#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdn n GLU 7 N 0.00 2.01 0.00 -1.58 1.02 -1.26 -2.59 120.64 118.24 2xdn n GLU 7 Ca 0.00 -1.34 0.09 0.00 -0.02 0.00 0.00 57.16 55.89 2xdn n GLU 7 Cb 0.00 -2.35 -0.10 0.00 -0.02 0.00 0.00 31.44 28.97 2xdn n GLU 7 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2xdn n GLU 8 N 3.88 0.74 -0.04 3.49 -0.58 -1.26 -4.14 120.64 122.74 2xdn n GLU 8 Ca 0.43 -0.10 0.05 0.00 -0.42 0.00 0.00 57.16 57.12 2xdn n GLU 8 Cb 0.21 -1.41 0.42 0.00 -0.57 0.00 0.00 31.44 30.10 2xdn n GLU 8 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2xdn h ALA 9 N 2.80 1.73 -0.08 0.62 0.00 -1.94 -2.60 119.26 119.79 2xdn h ALA 9 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2xdn h ALA 9 Cb 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2xdn h ALA 9 CO 0.00 0.23 -0.25 1.96 0.00 0.00 0.00 179.25 181.19 2xdn h GLN 10 N 0.58 0.13 0.08 0.00 4.20 -1.86 -1.65 115.11 116.60 2xdn h GLN 10 Ca 0.19 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.73 2xdn h GLN 10 Cb 0.03 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.81 2xdn h GLN 10 CO -0.04 0.38 -0.59 0.93 -0.67 0.00 0.00 178.83 178.83 2xdn h GLU 11 N 0.12 0.18 -0.29 1.46 4.39 -1.73 -3.10 114.58 115.61 2xdn h GLU 11 Ca 0.02 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 2xdn h GLU 11 Cb 0.51 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2xdn h GLU 11 CO 0.04 1.14 -0.10 1.79 -1.16 0.00 0.00 179.01 180.72 2xdn h THR 12 N -0.62 1.22 -0.76 1.13 1.35 -1.45 -1.21 112.91 112.57 2xdn h THR 12 Ca -0.11 -0.94 0.01 0.00 -0.55 0.00 0.00 66.41 64.81 2xdn h THR 12 Cb 1.41 1.11 -0.04 0.00 -1.73 0.00 0.00 68.15 68.90 2xdn h THR 12 CO 0.07 0.31 0.50 -0.09 -0.25 0.00 0.00 175.52 176.07 2xdn h ARG 13 N 0.44 1.00 -0.26 4.72 2.43 -1.44 -0.44 114.38 120.83 2xdn h ARG 13 Ca 0.09 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2xdn h ARG 13 Cb 0.45 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2xdn h ARG 13 CO 0.02 0.66 -0.16 0.00 -1.51 0.00 0.00 179.97 178.99 2xdn h ALA 14 N 1.28 1.23 0.00 2.80 0.00 -1.20 -2.01 119.26 121.37 2xdn h ALA 14 Ca 0.28 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2xdn h ALA 14 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2xdn h ALA 14 CO -0.06 0.50 -0.43 -0.56 0.00 0.00 0.00 179.25 178.70 2xdn h GLN 15 N 0.42 0.00 0.32 0.00 3.07 -0.56 -1.03 115.11 117.33 2xdn h GLN 15 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.80 2xdn h GLN 15 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.09 2xdn h GLN 15 CO 0.03 0.43 -0.15 0.82 0.09 0.00 0.00 178.83 180.05 2xdn h ILE 16 N 0.00 0.67 -0.29 1.86 2.04 -0.85 -1.94 117.51 119.01 2xdn h ILE 16 Ca -0.00 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.33 2xdn h ILE 16 Cb 1.27 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2xdn h ILE 16 CO 0.06 0.10 0.12 0.40 0.00 0.00 0.00 178.15 178.83 2xdn h ILE 17 N -0.75 0.95 -0.93 -0.67 2.04 -1.38 0.16 117.51 116.93 2xdn h ILE 17 Ca -0.04 -0.09 0.10 0.00 1.00 0.00 0.00 64.86 65.83 2xdn h ILE 17 Cb 0.50 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 2xdn h ILE 17 CO 0.07 0.05 0.60 -0.08 0.00 0.00 0.00 178.15 178.79 2xdn h GLU 18 N 0.26 0.91 0.00 2.37 4.81 -1.27 -2.07 114.58 119.59 2xdn h GLU 18 Ca 0.12 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 2xdn h GLU 18 Cb 0.07 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2xdn h GLU 18 CO -0.11 0.60 -0.69 0.00 -0.73 0.00 0.00 179.01 178.08 2xdn h ALA 19 N 1.54 0.79 -0.28 2.92 0.00 -0.37 -2.98 119.26 120.88 2xdn h ALA 19 Ca 0.44 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2xdn h ALA 19 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2xdn h ALA 19 CO -0.20 0.87 -0.35 0.00 0.00 0.00 0.00 179.25 179.57 2xdn h ALA 20 N 1.31 0.87 -0.40 0.00 0.00 -0.11 -1.31 119.26 119.62 2xdn h ALA 20 Ca -0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2xdn h ALA 20 Cb 1.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2xdn h ALA 20 CO 0.09 0.63 0.11 0.93 0.00 0.00 0.00 179.25 181.01 2xdn h GLU 21 N 0.52 0.63 -0.31 0.00 5.08 -1.35 0.00 114.58 119.16 2xdn h GLU 21 Ca 0.06 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2xdn h GLU 21 Cb 0.85 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2xdn h GLU 21 CO 0.07 0.64 0.11 0.00 -1.00 0.00 0.00 179.01 178.83 2xdn h ARG 22 N 0.50 0.47 -0.11 2.33 3.08 -1.35 -0.98 114.38 118.32 2xdn h ARG 22 Ca 0.13 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2xdn h ARG 22 Cb 0.29 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 2xdn h ARG 22 CO -0.00 0.50 -0.18 0.00 -1.07 0.00 0.00 179.97 179.22 2xdn h ALA 23 N 0.95 0.17 -0.44 0.04 0.00 -1.21 -0.68 119.26 118.10 2xdn h ALA 23 Ca 0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2xdn h ALA 23 Cb 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2xdn h ALA 23 CO -0.01 0.09 0.23 0.74 0.00 0.00 0.00 179.25 180.31 2xdn h PHE 24 N -0.10 0.61 -0.09 0.00 0.05 -1.06 0.26 116.94 116.61 2xdn h PHE 24 Ca 0.01 -0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.79 2xdn h PHE 24 Cb 0.75 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 38.50 2xdn h PHE 24 CO 0.10 0.47 0.02 -0.92 -0.18 0.00 0.00 178.31 177.81 2xdn h TYR 25 N 0.57 0.04 -0.15 -0.55 3.20 -1.20 0.84 116.97 119.71 2xdn h TYR 25 Ca 0.15 0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.82 2xdn h TYR 25 Cb 0.08 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.35 2xdn h TYR 25 CO -0.02 0.02 -0.74 0.87 -1.64 0.00 0.00 178.16 176.65 2xdn h LYS 26 N 0.06 0.72 -0.00 1.82 1.79 -1.03 -3.38 116.57 116.56 2xdn h LYS 26 Ca 0.04 -0.57 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 2xdn h LYS 26 Cb 0.03 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2xdn h LYS 26 CO -0.05 1.19 -0.01 0.54 -1.08 0.00 0.00 179.45 180.04 2xdn n ARG 27 N -3.92 2.80 -0.52 3.15 1.74 0.91 -5.08 116.66 115.73 2xdn n ARG 27 Ca -0.06 -0.27 0.02 0.00 -0.77 0.00 0.00 57.85 56.76 2xdn n ARG 27 Cb 0.72 -0.77 -0.01 0.00 -1.02 0.00 0.00 32.46 31.38 2xdn n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xdn n GLY 28 N 0.50 -3.11 0.25 -0.13 0.00 0.29 -4.57 105.19 98.42 2xdn n GLY 28 Ca 0.00 -1.21 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 2xdn n GLY 28 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2xdn h VAL 29 N -0.15 1.21 -0.58 1.61 2.07 -1.45 -3.23 116.25 115.73 2xdn h VAL 29 Ca -0.03 -0.61 0.11 0.00 0.82 0.00 0.00 66.70 67.00 2xdn h VAL 29 Cb 0.39 0.57 -0.11 0.00 -1.52 0.00 0.00 31.29 30.61 2xdn h VAL 29 CO 0.01 0.24 -0.23 0.00 0.02 0.00 0.00 177.57 177.61 2xdn h ALA 30 N 1.10 0.20 -0.58 1.67 0.00 -1.85 -2.40 119.26 117.39 2xdn h ALA 30 Ca 0.19 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2xdn h ALA 30 Cb 0.14 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2xdn h ALA 30 CO -0.02 -0.54 0.00 0.54 0.00 0.00 0.00 179.25 179.23 2xdn n ARG 31 N -5.43 2.79 -3.42 0.00 1.74 -1.25 -4.89 116.66 106.21 2xdn n ARG 31 Ca 0.06 -2.42 -0.38 0.00 -0.77 0.00 0.00 57.85 54.33 2xdn n ARG 31 Cb 0.34 -1.45 -0.08 0.00 -1.02 0.00 0.00 32.46 30.25 2xdn n ARG 31 