#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 2.97 0.98 5.98 1.43 -1.26 -5.10 118.68 123.67 3d4x s LEU 3 Ca 0.00 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 3d4x s LEU 3 Cb 0.00 -1.67 0.18 0.00 0.03 0.00 0.00 46.19 44.73 3d4x s LEU 3 CO 0.00 0.24 1.09 0.42 0.23 0.00 0.00 176.35 178.33 3d4x s THR 4 N -0.10 2.33 0.32 5.49 -4.23 -1.26 -4.79 115.64 113.39 3d4x s THR 4 Ca -0.00 0.11 -0.00 0.00 -1.18 0.00 0.00 61.69 60.61 3d4x s THR 4 Cb -0.13 -2.34 0.26 0.00 1.34 0.00 0.00 72.50 71.63 3d4x s THR 4 CO 0.03 -0.14 1.98 0.00 -0.54 0.00 0.00 174.62 175.95 3d4x h ALA 5 N -1.94 1.46 -0.28 3.99 0.00 -2.00 -1.85 119.26 118.64 3d4x h ALA 5 Ca -0.51 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 3d4x h ALA 5 Cb 1.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3d4x h ALA 5 CO 0.50 0.49 -0.24 1.49 0.00 0.00 0.00 179.25 181.49 3d4x h GLU 6 N 1.03 0.66 -0.94 0.00 4.81 -1.99 -2.56 114.58 115.59 3d4x h GLU 6 Ca 0.29 -0.33 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3d4x h GLU 6 Cb -0.09 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.24 3d4x h GLU 6 CO -0.07 0.93 0.60 0.93 -0.73 0.00 0.00 179.01 180.68 3d4x h GLU 7 N 0.39 1.10 -0.47 1.92 5.08 -1.79 0.13 114.58 120.94 3d4x h GLU 7 Ca 0.05 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3d4x h GLU 7 Cb 0.79 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3d4x h GLU 7 CO 0.06 0.73 0.30 0.87 -1.00 0.00 0.00 179.01 179.97 3d4x h LYS 8 N 1.13 0.60 -0.22 2.33 1.57 -1.29 -0.90 116.57 119.79 3d4x h LYS 8 Ca 0.39 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.16 3d4x h LYS 8 Cb 0.09 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3d4x h LYS 8 CO -0.15 0.40 0.07 0.78 -0.57 0.00 0.00 179.45 179.98 3d4x h GLY 9 N 0.62 0.26 0.62 3.86 0.00 -0.87 0.11 103.07 107.67 3d4x h GLY 9 Ca 0.18 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.53 3d4x h GLY 9 CO -0.05 0.02 0.23 1.41 0.00 0.00 0.00 176.54 178.15 3d4x h LEU 10 N 0.17 0.30 0.29 3.11 3.38 -0.43 0.25 115.31 122.38 3d4x h LEU 10 Ca 0.09 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3d4x h LEU 10 Cb 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3d4x h LEU 10 CO -0.10 0.20 -0.14 0.58 0.09 0.00 0.00 178.44 179.07 3d4x h VAL 11 N 0.45 0.48 -0.61 1.22 2.07 -0.98 -2.80 116.25 116.08 3d4x h VAL 11 Ca 0.24 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 66.98 3d4x h VAL 11 Cb 0.20 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3d4x h VAL 11 CO -0.20 0.11 0.41 0.78 0.02 0.00 0.00 177.57 178.69 3d4x h ASN 12 N -0.97 0.56 -0.19 0.57 2.35 -1.02 -0.03 115.58 116.85 3d4x h ASN 12 Ca -0.04 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3d4x h ASN 12 Cb 0.49 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 3d4x h ASN 12 CO 0.07 0.37 -0.01 1.23 -1.65 0.00 0.00 177.43 177.44 3d4x h GLY 13 N 0.64 0.18 1.13 2.83 0.00 -0.54 -2.49 103.07 104.82 3d4x h GLY 13 Ca 0.26 0.03 -0.25 0.00 0.00 0.00 0.00 47.33 47.36 3d4x h GLY 13 CO -0.08 -0.04 -1.01 -2.00 0.00 0.00 0.00 176.54 173.41 3d4x h LEU 14 N 0.06 0.84 -1.37 3.11 5.85 -1.20 -3.34 115.31 119.25 3d4x h LEU 14 Ca 0.09 -0.77 0.06 0.00 0.84 0.00 0.00 57.88 58.10 3d4x h LEU 14 Cb 0.12 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3d4x h LEU 14 CO -0.16 1.50 0.48 -0.25 -0.34 0.00 0.00 178.44 179.67 3d4x h TRP 15 N 0.26 0.78 -0.19 1.25 2.91 -1.02 0.03 115.95 119.97 3d4x h TRP 15 Ca -0.14 0.02 0.06 0.00 1.13 0.00 0.00 58.89 59.96 3d4x h TRP 15 Cb 1.68 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 30.07 3d4x h TRP 15 CO 0.12 0.42 0.29 0.78 -1.03 0.00 0.00 178.44 179.02 3d4x h GLY 16 N 0.78 0.00 -0.28 2.65 0.00 -1.57 -1.63 103.07 103.02 3d4x h GLY 16 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3d4x h GLY 16 CO -0.10 0.00 -0.70 0.28 0.00 0.00 0.00 176.54 176.02 3d4x n LYS 17 N -3.50 0.53 -2.35 4.80 5.02 -0.02 -4.97 118.16 117.68 3d4x n LYS 17 Ca 0.02 -0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 55.48 3d4x n LYS 17 Cb 0.41 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 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 -2.76 3.43 -1.00 -0.18 1.01 -0.62 -4.98 120.40 115.31 3d4x s VAL 18 Ca 0.14 1.25 -0.20 0.00 0.00 0.00 0.00 61.98 63.17 3d4x s VAL 18 Cb 0.17 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.86 3d4x s VAL 18 CO 0.71 0.22 1.30 0.21 0.00 0.00 0.00 175.10 177.54 3d4x s ASN 19 N -0.04 6.63 0.64 3.32 3.84 -1.26 -4.87 114.94 123.21 3d4x s ASN 19 Ca 0.52 -1.95 0.37 0.00 0.21 0.00 0.00 52.86 52.01 3d4x s ASN 19 Cb -0.34 -2.47 2.10 0.00 -0.55 0.00 0.00 41.25 39.99 3d4x s ASN 19 CO 0.39 -1.19 2.26 0.58 -2.79 0.00 0.00 177.10 176.34 3d4x h VAL 20 N 6.05 0.19 0.10 -5.21 2.07 -1.93 0.51 116.25 118.03 3d4x h VAL 20 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 3d4x h VAL 20 Cb 1.00 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3d4x h