#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yev s HIS 2 N 0.00 1.45 -0.17 2.03 5.04 -1.26 -4.87 115.29 117.51 1yev s HIS 2 Ca 0.00 1.66 0.00 0.00 -1.54 0.00 0.00 55.06 55.18 1yev s HIS 2 Cb 0.00 -3.57 0.00 0.00 0.04 0.00 0.00 32.58 29.05 1yev s HIS 2 CO 0.00 -0.98 -0.16 -0.51 -2.34 0.00 0.00 174.74 170.75 1yev s LEU 3 N 14.69 2.42 0.77 8.88 1.43 -1.26 -5.10 118.68 140.50 1yev s LEU 3 Ca 0.78 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 53.22 1yev s LEU 3 Cb -0.05 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.64 1yev s LEU 3 CO 0.14 0.06 0.88 0.41 0.23 0.00 0.00 176.35 178.07 1yev n THR 4 N 4.26 2.12 -0.24 5.49 -1.04 -1.26 -4.72 114.28 118.89 1yev n THR 4 Ca -0.19 -0.31 -0.03 0.00 -2.04 0.00 0.00 64.05 61.48 1yev n THR 4 Cb 0.51 -1.00 0.16 0.00 -1.82 0.00 0.00 70.33 68.18 1yev n THR 4 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1yev h PRO 5 N -0.58 1.05 0.00 -2.82 0.11 -1.99 0.53 132.00 128.29 1yev h PRO 5 Ca -0.46 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 65.50 1yev h PRO 5 Cb 1.32 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1yev h PRO 5 CO 0.44 0.80 -0.02 1.05 -0.21 0.00 0.00 178.00 180.07 1yev h GLU 6 N 1.05 0.00 -0.00 1.05 9.09 -1.98 -0.81 114.58 122.97 1yev h GLU 6 Ca 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.65 1yev h GLU 6 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 1yev h GLU 6 CO -0.03 0.02 -0.05 0.93 0.05 0.00 0.00 179.01 179.92 1yev h GLU 7 N 0.00 0.04 -0.66 1.06 5.08 -1.29 -2.30 114.58 116.52 1yev h GLU 7 Ca -0.00 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1yev h GLU 7 Cb 0.35 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1yev h GLU 7 CO 0.00 0.79 0.39 0.87 -1.00 0.00 0.00 179.01 180.07 1yev h LYS 8 N -0.70 0.74 -0.57 2.33 1.57 -0.94 -0.58 116.57 118.41 1yev h LYS 8 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1yev h LYS 8 Cb 0.81 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 1yev h LYS 8 CO 0.01 0.49 0.37 1.03 -0.57 0.00 0.00 179.45 180.78 1yev h SER 9 N 0.76 0.66 -0.18 0.86 0.87 -1.23 -0.54 113.55 114.75 1yev h SER 9 Ca 0.28 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.73 1yev h SER 9 Cb 0.08 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1yev h SER 9 CO -0.13 0.49 -0.22 0.00 -0.53 0.00 0.00 176.83 176.44 1yev h ALA 10 N 1.63 0.27 0.67 6.23 0.00 -0.56 -2.48 119.26 125.01 1yev h ALA 10 Ca 0.21 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1yev h ALA 10 Cb -0.07 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1yev h ALA 10 CO -0.04 0.22 -0.32 0.28 0.00 0.00 0.00 179.25 179.38 1yev h VAL 11 N 0.11 0.34 -0.19 0.00 2.07 -0.86 -2.95 116.25 114.77 1yev h VAL 11 Ca 0.02 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1yev h VAL 11 Cb 0.77 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1yev h VAL 11 CO 0.05 0.00 -0.23 0.74 0.02 0.00 0.00 177.57 178.16 1yev h THR 12 N -0.91 0.43 -0.70 2.57 2.02 -1.17 -1.58 112.91 113.57 1yev h THR 12 Ca -0.09 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.18 1yev h THR 12 Cb 0.69 