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2xdn s THR 32 N -1.00 5.21 0.22 0.55 2.01 -0.90 -5.07 115.64 116.65 2xdn s THR 32 Ca 0.39 0.61 0.03 0.00 0.31 0.00 0.00 61.69 63.03 2xdn s THR 32 Cb 0.20 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 2xdn s THR 32 CO 0.26 0.23 0.36 0.42 -0.69 0.00 0.00 174.62 175.20 2xdn s THR 33 N 1.55 5.26 0.24 -0.82 -4.23 -1.26 -4.95 115.64 111.42 2xdn s THR 33 Ca 0.16 -0.79 -0.05 0.00 -1.18 0.00 0.00 61.69 59.83 2xdn s THR 33 Cb -0.15 -3.81 0.20 0.00 1.34 0.00 0.00 72.50 70.07 2xdn s THR 33 CO 0.08 -0.27 1.80 -0.07 -0.54 0.00 0.00 174.62 175.62 2xdn h LEU 34 N 1.49 0.59 -1.55 4.79 3.38 -1.98 0.01 115.31 122.03 2xdn h LEU 34 Ca -0.50 0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.54 2xdn h LEU 34 Cb 1.21 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 2xdn h LEU 34 CO 0.64 0.34 0.34 0.00 0.09 0.00 0.00 178.44 179.84 2xdn h ALA 35 N 1.44 1.73 -0.61 1.53 0.00 -1.95 0.45 119.26 121.85 2xdn h ALA 35 Ca 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2xdn h ALA 35 Cb 0.36 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2xdn h ALA 35 CO -0.25 0.22 0.35 -0.44 0.00 0.00 0.00 179.25 179.13 2xdn h ASP 36 N 0.60 0.74 -0.06 0.00 3.32 -1.43 -2.91 116.42 116.68 2xdn h ASP 36 Ca 0.20 -0.08 -0.23 0.00 0.02 0.00 0.00 57.03 56.95 2xdn h ASP 36 Cb 0.06 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.43 2xdn h ASP 36 CO -0.05 0.60 -0.83 0.40 -1.72 0.00 0.00 179.24 177.64 2xdn h ILE 37 N 0.82 1.29 0.09 0.35 2.04 0.27 -2.84 117.51 119.53 2xdn h ILE 37 Ca 0.22 -2.05 0.02 0.00 1.00 0.00 0.00 64.86 64.04 2xdn h ILE 37 Cb 0.01 2.08 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 2xdn h ILE 37 CO -0.04 0.64 -0.47 0.00 0.00 0.00 0.00 178.15 178.29 2xdn h ALA 38 N 0.58 -0.84 -0.32 1.87 0.00 -0.24 0.32 119.26 120.64 2xdn h ALA 38 Ca -0.06 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2xdn h ALA 38 Cb 1.45 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 19.98 2xdn h ALA 38 CO 0.16 -1.04 -0.40 0.93 0.00 0.00 0.00 179.25 178.91 2xdn h GLU 39 N -0.68 -0.25 -1.02 0.00 5.08 -1.55 0.51 114.58 116.66 2xdn h GLU 39 Ca 0.02 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 58.65 2xdn h GLU 39 Cb 0.71 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.93 2xdn h GLU 39 CO -0.28 -0.17 0.65 1.25 -1.00 0.00 0.00 179.01 179.46 2xdn h LEU 40 N -0.26 0.49 -0.10 1.33 5.85 -1.22 0.37 115.31 121.77 2xdn h LEU 40 Ca 0.06 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2xdn h LEU 40 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2xdn h LEU 40 CO -0.44 0.11 -0.03 0.00 -0.34 0.00 0.00 178.44 177.74 2xdn n ALA 41 N -2.45 2.62 -2.10 1.25 0.00 0.11 -4.90 120.51 115.03 2xdn n ALA 41 Ca 0.25 -0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 2xdn n ALA 41 Cb 0.82 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 2xdn n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xdn n GLY 42 N 1.21 0.35 3.77 0.00 0.00 0.13 -4.84 105.19 105.81 2xdn n GLY 42 Ca 0.17 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 2xdn n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2xdn s VAL 43 N -2.90 1.81 0.41 1.61 -7.23 -0.42 -5.01 120.40 108.68 2xdn s VAL 43 Ca 0.00 -1.76 -0.03 0.00 -1.81 0.00 0.00 61.98 58.39 2xdn s VAL 43 Cb 0.00 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2xdn s VAL 43 CO 0.00 0.00 0.67 0.28 -0.31 0.00 0.00 175.10 175.74 2xdn s THR 44 N -2.73 5.00 0.30 5.32 -1.32 -1.26 -4.00 115.64 116.95 2xdn s THR 44 Ca 0.29 -0.10 0.15 0.00 -1.21 0.00 0.00 61.69 60.83 2xdn s THR 44 Cb 0.02 -3.86 0.09 0.00 -1.51 0.00 0.00 72.50 67.25 2xdn s THR 44 CO 0.17 -0.70 1.78 0.03 -2.21 0.00 0.00 174.62 173.68 2xdn h ARG 45 N 0.52 0.00 0.17 7.08 3.08 -1.95 -1.51 114.38 121.76 2xdn h ARG 45 Ca -0.48 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 2xdn h ARG 45 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 2xdn h ARG 45 CO 0.62 0.41 -0.12 0.78 -1.07 0.00 0.00 179.97 180.58 2xdn h GLY 46 N 1.50 -0.29 0.49 0.04 0.00 -1.98 -1.92 103.07 100.92 2xdn h GLY 46 Ca -0.00 0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.47 2xdn h GLY 46 CO 0.05 -0.13 -0.38 0.00 0.00 0.00 0.00 176.54 176.09 2xdn h ALA 47 N 0.52 -0.75 -0.70 3.60 0.00 -1.78 -1.28 119.26 118.87 2xdn h ALA 47 Ca -0.01 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.88 2xdn h ALA 47 Cb 0.26 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2xdn h ALA 47 CO -0.00 -0.97 0.36 0.97 0.00 0.00 0.00 179.25 179.61 2xdn h ILE 48 N -0.70 0.89 0.00 0.00 2.10 -1.28 0.15 117.51 118.67 2xdn h ILE 48 Ca -0.00 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.72 2xdn h ILE 48 Cb 0.67 0.20 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 2xdn h ILE 48 CO -0.13 0.12 0.00 -1.22 -1.08 0.00 0.00 178.15 175.83 2xdn n TYR 49 N -4.83 0.13 -0.02 2.19 4.02 -0.73 0.11 117.16 118.03 2xdn n TYR 49 Ca 0.10 0.05 -0.12 0.00 -0.01 0.00 0.00 57.90 57.93 2xdn n TYR 49 Cb 0.24 -0.58 -0.10 0.00 -0.02 0.00 0.00 39.34 38.88 2xdn n TYR 49 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 2xdn h TRP 50 N 0.00 -0.06 -0.02 -0.72 7.01 0.23 -3.36 115.95 119.03 2xdn h TRP 50 Ca 0.00 -0.00 -0.18 0.00 2.11 0.00 0.00 58.89 60.82 2xdn h TRP 50 Cb 0.34 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 2xdn h TRP 50 CO 0.00 0.59 -0.78 0.45 -2.79 0.00 0.00 178.44 175.90 2xdn h HIS 51 N -0.86 0.32 -3.24 2.65 3.86 -0.79 -3.44 115.15 113.65 2xdn h HIS 51 Ca -0.01 -0.16 -0.46 0.00 -1.16 0.00 0.00 60.37 58.59 2xdn h HIS 51 Cb 0.67 -0.04 -0.39 0.00 1.06 0.00 0.00 27.41 28.71 2xdn h HIS 51 CO 0.16 0.92 -0.76 -0.06 0.86 0.00 0.00 177.93 179.05 2xdn s PHE 52 N -3.41 0.68 0.26 2.45 0.40 0.12 -5.02 117.98 113.46 2xdn s PHE 52 Ca -0.03 -0.34 -0.04 0.00 -0.60 0.00 0.00 56.93 55.92 2xdn s PHE 52 Cb 0.11 -0.83 0.31 0.00 0.51 0.00 0.00 43.02 43.12 2xdn s PHE 52 CO 0.82 -0.41 1.82 -0.91 0.70 0.00 0.00 175.22 177.24 2xdn h ASN 53 N 8.32 0.91 -5.13 1.36 2.35 -1.83 -3.36 115.58 118.20 2xdn h ASN 53 Ca -0.18 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 2xdn h ASN 53 Cb 1.13 -0.24 -0.08 0.00 0.05 0.00 0.00 38.32 39.18 2xdn h ASN 53 CO 0.28 0.84 0.03 0.54 -1.65 0.00 0.00 177.43 177.46 2xdn s ASN 54 N -6.49 -0.18 0.29 5.81 2.20 -1.26 -5.03 114.94 110.28 2xdn s ASN 54 Ca -0.11 -0.72 0.01 0.00 -0.94 0.00 0.00 52.86 51.10 2xdn s ASN 54 Cb 0.16 0.63 0.54 0.00 -2.00 0.00 0.00 41.25 40.58 2xdn s ASN 54 CO 0.81 -1.19 1.87 0.11 -2.94 0.00 0.00 177.10 175.77 2xdn h LYS 55 N 2.16 0.98 -0.90 3.55 1.57 -1.95 -2.66 116.57 119.32 2xdn h LYS 55 Ca -0.24 -0.06 0.17 0.00 -1.87 0.00 0.00 60.65 58.65 2xdn h LYS 55 Cb 1.25 -0.22 -0.07 0.00 0.08 0.00 0.00 32.23 33.27 2xdn h LYS 55 CO 0.32 0.65 0.58 0.00 -0.57 0.00 0.00 179.45 180.43 2xdn h ALA 56 N 1.52 1.98 -0.52 3.86 0.00 -1.97 0.37 119.26 124.51 2xdn h ALA 56 Ca 0.44 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.26 2xdn h ALA 56 Cb 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2xdn h ALA 56 CO -0.20 -0.25 -0.12 0.93 0.00 0.00 0.00 179.25 179.61 2xdn h GLU 57 N 0.57 1.00 0.37 0.00 5.08 -1.90 -1.01 114.58 118.69 2xdn h GLU 57 Ca 0.47 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2xdn h GLU 57 Cb 0.93 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2xdn h GLU 57 CO -0.21 1.06 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.61 2xdn h LEU 58 N 0.87 -0.43 -0.43 1.33 3.38 -0.39 0.75 115.31 120.40 2xdn h LEU 58 Ca 0.13 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2xdn h LEU 58 Cb 0.69 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 2xdn h LEU 58 CO 0.05 -0.26 -0.09 0.58 0.09 0.00 0.00 178.44 178.81 2xdn h VAL 59 N -0.56 0.58 -0.95 1.22 2.07 -0.86 -0.70 116.25 117.05 2xdn h VAL 59 Ca -0.05 -0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.59 2xdn h VAL 59 Cb 0.42 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.68 2xdn h VAL 59 CO 0.08 0.00 0.61 -0.61 0.02 0.00 0.00 177.57 177.67 2xdn h GLN 60 N 0.01 0.87 -0.16 1.57 5.75 -0.96 -0.54 115.11 121.64 2xdn h GLN 60 Ca 0.21 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.68 2xdn h GLN 60 Cb 0.31 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 2xdn h GLN 60 CO -0.43 0.57 -0.01 0.00 -2.65 0.00 0.00 178.83 176.31 2xdn h ALA 61 N 1.56 0.13 -0.43 3.38 0.00 0.61 0.11 119.26 124.62 2xdn h ALA 61 Ca 0.47 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 2xdn h ALA 61 Cb 0.54 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2xdn h ALA 61 CO -0.23 -0.45 0.20 -0.07 0.00 0.00 0.00 179.25 178.69 2xdn h LEU 62 N 0.04 0.58 0.49 0.00 3.38 -0.37 -2.55 115.31 116.87 2xdn h LEU 62 Ca 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2xdn h LEU 62 Cb 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2xdn h LEU 62 CO -0.14 0.56 -0.50 0.25 0.09 0.00 0.00 178.44 178.70 2xdn h LEU 63 N 0.56 -1.38 -1.44 1.67 6.46 -0.94 -2.56 115.31 117.68 2xdn h LEU 63 Ca 0.15 0.11 0.30 0.00 -0.12 0.00 0.00 57.88 58.32 2xdn h LEU 63 Cb 0.15 0.46 -0.09 0.00 -0.73 0.00 0.00 40.66 40.44 2xdn h LEU 63 CO -0.02 -0.66 0.72 0.44 -0.62 0.00 0.00 178.44 178.30 2xdn h ASP 64 N -0.99 0.36 0.62 1.25 3.32 -0.77 -2.26 116.42 117.95 2xdn h ASP 64 Ca -0.06 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2xdn h ASP 64 Cb 0.87 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2xdn h ASP 64 CO -0.07 0.03 0.00 -1.54 -1.72 0.00 0.00 179.24 175.94 2xdn n SER 65 N -4.59 0.50 0.01 6.45 3.41 -0.97 -2.98 113.62 115.45 2xdn n SER 65 Ca 0.27 0.63 -0.09 0.00 -0.26 0.00 0.00 58.87 59.42 2xdn n SER 65 Cb 1.01 -0.73 0.06 0.00 -0.26 0.00 0.00 64.21 64.29 2xdn n SER 65 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2xdn h LEU 66 N 0.00 0.60 -0.69 1.04 3.38 -1.47 -3.27 115.31 114.89 2xdn h LEU 66 Ca 0.00 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 2xdn h LEU 66 Cb 0.31 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2xdn h LEU 66 CO 0.00 1.03 0.06 0.00 0.09 0.00 0.00 178.44 179.62 2xdn h ALA 67 N 0.98 0.91 -0.65 1.53 0.00 -1.73 -3.34 119.26 116.95 2xdn h ALA 67 Ca 0.01 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.69 2xdn h ALA 67 Cb 1.10 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 2xdn h ALA 67 CO 0.10 0.66 -0.38 -0.85 0.00 0.00 0.00 179.25 178.78 2xdn n GLU 68 N -4.20 -0.29 -0.06 0.00 0.00 -1.24 -1.08 120.64 113.78 2xdn n GLU 68 Ca 0.04 1.26 0.24 0.00 0.00 0.00 0.00 57.16 58.70 2xdn n GLU 68 Cb 0.31 -1.86 0.72 0.00 0.00 0.00 0.00 31.44 30.62 2xdn n GLU 68 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2xdn h THR 69 N 0.00 0.54 -0.02 3.84 2.02 -1.82 -2.18 112.91 115.29 2xdn h THR 69 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2xdn h THR 69 Cb 0.27 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2xdn h THR 69 CO -0.61 0.00 -0.04 1.41 0.37 0.00 0.00 175.52 176.65 2xdn n HIS 70 N -4.13 0.00 -0.14 3.16 8.25 -0.25 -4.64 115.22 117.47 2xdn n HIS 70 Ca 0.13 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.55 2xdn n HIS 70 Cb 0.79 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.92 2xdn n HIS 70 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2xdn h ASP 71 N 3.68 -0.55 0.13 0.41 1.82 -1.18 -1.13 116.42 119.60 2xdn h ASP 71 Ca 0.00 0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 2xdn h ASP 71 Cb 0.80 0.33 0.00 0.00 0.68 0.00 0.00 39.33 41.14 2xdn h ASP 71 CO 0.00 -0.19 -0.06 -0.74 -1.61 0.00 0.00 179.24 176.64 2xdn h HIS 72 N -0.05 -0.16 0.00 0.28 2.76 -1.82 -0.81 115.15 115.34 2xdn h HIS 72 Ca 0.22 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 2xdn h HIS 72 Cb 0.39 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 2xdn h HIS 72 CO -0.43 -0.03 -0.17 -0.07 -1.30 0.00 0.00 177.93 175.93 2xdn h LEU 73 N -0.25 0.00 0.03 0.26 3.38 -1.83 -0.08 115.31 116.82 2xdn h LEU 73 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2xdn h LEU 73 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2xdn h LEU 73 CO 0.03 0.17 -0.30 0.00 0.09 0.00 0.00 178.44 178.43 2xdn h ALA 74 N 1.83 -0.01 -0.63 1.53 0.00 -1.06 -2.98 119.26 117.94 2xdn h ALA 74 Ca -0.00 -0.53 0.10 0.00 0.00 0.00 0.00 54.91 54.48 2xdn h ALA 74 Cb 0.30 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2xdn h ALA 74 CO 0.02 0.12 0.42 0.07 0.00 0.00 0.00 179.25 179.89 2xdn h ARG 75 N -0.64 0.44 -0.15 0.00 -0.00 -1.01 -2.13 114.38 110.88 2xdn h ARG 75 Ca -0.05 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 59.90 2xdn h ARG 75 Cb 1.15 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.97 31.01 2xdn h ARG 75 CO 0.06 0.29 0.08 0.00 -0.00 0.00 0.00 179.97 180.39 2xdn h ALA 76 N 1.68 0.20 0.00 0.08 0.00 -1.02 -2.79 119.26 117.41 2xdn h ALA 76 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2xdn h ALA 76 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2xdn h ALA 76 CO -0.09 -0.24 0.00 0.66 0.00 0.00 0.00 179.25 179.58 2xdn h SER 77 N 0.13 0.00 -0.00 0.00 4.64 -1.31 -2.85 113.55 114.15 2xdn h SER 77 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2xdn h SER 77 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2xdn h SER 77 CO -0.01 0.00 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.31 2xdn n GLU 78 N -2.49 1.77 -3.23 4.77 1.02 -0.84 -3.94 120.64 117.70 2xdn n GLU 78 Ca 0.03 -1.17 -0.41 0.00 -0.02 0.00 0.00 57.16 55.59 2xdn n GLU 78 Cb 0.35 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 2xdn n GLU 78 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2xdn s SER 79 N -2.04 6.33 0.60 1.62 0.01 -1.07 -4.85 113.70 114.29 2xdn s SER 79 Ca 0.34 -0.01 0.29 0.00 1.31 0.00 0.00 55.95 57.89 2xdn s SER 79 Cb 0.21 -2.27 1.64 0.00 0.21 0.00 0.00 66.02 65.80 2xdn s SER 79 CO 0.34 -0.49 2.05 -0.33 0.41 0.00 0.00 173.24 175.22 2xdn h GLU 80 N 8.45 0.00 -0.00 12.44 5.08 -1.88 -0.44 114.58 138.23 2xdn h GLU 80 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2xdn h GLU 80 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2xdn h GLU 80 CO 0.78 0.00 -0.15 -0.25 -1.00 0.00 0.00 179.01 178.39 2xdn n ASP 81 N -3.68 0.20 -4.69 1.42 9.92 -1.26 -4.83 116.55 113.64 2xdn n ASP 81 Ca 0.03 0.09 -0.42 0.00 -0.53 0.00 0.00 54.79 53.95 2xdn n ASP 81 Cb 0.40 -0.22 -0.03 0.00 -0.64 0.00 0.00 41.12 40.63 2xdn n ASP 81 