#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4x s LEU 3 N 0.00 4.10 0.86 -2.13 1.02 -1.26 -5.11 118.68 116.15 3d4x s LEU 3 Ca 0.00 0.24 -0.12 0.00 0.02 0.00 0.00 54.13 54.27 3d4x s LEU 3 Cb 0.00 -2.36 0.11 0.00 0.02 0.00 0.00 46.19 43.96 3d4x s LEU 3 CO 0.00 0.28 1.15 0.42 0.02 0.00 0.00 176.35 178.22 3d4x s THR 4 N -1.22 2.12 0.48 5.49 -4.23 -1.26 -4.89 115.64 112.13 3d4x s THR 4 Ca 0.23 0.04 0.19 0.00 -1.18 0.00 0.00 61.69 60.97 3d4x s THR 4 Cb -0.12 -2.90 0.24 0.00 1.34 0.00 0.00 72.50 71.06 3d4x s THR 4 CO 0.14 -0.05 2.08 0.00 -0.54 0.00 0.00 174.62 176.25 3d4x h ALA 5 N -1.27 1.68 0.02 3.99 0.00 -1.99 -2.18 119.26 119.52 3d4x h ALA 5 Ca -0.48 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3d4x h ALA 5 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3d4x h ALA 5 CO 0.64 0.13 -0.01 1.49 0.00 0.00 0.00 179.25 181.50 3d4x h GLU 6 N 0.00 -0.03 -0.25 0.00 4.81 -2.00 -2.57 114.58 114.54 3d4x h GLU 6 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3d4x h GLU 6 Cb 0.21 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3d4x h GLU 6 CO 0.01 0.29 0.15 0.93 -0.73 0.00 0.00 179.01 179.67 3d4x h GLU 7 N -0.35 0.34 -0.95 1.92 5.08 -1.90 -2.50 114.58 116.22 3d4x h GLU 7 Ca -0.00 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.47 3d4x h GLU 7 Cb 0.33 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 3d4x h GLU 7 CO 0.00 0.27 0.61 0.87 -1.00 0.00 0.00 179.01 179.76 3d4x h LYS 8 N 0.32 0.81 -0.40 2.33 1.57 -1.42 -1.08 116.57 118.69 3d4x h LYS 8 Ca 0.09 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 3d4x h LYS 8 Cb 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3d4x h LYS 8 CO -0.02 0.53 -0.32 0.78 -0.57 0.00 0.00 179.45 179.86 3d4x h GLY 9 N 0.83 1.00 0.95 3.86 0.00 -1.03 0.41 103.07 109.09 3d4x h GLY 9 Ca 0.49 -0.98 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 3d4x h GLY 9 CO -0.25 0.89 0.03 1.41 0.00 0.00 0.00 176.54 178.62 3d4x h LEU 10 N 0.74 0.06 -0.01 3.11 3.38 -1.16 0.12 115.31 121.56 3d4x h LEU 10 Ca 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3d4x h LEU 10 Cb 0.90 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 3d4x h LEU 10 CO 0.08 0.10 0.00 0.58 0.09 0.00 0.00 178.44 179.30 3d4x h VAL 11 N 0.02 1.11 -0.17 1.22 2.07 -1.08 -2.24 116.25 117.19 3d4x h VAL 11 Ca 0.02 -0.33 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 3d4x h VAL 11 Cb 0.05 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3d4x h VAL 11 CO -0.00 0.09 -0.52 0.78 0.02 0.00 0.00 177.57 177.94 3d4x h ASN 12 N -0.13 0.51 -0.12 0.57 2.35 -0.21 0.30 115.58 118.85 3d4x h ASN 12 Ca 0.00 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.49 3d4x h ASN 12 Cb 0.14 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3d4x h ASN 12 CO -0.00 0.94 0.07 1.23 -1.65 0.00 0.00 177.43 178.02 3d4x h GLY 13 N 1.15 0.18 1.05 2.83 0.00 -0.77 -0.48 103.07 107.03 3d4x h GLY 13 Ca 0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 3d4x h GLY 13 CO 0.09 0.08 -0.16 -2.00 0.00 0.00 0.00 176.54 174.54 3d4x h LEU 14 N 0.12 0.91 -1.13 3.11 5.85 -1.34 -3.25 115.31 119.58 3d4x h LEU 14 Ca 0.04 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 3d4x h LEU 14 Cb 0.05 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3d4x h LEU 14 CO -0.01 1.09 -0.15 -0.25 -0.34 0.00 0.00 178.44 178.79 3d4x h TRP 15 N 0.73 0.46 0.00 1.25 2.91 -0.77 -1.93 115.95 118.60 3d4x h TRP 15 Ca 0.11 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3d4x h TRP 15 Cb 0.72 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.25 3d4x h TRP 15 CO 0.05 0.57 0.26 0.78 -1.03 0.00 0.00 178.44 179.07 3d4x h GLY 16 N 0.91 0.00 -1.49 2.65 0.00 -1.12 -2.07 103.07 101.96 3d4x h GLY 16 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3d4x h GLY 16 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 3d4x n LYS 17 N -2.77 1.61 -2.81 4.80 5.02 -0.73 -5.00 118.16 118.28 3d4x n LYS 17 Ca -0.02 -1.65 -0.42 0.00 -2.02 0.00 0.00 58.31 54.20 3d4x n LYS 17 Cb 0.31 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 3d4x n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d4x s VAL 18 N -1.41 4.86 -0.39 -0.18 1.01 -0.78 -5.01 120.40 118.50 3d4x s VAL 18 Ca 0.23 1.82 -0.29 0.00 0.00 0.00 0.00 61.98 63.74 3d4x s VAL 18 Cb 0.15 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.33 3d4x s VAL 18 CO 0.22 0.06 1.33 0.21 0.00 0.00 0.00 175.10 176.92 3d4x s ASN 19 N 1.07 6.48 0.11 3.32 3.84 -1.26 -4.93 114.94 123.57 3d4x s ASN 19 Ca 0.44 0.87 -0.25 0.00 0.21 0.00 0.00 52.86 54.13 3d4x s ASN 19 Cb -0.18 -2.54 -0.09 0.00 -0.55 0.00 0.00 41.25 37.89 3d4x s ASN 19 CO 0.17 -1.31 1.68 0.58 -2.79 0.00 0.00 177.10 175.43 3d4x h VAL 20 N 6.29 0.66 -0.70 -5.21 2.07 -1.97 -0.47 116.25 116.91 3d4x h VAL 20 Ca -0.26 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 3d4x h VAL 20 Cb 1.09 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3d4x h VAL 20 CO 1.08 0.00 0.15 -2.24 0.02 0.00 0.00 