.00 54.13 54.01 1ml4 s LEU 156 Cb 0.00 -2.44 0.04 0.00 0.01 0.00 0.00 46.19 43.80 1ml4 s LEU 156 CO 0.00 0.10 0.05 -0.54 1.01 0.00 0.00 176.35 176.97 1ml4 s LYS 157 N -2.87 2.53 -0.16 1.70 3.01 -1.26 -1.77 119.74 120.92 1ml4 s LYS 157 Ca 0.30 -1.21 -0.05 0.00 -1.01 0.00 0.00 55.97 54.00 1ml4 s LYS 157 Cb -0.11 -3.31 -0.03 0.00 -1.01 0.00 0.00 37.83 33.37 1ml4 s LYS 157 CO 0.23 -0.63 0.01 0.42 0.51 0.00 0.00 175.35 175.89 1ml4 s ILE 158 N 1.33 4.33 -0.15 2.17 1.01 -0.63 -0.43 121.20 128.83 1ml4 s ILE 158 Ca -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 1ml4 s ILE 158 Cb -0.20 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 1ml4 s ILE 158 CO 0.01 0.49 -0.14 -0.83 0.00 0.00 0.00 174.94 174.47 1ml4 s GLY 159 N 0.25 1.51 -0.26 6.18 0.00 0.13 -0.14 107.32 115.00 1ml4 s GLY 159 Ca 0.00 -0.98 -0.07 0.00 0.00 0.00 0.00 44.72 43.67 1ml4 s GLY 159 CO 0.02 -0.05 0.06 1.08 0.00 0.00 0.00 173.10 174.21 1ml4 s LEU 160 N 0.64 3.46 0.00 0.66 1.43 0.19 -0.49 118.68 124.58 1ml4 s LEU 160 Ca -0.07 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1ml4 s LEU 160 Cb -0.16 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1ml4 s LEU 160 CO 0.03 -0.06 -0.16 -0.22 0.23 0.00 0.00 176.35 176.16 1ml4 s LEU 161 N 1.58 2.66 0.00 1.79 2.96 -0.48 -0.68 118.68 126.51 1ml4 s LEU 161 Ca 0.06 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1ml4 s LEU 161 Cb -0.15 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1ml4 s LEU 161 CO 0.03 0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.96 1ml4 n GLY 162 N 1.86 0.51 3.55 7.98 0.00 -0.72 -1.68 105.19 116.69 1ml4 n GLY 162 Ca -0.16 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 1ml4 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ml4 s ASP 163 N -4.00 6.85 0.17 1.61 -1.08 -1.26 -4.53 116.67 114.43 1ml4 s ASP 163 Ca 0.00 -2.45 0.26 0.00 -0.52 0.00 0.00 52.55 49.83 1ml4 s ASP 163 Cb 0.00 -2.53 0.73 0.00 -1.46 0.00 0.00 42.92 39.65 1ml4 s ASP 163 CO 0.00 -1.11 1.68 0.18 0.52 0.00 0.00 175.17 176.44 1ml4 n LEU 164 N 7.80 0.74 -0.03 -1.34 4.77 -0.90 -1.93 117.00 126.11 1ml4 n LEU 164 Ca 0.44 0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 56.78 1ml4 n LEU 164 Cb 0.46 -0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 41.14 1ml4 n LEU 164 CO 0.72 -0.14 0.51 0.50 -1.33 0.00 0.00 177.39 177.65 1ml4 h LYS 165 N 0.00 -0.02 -0.00 3.23 3.64 -1.48 -3.37 116.57 118.57 1ml4 h LYS 165 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ml4 h LYS 165 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1ml4 h LYS 165 CO 0.00 0.66 -0.87 0.66 -2.27 0.00 0.00 179.45 177.63 1ml4 n TYR 166 N -4.76 0.00 -2.26 1.91 4.01 -1.25 -4.81 117.16 109.99 1ml4 n TYR 166 Ca -0.09 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.30 1ml4 n TYR 166 Cb 0.34 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.33 1ml4 n TYR 166 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ml4 s GLY 167 N -2.85 0.58 0.57 2.72 0.00 -0.81 -4.56 107.32 102.96 1ml4 s GLY 167 Ca 0.10 -1.54 0.27 0.00 0.00 0.00 0.00 44.72 43.55 1ml4 s GLY 167 CO 0.79 3.14 2.04 0.07 0.00 0.00 0.00 173.10 179.14 1ml4 h ARG 168 N 11.40 0.00 -0.47 2.90 0.11 -1.78 -1.99 114.38 124.54 1ml4 h ARG 168 Ca 0.01 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 1ml4 h ARG 168 Cb 1.04 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.10 1ml4 h ARG 168 CO 1.28 0.00 0.21 1.79 0.10 0.00 0.00 179.97 183.36 1ml4 h THR 169 N 0.00 1.20 0.00 0.08 1.35 -1.87 -2.74 112.91 110.92 1ml4 h THR 169 Ca 0.15 -0.57 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 1ml4 h THR 169 Cb 0.70 0.70 -0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1ml4 h THR 169 CO -0.00 0.22 -0.20 -0.37 -0.25 0.00 0.00 175.52 174.91 1ml4 h VAL 170 N 0.62 0.05 -0.29 6.82 -1.51 -1.75 -1.84 116.25 118.35 1ml4 h VAL 170 Ca 0.16 -1.07 -0.05 0.00 -1.23 0.00 0.00 66.70 64.50 1ml4 h VAL 170 Cb 0.15 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 1ml4 h VAL 170 CO -0.02 0.03 -0.03 0.45 -1.23 0.00 0.00 177.57 176.78 1ml4 h HIS 171 N 0.00 0.59 -0.06 5.19 -0.00 -1.29 -1.39 115.15 118.20 1ml4 h HIS 171 Ca -0.00 -0.11 -0.11 0.00 -0.00 0.00 0.00 60.37 60.15 1ml4 h HIS 171 Cb 1.03 -0.15 0.01 0.00 -0.00 0.00 0.00 27.41 28.29 1ml4 h HIS 171 CO 0.00 0.70 -0.38 0.77 -0.00 0.00 0.00 177.93 179.02 1ml4 h SER 172 N 0.32 0.43 -1.01 2.45 0.02 -1.54 -3.10 113.55 111.12 1ml4 h SER 172 Ca 0.08 -0.68 0.06 0.00 -0.84 0.00 0.00 61.79 60.41 1ml4 h SER 172 Cb 0.48 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.82 1ml4 h SER 172 CO 0.02 1.04 0.65 0.25 -1.14 0.00 0.00 176.83 177.65 1ml4 h LEU 173 N -0.15 1.05 -0.44 5.07 5.85 -1.34 -0.55 115.31 124.80 1ml4 h LEU 173 Ca -0.03 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1ml4 h LEU 173 Cb 1.05 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1ml4 h LEU 173 CO 0.08 0.68 0.00 0.00 -0.34 0.00 0.00 178.44 178.86 1ml4 h ALA 174 N 1.45 0.60 -0.76 1.25 0.00 -1.33 -2.49 119.26 117.98 1ml4 h ALA 174 Ca 0.43 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ml4 h ALA 174 Cb 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1ml4 h ALA 174 CO -0.17 0.39 0.33 0.93 0.00 0.00 0.00 179.25 180.74 1ml4 h GLU 175 N 0.63 1.11 -0.50 0.00 5.08 -1.28 -2.96 114.58 116.66 1ml4 h GLU 175 Ca 0.13 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1ml4 h GLU 175 Cb 0.49 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1ml4 