#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t27 s LEU 3 N 0.00 3.13 -0.09 7.52 2.96 -0.35 -4.96 118.68 126.89 1t27 s LEU 3 Ca 0.00 -0.80 -0.02 0.00 -0.22 0.00 0.00 54.13 53.09 1t27 s LEU 3 Cb 0.00 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1t27 s LEU 3 CO 0.00 -0.11 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.15 1t27 s LEU 4 N 1.35 3.51 -0.04 -0.68 1.02 -1.26 -1.88 118.68 120.70 1t27 s LEU 4 Ca 0.01 0.11 -0.12 0.00 0.02 0.00 0.00 54.13 54.15 1t27 s LEU 4 Cb -0.16 -1.80 0.02 0.00 0.02 0.00 0.00 46.19 44.27 1t27 s LEU 4 CO -0.04 0.37 0.28 -0.54 0.02 0.00 0.00 176.35 176.43 1t27 s LYS 5 N -0.83 0.53 -0.21 1.70 1.02 -0.54 -3.55 119.74 117.85 1t27 s LYS 5 Ca 0.13 -0.03 -0.01 0.00 0.02 0.00 0.00 55.97 56.07 1t27 s LYS 5 Cb -0.11 0.24 0.01 0.00 -0.52 0.00 0.00 37.83 37.45 1t27 s LYS 5 CO 0.02 -0.13 -0.11 -2.00 -0.92 0.00 0.00 175.35 172.21 1t27 s GLU 6 N -0.86 3.04 -0.26 1.68 2.12 -0.08 0.26 118.70 124.60 1t27 s GLU 6 Ca -0.09 -0.82 -0.14 0.00 0.36 0.00 0.00 54.97 54.27 1t27 s GLU 6 Cb -0.05 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1t27 s GLU 6 CO 0.03 -0.27 0.34 0.71 -0.54 0.00 0.00 175.26 175.53 1t27 s TYR 7 N 1.35 3.26 -0.26 5.30 1.51 0.59 -0.66 117.35 128.43 1t27 s TYR 7 Ca 0.04 0.38 -0.08 0.00 -1.01 0.00 0.00 57.07 56.40 1t27 s TYR 7 Cb -0.14 -2.52 -0.03 0.00 -0.11 0.00 0.00 41.96 39.15 1t27 s TYR 7 CO -0.08 -0.18 0.10 1.03 -1.11 0.00 0.00 175.55 175.31 1t27 s ARG 8 N 1.90 3.62 -0.34 -0.62 0.52 0.21 0.04 118.95 124.27 1t27 s ARG 8 Ca 0.14 -0.51 -0.01 0.00 -0.52 0.00 0.00 55.73 54.83 1t27 s ARG 8 Cb -0.16 -3.40 0.08 0.00 0.52 0.00 0.00 34.95 31.99 1t27 s ARG 8 CO 0.10 -0.23 0.08 0.08 0.02 0.00 0.00 175.30 175.34 1t27 s VAL 9 N 1.63 2.90 0.14 3.52 1.01 0.01 -1.81 120.40 127.80 1t27 s VAL 9 Ca 0.06 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 59.91 1t27 s VAL 9 Cb -0.16 -2.88 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 1t27 s VAL 9 CO 0.05 -0.41 0.92 -0.63 0.00 0.00 0.00 175.10 175.03 1t27 s ILE 10 N 1.13 4.41 0.03 2.22 1.01 -1.26 -1.26 121.20 127.49 1t27 s ILE 10 Ca 0.03 2.00 0.02 0.00 0.00 0.00 0.00 60.65 62.70 1t27 s ILE 10 Cb -0.21 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 37.96 1t27 s ILE 10 CO -0.04 0.38 -0.08 -0.76 0.00 0.00 0.00 174.94 174.45 1t27 s LEU 11 N -0.38 2.21 -0.23 2.97 1.43 -0.51 -4.75 118.68 119.41 1t27 s LEU 11 Ca 0.44 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1t27 s LEU 11 Cb -0.24 -0.21 -0.10 0.00 0.03 0.00 0.00 46.19 45.67 1t27 s LEU 11 CO 0.29 -0.14 3.20 -0.81 0.23 0.00 0.00 176.35 179.12 1t27 n PRO 12 N 1.75 2.21 -3.99 1.29 -0.04 -1.26 -2.21 135.00 132.75 1t27 n PRO 12 Ca -0.21 -1.68 -0.08 0.00 -0.04 0.00 0.00 63.50 61.49 1t27 n PRO 12 Cb 0.55 -2.08 -0.10 0.00 -0.04 0.00 0.00 33.50 31.84 1t27 n PRO 12 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1t27 s VAL 13 N -0.63 0.16 0.74 0.52 -7.23 -1.13 -4.45 120.40 108.39 1t27 s VAL 13 Ca 0.63 -1.31 -0.12 0.00 -1.81 0.00 0.00 61.98 59.37 1t27 s VAL 13 Cb 0.35 -1.02 0.04 0.00 0.56 0.00 0.00 36.38 36.31 1t27 s VAL 13 CO -0.11 -0.72 1.13 -0.94 -0.31 0.00 0.00 175.10 174.14 1t27 s SER 14 N -2.33 5.07 0.20 4.85 1.04 -1.26 -2.58 113.70 118.69 1t27 s SER 14 Ca -0.02 0.98 -0.11 0.00 0.48 0.00 0.00 55.95 57.28 1t27 s SER 14 Cb 0.01 -1.66 0.15 0.00 0.10 0.00 0.00 66.02 64.62 1t27 s SER 14 CO -0.06 -1.56 1.86 0.58 0.98 0.00 0.00 173.24 175.04 1t27 h VAL 15 N -0.81 1.14 -0.49 5.02 2.07 -1.91 -1.64 116.25 119.64 1t27 h VAL 15 Ca -0.45 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 1t27 h VAL 15 Cb 1.28 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1t27 h VAL 15 CO 0.65 0.16 0.11 0.44 0.02 0.00 0.00 177.57 178.95 1t27 h ASP 16 N 0.90 0.76 -0.79 0.57 3.32 -1.98 -2.95 116.42 116.24 1t27 h ASP 16 Ca 0.26 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1t27 h ASP 16 Cb -0.06 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 1t27 h ASP 16 CO -0.07 0.80 0.31 -0.33 -1.72 0.00 0.00 179.24 178.23 1t27 h GLU 17 N 0.68 1.19 -0.68 3.56 5.08 -1.87 -2.84 114.58 119.70 1t27 h GLU 17 Ca 0.15 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1t27 h GLU 17 Cb 0.34 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1t27 h GLU 17 CO 0.00 0.96 0.45 -0.92 -1.00 0.00 0.00 179.01 178.51 1t27 h TYR 18 N 1.16 0.83 -0.90 4.33 3.20 -1.15 -0.29 116.97 124.15 1t27 h TYR 18 Ca 0.26 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.29 1t27 h TYR 18 Cb 0.22 -0.28 -0.07 0.00 1.54 0.00 0.00 36.73 38.14 1t27 h TYR 18 CO 0.02 0.51 0.58 0.37 -1.64 0.00 0.00 178.16 177.99 1t27 h GLN 19 N 0.88 0.71 0.11 1.82 4.15 -1.34 0.23 115.11 121.67 1t27 h GLN 19 Ca 0.26 -0.04 -0.21 0.00 0.77 0.00 0.00 58.65 59.43 1t27 h GLN 19 Cb -0.03 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 27.51 1t27 h GLN 19 CO -0.06 0.47 -1.00 0.28 -1.93 0.00 0.00 178.83 176.59 1t27 h VAL 20 N 0.73 1.33 -0.85 2.39 2.07 -1.37 -3.25 116.25 117.30 1t27 h VAL 20 Ca 0.45 -2.46 0.02 0.00 0.82 0.00 0.00 66.70 65.54 1t27 h VAL 20 Cb 0.68 2.99 -0.05 0.00 -1.52 0.00 0.00 31.29 33.39 1t27 h VAL 20 CO -0.21 0.68 0.56 1.23 0.02 0.00 0.00 177.57 179.86 1t27 h GLY 21 N -0.29 1.21 0.96 2.17 0.00 -0.58 -0.31 103.07 106.23 1t27 h GLY 21 Ca -0.20 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.61 1t27 h GLY 21 CO 0.09 0.39 -0.10 -1.61 0.00 0.00 0.00 176.54 175.31 1t27 h GLN 22 N 1.10 0.72 -0.51 4.80 4.15 -0.70 0.55 115.11 125.22 1t27 h GLN 22 Ca 0.33 -0.28 -0.12 0.00 0.77 0.00 0.00 58.65 59.34 1t27 h GLN 22 Cb -0.03 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1t27 h GLN 22 CO -0.09 0.88 -0.16 -0.07 -1.93 0.00 0.00 178.83 177.46 1t27 h LEU 23 N 0.52 1.02 -0.13 -2.39 3.38 -1.50 -0.57 115.31 115.64 1t27 h LEU 23 Ca 0.09 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1t27 h LEU 23 Cb 0.62 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1t27 h LEU 23 CO 0.04 1.16 0.04 0.22 0.09 0.00 0.00 178.44 179.99 1t27 h TYR 24 N 0.87 0.21 -0.12 1.13 3.20 -0.98 -2.81 116.97 118.46 1t27 h TYR 24 Ca 0.12 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 1t27 h TYR 24 Cb 0.74 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1t27 h TYR 24 CO 0.05 0.33 -0.29 0.77 -1.64 0.00 0.00 178.16 177.38 1t27 h SER 25 N 0.03 0.23 -0.47 -2.11 0.02 -0.79 -2.47 113.55 107.99 1t27 h SER 25 Ca 0.04 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.80 1t27 h SER 25 Cb 0.21 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1t27 h SER 25 CO -0.00 0.52 -0.15 0.58 -1.14 0.00 0.00 176.83 176.63 1t27 h VAL 26 N 0.20 1.27 -0.04 2.27 2.07 -1.07 -0.02 116.25 120.93 1t27 h VAL 26 Ca 0.03 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1t27 h VAL 26 Cb 0.63 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1t27 h VAL 26 CO 0.05 0.45 0.03 0.00 0.02 0.00 0.00 177.57 178.11 1t27 h ALA 27 N 0.96 0.05 -0.47 1.67 0.00 -1.21 -0.66 119.26 119.61 1t27 h ALA 27 Ca 0.13 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1t27 h ALA 27 Cb 0.71 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1t27 h ALA 27 CO 0.05 -0.45 -0.07 0.93 0.00 0.00 0.00 179.25 179.71 1t27 h GLU 28 N 0.05 0.87 -0.50 0.00 4.39 -1.35 -2.41 114.58 115.63 1t27 h GLU 28 Ca 0.01 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.33 1t27 h GLU 28 Cb -0.01 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1t27 h GLU 28 CO -0.00 0.95 0.04 0.00 -1.16 0.00 0.00 179.01 178.83 1t27 h ALA 29 N 0.89 1.11 -0.10 3.43 0.00 -0.91 -1.23 119.26 122.45 1t27 h ALA 29 Ca 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1t27 h ALA 29 Cb 0.60 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1t27 h ALA 29 CO 0.04 0.57 0.02 0.77 0.00 0.00 0.00 179.25 180.64 1t27 h SER 30 N 0.77 0.16 -0.92 0.00 0.02 -1.02 -2.99 113.55 109.58 1t27 h SER 30 Ca 0.16 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1t27 h SER 30 Cb 0.42 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1t27 h SER 30 CO 0.01 0.38 0.56 0.11 -1.14 0.00 0.00 176.83 176.76 1t27 h LYS 31 N -0.06 1.25 0.00 3.45 1.57 -1.31 -1.98 116.57 119.49 1t27 h LYS 31 Ca 0.03 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1t27 h LYS 31 Cb 0.29 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1t27 h LYS 31 CO 0.00 0.88 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.84 1t27 h ASN 32 N 1.27 0.00 -0.09 0.86 2.35 -1.11 -2.20 115.58 116.66 1t27 h ASN 32 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1t27 h ASN 32 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1t27 h ASN 32 CO -0.06 0.01 0.00 -0.62 -1.65 0.00 0.00 177.43 175.11 1t27 n GLU 33 N -3.21 1.47 -4.11 0.81 -0.58 -0.79 -3.58 120.64 110.64 1t27 n GLU 33 Ca -0.02 -1.58 -0.34 0.00 -0.42 0.00 0.00 57.16 54.79 1t27 n GLU 33 Cb 0.12 -1.32 -0.11 0.00 -0.57 0.00 0.00 31.44 29.56 1t27 n GLU 33 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1t27 s THR 34 N -1.30 4.43 0.00 2.62 2.01 -0.83 -4.01 115.64 118.56 1t27 s THR 34 Ca 0.21 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.05 1t27 s THR 34 Cb 0.14 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.66 1t27 s THR 34 CO 0.21 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.21 1t27 n GLY 35 N 3.68 2.35 3.73 4.40 0.00 -0.27 -4.48 105.19 114.59 1t27 n GLY 35 Ca -0.17 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 1t27 