177.57 176.58 3d4x h ASP 21 N -0.28 1.08 0.49 0.57 2.03 -1.93 -2.45 116.42 115.93 3d4x h ASP 21 Ca 0.03 -0.24 -0.02 0.00 -0.73 0.00 0.00 57.03 56.06 3d4x h ASP 21 Cb 0.30 -0.29 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 3d4x h ASP 21 CO -0.10 1.05 -0.23 -0.08 -1.03 0.00 0.00 179.24 178.85 3d4x h GLU 22 N 1.07 -0.63 -0.33 4.15 4.81 -1.93 -3.14 114.58 118.58 3d4x h GLU 22 Ca 0.22 0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 3d4x h GLU 22 Cb 0.40 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3d4x h GLU 22 CO 0.01 -0.34 -0.19 0.28 -0.73 0.00 0.00 179.01 178.03 3d4x h VAL 23 N -1.06 1.26 0.48 0.32 2.07 -1.19 -2.47 116.25 115.65 3d4x h VAL 23 Ca -0.07 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 3d4x h VAL 23 Cb 0.58 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3d4x h VAL 23 CO 0.11 0.40 -0.23 1.23 0.02 0.00 0.00 177.57 179.10 3d4x h GLY 24 N 0.99 -0.67 1.84 2.17 0.00 -1.54 0.26 103.07 106.12 3d4x h GLY 24 Ca 0.09 0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.58 3d4x h GLY 24 CO 0.04 -0.24 -0.31 -1.33 0.00 0.00 0.00 176.54 174.71 3d4x h GLY 25 N -0.79 0.20 0.83 4.60 0.00 -1.63 -1.99 103.07 104.29 3d4x h GLY 25 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3d4x h GLY 25 CO 0.11 0.14 0.04 -2.09 0.00 0.00 0.00 176.54 174.74 3d4x h GLU 26 N 0.16 0.19 -0.18 4.80 4.57 -1.32 -0.46 114.58 122.35 3d4x h GLU 26 Ca 0.02 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3d4x h GLU 26 Cb 0.63 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 3d4x h GLU 26 CO 0.05 0.34 0.08 0.00 -1.18 0.00 0.00 179.01 178.30 3d4x h ALA 27 N 0.84 0.24 -0.18 2.92 0.00 -0.30 -2.26 119.26 120.51 3d4x h ALA 27 Ca 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3d4x h ALA 27 Cb 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3d4x h ALA 27 CO -0.00 -0.19 -0.09 1.25 0.00 0.00 0.00 179.25 180.22 3d4x h LEU 28 N 0.16 0.39 -0.69 0.00 5.85 -1.40 -2.35 115.31 117.27 3d4x h LEU 28 Ca 0.06 -0.41 0.11 0.00 0.84 0.00 0.00 57.88 58.48 3d4x h LEU 28 Cb 0.14 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 3d4x h LEU 28 CO -0.01 0.71 0.30 1.23 -0.34 0.00 0.00 178.44 180.34 3d4x h GLY 29 N 0.06 1.02 2.00 3.75 0.00 -1.11 -1.44 103.07 107.35 3d4x h GLY 29 Ca 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 3d4x h GLY 29 CO 0.03 -0.01 -0.25 3.21 0.00 0.00 0.00 176.54 179.51 3d4x h ARG 30 N 0.50 0.00 -0.13 4.80 3.08 -1.29 -1.52 114.38 119.81 3d4x h ARG 30 Ca 0.36 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 3d4x h ARG 30 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3d4x h ARG 30 CO -0.32 0.25 0.00 1.25 -1.07 0.00 0.00 179.97 180.09 3d4x h LEU 31 N 0.00 0.23 -1.63 3.04 5.85 -0.73 0.38 115.31 122.45 3d4x h LEU 31 Ca -0.00 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 3d4x h LEU 31 Cb 0.48 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3d4x h LEU 31 CO 0.03 0.48 0.04 -0.07 -0.34 0.00 0.00 178.44 178.58 3d4x h LEU 32 N -0.02 0.25 0.01 2.25 3.38 -1.12 -0.74 115.31 119.31 3d4x h LEU 32 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3d4x h LEU 32 Cb 0.36 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3d4x h LEU 32 CO 0.01 0.27 -0.00 0.58 0.09 0.00 0.00 178.44 179.38 3d4x h VAL 33 N 0.28 0.82 -0.17 1.22 2.07 -1.03 -3.31 116.25 116.12 3d4x h VAL 33 Ca 0.07 -1.59 -0.21 0.00 0.82 0.00 0.00 66.70 65.80 3d4x h VAL 33 Cb 0.12 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3d4x h VAL 33 CO -0.00 0.27 -0.71 0.58 0.02 0.00 0.00 177.57 177.73 3d4x h VAL 34 N -1.00 1.30 -2.90 2.57 2.07 -0.97 -3.35 116.25 113.98 3d4x h VAL 34 Ca -0.00 -1.95 -0.67 0.00 0.82 0.00 0.00 66.70 64.90 3d4x h VAL 34 Cb 0.46 1.92 -0.38 0.00 -1.52 0.00 0.00 31.29 31.78 3d4x h VAL 34 CO 0.00 0.61 -0.22 -1.22 0.02 0.00 0.00 177.57 176.77 3d4x n TYR 35 N -3.93 3.63 0.28 1.57 4.01 -0.28 -4.96 117.16 117.47 3d4x n TYR 35 Ca -0.06 -3.99 0.11 0.00 -0.16 0.00 0.00 57.90 53.81 3d4x n TYR 35 Cb 0.71 -0.89 0.53 0.00 -0.31 0.00 0.00 39.34 39.38 3d4x n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3d4x n PRO 36 N 1.69 0.16 0.26 -0.72 -0.04 -1.25 -1.70 135.00 133.41 3d4x n PRO 36 Ca 0.24 0.53 0.17 0.00 -0.04 0.00 0.00 63.50 64.40 3d4x n PRO 36 Cb 0.37 -1.90 0.75 0.00 -0.04 0.00 0.00 33.50 32.68 3d4x n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3d4x h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.91 -2.93 115.95 111.74 3d4x h TRP 37 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 58.96 3d4x h TRP 37 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.42 3d4x h TRP 37 CO 0.00 0.00 -0.09 1.79 0.09 0.00 0.00 178.44 180.23 3d4x h THR 38 N 0.00 0.19 -0.34 0.12 1.35 -1.65 -2.96 112.91 109.62 3d4x h THR 38 Ca 0.00 -0.91 0.10 0.00 -0.55 0.00 0.00 66.41 65.05 3d4x h THR 38 Cb 0.37 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 3d4x h THR 38 CO 0.00 0.09 0.31 1.56 -0.25 0.00 0.00 175.52 177.23 3d4x h GLN 39 N 