VAL 20 CO 1.25 0.00 -0.05 0.44 0.02 0.00 0.00 177.57 179.23 3d4x h ASP 21 N 0.00 -0.12 0.83 0.57 3.32 -1.94 -3.21 116.42 115.87 3d4x h ASP 21 Ca 0.01 -0.45 -0.21 0.00 0.02 0.00 0.00 57.03 56.41 3d4x h ASP 21 Cb 0.14 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3d4x h ASP 21 CO -0.00 0.45 -0.96 -0.33 -1.72 0.00 0.00 179.24 176.67 3d4x h GLU 22 N -0.75 0.07 -0.12 3.56 5.08 -1.74 -3.31 114.58 117.38 3d4x h GLU 22 Ca -0.01 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.09 3d4x h GLU 22 Cb 0.56 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3d4x h GLU 22 CO 0.02 0.97 -0.60 0.28 -1.00 0.00 0.00 179.01 178.69 3d4x h VAL 23 N 0.03 1.36 -0.30 3.13 2.07 -1.09 -3.05 116.25 118.38 3d4x h VAL 23 Ca -0.03 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.57 3d4x h VAL 23 Cb 1.67 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 3d4x h VAL 23 CO 0.13 0.58 0.20 1.23 0.02 0.00 0.00 177.57 179.73 3d4x h GLY 24 N 1.26 0.43 1.62 2.17 0.00 -1.64 -1.76 103.07 105.15 3d4x h GLY 24 Ca -0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 3d4x h GLY 24 CO 0.10 0.16 -0.48 -1.33 0.00 0.00 0.00 176.54 175.00 3d4x h GLY 25 N 0.40 0.44 0.88 4.60 0.00 -1.68 -2.68 103.07 105.03 3d4x h GLY 25 Ca 0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 3d4x h GLY 25 CO -0.02 0.43 0.02 -2.09 0.00 0.00 0.00 176.54 174.88 3d4x h GLU 26 N 0.33 0.51 -0.13 4.80 4.81 -1.42 -0.45 114.58 123.03 3d4x h GLU 26 Ca 0.02 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3d4x h GLU 26 Cb 0.97 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 3d4x h GLU 26 CO 0.08 0.64 -0.04 0.00 -0.73 0.00 0.00 179.01 178.97 3d4x h ALA 27 N 0.85 0.18 -0.70 2.92 0.00 -1.31 -1.17 119.26 120.03 3d4x h ALA 27 Ca 0.09 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3d4x h ALA 27 Cb 0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3d4x h ALA 27 CO 0.01 -0.07 0.20 1.25 0.00 0.00 0.00 179.25 180.65 3d4x h LEU 28 N -0.06 1.04 0.32 0.00 5.85 -1.57 -0.95 115.31 119.94 3d4x h LEU 28 Ca 0.03 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3d4x h LEU 28 Cb 0.47 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3d4x h LEU 28 CO 0.01 0.98 -0.37 1.23 -0.34 0.00 0.00 178.44 179.96 3d4x h GLY 29 N 1.04 -0.84 1.87 3.75 0.00 -1.00 -2.64 103.07 105.24 3d4x h GLY 29 Ca 0.22 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.97 3d4x h GLY 29 CO -0.00 -0.30 0.04 3.21 0.00 0.00 0.00 176.54 179.49 3d4x h ARG 30 N -0.73 0.18 -0.42 4.80 3.08 -1.19 -1.68 114.38 118.42 3d4x h ARG 30 Ca -0.02 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.09 3d4x h ARG 30 Cb 0.67 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.62 3d4x h ARG 30 CO -0.09 0.16 0.04 1.25 -1.07 0.00 0.00 179.97 180.26 3d4x h LEU 31 N 0.18 -0.09 -0.75 3.04 5.85 -0.86 0.22 115.31 122.90 3d4x h LEU 31 Ca 0.05 0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 3d4x h LEU 31 Cb 0.06 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3d4x h LEU 31 CO -0.00 -0.01 -0.62 -0.07 -0.34 0.00 0.00 178.44 177.39 3d4x h LEU 32 N 0.16 0.00 -0.00 2.25 3.38 -1.03 -0.75 115.31 119.33 3d4x h LEU 32 Ca 0.21 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3d4x h LEU 32 Cb 0.28 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3d4x h LEU 32 CO -0.31 0.63 -0.05 0.58 0.09 0.00 0.00 178.44 179.37 3d4x h VAL 33 N 0.00 1.59 0.02 1.22 2.07 -0.99 -3.33 116.25 116.84 3d4x h VAL 33 Ca -0.01 -1.82 -0.20 0.00 0.82 0.00 0.00 66.70 65.50 3d4x h VAL 33 Cb 1.10 2.80 0.02 0.00 -1.52 0.00 0.00 31.29 33.69 3d4x h VAL 33 CO 0.08 0.48 -0.79 0.58 0.02 0.00 0.00 177.57 177.94 3d4x h VAL 34 N -0.70 1.38 -3.25 2.57 2.07 -0.54 -3.37 116.25 114.41 3d4x h VAL 34 Ca -0.01 -2.19 -0.65 0.00 0.82 0.00 0.00 66.70 64.67 3d4x h VAL 34 Cb 0.81 2.61 -0.40 0.00 -1.52 0.00 0.00 31.29 32.79 3d4x h VAL 34 CO 0.01 0.65 -0.50 -0.31 0.02 0.00 0.00 177.57 177.45 3d4x s TYR 35 N -3.15 3.49 -0.48 1.57 2.02 -0.29 -4.97 117.35 115.55 3d4x s TYR 35 Ca -0.12 -3.19 0.25 0.00 -0.37 0.00 0.00 57.07 53.64 3d4x s TYR 35 Cb 0.04 -2.87 0.98 0.00 -0.40 0.00 0.00 41.96 39.71 3d4x s TYR 35 CO 0.86 -0.66 1.74 -1.35 -1.57 0.00 0.00 175.55 174.56 3d4x h PRO 36 N 5.97 0.00 0.00 -1.71 0.11 -1.74 -2.48 132.00 132.16 3d4x h PRO 36 Ca 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3d4x h PRO 36 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3d4x h PRO 36 CO 0.73 0.00 -0.10 0.11 -0.21 0.00 0.00 178.00 178.53 3d4x h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -2.60 115.95 112.16 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 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.66 3d4x h TRP 37 CO 0.00 0.10 -0.12 1.79 0.09 0.00 0.00 178.44 180.30 3d4x h THR 38 N 0.00 0.74 -0.12 0.12 1.35 -1.78 -2.52 112.91 110.70 3d4x h THR 38 Ca -0.00 -0.47 0.03 0.00 -0.55 0.00 0.00 66.41 65.43 3d4x h THR 38 Cb 0.28 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3d4x h THR 38 CO 0.01 0.12 0.30 1.56 -0.25 0.00 0.00 175.52 177.26 3d4x h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.68 -2.45 115.11 119.90 3d4x h GLN 39 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3d4x h GLN 39 Cb 0.