#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s20 s VAL 3 N 0.00 2.15 0.59 -0.18 -7.23 -0.22 -4.93 120.40 110.58 1s20 s VAL 3 Ca 0.00 -2.12 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 1s20 s VAL 3 Cb 0.00 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.89 1s20 s VAL 3 CO 0.00 -0.31 0.88 0.42 -0.31 0.00 0.00 175.10 175.78 1s20 s THR 4 N -2.16 3.34 0.26 5.32 -4.23 -1.26 -1.50 115.64 115.41 1s20 s THR 4 Ca 0.22 -0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 1s20 s THR 4 Cb -0.06 -3.33 0.27 0.00 1.34 0.00 0.00 72.50 70.73 1s20 s THR 4 CO 0.10 -0.31 1.90 0.15 -0.54 0.00 0.00 174.62 175.91 1s20 h PHE 5 N -0.16 1.22 -0.20 3.99 3.04 -1.97 -1.14 116.94 121.72 1s20 h PHE 5 Ca -0.45 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.49 1s20 h PHE 5 Cb 1.27 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 39.37 1s20 h PHE 5 CO 0.43 0.67 -0.05 0.93 -2.02 0.00 0.00 178.31 178.28 1s20 h GLU 6 N 1.23 0.39 -0.15 1.11 4.39 -1.98 -0.08 114.58 119.49 1s20 h GLU 6 Ca 0.42 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 60.01 1s20 h GLU 6 Cb 0.08 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 1s20 h GLU 6 CO -0.15 0.64 -0.09 1.96 -1.16 0.00 0.00 179.01 180.21 1s20 h GLN 7 N 0.11 -0.08 -0.12 2.33 4.20 -1.84 0.43 115.11 120.14 1s20 h GLN 7 Ca 0.05 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.79 1s20 h GLN 7 Cb 0.49 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1s20 h GLN 7 CO 0.02 -0.05 -0.05 1.25 -0.67 0.00 0.00 178.83 179.33 1s20 h LEU 8 N -0.08 -0.16 0.16 1.46 5.85 -1.17 -1.45 115.31 119.92 1s20 h LEU 8 Ca 0.09 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1s20 h LEU 8 Cb 0.22 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1s20 h LEU 8 CO -0.20 -0.07 -0.08 0.50 -0.34 0.00 0.00 178.44 178.25 1s20 h LYS 9 N -0.03 -0.21 -0.61 1.25 3.64 -0.50 -2.34 116.57 117.77 1s20 h LYS 9 Ca 0.06 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.58 1s20 h LYS 9 Cb 0.13 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 31.89 1s20 h LYS 9 CO -0.14 -0.14 0.02 0.00 -2.27 0.00 0.00 179.45 176.91 1s20 h ALA 10 N 0.62 0.62 0.21 5.00 0.00 0.06 0.27 119.26 126.05 1s20 h ALA 10 Ca -0.02 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1s20 h ALA 10 Cb 0.17 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1s20 h ALA 10 CO 0.03 -0.39 -0.44 0.00 0.00 0.00 0.00 179.25 178.46 1s20 h ALA 11 N 1.55 -0.85 -0.62 0.00 0.00 -1.06 0.54 119.26 118.83 1s20 h ALA 11 Ca 0.32 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1s20 h ALA 11 Cb 0.52 0.71 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1s20 h ALA 11 CO -0.51 -1.04 0.18 0.74 0.00 0.00 0.00 179.25 178.62 1s20 h PHE 12 N -0.74 0.30 -0.61 0.00 0.05 -0.72 -1.39 116.94 113.82 1s20 h PHE 12 Ca -0.00 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 1s20 h PHE 12 Cb 0.72 -0.04 -0.03 0.00 2.00 0.00 0.00 35.95 38.61 1s20 h PHE 12 CO -0.34 0.02 0.38 -0.97 -0.18 0.00 0.00 178.31 177.21 1s20 h ASN 13 N 0.32 0.73 0.16 2.17 -0.73 0.25 -0.75 115.58 117.74 1s20 h ASN 13 Ca 0.33 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.45 1s20 h ASN 13 Cb 0.47 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.86 1s20 h ASN 13 CO -0.38 0.57 -0.17 0.03 -0.37 0.00 0.00 177.43 177.12 1s20 h ARG 14 N 0.83 -0.35 -0.71 6.67 -0.00 0.11 -2.29 114.38 118.64 1s20 h ARG 14 Ca 0.22 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.71 1s20 h ARG 14 Cb -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 29.97 29.98 1s20 h ARG 14 CO -0.04 -0.23 0.38 0.28 0.00 0.00 0.00 179.97 180.35 1s20 h VAL 15 N -0.36 1.22 -0.87 2.04 2.07 -1.15 -2.45 116.25 116.76 1s20 h VAL 15 Ca 0.00 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1s20 h VAL 15 Cb 0.34 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1s20 h VAL 15 CO -0.04 0.25 0.57 -0.07 0.02 0.00 0.00 177.57 178.30 1s20 h LEU 16 N 0.98 0.98 -0.66 2.57 3.38 -1.00 -2.46 115.31 119.10 1s20 h LEU 16 Ca 0.25 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 1s20 h LEU 16 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1s20 h LEU 16 CO -0.04 0.70 -0.32 0.40 0.09 0.00 0.00 178.44 179.27 1s20 h ILE 17 N 1.15 1.28 0.00 1.22 2.04 -1.21 -2.49 117.51 119.50 1s20 h ILE 17 Ca 0.33 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1s20 h ILE 17 Cb -0.09 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1s20 h ILE 17 CO -0.08 0.47 0.00 -1.54 0.00 0.00 0.00 178.15 177.00 1s20 n SER 18 N -4.07 0.00 -0.70 1.72 3.41 -0.94 -2.20 113.62 110.84 1s20 n SER 18 Ca -0.01 0.13 0.06 0.00 -0.26 0.00 0.00 58.87 58.79 1s20 n SER 18 Cb 0.48 -0.31 0.17 0.00 -0.26 0.00 0.00 64.21 64.29 1s20 n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s20 n ARG 19 N -1.31 2.89 0.00 4.33 3.00 -0.97 -4.99 116.66 119.60 1s20 n ARG 19 Ca 0.07 -2.15 0.00 0.00 -0.01 0.00 0.00 57.85 55.76 1s20 n ARG 19 Cb 0.12 -1.33 0.00 0.00 0.00 0.00 0.00 32.46 31.25 1s20 n ARG 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s20 n GLY 20 N 0.48 2.58 3.64 -0.13 0.00 -0.93 -5.01 105.19 105.82 1s20 n GLY 20 Ca 0.13 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.68 1s20 n GLY 20 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s20 n VAL 21 N -0.41 0.69 -2.37 1.61 0.31 -0.99 -4.93 118.33 112.24 1s20 n VAL 21 Ca 0.00 -0.17 -0.33 0.00 -0.01 0.00 0.00 64.34 63.82 1s20 n VAL 21 Cb 0.00 -1.26 -0.02 0.00 -0.91 0.00 0.00 33.84 31.65 1s20 n VAL 21 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1s20 s ASP 22 N 0.33 6.20 0.29 4.52 -4.77 -1.26 -4.29 116.67 117.69 1s20 s ASP 22 Ca 0.73 1.85 -0.02 0.00 -3.30 0.00 0.00 52.55 51.81 1s20 s ASP 22 Cb -0.73 -2.55 0.64 0.00 -1.09 0.00 0.00 42.92 39.19 1s20 s ASP 22 CO 0.48 -0.88 1.53 -0.24 0.70 0.00 0.00 175.17 176.76 1s20 n SER 23 N -1.37 -0.20 0.44 2.11 2.88 -1.26 0.31 113.62 116.52 1s20 n SER 23 Ca 0.09 1.67 -0.17 0.00 -1.33 0.00 0.00 58.87 59.12 1s20 n SER 23 Cb 0.53 -0.57 -0.08 0.00 -0.75 0.00 0.00 64.21 63.34 1s20 n SER 23 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1s20 h GLU 24 N 0.00 -1.08 -0.07 -1.46 4.57 -2.00 -0.86 114.58 113.68 1s20 h GLU 24 Ca 0.55 0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.77 1s20 h GLU 24 Cb 1.03 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 1s20 h GLU 24 CO -0.95 -0.72 -0.09 1.15 -1.18 0.00 0.00 179.01 177.22 1s20 h THR 25 N -1.13 1.11 -0.21 0.32 2.02 -1.77 -2.21 112.91 111.04 1s20 h THR 25 Ca -0.11 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 1s20 h THR 25 Cb 0.86 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1s20 h THR 25 CO 0.18 0.14 0.04 0.00 0.37 0.00 0.00 175.52 176.25 1s20 h ALA 26 N 1.82 0.28 -0.59 6.16 0.00 0.02 -1.75 119.26 125.19 1s20 h ALA 26 Ca 0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1s20 h ALA 26 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1s20 h ALA 26 CO 0.01 -0.05 0.05 0.22 0.00 0.00 0.00 179.25 179.47 1s20 h ASP 27 N 0.14 0.98 -0.39 0.00 1.82 -0.78 -0.59 116.42 117.60 1s20 h ASP 27 Ca 0.06 -0.29 -0.04 0.00 -0.39 0.00 0.00 57.03 56.38 1s20 h ASP 27 Cb 0.31 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1s20 h ASP 27 CO 0.00 1.02 0.10 0.00 -1.61 0.00 0.00 179.24 178.75 1s20 h ALA 28 N 0.99 0.51 -0.15 -0.78 0.00 -1.38 0.72 119.26 119.18 1s20 h ALA 28 Ca 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1s20 h ALA 28 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1s20 h ALA 28 CO 0.02 0.18 0.01 0.00 0.00 0.00 0.00 179.25 179.47 1s20 h ALA 30 N 0.79 0.89 0.00 0.00 0.00 -1.01 -0.62 119.26 119.30 1s20 h ALA 30 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s20 h ALA 30 Cb 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1s20 h ALA 30 CO 0.01 0.03 0.00 -1.91 0.00 0.00 0.00 179.25 177.37 1s20 n GLU 31 N -4.80 0.00 0.00 0.00 4.07 0.24 -0.90 120.64 119.24 1s20 n GLU 31 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1s20 n GLU 31 Cb 0.18 -0.91 0.00 0.00 -0.06 0.00 0.00 31.44 30.65 1s20 n GLU 31 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1s20 n PHE 33 N 0.21 0.00 0.08 4.31 3.72 -0.24 -0.22 117.46 125.33 1s20 n PHE 33 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 1s20 n PHE 33 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 1s20 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s20 h ALA 34 N 0.00 0.15 -0.29 4.37 0.00 -1.28 -3.00 119.26 119.21 1s20 h ALA 34 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 1s20 h ALA 34 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1s20 h ALA 34 CO 0.00 0.79 0.09 -0.09 0.00 0.00 0.00 179.25 180.04 1s20 h ARG 35 N 0.23 0.45 -0.90 0.00 9.65 -0.83 -1.61 114.38 121.37 1s20 h ARG 35 Ca -0.14 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 1s20 h ARG 35 Cb 1.80 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 30.27 1s20 h ARG 35 CO 0.20 0.50 0.56 1.15 2.80 0.00 0.00 179.97 185.18 1s20 h THR 36 N 0.31 1.24 -0.55 0.20 2.02 -1.80 -1.57 112.91 112.76 1s20 h THR 36 Ca 0.09 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 1s20 h THR 36 Cb 0.23 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1s20 h THR 36 CO -0.00 0.25 0.12 0.74 0.37 0.00 0.00 175.52 176.99 1s20 h THR 37 N 1.23 1.25 0.00 3.16 2.02 -1.36 -2.48 112.91 116.72 1s20 h THR 37 Ca 0.32 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 1s20 h THR 37 Cb -0.08 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1s20 h THR 37 CO -0.06 0.33 -0.16 -0.08 0.37 0.00 0.00 175.52 175.92 1s20 h GLU 38 N 0.79 0.00 0.00 6.66 4.81 -0.84 -2.27 114.58 123.72 1s20 h GLU 38 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1s20 h GLU 38 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1s20 h GLU 38 CO 0.01 0.16 0.00 0.43 -0.73 0.00 0.00 179.01 178.87 1s20 n SER 39 N -3.63 0.00 0.00 1.04 7.64 -0.63 -3.96 113.62 114.08 1s20 n SER 39 Ca -0.01 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1s20 n SER 39 Cb 0.29 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1s20 n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s20 n GLY 40 N 1.01 0.64 3.40 0.23 0.00 -0.85 -4.09 105.19 105.54 1s20 n GLY 40 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1s20 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s20 s VAL 41 N -2.00 4.81 -0.13 1.61 1.01 -1.00 -4.83 120.40 119.87 1s20 s VAL 41 Ca 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 1s20 s VAL 41 Cb 0.00 -4.58 -0.24 0.00 0.00 0.00 0.00 36.38 31.55 1s20 s VAL 41 CO 0.00 -1.26 0.31 -1.22 0.00 0.00 0.00 175.10 172.94 1s20 n TYR 42 N 6.35 1.02 -0.25 5.22 4.02 -1.26 -3.13 117.16 129.12 1s20 n TYR 42 Ca 0.01 0.23 0.06 0.00 -0.01 0.00 0.00 57.90 58.20 1s20 n TYR 42 Cb 0.45 -1.14 0.19 0.00 -0.02 0.00 0.00 39.34 38.81 1s20 n TYR 42 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1s20 h SER 43 N 0.05 -0.02 -0.42 7.72 4.64 -1.97 -0.27 113.55 123.29 1s20 h SER 43 Ca -0.43 0.15 -0.13 0.00 -0.47 0.00 0.00 61.79 60.91 1s20 h SER 43 Cb 2.02 0.21 -0.08 0.00 -0.31 0.00 0.00 62.40 64.24 1s20 h SER 43 CO 0.06 -0.06 0.06 1.41 -0.87 0.00 0.00 176.83 