0.00 0.00 -0.14 4.72 4.20 -1.73 -1.99 115.11 120.17 3d4x h GLN 39 Ca -0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3d4x h GLN 39 Cb 0.76 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3d4x h GLN 39 CO 0.01 0.00 0.16 -0.09 -0.67 0.00 0.00 178.83 178.24 3d4x h ARG 40 N 0.00 0.00 -0.01 1.46 2.43 -1.73 -1.48 114.38 115.05 3d4x h ARG 40 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3d4x h ARG 40 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3d4x h ARG 40 CO -0.00 0.00 -0.27 1.19 -1.51 0.00 0.00 179.97 179.38 3d4x n PHE 41 N -3.75 0.00 -2.57 2.20 3.72 -0.75 -4.40 117.46 111.91 3d4x n PHE 41 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.29 3d4x n PHE 41 Cb 0.27 -0.07 0.03 0.00 -0.94 0.00 0.00 39.48 38.77 3d4x n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3d4x n PHE 42 N -0.33 1.87 0.31 1.38 3.72 -0.56 -4.90 117.46 118.96 3d4x n PHE 42 Ca 0.12 -2.49 0.14 0.00 -0.05 0.00 0.00 57.45 55.17 3d4x n PHE 42 Cb 0.39 -0.27 0.46 0.00 -0.94 0.00 0.00 39.48 39.12 3d4x n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3d4x h GLU 43 N 2.63 0.00 -0.92 -1.08 5.08 -1.77 -3.17 114.58 115.35 3d4x h GLU 43 Ca 0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3d4x h GLU 43 Cb 1.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 3d4x h GLU 43 CO 0.49 0.00 0.07 -1.13 -1.00 0.00 0.00 179.01 177.44 3d4x n SER 44 N -2.89 2.71 -0.21 1.42 3.41 -1.26 -3.59 113.62 113.21 3d4x n SER 44 Ca 0.02 -2.35 0.06 0.00 -0.26 0.00 0.00 58.87 56.34 3d4x n SER 44 Cb 0.38 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 3d4x n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3d4x n PHE 45 N 0.12 0.00 -0.39 7.33 3.01 -1.20 -5.10 117.46 121.24 3d4x n PHE 45 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 3d4x n PHE 45 Cb 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.12 3d4x n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d4x n GLY 46 N 1.07 0.76 3.59 1.37 0.00 -1.24 -4.72 105.19 106.02 3d4x n GLY 46 Ca 0.04 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 3d4x n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d4x s ASP 47 N -4.00 5.99 -0.21 1.61 -1.08 -1.26 -4.80 116.67 112.93 3d4x s ASP 47 Ca 0.00 0.82 0.12 0.00 -0.52 0.00 0.00 52.55 52.97 3d4x s ASP 47 Cb 0.00 -2.53 0.41 0.00 -1.46 0.00 0.00 42.92 39.34 3d4x s ASP 47 CO 0.00 -1.71 1.23 0.18 0.52 0.00 0.00 175.17 175.38 3d4x n LEU 48 N 10.02 2.75 0.23 -1.34 4.77 -1.26 -4.14 117.00 128.02 3d4x n LEU 48 Ca 0.18 -3.82 0.12 0.00 -0.03 0.00 0.00 56.01 52.47 3d4x n LEU 48 Cb 0.48 -0.53 0.33 0.00 -2.33 0.00 0.00 43.42 41.38 3d4x n LEU 48 CO 0.70 1.33 0.81 0.77 -1.33 0.00 0.00 177.39 179.67 3d4x h SER 49 N 0.90 0.00 -5.21 -1.43 4.64 -1.95 -3.46 113.55 107.04 3d4x h SER 49 Ca 0.01 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 3d4x h SER 49 Cb 1.03 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.02 3d4x h SER 49 CO 0.02 0.10 -0.15 -0.94 -0.87 0.00 0.00 176.83 174.99 3d4x s SER 50 N -6.10 -0.09 0.19 4.97 1.04 -1.26 -5.05 113.70 107.39 3d4x s SER 50 Ca 0.04 -0.80 -0.12 0.00 0.48 0.00 0.00 55.95 55.55 3d4x s SER 50 Cb 0.07 0.54 0.10 0.00 0.10 0.00 0.00 66.02 66.83 3d4x s SER 50 CO 0.64 -1.04 1.82 0.00 0.98 0.00 0.00 173.24 175.64 3d4x h ALA 51 N 2.33 0.81 -0.15 5.32 0.00 -1.98 -0.85 119.26 124.74 3d4x h ALA 51 Ca -0.29 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 3d4x h ALA 51 Cb 1.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3d4x h ALA 51 CO 0.40 0.29 -0.49 -0.44 0.00 0.00 0.00 179.25 179.01 3d4x h ASP 52 N 0.86 0.43 0.48 0.00 3.32 -1.98 -1.19 116.42 118.34 3d4x h ASP 52 Ca 0.23 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3d4x h ASP 52 Cb -0.01 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3d4x h ASP 52 CO -0.04 0.85 -0.27 0.00 -1.72 0.00 0.00 179.24 178.06 3d4x h ALA 53 N 1.16 -0.70 -0.64 3.45 0.00 -1.81 -2.61 119.26 118.10 3d4x h ALA 53 Ca 0.02 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.89 3d4x h ALA 53 Cb 0.97 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 3d4x h ALA 53 CO 0.08 -0.91 0.22 0.82 0.00 0.00 0.00 179.25 179.47 3d4x h ILE 54 N -0.70 0.72 0.00 0.00 2.04 -1.15 -1.30 117.51 117.12 3d4x h ILE 54 Ca -0.06 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3d4x h ILE 54 Cb 0.57 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3d4x h ILE 54 CO 0.07 0.07 -0.13 0.24 0.00 0.00 0.00 178.15 178.40 3d4x h MET 55 N 0.39 0.00 -0.29 2.37 2.86 -1.17 -2.89 114.93 116.20 3d4x h MET 55 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 3d4x h MET 55 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3d4x h MET 55 CO -0.35 0.13 0.00 -1.13 1.06 0.00 0.00 176.91 176.62 3d4x n SER 56 N -3.19 2.75 -4.67 1.22 3.41 -0.99 -4.97 113.62 107.18 3d4x n SER 56 Ca 0.02 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.25 3d4x n SER 56 Cb 0.47 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 3d4x