0.43 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 1yev h THR 12 CO 0.15 0.00 0.34 0.00 0.37 0.00 0.00 175.52 176.38 1yev h ALA 13 N 0.76 0.96 -0.11 6.16 0.00 -1.49 -1.79 119.26 123.74 1yev h ALA 13 Ca 0.12 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1yev h ALA 13 Cb 0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1yev h ALA 13 CO -0.34 -0.06 -0.71 1.25 0.00 0.00 0.00 179.25 179.39 1yev h LEU 14 N 0.59 0.60 -1.36 0.00 5.85 -1.29 -3.18 115.31 116.51 1yev h LEU 14 Ca 0.34 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1yev h LEU 14 Cb 0.36 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1yev h LEU 14 CO -0.27 1.13 -0.02 -0.25 -0.34 0.00 0.00 178.44 178.69 1yev h TRP 15 N 0.35 0.41 0.00 1.25 2.91 -0.69 -1.54 115.95 118.65 1yev h TRP 15 Ca -0.03 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.96 1yev h TRP 15 Cb 1.29 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 1yev h TRP 15 CO 0.05 0.43 0.00 0.41 -1.03 0.00 0.00 178.44 178.30 1yev n GLY 16 N -0.97 -0.82 0.74 2.65 0.00 -0.73 -1.77 105.19 104.28 1yev n GLY 16 Ca 0.01 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1yev n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yev n LYS 17 N -1.45 2.24 -3.02 1.61 5.02 -0.58 -4.96 118.16 117.01 1yev n LYS 17 Ca 0.03 -1.93 -0.40 0.00 -2.02 0.00 0.00 58.31 53.99 1yev n LYS 17 Cb 0.12 -1.32 -0.05 0.00 -0.02 0.00 0.00 35.03 33.76 1yev n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yev s VAL 18 N -1.06 4.99 -0.89 -0.18 1.01 -0.73 -4.98 120.40 118.56 1yev s VAL 18 Ca 0.25 1.42 -0.25 0.00 0.00 0.00 0.00 61.98 63.41 1yev s VAL 18 Cb 0.14 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1yev s VAL 18 CO 0.19 0.14 1.50 0.21 0.00 0.00 0.00 175.10 177.15 1yev s ASN 19 N 1.02 6.11 0.27 3.32 3.84 -1.26 -4.90 114.94 123.35 1yev s ASN 19 Ca 0.35 -0.89 0.01 0.00 0.21 0.00 0.00 52.86 52.53 1yev s ASN 19 Cb -0.17 -2.56 0.62 0.00 -0.55 0.00 0.00 41.25 38.59 1yev s ASN 19 CO 0.14 -1.85 1.72 0.58 -2.79 0.00 0.00 177.10 174.90 1yev h VAL 20 N 6.64 0.57 -0.17 -5.21 2.07 -1.95 -2.02 116.25 116.17 1yev h VAL 20 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1yev h VAL 20 Cb 1.03 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1yev h VAL 20 CO 1.34 0.08 0.10 0.44 0.02 0.00 0.00 177.57 179.55 1yev h ASP 21 N 0.46 0.17 0.65 0.57 5.19 -1.97 -1.63 116.42 119.86 1yev h ASP 21 Ca 0.51 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.88 1yev h ASP 21 Cb 0.87 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.35 1yev h ASP 21 CO -0.47 0.13 -0.31 -0.33 -3.12 0.00 0.00 179.24 175.14 1yev h GLU 22 N 0.21 -0.84 -0.75 3.56 5.08 -1.93 -2.82 114.58 117.10 1yev h GLU 22 Ca 0.06 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.59 1yev h GLU 22 Cb -0.01 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 1yev h GLU 22 CO -0.02 -0.56 0.37 0.28 -1.00 0.00 0.00 179.01 178.08 1yev h VAL 23 N -1.17 0.81 -0.39 3.13 2.07 -1.41 -0.48 116.25 118.81 1yev h VAL 23 Ca -0.09 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1yev h VAL 23 Cb 0.67 