177.43 1s20 n HIS 44 N -5.18 1.38 0.00 4.77 8.25 -1.26 -3.69 115.22 119.49 1s20 n HIS 44 Ca 0.14 -1.26 0.00 0.00 -0.26 0.00 0.00 57.72 56.35 1s20 n HIS 44 Cb 0.47 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1s20 n HIS 44 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s20 n GLY 45 N -0.72 1.43 0.29 -1.41 0.00 -0.14 -4.41 105.19 100.22 1s20 n GLY 45 Ca 0.31 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.36 1s20 n GLY 45 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s20 h VAL 46 N 0.00 1.15 -0.01 1.61 3.04 -1.75 -2.43 116.25 117.86 1s20 h VAL 46 Ca 0.00 -0.48 -0.06 0.00 -1.01 0.00 0.00 66.70 65.15 1s20 h VAL 46 Cb 0.00 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 1s20 h VAL 46 CO 0.00 0.18 -0.27 0.78 -1.01 0.00 0.00 177.57 177.25 1s20 h ASN 47 N 0.50 0.02 1.32 3.17 -0.26 -1.73 -2.90 115.58 115.70 1s20 h ASN 47 Ca 0.12 -0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.77 1s20 h ASN 47 Cb 0.13 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1s20 h ASN 47 CO -0.01 0.29 -0.71 -0.09 -1.06 0.00 0.00 177.43 175.85 1s20 h ARG 48 N 0.01 0.00 -0.80 0.81 9.65 -1.52 -3.38 114.38 119.15 1s20 h ARG 48 Ca 0.00 0.00 0.18 0.00 -1.10 0.00 0.00 59.98 59.06 1s20 h ARG 48 Cb 0.49 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 28.93 1s20 h ARG 48 CO 0.04 0.29 -0.05 0.35 2.80 0.00 0.00 179.97 183.39 1s20 h PHE 49 N 0.00 -0.17 0.14 2.20 3.04 -1.29 -0.17 116.94 120.70 1s20 h PHE 49 Ca -0.04 0.06 0.01 0.00 3.98 0.00 0.00 57.97 61.99 1s20 h PHE 49 Cb 1.31 0.20 -0.03 0.00 2.56 0.00 0.00 35.95 39.99 1s20 h PHE 49 CO 0.00 -0.30 -0.24 -1.35 -2.02 0.00 0.00 178.31 174.40 1s20 h PRO 50 N 0.06 -0.44 -0.73 6.41 0.11 -1.76 -0.03 132.00 135.63 1s20 h PRO 50 Ca 0.43 0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.67 1s20 h PRO 50 Cb 0.75 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 31.89 1s20 h PRO 50 CO -0.75 -0.29 0.36 -0.09 -0.21 0.00 0.00 178.00 177.02 1s20 h ARG 51 N -0.45 0.58 0.05 1.05 9.65 -1.62 -0.78 114.38 122.87 1s20 h ARG 51 Ca 0.02 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1s20 h ARG 51 Cb 0.47 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.87 1s20 h ARG 51 CO -0.12 0.39 -0.36 0.35 2.80 0.00 0.00 179.97 183.02 1s20 h PHE 52 N 0.60 -1.01 -0.85 2.20 3.57 -0.38 -1.38 116.94 119.68 1s20 h PHE 52 Ca 0.36 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.93 1s20 h PHE 52 Cb 0.40 0.44 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 1s20 h PHE 52 CO -0.11 -0.46 0.55 0.82 -2.23 0.00 0.00 178.31 176.88 1s20 h ILE 53 N -0.55 1.12 -0.29 1.41 1.08 -0.27 -1.26 117.51 118.74 1s20 h ILE 53 Ca 0.04 -0.36 0.05 0.00 -0.39 0.00 0.00 64.86 64.20 1s20 h ILE 53 Cb 0.61 -0.02 -0.04 0.00 -3.07 0.00 0.00 36.82 34.30 1s20 h ILE 53 CO -0.26 0.19 0.02 -0.61 -0.69 0.00 0.00 178.15 176.80 1s20 h GLN 54 N 1.05 0.10 -0.69 2.37 5.75 -0.58 0.15 115.11 123.27 1s20 h GLN 54 Ca 0.35 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.83 1s20 h GLN 54 Cb 0.04 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 1s20 h GLN 54 CO -0.13 0.07 0.36 1.96 -2.65 0.00 0.00 178.83 178.45 1s20 h GLN 55 N 0.11 0.95 -0.61 1.69 4.20 -0.63 -1.34 115.11 119.48 1s20 h GLN 55 Ca 0.14 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1s20 h GLN 55 Cb 0.17 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1s20 h GLN 55 CO -0.22 0.71 0.26 1.25 -0.67 0.00 0.00 178.83 180.16 1s20 h LEU 56 N 0.96 0.81 -0.79 1.46 5.85 -0.02 -1.30 115.31 122.26 1s20 h LEU 56 Ca 0.24 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1s20 h LEU 56 Cb 0.04 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1s20 h LEU 56 CO -0.04 0.71 -0.40 -0.33 -0.34 0.00 0.00 178.44 178.05 1s20 h GLU 57 N 0.87 0.00 -0.21 1.25 5.08 0.28 -2.89 114.58 118.97 1s20 h GLU 57 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1s20 h GLU 57 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1s20 h GLU 57 CO -0.02 0.40 0.00 0.09 -1.00 0.00 0.00 179.01 178.48 1s20 n ASN 58 N -3.48 1.21 0.00 1.42 3.02 -0.61 -4.88 115.26 111.94 1s20 n ASN 58 Ca 0.00 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 1s20 n ASN 58 Cb 0.55 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1s20 n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s20 n GLY 59 N 0.90 2.05 0.31 7.41 0.00 -1.09 -4.89 105.19 109.88 1s20 n GLY 59 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.17 1s20 n GLY 59 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s20 h ASP 60 N 0.00 0.59 -3.45 1.61 5.19 -1.47 -3.41 116.42 115.48 1s20 h ASP 60 Ca 0.00 0.08 -0.68 0.00 -0.62 0.00 0.00 57.03 55.81 1s20 h ASP 60 Cb 0.00 -0.02 -0.16 0.00 0.18 0.00 0.00 39.33 39.32 1s20 h ASP 60 CO 0.00 0.28 -0.65 -0.63 -3.12 0.00 0.00 179.24 175.12 1s20 s ILE 61 N -5.99 4.07 -0.52 0.35 1.01 -1.23 -4.84 121.20 114.06 1s20 s ILE 61 Ca -0.12 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.18 1s20 s ILE 61 Cb 0.21 -2.71 0.14 0.00 0.01 0.00 0.00 42.46 40.10 1s20 s ILE 61 CO 0.78 0.57 0.28 -0.63 0.00 0.00 0.00 174.94 175.94 1s20 s ILE 62 N -0.89 2.25 0.31 2.92 1.01 0.37 -4.81 121.20 122.35 1s20 s ILE 62 Ca 0.14 -3.20 0.07 0.00 0.00 0.00 0.00 60.65 57.65 1s20 s ILE 62 Cb -0.11 -2.55 0.30 0.00 0.01 0.00 0.00 42.46 40.11 1s20 s ILE 62 CO 0.03 -0.86 1.73 -0.65 0.00 0.00 0.00 174.94 175.19 1s20 h PRO 63 N 6.42 0.54 0.00 2.79 0.11 -1.93 -0.09 132.00 139.84 1s20 h PRO 63 Ca -0.03 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1s20 h PRO 63 Cb 0.89 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1s20 h PRO 63 CO 0.63 0.36 -0.18 -0.44 -0.21 0.00 0.00 178.00 178.16 1s20 h ASP 64 N 0.56 0.00 -4.05 -2.05 3.32 -1.94 -3.45 116.42 108.80 1s20 h ASP 64 Ca 0.60 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 57.10 1s20 h ASP 64 Cb 1.10 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.79 1s20 h ASP 64 CO -0.47 0.18 0.59 0.00 -1.72 0.00 0.00 179.24 177.82 1s20 s ALA 65 N -4.28 2.77 0.04 3.45 0.00 -0.05 -5.04 121.76 118.65 1s20 s ALA 65 Ca -0.03 1.31 0.05 0.00 0.00 0.00 0.00 51.96 53.28 1s20 s ALA 65 Cb 0.14 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1s20 s ALA 65 CO 0.64 -1.37 -0.14 -0.65 0.00 0.00 0.00 175.76 174.23 1s20 s GLN 66 N -2.96 0.93 0.24 0.00 -1.52 -1.26 -4.68 119.66 110.40 1s20 s GLN 66 Ca 0.73 -0.75 -0.31 0.00 -1.95 0.00 0.00 55.36 53.08 1s20 s GLN 66 Cb -0.40 -0.93 -0.13 0.00 -0.22 0.00 0.00 33.01 31.34 1s20 s GLN 66 CO 0.46 0.23 1.57 -2.30 -0.25 0.00 0.00 175.29 175.01 1s20 n PRO 67 N 1.92 2.45 -5.22 2.91 -0.02 -1.26 -4.62 135.00 131.16 1s20 n PRO 67 Ca -0.18 0.88 -0.32 0.00 -2.02 0.00 0.00 63.50 61.86 1s20 n PRO 67 Cb 0.55 -2.64 -0.17 0.00 -0.02 0.00 0.00 33.50 31.22 1s20 n PRO 67 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s20 s LYS 68 N 0.15 2.99 -0.01 -0.52 2.20 0.15 -4.92 119.74 119.79 1s20 s LYS 68 Ca 0.70 -0.88 -0.26 0.00 -0.36 0.00 0.00 55.97 55.17 1s20 s LYS 68 Cb -0.57 -2.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1s20 s LYS 68 CO 0.43 0.21 0.83 0.50 -0.36 0.00 0.00 175.35 176.96 1s20 s ARG 69 N 0.28 4.51 -0.03 4.03 3.52 -1.26 0.11 118.95 130.11 1s20 s ARG 69 Ca -0.17 1.14 -0.03 0.00 -0.13 0.00 0.00 55.73 56.55 1s20 s ARG 69 Cb -0.17 -3.43 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1s20 s ARG 69 CO 0.08 0.09 -0.05 -0.89 -0.81 0.00 0.00 175.30 173.72 1s20 n ILE 70 N 3.52 0.27 -4.30 4.11 2.08 0.31 -4.93 119.36 120.41 1s20 n ILE 70 Ca 0.01 0.44 -0.16 0.00 0.56 0.00 0.00 62.75 63.60 1s20 n ILE 70 Cb 0.51 -1.66 -0.10 0.00 -0.75 0.00 0.00 39.64 37.64 1s20 n ILE 70 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1s20 s THR 71 N -1.30 1.45 -0.03 1.39 -4.23 -1.17 -5.00 115.64 106.76 1s20 s THR 71 Ca -0.04 -2.14 -0.01 0.00 -1.18 0.00 0.00 61.69 58.32 1s20 s THR 71 Cb 0.01 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 71.92 1s20 s THR 71 CO 0.06 -0.67 0.05 -0.55 -0.54 0.00 0.00 174.62 172.97 1s20 s SER 72 N -3.24 0.65 0.00 3.99 0.15 -1.26 -1.47 113.70 112.52 1s20 s SER 72 Ca 0.20 0.06 0.11 0.00 0.70 0.00 0.00 55.95 57.02 1s20 s SER 72 Cb 0.01 -0.11 0.27 0.00 -1.71 0.00 0.00 66.02 64.48 1s20 s SER 72 CO 0.04 -0.19 1.18 0.18 1.20 0.00 0.00 173.24 175.64 1s20 n LEU 73 N 4.79 2.75 0.00 3.45 4.77 -0.41 -5.03 117.00 127.31 1s20 n LEU 73 Ca -0.15 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.03 1s20 n LEU 73 Cb 0.50 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1s20 n LEU 73 CO 0.13 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1s20 n GLY 74 N 0.55 1.93 0.15 -0.72 0.00 -1.26 -4.66 105.19 101.19 1s20 n GLY 74 Ca 0.11 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.47 1s20 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 n ALA 75 N -0.26 2.91 -3.46 4.61 0.00 -1.26 -4.80 120.51 118.24 1s20 n ALA 75 Ca 0.00 -0.31 -0.25 0.00 0.00 0.00 0.00 53.44 52.88 1s20 n ALA 75 Cb 0.00 -1.25 -0.17 0.00 0.00 0.00 0.00 19.45 18.03 1s20 n ALA 75 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1s20 s ILE 76 N -2.54 1.14 0.05 0.00 2.07 -1.26 -1.08 121.20 119.58 1s20 s ILE 76 Ca 0.25 -0.48 0.06 0.00 -1.41 0.00 0.00 60.65 59.07 1s20 s ILE 76 Cb 0.20 -1.04 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 1s20 s ILE 76 CO 0.51 0.36 -0.16 -1.61 -1.91 0.00 0.00 174.94 172.12 1s20 s GLU 77 N 0.67 1.01 -0.18 3.50 2.02 -0.53 -1.29 118.70 123.91 1s20 s GLU 77 Ca -0.14 -0.86 -0.05 0.00 0.02 0.00 0.00 54.97 53.94 1s20 s GLU 77 Cb -0.16 -1.