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2xdn s GLU 82 N -2.88 4.40 0.24 -1.24 2.56 -0.18 -4.95 118.70 116.65 2xdn s GLU 82 Ca 0.17 1.46 0.04 0.00 0.00 0.00 0.00 54.97 56.64 2xdn s GLU 82 Cb 0.19 -3.55 0.26 0.00 2.00 0.00 0.00 34.13 33.03 2xdn s GLU 82 CO 0.56 -0.36 1.57 0.28 -0.56 0.00 0.00 175.26 176.76 2xdn h VAL 83 N 5.08 1.37 -2.28 3.70 2.07 -1.88 -3.32 116.25 121.00 2xdn h VAL 83 Ca -0.31 -1.89 -0.59 0.00 0.82 0.00 0.00 66.70 64.72 2xdn h VAL 83 Cb 1.15 1.93 -0.42 0.00 -1.52 0.00 0.00 31.29 32.43 2xdn h VAL 83 CO 0.86 0.56 -0.61 -0.67 0.02 0.00 0.00 177.57 177.73 2xdn n ASP 84 N -3.91 4.42 0.13 0.57 2.03 -1.26 -4.85 116.55 113.68 2xdn n ASP 84 Ca -0.02 -3.65 0.08 0.00 0.52 0.00 0.00 54.79 51.71 2xdn n ASP 84 Cb 0.60 -0.58 0.56 0.00 -0.72 0.00 0.00 41.12 40.97 2xdn n ASP 84 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2xdn h PRO 85 N 3.17 0.21 0.01 -0.67 0.13 -1.88 -1.12 132.00 131.85 2xdn h PRO 85 Ca 0.14 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 65.06 2xdn h PRO 85 Cb 0.52 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2xdn h PRO 85 CO 0.83 0.14 -0.91 1.25 -0.23 0.00 0.00 178.00 179.08 2xdn h LEU 86 N 0.21 0.23 -0.49 1.56 6.46 -1.89 -1.63 115.31 119.76 2xdn h LEU 86 Ca 0.09 -0.19 -0.16 0.00 -0.12 0.00 0.00 57.88 57.50 2xdn h LEU 86 Cb 0.10 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 2xdn h LEU 86 CO -0.02 1.02 -0.75 1.23 -0.62 0.00 0.00 178.44 179.30 2xdn h GLY 87 N 1.97 0.00 1.02 3.75 0.00 -1.76 -2.24 103.07 105.80 2xdn h GLY 87 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 2xdn h GLY 87 CO 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.63 2xdn h MET 89 N 0.72 0.96 -0.43 0.00 -1.53 -1.24 0.40 114.93 113.81 2xdn h MET 89 Ca 0.13 -0.30 0.01 0.00 -3.44 0.00 0.00 59.70 56.10 2xdn h MET 89 Cb 0.57 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.51 2xdn h MET 89 CO 0.03 0.96 0.28 -0.09 0.14 0.00 0.00 176.91 178.24 2xdn h ARG 90 N 0.87 0.55 0.00 0.39 2.43 -1.35 -0.47 114.38 116.80 2xdn h ARG 90 Ca 0.15 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2xdn h ARG 90 Cb 0.56 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2xdn h ARG 90 CO 0.03 0.36 -0.48 -0.22 -1.51 0.00 0.00 179.97 178.16 2xdn h LYS 91 N 0.56 0.00 -0.22 0.20 3.64 -0.68 -1.10 116.57 118.98 2xdn h LYS 91 Ca 0.16 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.37 2xdn h LYS 91 Cb -0.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2xdn h LYS 91 CO -0.05 0.48 -0.55 1.25 -2.27 0.00 0.00 179.45 178.31 2xdn h LEU 92 N 0.00 0.74 -0.29 5.20 6.46 0.04 -1.31 115.31 126.15 2xdn h LEU 92 Ca -0.00 -0.39 -0.20 0.00 -0.12 0.00 0.00 57.88 57.16 2xdn h LEU 92 Cb 0.95 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 2xdn h LEU 92 CO 0.06 1.14 -0.73 -0.07 -0.62 0.00 0.00 178.44 178.22 2xdn h LEU 93 N 0.51 0.75 -0.43 2.25 3.38 -0.76 0.20 115.31 121.20 2xdn h LEU 93 Ca 0.01 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.52 2xdn h LEU 93 Cb 1.12 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2xdn h LEU 93 CO 0.11 1.25 0.27 -0.07 0.09 0.00 0.00 178.44 180.08 2xdn h LEU 94 N 0.44 0.44 -0.11 1.67 3.38 -1.20 -0.08 115.31 119.86 2xdn h LEU 94 Ca -0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2xdn h LEU 94 Cb 1.33 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2xdn h LEU 94 CO 0.14 0.32 0.05 -0.61 0.09 0.00 0.00 178.44 178.43 2xdn h GLN 95 N 0.54 0.15 -0.78 1.13 4.15 -1.02 0.34 115.11 119.63 2xdn h GLN 95 Ca 0.16 -0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.70 2xdn h GLN 95 Cb -0.02 -0.03 -0.09 0.00 0.21 0.00 0.00 27.48 27.55 2xdn h GLN 95 CO -0.06 0.22 0.36 0.28 -1.93 0.00 0.00 178.83 177.70 2xdn h VAL 96 N 0.04 0.71 -0.04 2.39 2.07 -0.35 -1.13 116.25 119.95 2xdn h VAL 96 Ca 0.04 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 2xdn h VAL 96 Cb 0.12 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2xdn h VAL 96 CO -0.00 0.10 -0.48 -0.26 0.02 0.00 0.00 177.57 176.94 2xdn h PHE 97 N 0.53 0.56 -0.60 1.57 0.04 -0.41 -2.80 116.94 115.83 2xdn h PHE 97 Ca 0.42 -0.28 0.12 0.00 2.80 0.00 0.00 57.97 61.04 2xdn h PHE 97 Cb 0.60 -0.07 -0.10 0.00 2.20 0.00 0.00 35.95 38.57 2xdn h PHE 97 CO -0.13 1.07 0.01 -0.91 -0.60 0.00 0.00 178.31 177.75 2xdn h ASN 98 N -0.10 -0.25 -0.34 2.17 2.35 -0.09 -2.04 115.58 117.27 2xdn h ASN 98 Ca -0.05 0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2xdn h ASN 98 Cb 1.17 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.78 2xdn h ASN 98 CO 0.10 -0.10 0.08 -0.08 -1.65 0.00 0.00 177.43 175.78 2xdn h GLU 99 N 0.13 0.55 -0.37 0.81 4.81 -1.20 -0.04 114.58 119.27 2xdn h GLU 99 Ca 0.32 -0.14 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 2xdn h GLU 99 Cb 0.51 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.73 2xdn h GLU 99 CO -0.51 0.61 -0.16 1.25 -0.73 0.00 0.00 179.01 179.47 2xdn h LEU 100 N 0.40 -0.55 -0.36 1.64 7.12 -1.28 0.28 115.31 122.56 2xdn h LEU 100 Ca 0.11 0.14 -0.03 0.00 0.13 0.00 0.00 57.88 58.23 2xdn h LEU 100 Cb 0.31 0.31 -0.02 0.00 -0.53 0.00 0.00 40.66 40.73 2xdn h LEU 100 CO 0.00 -0.19 0.12 0.58 -0.13 0.00 0.00 178.44 178.82 2xdn h VAL 101 N -0.09 1.21 0.06 1.05 2.07 -1.02 -3.38 116.25 116.15 2xdn h VAL 101 Ca 0.19 -0.67 -0.23 0.00 0.82 0.00 0.00 66.70 66.81 2xdn h VAL 101 Cb 0.37 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2xdn h VAL 101 CO -0.43 0.23 -1.19 -0.07 0.02 0.00 0.00 177.57 176.13 2xdn h LEU 102 N 0.44 0.20 -8.73 2.57 3.38 -0.70 -3.46 115.31 109.00 2xdn h LEU 102 Ca 0.12 -0.76 -0.57 0.00 0.09 0.00 0.00 57.88 56.75 2xdn h LEU 102 Cb 0.24 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 2xdn h LEU 102 CO -0.00 1.50 0.82 -0.62 0.09 0.00 0.00 178.44 180.23 2xdn s ASP 103 N -6.86 6.63 0.30 -0.43 2.15 0.95 -4.90 116.67 114.51 2xdn s ASP 103 Ca -0.23 0.44 0.05 0.00 0.43 0.00 0.00 52.55 53.24 2xdn s ASP 103 Cb 0.04 -2.52 0.74 0.00 -0.30 0.00 0.00 42.92 40.87 2xdn s ASP 103 CO 0.70 -1.16 1.74 0.00 -0.17 0.00 0.00 175.17 176.28 2xdn h ALA 104 N 9.06 1.56 0.42 3.66 0.00 -1.88 -0.45 119.26 131.63 2xdn h ALA 104 Ca -0.23 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2xdn h ALA 104 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2xdn h ALA 104 CO 1.09 -0.20 -0.20 -0.09 0.00 0.00 0.00 179.25 179.84 2xdn h ARG 105 N 0.58 -0.55 -0.82 0.00 9.65 -1.93 0.65 114.38 121.97 2xdn h ARG 105 Ca 0.57 0.04 0.16 0.00 -1.10 0.00 0.00 59.98 59.65 2xdn h ARG 105 Cb 0.99 0.12 -0.10 0.00 -1.39 0.00 0.00 29.97 29.59 2xdn h ARG 105 CO -0.45 -0.36 0.35 1.15 2.80 0.00 0.00 179.97 183.46 2xdn h THR 106 N -0.69 0.62 0.18 0.20 2.02 -1.84 0.65 112.91 114.05 2xdn h THR 106 Ca -0.06 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2xdn h THR 106 Cb 0.43 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2xdn h THR 106 CO 0.10 0.09 -0.11 -0.09 0.37 0.00 0.00 175.52 175.87 2xdn h ARG 107 N 0.47 -0.27 -0.93 6.66 2.43 -1.00 -1.25 114.38 120.50 2xdn h ARG 107 Ca 0.46 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.71 2xdn h ARG 107 Cb 0.75 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.30 