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1yev h VAL 23 CO 0.15 0.11 0.06 1.23 0.02 0.00 0.00 177.57 179.14 1yev h GLY 24 N 0.60 0.70 1.17 2.17 0.00 -1.38 0.56 103.07 106.89 1yev h GLY 24 Ca 0.38 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 1yev h GLY 24 CO -0.30 0.43 0.01 -1.33 0.00 0.00 0.00 176.54 175.35 1yev h GLY 25 N 0.49 1.07 1.05 4.60 0.00 -1.19 -2.84 103.07 106.26 1yev h GLY 25 Ca 0.12 -0.76 -0.11 0.00 0.00 0.00 0.00 47.33 46.57 1yev h GLY 25 CO 0.01 0.70 -0.15 0.83 0.00 0.00 0.00 176.54 177.93 1yev h GLU 26 N 0.91 0.92 -0.48 4.80 5.08 -0.64 -0.83 114.58 124.34 1yev h GLU 26 Ca 0.17 -0.37 -0.13 0.00 -1.00 0.00 0.00 59.36 58.02 1yev h GLU 26 Cb 0.52 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1yev h GLU 26 CO 0.03 1.02 -0.22 0.00 -1.00 0.00 0.00 179.01 178.84 1yev h ALA 27 N 0.87 0.68 0.05 3.43 0.00 0.17 -0.03 119.26 124.43 1yev h ALA 27 Ca 0.11 -0.40 -0.27 0.00 0.00 0.00 0.00 54.91 54.36 1yev h ALA 27 Cb 0.71 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1yev h ALA 27 CO 0.05 0.68 -1.10 1.25 0.00 0.00 0.00 179.25 180.13 1yev h LEU 28 N 0.86 0.76 -0.37 0.00 5.85 -1.55 -2.00 115.31 118.86 1yev h LEU 28 Ca 0.11 -0.65 0.01 0.00 0.84 0.00 0.00 57.88 58.18 1yev h LEU 28 Cb 0.81 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1yev h LEU 28 CO 0.07 1.46 0.23 1.23 -0.34 0.00 0.00 178.44 181.09 1yev h GLY 29 N 0.70 0.52 2.00 3.75 0.00 -1.03 -2.57 103.07 106.43 1yev h GLY 29 Ca -0.14 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1yev h GLY 29 CO 0.21 0.17 -0.27 3.21 0.00 0.00 0.00 176.54 179.86 1yev h ARG 30 N 0.47 0.00 -0.26 4.80 3.08 -0.90 -2.55 114.38 119.02 1yev h ARG 30 Ca 0.14 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1yev h ARG 30 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1yev h ARG 30 CO -0.05 0.27 0.16 1.25 -1.07 0.00 0.00 179.97 180.53 1yev h LEU 31 N 0.00 0.32 -0.51 3.04 5.85 -0.95 0.04 115.31 123.10 1yev h LEU 31 Ca -0.00 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 1yev h LEU 31 Cb 0.57 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1yev h LEU 31 CO 0.03 0.27 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.98 1yev h LEU 32 N 0.33 0.00 0.00 2.25 3.38 -1.40 0.36 115.31 120.23 1yev h LEU 32 Ca 0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1yev h LEU 32 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1yev h LEU 32 CO -0.02 0.36 -0.58 0.58 0.09 0.00 0.00 178.44 178.88 1yev h VAL 33 N 0.00 1.21 -0.21 1.22 2.07 -1.37 -3.16 116.25 116.00 1yev h VAL 33 Ca -0.00 -2.12 -0.12 0.00 0.82 0.00 0.00 66.70 65.28 1yev h VAL 33 Cb 1.08 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 1yev h VAL 33 CO 0.05 0.41 -0.37 0.58 0.02 0.00 0.00 177.57 178.26 1yev h VAL 34 N -1.00 1.29 -2.43 2.57 2.07 -1.06 -3.35 116.25 114.35 1yev h VAL 34 Ca -0.15 -1.48 -0.60 0.00 0.82 0.00 0.00 66.70 65.28 1yev h VAL 34 Cb 1.05 1.54 -0.41 0.00 -1.52 0.00 0.00 31.29 31.94 1yev h VAL 34 CO -0.09 0.46 -0.70 -1.22 0.02 0.00 0.00 177.57 176.04 1yev n TYR 35 N -4.05 2.50 -0.12 1.57 4.01 0.13 -4.95 