n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3d4x s ASN 57 N -0.99 6.74 0.26 4.04 3.84 -0.50 -4.91 114.94 123.43 3d4x s ASN 57 Ca 0.20 2.17 -0.02 0.00 0.21 0.00 0.00 52.86 55.42 3d4x s ASN 57 Cb 0.11 -2.54 0.34 0.00 -0.55 0.00 0.00 41.25 38.60 3d4x s ASN 57 CO 0.14 -0.85 1.78 0.00 -2.79 0.00 0.00 177.10 175.38 3d4x h ALA 58 N 8.78 1.14 -0.22 1.71 0.00 -1.90 -2.26 119.26 126.51 3d4x h ALA 58 Ca -0.38 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 3d4x h ALA 58 Cb 1.17 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3d4x h ALA 58 CO 0.94 0.57 -0.32 0.87 0.00 0.00 0.00 179.25 181.30 3d4x h LYS 59 N 0.79 0.61 -0.31 0.00 1.57 -1.91 -2.30 116.57 115.02 3d4x h LYS 59 Ca 0.16 -0.36 0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3d4x h LYS 59 Cb 0.38 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.64 3d4x h LYS 59 CO 0.01 0.97 -0.34 0.28 -0.57 0.00 0.00 179.45 179.80 3d4x h VAL 60 N 0.30 0.23 -0.45 0.50 2.07 -1.84 -1.82 116.25 115.24 3d4x h VAL 60 Ca 0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.63 3d4x h VAL 60 Cb 0.91 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 3d4x h VAL 60 CO 0.08 0.00 0.01 0.11 0.02 0.00 0.00 177.57 177.79 3d4x h LYS 61 N -0.31 0.12 -0.38 1.57 1.57 -1.35 -0.26 116.57 117.53 3d4x h LYS 61 Ca 0.14 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3d4x h LYS 61 Cb 0.55 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3d4x h LYS 61 CO -0.48 0.08 -0.08 0.00 -0.57 0.00 0.00 179.45 178.40 3d4x h ALA 62 N 1.39 1.15 -0.07 3.86 0.00 -1.22 -2.41 119.26 121.97 3d4x h ALA 62 Ca 0.22 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 3d4x h ALA 62 Cb 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3d4x h ALA 62 CO -0.36 0.54 -0.83 1.25 0.00 0.00 0.00 179.25 179.85 3d4x h HIS 63 N 0.59 0.72 -0.58 0.00 -0.00 -0.89 -2.54 115.15 112.45 3d4x h HIS 63 Ca 0.11 -0.34 0.02 0.00 -0.00 0.00 0.00 60.37 60.16 3d4x h HIS 63 Cb 0.50 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.77 3d4x h HIS 63 CO 0.02 1.14 0.36 0.78 -0.00 0.00 0.00 177.93 180.23 3d4x h GLY 64 N 1.04 0.83 0.29 5.26 0.00 -0.94 0.78 103.07 110.33 3d4x h GLY 64 Ca -0.06 -0.27 0.06 0.00 0.00 0.00 0.00 47.33 47.06 3d4x h GLY 64 CO 0.15 0.24 -0.17 1.70 0.00 0.00 0.00 176.54 178.46 3d4x h LYS 65 N 0.71 -0.15 -0.20 4.80 3.64 -1.42 0.65 116.57 124.60 3d4x h LYS 65 Ca 0.23 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3d4x h LYS 65 Cb 0.00 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3d4x h LYS 65 CO -0.09 -0.10 -0.17 -0.22 -2.27 0.00 0.00 179.45 176.60 3d4x h LYS 66 N -0.16 0.33 -0.58 1.90 3.64 -1.06 -1.31 116.57 119.33 3d4x h LYS 66 Ca 0.14 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3d4x h LYS 66 Cb 0.36 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3d4x h LYS 66 CO -0.34 0.50 0.04 0.28 -2.27 0.00 0.00 179.45 177.66 3d4x h VAL 67 N 0.31 1.26 -0.00 2.00 2.07 -0.42 -3.03 116.25 118.43 3d4x h VAL 67 Ca 0.06 -1.05 -0.15 0.00 0.82 0.00 0.00 66.70 66.37 3d4x h VAL 67 Cb 0.48 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3d4x h VAL 67 CO 0.03 0.38 -0.73 0.25 0.02 0.00 0.00 177.57 177.53 3d4x h LEU 68 N 0.90 0.01 -0.86 2.57 5.85 -0.29 -2.82 115.31 120.67 3d4x h LEU 68 Ca 0.17 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 3d4x h LEU 68 Cb 0.47 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3d4x h LEU 68 CO 0.02 0.74 -0.34 0.78 -0.34 0.00 0.00 178.44 179.30 3d4x h ASN 69 N 0.01 0.45 1.09 1.25 2.35 -1.23 -1.55 115.58 117.96 3d4x h ASN 69 Ca -0.01 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.49 3d4x h ASN 69 Cb 1.29 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 3d4x h ASN 69 CO 0.10 0.76 -0.35 0.77 -1.65 0.00 0.00 177.43 177.06 3d4x h SER 70 N 0.38 0.00 -0.44 5.81 4.64 -1.48 -1.39 113.55 121.06 3d4x h SER 70 Ca 0.04 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 3d4x h SER 70 Cb 0.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 3d4x h SER 70 CO 0.06 0.35 0.09 -0.26 -0.87 0.00 0.00 176.83 176.20 3d4x h PHE 71 N 0.00 0.77 -0.11 4.77 0.04 -1.22 -1.76 116.94 119.43 3d4x h PHE 71 Ca -0.00 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.67 3d4x h PHE 71 Cb 0.99 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.92 3d4x h PHE 71 CO 0.00 0.72 0.07 0.77 -0.60 0.00 0.00 178.31 179.26 3d4x h SER 72 N 0.59 0.14 0.11 2.17 0.02 -0.97 0.65 113.55 116.25 3d4x h SER 72 Ca 0.14 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3d4x h SER 72 Cb 0.35 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3d4x h SER 72 CO 0.01 0.15 -0.05 0.44 -1.14 0.00 0.00 176.83 176.24 3d4x h ASP 73 N 0.11 0.00 -0.32 3.07 3.32 -1.31 -0.92 116.42 120.36 3d4x h ASP 73 Ca 0.04 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 3d4x h ASP 73 Cb 0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3d4x h ASP 73 CO -0.01 0.05 -0.37 1.23 -1.72 0.00 0.00 179.24 178.42 3d4x h GLY 74 N 0.28 0.89 1.16 2.75 0.00 -0.43 -2.70 103.07 105.02 3d4x h GLY 74 Ca -0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 47.33 46.35 3d4x h GLY 74 CO 0.01 0.85 0.30 1.41 0.00 0.00 0.00 176.54 179.10 3d4x h LEU 75 N 0.59 0.98 -0.53 3.11 4.07 0.40 -2.12 115.31 121.81 3d4x h LEU 75 Ca 0.04 -0.14 -0.16 0.00 0.08 0.00 0.00 57.88 57.70 3d4x h LEU 75 Cb 0.96 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 3d4x h LEU 75 CO 0.09 0.86 -0.66 0.11 -1.08 0.00 0.00 178.44 177.76 3d4x h LYS 76 N 1.05 0.32 -1.15 1.13 1.57 -1.33 -3.24 116.57 114.92 3d4x h LYS 76 Ca 0.25 -0.24 -0.65 0.00 -1.87 0.00 0.00 60.65 58.14 3d4x h LYS 76 Cb 0.18 0.04 -0.34 0.00 0.08 0.00 0.00 32.23 32.19 3d4x h LYS 76 CO -0.02 0.86 0.24 0.09 -0.57 0.00 0.00 179.45 180.05 3d4x n ASN 77 N -3.85 6.55 0.23 0.86 3.02 -1.02 -4.79 115.26 116.25 3d4x n ASN 77 Ca -0.03 -3.78 0.10 0.00 -0.03 0.00 0.00 54.58 50.84 3d4x n ASN 77 Cb 0.66 -0.75 0.51 0.00 -0.61 0.00 0.00 39.78 39.58 3d4x n ASN 77 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3d4x h ILE 78 N 1.68 0.55 -0.00 2.41 6.09 -1.42 -0.07 117.51 126.75 3d4x h ILE 78 Ca 0.50 -1.02 0.00 0.00 -1.37 0.00 0.00 64.86 62.97 3d4x h ILE 78 Cb 0.91 1.70 0.00 0.00 0.47 0.00 0.00 36.82 39.89 3d4x h ILE 78 CO 1.25 0.20 0.00 0.47 -3.07 0.00 0.00 178.15 177.00 3d4x n ASP 79 N -3.42 0.01 -2.86 2.19 8.00 -1.26 -3.95 116.55 115.25 3d4x n ASP 79 Ca -0.00 -1.11 -0.12 0.00 0.71 0.00 0.00 54.79 54.26 3d4x n ASP 79 Cb 0.40 -0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.53 3d4x n ASP 79 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3d4x n ASP 80 N -0.94 -1.89 -0.01 -2.24 2.03 -0.05 -4.97 116.55 108.48 3d4x n ASP 80 Ca 0.21 -3.27 -0.09 0.00 0.52 0.00 0.00 54.79 52.16 3d4x n ASP 80 Cb 0.10 1.20 0.06 0.00 -0.72 0.00 0.00 41.12 41.76 3d4x n ASP 80 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3d4x h LEU 81 N 3.67 0.66 -1.15 -2.67 3.38 -1.66 -1.53 115.31 116.02 3d4x h LEU 81 Ca -0.08 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.59 3d4x h LEU 81 Cb 1.01 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 3d4x h LEU 81 CO 0.32 1.04 0.58 0.11 0.09 0.00 0.00 178.44 180.58 3d4x h LYS 82 N 0.48 1.12 -0.49 1.13 1.57 -1.90 -0.15 116.57 118.32 3d4x h LYS 82 Ca 0.02 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3d4x h LYS 82 Cb 1.03 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3d4x h LYS 82 CO 0.10 0.74 0.22 0.78 -0.57 0.00 0.00 179.45 180.72 3d4x h GLY 83 N 1.15 0.76 2.00 3.86 0.00 -1.89 -3.06 103.07 105.90 3d4x h GLY 83 Ca 0.33 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 3d4x h GLY 83 CO -0.08 0.37 -0.19 0.00 0.00 0.00 0.00 176.54 176.63 3d4x h ALA 84 N 1.06 1.20 -0.01 3.60 0.00 -0.15 -3.30 119.26 121.67 3d4x h ALA 84 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d4x h ALA 84 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3d4x h ALA 84 CO -0.02 0.24 0.00 1.19 0.00 0.00 0.00 179.25 180.66 3d4x n PHE 85 N -3.62 0.02 -0.23 0.00 3.72 -0.20 -4.75 117.46 112.41 3d4x n PHE 85 Ca -0.01 -0.25 0.03 0.00 -0.05 0.00 0.00 57.45 57.17 3d4x n PHE 85 Cb 0.33 -0.02 0.15 0.00 -0.94 0.00 0.00 39.48 38.99 3d4x n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3d4x h ALA 86 N 0.15 0.89 -0.06 4.37 0.00 -1.61 0.38 119.26 123.38 3d4x h ALA 86 Ca 0.00 0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 3d4x h ALA 86 Cb 0.27 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3d4x h ALA 86 CO 0.00 -0.24 -0.89 0.87 0.00 0.00 0.00 179.25 178.99 3d4x h LYS 87 N 0.37 0.59 -0.01 0.00 1.57 -1.85 -2.72 116.57 114.52 3d4x h LYS 87 Ca 0.36 -0.56 -0.13 0.00 -1.87 0.00 0.00 60.65 58.45 3d4x h LYS 87 Cb 0.53 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 3d4x h LYS 87 CO -0.39 1.18 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.97 3d4x h LEU 88 N 0.37 0.05 0.54 2.94 3.38 -1.76 -2.55 115.31 118.27 3d4x h LEU 88 Ca -0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3d4x h LEU 88 Cb 1.51 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.25 3d4x h LEU 88 CO 0.17 0.66 -0.26 -1.28 0.09 0.00 0.00 178.44 177.82 3d4x h SER 89 N 0.03 -0.61 -0.41 -0.43 0.87 -0.20 -1.31 113.55 111.48 3d4x h SER 89 Ca -0.01 -0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.63 3d4x h SER 89 Cb 1.11 0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 63.15 3d4x h SER 89 CO 0.08 -0.38 -0.13 -0.33 -0.53 0.00 0.00 176.83 175.54 3d4x h GLU 90 N -0.80 -0.04 -0.63 2.24 5.08 -1.50 -1.90 114.58 117.03 3d4x h GLU 90 Ca -0.07 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3d4x h GLU 90 Cb 0.59 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 3d4x h GLU 90 CO 0.12 -0.02 0.34 1.25 -1.00 0.00 0.00 179.01 179.70 3d4x h LEU 91 N -0.04 0.50 -1.04 1.33 5.85 -1.40 0.89 115.31 121.40 3d4x h LEU 91 Ca 0.20 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.86 3d4x h LEU 91 Cb 0.34 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3d4x h LEU 91 CO -0.45 0.33 -0.39 