2xdn h ARG 107 CO -0.43 -0.18 0.60 0.00 -1.51 0.00 0.00 179.97 178.46 2xdn h ARG 108 N -0.28 1.07 -0.04 0.20 3.08 0.23 0.48 114.38 119.11 2xdn h ARG 108 Ca -0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2xdn h ARG 108 Cb 0.23 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2xdn h ARG 108 CO 0.02 0.71 -0.01 0.82 -1.07 0.00 0.00 179.97 180.43 2xdn h ILE 109 N 1.10 1.30 -0.26 2.04 2.04 -0.77 -0.09 117.51 122.88 2xdn h ILE 109 Ca 0.39 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 65.34 2xdn h ILE 109 Cb 0.13 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 2xdn h ILE 109 CO -0.14 0.25 0.05 0.78 0.00 0.00 0.00 178.15 179.10 2xdn h ASN 110 N -0.28 0.01 -0.57 1.72 4.21 -0.95 0.13 115.58 119.85 2xdn h ASN 110 Ca 0.01 0.04 0.11 0.00 1.21 0.00 0.00 56.30 57.67 2xdn h ASN 110 Cb 0.41 0.05 -0.09 0.00 -1.12 0.00 0.00 38.32 37.58 2xdn h ASN 110 CO 0.00 0.04 0.05 -0.08 -1.29 0.00 0.00 177.43 176.16 2xdn h GLU 111 N 0.15 0.16 -0.15 0.81 4.57 -0.91 0.25 114.58 119.47 2xdn h GLU 111 Ca 0.12 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2xdn h GLU 111 Cb 0.12 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2xdn h GLU 111 CO -0.16 0.11 0.08 0.82 -1.18 0.00 0.00 179.01 178.69 2xdn h ILE 112 N 0.17 1.08 -0.73 2.32 2.04 -0.31 0.94 117.51 123.03 2xdn h ILE 112 Ca 0.30 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.97 2xdn h ILE 112 Cb 0.46 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2xdn h ILE 112 CO -0.44 0.07 0.47 -0.07 0.00 0.00 0.00 178.15 178.18 2xdn h LEU 113 N 0.15 0.80 0.00 1.44 3.38 -0.07 -1.73 115.31 119.27 2xdn h LEU 113 Ca 0.05 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2xdn h LEU 113 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2xdn h LEU 113 CO -0.01 0.56 -0.32 0.45 0.09 0.00 0.00 178.44 179.22 2xdn h HIS 114 N 0.94 0.00 -0.01 1.13 3.86 -0.44 -3.41 115.15 117.22 2xdn h HIS 114 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2xdn h HIS 114 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2xdn h HIS 114 CO -0.03 1.06 -0.46 0.72 0.86 0.00 0.00 177.93 180.09 2xdn n HIS 115 N -4.57 0.00 -1.71 2.45 8.25 0.32 -4.70 115.22 115.25 2xdn n HIS 115 Ca -0.15 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.33 2xdn n HIS 115 Cb 0.50 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.65 2xdn n HIS 115 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2xdn n LYS 116 N -0.55 0.34 -3.50 -0.41 5.02 -0.68 -5.01 118.16 113.37 2xdn n LYS 116 Ca 0.05 -1.34 -0.19 0.00 -2.02 0.00 0.00 58.31 54.82 2xdn n LYS 116 Cb 0.30 -0.73 -0.13 0.00 -0.02 0.00 0.00 35.03 34.44 2xdn n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2xdn s GLU 118 N 2.31 4.40 -0.84 0.00 2.02 -1.26 -4.94 118.70 120.40 2xdn s GLU 118 Ca 0.07 0.99 -0.23 0.00 0.02 0.00 0.00 54.97 55.82 2xdn s GLU 118 Cb -0.16 -3.14 0.07 0.00 0.10 0.00 0.00 34.13 31.01 2xdn s GLU 118 CO -0.13 0.53 1.19 -0.06 0.02 0.00 0.00 175.26 176.81 2xdn s PHE 119 N -1.26 2.68 -0.09 1.61 2.99 -1.26 -4.84 117.98 117.80 2xdn s PHE 119 Ca 0.37 -0.75 0.04 0.00 0.00 0.00 0.00 56.93 56.59 2xdn s PHE 119 Cb -0.20 -4.46 0.00 0.00 0.00 0.00 0.00 43.02 38.36 2xdn s PHE 119 CO 0.23 -1.77 -0.22 0.95 -0.00 0.00 0.00 175.22 174.42 2xdn s THR 120 N 4.26 1.86 -1.92 0.64 -4.23 -1.26 -4.98 115.64 110.01 2xdn s THR 120 Ca 0.33 -0.91 0.14 0.00 -1.18 0.00 0.00 61.69 60.07 2xdn s THR 120 Cb -0.08 -1.61 0.36 0.00 1.34 0.00 0.00 72.50 72.51 2xdn s THR 120 CO 0.01 0.52 1.25 -0.90 -0.54 0.00 0.00 174.62 174.95 2xdn n ASP 121 N 3.53 0.00 0.00 3.99 3.85 -1.26 0.26 116.55 126.92 2xdn n ASP 121 Ca -0.20 -0.35 0.12 0.00 -0.71 0.00 0.00 54.79 53.65 2xdn n ASP 121 Cb 0.53 -0.04 0.57 0.00 -1.35 0.00 0.00 41.12 40.83 2xdn n ASP 121 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 2xdn n ASP 122 N -1.04 0.00 -2.74 -1.12 3.85 -1.26 -3.51 116.55 110.73 2xdn n ASP 122 Ca 0.10 0.21 -0.03 0.00 -0.71 0.00 0.00 54.79 54.35 2xdn n ASP 122 Cb 0.05 -0.39 0.08 0.00 -1.35 0.00 0.00 41.12 39.51 2xdn n ASP 122 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 2xdn n MET 123 N -1.39 1.45 0.33 0.11 2.81 0.74 -5.00 117.12 116.17 2xdn n MET 123 Ca 0.09 -2.58 0.14 0.00 -1.81 0.00 0.00 57.70 53.54 2xdn n MET 123 Cb 0.24 -0.75 0.73 0.00 -0.71 0.00 0.00 33.22 32.73 2xdn n MET 123 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2xdn h GLU 125 N 0.00 0.09 0.19 0.00 5.08 -1.92 -1.60 114.58 116.42 2xdn h GLU 125 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2xdn h GLU 125 Cb 0.81 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2xdn h GLU 125 CO -0.00 0.20 -0.21 0.82 -1.00 0.00 0.00 179.01 178.82 2xdn h ILE 126 N 0.09 0.00 -0.33 3.13 2.04 -1.36 0.14 117.51 121.22 2xdn h ILE 126 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2xdn h ILE 126 Cb 0.24 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 2xdn h ILE 126 CO 0.01 0.00 0.03 -0.09 0.00 0.00 0.00 178.15 178.11 2xdn h ARG 127 N -0.40 0.13 -0.52 2.37 2.43 -1.71 -1.41 114.38 115.26 2xdn h ARG 127 Ca -0.02 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2xdn h ARG 127 Cb 0.35 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 2xdn h ARG 127 CO -0.03 0.09 0.35 1.96 -1.51 0.00 0.00 179.97 180.82 2xdn h GLN 128 N 0.13 0.53 0.00 0.20 4.20 -1.24 -0.04 115.11 118.90 2xdn h GLN 128 Ca 0.16 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.70 2xdn h GLN 128 Cb 0.19 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2xdn h GLN 128 CO -0.23 0.35 -0.66 1.96 -0.67 0.00 0.00 178.83 179.58 2xdn h GLN 129 N 0.55 0.00 0.07 1.46 4.20 0.05 -2.76 115.11 118.68 2xdn h GLN 129 Ca 0.22 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.68 2xdn h GLN 129 Cb 0.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2xdn h GLN 129 CO -0.06 0.66 -1.10 -0.09 -0.67 0.00 0.00 178.83 177.57 2xdn h ARG 130 N 0.00 0.28 -0.56 1.46 9.65 -0.44 -3.05 114.38 121.72 2xdn h ARG 130 Ca -0.01 -0.40 0.08 0.00 -1.10 0.00 0.00 59.98 58.56 2xdn h ARG 130 Cb 1.41 0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 30.06 2xdn h ARG 130 CO 0.09 1.14 0.21 1.96 2.80 0.00 0.00 179.97 186.16 2xdn h GLN 131 N 0.11 0.38 -0.24 0.20 4.20 -0.96 -1.83 115.11 116.98 2xdn h GLN 131 Ca -0.10 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 2xdn h GLN 131 Cb 1.79 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.48 2xdn h GLN 131 CO 0.18 0.25 0.08 1.03 -0.67 0.00 0.00 178.83 179.70 2xdn h SER 132 N 0.39 0.34 -0.20 1.46 0.87 -1.55 -0.56 113.55 114.29 2xdn h SER 132 Ca 0.28 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 2xdn h SER 132 Cb 0.31 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2xdn h SER 132 CO -0.27 0.44 0.04 0.00 -0.53 0.00 0.00 176.83 176.51 2xdn h ALA 133 N 0.91 1.53 -0.07 6.23 0.00 -1.40 0.06 119.26 126.52 2xdn h ALA 133 Ca 0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2xdn h ALA 133 Cb 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2xdn h ALA 133 CO -0.00 0.35 -0.25 0.28 0.00 0.00 0.00 179.25 179.63 2xdn h VAL 134 N 0.42 1.43 -0.28 0.00 2.07 -1.14 0.13 116.25 118.88 2xdn h VAL 134 Ca 