117.16 116.25 1yev n TYR 35 Ca -0.01 -4.03 0.27 0.00 -0.16 0.00 0.00 57.90 53.96 1yev n TYR 35 Cb 0.48 -0.47 0.72 0.00 -0.31 0.00 0.00 39.34 39.76 1yev n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1yev h PRO 36 N 4.62 0.00 -0.59 -0.72 0.11 -1.69 0.83 132.00 134.55 1yev h PRO 36 Ca 0.17 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.44 1yev h PRO 36 Cb 0.74 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 1yev h PRO 36 CO 0.70 0.00 0.42 0.93 -0.21 0.00 0.00 178.00 179.84 1yev h GLU 37 N 0.00 0.08 0.00 1.05 3.07 -1.91 0.58 114.58 117.46 1yev h GLU 37 Ca 0.37 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1yev h GLU 37 Cb 1.61 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.50 1yev h GLU 37 CO -0.00 0.06 0.00 0.25 -1.40 0.00 0.00 179.01 177.91 1yev n THR 38 N -4.39 1.02 0.27 1.13 -2.24 0.28 -2.92 114.28 107.44 1yev n THR 38 Ca 0.11 0.25 0.14 0.00 -2.27 0.00 0.00 64.05 62.29 1yev n THR 38 Cb 0.60 -1.02 0.79 0.00 -2.10 0.00 0.00 70.33 68.61 1yev n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1yev h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -0.00 -2.88 115.11 115.65 1yev h GLN 39 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1yev h GLN 39 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1yev h GLN 39 CO 0.00 0.09 -0.01 0.07 -0.67 0.00 0.00 178.83 178.31 1yev h ARG 40 N 0.00 0.00 0.00 1.46 -0.00 -1.72 -1.62 114.38 112.51 1yev h ARG 40 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1yev h ARG 40 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.25 1yev h ARG 40 CO 0.01 0.01 -0.27 1.19 -0.00 0.00 0.00 179.97 180.92 1yev n PHE 41 N -3.58 0.55 -1.71 4.08 3.72 -1.09 -3.94 117.46 115.49 1yev n PHE 41 Ca -0.03 0.16 -0.05 0.00 -0.05 0.00 0.00 57.45 57.48 1yev n PHE 41 Cb 0.09 -0.70 0.15 0.00 -0.94 0.00 0.00 39.48 38.08 1yev n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1yev n PHE 42 N -2.01 1.04 -0.34 1.38 3.72 -0.61 -4.78 117.46 115.86 1yev n PHE 42 Ca 0.05 -1.77 0.12 0.00 -0.05 0.00 0.00 57.45 55.81 1yev n PHE 42 Cb 0.41 -0.33 0.33 0.00 -0.94 0.00 0.00 39.48 38.95 1yev n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1yev h GLU 43 N 1.39 0.74 0.00 -1.08 5.08 -1.68 -0.59 114.58 118.44 1yev h GLU 43 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1yev h GLU 43 Cb 1.24 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1yev h GLU 43 CO 0.31 0.49 0.00 -1.13 -1.00 0.00 0.00 179.01 177.68 1yev n SER 44 N -4.68 0.00 0.01 1.42 3.41 -1.26 -2.31 113.62 110.21 1yev n SER 44 Ca 0.21 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 1yev n SER 44 Cb 0.54 -0.42 0.49 0.00 -0.26 0.00 0.00 64.21 64.56 1yev n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yev n PHE 45 N -1.42 0.13 0.00 7.33 3.01 -0.23 -5.04 117.46 121.25 1yev n PHE 45 Ca 0.02 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1yev n PHE 45 Cb 0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.04 1yev n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yev n GLY 46 N 1.47 0.83 3.61 1.37 0.00 -0.98 -4.76 105.19 106.72 1yev n GLY 46 