h GLU 175 CO 0.02 0.89 0.03 0.00 -1.00 0.00 0.00 179.01 178.95 1ml4 h ALA 176 N 1.17 0.68 0.00 3.43 0.00 -1.05 -2.61 119.26 120.87 1ml4 h ALA 176 Ca 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ml4 h ALA 176 Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ml4 h ALA 176 CO -0.03 0.46 0.11 1.28 0.00 0.00 0.00 179.25 181.07 1ml4 n LEU 177 N -4.35 0.23 -0.13 0.00 4.77 -0.94 -2.09 117.00 114.49 1ml4 n LEU 177 Ca 0.01 0.54 0.15 0.00 -0.03 0.00 0.00 56.01 56.69 1ml4 n LEU 177 Cb 0.30 -0.55 0.53 0.00 -2.33 0.00 0.00 43.42 41.36 1ml4 n LEU 177 CO 0.42 -0.62 1.20 0.00 -1.33 0.00 0.00 177.39 177.06 1ml4 h THR 178 N 0.00 0.80 -0.00 -5.08 1.03 -1.50 0.72 112.91 108.88 1ml4 h THR 178 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.28 1ml4 h THR 178 Cb 0.22 0.41 0.00 0.00 -1.07 0.00 0.00 68.15 67.71 1ml4 h THR 178 CO 0.00 0.07 -0.02 0.49 -0.01 0.00 0.00 175.52 176.05 1ml4 n PHE 179 N -4.46 0.00 -4.66 0.00 3.01 -0.89 -4.84 117.46 105.62 1ml4 n PHE 179 Ca 0.13 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.29 1ml4 n PHE 179 Cb 0.51 -0.21 -0.13 0.00 -0.01 0.00 0.00 39.48 39.64 1ml4 n PHE 179 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1ml4 s TYR 180 N -2.44 2.47 -1.06 1.38 1.51 0.24 -5.04 117.35 114.42 1ml4 s TYR 180 Ca 0.33 -0.31 -0.22 0.00 -1.01 0.00 0.00 57.07 55.86 1ml4 s TYR 180 Cb 0.21 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.68 1ml4 s TYR 180 CO 0.44 0.24 1.56 0.34 -1.11 0.00 0.00 175.55 177.02 1ml4 s ASP 181 N -1.52 6.40 0.06 2.29 2.15 -1.26 -4.93 116.67 119.85 1ml4 s ASP 181 Ca 0.14 -1.55 -0.04 0.00 0.43 0.00 0.00 52.55 51.53 1ml4 s ASP 181 Cb -0.10 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.92 1ml4 s ASP 181 CO 0.05 -1.60 0.05 0.68 -0.17 0.00 0.00 175.17 174.18 1ml4 s VAL 182 N 5.47 0.18 -0.35 1.11 -7.23 -1.26 -0.84 120.40 117.47 1ml4 s VAL 182 Ca 0.50 -1.46 -0.12 0.00 -1.81 0.00 0.00 61.98 59.10 1ml4 s VAL 182 Cb 0.00 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.65 1ml4 s VAL 182 CO -0.06 -0.80 0.21 -1.61 -0.31 0.00 0.00 175.10 172.53 1ml4 s GLU 183 N -3.53 3.18 -0.06 4.82 2.02 -0.73 -4.46 118.70 119.94 1ml4 s GLU 183 Ca 0.03 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 54.02 1ml4 s GLU 183 Cb 0.05 -3.73 -0.05 0.00 0.10 0.00 0.00 34.13 30.50 1ml4 s GLU 183 CO -0.09 -0.55 0.41 -1.17 0.02 0.00 0.00 175.26 173.88 1ml4 s LEU 184 N 1.63 4.38 -0.17 1.80 2.96 -0.64 -1.60 118.68 127.04 1ml4 s LEU 184 Ca 0.04 0.85 0.01 0.00 -0.22 0.00 0.00 54.13 54.81 1ml4 s LEU 184 Cb -0.18 -2.58 0.02 0.00 0.50 0.00 0.00 46.19 43.95 1ml4 s LEU 184 CO 0.08 0.20 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.83 1ml4 s TYR 185 N -0.35 2.54 -0.48 5.38 2.02 0.80 -2.03 117.35 125.22 1ml4 s TYR 185 Ca 0.23 -1.51 -0.11 0.00 -0.37 0.00 0.00 57.07 55.31 1ml4 s TYR 185 Cb -0.16 -1.77 0.12 0.00 -0.40 0.00 0.00 41.96 39.75 1ml4 s TYR 185 CO 0.11 -0.75 0.38 -0.51 -1.57 0.00 0.00 175.55 173.21 1ml4 s LEU 186 N 1.37 5.79 -0.26 -1.29 1.02 -0.33 0.57 118.68 125.54 1ml4 s LEU 186 Ca 0.04 -1.85 -0.11 0.00 0.02 0.00 0.00 54.13 52.23 1ml4 s LEU 186 Cb -0.14 -2.06 -0.05 0.00 0.02 0.00 0.00 46.19 43.96 1ml4 s LEU 186 CO -0.11 -0.72 0.18 -0.63 0.02 0.00 0.00 176.35 175.08 1ml4 s ILE 187 N 1.43 5.33 -0.17 -0.59 1.09 0.14 -1.39 121.20 127.04 1ml4 s ILE 187 Ca 0.05 0.18 -0.34 0.00 -1.10 0.00 0.00 60.65 59.44 1ml4 s ILE 187 Cb -0.27 -3.52 0.13 0.00 -1.06 0.00 0.00 42.46 37.75 1ml4 s ILE 187 CO 0.00 0.29 1.17 -0.94 -0.10 0.00 0.00 174.94 175.37 1ml4 s SER 188 N 1.44 -0.16 0.83 3.58 1.04 -0.29 -1.76 113.70 118.37 1ml4 s SER 188 Ca 0.07 -0.00 -0.13 0.00 0.48 0.00 0.00 55.95 56.37 1ml4 s SER 188 Cb -0.15 0.17 0.08 0.00 0.10 0.00 0.00 66.02 66.22 1ml4 s SER 188 CO 0.08 -0.27 1.06 -2.65 0.98 0.00 0.00 173.24 172.43 1ml4 n PRO 189 N -0.11 0.06 0.22 4.02 -0.02 -1.26 -4.22 135.00 133.69 1ml4 n PRO 189 Ca -0.01 0.09 0.15 0.00 -2.02 0.00 0.00 63.50 61.72 1ml4 n PRO 189 Cb 0.59 -2.32 0.67 0.00 -0.02 0.00 0.00 33.50 32.42 1ml4 n PRO 189 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ml4 h GLU 190 N -1.05 0.00 0.00 -0.52 4.81 -1.96 -1.32 114.58 114.54 1ml4 h GLU 190 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1ml4 h GLU 190 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1ml4 h GLU 190 CO 0.44 0.00 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.53 1ml4 h LEU 191 N 0.00 0.00 -3.44 1.64 3.38 -2.01 -3.31 115.31 111.57 1ml4 h LEU 191 Ca 0.00 -0.04 -0.29 0.00 0.09 0.00 0.00 57.88 57.64 1ml4 h LEU 191 Cb 0.35 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.86 1ml4 h LEU 191 CO 0.00 0.02 -0.69 0.18 0.09 0.00 0.00 178.44 178.04 1ml4 n LEU 192 N -2.28 3.77 -4.78 1.67 4.77 -0.50 -4.93 117.00 114.71 1ml4 n LEU 192 Ca 0.05 -4.27 -0.32 0.00 -0.03 0.00 0.00 56.01 51.44 1ml4 n LEU 192 Cb 0.44 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1ml4 n LEU 192 CO 0.32 1.74 0.72 -0.13 -1.33 0.00 0.00 177.39 178.70 1ml4 s ARG 193 N -3.37 2.74 0.40 3.23 0.52 -1.19 -2.11 118.95 119.18 1ml4 s ARG 193 Ca 0.44 1.20 -0.27 0.00 -0.52 0.00 0.00 55.73 56.59 1ml4 s ARG 193 Cb 0.39 -1.95 -0.09 0.00 0.52 0.00 0.00 34.95 33.81 1ml4 s ARG 193 CO -0.02 -1.27 1.38 1.41 0.02 0.00 0.00 175.30 176.82 1ml4 s MET 194 N -4.53 3.95 -0.31 3.54 -2.45 -1.26 -3.28 119.30 114.97 1ml4 s MET 194 Ca 0.63 2.33 -0.40 0.00 -1.25 0.00 0.00 55.69 57.00 1ml4 s MET 194 