0.10 -1.64 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 2xdn h VAL 134 Cb 0.21 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 2xdn h VAL 134 CO 0.00 0.47 -0.09 -0.07 0.02 0.00 0.00 177.57 177.89 2xdn h LEU 135 N -0.21 0.44 0.21 2.57 3.38 -1.01 0.17 115.31 120.86 2xdn h LEU 135 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2xdn h LEU 135 Cb 0.88 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2xdn h LEU 135 CO 0.05 0.58 -0.10 0.44 0.09 0.00 0.00 178.44 179.50 2xdn h ASP 136 N 0.43 -0.24 -0.95 -0.43 5.19 -1.02 -2.79 116.42 116.61 2xdn h ASP 136 Ca 0.09 -0.28 0.24 0.00 -0.62 0.00 0.00 57.03 56.46 2xdn h ASP 136 Cb 0.43 0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.94 2xdn h ASP 136 CO 0.02 0.21 0.64 0.00 -3.12 0.00 0.00 179.24 176.99 2xdn h HIS 138 N 0.27 0.86 0.00 0.00 -0.00 -0.60 -1.69 115.15 113.99 2xdn h HIS 138 Ca 0.49 -0.23 -0.05 0.00 -0.00 0.00 0.00 60.37 60.58 2xdn h HIS 138 Cb 1.46 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.67 2xdn h HIS 138 CO -0.00 0.97 -0.25 0.87 -0.00 0.00 0.00 177.93 179.51 2xdn h LYS 139 N 0.50 0.00 -0.08 5.26 1.57 -0.98 -1.15 116.57 121.69 2xdn h LYS 139 Ca 0.07 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 2xdn h LYS 139 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 2xdn h LYS 139 CO 0.06 0.25 -0.72 0.78 -0.57 0.00 0.00 179.45 179.25 2xdn h GLY 140 N 0.86 0.45 1.09 3.86 0.00 -1.19 -2.51 103.07 105.62 2xdn h GLY 140 Ca -0.00 -0.63 -0.19 0.00 0.00 0.00 0.00 47.33 46.51 2xdn h GLY 140 CO 0.03 0.56 -0.60 -2.22 0.00 0.00 0.00 176.54 174.32 2xdn h ILE 141 N 0.28 1.29 -0.36 2.60 2.04 -1.01 -2.75 117.51 119.61 2xdn h ILE 141 Ca -0.03 -1.81 -0.08 0.00 1.00 0.00 0.00 64.86 63.94 2xdn h ILE 141 Cb 1.29 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 39.22 2xdn h ILE 141 CO 0.12 0.57 -0.12 0.74 0.00 0.00 0.00 178.15 179.47 2xdn h THR 142 N 0.49 1.25 -0.18 -0.27 2.02 -1.23 -1.16 112.91 113.83 2xdn h THR 142 Ca -0.02 -1.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.03 2xdn h THR 142 Cb 1.22 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 2xdn h THR 142 CO 0.13 0.37 -0.00 -0.07 0.37 0.00 0.00 175.52 176.31 2xdn h LEU 143 N 0.57 0.31 -1.28 2.58 3.38 -1.49 0.26 115.31 119.64 2xdn h LEU 143 Ca 0.10 -0.31 0.17 0.00 0.09 0.00 0.00 57.88 57.93 2xdn h LEU 143 Cb 0.55 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 2xdn h LEU 143 CO 0.03 0.55 0.60 0.00 0.09 0.00 0.00 178.44 179.71 2xdn h ALA 144 N 0.77 1.90 0.00 1.53 0.00 -1.15 -1.65 119.26 120.67 2xdn h ALA 144 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2xdn h ALA 144 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2xdn h ALA 144 CO 0.01 -0.19 -0.00 -0.07 0.00 0.00 0.00 179.25 179.00 2xdn h LEU 145 N 0.63 -0.00 -0.71 0.00 3.38 -0.76 -2.61 115.31 115.25 2xdn h LEU 145 Ca 0.49 -0.89 0.13 0.00 0.09 0.00 0.00 57.88 57.70 2xdn h LEU 145 Cb 0.90 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 2xdn h LEU 145 CO -0.24 0.93 0.24 0.00 0.09 0.00 0.00 178.44 179.46 2xdn h ALA 146 N -0.03 0.95 0.45 1.53 0.00 -0.31 0.49 119.26 122.33 2xdn h ALA 146 Ca -0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2xdn h ALA 146 Cb 0.90 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2xdn h ALA 146 CO 0.00 -0.24 -0.38 -0.91 0.00 0.00 0.00 179.25 177.72 2xdn h ASN 147 N 0.38 -1.00 -0.03 0.00 2.35 -1.39 -2.50 115.58 113.39 2xdn h ASN 147 Ca 0.38 0.08 0.01 0.00 -0.55 0.00 0.00 56.30 56.22 2xdn h ASN 147 Cb 0.58 0.32 -0.00 0.00 0.05 0.00 0.00 38.32 39.27 2xdn h ASN 147 CO -0.41 -0.54 0.03 0.00 -1.65 0.00 0.00 177.43 174.86 2xdn h ALA 148 N -0.45 1.80 0.00 -0.83 0.00 -0.84 0.66 119.26 119.59 2xdn h ALA 148 Ca -0.04 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2xdn h ALA 148 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2xdn h ALA 148 CO -0.02 -0.05 -0.28 0.28 0.00 0.00 0.00 179.25 179.19 2xdn h VAL 149 N 0.00 0.75 0.02 0.00 2.07 -0.75 0.45 116.25 118.80 2xdn h VAL 149 Ca 0.02 -1.18 -0.25 0.00 0.82 0.00 0.00 66.70 66.11 2xdn h VAL 149 Cb 0.07 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2xdn h VAL 149 CO -0.00 0.27 -1.29 -0.09 0.02 0.00 0.00 177.57 176.48 2xdn h ARG 150 N 0.00 0.05 -0.68 1.57 2.43 0.73 -3.26 114.38 115.23 2xdn h ARG 150 Ca -0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2xdn h ARG 150 Cb 0.72 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2xdn h ARG 150 CO 0.04 0.89 0.00 0.54 -1.51 0.00 0.00 179.97 179.92 2xdn n ARG 151 N -3.29 3.37 -3.06 0.20 5.12 -0.61 -4.88 116.66 113.50 2xdn n ARG 151 Ca -0.08 -2.06 -0.18 0.00 -1.93 0.00 0.00 57.85 53.61 2xdn n ARG 151 Cb 0.99 -1.91 0.04 0.00 -1.16 0.00 0.00 32.46 30.43 2xdn n ARG 151 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xdn n GLY 152 N 0.57 -0.23 0.09 -0.13 0.00 -1.19 -4.93 105.19 99.38 2xdn n GLY 152 Ca 0.18 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2xdn n GLY 152 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xdn n GLN 153 N -3.59 0.69 -4.35 1.61 6.02 0.15 -4.99 117.38 112.93 2xdn n GLN 153 Ca -0.05 0.09 -0.25 0.00 -0.01 0.00 0.00 57.00 56.78 2xdn n GLN 153 Cb 0.57 -1.39 -0.09 0.00 1.02 0.00 0.00 30.24 30.35 2xdn n GLN 153 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2xdn s LEU 154 N -5.95 2.85 0.70 1.08 1.43 -0.96 -4.95 118.68 112.89 2xdn s LEU 154 Ca -0.23 -0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 51.96 2xdn s LEU 154 Cb 0.06 -1.47 -0.10 0.00 0.03 0.00 0.00 46.19 44.71 2xdn s LEU 154 CO 0.49 0.07 0.00 -2.65 0.23 0.00 0.00 176.35 174.49 2xdn n PRO 155 N -0.30 0.12 0.14 1.29 -0.02 -1.26 -4.43 135.00 130.54 2xdn n PRO 155 Ca -0.09 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2xdn n PRO 155 Cb 0.57 -1.35 0.17 0.00 -0.02 0.00 0.00 33.50 32.87 2xdn n PRO 155 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2xdn h GLY 156 N -0.38 0.00 -3.57 -1.23 0.00 -1.99 -3.25 103.07 92.65 2xdn h GLY 156 Ca -0.44 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2xdn h GLY 156 CO 0.38 0.00 0.09 -1.84 0.00 0.00 0.00 176.54 175.17 2xdn n GLU 157 N -3.62 4.49 -2.60 4.80 0.28 -1.26 -4.97 120.64 117.75 2xdn n GLU 157 Ca -0.01 -3.15 -0.43 0.00 -0.16 0.00 0.00 57.16 53.42 2xdn n GLU 157 Cb 0.64 -2.25 -0.02 0.00 1.43 0.00 0.00 31.44 31.24 2xdn n GLU 157 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2xdn s LEU 158 N -2.86 3.99 -0.41 -1.84 1.98 -1.23 0.10 118.68 118.43 2xdn s LEU 158 Ca 0.55 1.21 -0.27 0.00 -2.89 0.00 0.00 54.13 52.73 2xdn s LEU 158 Cb 0.43 -3.54 -0.07 0.00 0.66 0.00 0.00 46.19 43.67 2xdn s LEU 158 CO 0.15 -0.83 2.35 -0.67 -1.89 0.00 0.00 176.35 175.46 2xdn n ASP 159 N 6.78 2.58 -0.12 3.68 -0.08 0.14 -4.84 116.55 124.68 2xdn n ASP 159 Ca 0.12 -0.22 -0.10 0.00 -1.51 0.00 0.00 54.79 53.09 2xdn n ASP 159 Cb 0.47 -1.55 -0.02 0.00 2.34 0.00 0.00 41.12 42.36 2xdn n ASP 159 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2xdn h ALA 160 N 17.66 0.48 -0.43 -1.67 0.00 -1.93 -1.07 119.26 132.30 2xdn h ALA 160 Ca -0.29 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2xdn h ALA 160 Cb 1.