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3d4x h GLN 39 CO 0.02 0.00 -0.22 -0.09 -0.67 0.00 0.00 178.83 177.87 3d4x h ARG 40 N 0.00 0.00 0.00 1.46 2.43 -1.65 -2.32 114.38 114.30 3d4x h ARG 40 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3d4x h ARG 40 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3d4x h ARG 40 CO -0.00 0.22 -0.26 0.74 -1.51 0.00 0.00 179.97 179.16 3d4x h PHE 41 N 0.00 0.00 -0.79 2.20 0.04 -1.67 -3.37 116.94 113.35 3d4x h PHE 41 Ca -0.00 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.20 3d4x h PHE 41 Cb 0.39 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 38.17 3d4x h PHE 41 CO 0.00 0.00 -0.33 1.19 -0.60 0.00 0.00 178.31 178.57 3d4x n PHE 42 N -2.50 2.78 -0.31 -0.55 3.72 -0.87 -4.81 117.46 114.93 3d4x n PHE 42 Ca 0.04 -2.41 -0.00 0.00 -0.05 0.00 0.00 57.45 55.03 3d4x n PHE 42 Cb 0.47 -0.65 0.18 0.00 -0.94 0.00 0.00 39.48 38.55 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 2.07 1.15 0.00 -1.08 5.08 -1.73 -2.23 114.58 117.84 3d4x h GLU 43 Ca 0.42 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3d4x h GLU 43 Cb 1.34 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3d4x h GLU 43 CO 0.96 0.76 0.00 -1.13 -1.00 0.00 0.00 179.01 178.60 3d4x n SER 44 N -4.41 0.00 0.03 1.42 3.41 -1.26 -3.62 113.62 109.18 3d4x n SER 44 Ca 0.11 -1.81 0.12 0.00 -0.26 0.00 0.00 58.87 57.03 3d4x n SER 44 Cb 0.05 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.59 0.27 0.00 7.33 3.01 -0.84 -5.05 117.46 121.59 3d4x n PHE 45 Ca 0.04 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.58 3d4x n PHE 45 Cb 0.02 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.02 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 1.42 0.69 3.67 1.37 0.00 -1.24 -4.65 105.19 106.46 3d4x n GLY 46 Ca 0.05 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 7.01 -0.21 1.61 2.15 -1.26 -4.91 116.67 117.06 3d4x s ASP 47 Ca 0.00 1.25 0.20 0.00 0.43 0.00 0.00 52.55 54.43 3d4x s ASP 47 Cb 0.00 -2.48 0.48 0.00 -0.30 0.00 0.00 42.92 40.62 3d4x s ASP 47 CO 0.00 -0.46 1.14 0.18 -0.17 0.00 0.00 175.17 175.86 3d4x n LEU 48 N 5.45 2.03 -0.41 -1.34 4.77 -1.26 -4.27 117.00 121.98 3d4x n LEU 48 Ca 0.06 -3.12 0.11 0.00 -0.03 0.00 0.00 56.01 53.03 3d4x n LEU 48 Cb 0.48 0.19 0.46 0.00 -2.33 0.00 0.00 43.42 42.22 3d4x n LEU 48 CO 0.49 1.11 0.82 -1.54 -1.33 0.00 0.00 177.39 176.94 3d4x n SER 49 N -0.41 1.25 -3.54 -1.43 3.41 -1.26 -4.79 113.62 106.85 3d4x n SER 49 Ca 0.13 -1.59 -0.07 0.00 -0.26 0.00 0.00 58.87 57.09 3d4x n SER 49 Cb 0.89 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.76 3d4x n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3d4x s SER 50 N -1.66 -0.29 0.28 4.04 1.04 -1.26 -5.00 113.70 110.86 3d4x s SER 50 Ca 0.33 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.75 3d4x s SER 50 Cb 0.17 0.31 0.55 0.00 0.10 0.00 0.00 66.02 67.16 3d4x s SER 50 CO 0.27 -0.51 1.82 0.00 0.98 0.00 0.00 173.24 175.80 3d4x h ALA 51 N 2.00 1.48 -0.44 5.32 0.00 -1.97 -1.61 119.26 124.03 3d4x h ALA 51 Ca -0.19 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3d4x h ALA 51 Cb 1.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3d4x h ALA 51 CO 0.28 0.18 -0.09 -0.44 0.00 0.00 0.00 179.25 179.19 3d4x h ASP 52 N 0.94 0.77 -0.16 0.00 3.32 -1.99 -1.20 116.42 118.10 3d4x h ASP 52 Ca 0.49 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 3d4x h ASP 52 Cb 0.51 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3d4x h ASP 52 CO -0.28 0.89 -0.18 0.00 -1.72 0.00 0.00 179.24 177.94 3d4x h ALA 53 N 1.19 0.23 -0.38 3.45 0.00 -1.77 -2.90 119.26 119.08 3d4x h ALA 53 Ca 0.12 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3d4x h ALA 53 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3d4x h ALA 53 CO 0.03 0.15 0.24 0.82 0.00 0.00 0.00 179.25 180.50 3d4x h ILE 54 N 0.03 1.07 0.00 0.00 2.04 -1.23 -2.33 117.51 117.10 3d4x h ILE 54 Ca 0.02 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 3d4x h ILE 54 Cb 0.73 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3d4x h ILE 54 CO 0.04 0.09 -0.40 0.24 0.00 0.00 0.00 178.15 178.13 3d4x h MET 55 N 0.49 0.00 -0.28 2.37 2.86 -1.26 -3.02 114.93 116.09 3d4x h MET 55 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3d4x h MET 55 Cb -0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.63 3d4x h MET 55 CO -0.05 0.40 0.00 -1.13 1.06 0.00 0.00 176.91 177.18 3d4x n SER 56 N -3.58 3.22 -4.67 1.22 3.41 -1.09 -4.95 113.62 107.18 3d4x n SER 56 Ca -0.00 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.21 3d4x n SER 56 Cb 0.51 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.63 6.71 0.21 4.04 3.84 -0.88 -4.93 114.94 122.30 3d4x s ASN 57 Ca 0.36 2.18 -0.10 0.00 0.21 0.00 0.00 52.86 55.51 3d4x s ASN 57 Cb 0.22 -2.54 0.20 0.00 -0.55 0.00 0.00 41.25 38.58 3d4x s ASN 57 CO 0.31 -0.88 1.85 0.00 -2.79 0.00 0.00 177.10 175.59 3d4x h ALA 58 N 9.11 0.93 -0.26 1.71 0.00 -1.91 -2.40 119.26 126.45 3d4x h ALA 58 Ca -0.38 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3d4x h ALA 58 Cb 1.