Cb -0.17 -2.81 -0.16 0.00 1.25 0.00 0.00 34.83 32.94 1ml4 s MET 194 CO 0.48 -0.57 1.79 -2.30 1.05 0.00 0.00 175.02 175.48 1ml4 n PRO 195 N 0.17 1.06 -0.32 4.11 -0.02 -1.26 -4.79 135.00 133.95 1ml4 n PRO 195 Ca 0.03 0.38 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 1ml4 n PRO 195 Cb 0.42 -2.09 0.11 0.00 -0.02 0.00 0.00 33.50 31.92 1ml4 n PRO 195 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ml4 h ARG 196 N 7.63 -0.00 -0.65 -0.52 3.08 -2.00 0.37 114.38 122.30 1ml4 h ARG 196 Ca -0.43 0.00 0.13 0.00 0.07 0.00 0.00 59.98 59.75 1ml4 h ARG 196 Cb 1.32 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.27 1ml4 h ARG 196 CO 0.97 -0.00 0.09 1.12 -1.07 0.00 0.00 179.97 181.08 1ml4 h HIS 197 N -0.00 0.12 -0.18 3.04 2.07 -1.99 0.34 115.15 118.55 1ml4 h HIS 197 Ca 0.42 0.04 -0.02 0.00 -2.85 0.00 0.00 60.37 57.97 1ml4 h HIS 197 Cb 0.65 0.05 -0.01 0.00 2.57 0.00 0.00 27.41 30.67 1ml4 h HIS 197 CO -0.71 -0.11 0.04 0.97 -3.07 0.00 0.00 177.93 175.05 1ml4 h ILE 198 N 0.20 1.21 -0.25 6.12 -0.00 -1.29 0.58 117.51 124.08 1ml4 h ILE 198 Ca 0.35 -0.66 -0.04 0.00 -0.00 0.00 0.00 64.86 64.50 1ml4 h ILE 198 Cb 0.57 1.31 -0.01 0.00 -0.00 0.00 0.00 36.82 38.68 1ml4 h ILE 198 CO -0.49 0.20 -0.03 -0.37 -0.00 0.00 0.00 178.15 177.46 1ml4 h VAL 199 N 0.10 1.17 0.87 2.19 -1.51 -0.95 -1.83 116.25 116.29 1ml4 h VAL 199 Ca 0.06 -0.70 -0.04 0.00 -1.23 0.00 0.00 66.70 64.78 1ml4 h VAL 199 Cb 0.27 1.02 0.01 0.00 -2.13 0.00 0.00 31.29 30.47 1ml4 h VAL 199 CO 0.00 0.23 -0.42 -0.33 -1.23 0.00 0.00 177.57 175.83 1ml4 h GLU 200 N 0.37 -1.13 -0.64 5.19 5.08 0.10 -2.95 114.58 120.60 1ml4 h GLU 200 Ca 0.08 0.08 0.13 0.00 -1.00 0.00 0.00 59.36 58.65 1ml4 h GLU 200 Cb 0.30 0.26 -0.10 0.00 0.50 0.00 0.00 28.75 29.71 1ml4 h GLU 200 CO 0.01 -0.75 0.07 1.49 -1.00 0.00 0.00 179.01 178.83 1ml4 h GLU 201 N -1.26 0.17 0.00 2.33 4.22 -0.66 0.31 114.58 119.69 1ml4 h GLU 201 Ca -0.12 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.31 1ml4 h GLU 201 Cb 0.90 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1ml4 h GLU 201 CO 0.20 0.11 -0.02 -0.07 -2.18 0.00 0.00 179.01 177.05 1ml4 h LEU 202 N 0.18 0.00 0.00 1.64 3.38 -1.34 0.52 115.31 119.68 1ml4 h LEU 202 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1ml4 h LEU 202 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ml4 h LEU 202 CO -0.50 0.02 -1.05 0.54 0.09 0.00 0.00 178.44 177.55 1ml4 n ARG 203 N -4.19 0.30 0.13 1.13 1.74 -0.11 -1.12 116.66 114.54 1ml4 n ARG 203 Ca -0.03 -0.01 0.13 0.00 -0.77 0.00 0.00 57.85 57.17 1ml4 n ARG 203 Cb 0.11 -1.59 0.45 0.00 -1.02 0.00 0.00 32.46 30.41 1ml4 n ARG 203 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1ml4 h GLU 204 N 0.00 0.00 -0.01 5.56 5.08 0.18 -2.53 114.58 122.86 1ml4 h GLU 204 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ml4 h GLU 204 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1ml4 h GLU 204 CO 0.00 0.00 -0.17 1.17 -1.00 0.00 0.00 179.01 179.01 1ml4 n LYS 205 N -2.34 1.55 -0.18 2.33 4.81 -0.73 -5.01 118.16 118.59 1ml4 n LYS 205 Ca 0.04 -0.89 0.00 0.00 -0.87 0.00 0.00 58.31 56.58 1ml4 n LYS 205 Cb 0.33 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.19 1ml4 n LYS 205 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ml4 n GLY 206 N 0.91 1.48 3.61 3.14 0.00 -0.95 -5.10 105.19 108.28 1ml4 n GLY 206 Ca 0.06 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1ml4 n GLY 206 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ml4 s MET 207 N -0.86 3.88 -0.56 1.61 0.00 -0.28 -4.99 119.30 118.09 1ml4 s MET 207 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 55.69 55.05 1ml4 s MET 207 Cb 0.00 -3.14 -0.03 0.00 0.00 0.00 0.00 34.83 31.66 1ml4 s MET 207 CO 0.00 0.29 1.99 0.21 0.00 0.00 0.00 175.02 177.51 1ml4 s LYS 208 N 0.30 2.55 -0.23 4.11 2.20 -1.26 -4.41 119.74 123.00 1ml4 s LYS 208 Ca 0.02 0.87 0.02 0.00 -0.36 0.00 0.00 55.97 56.51 1ml4 s LYS 208 Cb -0.13 -4.42 0.04 0.00 -1.51 0.00 0.00 37.83 31.81 1ml4 s LYS 208 CO 0.01 -2.80 -0.14 0.08 -0.36 0.00 0.00 175.35 172.14 1ml4 s VAL 209 N 9.67 2.18 -0.16 4.02 1.01 -1.26 -1.63 120.40 134.23 1ml4 s VAL 209 Ca 0.75 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1ml4 s VAL 209 Cb -0.14 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1ml4 s VAL 209 CO 0.23 0.21 -0.12 0.54 0.00 0.00 0.00 175.10 175.95 1ml4 s VAL 210 N 1.19 2.95 -0.28 2.92 0.11 -0.86 -5.01 120.40 121.41 1ml4 s VAL 210 Ca -0.03 -0.67 -0.13 0.00 -2.93 0.00 0.00 61.98 58.22 1ml4 s VAL 210 Cb -0.17 -2.26 -0.04 0.00 -1.53 0.00 0.00 36.38 32.37 1ml4 s VAL 210 CO -0.08 0.50 0.26 -1.61 -3.33 0.00 0.00 175.10 170.84 1ml4 s GLU 211 N 0.78 3.92 0.22 1.54 2.02 -1.26 -1.18 118.70 124.73 1ml4 s GLU 211 Ca -0.05 -0.23 0.03 0.00 0.02 0.00 0.00 54.97 54.74 1ml4 s GLU 211 Cb -0.15 -3.68 -0.05 0.00 0.10 0.00 0.00 34.13 30.35 1ml4 s GLU 211 CO 0.01 -0.25 -0.00 -0.08 0.02 0.00 0.00 175.26 174.95 1ml4 s THR 212 N 1.87 0.98 -0.16 3.63 -1.32 -0.49 -4.99 115.64 115.17 1ml4 s THR 212 Ca 0.10 -2.03 0.12 0.00 -1.21 0.00 0.00 61.69 58.67 1ml4 s THR 212 Cb -0.16 -2.30 -0.18 0.00 -1.51 0.00 0.00 72.50 68.34 1ml4 s THR 212 CO 0.11 -0.35 0.02 0.35 -2.21 0.00 0.00 174.62 172.53 1ml4 n THR 213 N -0.39 1.08 -3.48 5.08 -2.24 -1.26 -1.14 114.28 111.93 1ml4 n THR 213 Ca -0.05 -0.62 -0.38 0.00 -2.27 0.00 0.00 64.05 60.72 1ml4 n THR 213 Cb 0.64 -0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 