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.98 1s20 s GLU 77 CO 0.04 0.26 -0.00 -1.14 0.02 0.00 0.00 175.26 174.43 1s20 s GLN 78 N -1.31 3.70 0.26 1.61 0.74 -0.54 -1.22 119.66 122.89 1s20 s GLN 78 Ca 0.03 -0.49 0.08 0.00 0.05 0.00 0.00 55.36 55.03 1s20 s GLN 78 Cb -0.09 -3.04 -0.05 0.00 1.10 0.00 0.00 33.01 30.93 1s20 s GLN 78 CO 0.02 0.14 -0.12 -1.58 -0.55 0.00 0.00 175.29 173.20 1s20 s TRP 79 N 0.65 1.97 -0.20 1.67 0.52 0.21 -0.53 118.94 123.22 1s20 s TRP 79 Ca -0.00 -0.56 0.01 0.00 0.02 0.00 0.00 56.10 55.57 1s20 s TRP 79 Cb -0.14 -0.99 0.03 0.00 -1.15 0.00 0.00 33.47 31.22 1s20 s TRP 79 CO 0.02 0.42 -0.16 0.34 0.02 0.00 0.00 176.95 177.60 1s20 s ASP 80 N -3.42 3.48 0.47 2.95 3.68 0.30 -1.52 116.67 122.62 1s20 s ASP 80 Ca 0.27 -0.87 0.31 0.00 2.13 0.00 0.00 52.55 54.39 1s20 s ASP 80 Cb 0.00 -1.44 1.28 0.00 -1.45 0.00 0.00 42.92 41.32 1s20 s ASP 80 CO 0.11 -0.08 1.92 0.00 0.13 0.00 0.00 175.17 177.25 1s20 h ALA 81 N 7.91 1.00 -5.28 3.66 0.00 -1.03 0.43 119.26 125.94 1s20 h ALA 81 Ca -0.35 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.18 1s20 h ALA 81 Cb 1.11 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1s20 h ALA 81 CO 0.56 0.00 -0.56 1.04 0.00 0.00 0.00 179.25 180.29 1s20 n GLN 82 N -2.85 -3.61 -1.86 0.00 6.02 -1.22 -1.12 117.38 112.74 1s20 n GLN 82 Ca 0.01 0.54 -0.14 0.00 -0.01 0.00 0.00 57.00 57.40 1s20 n GLN 82 Cb 0.28 -5.27 -0.03 0.00 1.02 0.00 0.00 30.24 26.24 1s20 n GLN 82 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s20 n ARG 83 N -3.76 -1.06 -1.55 -1.09 5.12 0.14 -4.76 116.66 109.70 1s20 n ARG 83 Ca -0.03 0.83 -0.29 0.00 -1.93 0.00 0.00 57.85 56.43 1s20 n ARG 83 Cb 0.55 -5.03 0.15 0.00 -1.16 0.00 0.00 32.46 26.98 1s20 n ARG 83 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1s20 s SER 84 N -2.59 3.16 0.18 0.55 1.04 -0.27 -0.48 113.70 115.28 1s20 s SER 84 Ca 0.00 0.81 -0.33 0.00 0.48 0.00 0.00 55.95 56.91 1s20 s SER 84 Cb 0.00 -1.26 -0.14 0.00 0.10 0.00 0.00 66.02 64.72 1s20 s SER 84 CO 0.00 -2.75 1.46 -0.38 0.98 0.00 0.00 173.24 172.54 1s20 n ILE 85 N -3.87 0.41 0.05 -1.02 5.41 -1.26 -4.03 119.36 115.05 1s20 n ILE 85 Ca 0.09 -0.10 -0.04 0.00 1.00 0.00 0.00 62.75 63.70 1s20 n ILE 85 Cb 0.59 -1.38 -0.02 0.00 -0.71 0.00 0.00 39.64 38.12 1s20 n ILE 85 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1s20 h GLY 86 N 4.94 -1.00 0.84 7.39 0.00 -1.75 -2.76 103.07 110.74 1s20 h GLY 86 Ca -0.45 0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.35 1s20 h GLY 86 CO 0.81 -0.35 0.24 3.45 0.00 0.00 0.00 176.54 180.70 1s20 h ASN 87 N -0.19 0.38 -0.06 0.19 -0.00 -1.73 -1.10 115.58 113.05 1s20 h ASN 87 Ca -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 56.30 56.31 1s20 h ASN 87 Cb 0.18 -0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 38.42 1s20 h ASN 87 CO -0.04 0.27 -0.00 -0.07 -0.00 0.00 0.00 177.43 177.59 1s20 h LEU 88 N 0.49 -0.03 -0.48 6.14 3.38 -1.94 -1.34 115.31 121.53 1s20 h LEU 88 Ca 0.18 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1s20 h LEU 88 Cb 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1s20 h LEU 88 CO -0.10 -0.01 0.20 0.74 0.09 0.00 0.00 178.44 179.36 1s20 h THR 89 N 0.02 1.20 -0.58 0.22 2.02 -1.40 -2.27 112.91 112.12 1s20 h THR 89 Ca 0.03 -0.62 0.07 0.00 0.77 0.00 0.00 66.41 66.66 1s20 h THR 89 Cb 0.04 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 1s20 h THR 89 CO -0.05 0.23 0.26 0.00 0.37 0.00 0.00 175.52 176.33 1s20 h ALA 90 N 1.05 0.75 -0.58 6.16 0.00 -0.98 -1.53 119.26 124.14 1s20 h ALA 90 Ca 0.16 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1s20 h ALA 90 Cb 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1s20 h ALA 90 CO -0.01 -0.12 0.37 -0.22 0.00 0.00 0.00 179.25 179.27 1s20 h LYS 91 N 0.48 0.72 -5.12 0.00 3.64 -1.00 -3.42 116.57 111.88 1s20 h LYS 91 Ca 0.28 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.31 1s20 h LYS 91 Cb 0.26 -0.16 0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1s20 h LYS 91 CO -0.23 0.48 0.94 1.63 -2.27 0.00 0.00 179.45 180.00 1s20 n LYS 92 N -4.71 0.84 0.00 1.90 5.02 -0.58 -4.63 118.16 116.00 1s20 n LYS 92 Ca 0.04 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.43 1s20 n LYS 92 Cb 0.05 -3.50 0.00 0.00 -0.02 0.00 0.00 35.03 31.55 1s20 n LYS 92 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1s20 n ASP 95 N 14.48 0.00 0.08 4.39 10.43 -1.26 -4.63 116.55 140.04 1s20 n ASP 95 Ca 0.45 0.00 -0.04 0.00 2.57 0.00 0.00 54.79 57.77 1s20 n ASP 95 Cb 0.45 0.00 0.16 0.00 1.84 0.00 0.00 41.12 43.57 1s20 n ASP 95 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 1s20 h ARG 96 N 0.00 0.25 -0.36 -1.24 9.65 -1.94 -2.36 114.38 118.39 1s20 h ARG 96 Ca 0.00 -0.15 -0.12 0.00 -1.10 0.00 0.00 59.98 58.61 1s20 h ARG 96 Cb 0.00 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1s20 h ARG 96 CO 0.00 0.72 -0.27 0.00 2.80 0.00 0.00 179.97 183.22 1s20 h ALA 97 N 1.25 0.86 -0.59 2.80 0.00 -1.90 -2.51 119.26 119.17 1s20 h ALA 97 Ca 0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1s20 h ALA 97 Cb 0.99 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1s20 h ALA 97 CO 0.08 0.63 0.12 0.82 0.00 0.00 0.00 179.25 180.90 1s20 h ILE 98 N 0.63 1.25 -0.45 0.00 2.04 -1.85 -0.39 117.51 118.74 1s20 h ILE 98 Ca 0.08 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 65.01 1s20 h ILE 98 Cb 0.78 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1s20 h ILE 98 CO 0.06 0.35 0.26 -0.33 0.00 0.00 0.00 178.15 178.50 1s20 h GLU 99 N 0.87 0.51 -0.27 2.37 5.08 -1.19 -0.15 114.58 121.80 1s20 h GLU 99 Ca 0.18 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1s20 h GLU 99 Cb 0.39 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1s20 h GLU 99 CO 0.01 0.34 0.05 -0.07 -1.00 0.00 0.00 179.01 178.34 1s20 h LEU 100 N 0.53 0.42 -0.85 1.33 3.38 -1.28 -2.95 115.31 115.88 1s20 h LEU 100 Ca 0.18 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1s20 h LEU 100 Cb 0.03 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1s20 h LEU 100 CO -0.09 0.56 0.55 0.00 0.09 0.00 0.00 178.44 179.55 1s20 h ALA 101 N 0.87 1.11 0.00 1.53 0.00 -0.78 0.50 119.26 122.50 1s20 h ALA 101 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1s20 h ALA 101 Cb 0.31 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1s20 h ALA 101 CO 0.00 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1s20 h ALA 102 N 1.35 1.00 0.00 0.00 0.00 -0.86 0.53 119.26 121.28 1s20 h ALA 102 Ca 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 1s20 h ALA 102 Cb -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1s20 h ALA 102 CO -0.11 0.00 -1.56 -0.25 0.00 0.00 0.00 179.25 177.33 1s20 n ASP 103 N -2.69 3.01 -0.50 0.00 10.43 -0.51 -4.69 116.55 121.59 1s20 n ASP 103 Ca -0.02 -0.01 0.05 0.00 2.57 0.00 0.00 54.79 57.39 1s20 n ASP 103 Cb 0.10 0.61 0.09 0.00 1.84 0.00 0.00 41.12 43.75 1s20 n ASP 103 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1s20 n HIS 104 N -2.36 0.20 0.00 1.24 8.25 0.16 -4.99 115.22 117.73 1s20 n HIS 104 Ca -0.14 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1s20 n HIS 104 Cb 0.76 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.86 1s20 n HIS 104 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s20 n GLY 105 N 0.53 1.90 2.87 -1.41 0.00 0.19 -4.88 105.19 104.39 1s20 n GLY 105 Ca 0.08 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1s20 n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s20 s ILE 106 N -0.28 -0.03 0.14 -0.61 2.07 -1.24 -0.56 121.20 120.69 1s20 s ILE 106 Ca 0.00 0.13 0.10 0.00 -1.41 0.00 0.00 60.65 59.47 1s20 s ILE 106 Cb 0.00 -0.13 -0.04 0.00 0.13 0.00 0.00 42.46 42.42 1s20 s ILE 106 CO 0.00 0.05 -0.24 -0.83 -1.91 0.00 0.00 174.94 172.01 1s20 s GLY 107 N 0.71 1.52 -0.07 1.50 0.00 0.77 -4.32 107.32 107.42 1s20 s GLY 107 Ca -0.06 -1.46 -0.04 0.00 0.00 0.00 0.00 44.72 43.17 1s20 s GLY 107 CO -0.03 -1.46 0.17 -2.27 0.00 0.00 0.00 173.10 169.51 1s20 s LEU 108 N -2.21 0.73 -0.16 0.66 0.20 -0.24 -1.03 118.68 116.65 1s20 s LEU 108 Ca 0.14 0.34 0.02 0.00 0.69 0.00 0.00 54.13 55.32 1s20 s LEU 108 Cb -0.09 0.45 0.01 0.00 -0.43 0.00 0.00 46.19 46.13 1s20 s LEU 108 CO 0.06 -0.14 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.09 1s20 s VAL 109 N 1.07 2.03 -0.26 1.68 1.01 0.97 -1.45 120.40 125.45 1s20 s VAL 109 Ca -0.08 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 1s20 s VAL 109 Cb -0.10 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1s20 s VAL 109 CO -0.06 0.54 0.09 0.00 0.00 0.00 0.00 175.10 175.67 1s20 s ALA 110 N 1.03 3.22 -0.12 5.51 0.00 -0.35 -1.08 121.76 129.96 1s20 s ALA 110 Ca -0.02 -1.14 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 1s20 s ALA 110 Cb -0.14 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 1s20 s ALA 110 CO -0.07 -0.53 -0.11 -1.17 0.00 0.00 0.00 175.76 173.89 1s20 s LEU 111 N 1.63 2.87 0.41 0.00 2.96 -0.13 0.64 118.68 127.07 1s20 s LEU 111 Ca 0.06 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.80 1s20 s LEU 111 Cb -0.15 -1.65 -0.06 0.00 0.50 0.00 0.00 46.19 44.83 1s20 s LEU 111 CO 0.05 0.21 0.14 0.00 -1.32 0.00 0.00 176.35 175.42 1s20 s ARG 112 N 0.11 2.17 -1.42 1.98 1.70 -0.58 -1.61 118.95 121.31 1s20 s ARG 112 Ca -0.05 -1.89 -0.13 0.00 -0.47 0.00 0.00 55.73 53.19 1s20 s ARG 112 Cb -0.14 -1.91 0.10 0.00 -0.57 0.00 0.00 34.95 32.43 1s20 s ARG 112 CO 0.04 -0.09 0.61 0.09 -1.08 0.00 0.00 175.30 174.87 1s20 n ASN 113 N -1.17 -3.55 -4.85 -2.89 3.02 -1.19 -0.59 115.26 104.04 1s20 n ASN 113 Ca -0.02 -0.61 -0.23 0.00 -0.03 0.00 0.00 54.58 53.69 1s20 n ASN 113 Cb 0.65 -2.92 0.07 0.00 -0.61 0.00 0.00 39.78 36.96 1s20 n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s20 s ALA 114 N -3.05 3.72 0.34 5.41 0.00 -0.31 0.27 121.76 128.14 1s20 s ALA 114 Ca 0.53 -1.43 0.10 0.00 0.00 0.00 0.00 51.96 51.16 1s20 s ALA 114 Cb -0.29 -2.12 -0.06 0.00 0.00 0.00 0.00 23.12 20.65 1s20 s ALA 114 CO 0.66 -1.10 -0.07 -0.80 0.00 0.00 0.00 175.76 174.45 1s20 s ASN 115 N -4.56 3.86 -0.10 0.00 0.01 -1.26 0.20 114.94 113.10 1s20 s ASN 115 Ca 0.61 -1.12 -0.40 0.00 -0.71 0.00 0.00 52.86 51.25 1s20 s ASN 115 Cb -0.08 -0.41 -0.18 0.00 0.41 0.00 0.00 41.25 40.99 1s20 s ASN 115 CO 0.41 -0.19 1.42 1.57 -1.51 0.00 0.00 177.10 178.80 1s20 n HIS 116 N -0.83 1.49 0.00 2.20 -0.00 -1.26 -4.29 115.22 112.53 1s20 n HIS 116 Ca -0.05 0.77 0.00 0.00 0.46 0.00 0.00 57.72 58.90 1s20 n HIS 116 Cb 0.63 -2.30 0.00 0.00 -0.12 0.00 0.00 29.99 28.20 1s20 n HIS 116 CO 0.00 0.00 0.00 -2.67 0.46 0.00 0.00 176.34 174.13 1s20 n TRP 117 N 3.21 0.00 -0.18 1.57 2.14 -1.26 -3.79 117.44 119.12 1s20 n TRP 117 Ca 0.22 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.71 1s20 n TRP 117 Cb 0.12 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.60 1s20 n TRP 117 CO 0.00 0.00 0.00 -2.13 2.07 0.00 0.00 177.69 177.63 1s20 n ARG 119 N 0.00 0.00 0.25 -2.67 0.00 -1.26 -4.22 116.66 108.76 1s20 n ARG 119 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 57.95 1s20 n ARG 119 Cb 0.00 -0.21 0.64 0.00 0.00 0.00 0.00 32.46 32.89 1s20 n ARG 119 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1s20 h GLY 120 N 1.32 0.00 1.75 5.14 0.00 -1.99 -2.77 103.07 106.52 1s20 h GLY 120 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1s20 h GLY 120 CO 0.16 0.00 0.12 -1.33 0.00 0.00 0.00 176.54 175.49 1s20 h GLY 121 N 0.75 0.35 0.09 4.60 0.00 -1.96 -2.95 103.07 103.96 1s20 h GLY 121 Ca -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.23 1s20 h GLY 121 CO 0.02 0.14 -0.39 1.76 0.00 0.00 0.00 176.54 178.07 1s20 h SER 122 N 0.33 -1.20 -0.06 0.19 0.02 -1.90 0.41 113.55 111.35 1s20 h SER 122 Ca 0.09 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1s20 h SER 122 Cb 0.03 0.49 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1s20 h SER 122 CO -0.01 -0.41 -0.01 1.88 -1.14 0.00 0.00 176.83 177.14 1s20 h TYR 123 N -0.48 0.19 0.03 3.45 0.05 -1.70 0.29 116.97 118.80 1s20 h TYR 123 Ca 0.08 -0.01 -0.24 0.00 0.05 0.00 0.00 58.73 58.61 1s20 h TYR 123 Cb 0.61 -0.06 0.01 0.00 1.01 0.00 0.00 36.73 38.29 1s20 h TYR 123 CO -0.44 0.21 -1.03 0.78 -1.05 0.00 0.00 178.16 176.63 1s20 h GLY 124 N 0.43 0.48 0.81 3.88 0.00 -1.31 -2.92 103.07 104.44 1s20 h GLY 124 Ca 0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 47.33 46.43 1s20 h GLY 124 CO 0.00 0.80 -0.04 -0.25 0.00 0.00 0.00 176.54 177.05 1s20 h TRP 125 N 0.22 0.43 -0.20 5.60 2.91 0.85 -1.19 115.95 124.57 1s20 h TRP 125 Ca -0.10 -0.09 0.04 0.00 1.13 0.00 0.00 58.89 59.87 1s20 h TRP 125 Cb 1.68 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 30.22 1s20 h TRP 125 CO 0.07 0.62 0.14 -0.56 -1.03 0.00 0.00 178.44 177.67 1s20 h GLN 126 N 0.11 0.11 -0.07 2.65 3.07 -0.52 0.35 