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3d4x h ALA 58 CO 0.95 0.22 -0.38 0.87 0.00 0.00 0.00 179.25 180.91 3d4x h LYS 59 N 0.87 0.60 -0.31 0.00 1.79 -1.92 -0.52 116.57 117.07 3d4x h LYS 59 Ca 0.29 -0.29 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 3d4x h LYS 59 Cb 0.03 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 3d4x h LYS 59 CO -0.11 0.88 0.05 0.28 -1.08 0.00 0.00 179.45 179.47 3d4x h VAL 60 N 0.50 0.84 -0.38 0.50 2.07 -1.79 -1.24 116.25 116.75 3d4x h VAL 60 Ca 0.05 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3d4x h VAL 60 Cb 0.88 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3d4x h VAL 60 CO 0.08 0.03 0.14 0.11 0.02 0.00 0.00 177.57 177.94 3d4x h LYS 61 N 0.16 0.58 0.09 1.57 1.57 -1.15 -0.65 116.57 118.74 3d4x h LYS 61 Ca 0.15 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3d4x h LYS 61 Cb 0.16 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3d4x h LYS 61 CO -0.20 0.57 -0.06 0.00 -0.57 0.00 0.00 179.45 179.19 3d4x h ALA 62 N 0.98 -0.14 -0.77 3.86 0.00 -0.98 -2.34 119.26 119.88 3d4x h ALA 62 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3d4x h ALA 62 Cb 0.22 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3d4x h ALA 62 CO -0.01 -0.58 0.45 1.25 0.00 0.00 0.00 179.25 180.36 3d4x h HIS 63 N -0.14 1.03 -0.88 0.00 -0.00 -1.18 -2.38 115.15 111.60 3d4x h HIS 63 Ca -0.01 -0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.52 3d4x h HIS 63 Cb 0.12 -0.34 -0.10 0.00 -0.00 0.00 0.00 27.41 27.09 3d4x h HIS 63 CO -0.08 0.71 0.44 0.78 -0.00 0.00 0.00 177.93 179.78 3d4x h GLY 64 N 1.06 1.47 0.90 5.26 0.00 -1.00 0.14 103.07 110.90 3d4x h GLY 64 Ca 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3d4x h GLY 64 CO -0.05 -0.11 0.10 0.50 0.00 0.00 0.00 176.54 176.98 3d4x h LYS 65 N 0.57 0.44 -0.89 4.80 1.57 -0.91 -1.45 116.57 120.71 3d4x h LYS 65 Ca 0.50 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 59.22 3d4x h LYS 65 Cb 0.80 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 3d4x h LYS 65 CO -0.41 0.49 0.58 0.87 -0.57 0.00 0.00 179.45 180.41 3d4x h LYS 66 N 0.31 1.09 -0.37 3.15 1.57 -1.05 -0.47 116.57 120.80 3d4x h LYS 66 Ca 0.09 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3d4x h LYS 66 Cb 0.23 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3d4x h LYS 66 CO -0.00 0.72 0.02 0.28 -0.57 0.00 0.00 179.45 179.90 3d4x h VAL 67 N 1.13 1.25 0.00 0.50 2.07 -0.78 -2.68 116.25 117.74 3d4x h VAL 67 Ca 0.35 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 3d4x h VAL 67 Cb -0.01 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3d4x h VAL 67 CO -0.10 0.31 -0.34 -0.07 0.02 0.00 0.00 177.57 177.40 3d4x h LEU 68 N 0.47 0.00 -0.55 2.57 4.07 -0.89 -2.64 115.31 118.35 3d4x h LEU 68 Ca 0.11 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.97 3d4x h LEU 68 Cb 0.42 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 3d4x h LEU 68 CO 0.01 0.34 -0.04 0.78 -1.08 0.00 0.00 178.44 178.45 3d4x h ASN 69 N 0.00 0.98 0.54 -0.43 2.35 -0.94 -1.75 115.58 116.33 3d4x h ASN 69 Ca -0.00 -0.32 -0.08 0.00 -0.55 0.00 0.00 56.30 55.34 3d4x h ASN 69 Cb 0.83 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3d4x h ASN 69 CO 0.04 1.07 -0.39 0.77 -1.65 0.00 0.00 177.43 177.27 3d4x h SER 70 N 0.87 0.00 -0.28 5.81 4.64 -1.42 -0.93 113.55 122.24 3d4x h SER 70 Ca 0.15 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 3d4x h SER 70 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3d4x h SER 70 CO 0.04 0.39 -0.34 0.15 -0.87 0.00 0.00 176.83 176.20 3d4x h PHE 71 N 0.00 0.95 -0.50 4.77 3.57 -1.37 -2.03 116.94 122.33 3d4x h PHE 71 Ca -0.00 -0.26 -0.04 0.00 3.53 0.00 0.00 57.97 61.19 3d4x h PHE 71 Cb 0.77 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3d4x h PHE 71 CO 0.00 1.03 0.13 0.77 -2.23 0.00 0.00 178.31 178.01 3d4x h SER 72 N 0.67 0.70 -0.11 0.41 0.02 -0.65 -2.58 113.55 112.01 3d4x h SER 72 Ca 0.07 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 3d4x h SER 72 Cb 0.89 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 3d4x h SER 72 CO 0.08 0.69 -0.38 0.44 -1.14 0.00 0.00 176.83 176.52 3d4x h ASP 73 N 0.74 0.67 -0.70 3.07 3.32 -1.12 -2.63 116.42 119.75 3d4x h ASP 73 Ca 0.17 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.95 3d4x h ASP 73 Cb 0.26 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3d4x h ASP 73 CO -0.00 0.98 0.46 1.23 -1.72 0.00 0.00 179.24 180.19 3d4x h