68.08 1ml4 n THR 213 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ml4 s THR 214 N -2.38 5.24 0.14 4.28 -4.23 -1.26 -4.57 115.64 112.86 1ml4 s THR 214 Ca -0.11 0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 60.70 1ml4 s THR 214 Cb 0.05 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.25 1ml4 s THR 214 CO 0.61 0.22 1.54 0.25 -0.54 0.00 0.00 174.62 176.70 1ml4 h LEU 215 N 8.24 0.87 -2.83 4.79 5.85 -1.97 -3.08 115.31 127.19 1ml4 h LEU 215 Ca -0.34 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.00 1ml4 h LEU 215 Cb 1.17 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1ml4 h LEU 215 CO 0.63 1.05 0.02 -0.33 -0.34 0.00 0.00 178.44 179.47 1ml4 h GLU 216 N 0.69 0.00 -0.93 1.25 4.39 -1.95 0.12 114.58 118.16 1ml4 h GLU 216 Ca 0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1ml4 h GLU 216 Cb 0.69 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 1ml4 h GLU 216 CO 0.05 0.00 0.58 -0.44 -1.16 0.00 0.00 179.01 178.04 1ml4 h ASP 217 N 0.00 1.10 0.00 1.42 5.19 -1.97 -3.30 116.42 118.86 1ml4 h ASP 217 Ca 0.00 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1ml4 h ASP 217 Cb 0.04 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.27 1ml4 h ASP 217 CO 0.00 0.83 -1.11 0.52 -3.12 0.00 0.00 179.24 176.36 1ml4 n VAL 218 N -4.37 0.00 -0.29 -1.35 0.31 -0.43 -4.76 118.33 107.44 1ml4 n VAL 218 Ca 0.10 -0.23 0.01 0.00 -0.01 0.00 0.00 64.34 64.21 1ml4 n VAL 218 Cb 0.05 0.51 0.08 0.00 -0.91 0.00 0.00 33.84 33.56 1ml4 n VAL 218 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ml4 h ILE 219 N 0.00 0.14 -0.47 2.52 1.08 -0.89 -2.42 117.51 117.46 1ml4 h ILE 219 Ca 0.00 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.61 1ml4 h ILE 219 Cb 0.35 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 1ml4 h ILE 219 CO 0.00 0.00 0.40 1.23 -0.69 0.00 0.00 178.15 179.09 1ml4 h GLY 220 N -0.03 0.00 -1.41 5.37 0.00 -1.72 -2.70 103.07 102.58 1ml4 h GLY 220 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1ml4 h GLY 220 CO -0.85 0.00 0.00 0.28 0.00 0.00 0.00 176.54 175.97 1ml4 n LYS 221 N -4.05 1.58 -2.64 4.80 5.02 -0.92 -4.16 118.16 117.80 1ml4 n LYS 221 Ca 0.09 -1.64 -0.40 0.00 -2.02 0.00 0.00 58.31 54.33 1ml4 n LYS 221 Cb 0.61 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 34.24 1ml4 n LYS 221 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ml4 s LEU 222 N -1.26 4.57 -0.22 -0.35 1.43 -1.02 -4.73 118.68 117.10 1ml4 s LEU 222 Ca 0.22 2.07 -0.03 0.00 -1.03 0.00 0.00 54.13 55.36 1ml4 s LEU 222 Cb 0.14 -3.67 -0.19 0.00 0.03 0.00 0.00 46.19 42.50 1ml4 s LEU 222 CO 0.21 -0.00 -0.06 0.47 0.23 0.00 0.00 176.35 177.19 1ml4 n ASP 223 N 1.23 2.01 -4.19 2.29 8.00 0.43 -4.52 116.55 121.80 1ml4 n ASP 223 Ca -0.01 0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.22 1ml4 n ASP 223 Cb 0.46 -0.59 -0.17 0.00 -0.02 0.00 0.00 41.12 40.81 1ml4 n ASP 223 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ml4 s VAL 224 N -2.52 1.80 -0.28 2.53 1.01 -0.87 -0.23 120.40 121.84 1ml4 s VAL 224 Ca -0.32 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 60.78 1ml4 s VAL 224 Cb 0.09 -1.55 0.07 0.00 0.00 0.00 0.00 36.38 35.00 1ml4 s VAL 224 CO 0.64 0.50 -0.02 -0.22 0.00 0.00 0.00 175.10 176.00 1ml4 s LEU 225 N 0.15 3.28 -0.49 3.92 2.96 0.28 0.20 118.68 128.97 1ml4 s LEU 225 Ca -0.10 -1.53 -0.16 0.00 -0.22 0.00 0.00 54.13 52.13 1ml4 s LEU 225 Cb -0.15 -1.34 0.09 0.00 0.50 0.00 0.00 46.19 45.29 1ml4 s LEU 225 CO 0.05 -0.28 0.43 -0.47 -1.32 0.00 0.00 176.35 174.76 1ml4 s TYR 226 N 1.23 3.24 0.27 5.38 6.14 0.35 0.09 117.35 134.05 1ml4 s TYR 226 Ca -0.00 -1.01 -0.16 0.00 0.64 0.00 0.00 57.07 56.54 1ml4 s TYR 226 Cb -0.19 -3.34 -0.08 0.00 0.42 0.00 0.00 41.96 38.76 1ml4 s TYR 226 CO -0.09 -0.86 0.70 0.08 0.64 0.00 0.00 175.55 176.02 1ml4 s VAL 227 N 1.67 4.69 0.31 3.14 1.01 0.00 -1.38 120.40 129.83 1ml4 s VAL 227 Ca 0.04 0.99 0.05 0.00 0.00 0.00 0.00 61.98 63.06 1ml4 s VAL 227 Cb -0.26 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1ml4 s VAL 227 CO 0.06 -0.02 0.01 0.42 0.00 0.00 0.00 175.10 175.57 1ml4 s THR 228 N -1.78 1.44 -0.04 3.92 -4.23 -0.68 -4.08 115.64 110.19 1ml4 s THR 228 Ca 0.49 -2.05 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 1ml4 s THR 228 Cb -0.13 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1ml4 s THR 228 CO 0.19 -0.13 0.11 -0.60 -0.54 0.00 0.00 174.62 173.64 1ml4 s ARG 229 N -3.81 3.22 -0.25 3.99 3.52 -1.26 -4.63 118.95 119.74 1ml4 s ARG 229 Ca 0.33 -0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 55.29 1ml4 s ARG 229 Cb 0.07 -2.98 -0.01 0.00 -1.56 0.00 0.00 34.95 30.46 1ml4 s ARG 229 CO 0.14 0.69 1.46 0.42 -0.81 0.00 0.00 175.30 177.20 1ml4 s ILE 230 N -1.14 3.92 -0.60 4.11 1.01 -1.26 -4.53 121.20 122.71 1ml4 s ILE 230 Ca 0.21 1.05 -0.07 0.00 0.00 0.00 0.00 60.65 61.84 1ml4 s ILE 230 Cb -0.12 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 1ml4 s ILE 230 CO 0.11 -0.35 1.75 0.00 0.00 0.00 0.00 174.94 176.45 1ml4 n GLN 231 N 7.42 1.35 -0.34 2.79 1.13 -1.26 -4.75 117.38 123.72 1ml4 n GLN 231 Ca 0.17 -1.20 0.21 0.00 -1.94 0.00 0.00 57.00 54.24 1ml4 n GLN 231 Cb 0.46 -2.37 0.40 0.00 0.11 0.00 0.00 30.24 28.84 1ml4 n GLN 231 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1ml4 h LYS 232 N 7.09 0.01 0.00 -1.09 3.64 -1.99 0.30 116.57 124.53 1ml4 h LYS 232 Ca 0.34 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1ml4 h LYS 232 