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t27 n GLY 36 N -0.85 -0.49 2.48 -0.02 0.00 0.53 -1.47 105.19 105.37 1t27 n GLY 36 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1t27 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t27 n GLY 37 N -1.50 2.61 3.79 -0.02 0.00 0.28 -4.58 105.19 105.77 1t27 n GLY 37 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 1t27 n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t27 s GLU 38 N -0.28 2.37 0.00 1.61 2.02 -0.54 -4.85 118.70 119.02 1t27 s GLU 38 Ca 0.00 -1.68 0.00 0.00 0.02 0.00 0.00 54.97 53.31 1t27 s GLU 38 Cb 0.00 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1t27 s GLU 38 CO 0.00 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.58 1t27 n GLY 39 N -1.34 -0.05 3.85 -1.39 0.00 -0.67 -1.11 105.19 104.47 1t27 n GLY 39 Ca 0.00 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 1t27 n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t27 s VAL 40 N 0.00 5.16 -0.11 1.61 1.01 -1.26 -1.09 120.40 125.72 1t27 s VAL 40 Ca 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 1t27 s VAL 40 Cb 0.00 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1t27 s VAL 40 CO 0.00 0.58 -0.02 -0.70 0.00 0.00 0.00 175.10 174.97 1t27 s GLU 41 N -1.08 0.91 -0.39 2.72 2.12 -0.56 -4.68 118.70 117.73 1t27 s GLU 41 Ca 0.22 -0.12 -0.21 0.00 0.36 0.00 0.00 54.97 55.22 1t27 s GLU 41 Cb -0.15 -1.39 0.01 0.00 0.26 0.00 0.00 34.13 32.86 1t27 s GLU 41 CO 0.11 -0.36 0.66 0.08 -0.54 0.00 0.00 175.26 175.21 1t27 s VAL 42 N 1.86 4.84 -0.15 3.70 1.01 -1.26 -0.83 120.40 129.58 1t27 s VAL 42 Ca 0.04 0.46 -0.16 0.00 0.00 0.00 0.00 61.98 62.31 1t27 s VAL 42 Cb -0.13 -4.14 -0.24 0.00 0.00 0.00 0.00 36.38 31.86 1t27 s VAL 42 CO -0.07 -0.44 0.40 -0.07 0.00 0.00 0.00 175.10 174.93 1t27 h LEU 43 N 9.56 0.24 -8.01 3.92 3.38 -1.08 -3.48 115.31 119.84 1t27 h LEU 43 Ca -0.26 -0.76 -0.31 0.00 0.09 0.00 0.00 57.88 56.64 1t27 h LEU 43 Cb 1.10 -0.08 -0.26 0.00 0.09 0.00 0.00 40.66 41.52 1t27 h LEU 43 CO 0.87 1.61 -0.75 -0.69 0.09 0.00 0.00 178.44 179.57 1t27 s VAL 44 N -2.45 0.47 -0.47 1.22 1.01 -0.79 -4.95 120.40 114.44 1t27 s VAL 44 Ca -0.24 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1t27 s VAL 44 Cb 0.05 -0.46 0.18 0.00 0.00 0.00 0.00 36.38 36.16 1t27 s VAL 44 CO 0.70 -0.06 0.61 0.21 0.00 0.00 0.00 175.10 176.56 1t27 s ASN 45 N -0.66 -0.66 0.10 3.32 2.47 -1.24 -0.30 114.94 117.96 1t27 s ASN 45 Ca -0.02 -1.90 0.06 0.00 0.42 0.00 0.00 52.86 51.42 1t27 s ASN 45 Cb -0.05 1.32 -0.03 0.00 -1.45 0.00 0.00 41.25 41.03 1t27 s ASN 45 CO 0.00 -0.10 -0.15 -1.61 -3.72 0.00 0.00 177.10 171.51 1t27 s GLU 46 N 0.86 0.96 0.47 0.43 0.41 0.57 -4.95 118.70 117.44 1t27 s GLU 46 Ca 0.28 -1.12 -0.20 0.00 -0.41 0.00 0.00 54.97 53.52 1t27 s GLU 46 Cb -0.01 -0.96 -0.09 0.00 -1.78 0.00 0.00 34.13 31.29 1t27 s GLU 46 CO -0.08 0.20 1.01 -1.25 -0.49 0.00 0.00 175.26 174.65 1t27 s PRO 47 N -2.18 3.94 0.20 0.39 0.04 -1.26 0.40 135.00 136.53 1t27 s PRO 47 Ca 0.04 1.28 -0.00 0.00 0.04 0.00 0.00 61.00 62.37 1t27 s PRO 47 Cb -0.08 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1t27 s PRO 47 CO 0.03 -0.30 0.09 1.52 0.04 0.00 0.00 177.00 178.38 1t27 s TYR 48 N -2.04 1.20 -0.22 0.56 -0.85 -0.64 -4.80 117.35 110.56 1t27 s TYR 48 Ca 0.66 -1.26 -0.06 0.00 -0.52 0.00 0.00 57.07 55.89 1t27 s TYR 48 Cb -0.14 -0.65 0.11 0.00 0.38 0.00 0.00 41.96 41.66 1t27 s TYR 48 CO 0.18 -0.49 0.43 -2.00 -1.52 0.00 0.00 175.55 172.15 1t27 s GLU 49 N -4.08 0.36 0.82 -3.49 2.12 -1.26 -2.37 118.70 110.79 1t27 s GLU 49 Ca 0.34 0.94 -0.11 0.00 0.36 0.00 0.00 54.97 56.49 1t27 s GLU 49 Cb 0.07 0.18 0.10 0.00 0.26 0.00 0.00 34.13 34.74 1t27 s GLU 49 CO 0.09 -0.36 1.17 0.15 -0.54 0.00 0.00 175.26 175.77 1t27 s LYS 50 N 2.63 1.72 0.15 4.30 1.02 -0.53 -4.94 119.74 124.08 1t27 s LYS 50 Ca 0.03 -0.13 -0.18 0.00 0.02 0.00 0.00 55.97 55.71 1t27 s LYS 50 Cb -0.13 -1.99 0.04 0.00 -0.52 0.00 0.00 37.83 35.22 1t27 s LYS 50 CO -0.14 -1.69 1.71 -0.44 -0.92 0.00 0.00 175.35 173.87 1t27 h ASP 51 N -1.06 -0.12 0.02 2.83 3.32 -2.02 -1.33 116.42 118.04 1t27 h ASP 51 Ca -0.45 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1t27 h ASP 51 Cb 1.30 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1t27 h ASP 51 CO 0.58 -0.03 0.00 0.47 -1.72 0.00 0.00 179.24 178.54 1t27 n ASP 52 N -5.17 0.00 0.00 6.45 9.92 -1.26 -4.81 116.55 121.69 1t27 n ASP 52 Ca -0.00 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1t27 n ASP 52 Cb 0.15 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1t27 n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1t27 n GLY 53 N -1.24 1.09 3.67 0.44 0.00 -0.50 -5.04 105.19 103.61 1t27 n GLY 53 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1t27 n GLY 53 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t27 n GLU 54 N -2.00 2.20 -4.36 1.61 2.13 -1.26 -4.72 120.64 114.25 1t27 n GLU 54 Ca 0.00 0.80 -0.28 0.00 0.66 0.00 0.00 57.16 58.34 1t27 n GLU 54 Cb 0.00 -2.59 -0.11 0.00 0.27 0.00 0.00 31.44 29.01 1t27 n GLU 54 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1t27 s LYS 55 N 1.61 1.71 0.00 5.31 1.02 -1.26 -1.45 119.74 126.67 1t27 s LYS 55 Ca 0.81 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 55.45 1t27 s LYS 55 Cb -0.67 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1t27 s LYS 55 CO 0.40 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.68 1t27 n GLY 56 N 0.40 -0.57 3.24 -3.33 0.00 -1.00 -4.53 105.19 99.41 1t27 n GLY 56 Ca -0.13 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 1t27 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1t27 s GLN 57 N -0.24 3.12 -0.13 1.61 2.00 -0.04 -1.63 119.66 124.36 1t27 s GLN 57 Ca 0.00 -0.83 -0.05 0.00 -2.00 0.00 0.00 55.36 52.48 1t27 s GLN 57 Cb 0.00 -2.42 -0.04 0.00 0.80 0.00 0.00 33.01 31.35 1t27 s GLN 57 CO 0.00 0.13 0.05 -0.47 -0.50 0.00 0.00 175.29 174.50 1t27 s TYR 58 N 0.48 3.27 0.00 1.67 5.04 0.16 -0.46 117.35 127.52 1t27 s TYR 58 Ca -0.14 0.18 0.01 0.00 -2.44 0.00 0.00 57.07 54.68 1t27 s TYR 58 Cb -0.17 -1.93 -0.00 0.00 0.35 0.00 0.00 41.96 40.20 1t27 s TYR 58 CO 0.05 0.38 -0.04 0.95 -1.34 0.00 0.00 175.55 175.55 1t27 s THR 59 N -0.38 0.28 -0.12 4.34 -4.23 -0.87 -0.32 115.64 114.34 1t27 s THR 59 Ca 0.09 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1t27 s THR 59 Cb -0.12 -0.26 0.02 0.00 1.34 0.00 0.00 72.50 73.48 1t27 s THR 59 CO 0.02 0.02 -0.12 -2.28 -0.54 0.00 0.00 174.62 171.71 1t27 s HIS 60 N -0.24 1.86 0.14 3.99 2.46 0.59 -1.31 115.29 122.78 1t27 s HIS 60 Ca -0.00 -0.95 0.03 0.00 0.47 0.00 0.00 55.06 54.61 1t27 s HIS 60 Cb -0.02 -1.40 -0.04 0.00 -0.13 0.00 0.00 32.58 30.98 1t27 s HIS 60 CO -0.00 -0.54 -0.07 0.15 -2.47 0.00 0.00 174.74 171.81 1t27 s LYS 61 N 1.34 1.02 -0.08 2.88 1.02 0.60 -0.39 119.74 126.13 1t27 s LYS 61 Ca 0.00 -1.44 0.03 0.00 0.02 0.00 0.00 55.97 54.58 1t27 s LYS 61 Cb -0.14 -0.44 0.01 0.00 -0.52 0.00 0.00 37.83 36.75 1t27 s LYS 61 CO -0.06 0.00 -0.17 0.42 -0.92 0.00 0.00 175.35 174.62 1t27 s ILE 62 N -3.48 1.51 -0.42 2.17 1.01 -0.01 0.03 121.20 122.02 1t27 s ILE 62 Ca 0.17 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1t27 s ILE 62 Cb 0.04 -1.34 0.05 0.00 0.01 0.00 0.00 42.46 41.23 1t27 s ILE 62 CO 0.00 0.44 0.28 -0.31 0.00 0.00 0.00 174.94 175.34 1t27 s TYR 63 N 0.52 3.27 -0.37 3.97 1.51 0.02 -1.50 117.35 124.77 1t27 s TYR 63 Ca -0.16 -1.11 -0.28 0.00 -1.01 0.00 0.00 57.07 54.51 1t27 s TYR 63 Cb -0.17 -2.79 0.02 0.00 -0.11 0.00 0.00 41.96 38.91 1t27 s TYR 63 CO 0.06 -0.75 1.03 -1.01 -1.11 0.00 0.00 175.55 173.77 1t27 s HIS 64 N 1.54 3.05 -0.14 2.71 3.76 -0.25 -2.07 115.29 123.89 1t27 s HIS 64 Ca 0.03 0.92 0.18 0.00 -0.15 0.00 0.00 55.06 56.04 1t27 s HIS 64 Cb -0.22 -3.84 0.31 0.00 1.11 0.00 0.00 32.58 29.94 1t27 s HIS 64 CO 0.05 -0.90 1.16 1.28 -0.85 0.00 0.00 174.74 175.48 1t27 n LEU 65 N 7.05 2.40 0.00 0.89 4.77 -1.26 -1.67 117.00 129.18 1t27 n LEU 65 Ca 0.10 -3.22 0.00 0.00 -0.03 0.00 0.00 56.01 52.86 1t27 n LEU 65 Cb 0.48 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1t27 n LEU 65 CO 0.62 0.82 0.34 1.67 -1.33 0.00 0.00 177.39 179.51 1t27 n GLN 66 N -1.39 0.00 0.00 3.23 -0.06 -1.26 -2.97 117.38 114.93 1t27 n GLN 66 Ca 0.16 0.68 0.13 0.00 -2.00 0.00 0.00 57.00 55.97 1t27 n GLN 66 Cb 0.65 -1.11 0.44 0.00 -4.06 0.00 0.00 30.24 26.16 1t27 n GLN 66 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1t27 n SER 67 N -2.04 0.47 0.04 1.69 3.41 -1.26 -3.80 113.62 112.13 1t27 n SER 67 Ca 0.00 -0.28 0.13 0.00 -0.26 0.00 0.00 58.87 58.46 1t27 n SER 67 Cb 0.00 -0.01 0.41 0.00 -0.26 0.00 0.00 64.21 64.35 1t27 n SER 67 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1t27 n LYS 68 N -1.22 0.13 -3.66 4.33 5.02 -1.17 -4.23 118.16 117.35 1t27 n LYS 68 Ca 0.09 0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 56.15 1t27 n LYS 68 Cb 0.32 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 1t27 n LYS 68 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1t27 s VAL 69 N -3.06 5.17 0.68 -0.18 0.11 -1.16 -3.99 120.40 117.97 1t27 s VAL 69 Ca 0.11 -0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.95 1t27 s VAL 69 Cb 0.16 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 1t27 s VAL 69 CO 0.62 -0.02 1.20 -2.65 -3.33 0.00 0.00 175.10 170.92 1t27 n PRO 70 N -0.11 0.88 -0.34 1.54 -0.02 -1.26 -4.66 135.00 131.02 1t27 n PRO 70 Ca -0.03 0.36 0.07 0.00 -2.02 