GLY 74 N 1.01 0.97 2.00 2.75 0.00 -1.24 -2.45 103.07 106.11 3d4x h GLY 74 Ca 0.05 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 3d4x h GLY 74 CO 0.08 0.31 -0.34 1.41 0.00 0.00 0.00 176.54 178.00 3d4x h LEU 75 N 0.87 0.00 -0.34 3.11 3.38 -1.10 -1.40 115.31 119.83 3d4x h LEU 75 Ca 0.27 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.08 3d4x h LEU 75 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3d4x h LEU 75 CO -0.07 0.34 -0.44 0.11 0.09 0.00 0.00 178.44 178.46 3d4x h LYS 76 N 0.00 0.90 -0.96 1.13 1.79 -1.29 -3.31 116.57 114.83 3d4x h LYS 76 Ca -0.00 -0.52 -0.58 0.00 -2.18 0.00 0.00 60.65 57.37 3d4x h LYS 76 Cb 0.87 0.04 -0.29 0.00 -1.58 0.00 0.00 32.23 31.26 3d4x h LYS 76 CO 0.04 1.16 0.68 0.09 -1.08 0.00 0.00 179.45 180.35 3d4x n ASN 77 N -4.05 5.56 0.28 0.86 3.02 -0.94 -4.75 115.26 115.24 3d4x n ASN 77 Ca -0.03 -3.71 0.13 0.00 -0.03 0.00 0.00 54.58 50.94 3d4x n ASN 77 Cb 0.58 -0.88 0.81 0.00 -0.61 0.00 0.00 39.78 39.68 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 1.04 0.67 -0.01 2.41 6.09 -1.37 0.62 117.51 126.96 3d4x h ILE 78 Ca 0.60 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 64.00 3d4x h ILE 78 Cb 1.82 1.05 0.00 0.00 0.47 0.00 0.00 36.82 40.16 3d4x h ILE 78 CO 1.29 0.02 -0.15 0.47 -3.07 0.00 0.00 178.15 176.71 3d4x n ASP 79 N -4.01 0.83 -3.14 2.19 9.92 -1.26 -3.92 116.55 117.16 3d4x n ASP 79 Ca -0.03 -0.85 -0.17 0.00 -0.53 0.00 0.00 54.79 53.21 3d4x n ASP 79 Cb 0.11 0.03 -0.02 0.00 -0.64 0.00 0.00 41.12 40.59 3d4x n ASP 79 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3d4x n ASP 80 N -0.67 0.75 -0.25 -2.24 2.03 0.18 -4.93 116.55 111.41 3d4x n ASP 80 Ca 0.14 -3.02 -0.06 0.00 0.52 0.00 0.00 54.79 52.38 3d4x n ASP 80 Cb 0.31 -0.52 0.05 0.00 -0.72 0.00 0.00 41.12 40.24 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 3.00 0.84 -0.56 -2.67 3.38 -1.58 -1.21 115.31 116.50 3d4x h LEU 81 Ca 0.08 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3d4x h LEU 81 Cb 0.99 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 3d4x h LEU 81 CO 0.49 0.67 0.13 0.11 0.09 0.00 0.00 178.44 179.93 3d4x h LYS 82 N 0.94 0.27 -0.40 1.13 1.57 -1.89 -1.99 116.57 116.19 3d4x h LYS 82 Ca 0.24 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 3d4x h LYS 82 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3d4x h LYS 82 CO -0.04 0.18 0.02 0.78 -0.57 0.00 0.00 179.45 179.82 3d4x h GLY 83 N 0.27 0.75 2.00 3.86 0.00 -1.88 -2.74 103.07 105.34 3d4x h GLY 83 Ca 0.29 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 3d4x h GLY 83 CO -0.36 0.50 -0.16 0.00 0.00 0.00 0.00 176.54 176.52 3d4x h ALA 84 N 0.90 1.57 -0.17 3.60 0.00 -0.83 -3.18 119.26 121.16 3d4x h ALA 84 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3d4x h ALA 84 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3d4x h ALA 84 CO 0.02 0.20 0.00 1.19 0.00 0.00 0.00 179.25 180.65 3d4x n PHE 85 N -4.11 0.21 -0.36 0.00 3.72 -0.78 -4.66 117.46 111.48 3d4x n PHE 85 Ca -0.02 -0.19 0.01 0.00 -0.05 0.00 0.00 57.45 57.20 3d4x n PHE 85 Cb 0.23 -0.01 0.15 0.00 -0.94 0.00 0.00 39.48 38.92 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 2.55 1.33 -0.33 4.37 0.00 -1.46 0.22 119.26 125.93 3d4x h ALA 86 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3d4x h ALA 86 Cb 0.64 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3d4x h ALA 86 CO 0.00 0.47 -0.18 0.87 0.00 0.00 0.00 179.25 180.41 3d4x h LYS 87 N 1.19 0.71 -0.09 0.00 1.79 -1.84 -2.77 116.57 115.57 3d4x h LYS 87 Ca 0.41 -0.32 -0.10 0.00 -2.18 0.00 0.00 60.65 58.45 3d4x h LYS 87 Cb 0.08 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 3d4x h LYS 87 CO -0.15 0.93 -0.42 -0.07 -1.08 0.00 0.00 179.45 178.66 3d4x h LEU 88 N 0.48 0.21 -0.12 2.94 3.38 -1.68 -2.43 115.31 118.09 3d4x h LEU 88 Ca 0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3d4x h LEU 88 Cb 0.72 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3d4x h LEU 88 CO 0.05 0.61 0.06 -1.28 0.09 0.00 0.00 178.44 177.97 3d4x h SER 89 N 0.17 0.16 -0.53 -0.43 0.87 -0.52 -1.93 113.55 111.33 3d4x h SER 89 Ca 0.01 -0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.53 3d4x h SER 89 Cb 0.81 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.67 3d4x h SER 89 CO 0.06 0.23 0.21 -0.33 -0.53 0.00 0.00 176.83 176.47 3d4x h GLU 90 N 0.07 0.39 0.04 2.24 5.08 -1.40 -1.56 114.58 119.45 3d4x h GLU 90 Ca 0.04 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3d4x h GLU 90 Cb 0.