0.45 -0.34 0.00 0.00 178.44 178.04 3d4x h HIS 92 N 0.64 0.20 0.00 1.25 3.86 -0.86 -1.66 115.15 118.57 3d4x h HIS 92 Ca 0.28 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3d4x h HIS 92 Cb 0.18 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3d4x h HIS 92 CO -0.09 0.54 -0.03 0.00 0.86 0.00 0.00 177.93 179.21 3d4x h ASP 94 N -0.38 0.69 0.01 0.00 3.32 0.70 -2.67 116.42 118.09 3d4x h ASP 94 Ca 0.00 -0.31 -0.41 0.00 0.02 0.00 0.00 57.03 56.32 3d4x h ASP 94 Cb 0.03 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.32 3d4x h ASP 94 CO 0.00 1.02 -2.42 0.29 -1.72 0.00 0.00 179.24 176.41 3d4x n LYS 95 N -4.03 0.63 -0.00 3.56 4.76 -0.71 -4.71 118.16 117.67 3d4x n LYS 95 Ca -0.02 0.23 0.08 0.00 -2.87 0.00 0.00 58.31 55.73 3d4x n LYS 95 Cb 0.53 -1.53 -0.14 0.00 -1.84 0.00 0.00 35.03 32.06 3d4x n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3d4x n LEU 96 N -3.77 0.18 -3.48 -0.35 4.77 -0.71 -5.01 117.00 108.62 3d4x n LEU 96 Ca -0.48 0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.38 3d4x n LEU 96 Cb 0.93 0.06 0.06 0.00 -2.33 0.00 0.00 43.42 42.14 3d4x n LEU 96 CO 0.17 0.04 0.02 1.41 -1.33 0.00 0.00 177.39 177.70 3d4x n HIS 97 N -2.42 -2.15 -3.52 -1.77 8.25 0.05 -4.97 115.22 108.68 3d4x n HIS 97 Ca -0.07 0.85 -0.40 0.00 -0.26 0.00 0.00 57.72 57.83 3d4x n HIS 97 Cb 0.65 -4.50 -0.10 0.00 1.12 0.00 0.00 29.99 27.16 3d4x n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3d4x s VAL 98 N -3.47 5.28 -0.22 1.59 1.01 -0.56 -5.03 120.40 119.01 3d4x s VAL 98 Ca 0.16 -0.23 -0.38 0.00 0.00 0.00 0.00 61.98 61.54 3d4x s VAL 98 Cb -0.03 -3.73 -0.14 0.00 0.00 0.00 0.00 36.38 32.48 3d4x s VAL 98 CO 0.77 -0.03 1.83 -0.67 0.00 0.00 0.00 175.10 177.00 3d4x n ASP 99 N 5.12 2.78 0.00 3.32 4.64 -1.26 -4.76 116.55 126.39 3d4x n ASP 99 Ca -0.12 0.99 0.02 0.00 -1.38 0.00 0.00 54.79 54.30 3d4x n ASP 99 Cb 0.50 -1.24 0.11 0.00 -1.04 0.00 0.00 41.12 39.45 3d4x n ASP 99 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3d4x n PRO 100 N 6.09 0.03 0.28 -0.67 -0.02 -1.26 -1.67 135.00 137.79 3d4x n PRO 100 Ca 0.26 0.34 0.16 0.00 -2.02 0.00 0.00 63.50 62.24 3d4x n PRO 100 Cb 0.20 -1.50 0.83 0.00 -0.02 0.00 0.00 33.50 33.01 3d4x n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3d4x h GLU 101 N 0.00 0.00 0.00 -0.52 4.57 -1.98 -2.46 114.58 114.19 3d4x h GLU 101 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3d4x h GLU 101 Cb 0.07 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3d4x h GLU 101 CO 0.00 0.07 -0.09 -0.91 -1.18 0.00 0.00 179.01 176.90 3d4x h ASN 102 N 0.00 0.00 -0.16 1.04 2.35 -1.69 -3.07 115.58 114.04 3d4x h ASN 102 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3d4x h ASN 102 Cb 0.28 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3d4x h ASN 102 CO 0.01 0.09 -0.05 -0.26 -1.65 0.00 0.00 177.43 175.57 3d4x h PHE 103 N 0.00 0.48 -0.71 1.19 0.04 -1.63 -2.83 116.94 113.49 3d4x h PHE 103 Ca -0.00 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 3d4x h PHE 103 Cb 0.72 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 3d4x h PHE 103 CO 0.00 0.52 0.26 0.00 -0.60 0.00 0.00 178.31 178.48 3d4x h ARG 104 N 0.44 1.07 -0.40 1.51 3.08 -1.68 -2.51 114.38 115.90 3d4x h ARG 104 Ca 0.09 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3d4x h ARG 104 Cb 0.37 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3d4x h ARG 104 CO 0.02 0.89 0.16 -0.07 -1.07 0.00 0.00 179.97 179.89 3d4x h LEU 105 N 1.04 0.55 -0.36 3.04 3.38 -1.63 -1.90 115.31 119.43 3d4x h LEU 105 Ca 0.24 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3d4x h LEU 105 Cb 0.24 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3d4x h LEU 105 CO -0.02 0.57 -0.03 0.25 0.09 0.00 0.00 178.44 179.31 3d4x h LEU 106 N 0.49 0.64 -0.43 1.67 5.85 -1.41 -1.23 115.31 120.90 3d4x h LEU 106 Ca 0.13 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.60 3d4x h LEU 106 Cb 0.19 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 3d4x h LEU 106 CO -0.01 0.82 0.03 1.23 -0.34 0.00 0.00 178.44 180.17 3d4x h GLY 107 N 0.46 0.46 1.01 3.75 0.00 -1.40 -0.33 103.07 107.02 3d4x h GLY 107 Ca 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 3d4x h GLY 107 CO 0.02 -0.09 0.28 3.43 0.00 0.00 0.00 176.54 180.18 3d4x h ASN 108 N 0.14 0.90 -0.61 0.19 2.35 -1.19 -2.35 115.58 115.01 3d4x h ASN 108 Ca 0.21 -0.16 0.05 0.00 -0.55 0.00 0.00 56.30 55.85 3d4x h ASN 108 Cb 0.30 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 3d4x h ASN 108 CO -0.33 0.81 0.34 0.58 -1.65 0.00 0.00 177.43 177.19 3d4x h VAL 109 N 0.93 0.99 -0.67 2.81 2.07 -0.96 -1.75 116.25 119.66 3d4x h VAL 109 Ca 0.22 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3d4x h VAL 109 Cb 0.19 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 3d4x h VAL 109 CO -0.02 0.12 0.40 0.25 0.02 0.00 0.00 177.57 178.34 3d4x h LEU 110 N 0.65 0.64 -0.68 2.57 5.85 -0.69 -1.49 115.31 122.17 3d4x h LEU 110 Ca 0.27 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 3d4x h LEU 110 Cb 0.14 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3d4x h LEU 110 CO -0.16 0.44 0.34 0.58 -0.34 0.00 0.00 178.44 179.30 3d4x h VAL 111 N 0.77 1.22 -0.93 1.05 2.07 -1.22 0.58 116.25 119.80 3d4x h VAL 111 Ca 0.28 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3d4x h VAL 111 Cb 0.07 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 3d4x h VAL 111 CO -0.13 0.25 0.61 0.00 0.02 0.00 0.00 177.57 178.33 3d4x h VAL 113 N 1.26 1.32 -0.63 0.00 2.07 -0.58 0.09 116.25 119.77 3d4x h VAL 113 Ca 0.34 -1.