0.00 0.00 63.50 61.88 1t27 n PRO 70 Cb 0.52 -2.44 0.24 0.00 -0.02 0.00 0.00 33.50 31.80 1t27 n PRO 70 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1t27 h THR 71 N 0.21 0.86 0.00 3.45 2.02 -1.96 0.11 112.91 117.61 1t27 h THR 71 Ca -0.50 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1t27 h THR 71 Cb 1.34 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1t27 h THR 71 CO 0.51 0.16 -0.03 2.19 0.37 0.00 0.00 175.52 178.71 1t27 h PHE 72 N 0.88 0.00 0.15 3.16 -5.15 -1.90 -0.40 116.94 113.68 1t27 h PHE 72 Ca 0.49 0.00 -0.34 0.00 -0.20 0.00 0.00 57.97 57.92 1t27 h PHE 72 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.73 1t27 h PHE 72 CO -0.02 0.03 -1.74 0.28 -2.00 0.00 0.00 178.31 174.86 1t27 h VAL 73 N 0.00 0.87 0.51 0.88 2.07 -1.21 -3.39 116.25 115.97 1t27 h VAL 73 Ca -0.00 -2.44 -0.02 0.00 0.82 0.00 0.00 66.70 65.07 1t27 h VAL 73 Cb 0.15 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1t27 h VAL 73 CO 0.00 0.83 -0.38 0.03 0.02 0.00 0.00 177.57 178.07 1t27 h ARG 74 N -0.01 -0.83 -3.85 1.57 3.08 0.02 -3.11 114.38 111.25 1t27 h ARG 74 Ca -0.36 0.06 -0.72 0.00 0.07 0.00 0.00 59.98 59.03 1t27 h ARG 74 Cb 2.00 0.19 -0.07 0.00 0.08 0.00 0.00 29.97 32.17 1t27 h ARG 74 CO 0.12 -0.55 2.86 0.00 -1.07 0.00 0.00 179.97 181.33 1t27 n MET 75 N -5.50 3.06 0.00 0.04 0.00 -0.26 -3.49 117.12 110.98 1t27 n MET 75 Ca -0.12 -2.84 0.00 0.00 0.00 0.00 0.00 57.70 54.75 1t27 n MET 75 Cb 0.39 -3.19 0.00 0.00 0.00 0.00 0.00 33.22 30.42 1t27 n MET 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1t27 n LEU 76 N 5.48 0.00 -3.59 3.17 7.94 -1.17 -4.90 117.00 123.93 1t27 n LEU 76 Ca 0.49 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.28 1t27 n LEU 76 Cb 0.38 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.29 1t27 n LEU 76 CO 0.88 0.00 0.21 0.00 -1.11 0.00 0.00 177.39 177.37 1t27 s ALA 77 N -0.18 -1.09 0.69 1.96 0.00 -1.23 -5.14 121.76 116.77 1t27 s ALA 77 Ca 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.91 1t27 s ALA 77 Cb 0.00 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.84 1t27 s ALA 77 CO 0.00 -0.65 1.23 -1.25 0.00 0.00 0.00 175.76 175.09 1t27 s PRO 78 N -3.66 2.33 0.42 0.00 0.04 -1.26 -4.89 135.00 127.99 1t27 s PRO 78 Ca 0.02 1.85 -0.25 0.00 0.04 0.00 0.00 61.00 62.66 1t27 s PRO 78 Cb 0.01 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 1t27 s PRO 78 CO -0.11 -1.71 1.10 0.39 0.04 0.00 0.00 177.00 176.71 1t27 n GLU 79 N -2.38 1.53 0.00 4.56 1.02 -1.26 -1.75 120.64 122.36 1t27 n GLU 79 Ca 0.14 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 1t27 n GLU 79 Cb 0.50 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 1t27 n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t27 n GLY 80 N 1.06 2.89 0.00 0.62 0.00 -1.26 -4.80 105.19 103.70 1t27 n GLY 80 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 1t27 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t27 n ALA 81 N -0.29 1.89 0.17 4.61 0.00 -0.72 -3.13 120.51 123.05 1t27 n ALA 81 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.43 1t27 n ALA 81 Cb 0.00 -1.31 0.13 0.00 0.00 0.00 0.00 19.45 18.26 1t27 n ALA 81 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1t27 h LEU 82 N 0.00 0.00 -9.80 0.00 3.38 -1.87 -3.42 115.31 103.59 1t27 h LEU 82 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1t27 h LEU 82 Cb 0.32 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.23 1t27 h LEU 82 CO 0.00 0.35 0.12 0.59 0.09 0.00 0.00 178.44 179.58 1t27 n ASN 83 N -3.22 0.78 -4.16 -0.43 3.02 -1.18 -4.65 115.26 105.42 1t27 n ASN 83 Ca 0.02 0.83 -0.21 0.00 -0.03 0.00 0.00 54.58 55.19 1t27 n ASN 83 Cb 0.64 -1.38 -0.14 0.00 -0.61 0.00 0.00 39.78 38.29 1t27 n ASN 83 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1t27 s ILE 84 N -1.50 1.23 -0.13 2.41 -4.36 -0.88 -4.56 121.20 113.41 1t27 s ILE 84 Ca 0.74 -0.99 -0.06 0.00 -0.26 0.00 0.00 60.65 60.07 1t27 s ILE 84 Cb -0.43 -1.09 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 1t27 s ILE 84 CO 0.48 0.08 0.10 -1.00 0.24 0.00 0.00 174.94 174.85 1t27 s HIS 85 N -0.78 3.45 -0.17 1.37 3.76 0.13 -0.80 115.29 122.25 1t27 s HIS 85 Ca 0.03 0.39 0.01 0.00 -0.15 0.00 0.00 55.06 55.35 1t27 s HIS 85 Cb -0.08 -1.95 0.02 0.00 1.11 0.00 0.00 32.58 31.68 1t27 s HIS 85 CO 0.01 0.57 -0.20 -2.00 -0.85 0.00 0.00 174.74 172.28 1t27 s GLU 86 N -0.70 2.95 -0.18 1.40 2.12 0.10 -0.66 118.70 123.74 1t27 s GLU 86 Ca 0.13 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.65 1t27 s GLU 86 Cb -0.12 -2.53 0.02 0.00 0.26 0.00 0.00 34.13 31.76 1t27 s GLU 86 CO 0.03 -0.19 -0.19 0.15 -0.54 0.00 0.00 175.26 174.52 1t27 s LYS 87 N 1.25 3.03 -0.05 4.30 1.02 -0.38 -0.29 119.74 128.61 1t27 s LYS 87 Ca 0.04 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.24 1t27 s LYS 87 Cb -0.13 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1t27 s LYS 87 CO -0.12 -0.18 -0.15 0.00 -0.92 0.00 0.00 175.35 173.99 1t27 s ALA 88 N 1.23 1.40 -0.60 5.17 0.00 -0.43 -0.49 121.76 128.04 1t27 s ALA 88 Ca 0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 51.96 51.35 1t27 s ALA 88 Cb -0.13 -0.54 0.15 0.00 0.00 0.00 0.00 23.12 22.61 1t27 s ALA 88 CO -0.11 0.20 0.47 -1.58 0.00 0.00 0.00 175.76 174.74 1t27 s TRP 89 N 0.34 3.50 -0.82 0.00 0.51 -0.55 -2.06 118.94 119.87 1t27 s TRP 89 Ca -0.09 -2.13 -0.20 0.00 -2.12 0.00 0.00 56.10 51.55 1t27 s TRP 89 Cb -0.14 -3.50 0.10 0.00 -0.81 0.00 0.00 33.47 29.13 1t27 s TRP 89 CO 0.03 -0.95 1.06 1.21 -0.51 0.00 0.00 176.95 177.79 1t27 s ASN 90 N 2.01 6.43 -0.74 2.95 2.47 0.39 -2.46 114.94 125.99 1t27 s ASN 90 Ca 0.12 -1.59 0.01 0.00 0.42 0.00 0.00 52.86 51.82 1t27 s ASN 90 Cb -0.21 -2.41 0.37 0.00 -1.45 0.00 0.00 41.25 37.55 1t27 s ASN 90 CO -0.03 -1.23 1.68 0.00 -3.72 0.00 0.00 177.10 173.79 1t27 n ALA 91 N 7.10 5.95 -1.39 1.71 0.00 0.38 -0.86 120.51 133.39 1t27 n ALA 91 Ca 0.12 -4.27 -0.52 0.00 0.00 0.00 0.00 53.44 48.77 1t27 n ALA 91 Cb 0.47 -1.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 1t27 n ALA 91 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1t27 n TYR 92 N -0.45 0.18 0.55 0.00 9.36 -1.26 -1.27 117.16 124.26 1t27 n TYR 92 Ca 0.47 0.98 0.04 0.00 3.32 0.00 0.00 57.90 62.71 1t27 n TYR 92 Cb 0.37 -1.95 0.25 0.00 -0.63 0.00 0.00 39.34 37.38 1t27 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1t27 n PRO 93 N 1.24 0.28 -4.65 2.98 -0.04 -1.26 -5.07 135.00 128.48 1t27 n PRO 93 Ca 0.18 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.33 1t27 n PRO 93 Cb 0.14 -1.47 -0.12 0.00 -0.04 0.00 0.00 33.50 32.01 1t27 n PRO 93 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1t27 s TYR 94 N -2.00 2.67 -0.11 0.54 5.04 -0.40 -1.47 117.35 121.62 1t27 s TYR 94 Ca 0.13 -0.19 -0.08 0.00 -2.44 0.00 0.00 57.07 54.49 1t27 s TYR 94 Cb 0.06 -1.53 0.03 0.00 0.35 0.00 0.00 41.96 40.87 1t27 s TYR 94 CO 0.10 0.27 0.27 0.00 -1.34 0.00 0.00 175.55 174.85 1t27 s ARG 96 N 0.44 2.59 -0.13 0.00 3.52 -1.03 -0.25 118.95 124.09 1t27 s ARG 96 Ca -0.02 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 54.89 1t27 s ARG 96 Cb -0.04 -2.32 -0.01 0.00 -1.56 0.00 0.00 34.95 31.02 1t27 s ARG 96 CO -0.02 -0.23 -0.16 0.99 -0.81 0.00 0.00 175.30 175.07 1t27 s THR 97 N 1.40 2.78 -0.20 4.11 2.01 0.58 -1.48 115.64 124.83 1t27 s THR 97 Ca 0.05 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1t27 s THR 97 Cb -0.13 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.27 1t27 s THR 97 CO -0.12 0.53 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.50 1t27 s VAL 98 N 0.42 1.97 -0.14 3.82 1.01 0.35 -1.06 120.40 126.76 1t27 s VAL 98 Ca -0.12 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 1t27 s VAL 98 Cb -0.16 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1t27 s VAL 98 CO 0.06 0.32 -0.02 -0.63 0.00 0.00 0.00 175.10 174.83 1t27 s ILE 99 N 1.28 4.04 0.21 2.22 1.01 0.28 -1.24 121.20 128.99 1t27 s ILE 99 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1t27 s ILE 99 Cb -0.15 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 1t27 s ILE 99 CO -0.10 0.51 0.05 0.42 0.00 0.00 0.00 174.94 175.82 1t27 s THR 100 N 0.14 0.60 -0.09 2.92 -4.23 0.17 -1.78 115.64 113.37 1t27 s THR 100 Ca -0.00 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1t27 s THR 100 Cb -0.13 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.36 1t27 s THR 100 CO 0.02 -0.24 -0.05 0.21 -0.54 0.00 0.00 174.62 174.02 1t27 s ASN 101 N -3.24 1.82 0.38 3.99 3.84 -1.26 0.18 114.94 120.65 1t27 s ASN 101 Ca 0.31 -0.22 0.07 0.00 0.21 0.00 0.00 52.86 53.24 1t27 s ASN 101 Cb 0.07 -0.67 0.76 0.00 -0.55 0.00 0.00 41.25 40.85 1t27 s ASN 101 CO 0.09 -0.12 1.94 -0.33 -2.79 0.00 0.00 177.10 175.89 1t27 h GLU 102 N 7.98 0.40 -0.00 0.43 4.39 -1.88 -0.84 114.58 125.06 1t27 h GLU 102 Ca -0.28 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.35 1t27 h GLU 102 Cb 1.14 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1t27 h GLU 102 CO 0.38 0.42 0.00 -0.92 -1.16 0.00 0.00 179.01 177.73 1t27 h TYR 103 N 0.39 0.00 0.00 4.33 3.20 -1.91 -3.19 116.97 119.79 1t27 h TYR 103 Ca 0.09 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1t27 h TYR 103 Cb 0.25 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1t27 h TYR 103 CO 0.01 0.28 -0.37 -1.33 -1.64 0.00 0.00 178.16 175.11 1t27 n MET 104 N -4.95 0.23 0.00 1.82 2.81 -1.21 -4.99 117.12 110.83 1t27 n MET 104 Ca -0.08 