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3d4x h GLU 90 CO -0.01 0.26 -0.17 1.25 -1.00 0.00 0.00 179.01 179.34 3d4x h LEU 91 N 0.41 -0.49 -0.99 1.33 5.85 -1.30 0.29 115.31 120.41 3d4x h LEU 91 Ca 0.25 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.96 3d4x h LEU 91 Cb 0.26 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3d4x h LEU 91 CO -0.24 -0.24 -0.19 0.45 -0.34 0.00 0.00 178.44 177.89 3d4x h HIS 92 N -0.30 0.57 0.04 1.25 3.86 -1.16 -0.68 115.15 118.73 3d4x h HIS 92 Ca 0.04 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3d4x h HIS 92 Cb 0.35 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3d4x h HIS 92 CO -0.21 0.67 -0.02 0.00 0.86 0.00 0.00 177.93 179.24 3d4x h ASP 94 N -0.12 0.30 0.14 0.00 3.32 -0.44 -2.72 116.42 116.90 3d4x h ASP 94 Ca -0.01 -0.26 -0.35 0.00 0.02 0.00 0.00 57.03 56.43 3d4x h ASP 94 Cb 0.05 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 3d4x h ASP 94 CO 0.01 0.48 -2.19 0.29 -1.72 0.00 0.00 179.24 176.11 3d4x n LYS 95 N -4.76 0.68 -0.00 3.56 4.76 -0.33 -4.62 118.16 117.44 3d4x n LYS 95 Ca -0.04 0.13 0.09 0.00 -2.87 0.00 0.00 58.31 55.62 3d4x n LYS 95 Cb 0.19 -1.61 -0.12 0.00 -1.84 0.00 0.00 35.03 31.64 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 -3.02 0.43 -3.94 -0.35 4.77 -0.76 -5.00 117.00 109.13 3d4x n LEU 96 Ca -0.32 -0.25 -0.31 0.00 -0.03 0.00 0.00 56.01 55.11 3d4x n LEU 96 Cb 1.08 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.19 3d4x n LEU 96 CO 0.40 0.11 0.09 1.41 -1.33 0.00 0.00 177.39 178.07 3d4x n HIS 97 N -1.79 -2.24 -2.91 -1.77 8.25 -0.19 -4.92 115.22 109.65 3d4x n HIS 97 Ca -0.00 0.89 -0.42 0.00 -0.26 0.00 0.00 57.72 57.93 3d4x n HIS 97 Cb 0.39 -3.84 -0.05 0.00 1.12 0.00 0.00 29.99 27.61 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 -3.29 4.72 -0.13 1.59 1.01 -0.78 -5.02 120.40 118.50 3d4x s VAL 98 Ca 0.68 1.10 -0.36 0.00 0.00 0.00 0.00 61.98 63.40 3d4x s VAL 98 Cb -0.34 -4.22 -0.13 0.00 0.00 0.00 0.00 36.38 31.69 3d4x s VAL 98 CO 0.83 -0.38 1.85 -0.67 0.00 0.00 0.00 175.10 176.73 3d4x n ASP 99 N 6.42 3.20 0.27 3.32 4.64 -1.26 -4.73 116.55 128.42 3d4x n ASP 99 Ca 0.04 1.00 0.18 0.00 -1.38 0.00 0.00 54.79 54.63 3d4x n ASP 99 Cb 0.48 -1.32 0.94 0.00 -1.04 0.00 0.00 41.12 40.19 3d4x n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3d4x h PRO 100 N 8.73 0.00 -1.05 -0.67 0.11 -1.97 -0.56 132.00 136.59 3d4x h PRO 100 Ca -0.48 0.00 0.31 0.00 0.11 0.00 0.00 66.00 65.94 3d4x h PRO 100 Cb 1.28 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 3d4x h PRO 100 CO 0.95 0.00 0.81 0.93 -0.21 0.00 0.00 178.00 180.48 3d4x h GLU 101 N 0.00 0.00 0.00 1.05 4.39 -1.98 -0.74 114.58 117.31 3d4x h GLU 101 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3d4x h GLU 101 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3d4x h GLU 101 CO -0.00 0.00 0.00 -0.91 -1.16 0.00 0.00 179.01 176.94 3d4x h ASN 102 N 0.00 0.00 -0.16 1.42 2.35 -1.47 -2.95 115.58 114.77 3d4x h ASN 102 Ca 0.50 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 56.14 3d4x h ASN 102 Cb 2.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.46 3d4x h ASN 102 CO -0.01 0.00 -0.26 -0.26 -1.65 0.00 0.00 177.43 175.25 3d4x h PHE 103 N 0.00 0.71 -0.81 1.19 0.04 -1.32 -2.92 116.94 113.84 3d4x h PHE 103 Ca 0.00 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.57 3d4x h PHE 103 Cb 0.57 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.51 3d4x h PHE 103 CO 0.00 0.83 0.39 0.00 -0.60 0.00 0.00 178.31 178.92 3d4x h ARG 104 N 0.55 1.16 -0.52 1.51 3.08 -1.63 -2.65 114.38 115.87 3d4x h ARG 104 Ca 0.07 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3d4x h ARG 104 Cb 0.74 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3d4x h ARG 104 CO 0.06 0.89 0.31 -0.07 -1.07 0.00 0.00 179.97 180.09 3d4x h LEU 105 N 1.15 0.62 -1.07 3.04 3.38 -1.58 -2.41 115.31 118.43 3d4x h LEU 105 Ca 0.28 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 3d4x h LEU 105 Cb 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3d4x h LEU 105 CO -0.04 0.49 -0.10 0.25 0.09 0.00 0.00 178.44 179.13 3d4x h LEU 106 N 0.69 0.52 -0.18 1.67 5.85 -1.45 -1.86 115.31 120.56 3d4x h LEU 106 Ca 0.19 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3d4x h LEU 106 Cb -0.02 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3d4x h LEU 106 CO -0.04 0.66 0.03 1.23 -0.34 0.00 0.00 178.44 179.99 3d4x h GLY 107 N 0.92 0.33 1.30 3.75 0.00 -1.22 -0.87 103.07 107.29 3d4x h GLY 107 Ca 0.09 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 3d4x h GLY 107 CO 0.03 0.20 -0.19 3.43 0.00 0.00 0.00 176.54 180.01 3d4x h ASN 108 N 0.10 0.81 -0.76 0.19 2.35 -1.40 0.35 115.58 117.22 3d4x h ASN 108 Ca 0.06 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 3d4x h ASN 108 Cb 0.31 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 3d4x h ASN 108 CO 0.00 0.99 0.40 0.58 -1.65 0.00 0.00 177.43 177.76 3d4x h VAL 109 N 0.71 1.23 -0.33 2.81 2.07 -1.24 0.34 116.25 121.85 3d4x h VAL 109 Ca 0.10 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3d4x h VAL 109 Cb 0.70 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3d4x h VAL 109 CO 0.05 0.27 0.09 0.25 0.02 0.00 0.00 177.57 178.25 3d4x h LEU 110 N 1.09 0.50 -0.81 2.57 5.85 -0.71 -0.97 115.31 122.83 3d4x h LEU 110 Ca 0.27 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.82 3d4x h LEU 110 Cb 0.06 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 3d4x h LEU 110 CO -0.04 0.59 0.50 0.58 -0.34 0.00 0.00 178.44 179.73 3d4x h VAL 111 N 0.38 1.06 -0.77 1.05 2.07 -0.65 -1.16 116.25 118.23 3d4x h VAL 111 Ca 0.10 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3d4x h VAL 111 Cb 0.29 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 3d4x h VAL 111 CO 0.00 0.17 0.41 0.00 0.02 0.00 0.00 177.57 178.17 3d4x h VAL 113 N 1.06 1.26 -0.31 0.00 2.07 -0.82 -0.75 116.25 118.76 3d4x h VAL 113 Ca 0.27 -1.