Cb 0.18 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1ml4 h LYS 232 CO 1.39 0.00 0.00 -0.85 -2.27 0.00 0.00 179.45 177.72 1ml4 n GLU 233 N -5.41 0.17 -0.01 1.90 0.00 -1.26 -2.65 120.64 113.38 1ml4 n GLU 233 Ca 0.29 0.17 0.10 0.00 0.00 0.00 0.00 57.16 57.72 1ml4 n GLU 233 Cb 0.95 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.75 1ml4 n GLU 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1ml4 n ARG 234 N -1.31 0.49 -2.06 3.44 5.12 0.11 -4.99 116.66 117.46 1ml4 n ARG 234 Ca 0.06 -0.11 -0.36 0.00 -1.93 0.00 0.00 57.85 55.51 1ml4 n ARG 234 Cb 0.11 -1.48 0.03 0.00 -1.16 0.00 0.00 32.46 29.96 1ml4 n ARG 234 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1ml4 s PHE 235 N -3.22 2.45 0.34 -1.55 0.40 -1.09 -4.92 117.98 110.40 1ml4 s PHE 235 Ca -0.01 1.52 0.08 0.00 -0.60 0.00 0.00 56.93 57.92 1ml4 s PHE 235 Cb 0.14 -3.45 0.79 0.00 0.51 0.00 0.00 43.02 41.01 1ml4 s PHE 235 CO 0.85 -2.10 1.85 -1.35 0.70 0.00 0.00 175.22 175.18 1ml4 h PRO 236 N 0.98 0.70 -2.73 0.24 0.11 -1.94 -3.45 132.00 125.92 1ml4 h PRO 236 Ca -0.50 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.66 1ml4 h PRO 236 Cb 1.29 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1ml4 h PRO 236 CO 0.56 0.47 0.37 0.16 -0.21 0.00 0.00 178.00 179.35 1ml4 s ASP 237 N -5.72 -0.13 0.31 -2.05 3.84 -1.26 -5.04 116.67 106.62 1ml4 s ASP 237 Ca -0.10 -0.69 0.01 0.00 -0.00 0.00 0.00 52.55 51.77 1ml4 s ASP 237 Cb 0.22 0.65 0.50 0.00 -1.38 0.00 0.00 42.92 42.91 1ml4 s ASP 237 CO 0.79 -1.24 1.86 1.05 -0.00 0.00 0.00 175.17 177.63 1ml4 h GLU 238 N 2.00 0.71 -0.97 2.11 9.09 -1.93 -2.70 114.58 122.88 1ml4 h GLU 238 Ca -0.25 -0.14 0.05 0.00 0.05 0.00 0.00 59.36 59.08 1ml4 h GLU 238 Cb 1.24 -0.11 -0.06 0.00 -1.65 0.00 0.00 28.75 28.17 1ml4 h GLU 238 CO 0.30 0.65 0.63 1.96 0.05 0.00 0.00 179.01 182.60 1ml4 h GLN 239 N 0.68 1.14 0.00 1.06 7.50 -1.98 0.34 115.11 123.84 1ml4 h GLN 239 Ca 0.15 -0.07 -0.04 0.00 0.50 0.00 0.00 58.65 59.19 1ml4 h GLN 239 Cb 0.28 -0.26 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 1ml4 h GLN 239 CO -0.00 0.75 -0.21 0.93 -1.50 0.00 0.00 178.83 178.80 1ml4 h GLU 240 N 1.17 0.00 0.12 1.46 4.39 -1.89 -2.59 114.58 117.24 1ml4 h GLU 240 Ca 0.41 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.82 1ml4 h GLU 240 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1ml4 h GLU 240 CO -0.16 0.21 -1.39 -0.92 -1.16 0.00 0.00 179.01 175.59 1ml4 h TYR 241 N 0.00 0.46 0.00 4.33 3.20 -0.96 -3.30 116.97 120.70 1ml4 h TYR 241 Ca -0.00 -0.34 -0.02 0.00 3.14 0.00 0.00 58.73 61.52 1ml4 h TYR 241 Cb 0.38 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 1ml4 h TYR 241 CO 0.00 1.32 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.69 1ml4 h LEU 242 N 0.07 0.00 -0.09 2.82 3.38 -0.05 -1.30 115.31 120.14 1ml4 h LEU 242 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1ml4 h LEU 242 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1ml4 h LEU 242 CO 0.18 0.08 0.00 0.29 0.09 0.00 0.00 178.44 179.08 1ml4 n LYS 243 N -3.48 0.14 0.00 1.13 5.02 -1.05 -3.35 118.16 116.56 1ml4 n LYS 243 Ca -0.02 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1ml4 n LYS 243 Cb 0.22 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 1ml4 n LYS 243 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1ml4 n VAL 244 N -1.92 0.33 -1.59 -0.18 0.24 -0.96 -5.07 118.33 109.18 1ml4 n VAL 244 Ca 0.05 -0.49 -0.38 0.00 -2.04 0.00 0.00 64.34 61.48 1ml4 n VAL 244 Cb 0.35 1.01 0.05 0.00 -1.47 0.00 0.00 33.84 33.78 1ml4 n VAL 244 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1ml4 n LYS 245 N -0.16 0.86 -3.44 7.34 4.81 -0.53 -3.22 118.16 123.81 1ml4 n LYS 245 Ca 0.00 0.33 -0.16 0.00 -0.87 0.00 0.00 58.31 57.61 1ml4 n LYS 245 Cb 0.21 -2.07 -0.05 0.00 0.02 0.00 0.00 35.03 33.15 1ml4 n LYS 245 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ml4 n GLY 246 N 1.37 -0.08 2.14 3.14 0.00 -1.26 -4.83 105.19 105.68 1ml4 n GLY 246 Ca 0.13 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 1ml4 n GLY 246 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ml4 n SER 247 N -1.29 6.02 0.00 1.61 7.64 -1.20 -4.93 113.62 121.48 1ml4 n SER 247 Ca -0.16 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 55.95 1ml4 n SER 247 Cb 0.35 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1ml4 n SER 247 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ml4 n TYR 248 N -0.79 0.00 -3.57 1.43 4.11 -1.26 -4.83 117.16 112.24 1ml4 n TYR 248 Ca 0.51 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 58.30 1ml4 n TYR 248 Cb 0.85 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 40.14 1ml4 n TYR 248 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 1ml4 s GLN 249 N -1.57 0.63 -0.14 -3.48 0.74 -1.26 -4.61 119.66 109.97 1ml4 s GLN 249 Ca 0.00 0.18 -0.00 0.00 0.05 0.00 0.00 55.36 55.58 1ml4 s GLN 249 Cb 0.00 0.30 -0.01 0.00 1.10 0.00 0.00 33.01 34.40 1ml4 s GLN 249 CO 0.00 -0.19 -0.13 0.08 -0.55 0.00 0.00 175.29 174.50 1ml4 s VAL 250 N -1.06 2.95 0.10 1.34 1.01 0.55 -4.93 120.40 120.35 1ml4 s VAL 250 Ca -0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1ml4 s VAL 250 Cb -0.01 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1ml4 s VAL 250 CO 0.02 0.51 0.14 -0.46 0.00 0.00 0.00 175.10 175.32 1ml4 n ASN 251 N 3.78 -0.39 -0.21 3.32 2.04 -1.26 -0.22 115.26 122.31 1ml4 n ASN 251 Ca -0.18 -1.50 -0.01 0.00 -0.44 0.00 0.00 54.58 52.45 