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1t27 n MET 104 Cb 0.16 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 1t27 n MET 104 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1t27 n LYS 105 N -2.04 0.00 0.30 0.03 5.02 -0.32 -1.40 118.16 119.75 1t27 n LYS 105 Ca 0.05 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.53 1t27 n LYS 105 Cb 0.42 0.00 0.93 0.00 -0.02 0.00 0.00 35.03 36.36 1t27 n LYS 105 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1t27 h GLU 106 N 0.00 0.00 0.00 1.97 4.39 -1.93 -2.87 114.58 116.14 1t27 h GLU 106 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1t27 h GLU 106 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1t27 h GLU 106 CO 0.00 0.02 0.00 -0.44 -1.16 0.00 0.00 179.01 177.43 1t27 h ASP 107 N 0.00 0.00 -4.58 1.42 3.32 -1.56 -3.44 116.42 111.57 1t27 h ASP 107 Ca -0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 1t27 h ASP 107 Cb 0.26 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.51 1t27 h ASP 107 CO 0.00 0.00 -0.89 0.12 -1.72 0.00 0.00 179.24 176.75 1t27 s PHE 108 N -3.30 2.33 -0.29 4.55 5.36 -1.08 0.01 117.98 125.56 1t27 s PHE 108 Ca 0.05 -0.44 -0.16 0.00 -0.96 0.00 0.00 56.93 55.43 1t27 s PHE 108 Cb 0.10 -1.49 0.12 0.00 -0.34 0.00 0.00 43.02 41.40 1t27 s PHE 108 CO 0.44 -0.03 0.86 -1.17 -1.46 0.00 0.00 175.22 173.87 1t27 s LEU 109 N -0.65 -0.68 -0.24 6.12 2.96 0.38 -4.61 118.68 121.95 1t27 s LEU 109 Ca 0.10 1.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 1t27 s LEU 109 Cb -0.10 1.99 0.06 0.00 0.50 0.00 0.00 46.19 48.65 1t27 s LEU 109 CO -0.01 -0.17 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.19 1t27 s ILE 110 N 1.48 1.37 -0.09 6.68 1.01 -0.73 -0.44 121.20 130.47 1t27 s ILE 110 Ca -0.09 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.41 1t27 s ILE 110 Cb -0.04 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 1t27 s ILE 110 CO -0.17 -0.17 -0.16 -0.75 0.00 0.00 0.00 174.94 173.70 1t27 s LYS 111 N 1.46 2.99 -0.19 2.79 2.20 0.76 -0.56 119.74 129.20 1t27 s LYS 111 Ca -0.04 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1t27 s LYS 111 Cb -0.19 -2.47 0.04 0.00 -1.51 0.00 0.00 37.83 33.70 1t27 s LYS 111 CO -0.07 0.36 -0.11 0.42 -0.36 0.00 0.00 175.35 175.58 1t27 s ILE 112 N -0.04 1.62 -0.21 5.43 1.09 -0.23 -0.25 121.20 128.61 1t27 s ILE 112 Ca -0.04 -0.93 -0.04 0.00 -1.10 0.00 0.00 60.65 58.54 1t27 s ILE 112 Cb -0.14 -1.66 -0.01 0.00 -1.06 0.00 0.00 42.46 39.59 1t27 s ILE 112 CO 0.04 0.22 -0.04 -1.61 -0.10 0.00 0.00 174.94 173.45 1t27 s GLU 113 N 1.42 3.41 -0.04 2.79 2.02 -0.19 -0.31 118.70 127.80 1t27 s GLU 113 Ca -0.00 -0.62 0.07 0.00 0.02 0.00 0.00 54.97 54.44 1t27 s GLU 113 Cb -0.16 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.07 1t27 s GLU 113 CO -0.09 -0.14 -0.24 0.99 0.02 0.00 0.00 175.26 175.80 1t27 s THR 114 N 1.34 1.90 -0.16 3.63 2.01 0.65 -0.39 115.64 124.62 1t27 s THR 114 Ca 0.04 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.05 1t27 s THR 114 Cb -0.14 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.78 1t27 s THR 114 CO -0.02 0.54 -0.19 0.26 -0.69 0.00 0.00 174.62 174.51 1t27 s TRP 115 N -0.34 2.74 -0.39 4.92 0.52 -0.93 -1.25 118.94 124.21 1t27 s TRP 115 Ca 0.03 -1.41 -0.11 0.00 0.02 0.00 0.00 56.10 54.63 1t27 s TRP 115 Cb -0.11 -1.88 0.04 0.00 -1.15 0.00 0.00 33.47 30.37 1t27 s TRP 115 CO 0.01 -0.67 0.23 -1.01 0.02 0.00 0.00 176.95 175.54 1t27 s HIS 116 N 1.04 3.26 0.11 -1.98 3.76 -0.54 -0.46 115.29 120.48 1t27 s HIS 116 Ca -0.01 -1.05 0.06 0.00 -0.15 0.00 0.00 55.06 53.91 1t27 s HIS 116 Cb -0.14 -2.58 -0.04 0.00 1.11 0.00 0.00 32.58 30.92 1t27 s HIS 116 CO -0.06 -0.69 -0.05 0.15 -0.85 0.00 0.00 174.74 173.24 1t27 s LYS 117 N 1.54 2.33 -0.05 1.40 -0.14 -0.37 -4.85 119.74 119.61 1t27 s LYS 117 Ca 0.02 -0.98 0.01 0.00 -1.36 0.00 0.00 55.97 53.66 1t27 s LYS 117 Cb -0.20 -2.40 0.08 0.00 -1.68 0.00 0.00 37.83 33.63 1t27 s LYS 117 CO 0.06 0.51 0.99 -0.35 -0.76 0.00 0.00 175.35 175.80 1t27 n PRO 118 N 0.49 1.22 -1.17 -1.68 -0.04 -1.26 -0.65 135.00 131.92 1t27 n PRO 118 Ca -0.12 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 1t27 n PRO 118 Cb 0.53 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1t27 n PRO 118 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1t27 n ASP 119 N 0.25 1.35 -2.05 3.54 5.75 -1.26 -4.75 116.55 119.37 1t27 n ASP 119 Ca 0.06 -0.70 -0.26 0.00 -0.01 0.00 0.00 54.79 53.88 1t27 n ASP 119 Cb 0.57 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.75 1t27 n ASP 119 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1t27 n LEU 120 N 0.00 6.27 -1.89 -2.12 4.77 -1.26 -3.36 117.00 119.41 1t27 n LEU 120 Ca 0.00 -4.28 -0.14 0.00 -0.03 0.00 0.00 56.01 51.57 1t27 n LEU 120 Cb 0.00 -0.73 0.02 0.00 -2.33 0.00 0.00 43.42 40.38 1t27 n LEU 120 CO 0.00 1.58 -0.01 0.61 -1.33 0.00 0.00 177.39 178.24 1t27 n GLY 121 N -0.92 -0.05 0.74 -0.72 0.00 -1.26 -4.94 105.19 98.04 1t27 n GLY 121 Ca 0.53 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.39 1t27 n GLY 121 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t27 n THR 122 N -4.01 0.31 -2.94 2.61 -2.24 -1.26 -4.94 114.28 101.81 1t27 n THR 122 Ca -0.07 -0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 60.64 1t27 n THR 122 Cb 0.58 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.84 1t27 n THR 122 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1t27 s GLN 123 N -1.24 4.25 -0.07 -0.78 -0.21 -1.26 -5.04 119.66 115.31 1t27 s GLN 123 Ca 0.24 0.91 -0.17 0.00 0.02 0.00 0.00 55.36 56.36 1t27 s GLN 123 Cb 0.15 -3.59 -0.05 0.00 1.00 0.00 0.00 33.01 30.52 1t27 s GLN 123 CO 0.21 -0.35 0.45 -1.21 -2.12 0.00 0.00 175.29 172.27 1t27 s GLU 124 N 2.26 4.21 -1.30 2.91 0.41 -1.26 -4.29 118.70 121.64 1t27 s GLU 124 Ca 0.35 0.44 -0.03 0.00 -0.41 0.00 0.00 54.97 55.32 1t27 s GLU 124 Cb -0.16 -3.36 0.01 0.00 -1.78 0.00 0.00 34.13 28.84 1t27 s GLU 124 CO 0.11 0.35 0.93 -1.71 -0.49 0.00 0.00 175.26 174.44 1t27 n ASN 125 N 3.01 -2.82 0.29 -0.19 5.15 -1.26 -4.87 115.26 114.57 1t27 n ASN 125 Ca -0.10 -0.69 0.17 0.00 -0.60 0.00 0.00 54.58 53.37 1t27 n ASN 125 Cb 0.52 -4.60 0.97 0.00 -0.53 0.00 0.00 39.78 36.14 1t27 n ASN 125 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1t27 h VAL 126 N -2.05 0.36 -0.16 3.44 -1.51 -2.00 0.12 116.25 114.45 1t27 h VAL 126 Ca -0.59 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1t27 h VAL 126 Cb 1.36 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1t27 h VAL 126 CO 0.55 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 178.30 1t27 n HIS 127 N -3.60 0.20 -3.89 5.19 8.25 -1.26 -4.96 115.22 115.15 1t27 n HIS 127 Ca -0.02 -0.10 -0.39 0.00 -0.26 0.00 0.00 57.72 56.95 1t27 n HIS 127 Cb 0.14 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.28 1t27 n HIS 127 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1t27 n LYS 128 N 0.16 -0.72 -0.00 -0.41 5.02 0.43 -5.00 118.16 117.65 1t27 n LYS 128 Ca 0.15 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1t27 n LYS 128 Cb 0.28 -3.19 0.00 0.00 -0.02 0.00 0.00 35.03 32.11 1t27 n LYS 128 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1t27 n LEU 129 N -4.51 0.00 -4.81 -0.35 4.77 -1.26 -5.03 117.00 105.80 1t27 n LEU 129 Ca -0.11 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.49 1t27 n LEU 129 Cb 0.58 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 1t27 n LEU 129 CO 0.71 -0.05 0.10 -0.70 -1.33 0.00 0.00 177.39 176.11 1t27 s GLU 130 N -0.29 4.01 0.12 3.23 2.56 -1.26 -4.92 118.70 122.15 1t27 s GLU 130 Ca 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 54.97 55.19 1t27 s GLU 130 Cb 0.00 -3.27 0.04 0.00 2.00 0.00 0.00 34.13 32.90 1t27 s GLU 130 CO 0.00 0.56 0.99 -0.35 -0.56 0.00 0.00 175.26 175.90 1t27 n PRO 131 N 2.29 -0.22 -0.06 4.30 -0.04 -1.26 -0.39 135.00 139.62 1t27 n PRO 131 Ca -0.13 0.98 -0.14 0.00 -0.04 0.00 0.00 63.50 64.17 1t27 n PRO 131 Cb 0.52 -1.44 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 1t27 n PRO 131 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1t27 h GLU 132 N 0.00 0.48 -0.60 0.54 3.07 -2.00 -2.82 114.58 113.25 1t27 h GLU 132 Ca 0.16 -0.29 0.07 0.00 -0.50 0.00 0.00 59.36 58.80 1t27 h GLU 132 Cb 0.32 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.19 1t27 h GLU 132 CO -0.62 0.88 0.27 0.00 -1.40 0.00 0.00 179.01 178.15 1t27 h ALA 133 N 0.59 0.79 0.00 3.43 0.00 -1.65 0.20 119.26 122.62 1t27 h ALA 133 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1t27 h ALA 133 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1t27 h ALA 133 CO 0.06 -0.11 0.00 2.35 0.00 0.00 0.00 179.25 181.55 1t27 h TRP 134 N 0.50 0.00 0.00 0.00 2.91 -0.68 -1.15 115.95 117.53 1t27 h TRP 134 Ca 0.29 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 60.18 1t27 h TRP 134 Cb 0.28 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.91 1t27 h TRP 134 CO -0.13 0.00 -0.60 0.87 -1.03 0.00 0.00 178.44 177.55 1t27 h LYS 135 N 0.00 0.00 -0.75 2.65 1.79 -0.33 -2.98 116.57 116.95 1t27 h LYS 135 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1t27 h LYS 135 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1t27 h LYS 135 CO 0.00 0.60 0.00 0.72 -1.08 0.00 0.00 179.45 179.69 1t27 n HIS 136 N -3.59 1.18 -3.70 -1.35 8.25 -0.44 -4.77 115.22 110.80 1t27 n HIS 136 Ca -0.00 -0.41 -0.39 0.00 -0.26 0.00 0.00 57.72 56.66 1t27 n HIS 136 Cb 0.65 -0.33 -0.12 0.00 