115.11 120.80 1s20 h GLN 126 Ca 0.05 -0.01 -0.07 0.00 0.09 0.00 0.00 58.65 58.71 1s20 h GLN 126 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.01 1s20 h GLN 126 CO 0.02 0.07 -0.24 0.00 0.09 0.00 0.00 178.83 178.77 1s20 h ALA 127 N 1.89 0.12 -0.55 0.06 0.00 -1.26 -3.15 119.26 116.37 1s20 h ALA 127 Ca 0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1s20 h ALA 127 Cb 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1s20 h ALA 127 CO -0.01 0.11 0.15 0.00 0.00 0.00 0.00 179.25 179.50 1s20 h ALA 128 N 0.44 1.23 0.00 0.00 0.00 -0.12 -1.80 119.26 119.01 1s20 h ALA 128 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1s20 h ALA 128 Cb 0.87 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1s20 h ALA 128 CO 0.05 0.53 -0.01 0.93 0.00 0.00 0.00 179.25 180.76 1s20 h GLU 129 N 0.80 0.00 -0.54 0.00 5.08 -0.37 -1.14 114.58 118.42 1s20 h GLU 129 Ca 0.18 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 1s20 h GLU 129 Cb 0.27 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 1s20 h GLU 129 CO -0.00 0.01 0.12 1.63 -1.00 0.00 0.00 179.01 179.77 1s20 n LYS 130 N -3.26 3.36 -0.98 2.33 5.02 -0.74 -4.94 118.16 118.94 1s20 n LYS 130 Ca -0.03 -3.05 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 1s20 n LYS 130 Cb 0.11 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1s20 n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s20 n GLY 131 N -0.32 0.50 3.84 0.72 0.00 -0.43 -5.03 105.19 104.47 1s20 n GLY 131 Ca 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.14 1s20 n GLY 131 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s20 s TYR 132 N -2.18 3.05 -0.11 1.61 1.51 -0.80 -4.13 117.35 116.29 1s20 s TYR 132 Ca 0.00 -0.18 -0.24 0.00 -1.01 0.00 0.00 57.07 55.64 1s20 s TYR 132 Cb 0.00 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1s20 s TYR 132 CO 0.00 0.39 0.76 0.42 -1.11 0.00 0.00 175.55 176.01 1s20 s ILE 133 N -2.19 4.97 -0.22 2.71 1.01 -0.21 -3.01 121.20 124.27 1s20 s ILE 133 Ca 0.36 1.53 -0.07 0.00 0.00 0.00 0.00 60.65 62.47 1s20 s ILE 133 Cb -0.07 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1s20 s ILE 133 CO 0.26 0.15 0.06 -0.83 0.00 0.00 0.00 174.94 174.58 1s20 s GLY 134 N 0.98 1.79 -0.06 6.18 0.00 0.38 -2.00 107.32 114.59 1s20 s GLY 134 Ca 0.38 -1.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 1s20 s GLY 134 CO 0.16 0.34 -0.01 -0.42 0.00 0.00 0.00 173.10 173.17 1s20 s ILE 135 N 1.16 0.42 0.12 0.90 1.01 -0.36 0.77 121.20 125.21 1s20 s ILE 135 Ca 0.04 0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.53 1s20 s ILE 135 Cb -0.14 -0.53 0.06 0.00 0.01 0.00 0.00 42.46 41.85 1s20 s ILE 135 CO 0.03 0.24 0.52 0.00 0.00 0.00 0.00 174.94 175.74 1s20 s TRP 137 N -3.40 -0.44 0.20 0.00 -2.14 -0.80 -0.29 118.94 112.07 1s20 s TRP 137 Ca -0.00 0.17 0.01 0.00 2.66 0.00 0.00 56.10 58.94 1s20 s TRP 137 Cb 0.00 0.60 -0.05 0.00 -3.10 0.00 0.00 33.47 30.92 1s20 s TRP 137 CO -0.09 -0.93 0.06 -0.08 -2.66 0.00 0.00 176.95 173.25 1s20 s THR 138 N -3.74 0.49 0.42 0.66 -1.32 -1.20 -0.97 115.64 109.98 1s20 s THR 138 Ca 0.04 -1.98 0.07 0.00 -1.21 0.00 0.00 61.69 58.61 1s20 s THR 138 Cb -0.02 -2.34 -0.05 0.00 -1.51 0.00 0.00 72.50 68.58 1s20 s THR 138 CO -0.08 -0.25 0.19 0.54 -2.21 0.00 0.00 174.62 172.81 1s20 s ASN 139 N -3.21 4.44 0.00 8.08 4.22 -0.39 -3.88 114.94 124.20 1s20 s ASN 139 Ca 0.31 -1.08 0.00 0.00 -2.14 0.00 0.00 52.86 49.94 1s20 s ASN 139 Cb 0.07 -0.45 0.00 0.00 1.28 0.00 0.00 41.25 42.15 1s20 s ASN 139 CO 0.08 -0.57 0.00 -1.54 -2.04 0.00 0.00 177.10 173.03 1s20 n SER 140 N -1.26 0.00 -4.91 3.54 3.41 -1.26 -4.57 113.62 108.58 1s20 n SER 140 Ca -0.01 -0.15 -0.28 0.00 -0.26 0.00 0.00 58.87 58.17 1s20 n SER 140 Cb 0.65 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.62 1s20 n SER 140 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1s20 s ILE 141 N -1.89 3.97 -0.41 -1.33 -4.36 -1.26 -4.37 121.20 111.55 1s20 s ILE 141 Ca 0.00 0.20 -0.28 0.00 -0.26 0.00 0.00 60.65 60.31 1s20 s ILE 141 Cb 0.00 -3.58 -0.00 0.00 1.25 0.00 0.00 42.46 40.13 1s20 s ILE 141 CO 0.00 -0.63 1.58 0.00 0.24 0.00 0.00 174.94 176.12 1s20 s ALA 142 N -3.02 2.90 -0.29 2.27 0.00 -1.26 -4.25 121.76 118.11 1s20 s ALA 142 Ca 0.53 -0.10 0.15 0.00 0.00 0.00 0.00 51.96 52.55 1s20 s ALA 142 Cb -0.11 -4.01 0.48 0.00 0.00 0.00 0.00 23.12 19.49 1s20 s ALA 142 CO 0.47 -2.63 1.13 1.33 0.00 0.00 0.00 175.76 176.06 1s20 n VAL 143 N 7.19 1.85 -5.20 0.00 0.24 -1.08 -4.78 118.33 116.54 1s20 n VAL 143 Ca 0.19 -3.60 -0.30 0.00 -2.04 0.00 0.00 64.34 58.58 1s20 n VAL 143 Cb 0.48 0.08 -0.16 0.00 -1.47 0.00 0.00 33.84 32.77 1s20 n VAL 143 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1s20 s PRO 145 N -3.66 2.19 0.75 7.34 0.04 -1.26 -4.71 135.00 135.69 1s20 s PRO 145 Ca 0.38 -0.86 -0.13 0.00 0.04 0.00 0.00 61.00 60.43 1s20 s PRO 145 Cb 0.37 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.98 1s20 s PRO 145 CO -0.01 0.44 1.13 -1.25 0.04 0.00 0.00 177.00 177.35 1s20 s PRO 146 N -0.35 2.23 0.05 0.56 0.04 -1.26 -4.85 135.00 131.43 1s20 s PRO 146 Ca 0.03 1.42 -0.33 0.00 0.04 0.00 0.00 61.00 62.16 1s20 s PRO 146 Cb -0.11 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 1s20 s PRO 146 CO 0.01 -1.70 1.81 1.87 0.04 0.00 0.00 177.00 179.03 1s20 n TRP 147 N -3.10 2.43 0.00 0.56 -0.00 -1.26 -0.99 117.44 115.09 1s20 n TRP 147 Ca 0.11 -0.03 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 1s20 n TRP 147 Cb 0.52 -2.67 0.00 0.00 -0.00 0.00 0.00 31.31 29.16 1s20 n TRP 147 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1s20 n GLY 148 N 4.13 0.39 3.73 5.87 0.00 -1.26 -5.07 105.19 112.98 1s20 n GLY 148 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1s20 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 s ALA 149 N -2.00 3.83 0.00 4.61 0.00 -0.16 -5.04 121.76 123.00 1s20 s ALA 149 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1s20 s ALA 149 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1s20 s ALA 149 CO 0.00 -0.07 0.33 0.36 0.00 0.00 0.00 175.76 176.38 1s20 n LYS 150 N -1.20 0.02 -4.82 0.00 2.85 -1.26 -4.76 118.16 108.99 1s20 n LYS 150 Ca -0.14 -0.39 -0.33 0.00 -1.05 0.00 0.00 58.31 56.41 1s20 n LYS 150 Cb 0.67 -0.70 -0.13 0.00 -0.65 0.00 0.00 35.03 34.21 1s20 n LYS 150 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1s20 s GLU 151 N -0.11 2.81 -0.11 -1.58 2.12 -1.26 -4.85 118.70 115.73 1s20 s GLU 151 Ca 0.00 -0.67 -0.29 0.00 0.36 0.00 0.00 54.97 54.36 1s20 s GLU 151 Cb 0.00 -2.49 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 1s20 s GLU 151 CO 0.00 0.50 1.61 0.00 -0.54 0.00 0.00 175.26 176.83 1s20 n ARG 153 N 7.21 1.35 -4.43 0.00 5.12 -1.26 -4.78 116.66 119.88 1s20 n ARG 153 Ca 0.17 -0.01 -0.23 0.00 -1.93 0.00 0.00 57.85 55.86 1s20 n ARG 153 Cb 0.44 -0.17 -0.10 0.00 -1.16 0.00 0.00 32.46 31.47 1s20 n ARG 153 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1s20 s ILE 154 N -0.20 2.24 0.49 0.55 -4.36 -1.26 -4.74 121.20 113.92 1s20 s ILE 154 Ca 0.00 -2.31 0.05 0.00 -0.26 0.00 0.00 60.65 58.13 1s20 s ILE 154 Cb 0.00 -2.20 0.03 0.00 1.25 0.00 0.00 42.46 41.54 1s20 s ILE 154 CO 0.00 -0.43 0.68 -0.83 0.24 0.00 0.00 174.94 174.60 1s20 s GLY 155 N -3.36 1.88 0.39 6.27 0.00 -1.26 -2.64 107.32 108.60 1s20 s GLY 155 Ca 0.27 -1.56 0.27 0.00 0.00 0.00 0.00 44.72 43.69 1s20 s GLY 155 CO 0.12 -1.31 1.76 -0.91 0.00 0.00 0.00 173.10 172.76 1s20 h THR 156 N 0.35 0.00 -1.44 0.90 1.35 -1.92 -3.46 112.91 108.70 1s20 h THR 156 Ca -0.40 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1s20 h THR 156 Cb 1.29 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1s20 h THR 156 CO 0.47 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 176.33 1s20 n ASN 157 N -2.79 0.00 -4.75 5.36 3.02 -1.26 -4.35 115.26 110.49 1s20 n ASN 157 Ca 0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.17 1s20 n ASN 157 Cb 0.41 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 1s20 n ASN 157 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1s20 s PRO 158 N 0.00 4.25 -0.19 3.52 0.02 -1.25 -4.80 135.00 136.55 1s20 s PRO 158 Ca 0.00 2.33 -0.03 0.00 0.02 0.00 0.00 61.00 63.32 1s20 s PRO 158 Cb 0.00 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.41 1s20 s PRO 158 CO 0.00 -0.43 -0.05 -1.17 -0.33 0.00 0.00 177.00 175.02 1s20 s LEU 159 N -0.52 3.01 -0.08 -5.54 2.96 -1.26 -3.25 118.68 113.99 1s20 s LEU 159 Ca 0.59 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1s20 s LEU 159 Cb -0.42 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1s20 s LEU 159 CO 0.45 0.07 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.77 1s20 s ILE 160 N 0.93 2.88 -0.14 6.68 1.09 0.60 -4.32 121.20 128.93 1s20 s ILE 160 Ca -0.00 -0.76 -0.04 0.00 -1.10 0.00 0.00 60.65 58.75 1s20 s ILE 160 Cb -0.15 -2.15 0.05 0.00 -1.06 0.00 0.00 42.46 39.15 1s20 s ILE 160 CO 0.01 0.56 0.08 -0.69 -0.10 0.00 0.00 174.94 174.80 1s20 s VAL 161 N -0.18 -0.05 -0.09 2.92 1.01 -0.71 -1.64 120.40 121.66 1s20 s VAL 161 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1s20 s VAL 161 Cb -0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1s20 s VAL 161 CO 0.03 -0.15 -0.19 0.00 0.00 0.00 0.00 175.10 174.80 1s20 s ALA 162 N 2.13 2.42 -0.14 5.51 0.00 0.23 -1.08 121.76 130.82 1s20 s ALA 162 Ca 0.03 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 1s20 s ALA 162 Cb -0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 1s20 s ALA 162 CO -0.07 0.35 -0.01 0.42 0.00 0.00 0.00 175.76 176.45 1s20 s ILE 163 N 0.05 4.16 -0.01 0.00 -1.09 0.11 -0.47 121.20 123.96 1s20 s ILE 163 Ca -0.07 -0.27 -0.04 0.00 -2.23 0.00 0.00 60.65 58.04 1s20 s ILE 163 Cb -0.15 -2.82 -0.17 0.00 -1.58 0.00 0.00 42.46 37.74 1s20 s ILE 163 CO 0.05 0.51 2.50 -0.81 -1.23 0.00 0.00 174.94 175.96 1s20 n PRO 164 N 3.22 1.28 -2.62 2.79 -0.04 -1.26 -2.82 135.00 135.56 1s20 n PRO 164 Ca -0.17 -0.64 -0.21 0.00 -0.04 0.00 0.00 63.50 62.43 1s20 n PRO 164 Cb 0.53 -1.82 0.04 0.00 -0.04 0.00 0.00 33.50 32.21 1s20 n PRO 164 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s20 s SER 165 N 2.37 5.19 -0.30 3.54 1.04 -1.26 -4.93 113.70 119.34 1s20 s SER 165 Ca 0.43 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.85 1s20 s SER 165 Cb 0.20 -0.80 0.07 0.00 0.10 0.00 0.00 66.02 65.59 1s20 s SER 165 CO -0.00 -1.22 -0.03 -0.89 0.98 0.00 0.00 173.24 172.09 1s20 s THR 166 N -2.81 2.38 0.82 2.02 2.01 -1.26 -1.03 115.64 117.77 1s20 s THR 166 Ca 0.58 -1.86 -0.12 0.00 0.31 0.00 0.00 61.69 60.60 1s20 s THR 166 Cb -0.10 -2.53 0.09 0.00 0.01 0.00 0.00 72.50 69.97 1s20 s THR 166 CO 0.39 -0.26 1.14 -2.16 -0.69 0.00 0.00 174.62 173.04 1s20 s PRO 167 N 1.06 1.86 0.17 4.92 0.04 -1.26 -5.02 135.00 136.77 1s20 s PRO 167 Ca -0.01 0.30 -0.32 0.00 0.04 0.00 0.00 61.00 61.01 1s20 s PRO 167 Cb -0.20 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 1s20 s PRO 167 CO -0.05 -1.70 1.73 0.42 0.04 0.00 0.00 177.00 177.44 1s20 s ILE 168 N -3.39 2.30 0.16 0.56 1.01 -0.20 -5.02 121.20 116.63 1s20 s ILE 168 Ca 0.62 0.10 0.04 0.00 0.00 0.00 0.00 60.65 61.41 1s20 s ILE 168 Cb -0.13 