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2xdn h ALA 160 CO 1.09 0.14 -0.16 1.05 0.00 0.00 0.00 179.25 181.37 2xdn h GLU 161 N 0.44 0.82 -0.33 0.00 9.09 -1.92 -0.18 114.58 122.50 2xdn h GLU 161 Ca 0.12 -0.30 -0.13 0.00 0.05 0.00 0.00 59.36 59.09 2xdn h GLU 161 Cb 0.29 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.33 2xdn h GLU 161 CO -0.00 0.92 -0.31 0.00 0.05 0.00 0.00 179.01 179.67 2xdn h ARG 162 N 0.72 0.79 -0.96 1.06 3.08 -1.93 -1.45 114.38 115.70 2xdn h ARG 162 Ca 0.11 -0.41 0.06 0.00 0.07 0.00 0.00 59.98 59.81 2xdn h ARG 162 Cb 0.67 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.67 2xdn h ARG 162 CO 0.05 1.04 0.62 0.00 -1.07 0.00 0.00 179.97 180.61 2xdn h ALA 163 N 0.73 1.32 -0.37 0.04 0.00 -0.98 0.63 119.26 120.64 2xdn h ALA 163 Ca 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2xdn h ALA 163 Cb 0.89 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2xdn h ALA 163 CO 0.08 0.41 0.07 0.00 0.00 0.00 0.00 179.25 179.80 2xdn h ALA 164 N 1.43 0.49 -0.24 0.00 0.00 -0.63 0.25 119.26 120.57 2xdn h ALA 164 Ca 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2xdn h ALA 164 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2xdn h ALA 164 CO -0.17 0.19 0.15 0.28 0.00 0.00 0.00 179.25 179.70 2xdn h VAL 165 N 0.45 1.07 -0.20 0.00 2.07 -0.80 -0.90 116.25 117.95 2xdn h VAL 165 Ca 0.11 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2xdn h VAL 165 Cb 0.34 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2xdn h VAL 165 CO 0.01 0.07 0.04 0.00 0.02 0.00 0.00 177.57 177.70 2xdn h ALA 166 N 1.08 0.20 -0.19 1.67 0.00 -0.37 0.11 119.26 121.76 2xdn h ALA 166 Ca 0.09 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2xdn h ALA 166 Cb -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2xdn h ALA 166 CO -0.02 -0.39 -0.13 1.98 0.00 0.00 0.00 179.25 180.69 2xdn h MET 167 N 0.12 -0.12 0.06 0.00 4.05 -0.41 -1.68 114.93 116.95 2xdn h MET 167 Ca 0.09 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 2xdn h MET 167 Cb 0.08 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 2xdn h MET 167 CO -0.12 -0.08 -0.03 0.35 0.23 0.00 0.00 176.91 177.26 2xdn h PHE 168 N -0.13 -0.08 -0.58 1.39 3.57 -0.60 -1.92 116.94 118.60 2xdn h PHE 168 Ca 0.11 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.73 2xdn h PHE 168 Cb 0.29 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.96 2xdn h PHE 168 CO -0.28 0.09 -0.00 0.00 -2.23 0.00 0.00 178.31 175.89 2xdn h ALA 169 N 0.69 0.55 0.46 2.41 0.00 -0.76 0.23 119.26 122.85 2xdn h ALA 169 Ca -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2xdn h ALA 169 Cb 0.21 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2xdn h ALA 169 CO 0.01 -0.39 -0.22 -0.92 0.00 0.00 0.00 179.25 177.73 2xdn h TYR 170 N 0.11 -0.57 -0.26 0.00 3.20 -1.03 0.70 116.97 119.11 2xdn h TYR 170 Ca 0.30 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.22 2xdn h TYR 170 Cb 0.47 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.86 2xdn h TYR 170 CO -0.35 -0.30 -0.19 0.28 -1.64 0.00 0.00 178.16 175.96 2xdn h VAL 171 N -0.74 0.48 -0.62 1.81 2.07 -1.24 0.33 116.25 118.34 2xdn h VAL 171 Ca -0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2xdn h VAL 171 Cb 0.53 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2xdn h VAL 171 CO 0.10 0.00 0.27 -0.78 0.02 0.00 0.00 177.57 177.18 2xdn h ASP 172 N -0.18 0.84 -0.58 0.57 3.58 -0.36 0.77 116.42 121.06 2xdn h ASP 172 Ca 0.14 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.45 2xdn h ASP 172 Cb 0.40 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.20 2xdn h ASP 172 CO -0.37 0.76 0.38 1.23 -2.88 0.00 0.00 179.24 178.36 2xdn h GLY 173 N 0.86 0.81 1.26 -0.78 0.00 0.96 -1.83 103.07 104.35 2xdn h GLY 173 Ca 0.21 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 2xdn h GLY 173 CO -0.02 0.30 -0.32 -2.00 0.00 0.00 0.00 176.54 174.50 2xdn h LEU 174 N 0.78 0.86 -0.42 3.11 5.85 0.29 -1.88 115.31 123.90 2xdn h LEU 174 Ca 0.21 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2xdn h LEU 174 Cb -0.09 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 2xdn h LEU 174 CO -0.05 1.11 0.25 0.40 -0.34 0.00 0.00 178.44 179.81 2xdn h ILE 175 N 0.69 1.14 -0.27 4.05 2.04 -0.66 -0.60 117.51 123.90 2xdn h ILE 175 Ca 0.07 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 2xdn h ILE 175 Cb 0.87 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2xdn h ILE 175 CO 0.08 0.14 -0.23 -0.09 0.00 0.00 0.00 178.15 178.05 2xdn h ARG 176 N 0.55 0.51 -0.58 2.37 2.43 -1.25 -1.23 114.38 117.18 2xdn h ARG 176 Ca 0.15 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 2xdn h ARG 176 Cb 0.01 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2xdn h ARG 176 CO -0.03 0.71 0.03 -0.09 -1.51 0.00 0.00 179.97 179.08 2xdn h ARG 177 N 0.46 1.01 -0.28 0.20 9.65 -1.19 -1.93 114.38 122.29 2xdn h ARG 177 Ca 0.07 -0.30 -0.11 0.00 -1.10 0.00 0.00 59.98 58.53 2xdn h ARG 177 Cb 0.65 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 2xdn h ARG 177 CO 0.05 0.98 -0.30 2.35 2.80 0.00 0.00 179.97 185.85 2xdn h TRP 178 N 0.90 0.67 -0.13 2.20 7.01 -0.58 0.14 115.95 126.16 2xdn h TRP 178 Ca 0.17 -0.16 -0.03 0.00 2.11 0.00 0.00 58.89 60.98 2xdn h TRP 178 Cb 0.50 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.40 2xdn h TRP 178 CO 0.04 0.81 -0.03 -0.07 -2.79 0.00 0.00 178.44 176.40 2xdn h LEU 179 N 0.50 0.25 -0.24 0.65 3.38 -1.12 -1.43 115.31 117.30 2xdn h LEU 179 Ca 0.06 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2xdn h LEU 179 Cb 0.76 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2xdn h LEU 179 CO 0.06 0.56 0.12 0.25 0.09 0.00 0.00 178.44 179.52 2xdn h LEU 180 N -0.07 0.19 -6.28 1.67 5.85 -1.27 -3.39 115.31 112.01 2xdn h LEU 180 Ca 0.03 0.01 -0.58 0.00 0.84 0.00 0.00 57.88 58.18 2xdn h LEU 180 Cb 0.45 -0.03 -0.39 0.00 0.37 0.00 0.00 40.66 41.07 2xdn h LEU 180 CO 0.01 0.14 -0.98 0.18 -0.34 0.00 0.00 178.44 177.46 2xdn n LEU 181 N -4.98 0.22 -0.32 2.25 4.77 0.47 -5.00 117.00 114.41 2xdn n LEU 181 Ca -0.02 -4.60 0.13 0.00 -0.03 0.00 0.00 56.01 51.49 2xdn n LEU 181 Cb 0.06 0.42 0.31 0.00 -2.33 0.00 0.00 43.42 41.89 2xdn n LEU 181 CO 0.32 1.94 1.11 -0.65 -1.33 0.00 0.00 177.39 178.77 2xdn h PRO 182 N 4.96 0.54 -0.85 3.23 0.11 -1.45 -2.70 132.00 135.84 2xdn h PRO 182 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2xdn h PRO 182 Cb 0.87 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2xdn h PRO 182 CO 0.45 0.35 0.00 -0.25 -0.21 0.00 0.00 178.00 178.35 2xdn n ASP 183 N -4.92 0.96 0.00 -2.05 8.00 -1.26 -2.56 116.55 114.72 2xdn n ASP 183 Ca 0.23 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.71 2xdn n ASP 183 Cb 0.62 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 2xdn n ASP 183 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2xdn n SER 184 N -0.05 1.20 -3.28 -2.24 3.41 -1.02 -4.90 113.62 106.74 2xdn n SER 184 Ca 0.01 -1.59 -0.18 0.00 -0.26 0.00 0.00 58.87 56.84 2xdn n SER 184 Cb 0.23 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.11 2xdn n SER 184 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2xdn s VAL 185 N -0.59 -0.24 -0.56 -3.33 1.01 -1.06 -5.01 120.40 110.62 2xdn s VAL 185 Ca 0.00 -1.47 -0.26 0.00 0.00 0.00 0.00 61.98 60.25 2xdn s VAL 185 Cb 0.00 -0.73 -0.24 0.00 0.00 0.00 0.00 36.38 35.40 2xdn s VAL 185 CO 0.00 -0.69 1.82 -0.67 0.00 0.00 0.00 175.10 175.56 2xdn n ASP 186 N 3.64 1.88 -0.36 3.32 2.03 -1.26 -4.53 116.55 121.28 2xdn n ASP 186 Ca 0.17 -2.59 0.07 0.00 0.52 0.00 0.00 54.79 52.96 2xdn n ASP 186 Cb 0.47 -1.02 0.25 0.00 -0.72 0.00 0.00 41.12 40.10 2xdn n ASP 186 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2xdn h LEU 187 N 16.79 0.92 0.10 -2.67 5.85 -1.93 0.16 115.31 134.53 2xdn h LEU 187 Ca 0.29 0.05 -0.33 0.00 0.84 0.00 0.00 57.88 58.73 2xdn h LEU 187 Cb 0.75 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2xdn h LEU 187 CO 1.81 0.49 -1.79 0.25 -0.34 0.00 0.00 178.44 178.86 2xdn h LEU 188 N 0.98 0.33 -0.19 2.25 5.85 -1.91 -2.08 115.31 120.55 2xdn h LEU 188 Ca 0.49 -0.62 -0.21 0.00 0.84 0.00 0.00 57.88 58.38 2xdn h LEU 188 Cb 0.49 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2xdn h LEU 188 CO -0.26 1.55 -0.94 1.23 -0.34 0.00 0.00 178.44 179.68 2xdn h GLY 189 N 1.78 0.18 -1.17 3.75 0.00 -1.87 -3.32 103.07 102.42 2xdn h GLY 189 Ca -0.34 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.64 2xdn h GLY 189 CO 0.11 0.31 0.00 1.22 0.00 0.00 0.00 176.54 178.18 2xdn n ASP 190 N -3.58 3.43 -0.28 0.19 8.00 0.52 -4.80 116.55 120.02 2xdn n ASP 190 Ca -0.03 -2.95 0.08 0.00 0.71 0.00 0.00 54.79 52.59 2xdn n ASP 190 Cb 0.86 -0.49 0.19 0.00 -0.02 0.00 0.00 41.12 41.66 2xdn n ASP 190 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2xdn h VAL 191 N 1.36 0.25 -0.93 2.53 2.07 -1.47 0.13 116.25 120.18 2xdn h VAL 191 Ca 0.00 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2xdn h VAL 191 Cb 1.28 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2xdn h VAL 191 CO 0.15 0.02 0.60 -0.33 0.02 0.00 0.00 177.57 178.03 2xdn h GLU 192 N 0.09 1.10 -0.17 1.57 5.08 -1.87 0.23 114.58 120.61 2xdn h GLU 192 Ca 0.47 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 2xdn h GLU 192 Cb 0.86 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2xdn h GLU 192 CO -0.74 0.73 0.06 0.87 -1.00 0.00 0.00 179.01 178.93 2xdn h LYS 193 N 1.14 0.26 -0.51 2.33 1.57 -1.16 0.12 116.57 120.32 2xdn h LYS 193 Ca 0.39 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 2xdn h LYS 193 Cb 0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2xdn h LYS 193 CO -0.14 0.35 0.29 -1.49 -0.57 0.00 0.00 179.45 177.89 2xdn h TRP 194 N 0.11 0.68 -0.35 -1.35 4.06 -0.69 0.40 115.95 118.81 2xdn h TRP 194 Ca 0.06 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.98 2xdn h TRP 194 Cb 0.20 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 2xdn h TRP 194 CO -0.01 0.49 0.15 0.28 -3.56 0.00 0.00 178.44 175.79 2xdn h VAL 195 N 0.67 1.18 -0.06 1.49 2.07 -0.48 -3.08 116.25 118.04 2xdn h VAL 195 Ca 0.18 -0.52 -0.14 0.00 0.82 0.00 0.00 66.70 67.04 2xdn h VAL 195 Cb 0.02 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2xdn h VAL 195 CO -0.03 0.19 -0.57 0.44 0.02 0.00 0.00 177.57 177.61 2xdn h ASP 196 N 0.42 0.20 -0.80 0.57 3.32 -0.48 -2.01 116.42 117.63 2xdn h ASP 196 Ca 0.12 -0.11 0.14 0.00 0.02 0.00 0.00 57.03 57.19 2xdn h ASP 196 Cb 0.16 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 2xdn h ASP 196 CO -0.01 0.73 0.53 0.74 -1.72 0.00 0.00 179.24 179.51 2xdn h THR 197 N 0.14 0.83 0.10 0.35 2.02 -0.17 0.23 112.91 116.40 2xdn h THR 197 Ca -0.00 -0.19 -0.27 0.00 0.77 0.00 0.00 66.41 66.72 2xdn h THR 197 Cb 1.05 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2xdn h THR 197 CO 0.09 0.10 -1.16 1.23 0.37 0.00 0.00 175.52 176.14 2xdn h GLY 198 N 0.55 0.46 0.61 2.16 0.00 -1.30 -3.00 103.07 102.55 2xdn h GLY 198 Ca 0.40 -0.99 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 2xdn h GLY 198 CO -0.15 0.87 -0.01 1.41 0.00 0.00 0.00 176.54 178.66 2xdn h LEU 199 N 0.17 0.05 -0.68 3.11 3.38 -0.97 -3.13 115.31 117.24 2xdn h LEU 199 Ca -0.14 -0.42 0.11 0.00 0.09 0.00 0.00 57.88 57.52 2xdn h LEU 199 Cb 1.85 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 42.46 2xdn h LEU 199 CO 0.20 0.45 -0.39 0.44 0.09 0.00 0.00 178.44 179.23 2xdn h ASP 200 N -0.36 -1.38 -0.77 -0.43 3.32 -0.64 0.30 116.42 116.48 2xdn h ASP 200 Ca 0.00 0.25 0.13 0.00 0.02 0.00 0.00 57.03 57.44 2xdn h ASP 200 Cb 0.44 0.66 -0.14 0.00 0.22 0.00 0.00 39.33 40.51 2xdn h ASP 200 CO 0.00 -0.31 -0.33 -0.03 -1.72 0.00 0.00 179.24 176.85 2xdn h MET 201 N -0.15 -0.08 -0.22 3.56 1.85 -1.59 0.97 114.93 119.28 2xdn h MET 201 Ca 0.23 0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.29 2xdn h MET 201 Cb 0.56 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.60 2xdn h MET 201 CO -0.75 -0.05 -0.01 -0.07 -0.40 0.00 0.00 176.91 175.63 2xdn h LEU 202 N -0.08 0.39 -0.22 3.39 3.38 -0.58 -1.93 115.31 119.66 2xdn h LEU 202 Ca 0.30 -0.32 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 2xdn h LEU 202 Cb 0.58 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2xdn h LEU 202 CO -0.81 0.62 -0.92 -0.09 0.09 0.00 0.00 178.44 177.32 2xdn h ARG 203 N 0.15 0.25 0.00 1.13 2.43 -0.04 -3.36 114.38 114.93 2xdn h ARG 203 Ca 0.06 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2xdn h ARG 203 Cb 0.43 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2xdn h ARG 203 CO 0.01 1.01 -1.96 1.28 -1.51 0.00 0.00 179.97 178.80 2xdn n LEU 204 N -3.66 0.02 -4.55 3.80 4.77 0.33 -4.63 117.00 113.08 2xdn n LEU 204 Ca -0.05 -0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.49 2xdn n LEU 204 Cb 0.83 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.87 2xdn n LEU 204 CO 0.49 0.01 0.66 -0.55 -1.33 0.00 0.00 177.39 176.66 2xdn s SER 205 N -4.44 6.46 0.40 -1.43 0.15 -0.73 -4.91 113.70 109.20 2xdn s SER 205 Ca -0.07 0.01 0.20 0.00 0.70 0.00 0.00 55.95 56.79 2xdn s SER 205 Cb 0.14 -2.42 1.15 0.00 -1.71 0.00 0.00 66.02 63.18 2xdn s SER 205 CO 0.89 -0.98 1.74 -0.65 1.20 0.00 0.00 173.24 175.44 2xdn h PRO 206 N 9.02 0.33 0.00 5.44 0.11 -1.93 -1.51 132.00 143.46 2xdn h PRO 206 Ca -0.24 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 2xdn h PRO 206 Cb 1.08 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2xdn h PRO 206 CO 0.99 0.22 -0.19 0.00 -0.21 0.00 0.00 178.00 178.82 2xdn h ALA 207 N 1.63 1.43 -0.09 -0.75 0.00 -1.94 -2.00 119.26 117.54 2xdn h ALA 207 Ca 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2xdn h ALA 207 Cb 1.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2xdn h ALA 207 CO -0.34 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.42 2xdn n LEU 208 N -3.93 0.88 -4.96 0.00 4.77 -0.57 -4.87 117.00 108.32 2xdn n LEU 208 Ca -0.02 -0.37 -0.20 0.00 -0.03 0.00 0.00 56.01 55.39 2xdn n LEU 208 Cb 0.27 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2xdn n LEU 208 CO 0.34 0.18 0.01 -0.13 -1.33 0.00 0.00 177.39 176.46 2xdn s ARG 209 N -1.89 3.16 0.00 3.23 0.52 -0.75 -0.69 118.95 122.54 2xdn s ARG 209 Ca 0.29 -0.97 0.27 0.00 -0.52 0.00 0.00 55.73 54.80 2xdn s ARG 209 Cb 0.15 -2.80 0.78 0.00 0.52 0.00 0.00 34.95 33.60 2xdn s ARG 209 CO 0.23 0.19 1.59 1.63 0.02 0.00 0.00 175.30 178.96