1.12 0.00 0.00 29.99 31.31 1t27 n HIS 136 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1t27 s VAL 137 N -1.99 4.05 0.06 1.59 1.01 -1.13 -4.72 120.40 119.27 1t27 s VAL 137 Ca 0.31 -1.03 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 1t27 s VAL 137 Cb 0.24 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 1t27 s VAL 137 CO 0.09 -0.19 1.28 -0.70 0.00 0.00 0.00 175.10 175.58 1t27 s GLU 138 N 1.45 4.37 -0.27 2.72 2.12 -1.23 -4.83 118.70 123.04 1t27 s GLU 138 Ca -0.00 1.89 -0.11 0.00 0.36 0.00 0.00 54.97 57.10 1t27 s GLU 138 Cb -0.19 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.80 1t27 s GLU 138 CO 0.04 -0.36 0.20 0.00 -0.54 0.00 0.00 175.26 174.59 1t27 s ALA 139 N 1.29 3.56 -0.08 6.30 0.00 -1.26 -0.91 121.76 130.66 1t27 s ALA 139 Ca 0.61 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.61 1t27 s ALA 139 Cb -0.32 -2.45 -0.00 0.00 0.00 0.00 0.00 23.12 20.35 1t27 s ALA 139 CO 0.29 -0.45 -0.22 0.42 0.00 0.00 0.00 175.76 175.80 1t27 s ILE 140 N 1.56 1.85 -0.15 0.00 1.01 0.16 -4.96 121.20 120.67 1t27 s ILE 140 Ca 0.08 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 1t27 s ILE 140 Cb -0.15 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 1t27 s ILE 140 CO 0.09 0.51 0.23 -0.31 0.00 0.00 0.00 174.94 175.46 1t27 s TYR 141 N 0.24 3.50 -0.29 3.97 2.02 -1.26 -0.62 117.35 124.90 1t27 s TYR 141 Ca -0.13 0.54 -0.05 0.00 -0.37 0.00 0.00 57.07 57.06 1t27 s TYR 141 Cb -0.16 -2.21 0.02 0.00 -0.40 0.00 0.00 41.96 39.21 1t27 s TYR 141 CO 0.06 0.38 0.04 0.42 -1.57 0.00 0.00 175.55 174.89 1t27 s ILE 142 N 0.01 3.62 -0.49 2.71 1.01 -0.75 -4.94 121.20 122.37 1t27 s ILE 142 Ca 0.14 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 1t27 s ILE 142 Cb -0.13 -2.88 0.07 0.00 0.01 0.00 0.00 42.46 39.53 1t27 s ILE 142 CO 0.03 0.08 0.49 -0.62 0.00 0.00 0.00 174.94 174.92 1t27 s ASP 143 N 1.43 6.18 0.00 3.58 -1.08 -1.26 -4.25 116.67 121.27 1t27 s ASP 143 Ca 0.01 -1.23 0.07 0.00 -0.52 0.00 0.00 52.55 50.89 1t27 s ASP 143 Cb -0.17 -2.23 0.35 0.00 -1.46 0.00 0.00 42.92 39.41 1t27 s ASP 143 CO 0.00 -0.76 1.16 2.30 0.52 0.00 0.00 175.17 178.39 1t27 n ILE 144 N 5.36 1.14 0.08 4.11 -5.35 -1.26 -1.92 119.36 121.52 1t27 n ILE 144 Ca -0.11 0.29 0.11 0.00 -0.27 0.00 0.00 62.75 62.77 1t27 n ILE 144 Cb 0.44 -1.16 -0.11 0.00 -1.74 0.00 0.00 39.64 37.07 1t27 n ILE 144 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t27 n ALA 145 N -1.38 2.82 -2.32 -1.28 0.00 -1.26 -4.46 120.51 112.62 1t27 n ALA 145 Ca 0.03 -0.44 -0.41 0.00 0.00 0.00 0.00 53.44 52.63 1t27 n ALA 145 Cb 0.07 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1t27 n ALA 145 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1t27 s ASP 146 N -4.68 5.89 0.37 0.00 3.68 -0.81 -4.60 116.67 116.53 1t27 s ASP 146 Ca -0.05 0.16 0.11 0.00 2.13 0.00 0.00 52.55 54.90 1t27 s ASP 146 Cb 0.13 -2.54 0.87 0.00 -1.45 0.00 0.00 42.92 39.93 1t27 s ASP 146 CO 0.87 -1.92 1.86 -0.09 0.13 0.00 0.00 175.17 176.02 1t27 h ARG 147 N 11.93 0.61 0.00 4.34 9.65 -1.90 -0.97 114.38 138.05 1t27 h ARG 147 Ca -0.27 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 1t27 h ARG 147 Cb 1.10 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 1t27 h ARG 147 CO 1.21 0.40 0.00 -1.13 2.80 0.00 0.00 179.97 183.25 1t27 n SER 148 N -4.56 0.00 -0.56 -3.80 3.41 -1.26 -1.78 113.62 105.07 1t27 n SER 148 Ca 0.18 0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.97 1t27 n SER 148 Cb 0.52 -0.28 0.25 0.00 -0.26 0.00 0.00 64.21 64.44 1t27 n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t27 n GLN 149 N -1.28 1.53 -4.08 4.33 6.02 -0.37 -4.90 117.38 118.64 1t27 n GLN 149 Ca 0.07 -1.12 -0.35 0.00 -0.01 0.00 0.00 57.00 55.60 1t27 n GLN 149 Cb 0.12 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.83 1t27 n GLN 149 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1t27 s VAL 150 N -2.24 4.95 0.02 5.09 1.01 -0.73 -5.02 120.40 123.48 1t27 s VAL 150 Ca 0.27 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1t27 s VAL 150 Cb 0.20 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1t27 s VAL 150 CO 0.43 0.50 1.02 -0.76 0.00 0.00 0.00 175.10 176.29 1t27 s LEU 151 N -1.32 4.38 0.30 3.92 1.43 -1.26 -4.93 118.68 121.18 1t27 s LEU 151 Ca 0.18 1.74 -0.02 0.00 -1.03 0.00 0.00 54.13 55.00 1t27 s LEU 151 Cb -0.12 -3.57 0.63 0.00 0.03 0.00 0.00 46.19 43.16 1t27 s LEU 151 CO 0.08 -0.29 1.57 0.77 0.23 0.00 0.00 176.35 178.71 1t27 h SER 152 N 6.73 -0.65 0.66 2.29 4.64 -1.98 0.72 113.55 125.97 1t27 h SER 152 Ca -0.41 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1t27 h SER 152 Cb 1.22 0.53 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 1t27 h SER 152 CO 0.76 -0.34 0.00 0.07 -0.87 0.00 0.00 176.83 176.45 1t27 h LYS 153 N 0.01 0.00 0.00 4.77 -0.00 -2.04 -2.99 116.57 116.32 1t27 h LYS 153 Ca 0.55 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 61.05 1t27 h LYS 153 Cb 1.02 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.23 1t27 h LYS 153 CO -0.96 0.00 -1.20 -0.44 -0.00 0.00 0.00 179.45 176.86 1t27 h ASP 154 N 0.00 0.00 -2.88 7.07 3.32 0.07 -3.48 116.42 120.52 1t27 h ASP 154 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1t27 h ASP 154 Cb 0.33 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.98 1t27 h ASP 154 CO 0.00 0.52 0.54 0.00 -1.72 0.00 0.00 179.24 178.58 1t27 n TYR 155 N -2.94 2.13 -3.47 4.55 9.36 -0.99 -5.00 117.16 120.80 1t27 n TYR 155 Ca -0.07 0.50 -0.12 0.00 3.32 0.00 0.00 57.90 61.53 1t27 n TYR 155 Cb 0.80 -2.43 -0.10 0.00 -0.63 0.00 0.00 39.34 36.98 1t27 n TYR 155 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1t27 s LYS 156 N -1.01 0.28 0.42 2.98 1.02 -1.26 -5.05 119.74 117.12 1t27 s LYS 156 Ca 0.63 0.55 0.23 0.00 0.02 0.00 0.00 55.97 57.40 1t27 s LYS 156 Cb -0.63 -0.48 1.23 0.00 -0.52 0.00 0.00 37.83 37.43 1t27 s LYS 156 CO 0.55 -0.54 1.73 0.00 -0.92 0.00 0.00 175.35 176.16 1t27 h ALA 157 N 8.23 2.44 0.00 5.17 0.00 -1.96 0.59 119.26 133.72 1t27 h ALA 157 Ca -0.18 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1t27 h ALA 157 Cb 1.14 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1t27 h ALA 157 CO 0.24 -0.90 0.00 -0.85 0.00 0.00 0.00 179.25 177.73 1t27 n GLU 158 N -4.62 0.02 -0.41 0.00 0.00 -1.26 -2.07 120.64 112.29 1t27 n GLU 158 Ca 0.29 0.22 0.06 0.00 0.00 0.00 0.00 57.16 57.73 1t27 n GLU 158 Cb 1.06 -1.53 0.19 0.00 0.00 0.00 0.00 31.44 31.17 1t27 n GLU 158 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1t27 n GLU 159 N -1.56 1.83 -3.58 3.44 1.02 0.20 -4.93 120.64 117.07 1t27 n GLU 159 Ca 0.04 -2.91 -0.41 0.00 -0.02 0.00 0.00 57.16 53.86 1t27 n GLU 159 Cb 0.21 -1.67 -0.10 0.00 -0.02 0.00 0.00 31.44 29.86 1t27 n GLU 159 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1t27 s ASP 160 N -2.67 5.70 0.46 1.62 -1.08 -0.88 -4.48 116.67 115.34 1t27 s ASP 160 Ca 0.38 -1.45 0.32 0.00 -0.52 0.00 0.00 52.55 51.28 1t27 s ASP 160 Cb 0.34 -2.01 1.61 0.00 -1.46 0.00 0.00 42.92 41.40 1t27 s ASP 160 CO 0.02 -0.54 1.96 1.55 0.52 0.00 0.00 175.17 178.68 1t27 h PRO 161 N 8.44 0.00 0.00 4.34 0.13 -1.82 -0.32 132.00 142.77 1t27 h PRO 161 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1t27 h PRO 161 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1t27 h PRO 161 CO 0.76 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 1t27 n ALA 162 N -1.93 2.38 0.00 -0.56 0.00 -1.26 -0.89 120.51 118.26 1t27 n ALA 162 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1t27 n ALA 162 Cb 0.11 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1t27 n ALA 162 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1t27 n LYS 163 N -1.00 2.86 -3.19 0.00 5.02 -0.23 -4.53 118.16 117.09 1t27 n LYS 163 Ca 0.18 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.08 1t27 n LYS 163 Cb 0.08 -0.29 -0.05 0.00 -0.02 0.00 0.00 35.03 34.75 1t27 n LYS 163 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1t27 s PHE 164 N -0.45 3.62 -0.16 2.13 5.36 -0.61 -4.82 117.98 123.05 1t27 s PHE 164 Ca 0.00 1.15 -0.00 0.00 -0.96 0.00 0.00 56.93 57.11 1t27 s PHE 164 Cb 0.00 -2.65 0.04 0.00 -0.34 0.00 0.00 43.02 40.07 1t27 s PHE 164 CO 0.00 0.25 -0.07 0.21 -1.46 0.00 0.00 175.22 174.15 1t27 s LYS 165 N 0.23 1.55 0.21 10.12 2.20 -1.26 -2.78 119.74 130.01 1t27 s LYS 165 Ca 0.32 -0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 55.12 1t27 s LYS 165 Cb -0.17 -1.96 -0.11 0.00 -1.51 0.00 0.00 37.83 34.08 1t27 s LYS 165 CO 0.16 -0.39 1.59 0.45 -0.36 0.00 0.00 175.35 176.81 1t27 s SER 166 N 1.62 6.51 0.08 1.43 0.15 0.21 -4.93 113.70 118.78 1t27 s SER 166 Ca 0.02 2.74 -0.00 0.00 0.70 0.00 0.00 55.95 59.40 1t27 s SER 166 Cb -0.15 -2.61 -0.26 0.00 -1.71 0.00 0.00 66.02 61.30 1t27 s SER 166 CO -0.08 -0.86 1.16 -0.29 1.20 0.00 0.00 173.24 174.37 1t27 h ILE 167 N 3.80 1.54 0.00 6.45 2.10 -1.95 -1.55 117.51 127.89 1t27 h ILE 167 Ca -0.44 -3.16 -0.06 0.00 1.08 0.00 0.00 64.86 62.28 1t27 h ILE 167 Cb 1.21 2.89 -0.01 0.00 -1.09 0.00 0.00 36.82 39.82 1t27 h ILE 167 CO 0.89 0.91 -0.47 0.11 -1.08 0.00 0.00 178.15 178.51 1t27 h LYS 168 N 0.05 0.00 0.00 2.19 1.57 -1.95 -3.38 116.57 115.05 1t27 h LYS 168 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1t27 h LYS 168 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.22 1t27 h LYS 168 CO 0.17 0.25 -0.79 0.25 -0.57 0.00 0.00 179.45 178.77 1t27 n THR 169 N -3.09 0.00 -0.90 -0.16 -2.24 -1.26 -5.01 114.28 101.62 1t27 n THR 169 Ca 0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1t27 n THR 169 Cb 0.65 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1t27 n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t27 n GLY 170 N 2.07 0.87 3.78 3.38 0.00 -0.58 -4.99 105.19 109.72 1t27 n GLY 170 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1t27 n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t27 s ARG 171 N -0.10 4.23 0.00 1.61 0.52 -1.26 -4.72 118.95 119.23 1t27 s ARG 171 Ca 0.00 1.49 0.00 0.00 -0.52 0.00 0.00 55.73 56.70 1t27 s ARG 171 Cb 0.00 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.88 1t27 s ARG 171 CO 0.00 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.65 1t27 n GLY 172 N 0.37 0.02 3.80 -3.53 0.00 -1.26 -0.61 105.19 103.98 1t27 n GLY 172 Ca 0.04 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 1t27 n GLY 172 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1t27 s PRO 173 N -2.63 3.78 -0.36 1.61 0.02 -1.12 -4.64 135.00 131.65 1t27 s PRO 173 Ca 0.00 1.29 -0.25 0.00 0.02 0.00 0.00 61.00 62.06 1t27 s PRO 173 Cb 0.00 -2.10 0.01 0.00 0.02 0.00 0.00 34.50 32.44 1t27 s PRO 173 CO 0.00 -0.44 0.90 -0.51 -0.33 0.00 0.00 177.00 176.62 1t27 s LEU 174 N -3.64 4.02 0.90 -5.54 1.43 -0.06 -4.96 118.68 110.83 1t27 s LEU 174 Ca 0.66 0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 54.19 1t27 s LEU 174 Cb -0.15 -3.22 0.17 0.00 0.03 0.00 0.00 46.19 43.02 1t27 s LEU 174 CO 0.22 -0.82 1.25 -0.83 0.23 0.00 0.00 176.35 176.40 1t27 s GLY 175 N 1.85 1.75 0.64 -3.19 0.00 -1.26 -4.19 107.32 102.91 1t27 s GLY 175 Ca 0.37 -1.19 0.32 0.00 0.00 0.00 0.00 44.72 44.22 1t27 s GLY 175 CO 0.18 -0.50 2.05 -2.55 0.00 0.00 0.00 173.10 172.28 1t27 h PRO 176 N -1.37 0.00 0.00 2.90 0.11 -1.96 -1.99 132.00 129.69 1t27 h PRO 176 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1t27 h PRO 176 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1t27 h PRO 176 CO 0.43 0.00 -0.45 0.27 -0.21 0.00 0.00 178.00 178.04 1t27 n ASN 177 N -3.26 1.72 0.00 -2.05 6.94 -1.26 -4.80 115.26 112.55 1t27 n ASN 177 Ca -0.00 -3.48 0.10 0.00 -0.02 0.00 0.00 54.58 51.17 1t27 n ASN 177 Cb 0.34 -0.48 0.51 0.00 -2.36 0.00 0.00 39.78 37.80 1t27 n ASN 177 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 1t27 h TRP 178 N 0.75 0.36 0.14 -2.53 5.08 -1.70 -2.35 115.95 115.70 1t27 h TRP 178 Ca -0.02 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.95 1t27 h TRP 178 Cb 1.10 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 1t27 h TRP 178 CO 0.52 0.19 -0.07 0.87 -1.28 0.00 0.00 178.44 178.68 1t27 h LYS 179 N 0.36 -0.18 0.00 0.12 1.57 -1.87 -1.62 116.57 114.95 1t27 h LYS 179 Ca 0.19 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1t27 h LYS 179 Cb 0.32 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1t27 h LYS 179 CO -0.05 -0.12 0.43 1.96 -0.57 0.00 0.00 179.45 181.10 1t27 h GLN 180 N -0.19 0.00 0.07 3.15 7.50 -1.93 0.38 115.11 124.09 1t27 h GLN 180 Ca -0.02 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 58.88 1t27 h GLN 180 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.66 1t27 h GLN 180 CO 0.03 0.00 -1.18 0.93 -1.50 0.00 0.00 178.83 177.11 1t27 h GLU 181 N 0.00 0.14 -1.02 1.46 5.08 -1.02 -3.31 114.58 115.91 1t27 h GLU 181 Ca 0.00 -0.25 0.30 0.00 -1.00 0.00 0.00 59.36 58.41 1t27 h GLU 181 Cb 0.85 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1t27 h GLU 181 CO 0.00 1.09 0.96 -0.07 -1.00 0.00 0.00 179.01 179.99 1t27 h LEU 182 N 0.04 0.00 0.00 1.33 3.38 0.75 0.46 115.31 121.27 1t27 h LEU 182 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1t27 h LEU 182 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1t27 h LEU 182 CO 0.16 0.00 -0.04 0.52 0.09 0.00 0.00 178.44 179.18 1t27 n VAL 183 N -3.66 0.49 -0.06 1.22 0.31 -1.25 -4.04 118.33 111.34 1t27 n VAL 183 Ca 0.22 -0.24 -0.09 0.00 -0.01 0.00 0.00 64.34 64.23 1t27 n VAL 183 Cb 1.29 -0.54 -0.15 0.00 -0.91 0.00 0.00 33.84 33.53 1t27 n VAL 183 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1t27 n ASN 184 N -2.13 0.42 -4.80 4.52 3.02 0.16 -4.95 115.26 111.50 1t27 n ASN 184 Ca 0.06 0.20 -0.36 0.00 -0.03 0.00 0.00 54.58 54.44 1t27 n ASN 184 Cb 0.42 0.52 -0.07 0.00 -0.61 0.00 0.00 39.78 40.04 1t27 n ASN 184 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1t27 s GLN 185 N -2.57 3.90 0.34 3.52 -0.21 -1.22 -4.96 119.66 118.45 1t27 s GLN 185 Ca -0.07 -0.01 0.06 0.00 0.02 0.00 0.00 55.36 55.35 1t27 s GLN 185 Cb 0.07 -3.31 0.62 0.00 1.00 0.00 0.00 33.01 31.39 1t27 s GLN 185 CO 0.83 0.51 1.85 0.87 -2.12 0.00 0.00 175.29 177.23 1t27 h LYS 186 N 5.78 0.41 -7.21 2.91 6.56 -1.92 -3.43 116.57 119.68 1t27 h LYS 186 Ca -0.48 -0.10 -0.45 0.00 -1.06 0.00 0.00 60.65 58.56 1t27 h LYS 186 Cb 1.19 -0.05 0.08 0.00 -0.57 0.00 0.00 32.23 32.88 1t27 h LYS 186 CO 0.67 0.52 0.17 0.16 -2.06 0.00 0.00 179.45 178.91 1t27 s ASP 187 N -6.80 4.73 -0.16 0.86 1.47 -1.26 -4.78 116.67 110.73 1t27 s ASP 187 Ca -0.07 0.22 -0.02 0.00 1.18 0.00 0.00 52.55 53.86 1t27 s ASP 187 Cb 0.15 -0.84 0.00 0.00 -0.34 0.00 0.00 42.92 41.90 1t27 s ASP 187 CO 0.76 -1.62 0.08 0.00 0.68 0.00 0.00 175.17 175.07 1t27 s PRO 189 N -1.03 -0.62 0.20 0.00 0.04 -1.26 -4.96 135.00 127.37 1t27 s PRO 189 Ca 0.03 -0.38 -0.18 0.00 0.04 0.00 0.00 61.00 60.52 1t27 s PRO 189 Cb -0.01 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 32.86 1t27 s PRO 189 CO 0.35 -3.26 0.53 1.52 0.04 0.00 0.00 177.00 176.19 1t27 s TYR 190 N -3.51 -0.12 0.26 0.56 -0.85 -1.22 -2.85 117.35 109.62 1t27 s TYR 190 Ca 0.75 -0.22 -0.20 0.00 -0.52 0.00 0.00 57.07 56.87 1t27 s TYR 190 Cb -0.05 0.40 0.06 0.00 0.38 0.00 0.00 41.96 42.75 1t27 s TYR 190 CO 0.55 -0.93 0.90 0.00 -1.52 0.00 0.00 175.55 174.55 1t27 s MET 191 N -3.87 1.66 -0.08 -3.49 0.23 -0.94 -4.47 119.30 108.34 1t27 s MET 191 Ca 0.09 -1.03 -0.04 0.00 -1.03 0.00 0.00 55.69 53.68 1t27 s MET 191 Cb -0.01 0.49 0.04 0.00 -1.53 0.00 0.00 34.83 33.82 1t27 s MET 191 CO -0.03 -0.77 0.18 0.00 -2.03 0.00 0.00 175.02 172.37 1t27 s ALA 193 N 0.99 3.51 -0.67 0.00 0.00 -0.39 -1.23 121.76 123.97 1t27 s ALA 193 Ca -0.07 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 1t27 s ALA 193 Cb -0.09 -2.74 0.16 0.00 0.00 0.00 0.00 23.12 20.45 1t27 s ALA 193 CO -0.06 -0.93 0.66 0.71 0.00 0.00 0.00 175.76 176.14 1t27 s TYR 194 N 1.94 3.39 -0.52 0.00 1.51 0.39 -0.81 117.35 123.26 1t27 s TYR 194 Ca 0.11 -1.50 -0.17 0.00 -1.01 0.00 0.00 57.07 54.49 1t27 s TYR 194 Cb -0.16 -3.86 0.09 0.00 -0.11 0.00 0.00 41.96 37.91 1t27 s TYR 194 CO 0.11 -1.07 0.55 0.15 -1.11 0.00 0.00 175.55 174.18 1t27 s LYS 195 N 1.29 3.04 -0.28 -0.62 1.02 0.11 -2.19 119.74 122.10 1t27 s LYS 195 Ca 0.11 -1.28 -0.24 0.00 0.02 0.00 0.00 55.97 54.57 1t27 s LYS 195 Cb -0.21 -4.18 0.00 0.00 -0.52 0.00 0.00 37.83 32.92 1t27 s LYS 195 CO -0.01 -1.25 0.84 -1.17 -0.92 0.00 0.00 175.35 172.83 1t27 s LEU 196 N 2.14 4.07 -0.18 3.17 2.96 0.47 -0.30 118.68 131.01 1t27 s LEU 196 Ca 0.09 0.84 -0.03 0.00 -0.22 0.00 0.00 54.13 54.81 1t27 s LEU 196 Cb -0.24 -3.17 -0.02 0.00 0.50 0.00 0.00 46.19 43.26 1t27 s LEU 196 CO 0.07 -0.61 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.75 1t27 s VAL 197 N 3.00 3.51 -0.18 1.68 1.01 0.14 -1.02 120.40 128.54 1t27 s VAL 197 Ca 0.35 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1t27 s VAL 197 Cb -0.14 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 1t27 s VAL 197 CO 0.11 0.46 -0.10 -0.89 0.00 0.00 0.00 175.10 174.68 1t27 s THR 198 N 0.89 3.01 -0.10 3.92 2.01 0.66 -1.47 115.64 124.56 1t27 s THR 198 Ca -0.01 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.39 1t27 s THR 198 Cb -0.15 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.05 1t27 s THR 198 CO 0.01 0.48 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.54 1t27 s VAL 199 N 1.08 1.70 -0.09 3.82 1.01 -0.79 -0.17 120.40 126.96 1t27 s VAL 199 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1t27 s VAL 199 Cb -0.15 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1t27 s VAL 199 CO -0.02 0.48 -0.09 -0.75 0.00 0.00 0.00 175.10 174.71 1t27 s LYS 200 N 0.59 1.58 -0.42 2.72 2.20 0.42 -1.21 119.74 125.62 1t27 s LYS 200 Ca -0.15 -0.31 0.05 0.00 -0.36 0.00 0.00 55.97 55.20 1t27 s LYS 200 Cb -0.17 -1.50 0.19 0.00 -1.51 0.00 0.00 37.83 34.84 1t27 s LYS 200 CO 0.05 -0.15 0.43 0.34 -0.36 0.00 0.00 175.35 175.65 1t27 n PHE 201 N 4.49 -1.20 -2.49 4.03 7.35 -1.21 -0.47 117.46 127.96 1t27 n PHE 201 Ca -0.17 -3.11 -0.40 0.00 -0.76 0.00 0.00 57.45 53.01 1t27 n PHE 201 Cb 0.51 0.31 -0.02 0.00 0.35 0.00 0.00 39.48 40.63 1t27 n PHE 201 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1t27 s LYS 202 N -0.07 3.61 -0.10 -4.13 2.20 0.10 -3.97 119.74 117.38 1t27 s LYS 202 Ca 0.33 -1.48 0.02 0.00 -0.36 0.00 0.00 55.97 54.48 1t27 s LYS 202 Cb 0.07 -5.41 0.01 0.00 -1.51 0.00 0.00 37.83 30.99 1t27 s LYS 202 CO -0.17 -2.47 -0.14 -0.46 -0.36 0.00 0.00 175.35 171.75 1t27 s TRP 203 N 5.53 1.79 -0.44 4.03 -0.11 -1.26 -4.85 118.94 123.64 1t27 s TRP 203 Ca 0.53 -0.80 -0.32 0.00 1.22 0.00 0.00 56.10 56.73 1t27 s TRP 203 Cb 0.01 -1.31 -0.11 0.00 -1.50 0.00 0.00 33.47 30.56 1t27 s TRP 203 CO 0.01 -0.42 2.30 1.87 -4.62 0.00 0.00 176.95 176.09 1t27 n TRP 204 N 4.15 1.49 -0.26 5.86 -0.00 -1.26 -1.42 117.44 126.00 1t27 n TRP 204 Ca -0.19 0.21 0.00 0.00 -0.00 0.00 0.00 57.50 57.52 1t27 n