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 3d4x h VAL 113 Cb 0.05 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3d4x h VAL 113 CO -0.04 0.40 -0.13 -0.07 0.02 0.00 0.00 177.57 177.75 3d4x h LEU 114 N 0.87 0.53 -0.48 2.57 3.38 -1.07 -1.94 115.31 119.17 3d4x h LEU 114 Ca 0.16 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 3d4x h LEU 114 Cb 0.54 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3d4x h LEU 114 CO 0.03 0.69 -0.53 0.00 0.09 0.00 0.00 178.44 178.71 3d4x h ALA 115 N 1.37 0.65 -0.83 1.53 0.00 -1.14 -1.30 119.26 119.54 3d4x h ALA 115 Ca 0.09 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.52 3d4x h ALA 115 Cb 0.52 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3d4x h ALA 115 CO 0.03 0.68 0.54 1.25 0.00 0.00 0.00 179.25 181.75 3d4x h HIS 116 N 0.49 1.01 0.20 0.00 -0.00 -0.82 -1.80 115.15 114.23 3d4x h HIS 116 Ca 0.01 0.03 -0.32 0.00 -0.00 0.00 0.00 60.37 60.09 3d4x h HIS 116 Cb 1.09 -0.34 0.02 0.00 -0.00 0.00 0.00 27.41 28.18 3d4x h HIS 116 CO 0.05 0.60 -1.47 0.45 -0.00 0.00 0.00 177.93 177.56 3d4x h HIS 117 N 1.06 0.75 0.00 5.26 -0.00 -1.28 -3.38 115.15 117.57 3d4x h HIS 117 Ca 0.33 -0.55 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 3d4x h HIS 117 Cb -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 3d4x h HIS 117 CO -0.02 1.48 -1.21 1.19 -0.00 0.00 0.00 177.93 179.37 3d4x n PHE 118 N -3.62 0.00 0.00 2.45 3.72 -0.50 -5.05 117.46 114.47 3d4x n PHE 118 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3d4x n PHE 118 Cb 1.07 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.49 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 3.62 0.33 1.37 0.00 -0.68 -2.10 105.19 109.16 3d4x n GLY 119 Ca 0.02 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.28 -0.01 1.61 -0.00 -1.97 -1.32 115.15 113.75 3d4x h HIS 120 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3d4x h HIS 120 Cb 0.00 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.32 3d4x h HIS 120 CO 0.00 0.15 0.07 -0.44 -0.00 0.00 0.00 177.93 177.70 3d4x h ASP 121 N 0.28 0.00 -1.13 3.26 3.32 -1.83 -3.30 116.42 117.02 3d4x h ASP 121 Ca 0.20 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.52 3d4x h ASP 121 Cb 0.44 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.87 3d4x h ASP 121 CO -0.04 0.00 2.20 0.33 -1.72 0.00 0.00 179.24 180.00 3d4x n PHE 122 N -3.10 3.67 -1.19 4.55 7.35 -0.50 -4.96 117.46 123.29 3d4x n PHE 122 Ca -0.03 -2.95 -0.35 0.00 -0.76 0.00 0.00 57.45 53.36 3d4x n PHE 122 Cb 0.14 -2.22 0.10 0.00 0.35 0.00 0.00 39.48 37.84 3d4x n PHE 122 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3d4x n ASN 123 N 5.27 -0.17 -0.33 -2.13 3.02 -1.24 -4.69 115.26 114.99 3d4x n ASN 123 Ca 0.43 0.58 0.28 0.00 -0.03 0.00 0.00 54.58 55.84 3d4x n ASN 123 Cb 0.39 -1.36 0.59 0.00 -0.61 0.00 0.00 39.78 38.80 3d4x n ASN 123 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3d4x h PRO 124 N -0.64 0.24 0.13 3.52 0.11 -1.94 0.32 132.00 133.73 3d4x h PRO 124 Ca -0.46 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.33 3d4x h PRO 124 Cb 1.32 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3d4x h PRO 124 CO 0.44 0.16 -1.50 1.96 -0.21 0.00 0.00 178.00 178.84 3d4x h GLN 125 N 0.25 0.27 -0.43 1.05 4.20 -1.99 -2.13 115.11 116.33 3d4x h GLN 125 Ca 0.61 -0.46 -0.09 0.00 0.06 0.00 0.00 58.65 58.76 3d4x h GLN 125 Cb 1.82 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 29.76 3d4x h GLN 125 CO -0.22 1.15 -0.12 0.28 -0.67 0.00 0.00 178.83 179.25 3d4x h VAL 126 N 0.07 1.26 -0.22 -0.54 2.07 -1.80 -2.87 116.25 114.22 3d4x h VAL 126 Ca -0.23 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3d4x h VAL 126 Cb 2.02 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 3d4x h VAL 126 CO 0.17 0.40 0.12 -0.61 0.02 0.00 0.00 177.57 177.67 3d4x h GLN 127 N 0.69 0.31 -0.59 1.57 4.15 -0.36 -2.12 115.11 118.76 3d4x h GLN 127 Ca 0.12 -0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.58 3d4x h GLN 127 Cb 0.59 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.16 3d4x h GLN 127 CO 0.04 0.30 0.25 0.00 -1.93 0.00 0.00 178.83 177.49 3d4x h ALA 128 N 0.99 0.76 -0.38 3.38 0.00 -1.33 0.36 119.26 123.04 3d4x h ALA 128 Ca 0.08 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3d4x h ALA 128 