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.02 3d4x h VAL 113 Cb -0.14 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3d4x h VAL 113 CO -0.07 0.55 0.11 -0.07 0.02 0.00 0.00 177.57 178.11 3d4x h LEU 114 N 0.43 0.99 0.10 2.57 3.38 -0.67 -2.56 115.31 119.55 3d4x h LEU 114 Ca 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3d4x h LEU 114 Cb 1.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3d4x h LEU 114 CO 0.10 0.99 -0.08 0.00 0.09 0.00 0.00 178.44 179.54 3d4x h ALA 115 N 1.03 -0.17 -0.66 1.53 0.00 -0.88 -0.87 119.26 119.23 3d4x h ALA 115 Ca 0.19 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.20 3d4x h ALA 115 Cb 0.42 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.18 3d4x h ALA 115 CO 0.01 -0.61 -0.20 1.25 0.00 0.00 0.00 179.25 179.71 3d4x h HIS 116 N -0.19 -0.45 -0.05 0.00 -0.00 -0.99 -0.42 115.15 113.03 3d4x h HIS 116 Ca -0.00 0.06 -0.22 0.00 -0.00 0.00 0.00 60.37 60.21 3d4x h HIS 116 Cb 0.17 0.30 0.02 0.00 -0.00 0.00 0.00 27.41 27.90 3d4x h HIS 116 CO -0.10 -0.31 -0.83 0.45 -0.00 0.00 0.00 177.93 177.15 3d4x h HIS 117 N -0.03 0.93 0.00 5.26 -0.00 -1.30 -3.37 115.15 116.64 3d4x h HIS 117 Ca 0.31 -0.47 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 3d4x h HIS 117 Cb 0.51 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.80 3d4x h HIS 117 CO -0.56 1.30 -1.12 1.19 -0.00 0.00 0.00 177.93 178.74 3d4x n PHE 118 N -3.99 0.00 0.00 2.45 3.72 -0.35 -5.03 117.46 114.27 3d4x n PHE 118 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3d4x n PHE 118 Cb 0.77 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 3d4x n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d4x n GLY 119 N 1.43 3.85 0.25 1.37 0.00 -0.17 -2.14 105.19 109.78 3d4x n GLY 119 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3d4x n GLY 119 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3d4x h HIS 120 N 0.00 0.00 0.00 1.61 -0.00 -1.96 -1.67 115.15 113.14 3d4x h HIS 120 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3d4x h HIS 120 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3d4x h HIS 120 CO 0.00 0.13 0.00 -0.25 -0.00 0.00 0.00 177.93 177.81 3d4x n ASP 121 N -3.97 0.00 -3.98 3.26 8.00 -0.91 -3.70 116.55 115.26 3d4x n ASP 121 Ca -0.02 0.30 -0.43 0.00 0.71 0.00 0.00 54.79 55.34 3d4x n ASP 121 Cb 0.22 -0.41 0.01 0.00 -0.02 0.00 0.00 41.12 40.92 3d4x n ASP 121 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3d4x n PHE 122 N -1.41 2.26 -0.59 1.24 7.35 -0.63 -4.93 117.46 120.75 3d4x n PHE 122 Ca 0.07 -2.57 -0.30 0.00 -0.76 0.00 0.00 57.45 53.89 3d4x n PHE 122 Cb 0.20 -1.29 0.22 0.00 0.35 0.00 0.00 39.48 38.96 3d4x n PHE 122 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3d4x s ASN 123 N -1.65 1.80 0.40 -2.13 0.01 -1.24 -4.72 114.94 107.41 3d4x s ASN 123 Ca 0.32 1.86 0.06 0.00 -0.71 0.00 0.00 52.86 54.39 3d4x s ASN 123 Cb 0.06 -2.45 0.83 0.00 0.41 0.00 0.00 41.25 40.10 3d4x s ASN 123 CO 0.10 -3.75 2.05 -0.65 -1.51 0.00 0.00 177.10 173.34 3d4x h PRO 124 N -2.31 0.58 -0.11 -0.60 0.11 -1.95 0.20 132.00 127.91 3d4x h PRO 124 Ca -0.53 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.47 3d4x h PRO 124 Cb 1.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3d4x h PRO 124 CO 0.46 0.38 -0.21 1.96 -0.21 0.00 0.00 178.00 180.38 3d4x h GLN 125 N 0.60 0.34 -0.33 1.05 1.08 -1.99 -0.72 115.11 115.13 3d4x h GLN 125 Ca 0.16 -0.21 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 3d4x h GLN 125 Cb -0.07 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.33 3d4x h GLN 125 CO -0.03 0.81 -0.02 0.28 -0.95 0.00 0.00 178.83 178.91 3d4x h VAL 126 N -0.09 0.74 -0.64 -0.54 2.07 -1.88 -2.39 116.25 113.51 3d4x h VAL 126 Ca 0.01 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3d4x h VAL 126 Cb 0.79 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3d4x h VAL 126 CO 0.05 0.01 0.37 -0.61 0.02 0.00 0.00 177.57 177.41 3d4x h GLN 127 N 0.07 0.69 -0.52 1.57 4.15 -0.53 -2.09 115.11 118.44 3d4x h GLN 127 Ca 0.16 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 3d4x h GLN 127 Cb 0.22 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 3d4x h GLN 127 CO -0.28 0.46 0.20 0.00 -1.93 0.00 0.00 178.83 177.27 3d4x h ALA 128 N 1.31 1.37 -0.22 3.38 0.00 -0.81 0.14 119.26 124.44 3d4x h ALA 128 Ca 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3d4x h ALA 128 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3d4x