1ml4 n ASN 251 Cb 0.52 0.72 0.21 0.00 -2.53 0.00 0.00 39.78 38.70 1ml4 n ASN 251 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 1ml4 h LEU 252 N 0.00 0.88 0.41 -4.53 3.38 -1.93 -2.20 115.31 111.32 1ml4 h LEU 252 Ca -0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1ml4 h LEU 252 Cb 0.32 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ml4 h LEU 252 CO 0.10 0.71 -0.21 0.50 0.09 0.00 0.00 178.44 179.63 1ml4 h LYS 253 N 0.99 -0.55 -0.45 1.13 3.64 -2.00 -2.11 116.57 117.22 1ml4 h LYS 253 Ca 0.25 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.74 1ml4 h LYS 253 Cb 0.02 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1ml4 h LYS 253 CO -0.04 -0.37 0.30 -0.39 -2.27 0.00 0.00 179.45 176.69 1ml4 h VAL 254 N -0.57 0.94 0.00 2.00 -1.51 -1.89 -0.51 116.25 114.71 1ml4 h VAL 254 Ca -0.05 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1ml4 h VAL 254 Cb 0.45 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 1ml4 h VAL 254 CO 0.08 0.06 0.00 0.18 -1.23 0.00 0.00 177.57 176.66 1ml4 n LEU 255 N -4.47 0.00 -0.12 4.19 4.32 -0.83 -3.58 117.00 116.51 1ml4 n LEU 255 Ca 0.06 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.93 1ml4 n LEU 255 Cb 0.29 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.06 1ml4 n LEU 255 CO 0.35 0.00 0.63 -0.33 -1.22 0.00 0.00 177.39 176.82 1ml4 h GLU 256 N 0.00 0.80 -1.03 3.23 5.08 -0.71 -3.08 114.58 118.87 1ml4 h GLU 256 Ca 0.00 -0.37 -0.42 0.00 -1.00 0.00 0.00 59.36 57.57 1ml4 h GLU 256 Cb 0.00 -0.01 -0.24 0.00 0.50 0.00 0.00 28.75 29.00 1ml4 h GLU 256 CO 0.00 1.00 0.54 1.63 -1.00 0.00 0.00 179.01 181.18 1ml4 n LYS 257 N -4.24 2.02 -4.41 2.33 5.02 -1.23 -4.94 118.16 112.71 1ml4 n LYS 257 Ca -0.02 -2.39 -0.33 0.00 -2.02 0.00 0.00 58.31 53.55 1ml4 n LYS 257 Cb 0.44 -1.94 -0.10 0.00 -0.02 0.00 0.00 35.03 33.42 1ml4 n LYS 257 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ml4 s ALA 258 N -2.64 3.13 0.58 7.82 0.00 -1.17 -2.62 121.76 126.86 1ml4 s ALA 258 Ca 0.45 -0.97 -0.20 0.00 0.00 0.00 0.00 51.96 51.25 1ml4 s ALA 258 Cb 0.38 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 1ml4 s ALA 258 CO 0.07 0.62 1.16 1.63 0.00 0.00 0.00 175.76 179.25 1ml4 n LYS 259 N 1.61 1.25 0.15 0.00 5.02 -1.26 -4.88 118.16 120.04 1ml4 n LYS 259 Ca -0.16 0.47 0.05 0.00 -2.02 0.00 0.00 58.31 56.66 1ml4 n LYS 259 Cb 0.53 -2.36 0.52 0.00 -0.02 0.00 0.00 35.03 33.69 1ml4 n LYS 259 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ml4 h ASP 260 N 0.91 0.19 0.07 4.39 3.32 -1.96 -1.67 116.42 121.66 1ml4 h ASP 260 Ca -0.49 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1ml4 h ASP 260 Cb 1.34 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1ml4 h ASP 260 CO 0.54 0.19 -0.09 -1.84 -1.72 0.00 0.00 179.24 176.31 1ml4 n GLU 261 N -4.45 1.41 -1.64 3.56 0.00 -1.26 -4.89 120.64 113.37 1ml4 n GLU 261 Ca -0.01 -0.85 -0.46 0.00 0.00 0.00 0.00 57.16 55.84 1ml4 n GLU 261 Cb 0.13 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 30.05 1ml4 n GLU 261 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1ml4 n LEU 262 N -0.05 2.55 -4.22 -1.84 7.94 -0.63 -4.93 117.00 115.82 1ml4 n LEU 262 Ca 0.16 1.14 -0.31 0.00 -1.11 0.00 0.00 56.01 55.89 1ml4 n LEU 262 Cb 0.37 -1.35 -0.17 0.00 0.53 0.00 0.00 43.42 42.79 1ml4 n LEU 262 CO 0.20 -0.77 -0.55 -0.13 -1.11 0.00 0.00 177.39 175.02 1ml4 s ARG 263 N -0.39 2.77 -0.17 1.96 1.81 0.68 -4.51 118.95 121.11 1ml4 s ARG 263 Ca 0.70 -0.85 -0.06 0.00 -1.72 0.00 0.00 55.73 53.80 1ml4 s ARG 263 Cb -0.72 -2.18 -0.03 0.00 -0.45 0.00 0.00 34.95 31.57 1ml4 s ARG 263 CO 0.50 0.24 0.01 -1.50 -0.68 0.00 0.00 175.30 173.88 1ml4 s ILE 264 N 0.18 4.36 0.41 1.52 -1.16 -0.52 -0.56 121.20 125.44 1ml4 s ILE 264 Ca -0.13 -0.19 0.07 0.00 -0.51 0.00 0.00 60.65 59.89 1ml4 s ILE 264 Cb -0.16 -2.94 -0.08 0.00 0.61 0.00 0.00 42.46 39.89 1ml4 s ILE 264 CO 0.07 0.48 0.03 -0.04 -2.81 0.00 0.00 174.94 172.66 1ml4 s MET 265 N 0.33 1.99 -0.30 3.50 -1.94 0.11 -2.21 119.30 120.78 1ml4 s MET 265 Ca -0.00 -2.06 -0.15 0.00 -1.71 0.00 0.00 55.69 51.77 1ml4 s MET 265 Cb -0.13 -1.69 0.16 0.00 2.01 0.00 0.00 34.83 35.17 1ml4 s MET 265 CO 0.01 -0.05 0.97 -1.58 -0.01 0.00 0.00 175.02 174.37 1ml4 s HIS 266 N -2.69 -0.68 0.51 -0.03 5.04 -1.26 -0.82 115.29 115.36 1ml4 s HIS 266 Ca 0.36 1.21 0.35 0.00 -1.54 0.00 0.00 55.06 55.44 1ml4 s HIS 266 Cb 0.09 0.41 1.89 0.00 0.04 0.00 0.00 32.58 35.00 1ml4 s HIS 266 CO 0.19 -0.34 2.21 -1.00 -2.34 0.00 0.00 174.74 173.46 1ml4 h PRO 267 N 7.20 0.00 -1.93 2.88 0.13 -1.95 -3.46 132.00 134.88 1ml4 h PRO 267 Ca -0.18 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.14 1ml4 h PRO 267 Cb 1.13 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.16 1ml4 h PRO 267 CO 0.11 0.03 -0.70 1.28 -0.23 0.00 0.00 178.00 178.49 1ml4 n LEU 268 N -3.41 -0.57 -4.82 1.56 4.77 -1.26 -5.03 117.00 108.24 1ml4 n LEU 268 Ca -0.02 1.33 -0.30 0.00 -0.03 0.00 0.00 56.01 56.99 1ml4 n LEU 268 Cb 0.15 -1.68 0.07 0.00 -2.33 0.00 0.00 43.42 39.63 1ml4 n LEU 268 CO 0.25 -1.17 0.72 -2.16 -1.33 0.00 0.00 177.39 173.69 1ml4 s PRO 269 N -3.71 2.57 0.04 3.23 0.04 -1.26 -5.04 135.00 130.86 1ml4 s PRO 269 Ca 0.00 0.75 0.04 0.00 0.04 0.00 0.00 61.00 61.83 1ml4 s PRO 269 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1ml4 s PRO 269 CO 0.00 -1.31 -0.05 -0.98 0.04 0.00 0.00 177.00 174.70 1ml4 s ARG 270 N -5.14 2.49 0.00 4.56 1.70 -1.26 -4.66 118.95 116.64 1ml4 s ARG 