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3d4x h ALA 128 CO -0.01 -0.15 -0.17 0.00 0.00 0.00 0.00 179.25 178.92 3d4x h ALA 129 N 1.38 0.99 0.00 0.00 0.00 -1.47 -2.14 119.26 118.02 3d4x h ALA 129 Ca 0.29 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3d4x h ALA 129 Cb 0.31 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3d4x h ALA 129 CO -0.26 0.60 -0.15 0.74 0.00 0.00 0.00 179.25 180.17 3d4x h PHE 130 N 0.64 0.00 -0.13 0.00 0.04 -0.64 -2.68 116.94 114.16 3d4x h PHE 130 Ca 0.10 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.73 3d4x h PHE 130 Cb 0.64 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.79 3d4x h PHE 130 CO 0.03 0.15 -0.48 1.96 -0.60 0.00 0.00 178.31 179.38 3d4x h GLN 131 N 0.00 0.55 -0.66 1.51 1.08 -0.50 -1.98 115.11 115.11 3d4x h GLN 131 Ca -0.00 -0.42 0.08 0.00 -1.45 0.00 0.00 58.65 56.86 3d4x h GLN 131 Cb 0.72 0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 28.16 3d4x h GLN 131 CO 0.02 1.04 0.31 0.87 -0.95 0.00 0.00 178.83 180.13 3d4x h LYS 132 N 0.18 0.53 0.47 1.46 1.57 -1.36 -0.15 116.57 119.28 3d4x h LYS 132 Ca -0.02 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3d4x h LYS 132 Cb 1.11 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3d4x h LYS 132 CO 0.10 0.35 -0.23 0.28 -0.57 0.00 0.00 179.45 179.39 3d4x h VAL 133 N 0.55 0.52 -0.66 0.50 2.07 -1.45 0.37 116.25 118.14 3d4x h VAL 133 Ca 0.32 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3d4x h VAL 133 Cb 0.33 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3d4x h VAL 133 CO -0.26 0.04 0.29 -0.37 0.02 0.00 0.00 177.57 177.29 3d4x h VAL 134 N -0.77 1.22 -0.49 2.57 -1.51 -1.26 -0.13 116.25 115.88 3d4x h VAL 134 Ca -0.06 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 3d4x h VAL 134 Cb 0.55 0.40 -0.02 0.00 -2.13 0.00 0.00 31.29 30.09 3d4x h VAL 134 CO 0.11 0.27 0.32 0.00 -1.23 0.00 0.00 177.57 177.03 3d4x h ALA 135 N 1.38 0.62 -0.95 5.19 0.00 -1.01 -1.00 119.26 123.49 3d4x h ALA 135 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3d4x h ALA 135 Cb 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3d4x h ALA 135 CO -0.03 0.07 0.59 0.78 0.00 0.00 0.00 179.25 180.67 3d4x h GLY 136 N 0.66 1.36 0.89 0.00 0.00 -0.04 -1.16 103.07 104.79 3d4x h GLY 136 Ca 0.18 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3d4x h GLY 136 CO -0.04 0.53 -0.12 -2.08 0.00 0.00 0.00 176.54 174.84 3d4x h VAL 137 N 1.30 1.29 -0.33 4.60 2.07 -0.85 -1.28 116.25 123.04 3d4x h VAL 137 Ca 0.34 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3d4x h VAL 137 Cb -0.09 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3d4x h VAL 137 CO -0.07 0.38 0.22 0.00 0.02 0.00 0.00 177.57 178.12 3d4x h ALA 138 N 0.76 0.42 -0.02 1.67 0.00 -1.00 -0.31 119.26 120.78 3d4x h ALA 138 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3d4x h ALA 138 Cb 0.62 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3d4x h ALA 138 CO 0.04 -0.11 -0.04 -0.91 0.00 0.00 0.00 179.25 178.23 3d4x h ASN 139 N 0.45 -0.12 -1.01 0.00 4.21 -1.23 -2.22 115.58 115.66 3d4x h ASN 139 Ca 0.12 0.02 0.04 0.00 1.21 0.00 0.00 56.30 57.70 3d4x h ASN 139 Cb -0.04 0.06 -0.06 0.00 -1.12 0.00 0.00 38.32 37.15 3d4x h ASN 139 CO -0.03 -0.06 0.66 0.00 -1.29 0.00 0.00 177.43 176.71 3d4x h ALA 140 N 0.95 1.36 0.00 -0.83 0.00 -1.02 -2.06 119.26 117.66 3d4x h ALA 140 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3d4x h ALA 140 Cb 0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3d4x h ALA 140 CO -0.06 0.53 -0.16 -0.07 0.00 0.00 0.00 179.25 179.49 3d4x h LEU 141 N 1.25 0.00 0.00 0.00 3.38 -0.93 -2.74 115.31 116.28 3d4x h LEU 141 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3d4x h LEU 141 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3d4x h LEU 141 CO -0.14 0.16 -0.28 0.00 0.09 0.00 0.00 178.44 178.27 3d4x n ALA 142 N -2.30 2.74 0.18 1.53 0.00 -0.81 -4.45 120.51 117.39 3d4x n ALA 142 Ca -0.02 -0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.28 3d4x n ALA 142 Cb 0.28 -1.31 0.32 0.00 0.00 0.00 0.00 19.45 18.73 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 0.00 0.00 -0.46 0.00 6.17 -1.14 -2.86 115.15 116.85 3d4x h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3d4x h HIS 143 Cb 0.63 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.56 3d4x h HIS 143 CO 0.00 0.44 0.00 1.63 0.71 0.00 0.00 177.93 180.71 3d4x n LYS 144 N -3.85 2.18 -2.59 5.26 4.76 -1.26 -4.92 118.16 117.74 3d4x n LYS 144 Ca -0.01 -1.82 -0.40 0.00 -2.87 0.00 0.00 58.31 53.21 3d4x n LYS 144 Cb 0.49 -1.42 -0.05 0.00 -1.84 0.00 0.00 35.03 32.21 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 -1.39 3.67 0.00 2.13 2.02 -1.08 -4.73 117.35 117.96 3d4x s TYR 145 Ca 0.35 1.77 0.00 0.00 -0.37 0.00 0.00 57.07 58.82 3d4x s TYR 145 Cb 0.19 -3.15 0.00 0.00 -0.40 0.00 0.00 41.96 38.60 3d4x s TYR 145 CO 0.25 -0.20 0.00 -2.39 -1.57 0.00 0.00 175.55 171.64