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1s20 s ILE 168 CO 0.52 0.01 0.19 -0.89 0.00 0.00 0.00 174.94 174.76 1s20 s THR 169 N 1.73 4.78 -0.13 2.92 2.01 -1.13 -4.45 115.64 121.37 1s20 s THR 169 Ca 0.76 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 1s20 s THR 169 Cb -0.47 -3.44 0.05 0.00 0.01 0.00 0.00 72.50 68.64 1s20 s THR 169 CO 0.33 -0.10 0.29 0.68 -0.69 0.00 0.00 174.62 175.14 1s20 s VAL 171 N -1.74 -0.07 -0.03 3.82 -7.23 -0.24 0.07 120.40 114.98 1s20 s VAL 171 Ca 0.32 0.14 0.03 0.00 -1.81 0.00 0.00 61.98 60.66 1s20 s VAL 171 Cb -0.10 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.39 1s20 s VAL 171 CO 0.25 0.06 -0.11 -0.62 -0.31 0.00 0.00 175.10 174.37 1s20 s ASP 172 N 1.38 1.43 0.00 4.85 -1.08 -1.26 -1.73 116.67 120.26 1s20 s ASP 172 Ca -0.09 -0.22 0.00 0.00 -0.52 0.00 0.00 52.55 51.72 1s20 s ASP 172 Cb -0.10 -0.40 0.00 0.00 -1.46 0.00 0.00 42.92 40.96 1s20 s ASP 172 CO -0.10 0.08 0.00 -0.24 0.52 0.00 0.00 175.17 175.43 1s20 n SER 174 N 3.29 0.00 0.00 -0.34 2.88 -1.26 -5.00 113.62 113.19 1s20 n SER 174 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1s20 n SER 174 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1s20 n SER 174 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1s20 n SER 176 N 0.00 0.00 -3.26 -3.46 3.41 -1.26 -4.95 113.62 104.10 1s20 n SER 176 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1s20 n SER 176 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1s20 n SER 176 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1s20 n PHE 178 N 0.00 -3.84 -4.06 7.33 3.01 -1.26 -4.98 117.46 113.66 1s20 n PHE 178 Ca 0.00 0.05 -0.31 0.00 1.01 0.00 0.00 57.45 58.20 1s20 n PHE 178 Cb 0.00 -1.16 -0.07 0.00 -0.01 0.00 0.00 39.48 38.24 1s20 n PHE 178 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1s20 s SER 179 N -0.82 5.53 0.50 4.37 1.04 -1.26 -4.92 113.70 118.15 1s20 s SER 179 Ca 0.32 0.01 0.19 0.00 0.48 0.00 0.00 55.95 56.95 1s20 s SER 179 Cb -0.11 -1.50 1.26 0.00 0.10 0.00 0.00 66.02 65.77 1s20 s SER 179 CO 0.66 0.19 2.04 1.88 0.98 0.00 0.00 173.24 178.99 1s20 h TYR 180 N 3.41 0.11 0.00 5.02 -1.99 -2.00 -1.90 116.97 119.62 1s20 h TYR 180 Ca -0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1s20 h TYR 180 Cb 1.17 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.86 1s20 h TYR 180 CO 0.61 0.05 0.00 0.41 -0.00 0.00 0.00 178.16 179.23 1s20 n GLY 181 N -1.58 0.00 1.65 3.88 0.00 -1.26 -1.43 105.19 106.45 1s20 n GLY 181 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1s20 n GLY 181 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s20 n LEU 183 N 0.61 0.00 -0.11 0.99 4.77 -0.72 -2.76 117.00 119.78 1s20 n LEU 183 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1s20 n LEU 183 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1s20 n LEU 183 CO 0.00 0.00 0.59 -0.08 -1.33 0.00 0.00 177.39 176.57 1s20 h GLU 184 N 0.00 0.80 -0.63 3.23 4.81 -1.54 -0.62 114.58 120.64 1s20 h GLU 184 Ca 0.00 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1s20 h GLU 184 Cb 0.00 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1s20 h GLU 184 CO 0.00 1.03 0.39 0.28 -0.73 0.00 0.00 179.01 179.99 1s20 h VAL 185 N 0.58 1.18 -0.39 0.32 2.07 -1.79 0.11 116.25 118.34 1s20 h VAL 185 Ca 0.06 -0.37 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 1s20 h VAL 185 Cb 0.86 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1s20 h VAL 185 CO 0.07 0.18 -0.28 0.78 0.02 0.00 0.00 177.57 178.34 1s20 h ASN 186 N 0.85 0.92 -0.39 0.57 2.35 -1.82 -2.85 115.58 115.22 1s20 h ASN 186 Ca 0.23 -0.44 -0.11 0.00 -0.55 0.00 0.00 56.30 55.43 1s20 h ASN 186 Cb -0.05 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 1s20 h ASN 186 CO -0.04 1.16 -0.19 -0.09 -1.65 0.00 0.00 177.43 176.62 1s20 h ARG 187 N 0.69 0.82 -0.75 0.81 1.12 -0.83 0.38 114.38 116.61 1s20 h ARG 187 Ca 0.07 -0.36 0.05 0.00 -1.11 0.00 0.00 59.98 58.63 1s20 h ARG 187 Cb 0.86 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 30.75 1s20 h ARG 187 CO 0.08 0.99 0.49 -0.07 -3.11 0.00 0.00 179.97 178.35 1s20 h LEU 188 N 0.62 0.75 -0.47 3.80 4.07 -0.79 -0.05 115.31 123.23 1s20 h LEU 188 Ca 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1s20 h LEU 188 Cb 0.74 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1s20 h LEU 188 CO 0.06 0.50 -0.30 0.00 -1.08 0.00 0.00 178.44 177.62 1s20 n ALA 189 N -2.43 3.17 -1.66 1.53 0.00 -1.08 -4.94 120.51 115.10 1s20 n ALA 189 Ca 0.10 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 1s20 n ALA 189 Cb 0.16 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 1s20 n ALA 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s20 n GLY 190 N 1.36 0.80 3.78 0.00 0.00 0.47 -5.00 105.19 106.60 1s20 n GLY 190 Ca 0.11 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1s20 n GLY 190 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s20 s ARG 191 N -3.58 4.01 0.38 1.61 3.52 0.10 -4.98 118.95 120.02 1s20 s ARG 191 Ca 0.00 0.02 -0.25 0.00 -0.13 0.00 0.00 55.73 55.37 1s20 s ARG 191 Cb 0.00 -3.34 -0.09 0.00 -1.56 0.00 0.00 34.95 29.96 1s20 s ARG 191 CO 0.00 0.43 1.05 -0.65 -0.81 0.00 0.00 175.30 175.32 1s20 s GLN 192 N -0.10 4.26 0.61 5.12 -1.52 -1.26 -4.36 119.66 122.40 1s20 s GLN 192 Ca 0.15 1.53 -0.19 0.00 -1.95 0.00 0.00 55.36 54.90 1s20 s GLN 192 Cb -0.13 -2.64 -0.03 0.00 -0.22 0.00 0.00 33.01 29.99 1s20 s GLN 192 CO 0.04 -0.06 1.31 -0.51 -0.25 0.00 0.00 175.29 175.82 1s20 s LEU 193 N -2.44 3.68 0.42 2.90 2.01 -0.04 -4.90 118.68 120.30 1s20 s LEU 193 Ca 0.55 2.66 0.09 0.00 0.01 0.00 0.00 54.13 57.45 1s20 s LEU 193 Cb -0.23 -4.49 0.89 0.00 0.01 0.00 0.00 46.19 42.37 1s20 s LEU 193 CO 0.29 -1.82 2.02 1.55 1.01 0.00 0.00 176.35 179.40 1s20 h PRO 194 N 0.91 0.37 -4.51 1.29 0.13 -1.95 -3.44 132.00 124.80 1s20 h PRO 194 Ca -0.51 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.38 1s20 h PRO 194 Cb 1.32 -0.07 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 1s20 h PRO 194 CO 0.55 0.32 -0.67 0.14 -0.23 0.00 0.00 178.00 178.11 1s20 s VAL 195 N -5.18 0.38 -0.04 1.56 -7.23 -1.26 -5.11 120.40 103.53 1s20 s VAL 195 Ca -0.07 -1.91 -0.37 0.00 -1.81 0.00 0.00 61.98 57.82 1s20 s VAL 195 Cb 0.17 -1.86 -0.16 0.00 0.56 0.00 0.00 36.38 35.10 1s20 s VAL 195 CO 0.72 -0.69 1.55 0.47 -0.31 0.00 0.00 175.10 176.84 1s20 n ASP 196 N -0.07 2.21 0.00 4.85 9.92 -1.26 -4.81 116.55 127.40 1s20 n ASP 196 Ca -0.09 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.26 1s20 n ASP 196 Cb 0.62 -1.22 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 1s20 n ASP 196 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s20 n GLY 197 N 3.33 0.32 0.00 0.44 0.00 -0.90 -4.91 105.19 103.47 1s20 n GLY 197 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1s20 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s20 n GLY 198 N -0.19 -1.21 3.53 -0.02 0.00 -1.19 0.20 105.19 106.30 1s20 n GLY 198 Ca 0.00 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 1s20 n GLY 198 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s20 s PHE 199 N -2.68 2.42 0.49 1.61 0.08 -0.86 -0.84 117.98 118.19 1s20 s PHE 199 Ca 0.00 -0.31 0.06 0.00 0.12 0.00 0.00 56.93 56.80 1s20 s PHE 199 Cb 0.00 -1.08 0.08 0.00 -0.57 0.00 0.00 43.02 41.45 1s20 s PHE 199 CO 0.00 0.68 0.67 -0.40 -0.10 0.00 0.00 175.22 176.07 1s20 n ASP 200 N -0.72 1.59 0.19 1.36 3.85 -0.73 -4.40 116.55 117.69 1s20 n ASP 200 Ca -0.05 -2.18 0.14 0.00 -0.71 0.00 0.00 54.79 51.99 1s20 n ASP 200 Cb 0.60 -0.37 0.74 0.00 -1.35 0.00 0.00 41.12 40.74 1s20 n ASP 200 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1s20 h ASP 201 N -0.02 0.00 0.24 -1.12 3.45 -1.91 -2.44 116.42 114.61 1s20 h ASP 201 Ca -0.23 0.00 -0.34 0.00 0.43 0.00 0.00 57.03 56.89 1s20 h ASP 201 Cb 1.00 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.80 1s20 h ASP 201 CO 0.31 0.00 -1.59 -0.33 -1.57 0.00 0.00 179.24 176.05 1s20 h GLU 202 N 0.00 0.49 0.00 3.56 5.08 -2.03 -3.48 114.58 118.19 1s20 h GLU 202 Ca 0.08 -0.83 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 1s20 h GLU 202 Cb 0.37 0.31 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1s20 h GLU 202 CO -0.00 1.40 0.00 0.41 -1.00 0.00 0.00 179.01 179.82 1s20 n GLY 203 N 1.77 1.70 3.50 -3.84 0.00 -0.92 -5.14 105.19 102.26 1s20 n GLY 203 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1s20 n GLY 203 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s20 s ASN 204 N -1.70 4.10 0.33 1.61 0.01 -1.26 -4.85 114.94 113.18 1s20 s ASN 204 Ca 0.00 -0.23 -0.29 0.00 -0.71 0.00 0.00 52.86 51.63 1s20 s ASN 204 Cb 0.00 -0.85 -0.12 0.00 0.41 0.00 0.00 41.25 40.70 1s20 s ASN 204 CO 0.00 0.32 1.48 0.18 -1.51 0.00 0.00 177.10 177.57 1s20 n LEU 205 N 2.01 4.27 -4.00 0.60 4.77 -1.26 -1.78 117.00 121.61 1s20 n LEU 205 Ca -0.17 1.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.92 1s20 n LEU 205 Cb 0.52 -1.57 -0.08 0.00 -2.33 0.00 0.00 43.42 39.96 1s20 n LEU 205 CO 0.27 -0.02 -0.17 0.28 -1.33 0.00 0.00 177.39 176.42 1s20 s THR 206 N -0.65 0.13 -1.11 -5.08 -1.32 -0.02 -4.89 115.64 102.70 1s20 s THR 206 Ca 0.58 -1.53 0.09 0.00 -1.21 0.00 0.00 61.69 59.63 1s20 s THR 206 Cb -0.51 -1.67 0.10 0.00 -1.51 0.00 0.00 72.50 68.91 1s20 s THR 206 CO 0.57 -0.58 0.86 0.29 -2.21 0.00 0.00 174.62 173.55 1s20 n LYS 207 N -0.08 0.68 -2.73 7.08 5.02 -1.26 -2.12 118.16 124.75 1s20 n LYS 207 Ca -0.11 -1.19 -0.43 0.00 -2.02 0.00 0.00 58.31 54.56 1s20 n LYS 207 Cb 0.63 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 34.42 1s20 n LYS 207 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1s20 s GLU 208 N -0.81 3.52 0.19 1.97 -6.30 -1.26 -0.86 118.70 115.14 1s20 s GLU 208 Ca 0.12 0.16 -0.14 0.00 -2.50 0.00 0.00 54.97 52.61 1s20 s GLU 208 Cb 0.08 -3.97 0.18 0.00 0.00 0.00 0.00 34.13 30.42 1s20 s GLU 208 CO 0.12 -1.40 1.67 -1.35 0.02 0.00 0.00 175.26 174.32 1s20 h PRO 209 N 9.25 0.07 -0.65 4.30 0.11 -1.87 -2.92 132.00 140.29 1s20 h PRO 209 Ca -0.24 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.00 1s20 h PRO 209 Cb 1.07 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.05 1s20 h PRO 209 CO 1.09 0.04 -0.08 0.78 -0.21 0.00 0.00 178.00 179.63 1s20 h GLY 210 N 0.07 0.60 0.63 -0.55 0.00 -1.92 -0.14 103.07 101.75 1s20 h GLY 210 Ca 0.25 0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.77 1s20 h GLY 210 CO -0.45 -0.24 0.03 -2.08 0.00 0.00 0.00 176.54 173.80 1s20 h VAL 211 N 0.06 0.84 -0.53 4.60 2.07 -1.89 -1.87 116.25 119.52 1s20 h VAL 211 Ca 0.33 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.77 1s20 h VAL 211 Cb 0.54 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1s20 h VAL 211 CO -0.62 0.02 0.18 0.40 0.02 0.00 0.00 177.57 177.57 1s20 h ILE 212 N 0.13 1.23 -0.01 4.57 2.04 -1.35 -2.07 117.51 122.04 1s20 h ILE 212 Ca 0.13 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1s20 h ILE 212 Cb 0.15 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1s20 h ILE 212 CO -0.19 0.28 -0.05 -0.33 0.00 0.00 0.00 178.15 177.85 1s20 h GLU 213 N 0.72 0.02 0.16 2.37 5.08 -0.68 0.52 114.58 122.78 1s20 h GLU 213 Ca 0.17 -0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.24 1s20 h GLU 213 Cb 0.26 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.53 1s20 h GLU 213 CO -0.01 0.07 -1.22 0.87 -1.00 0.00 0.00 179.01 177.72 1s20 h LYS 214 N 0.02 0.54 -0.01 2.33 1.79 -0.89 -3.35 116.57 117.00 1s20 h LYS 214 Ca 0.00 -0.80 0.00 0.00 -2.18 0.00 0.00 60.65 57.67 1s20 h LYS 214 Cb 0.11 0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1s20 h LYS 214 CO 0.01 1.37 -0.58 0.27 -1.08 0.00 0.00 179.45 179.44 1s20 n ASN 215 N -3.85 1.48 -2.51 0.86 0.23 -0.82 -4.98 115.26 105.68 1s20 n ASN 215 Ca -0.15 -1.18 -0.20 0.00 -0.53 0.00 0.00 54.58 52.52 1s20 n ASN 215 Cb 0.98 0.54 -0.00 0.00 -2.08 0.00 0.00 39.78 39.22 1s20 n ASN 215 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1s20 n ARG 216 N -0.62 -2.22 -2.64 -3.83 5.12 0.18 -4.92 116.66 107.73 1s20 n ARG 216 Ca 0.08 0.95 -0.40 0.00 -1.93 0.00 0.00 57.85 56.55 1s20 n ARG 216 Cb 0.40 -5.64 0.02 0.00 -1.16 0.00 0.00 32.46 26.08 1s20 n ARG 216 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1s20 n ARG 217 N -3.15 5.19 -1.83 5.56 1.74 -1.22 -4.47 116.66 118.48 1s20 n ARG 217 Ca -0.22 -4.65 -0.37 0.00 -0.77 0.00 0.00 57.85 51.85 1s20 n ARG 217 Cb 0.67 -2.44 0.06 0.00 -1.02 0.00 0.00 32.46 29.72 1s20 n ARG 217 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1s20 s ILE 218 N -4.38 2.22 -0.19 0.55 -4.36 -1.26 -2.03 121.20 111.76 1s20 s ILE 218 Ca 0.40 0.14 -0.21 0.00 -0.26 0.00 0.00 60.65 60.72 1s20 s ILE 218 Cb 0.21 -3.06 -0.02 0.00 1.25 0.00 0.00 42.46 40.83 1s20 s ILE 218 CO -0.14 -0.03 0.65 -0.22 0.24 0.00 0.00 174.94 175.44 1s20 s LEU 219 N -4.25 4.16 0.00 0.37 2.96 0.13 -4.59 118.68 117.46 1s20 s LEU 219 Ca 0.81 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.61 1s20 s LEU 219 Cb -0.35 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.40 1s20 s LEU 219 CO 0.38 -0.27 0.00 -2.65 -1.32 0.00 0.00 176.35 172.49 1s20 n PRO 220 N 4.96 0.00 0.00 0.98 -0.02 -1.26 -4.31 135.00 135.35 1s20 n PRO 220 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1s20 n PRO 220 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1s20 n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s20 n GLY 222 N 1.21 0.00 7.00 -1.23 0.00 -1.26 -4.80 105.19 106.11 1s20 n GLY 222 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s20 n GLY 222 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s20 n TYR 223 N 0.00 0.00 0.20 1.61 4.01 -1.26 -1.43 117.16 120.29 1s20 n TYR 223 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 1s20 n TYR 223 Cb 0.00 0.00 0.38 0.00 -0.31 0.00 0.00 39.34 39.41 1s20 n TYR 223 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 1s20 h TRP 224 N 0.00 0.00 -0.04 -0.72 0.09 -1.99 -2.80 115.95 110.50 1s20 h TRP 224 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.97 1s20 h TRP 224 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.24 1s20 h TRP 224 CO 0.00 0.30 -0.01 0.87 0.09 0.00 0.00 178.44 179.69 1s20 h LYS 225 N 0.00 0.07 -0.41 0.12 1.57 -1.63 -0.35 116.57 115.94 1s20 h LYS 225 Ca -0.00 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1s20 h LYS 225 Cb 0.85 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1s20 h LYS 225 CO 0.04 0.41 -0.14 0.78 -0.57 0.00 0.00 179.45 179.98 1s20 h GLY 226 N -0.27 0.81 0.92 3.86 0.00 -1.68 -3.03 103.07 103.67 1s20 h GLY 226 Ca 0.01 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1s20 h GLY 226 CO 0.00 0.57 0.02 0.23 0.00 0.00 0.00 176.54 177.36 1s20 h SER 227 N 0.67 0.04 0.00 0.19 0.87 -1.40 -1.24 113.55 112.68 1s20 h SER 227 Ca 0.11 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1s20 h SER 227 Cb 0.61 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1s20 h SER 227 CO 0.04 0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.07 1s20 n GLY 228 N -0.86 0.41 2.38 5.77 0.00 -0.15 -2.75 105.19 109.99 1s20 n GLY 228 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1s20 n GLY 228 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s20 n SER 230 N 0.83 0.00 -0.09 1.61 2.88 -0.47 -1.94 113.62 116.45 1s20 n SER 230 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1s20 n SER 230 Cb 0.10 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 1s20 n SER 230 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1s20 h ILE 231 N 0.00 1.12 0.00 2.46 2.04 -1.79 -1.51 117.51 119.83 1s20 h ILE 231 Ca 0.00 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.48 1s20 h ILE 231 Cb 0.00 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1s20 h ILE 231 CO 0.00 0.11 -0.45 -0.37 0.00 0.00 0.00 178.15 177.44 1s20 h VAL 232 N 0.36 1.32 -0.17 1.67 -1.51 -1.69 -2.56 116.25 113.66 1s20 h VAL 232 Ca 0.10 -1.55 -0.15 0.00 -1.23 0.00 0.00 66.70 63.87 1s20 h VAL 232 Cb 0.04 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 1s20 h VAL 232 CO -0.02 0.44 -0.54 -0.07 -1.23 0.00 0.00 177.57 176.16 1s20 h LEU 233 N 0.00 0.55 -1.77 4.19 3.38 -1.78 -1.84 115.31 118.03 1s20 h LEU 233 Ca -0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1s20 h LEU 233 Cb 0.80 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1s20 h LEU 233 CO 0.06 0.98 0.00 -0.67 0.09 0.00 0.00 178.44 178.90 1s20 n ASP 234 N -3.96 1.21 0.00 -0.43 2.03 -0.58 -1.79 116.55 113.03 1s20 n ASP 234 Ca -0.03 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.33 1s20 n ASP 234 Cb 0.59 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1s20 n ASP 234 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1s20 n ILE 236 N 0.65 0.00 -0.14 5.18 5.41 -0.69 -1.37 119.36 128.40 1s20 n ILE 236 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 1s20 n ILE 236 Cb 0.21 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 39.19 1s20 n ILE 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s20 h ALA 237 N 0.00 0.48 0.34 -1.39 0.00 -1.61 -0.98 119.26 116.09 1s20 h ALA 237 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1s20 h ALA 237 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1s20 h ALA 237 CO 0.00 -0.33 -0.16 1.15 0.00 0.00 0.00 179.25 179.91 1s20 h THR 238 N 0.21 0.67 0.71 0.00 2.02 -1.46 -2.71 112.91 112.34 1s20 h THR 238 Ca 0.22 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 1s20 h THR 238 Cb 0.29 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1s20 h THR 238 CO -0.30 0.00 -0.34 -0.07 0.37 0.00 0.00 175.52 175.18 1s20 h LEU 239 N -0.46 -0.81 -1.80 2.58 3.38 -1.71 0.33 115.31 116.82 1s20 h LEU 239 Ca -0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1s20 h LEU 239 Cb 0.35 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1s20 h LEU 239 CO 0.08 -0.55 -0.01 -0.07 0.09 0.00 0.00 178.44 177.98 1s20 h LEU 240 N -0.99 0.10 0.00 1.67 3.38 -1.29 -1.32 115.31 116.86 1s20 h LEU 240 Ca -0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1s20 h LEU 240 Cb 0.74 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1s20 h LEU 240 CO 0.16 0.13 -0.86 -1.54 0.09 0.00 0.00 178.44 176.42 1s20 n SER 241 N -4.46 0.69 -3.81 -0.43 3.41 -1.02 -4.77 113.62 103.23 1s20 n SER 241 Ca -0.02 -0.48 -0.27 0.00 -0.26 0.00 0.00 58.87 57.85 1s20 n SER 241 Cb 0.13 0.70 0.04 0.00 -0.26 0.00 0.00 64.21 64.82 1s20 n SER 241 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1s20 n ASP 242 N -1.66 -3.94 0.00 4.04 4.64 0.10 -4.59 116.55 115.15 1s20 n ASP 242 Ca 0.04 -0.76 0.00 0.00 -1.38 0.00 0.00 54.79 52.69 1s20 n ASP 242 Cb 0.37 -4.09 0.00 0.00 -1.04 0.00 0.00 41.12 36.36 1s20 n ASP 242 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1s20 n GLY 243 N -1.69 4.92 3.84 0.27 0.00 -0.47 -5.03 105.19 107.03 1s20 n GLY 243 Ca -0.06 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 1s20 n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 s ALA 244 N -2.12 3.63 0.61 4.61 0.00 -1.26 -4.83 121.76 122.40 1s20 s ALA 244 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 1s20 s ALA 244 Cb 0.00 -2.49 0.08 0.00 0.00 0.00 0.00 23.12 20.72 1s20 s ALA 244 CO 0.00 0.46 0.57 -1.13 0.00 0.00 0.00 175.76 175.66 1s20 n SER 245 N 1.36 0.71 -0.16 0.00 3.41 -1.26 -4.11 113.62 113.56 1s20 n SER 245 Ca -0.09 -1.61 -0.08 0.00 -0.26 0.00 0.00 58.87 56.83 1s20 n SER 245 Cb 0.52 -0.37 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1s20 n SER 245 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1s20 h VAL 246 N -0.57 1.18 -0.12 -3.33 2.07 -1.90 -0.96 116.25 112.62 1s20 h VAL 246 Ca -0.19 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1s20 h VAL 246 Cb 0.68 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1s20 h VAL 246 CO 0.20 0.19 0.02 0.00 0.02 0.00 0.00 177.57 178.00 1s20 h ALA 247 N 1.09 0.12 -0.06 1.67 0.00 -1.87 0.88 119.26 121.10 1s20 h ALA 247 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1s20 h ALA 247 Cb 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1s20 h ALA 247 CO -0.02 -0.43 0.04 1.49 0.00 0.00 0.00 179.25 180.32 1s20 h GLU 248 N 0.08 0.07 -0.27 0.00 4.81 -1.89 -1.45 114.58 115.92 1s20 h GLU 248 Ca 0.05 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1s20 h GLU 248 Cb 0.04 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1s20 h GLU 248 CO -0.07 0.06 0.11 0.28 -0.73 0.00 0.00 179.01 178.66 1s20 h VAL 249 N 0.06 1.18 -0.70 0.32 2.07 -1.03 0.27 116.25 118.42 1s20 h VAL 249 Ca 0.02 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1s20 h VAL 249 Cb 0.01 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1s20 h VAL 249 CO -0.00 0.18 0.44 0.74 0.02 0.00 0.00 177.57 178.95 1s20 h THR 250 N 0.29 1.19 0.04 2.57 2.02 -0.70 -2.40 112.91 115.92 1s20 h THR 250 Ca 0.09 -0.40 -0.26 0.00 0.77 0.00 0.00 66.41 66.61 1s20 h THR 250 Cb 0.18 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 1s20 h THR 250 CO -0.01 0.20 -1.40 1.56 0.37 0.00 0.00 175.52 176.24 1s20 h GLN 251 N 0.96 0.08 0.00 6.66 4.20 -1.22 -3.39 115.11 122.40 1s20 h GLN 251 Ca 0.25 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1s20 h GLN 251 Cb -0.06 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1s20 h GLN 251 CO -0.05 1.06 0.00 -0.25 -0.67 0.00 0.00 178.83 178.92 1s20 n ASP 252 N -4.19 0.00 -4.45 1.46 9.92 0.94 -4.83 116.55 115.40 1s20 n ASP 252 Ca -0.31 0.15 -0.28 0.00 -0.53 0.00 0.00 54.79 53.82 1s20 n ASP 252 Cb 0.77 -0.38 -0.12 0.00 -0.64 0.00 0.00 41.12 40.76 1s20 n ASP 252 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1s20 s ASN 253 N -2.76 3.64 0.48 -2.24 0.01 -0.90 -5.01 114.94 108.17 1s20 s ASN 253 Ca 0.21 -0.70 0.28 0.00 -0.71 0.00 0.00 52.86 51.93 1s20 s ASN 253 Cb 0.18 -0.39 0.89 0.00 0.41 0.00 0.00 41.25 42.34 1s20 s ASN 253 CO 0.46 0.15 1.81 0.77 -1.51 0.00 0.00 177.10 178.78 1s20 h SER 254 N 3.52 0.00 -1.05 -1.22 4.64 -1.88 -3.45 113.55 114.11 1s20 h SER 254 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1s20 h SER 254 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1s20 h SER 254 CO 0.45 0.07 0.00 -0.67 -0.87 0.00 0.00 176.83 175.81 1s20 n ASP 255 N -3.15 0.00 -4.56 4.97 4.64 -1.26 -5.09 116.55 112.10 1s20 n ASP 255 Ca 0.02 -0.96 -0.39 0.00 -1.38 0.00 0.00 54.79 52.08 1s20 n ASP 255 Cb 0.42 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.47 