TRP 204 Cb 0.51 -2.56 0.00 0.00 -0.00 0.00 0.00 31.31 29.27 1t27 n TRP 204 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1t27 n GLY 205 N 6.36 1.12 0.00 5.87 0.00 -1.26 -4.84 105.19 112.44 1t27 n GLY 205 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1t27 n GLY 205 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t27 n LEU 206 N 0.00 0.00 -0.29 0.99 4.77 -0.50 -4.83 117.00 117.13 1t27 n LEU 206 Ca 0.00 -0.28 -0.06 0.00 -0.03 0.00 0.00 56.01 55.64 1t27 n LEU 206 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1t27 n LEU 206 CO 0.00 0.00 0.58 -0.61 -1.33 0.00 0.00 177.39 176.03 1t27 h GLN 207 N 0.00 -0.11 -0.65 3.23 4.15 -1.49 -0.10 115.11 120.13 1t27 h GLN 207 Ca 0.00 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 1t27 h GLN 207 Cb 0.00 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1t27 h GLN 207 CO 0.00 -0.07 0.23 -0.97 -1.93 0.00 0.00 178.83 176.09 1t27 h ASN 208 N -0.11 0.93 -0.08 -0.69 -1.24 -1.88 -1.35 115.58 111.16 1t27 h ASN 208 Ca 0.24 -0.19 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 1t27 h ASN 208 Cb 0.55 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1t27 h ASN 208 CO -0.82 0.87 -0.01 0.50 -1.29 0.00 0.00 177.43 176.68 1t27 h LYS 209 N 0.94 0.14 -0.07 6.67 3.64 -1.67 -3.01 116.57 123.21 1t27 h LYS 209 Ca 0.21 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.35 1t27 h LYS 209 Cb 0.25 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1t27 h LYS 209 CO -0.01 0.43 -0.77 0.28 -2.27 0.00 0.00 179.45 177.11 1t27 h VAL 210 N -0.16 1.38 -0.34 2.00 2.07 -1.06 -0.44 116.25 119.69 1t27 h VAL 210 Ca 0.02 -2.18 -0.05 0.00 0.82 0.00 0.00 66.70 65.31 1t27 h VAL 210 Cb 0.37 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1t27 h VAL 210 CO 0.01 0.66 0.00 -0.33 0.02 0.00 0.00 177.57 177.93 1t27 h GLU 211 N 0.29 0.52 0.08 1.57 5.08 -1.32 0.30 114.58 121.10 1t27 h GLU 211 Ca -0.04 -0.11 -0.27 0.00 -1.00 0.00 0.00 59.36 57.94 1t27 h GLU 211 Cb 1.36 -0.08 0.03 0.00 0.50 0.00 0.00 28.75 30.56 1t27 h GLU 211 CO 0.13 0.54 -1.11 -0.91 -1.00 0.00 0.00 179.01 176.67 1t27 h ASN 212 N 0.50 0.83 -0.81 1.42 2.35 -1.49 -2.82 115.58 115.56 1t27 h ASN 212 Ca 0.11 -0.81 -0.01 0.00 -0.55 0.00 0.00 56.30 55.04 1t27 h ASN 212 Cb 0.32 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1t27 h ASN 212 CO 0.01 1.55 0.46 0.15 -1.65 0.00 0.00 177.43 177.94 1t27 h PHE 213 N 0.22 1.10 -0.58 1.19 3.04 -0.55 -2.07 116.94 119.28 1t27 h PHE 213 Ca -0.16 -0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.68 1t27 h PHE 213 Cb 1.79 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 39.93 1t27 h PHE 213 CO 0.12 0.76 0.00 0.82 -2.02 0.00 0.00 178.31 177.99 1t27 h ILE 214 N 1.12 1.26 -0.52 1.41 2.04 -0.45 -2.02 117.51 120.35 1t27 h ILE 214 Ca 0.29 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1t27 h ILE 214 Cb 0.01 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1t27 h ILE 214 CO -0.05 0.41 0.27 0.45 0.00 0.00 0.00 178.15 179.23 1t27 h HIS 215 N 0.93 0.73 -0.80 1.37 3.86 -1.22 -0.92 115.15 119.10 1t27 h HIS 215 Ca 0.17 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1t27 h HIS 215 Cb 0.53 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 1t27 h HIS 215 CO 0.04 0.56 0.53 0.87 0.86 0.00 0.00 177.93 180.78 1t27 h LYS 216 N 0.69 1.02 -0.13 2.45 1.79 -1.15 0.18 116.57 121.44 1t27 h LYS 216 Ca 0.18 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 58.45 1t27 h LYS 216 Cb 0.08 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 1t27 h LYS 216 CO -0.03 0.68 -0.51 1.96 -1.08 0.00 0.00 179.45 180.47 1t27 h GLN 217 N 1.06 0.34 -0.36 3.15 1.08 -0.95 -0.23 115.11 119.21 1t27 h GLN 217 Ca 0.30 -0.20 -0.16 0.00 -1.45 0.00 0.00 58.65 57.14 1t27 h GLN 217 Cb -0.08 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1t27 h GLN 217 CO -0.07 0.77 -0.41 0.93 -0.95 0.00 0.00 178.83 179.11 1t27 h GLU 218 N 0.27 0.91 -0.66 1.46 4.39 -0.06 0.56 114.58 121.44 1t27 h GLU 218 Ca 0.01 -0.50 -0.06 0.00 0.34 0.00 0.00 59.36 59.15 1t27 h GLU 218 Cb 0.99 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 1t27 h GLU 218 CO 0.08 1.15 0.18 -0.22 -1.16 0.00 0.00 179.01 179.04 1t27 h LYS 219 N 0.71 1.05 -0.27 2.33 3.64 -0.51 0.95 116.57 124.47 1t27 h LYS 219 Ca 0.05 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1t27 h LYS 219 Cb 1.00 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1t27 h LYS 219 CO 0.10 0.93 0.10 -0.09 -2.27 0.00 0.00 179.45 178.22 1t27 h ARG 220 N 0.97 0.40 -0.51 1.90 2.43 -0.90 -1.40 114.38 117.27 1t27 h ARG 220 Ca 0.21 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1t27 h ARG 220 Cb 0.34 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1t27 h ARG 220 CO -0.00 0.45 0.29 1.25 -1.51 0.00 0.00 179.97 180.44 1t27 h LEU 221 N 0.28 0.64 -0.83 3.80 5.85 -0.50 -1.89 115.31 122.66 1t27 h LEU 221 Ca 0.09 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1t27 h LEU 221 Cb 0.20 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1t27 h LEU 221 CO -0.01 0.54 0.33 -0.26 -0.34 0.00 0.00 178.44 178.70 1t27 h PHE 222 N 0.69 1.21 0.54 1.25 0.05 -0.68 0.81 116.94 120.80 1t27 h PHE 222 Ca 0.18 -0.08 -0.03 0.00 3.82 0.00 0.00 57.97 61.86 1t27 h PHE 222 Cb 0.04 -0.36 0.01 0.00 2.00 0.00 0.00 35.95 37.63 1t27 h PHE 222 CO -0.02 0.90 -0.26 1.15 -0.18 0.00 0.00 178.31 179.91 1t27 h THR 223 N 1.16 0.41 -0.72 -1.55 2.02 -1.02 -2.12 112.91 111.09 1t27 h THR 223 Ca 0.27 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1t27 h THR 223 Cb 0.20 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1t27 h THR 223 CO -0.02 0.04 0.32 0.78 0.37 0.00 0.00 175.52 177.01 1t27 h ASN 224 N -0.91 0.96 -0.13 4.18 2.35 -1.31 -2.00 115.58 118.73 1t27 h ASN 224 Ca -0.07 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1t27 h ASN 224 Cb 0.62 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1t27 h ASN 224 CO 0.12 0.85 0.02 0.15 -1.65 0.00 0.00 177.43 176.92 1t27 h PHE 225 N 1.02 0.03 0.00 1.19 3.57 -0.85 -1.21 116.94 120.69 1t27 h PHE 225 Ca 0.24 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.66 1t27 h PHE 225 Cb 0.16 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1t27 h PHE 225 CO 0.01 0.01 -0.46 0.45 -2.23 0.00 0.00 178.31 176.09 1t27 h HIS 226 N 0.07 0.00 -0.20 0.41 3.86 -1.30 0.53 115.15 118.52 1t27 h HIS 226 Ca 0.06 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.13 1t27 h HIS 226 Cb 0.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1t27 h HIS 226 CO -0.13 0.46 -0.45 0.00 0.86 0.00 0.00 177.93 178.67 1t27 h ARG 227 N 0.00 0.50 -0.23 2.45 3.08 -1.16 -2.15 114.38 116.86 1t27 h ARG 227 Ca -0.00 -0.27 -0.16 0.00 0.07 0.00 0.00 59.98 59.61 1t27 h ARG 227 Cb 1.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1t27 h ARG 227 CO 0.06 0.85 -0.48 1.96 -1.07 0.00 0.00 179.97 181.29 1t27 h GLN 228 N 0.41 0.74 -0.60 0.04 4.20 -0.82 -2.34 115.11 116.75 1t27 h GLN 228 Ca 0.03 -0.48 0.04 0.00 0.06 0.00 0.00 58.65 58.29 1t27 h GLN 228 Cb 0.95 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.75 1t27 h GLN 228 CO 0.08 1.11 0.35 1.25 -0.67 0.00 0.00 178.83 180.95 1t27 h LEU 229 N 0.47 0.55 -0.00 1.46 6.46 -0.75 0.83 115.31 124.33 1t27 h LEU 229 Ca 0.01 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1t27 h LEU 229 Cb 1.09 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1t27 h LEU 229 CO 0.11 0.37 0.00 0.15 -0.62 0.00 0.00 178.44 178.45 1t27 h PHE 230 N 0.68 0.00 0.00 1.25 3.57 -1.41 -2.80 116.94 118.23 1t27 h PHE 230 Ca 0.25 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1t27 h PHE 230 Cb 0.08 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1t27 h PHE 230 CO -0.07 0.27 0.00 0.00 -2.23 0.00 0.00 178.31 176.29 1t27 n TRP 232 N -2.32 0.84 -0.30 0.00 8.01 0.25 -4.62 117.44 119.30 1t27 n TRP 232 Ca -0.00 -0.42 0.14 0.00 -1.31 0.00 0.00 57.50 55.91 1t27 n TRP 232 Cb 0.13 0.00 0.30 0.00 -2.01 0.00 0.00 31.31 29.73 1t27 n TRP 232 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 1t27 h LEU 233 N 4.00 -0.00 -1.54 -0.99 5.85 -0.44 0.25 115.31 122.45 1t27 h LEU 233 Ca 0.00 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1t27 h LEU 233 Cb 0.91 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1t27 h LEU 233 CO 0.00 -0.17 -0.01 0.44 -0.34 0.00 0.00 178.44 178.36 1t27 h ASP 234 N 0.20 0.00 1.45 1.25 3.32 -1.83 -1.09 116.42 119.72 1t27 h ASP 234 Ca 0.57 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.51 1t27 h ASP 234 Cb 1.