h ALA 128 CO -0.15 0.47 -0.02 0.00 0.00 0.00 0.00 179.25 179.56 3d4x h ALA 129 N 1.47 0.30 -0.36 0.00 0.00 -1.22 -2.42 119.26 117.03 3d4x h ALA 129 Ca 0.18 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3d4x h ALA 129 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3d4x h ALA 129 CO -0.02 0.04 0.06 0.74 0.00 0.00 0.00 179.25 180.07 3d4x h PHE 130 N 0.15 0.55 -0.34 0.00 0.04 -0.61 -2.19 116.94 114.53 3d4x h PHE 130 Ca 0.06 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3d4x h PHE 130 Cb 0.43 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 3d4x h PHE 130 CO 0.04 0.50 0.20 1.96 -0.60 0.00 0.00 178.31 180.41 3d4x h GLN 131 N 0.53 0.47 -0.62 1.51 1.08 -0.64 -1.58 115.11 115.86 3d4x h GLN 131 Ca 0.12 -0.05 0.09 0.00 -1.45 0.00 0.00 58.65 57.36 3d4x h GLN 131 Cb 0.25 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.51 3d4x h GLN 131 CO 0.00 0.37 0.26 0.87 -0.95 0.00 0.00 178.83 179.38 3d4x h LYS 132 N 0.44 0.44 0.65 1.46 1.57 -0.91 0.11 116.57 120.33 3d4x h LYS 132 Ca 0.12 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3d4x h LYS 132 Cb 0.03 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.25 3d4x h LYS 132 CO -0.02 0.29 -0.31 0.28 -0.57 0.00 0.00 179.45 179.12 3d4x h VAL 133 N 0.46 0.31 -0.58 0.50 2.07 -1.25 -0.95 116.25 116.81 3d4x h VAL 133 Ca 0.31 -0.16 0.12 0.00 0.82 0.00 0.00 66.70 67.79 3d4x h VAL 133 Cb 0.36 0.36 -0.10 0.00 -1.52 0.00 0.00 31.29 30.39 3d4x h VAL 133 CO -0.29 0.02 -0.07 0.58 0.02 0.00 0.00 177.57 177.84 3d4x h VAL 134 N -0.98 0.48 -0.74 2.57 2.07 -1.19 0.15 116.25 118.61 3d4x h VAL 134 Ca -0.09 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3d4x h VAL 134 Cb 0.70 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3d4x h VAL 134 CO 0.15 0.01 0.31 0.00 0.02 0.00 0.00 177.57 178.06 3d4x h ALA 135 N 1.55 1.16 -0.41 1.67 0.00 -0.70 -1.78 119.26 120.75 3d4x h ALA 135 Ca 0.29 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3d4x h ALA 135 Cb 0.46 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3d4x h ALA 135 CO -0.54 0.61 -0.21 0.78 0.00 0.00 0.00 179.25 179.90 3d4x h GLY 136 N 1.11 0.88 1.07 0.00 0.00 -0.27 0.11 103.07 105.98 3d4x h GLY 136 Ca 0.25 -0.75 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 3d4x h GLY 136 CO -0.02 0.68 0.01 -2.08 0.00 0.00 0.00 176.54 175.13 3d4x h VAL 137 N 0.71 1.27 -0.54 4.60 2.07 -0.61 -0.00 116.25 123.75 3d4x h VAL 137 Ca 0.10 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 3d4x h VAL 137 Cb 0.73 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3d4x h VAL 137 CO 0.06 0.41 -0.03 0.00 0.02 0.00 0.00 177.57 178.03 3d4x h ALA 138 N 0.99 0.73 -0.26 1.67 0.00 -1.14 -1.76 119.26 119.48 3d4x h ALA 138 Ca 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3d4x h ALA 138 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3d4x h ALA 138 CO 0.03 0.58 0.12 -0.91 0.00 0.00 0.00 179.25 179.06 3d4x h ASN 139 N 0.84 0.35 -0.55 0.00 2.35 -0.76 -2.83 115.58 115.00 3d4x h ASN 139 Ca 0.15 -0.15 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 3d4x h ASN 139 Cb 0.58 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 3d4x h ASN 139 CO 0.03 0.40 0.37 0.00 -1.65 0.00 0.00 177.43 176.58 3d4x h ALA 140 N 0.97 1.96 0.00 -0.83 0.00 -0.87 -2.72 119.26 117.76 3d4x h ALA 140 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3d4x h ALA 140 Cb 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3d4x h ALA 140 CO -0.01 -0.06 -0.41 -0.07 0.00 0.00 0.00 179.25 178.69 3d4x h LEU 141 N 0.43 0.00 -0.53 0.00 3.38 -1.22 -3.21 115.31 114.16 3d4x h LEU 141 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3d4x h LEU 141 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3d4x h LEU 141 CO -0.07 0.07 -0.44 0.00 0.09 0.00 0.00 178.44 178.09 3d4x n ALA 142 N -2.15 3.49 -0.02 1.53 0.00 -1.04 -4.41 120.51 117.91 3d4x n ALA 142 Ca 0.02 -0.49 -0.11 0.00 0.00 0.00 0.00 53.44 52.85 3d4x n ALA 142 Cb 0.57 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 19.05 3d4x n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3d4x h HIS 143 N 1.29 0.83 -0.31 0.00 6.17 -1.52 -2.93 115.15 118.67 3d4x h HIS 143 Ca 0.00 -0.30 0.00 0.00 0.71 0.00 0.00 60.37 60.78 3d4x h HIS 143 Cb 0.58 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.36 3d4x h HIS 143 CO 0.00 1.07 0.00 1.63 0.71 0.00 0.00 177.93 181.34 3d4x n LYS 144 N -3.96 2.06 -2.28 5.26 4.76 -1.26 -4.91 118.16 117.83 3d4x n LYS 144 Ca -0.04 -1.27 -0.41 0.00 -2.87 0.00 0.00 58.31 53.73 3d4x n LYS 144 Cb 0.63 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.36 3d4x n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3d4x s TYR 145 N -1.62 3.31 0.00 2.13 2.02 -1.11 -4.70 117.35 117.38 3d4x s TYR 145 Ca 0.23 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.37 3d4x s TYR 145 Cb 0.14 -3.51 0.00 0.00 -0.40 0.00 0.00 41.96 38.18 3d4x s TYR 145 CO 0.13 -1.41 0.00 -2.39 -1.57 0.00 0.00 175.55 170.31