1s20 n ASP 255 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 1s20 s GLU 256 N -1.87 3.44 0.12 -0.67 2.12 -1.26 -4.87 118.70 115.71 1s20 s GLU 256 Ca 0.00 -1.07 -0.21 0.00 0.36 0.00 0.00 54.97 54.05 1s20 s GLU 256 Cb 0.00 -5.33 0.06 0.00 0.26 0.00 0.00 34.13 29.12 1s20 s GLU 256 CO 0.00 -2.44 0.52 1.52 -0.54 0.00 0.00 175.26 174.32 1s20 s TYR 257 N 5.86 -0.41 -0.41 5.30 1.13 -1.26 -4.62 117.35 122.93 1s20 s TYR 257 Ca 0.51 0.23 -0.02 0.00 -1.41 0.00 0.00 57.07 56.38 1s20 s TYR 257 Cb -0.01 0.42 0.00 0.00 -1.10 0.00 0.00 41.96 41.27 1s20 s TYR 257 CO -0.06 -0.76 0.22 0.41 -2.51 0.00 0.00 175.55 172.85 1s20 n GLY 258 N -0.17 0.41 3.95 5.49 0.00 0.13 -4.92 105.19 110.09 1s20 n GLY 258 Ca -0.17 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 1s20 n GLY 258 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s20 s ILE 259 N -2.83 2.19 0.02 -0.61 -4.36 0.25 -4.22 121.20 111.65 1s20 s ILE 259 Ca 0.11 -0.33 0.05 0.00 -0.26 0.00 0.00 60.65 60.22 1s20 s ILE 259 Cb -0.05 -2.86 -0.03 0.00 1.25 0.00 0.00 42.46 40.77 1s20 s ILE 259 CO 0.13 0.00 -0.12 -0.44 0.24 0.00 0.00 174.94 174.75 1s20 s SER 260 N -4.67 4.22 0.04 4.36 0.01 -1.26 -1.17 113.70 115.23 1s20 s SER 260 Ca 0.65 -0.29 -0.03 0.00 1.31 0.00 0.00 55.95 57.60 1s20 s SER 260 Cb -0.07 -0.85 -0.02 0.00 0.21 0.00 0.00 66.02 65.29 1s20 s SER 260 CO 0.46 0.27 0.02 -1.10 0.41 0.00 0.00 173.24 173.30 1s20 s GLN 261 N -1.44 0.51 -0.05 12.44 -0.21 -0.63 -1.26 119.66 129.02 1s20 s GLN 261 Ca 0.16 -0.84 0.02 0.00 0.02 0.00 0.00 55.36 54.72 1s20 s GLN 261 Cb -0.11 0.19 0.01 0.00 1.00 0.00 0.00 33.01 34.10 1s20 s GLN 261 CO 0.07 -0.11 -0.10 0.42 -2.12 0.00 0.00 175.29 173.45 1s20 s ILE 262 N -2.62 0.96 -0.12 1.08 -1.09 -0.14 -0.96 121.20 118.31 1s20 s ILE 262 Ca -0.05 -0.40 0.02 0.00 -2.23 0.00 0.00 60.65 57.99 1s20 s ILE 262 Cb -0.01 -0.88 0.02 0.00 -1.58 0.00 0.00 42.46 40.00 1s20 s ILE 262 CO -0.05 0.31 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.44 1s20 s PHE 263 N 0.57 2.17 -0.05 3.97 0.08 -0.24 -1.91 117.98 122.57 1s20 s PHE 263 Ca -0.11 -1.08 0.04 0.00 0.12 0.00 0.00 56.93 55.90 1s20 s PHE 263 Cb -0.14 -1.54 -0.00 0.00 -0.57 0.00 0.00 43.02 40.77 1s20 s PHE 263 CO 0.02 -0.55 -0.17 0.42 -0.10 0.00 0.00 175.22 174.84 1s20 s ILE 264 N 1.05 1.44 -0.02 0.64 1.01 0.25 -0.02 121.20 125.55 1s20 s ILE 264 Ca -0.04 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.93 1s20 s ILE 264 Cb -0.15 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 1s20 s ILE 264 CO -0.04 0.42 -0.15 0.00 0.00 0.00 0.00 174.94 175.17 1s20 s ALA 265 N 0.09 1.25 -0.05 9.38 0.00 -0.19 -1.23 121.76 131.01 1s20 s ALA 265 Ca -0.05 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1s20 s ALA 265 Cb -0.12 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.65 1s20 s ALA 265 CO 0.03 0.28 -0.11 0.42 0.00 0.00 0.00 175.76 176.37 1s20 s ILE 266 N -0.19 1.02 0.26 0.00 1.01 -0.85 -0.16 121.20 122.29 1s20 s ILE 266 Ca 0.02 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 59.95 1s20 s ILE 266 Cb -0.07 -0.93 -0.09 0.00 0.01 0.00 0.00 42.46 41.37 1s20 s ILE 266 CO 0.00 0.32 1.08 -0.70 0.00 0.00 0.00 174.94 175.64 1s20 s GLU 267 N 0.58 4.67 -0.06 2.79 2.12 0.27 -1.04 118.70 128.02 1s20 s GLU 267 Ca -0.12 1.76 -0.04 0.00 0.36 0.00 0.00 54.97 56.93 1s20 s GLU 267 Cb -0.14 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 1s20 s GLU 267 CO 0.03 0.24 -0.10 0.28 -0.54 0.00 0.00 175.26 175.16 1s20 n VAL 268 N 1.34 0.59 0.08 3.70 0.31 -1.26 -4.73 118.33 118.37 1s20 n VAL 268 Ca -0.01 -0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.32 1s20 n VAL 268 Cb 0.45 -1.64 0.22 0.00 -0.91 0.00 0.00 33.84 31.95 1s20 n VAL 268 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1s20 n ASP 269 N -3.43 0.20 0.01 4.52 8.00 -1.26 -0.95 116.55 123.64 1s20 n ASP 269 Ca -0.14 0.48 0.11 0.00 0.71 0.00 0.00 54.79 55.95 1s20 n ASP 269 Cb 0.54 -0.47 0.01 0.00 -0.02 0.00 0.00 41.12 41.17 1s20 n ASP 269 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s20 n LYS 270 N -1.74 0.14 -0.02 -1.24 5.02 -1.26 -4.30 118.16 114.77 1s20 n LYS 270 Ca -0.01 -0.01 0.05 0.00 -2.02 0.00 0.00 58.31 56.32 1s20 n LYS 270 Cb 0.20 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.56 1s20 n LYS 270 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1s20 n LEU 271 N -1.71 0.00 -3.94 -0.35 4.77 -0.13 -4.99 117.00 110.65 1s20 n LEU 271 Ca 0.03 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1s20 n LEU 271 Cb 0.38 0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1s20 n LEU 271 CO 0.40 0.06 -0.39 -0.51 -1.33 0.00 0.00 177.39 175.63 1s20 s ILE 272 N -2.90 0.31 0.53 -0.08 2.07 -0.96 -5.14 121.20 115.03 1s20 s ILE 272 Ca -0.06 -0.20 -0.22 0.00 -1.41 0.00 0.00 60.65 58.77 1s20 s ILE 272 Cb 0.08 -0.27 -0.05 0.00 0.13 0.00 0.00 42.46 42.35 1s20 s ILE 272 CO 0.60 0.07 1.28 -0.62 -1.91 0.00 0.00 174.94 174.36 1s20 s ASP 273 N -0.15 5.54 0.14 4.50 3.68 -1.26 -4.49 116.67 124.63 1s20 s ASP 273 Ca 0.01 2.57 -0.23 0.00 2.13 0.00 0.00 52.55 57.03 1s20 s ASP 273 Cb -0.02 -2.62 0.00 0.00 -1.45 0.00 0.00 42.92 38.83 1s20 s ASP 273 CO -0.00 -1.37 1.64 1.23 0.13 0.00 0.00 175.17 176.80 1s20 h GLY 274 N 1.57 -0.15 0.97 2.66 0.00 -1.98 0.32 103.07 106.46 1s20 h GLY 274 Ca -0.50 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1s20 h GLY 274 CO 0.58 -0.18 0.24 -2.55 0.00 0.00 0.00 176.54 174.62 1s20 h PRO 275 N -0.24 0.62 -0.82 4.80 0.11 -2.00 -1.71 132.00 132.76 1s20 h PRO 275 Ca 0.11 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 1s20 h PRO 275 Cb 0.41 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.36 1s20 h PRO 275 CO -0.31 0.50 0.40 1.15 -0.21 0.00 0.00 178.00 179.53 1s20 h THR 276 N 0.58 1.25 0.18 -1.15 2.02 -1.86 -0.88 112.91 113.05 1s20 h THR 276 Ca 0.16 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1s20 h THR 276 Cb 0.07 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1s20 h THR 276 CO -0.02 0.30 -0.09 -0.09 0.37 0.00 0.00 175.52 175.99 1s20 h ARG 277 N 1.17 -0.23 -0.69 6.66 1.12 -0.12 0.14 114.38 122.42 1s20 h ARG 277 Ca 0.28 0.02 0.02 0.00 -1.11 0.00 0.00 59.98 59.19 1s20 h ARG 277 Cb 0.11 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.08 1s20 h ARG 277 CO -0.04 -0.15 0.45 -0.44 -3.11 0.00 0.00 179.97 176.68 1s20 h ASP 278 N -0.25 0.75 0.24 -3.80 3.45 -1.08 -2.15 116.42 113.59 1s20 h ASP 278 Ca -0.02 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 1s20 h ASP 278 Cb 0.19 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 1s20 h ASP 278 CO 0.04 0.53 -0.11 0.00 -1.57 0.00 0.00 179.24 178.13 1s20 h ALA 279 N 1.28 -0.32 -0.68 3.45 0.00 -0.98 -2.36 119.26 119.64 1s20 h ALA 279 Ca 0.27 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1s20 h ALA 279 Cb -0.04 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1s20 h ALA 279 CO -0.08 -0.41 0.31 0.87 0.00 0.00 0.00 179.25 179.93 1s20 h LYS 280 N -0.86 0.51 -0.57 0.00 1.57 -0.73 0.39 116.57 116.87 1s20 h LYS 280 Ca -0.03 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1s20 h LYS 280 Cb 0.51 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1s20 h LYS 280 CO 0.05 0.33 0.00 -0.07 -0.57 0.00 0.00 179.45 179.20 1s20 h LEU 281 N 0.52 0.95 -0.92 2.94 3.38 -1.48 -2.52 115.31 118.18 1s20 h LEU 281 Ca 0.34 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1s20 h LEU 281 Cb 0.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1s20 h LEU 281 CO -0.29 1.00 0.13 -0.61 0.09 0.00 0.00 178.44 178.76 1s20 h GLN 282 N 0.90 0.92 -0.30 1.13 5.75 -0.65 -2.12 115.11 120.73 1s20 h GLN 282 Ca 0.16 -0.20 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 1s20 h GLN 282 Cb 0.52 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 1s20 h GLN 282 CO 0.03 0.83 -0.02 -0.09 -2.65 0.00 0.00 178.83 176.93 1s20 h ARG 283 N 0.88 0.46 -0.43 1.69 2.43 -0.66 0.13 114.38 118.89 1s20 h ARG 283 Ca 0.19 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1s20 h ARG 283 Cb 0.33 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1s20 h ARG 283 CO 0.00 0.50 0.00 -0.89 -1.51 0.00 0.00 179.97 178.07 1s20 n ILE 284 N -4.29 0.00 0.00 1.20 5.41 -0.80 -1.71 119.36 119.18 1s20 n ILE 284 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1s20 n ILE 284 Cb 0.24 -0.26 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 1s20 n ILE 284 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1s20 n ASP 286 N 0.05 0.00 0.22 4.38 8.00 0.03 -2.55 116.55 126.68 1s20 n ASP 286 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 1s20 n ASP 286 Cb 0.11 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 41.71 1s20 n ASP 286 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1s20 h TYR 287 N 0.00 0.00 0.00 1.24 -0.00 -1.55 -0.63 116.97 116.03 1s20 h TYR 287 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1s20 h TYR 287 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1s20 h TYR 287 CO 0.00 0.21 -0.01 0.28 -0.00 0.00 0.00 178.16 178.64 1s20 h VAL 288 N 0.00 0.51 0.00 1.81 2.07 -1.77 -3.31 116.25 115.57 1s20 h VAL 288 Ca -0.00 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1s20 h VAL 288 Cb 0.38 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1s20 h VAL 288 CO 0.03 0.17 0.00 0.71 0.02 0.00 0.00 177.57 178.50 1s20 h THR 289 N -1.00 0.00 -0.01 2.57 1.35 -1.81 -2.48 112.91 111.54 1s20 h THR 289 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1s20 h THR 289 Cb 0.29 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1s20 h THR 289 CO -0.00 0.00 -0.38 -1.54 -0.25 0.00 0.00 175.52 173.35 1s20 n SER 290 N -2.97 0.98 -4.71 5.36 3.41 -0.25 -4.69 113.62 110.75 1s20 n SER 290 Ca -0.01 -0.79 -0.39 0.00 -0.26 0.00 0.00 58.87 57.42 1s20 n SER 290 Cb 0.19 0.24 0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1s20 n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s20 n ALA 291 N -0.85 1.34 -1.65 7.33 0.00 -0.94 -4.86 120.51 120.88 1s20 n ALA 291 Ca 0.10 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 1s20 n ALA 291 Cb 0.35 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 1s20 n ALA 291 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1s20 s GLU 292 N -2.58 3.94 0.57 0.00 2.12 -1.26 -4.93 118.70 116.56 1s20 s GLU 292 Ca 0.67 2.51 -0.18 0.00 0.36 0.00 0.00 54.97 58.33 1s20 s GLU 292 Cb -0.45 -4.21 -0.05 0.00 0.26 0.00 0.00 34.13 29.68 1s20 s GLU 292 CO 0.53 -1.19 1.09 1.03 -0.54 0.00 0.00 175.26 176.18 1s20 s ARG 293 N 4.85 3.34 0.39 4.30 0.52 -1.26 -4.95 118.95 126.14 1s20 s ARG 293 Ca 0.91 1.41 0.23 0.00 -0.52 0.00 0.00 55.73 57.76 1s20 s ARG 293 Cb -0.41 -2.02 0.32 0.00 0.52 0.00 0.00 34.95 33.36 1s20 s ARG 293 CO 0.40 -0.82 1.54 0.00 0.02 0.00 0.00 175.30 176.44 1s20 h ALA 294 N 0.86 0.93 -3.21 2.13 0.00 -1.91 -3.40 119.26 114.66 1s20 h ALA 294 Ca -0.48 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 53.87 1s20 h ALA 294 Cb 1.24 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.63 1s20 h ALA 294 CO 0.57 0.00 -0.76 0.34 0.00 0.00 0.00 179.25 179.40 1s20 s ASP 295 N -5.98 3.52 0.52 0.00 -1.08 -1.26 -5.03 116.67 107.37 1s20 s ASP 295 Ca 0.06 -1.24 0.44 0.00 -0.52 0.00 0.00 52.55 51.29 1s20 s ASP 295 Cb 0.06 -0.74 1.65 0.00 -1.46 0.00 0.00 42.92 42.43 1s20 s ASP 295 CO 0.68 -0.36 1.60 -0.08 0.52 0.00 0.00 175.17 177.54 1s20 h GLU 296 N 8.17 0.01 -0.46 4.34 4.57 -2.00 0.42 114.58 129.63 1s20 h GLU 296 Ca -0.15 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1s20 h GLU 296 Cb 1.06 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1s20 h GLU 296 CO 0.41 0.01 0.00 0.09 -1.18 0.00 0.00 179.01 178.34 1s20 n ASN 297 N -4.18 3.24 -4.22 1.04 3.02 -1.26 -4.89 115.26 108.01 1s20 n ASN 297 Ca 0.41 -2.00 -0.37 0.00 -0.03 0.00 0.00 54.58 52.59 1s20 n ASN 297 Cb 1.80 -0.31 -0.12 0.00 -0.61 0.00 0.00 39.78 40.54 1s20 n ASN 297 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1s20 s GLN 298 N -1.01 2.45 0.63 3.52 2.00 0.15 -5.09 119.66 122.32 1s20 s GLN 298 Ca 0.31 -1.36 -0.18 0.00 -2.00 0.00 0.00 55.36 52.13 1s20 s GLN 298 Cb 0.16 -3.45 -0.02 0.00 0.80 0.00 0.00 33.01 30.50 1s20 s GLN 298 CO 0.21 -0.77 1.15 0.00 -0.50 0.00 0.00 175.29 175.38 1s20 n ALA 299 N 4.73 0.74 -2.57 1.58 0.00 -1.26 -4.68 120.51 119.05 1s20 n ALA 299 Ca -0.10 -0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 1s20 n ALA 299 Cb 0.43 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 1s20 n ALA 299 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1s20 s ILE 300 N -1.44 4.50 0.42 0.00 -1.09 -1.26 -5.02 121.20 117.30 1s20 s ILE 300 Ca 0.80 0.76 -0.23 0.00 -2.23 0.00 0.00 60.65 59.75 1s20 s ILE 300 Cb -0.39 -4.41 -0.10 0.00 -1.58 0.00 0.00 42.46 35.98 1s20 s ILE 300 CO 0.43 -0.79 1.00 -0.13 -1.23 0.00 0.00 174.94 174.22 1s20 s ARG 301 N 3.67 4.15 -0.08 2.79 0.52 -1.26 -4.63 118.95 124.12 1s20 s ARG 301 Ca 0.36 1.34 -0.02 0.00 -0.52 0.00 0.00 55.73 56.89 1s20 s ARG 301 Cb -0.10 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 1s20 s ARG 301 CO 0.25 -0.12 0.03 -0.51 0.02 0.00 0.00 175.30 174.98 1s20 s LEU 302 N -2.91 3.75 0.09 2.53 1.43 -1.26 -5.01 118.68 117.29 1s20 s LEU 302 Ca 0.60 0.19 -0.34 0.00 -1.03 0.00 0.00 54.13 53.55 1s20 s LEU 302 Cb -0.16 -1.93 -0.13 0.00 0.03 0.00 0.00 46.19 43.99 1s20 s LEU 302 CO 0.21 0.36 1.67 -0.81 0.23 0.00 0.00 176.35 178.02 1s20 n PRO 303 N 1.94 2.17 -0.99 1.29 -0.04 -1.26 -2.25 135.00 135.86 1s20 n PRO 303 Ca -0.18 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1s20 n PRO 303 Cb 0.54 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1s20 n PRO 303 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s20 n GLY 304 N 3.72 0.95 0.00 0.55 0.00 -1.26 -4.56 105.19 104.59 1s20 n GLY 304 Ca 0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.37 1s20 n GLY 304 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s20 n HIS 305 N -2.06 0.00 0.25 1.61 8.25 -0.95 -3.48 115.22 118.84 1s20 n HIS 305 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1s20 n HIS 305 Cb 0.00 -0.02 0.05 0.00 1.12 0.00 0.00 29.99 31.14 1s20 n HIS 305 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1s20 h GLU 306 N 0.00 0.00 0.00 -0.41 9.09 -1.90 -3.36 114.58 118.00 1s20 h GLU 306 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 1s20 h GLU 306 Cb 0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 1s20 h GLU 306 CO 0.00 0.00 -0.22 0.74 0.05 0.00 0.00 179.01 179.58 1s20 h PHE 307 N 0.00 0.00 -0.22 2.06 0.04 -1.87 -2.66 116.94 114.30 1s20 h PHE 307 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1s20 h PHE 307 Cb 0.92 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 1s20 h PHE 307 CO 0.00 0.22 0.05 1.15 -0.60 0.00 0.00 178.31 179.13 1s20 h THR 308 N 0.00 1.21 -0.23 -1.55 2.02 -1.81 -1.52 112.91 111.03 1s20 h THR 308 Ca -0.00 -0.69 -0.18 0.00 0.77 0.00 0.00 66.41 66.31 1s20 h THR 308 Cb 0.63 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1s20 h THR 308 CO 0.03 0.22 -0.57 0.74 0.37 0.00 0.00 175.52 176.31 1s20 h THR 309 N 0.16 1.30 -0.24 3.16 2.02 -1.78 -2.45 112.91 115.09 1s20 h THR 309 Ca 0.07 -1.79 0.02 0.00 0.77 0.00 0.00 66.41 65.48 1s20 h THR 309 Cb 0.28 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1s20 h THR 309 CO 0.00 0.57 0.10 -0.07 0.37 0.00 0.00 175.52 176.49 1s20 h LEU 310 N 0.54 0.13 0.49 2.58 3.38 -1.40 -0.61 115.31 120.41 1s20 h LEU 310 Ca 0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1s20 h LEU 310 Cb 1.15 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1s20 h LEU 310 CO 0.12 0.11 -0.24 0.25 0.09 0.00 0.00 178.44 178.77 1s20 h LEU 311 N 0.22 -0.56 -0.78 1.67 5.85 -1.26 -2.04 115.31 118.42 1s20 h LEU 311 Ca 0.10 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1s20 h LEU 311 Cb 0.05 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1s20 h LEU 311 CO -0.09 -0.29 0.45 0.00 -0.34 0.00 0.00 178.44 178.17 1s20 h ALA 312 N -0.37 1.08 0.00 1.25 0.00 -1.40 -1.58 119.26 118.23 1s20 h ALA 312 Ca -0.07 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1s20 h ALA 312 Cb 0.57 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1s20 h ALA 312 CO 0.11 0.12 -0.26 1.49 0.00 0.00 0.00 179.25 180.71 1s20 h GLU 313 N 0.79 0.00 0.00 0.00 4.81 -1.06 -2.06 114.58 117.06 1s20 h GLU 313 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1s20 h GLU 313 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1s20 h GLU 313 CO -0.21 0.26 -0.15 0.09 -0.73 0.00 0.00 179.01 178.28 1s20 n ASN 314 N -3.97 0.69 0.03 1.04 3.02 -0.64 -2.55 115.26 112.89 1s20 n ASN 314 Ca -0.02 0.45 0.11 0.00 -0.03 0.00 0.00 54.58 55.09 1s20 n ASN 314 Cb 0.34 -0.53 0.08 0.00 -0.61 0.00 0.00 39.78 39.06 1s20 n ASN 314 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1s20 n ARG 315 N -2.12 0.24 -0.04 3.52 1.74 -0.82 -2.84 116.66 116.33 1s20 n ARG 315 Ca 0.05 0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 56.93 1s20 n ARG 315 Cb 0.42 -1.60 -0.13 0.00 -1.02 0.00 0.00 32.46 30.13 1s20 n ARG 315 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1s20 n ARG 316 N -1.91 0.69 -0.99 5.56 3.00 -0.95 -4.55 116.66 117.51 1s20 n ARG 316 Ca 0.03 0.35 -0.02 0.00 -0.00 0.00 0.00 57.85 58.21 1s20 n ARG 316 Cb 0.42 -1.70 0.16 0.00 0.00 0.00 0.00 32.46 31.34 1s20 n ARG 316 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1s20 n ASN 317 N -3.79 2.55 -1.25 6.15 3.02 -1.06 -5.11 115.26 115.79 1s20 n ASN 317 Ca -0.34 -3.85 0.17 0.00 -0.03 0.00 0.00 54.58 50.53 1s20 n ASN 317 Cb 0.93 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 39.58 1s20 n ASN 317 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s20 n GLY 318 N -1.00 -1.83 3.89 7.41 0.00 -1.13 -4.84 105.19 107.69 1s20 n GLY 318 Ca 0.25 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 1s20 n GLY 318 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s20 s ILE 319 N -2.09 5.46 -0.34 -0.61 1.01 -0.56 -4.57 121.20 119.50 1s20 s ILE 319 Ca 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 1s20 s ILE 319 Cb 0.00 -3.47 0.05 0.00 0.01 0.00 0.00 42.46 39.04 1s20 s ILE 319 CO 0.00 0.48 0.11 -0.89 0.00 0.00 0.00 174.94 174.64 1s20 s THR 320 N -1.17 3.72 0.09 2.92 2.01 -1.26 -1.05 115.64 120.89 1s20 s THR 320 Ca 0.21 -1.21 0.07 0.00 0.31 0.00 0.00 61.69 61.07 1s20 s THR 320 Cb -0.12 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1s20 s THR 320 CO 0.11 -0.21 -0.13 0.68 -0.69 0.00 0.00 174.62 174.37 1s20 s VAL 321 N 1.38 3.15 0.08 3.82 -7.23 -1.26 -5.01 120.40 115.32 1s20 s VAL 321 Ca -0.01 -1.29 -0.31 0.00 -1.81 0.00 0.00 61.98 58.56 1s20 s VAL 321 Cb -0.20 -2.44 -0.09 0.00 0.56 0.00 0.00 36.38 34.22 1s20 s VAL 321 CO 0.02 0.16 1.73 -0.62 -0.31 0.00 0.00 175.10 176.08 1s20 s ASP 322 N -2.01 6.54 0.34 4.85 2.15 -1.26 -4.68 116.67 122.60 1s20 s ASP 322 Ca 0.19 2.57 0.09 0.00 0.43 0.00 0.00 52.55 55.83 1s20 s ASP 322 Cb -0.11 -2.56 0.84 0.00 -0.30 0.00 0.00 42.92 40.79 1s20 s ASP 322 CO 0.11 -0.93 1.80 0.44 -0.17 0.00 0.00 175.17 176.42 1s20 h ASP 323 N 8.62 0.68 -0.60 -0.34 5.19 -1.99 0.25 116.42 128.22 1s20 h ASP 323 Ca -0.44 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.01 1s20 h ASP 323 Cb 1.21 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.64 1s20 h ASP 323 CO 0.94 0.25 0.24 -1.28 -3.12 0.00 0.00 179.24 176.27 1s20 h SER 324 N 0.67 0.87 -0.19 6.45 0.87 -1.99 0.11 113.55 120.34 1s20 h SER 324 Ca 0.54 -0.13 -0.17 0.00 -1.23 0.00 0.00 61.79 60.80 1s20 h SER 324 Cb 0.97 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1s20 h SER 324 CO -0.31 0.79 -0.55 0.58 -0.53 0.00 0.00 176.83 176.81 1s20 h VAL 325 N 0.92 1.31 -0.59 2.23 2.07 -1.37 -2.51 116.25 118.32 1s20 h VAL 325 Ca 0.21 -1.78 -0.05 0.00 0.82 0.00 0.00 66.70 65.90 1s20 h VAL 325 Cb 0.21 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1s20 h VAL 325 CO -0.02 0.56 0.16 -0.25 0.02 0.00 0.00 177.57 178.04 1s20 h TRP 326 N 0.42 0.93 -0.43 1.57 2.91 -0.99 -1.55 115.95 118.81 1s20 h TRP 326 Ca -0.01 -0.09 -0.10 0.00 1.13 0.00 0.00 58.89 59.82 1s20 h TRP 326 Cb 1.17 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 29.53 1s20 h TRP 326 CO 0.09 0.77 -0.14 0.00 -1.03 0.00 0.00 178.44 178.13 1s20 h ALA 327 N 1.30 0.96 -0.08 2.65 0.00 -0.96 -0.36 119.26 122.77 1s20 h ALA 327 Ca 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1s20 h ALA 327 Cb 0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1s20 h ALA 327 CO -0.00 0.61 0.05 0.87 0.00 0.00 0.00 179.25 180.78 1s20 h LYS 328 N 0.71 0.11 -0.64 0.00 1.57 -0.95 0.28 116.57 117.65 1s20 h LYS 328 Ca 0.11 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1s20 h LYS 328 Cb 0.63 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1s20 h LYS 328 CO 0.04 0.13 0.36 0.82 -0.57 0.00 0.00 179.45 180.24 1s20 h ILE 329 N 0.06 1.19 -0.42 1.86 2.04 -1.05 -1.74 117.51 119.46 1s20 h ILE 329 Ca 0.03 -0.46 -0.15 0.00 1.00 0.00 0.00 64.86 65.28 1s20 h ILE 329 Cb 0.05 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1s20 h ILE 329 CO -0.01 0.21 -0.33 -0.61 0.00 0.00 0.00 178.15 177.41 1s20 h GLN 330 N 0.89 0.96 0.00 2.37 5.75 -0.51 -3.01 115.11 121.55 1s20 h GLN 330 Ca 0.23 -0.47 -0.02 0.00 -0.15 0.00 0.00 58.65 58.24 1s20 h GLN 330 Cb 0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 1s20 h GLN 330 CO -0.04 1.14 -0.08 0.00 -2.65 0.00 0.00 178.83 177.19 1s20 h ALA 331 N 0.81 1.68 -0.04 3.38 0.00 0.40 -2.05 119.26 123.44 1s20 h ALA 331 Ca 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1s20 h ALA 331 Cb 0.92 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1s20 h ALA 331 CO 0.09 0.10 -0.13 -0.07 0.00 0.00 0.00 179.25 179.24 1s20 h LEU 332 N 0.00 0.06 -5.27 0.00 3.38 -1.25 -3.04 115.31 109.18 1s20 h LEU 332 Ca -0.00 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.30 1s20 h LEU 332 Cb 0.17 -0.02 -0.13 0.00 0.09 0.00 0.00 40.66 40.77 1s20 h LEU 332 CO 0.01 0.20 1.89 0.18 0.09 0.00 0.00 178.44 180.82 1s20 n LEU 333 N -4.35 7.61 0.00 1.67 4.77 -0.77 -5.08 117.00 120.85 1s20 n LEU 333 Ca -0.02 -4.60 0.00 0.00 -0.03 0.00 0.00 56.01 51.36 1s20 n LEU 333 Cb 0.22 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1s20 n LEU 333 CO 0.36 1.97 0.00 1.21 -1.33 0.00 0.00 177.39 179.60