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1t27 h ASP 234 CO -0.67 0.01 -0.55 0.11 -1.72 0.00 0.00 179.24 176.41 1t27 h LYS 235 N 0.00 0.00 0.00 3.56 1.57 -0.84 -3.40 116.57 117.45 1t27 h LYS 235 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1t27 h LYS 235 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1t27 h LYS 235 CO 0.00 0.50 -0.09 -2.67 -0.57 0.00 0.00 179.45 176.63 1t27 n TRP 236 N -3.21 0.00 -0.01 -1.35 4.27 -1.13 -4.82 117.44 111.19 1t27 n TRP 236 Ca 0.01 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.79 1t27 n TRP 236 Cb 0.74 0.00 0.62 0.00 -1.36 0.00 0.00 31.31 31.31 1t27 n TRP 236 CO 0.00 0.00 0.00 -0.24 -2.29 0.00 0.00 177.69 175.16 1t27 h VAL 237 N 0.00 0.81 -0.01 -1.67 3.04 -1.42 -1.25 116.25 115.75 1t27 h VAL 237 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1t27 h VAL 237 Cb 0.00 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 1t27 h VAL 237 CO 0.00 0.03 -0.12 0.47 -1.01 0.00 0.00 177.57 176.93 1t27 n ASP 238 N -4.43 1.52 -4.80 3.17 8.00 -1.26 -4.91 116.55 113.84 1t27 n ASP 238 Ca 0.09 -1.34 -0.35 0.00 0.71 0.00 0.00 54.79 53.90 1t27 n ASP 238 Cb 0.48 0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.61 1t27 n ASP 238 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1t27 s LEU 239 N -2.21 4.00 0.52 0.64 1.43 -0.47 -5.06 118.68 117.53 1t27 s LEU 239 Ca 0.31 1.91 0.08 0.00 -1.03 0.00 0.00 54.13 55.40 1t27 s LEU 239 Cb 0.20 -4.39 0.05 0.00 0.03 0.00 0.00 46.19 42.08 1t27 s LEU 239 CO 0.41 -0.55 0.63 0.42 0.23 0.00 0.00 176.35 177.49 1t27 s THR 240 N -1.88 2.26 0.38 5.49 -4.23 -1.26 -4.98 115.64 111.42 1t27 s THR 240 Ca 0.62 -1.14 0.14 0.00 -1.18 0.00 0.00 61.69 60.13 1t27 s THR 240 Cb -0.17 -2.40 0.12 0.00 1.34 0.00 0.00 72.50 71.40 1t27 s THR 240 CO 0.21 0.00 1.87 0.24 -0.54 0.00 0.00 174.62 176.41 1t27 h MET 241 N 0.48 0.00 -0.22 3.99 0.00 -2.00 -2.26 114.93 114.92 1t27 h MET 241 Ca -0.34 0.00 -0.09 0.00 0.00 0.00 0.00 59.70 59.26 1t27 h MET 241 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.87 1t27 h MET 241 CO 0.47 0.32 -0.27 0.22 0.00 0.00 0.00 176.91 177.65 1t27 h ASP 242 N 0.00 0.42 -0.17 1.22 -0.00 -2.01 -2.51 116.42 113.37 1t27 h ASP 242 Ca -0.00 -0.14 -0.15 0.00 -0.00 0.00 0.00 57.03 56.74 1t27 h ASP 242 Cb 0.57 -0.11 -0.01 0.00 -0.00 0.00 0.00 39.33 39.78 1t27 h ASP 242 CO 0.04 0.68 -0.42 0.44 -0.00 0.00 0.00 179.24 179.98 1t27 h ASP 243 N 0.37 0.77 0.42 2.28 3.32 -1.80 -3.11 116.42 118.66 1t27 h ASP 243 Ca 0.05 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 1t27 h ASP 243 Cb 0.67 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1t27 h ASP 243 CO 0.05 1.09 -0.20 0.40 -1.72 0.00 0.00 179.24 178.86 1t27 h ILE 244 N 0.58 0.59 -0.53 0.35 1.08 -1.20 -0.91 117.51 117.46 1t27 h ILE 244 Ca 0.04 -0.08 0.11 0.00 -0.39 0.00 0.00 64.86 64.54 1t27 h ILE 244 Cb 0.97 0.63 -0.10 0.00 -3.07 0.00 0.00 36.82 35.25 1t27 h ILE 244 CO 0.09 0.02 -0.18 0.03 -0.69 0.00 0.00 178.15 177.42 1t27 h ARG 245 N -0.61 -0.05 -0.13 2.37 2.47 -1.48 0.44 114.38 117.40 1t27 h ARG 245 Ca -0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1t27 h ARG 245 Cb 0.46 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1t27 h ARG 245 CO 0.09 -0.03 0.08 0.00 0.56 0.00 0.00 179.97 180.68 1t27 h ARG 246 N -0.05 0.17 -0.09 0.04 3.08 -1.47 -2.34 114.38 113.72 1t27 h ARG 246 Ca 0.25 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.31 1t27 h ARG 246 Cb 0.44 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1t27 h ARG 246 CO -0.58 0.13 0.06 0.52 -1.07 0.00 0.00 179.97 179.04 1t27 h MET 247 N 0.16 0.05 -0.26 0.04 2.86 0.35 -2.51 114.93 115.62 1t27 h MET 247 Ca 0.05 -0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.50 1t27 h MET 247 Cb -0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1t27 h MET 247 CO -0.01 0.03 -0.56 0.93 1.06 0.00 0.00 176.91 178.36 1t27 h GLU 248 N 0.05 0.81 -0.05 1.72 5.08 0.34 -1.27 114.58 121.26 1t27 h GLU 248 Ca 0.04 -0.52 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 1t27 h GLU 248 Cb 0.09 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1t27 h GLU 248 CO -0.00 1.15 -0.26 0.93 -1.00 0.00 0.00 179.01 179.83 1t27 h GLU 249 N 0.62 0.08 0.05 2.33 5.08 -1.15 -1.27 114.58 120.32 1t27 h GLU 249 Ca 0.01 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 1t27 h GLU 249 Cb 1.16 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.42 1t27 h GLU 249 CO 0.12 0.34 -0.89 0.93 -1.00 0.00 0.00 179.01 178.51 1t27 h GLU 250 N 0.07 0.51 -0.81 2.33 5.08 -1.43 -3.17 114.58 117.15 1t27 h GLU 250 Ca 0.01 -0.62 0.06 0.00 -1.00 0.00 0.00 59.36 57.81 1t27 h GLU 250 Cb 0.50 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 1t27 h GLU 250 CO 0.04 1.24 0.50 1.15 -1.00 0.00 0.00 179.01 180.94 1t27 h THR 251 N 0.05 1.05 -0.64 1.13 2.02 -0.85 0.62 112.91 116.29 1t27 h THR 251 Ca -0.13 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 66.78 1t27 h THR 251 Cb 1.60 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 1t27 h THR 251 CO 0.17 0.17 0.37 0.50 0.37 0.00 0.00 175.52 177.10 1t27 h LYS 252 N 0.93 0.69 -0.01 6.66 3.11 -1.29 0.45 116.57 127.10 1t27 h LYS 252 Ca 0.35 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 58.15 1t27 h LYS 252 Cb 0.14 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.22 1t27 h LYS 252 CO -0.16 0.46 0.00 0.00 -2.81 0.00 0.00 179.45 176.94 1t27 h ARG 253 N 0.71 0.02 -0.62 1.90 3.08 -1.30 -2.71 114.38 115.45 1t27 h ARG 253 Ca 0.28 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.40 1t27 h ARG 253 Cb 0.11 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1t27 h ARG 253 CO -0.15 0.25 0.29 1.96 -1.07 0.00 0.00 179.97 181.25 1t27 h GLN 254 N -0.22 0.51 -0.61 0.04 4.20 -0.24 -0.53 115.11 118.26 1t27 h GLN 254 Ca 0.00 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1t27 h GLN 254 Cb 0.24 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 1t27 h GLN 254 CO 0.00 0.34 0.37 -0.07 -0.67 0.00 0.00 178.83 178.80 1t27 h LEU 255 N 0.52 0.61 0.08 1.46 3.38 -0.04 0.10 115.31 121.41 1t27 h LEU 255 Ca 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1t27 h LEU 255 Cb 0.29 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1t27 h LEU 255 CO -0.24 0.42 -0.04 0.44 0.09 0.00 0.00 178.44 179.11 1t27 h ASP 256 N 0.73 -0.09 0.03 -0.43 3.32 -1.05 -0.74 116.42 118.19 1t27 h ASP 256 Ca 0.24 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.16 1t27 h ASP 256 Cb 0.02 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1t27 h ASP 256 CO -0.10 0.11 -0.24 -0.33 -1.72 0.00 0.00 179.24 176.96 1t27 h GLU 257 N -0.28 -0.38 -0.90 3.56 5.08 -0.84 -2.61 114.58 118.22 1t27 h GLU 257 Ca -0.01 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1t27 h GLU 257 Cb 0.24 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1t27 h GLU 257 CO 0.02 -0.25 0.59 0.52 -1.00 0.00 0.00 179.01 178.89 1t27 h MET 258 N -0.39 1.10 -0.11 2.33 2.86 -0.78 -2.48 114.93 117.47 1t27 h MET 258 Ca 0.05 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1t27 h MET 258 Cb 0.46 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1t27 h MET 258 CO -0.20 0.73 -0.06 -0.09 1.06 0.00 0.00 176.91 178.35 1t27 h ARG 259 N 1.14 0.16 0.12 1.72 2.43 -0.76 -2.74 114.38 116.45 1t27 h ARG 259 Ca 0.35 -0.02 -0.33 0.00 -0.81 0.00 0.00 59.98 59.17 1t27 h ARG 259 Cb -0.00 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1t27 h ARG 259 CO -0.10 0.24 -1.73 1.96 -1.51 0.00 0.00 179.97 178.82 1t27 h GLN 260 N 0.16 0.26 0.00 0.20 1.08 -1.15 0.80 115.11 116.45 1t27 h GLN 260 Ca 0.04 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 1t27 h GLN 260 Cb 0.22 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1t27 h GLN 260 CO 0.01 1.11 0.00 1.63 -0.95 0.00 0.00 178.83 180.63 1t27 n LYS 261 N -3.44 0.00 -0.97 1.46 4.76 -0.98 -4.77 118.16 114.22 1t27 n LYS 261 Ca -0.23 0.01 -0.31 0.00 -2.87 0.00 0.00 58.31 54.91 1t27 n LYS 261 Cb 1.05 -0.25 0.01 0.00 -1.84 0.00 0.00 35.03 34.00 1t27 n LYS 261 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1t27 n ASP 262 N -1.08 -3.51 -4.76 4.39 10.43 -1.04 -4.48 116.55 116.50 1t27 n ASP 262 Ca 0.00 0.44 -0.27 0.00 2.57 0.00 0.00 54.79 57.53 1t27 n ASP 262 Cb 0.00 -0.68 0.10 0.00 1.84 0.00 0.00 41.12 42.38 1t27 n ASP 262 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1t27 s PRO 263 N -1.04 1.82 0.33 -0.24 0.04 -1.26 0.20 135.00 134.86 1t27 s PRO 263 Ca 0.43 -0.27 -0.28 0.00 0.04 0.00 0.00 61.00 60.92 1t27 s PRO 263 Cb -0.34 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 32.00 1t27 s PRO 263 CO 0.58 -1.55 1.31 0.28 0.04 0.00 0.00 177.00 177.66 1t27 n VAL 264 N -3.16 1.89 -3.95 -0.36 0.31 -1.25 -3.26 118.33 108.54 1t27 n VAL 264 Ca 0.10 -0.47 -0.10 0.00 -0.01 0.00 0.00 64.34 63.86 1t27 n VAL 264 Cb 0.60 -1.58 -0.06 0.00 -0.91 0.00 0.00 33.84 31.89 1t27 n VAL 264 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1t27 s LYS 265 N -1.72 1.28 0.00 5.55 -2.85 -1.26 -4.91 119.74 115.82 1t27 s LYS 265 Ca 0.57 -1.17 0.00 0.00 -1.00 0.00 0.00 55.97 54.36 1t27 s LYS 265 Cb -0.57 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 35.61 1t27 s LYS 265 CO 0.61 -0.49 0.00 0.41 0.10 0.00 0.00 175.35 175.98 1t27 n GLY 266 N -0.27 -0.58 3.63 0.59 0.00 -1.23 -4.41 105.19 102.91 1t27 n GLY 266 Ca -0.06 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 1t27 n GLY 266 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1t27 s MET 267 N 0.00 3.70 0.60 1.61 -1.94 -1.26 -4.98 119.30 117.03 1t27 s MET 267 Ca 0.00 1.85 -0.15 0.00 -1.71 0.00 0.00 55.69 55.68 1t27 s MET 267 Cb 0.00 -4.12 -0.03 0.00 2.01 0.00 0.00 34.83 32.68 1t27 s MET 267 CO 0.00 -1.42 1.06 0.95 -0.01 0.00 0.00 175.02 175.60 1t27 s THR 268 N 5.74 3.76 0.82 2.05 -4.23 -1.26 -4.85 115.64 117.67 1t27 s THR 268 Ca 0.80 0.82 -0.16 0.00 -1.18 0.00 0.00 61.69 61.97 1t27 s THR 268 Cb -0.29 -3.36 -0.06 0.00 1.34 0.00 0.00 72.50 70.14 1t27 s THR 268 CO 0.32 -0.50 0.11 0.00 -0.54 0.00 0.00 174.62 174.01 1t27 n ALA 269 N -2.11 -2.91 -0.24 3.99 0.00 -1.26 -5.01 120.51 112.97 1t27 n ALA 269 Ca 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1t27 n ALA 269 Cb 0.53 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1t27 n ALA 269 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10