270 Ca 0.59 -0.79 0.00 0.00 -0.47 0.00 0.00 55.73 55.06 1ml4 s ARG 270 Cb -0.14 -2.49 0.00 0.00 -0.57 0.00 0.00 34.95 31.76 1ml4 s ARG 270 CO 0.54 0.57 0.00 0.28 -1.08 0.00 0.00 175.30 175.62 1ml4 n VAL 271 N 1.19 0.00 -1.30 4.99 0.31 -1.26 -4.94 118.33 117.31 1ml4 n VAL 271 Ca -0.14 0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1ml4 n VAL 271 Cb 0.52 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1ml4 n VAL 271 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1ml4 n ASP 272 N -2.28 0.00 0.06 4.52 5.75 -1.26 -4.88 116.55 118.47 1ml4 n ASP 272 Ca 0.00 -1.00 0.07 0.00 -0.01 0.00 0.00 54.79 53.85 1ml4 n ASP 272 Cb 0.00 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.41 1ml4 n ASP 272 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1ml4 n GLU 273 N 0.00 0.07 -3.68 0.11 0.00 -1.26 -4.10 120.64 111.78 1ml4 n GLU 273 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 57.16 57.31 1ml4 n GLU 273 Cb 0.35 -1.68 -0.15 0.00 0.00 0.00 0.00 31.44 29.96 1ml4 n GLU 273 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1ml4 s ILE 274 N -3.18 0.52 0.30 3.84 1.01 -1.26 -0.33 121.20 122.09 1ml4 s ILE 274 Ca 0.03 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.42 1ml4 s ILE 274 Cb 0.06 -1.28 -0.12 0.00 0.01 0.00 0.00 42.46 41.13 1ml4 s ILE 274 CO 0.21 -0.54 1.46 1.57 0.00 0.00 0.00 174.94 177.64 1ml4 n HIS 275 N 5.02 2.54 0.08 3.97 -0.00 0.69 -4.84 115.22 122.68 1ml4 n HIS 275 Ca -0.05 0.40 0.05 0.00 -0.00 0.00 0.00 57.72 58.12 1ml4 n HIS 275 Cb 0.44 -2.51 0.28 0.00 -0.00 0.00 0.00 29.99 28.20 1ml4 n HIS 275 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ml4 n PRO 276 N 1.53 0.07 0.23 1.57 -0.04 -1.26 -1.21 135.00 135.90 1ml4 n PRO 276 Ca 0.08 0.56 0.11 0.00 -0.04 0.00 0.00 63.50 64.20 1ml4 n PRO 276 Cb 0.35 -1.73 0.52 0.00 -0.04 0.00 0.00 33.50 32.60 1ml4 n PRO 276 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1ml4 h GLU 277 N 0.00 0.00 0.00 0.54 4.11 -1.94 -2.19 114.58 115.10 1ml4 h GLU 277 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1ml4 h GLU 277 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1ml4 h GLU 277 CO 0.00 0.19 -0.28 0.28 0.07 0.00 0.00 179.01 179.27 1ml4 h VAL 278 N 0.00 0.98 -0.53 -1.06 2.07 -1.49 -3.27 116.25 112.95 1ml4 h VAL 278 Ca -0.00 -1.05 0.11 0.00 0.82 0.00 0.00 66.70 66.58 1ml4 h VAL 278 Cb 0.66 1.60 -0.10 0.00 -1.52 0.00 0.00 31.29 31.93 1ml4 h VAL 278 CO 0.02 0.28 -0.18 0.44 0.02 0.00 0.00 177.57 178.15 1ml4 h ASP 279 N 0.00 -0.63 0.96 0.57 5.19 -1.54 -1.42 116.42 119.55 1ml4 h ASP 279 Ca -0.00 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1ml4 h ASP 279 Cb 0.58 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1ml4 h ASP 279 CO 0.04 -0.21 0.00 0.78 -3.12 0.00 0.00 179.24 176.72 1ml4 h ASN 280 N -0.05 0.00 -4.24 6.45 -0.26 -1.75 -3.44 115.58 112.30 1ml4 h ASN 280 Ca 0.25 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.48 1ml4 h ASN 280 Cb 0.44 0.00 0.13 0.00 -1.06 0.00 0.00 38.32 37.83 1ml4 h ASN 280 CO -0.57 0.00 0.35 0.42 -1.06 0.00 0.00 177.43 176.56 1ml4 s THR 281 N -3.51 3.01 -0.87 2.81 -4.23 -0.53 -4.91 115.64 107.40 1ml4 s THR 281 Ca 0.03 0.42 0.17 0.00 -1.18 0.00 0.00 61.69 61.13 1ml4 s THR 281 Cb 0.09 -2.89 0.16 0.00 1.34 0.00 0.00 72.50 71.20 1ml4 s THR 281 CO 0.49 -0.34 1.54 0.29 -0.54 0.00 0.00 174.62 176.06 1ml4 n LYS 282 N -2.96 0.05 0.00 3.99 5.02 -1.26 -3.09 118.16 119.91 1ml4 n LYS 282 Ca 0.11 0.29 -0.18 0.00 -2.02 0.00 0.00 58.31 56.50 1ml4 n LYS 282 Cb 0.52 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 33.84 1ml4 n LYS 282 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ml4 h HIS 283 N 0.00 0.92 -2.64 2.13 3.86 -1.86 -3.46 115.15 114.10 1ml4 h HIS 283 Ca 0.00 -0.46 -0.53 0.00 -1.16 0.00 0.00 60.37 58.23 1ml4 h HIS 283 Cb 0.29 -0.12 0.04 0.00 1.06 0.00 0.00 27.41 28.68 1ml4 h HIS 283 CO 0.00 1.28 1.03 0.00 0.86 0.00 0.00 177.93 181.10 1ml4 s ALA 284 N -3.48 3.80 -0.00 2.45 0.00 -1.18 -1.43 121.76 121.92 1ml4 s ALA 284 Ca -0.11 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1ml4 s ALA 284 Cb 0.07 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1ml4 s ALA 284 CO 0.88 -1.06 0.56 0.44 0.00 0.00 0.00 175.76 176.59 1ml4 n ILE 285 N 4.43 0.00 -0.01 0.00 -5.35 -0.94 -4.90 119.36 112.59 1ml4 n ILE 285 Ca 0.16 -0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.68 1ml4 n ILE 285 Cb 0.38 0.94 0.41 0.00 -1.74 0.00 0.00 39.64 39.63 1ml4 n ILE 285 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 1ml4 h TYR 286 N 0.00 0.54 0.00 4.28 -0.00 -1.89 0.19 116.97 120.10 1ml4 h TYR 286 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.73 1ml4 h TYR 286 Cb 1.05 -0.18 -0.00 0.00 -0.00 0.00 0.00 36.73 37.60 1ml4 h TYR 286 CO 0.01 0.35 -0.04 0.74 -0.00 0.00 0.00 178.16 179.22 1ml4 h PHE 287 N 0.58 0.00 0.00 0.10 0.04 -1.91 -1.78 116.94 113.97 1ml4 h PHE 287 Ca 0.16 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.74 1ml4 h PHE 287 Cb -0.05 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 1ml4 h PHE 287 CO 0.00 0.04 -0.90 0.00 -0.60 0.00 0.00 178.31 176.85 1ml4 h ARG 288 N 0.00 0.00 -0.60 1.51 3.08 -1.67 -3.03 114.38 113.66 1ml4 h ARG 288 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1ml4 h ARG 288 Cb 0.96 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 1ml4 h ARG 288 CO 0.01 0.90 0.19 0.37 -1.07 0.00 0.00 179.97 180.37 1ml4 h GLN 289 N 0.00 0.94 -0.37 0.04 4.15 -0.54 -2.72 115.11 116.60 1ml4 h GLN 289 Ca -0.01 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1ml4 h GLN 289 Cb 1.65 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 29.19 1ml4 h GLN 289 CO 0.12 0.83 0.24 0.28 -1.93 0.00 0.00 178.83 178.38 1ml4 h VAL 290 N 0.86 1.09 -0.56 2.39 2.07 -1.27 -3.02 116.25 117.80 1ml4 h VAL 290 Ca 0.19 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1ml4 h VAL 290 Cb 0.29 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 1ml4 h VAL 290 CO -0.01 0.09 0.11 0.15 0.02 0.00 0.00 177.57 177.93 1ml4 h PHE 291 N 0.50 0.16 0.00 1.57 3.04 -1.38 -1.59 116.94 119.24 1ml4 h PHE 291 Ca 0.14 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1ml4 h PHE 291 Cb -0.05 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.47 1ml4 h PHE 291 CO -0.05 -0.04 0.00 0.09 -2.02 0.00 0.00 178.31 176.29 1ml4 n ASN 292 N -5.14 0.60 -0.03 0.41 3.02 -1.06 -3.01 115.26 110.05 1ml4 n ASN 292 Ca 0.08 0.73 0.02 0.00 -0.03 0.00 0.00 54.58 55.38 1ml4 n ASN 292 Cb 0.30 -0.82 0.36 0.00 -0.61 0.00 0.00 39.78 39.00 1ml4 n ASN 292 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ml4 h GLY 293 N 0.78 0.65 0.66 7.41 0.00 -1.32 -2.68 103.07 108.57 1ml4 h GLY 293 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1ml4 h GLY 293 CO 0.00 0.27 -0.16 -2.08 0.00 0.00 0.00 176.54 174.57 1ml4 h VAL 294 N 0.61 0.64 -0.18 4.60 2.07 -1.73 -0.13 116.25 122.14 1ml4 h VAL 294 Ca 0.16 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1ml4 h VAL 294 Cb 0.04 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1ml4 h VAL 294 CO -0.02 0.11 -0.06 1.55 0.02 0.00 0.00 177.57 179.16 1ml4 h PRO 295 N -0.79 0.26 -0.22 1.57 0.13 -1.77 0.48 132.00 131.66 1ml4 h PRO 295 Ca -0.05 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.96 1ml4 h PRO 295 Cb 0.52 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 1ml4 h PRO 295 CO 0.07 0.34 -0.17 0.28 -0.23 0.00 0.00 178.00 178.30 1ml4 h VAL 296 N 0.26 1.32 0.00 1.56 2.07 -1.47 -0.66 116.25 119.32 1ml4 h VAL 296 Ca 0.06 -1.29 -0.10 0.00 0.82 0.00 0.00 66.70 66.19 1ml4 h VAL 296 Cb 0.28 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1ml4 h VAL 296 CO 0.01 0.40 -0.47 0.03 0.02 0.00 0.00 177.57 177.56 1ml4 h ARG 297 N 0.21 0.00 -0.37 1.57 3.08 -0.62 -1.64 114.38 116.61 1ml4 h ARG 297 Ca 0.04 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 1ml4 h ARG 297 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1ml4 h ARG 297 CO 0.04 0.47 -0.16 0.52 -1.07 0.00 0.00 179.97 179.77 1ml4 h MET 298 N 0.00 0.77 -0.31 0.04 2.86 0.10 -0.93 114.93 117.46 1ml4 h MET 298 Ca -0.00 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1ml4 h MET 298 Cb 0.87 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1ml4 h MET 298 CO 0.06 0.94 0.17 0.00 1.06 0.00 0.00 176.91 179.15 1ml4 h ALA 299 N 0.80 0.39 -0.57 6.32 0.00 -0.87 -0.99 119.26 124.35 1ml4 h ALA 299 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ml4 h ALA 299 Cb 0.71 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1ml4 h ALA 299 CO 0.05 -0.09 0.31 -0.07 0.00 0.00 0.00 179.25 179.45 1ml4 h LEU 300 N 0.38 0.71 -0.01 0.00 3.38 -1.19 0.05 115.31 118.64 1ml4 h LEU 300 Ca 0.11 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ml4 h LEU 300 Cb 0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1ml4 h LEU 300 CO -0.02 0.60 0.00 -0.07 0.09 0.00 0.00 178.44 179.05 1ml4 h LEU 301 N 0.77 0.02 0.05 1.67 3.38 -1.02 -1.06 115.31 119.11 1ml4 h LEU 301 Ca 0.20 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ml4 h LEU 301 Cb 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ml4 h LEU 301 CO -0.03 0.23 -0.06 0.00 0.09 0.00 0.00 178.44 178.67 1ml4 h ALA 302 N 0.79 -0.10 0.26 1.53 0.00 -1.07 -0.45 119.26 120.21 1ml4 h ALA 302 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ml4 h ALA 302 Cb 0.22 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1ml4 h ALA 302 CO -0.00 -0.57 -0.33 -0.07 0.00 0.00 0.00 179.25 178.28 1ml4 h LEU 303 N -0.12 -0.91 -1.81 0.00 3.38 -0.96 -0.58 115.31 114.30 1ml4 h LEU 303 Ca 0.01 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1ml4 h LEU 303 Cb 0.12 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ml4 h LEU 303 CO -0.02 -0.45 -0.14 0.58 0.09 0.00 0.00 178.44 178.50 1ml4 h VAL 304 N -0.64 0.65 -0.00 1.22 2.07 -1.13 -1.15 116.25 117.26 1ml4 h VAL 304 Ca -0.00 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1ml4 h VAL 304 Cb 0.61 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1ml4 h VAL 304 CO -0.10 0.14 -0.26 0.18 0.02 0.00 0.00 177.57 177.55 1ml4 n LEU 305 N -3.71 0.64 -2.82 2.57 4.77 -0.19 -1.47 117.00 116.78 1ml4 n LEU 305 Ca -0.02 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 1ml4 n LEU 305 Cb 0.26 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1ml4 n LEU 305 CO 0.31 0.13 0.13 0.61 -1.33 0.00 0.00 177.39 177.24 1ml4 n GLY 306 N 1.38 -0.17 0.21 -0.72 0.00 -0.44 -4.89 105.19 100.57 1ml4 n GLY 306 Ca 0.11 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1ml4 n GLY 306 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ml4 n VAL 307 N -3.80 0.00 -1.13 1.61 0.24 -0.34 -5.00 118.33 109.91 1ml4 n VAL 307 Ca -0.12 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 1ml4 n VAL 307 Cb 0.59 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 1ml4 n VAL 307 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99