Ca 0.06 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 1yev n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yev s ASP 47 N -4.00 6.47 -0.20 1.61 2.15 -1.26 -4.85 116.67 116.59 1yev s ASP 47 Ca 0.00 0.84 0.14 0.00 0.43 0.00 0.00 52.55 53.96 1yev s ASP 47 Cb 0.00 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.52 1yev s ASP 47 CO 0.00 -1.32 1.20 0.18 -0.17 0.00 0.00 175.17 175.06 1yev n LEU 48 N 8.35 2.85 0.07 -1.34 4.77 -1.26 -4.39 117.00 126.05 1yev n LEU 48 Ca 0.15 -3.71 -0.11 0.00 -0.03 0.00 0.00 56.01 52.31 1yev n LEU 48 Cb 0.48 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1yev n LEU 48 CO 0.69 1.39 0.24 0.77 -1.33 0.00 0.00 177.39 179.15 1yev h SER 49 N 1.40 0.44 -4.25 -1.43 4.64 -1.93 -3.45 113.55 108.96 1yev h SER 49 Ca 0.04 -0.34 -0.40 0.00 -0.47 0.00 0.00 61.79 60.62 1yev h SER 49 Cb 1.30 -0.13 -0.19 0.00 -0.31 0.00 0.00 62.40 63.06 1yev h SER 49 CO 0.21 1.13 -0.76 0.42 -0.87 0.00 0.00 176.83 176.95 1yev s THR 50 N -3.33 1.19 0.21 2.95 -4.23 -1.26 -5.00 115.64 106.17 1yev s THR 50 Ca -0.05 -1.57 -0.18 0.00 -1.18 0.00 0.00 61.69 58.71 1yev s THR 50 Cb 0.10 -1.35 0.20 0.00 1.34 0.00 0.00 72.50 72.79 1yev s THR 50 CO 0.85 -0.38 1.57 -0.65 -0.54 0.00 0.00 174.62 175.47 1yev h PRO 51 N 3.78 -0.07 -0.85 3.99 0.11 -1.98 0.17 132.00 137.14 1yev h PRO 51 Ca -0.40 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.75 1yev h PRO 51 Cb 1.19 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1yev h PRO 51 CO 0.48 -0.04 0.56 -0.44 -0.21 0.00 0.00 178.00 178.34 1yev h ASP 52 N -0.07 0.93 -0.31 -2.05 3.32 -1.99 0.05 116.42 116.30 1yev h ASP 52 Ca 0.30 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1yev h ASP 52 Cb 0.58 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1yev h ASP 52 CO -0.85 0.64 0.15 0.00 -1.72 0.00 0.00 179.24 177.46 1yev h ALA 53 N 1.50 0.40 -0.23 3.45 0.00 -1.11 -3.00 119.26 120.27 1yev h ALA 53 Ca 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1yev h ALA 53 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1yev h ALA 53 CO -0.10 -0.03 0.03 0.28 0.00 0.00 0.00 179.25 179.43 1yev h VAL 54 N 0.37 1.23 0.00 0.00 2.07 0.86 -2.35 116.25 118.43 1yev h VAL 54 Ca 0.11 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1yev h VAL 54 Cb 0.12 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1yev h VAL 54 CO -0.01 0.24 0.00 0.24 0.02 0.00 0.00 177.57 178.06 1yev h MET 55 N 0.18 0.00 -0.01 1.57 2.07 -1.08 -2.62 114.93 115.04 1yev h MET 55 Ca 0.07 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1yev h MET 55 Cb 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 1yev h MET 55 CO 0.01 0.00 -0.69 0.41 1.07 0.00 0.00 176.91 177.71 1yev n GLY 56 N -0.06 -0.40 3.62 8.32 0.00 -1.13 -4.91 105.19 110.61 1yev n GLY 56 Ca 0.00 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1yev n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yev n ASN 57 N -0.70 3.56 0.29 1.61 2.85 -0.89 -4.84 115.26 117.14 1yev n ASN 57 Ca 0.06 0.45 0.16 0.00 -0.11 0.00 0.00 54.58 55.15 1yev n ASN 57 Cb 0.39 -1.54 0.89 0.00 1.24 0.00 0.00 39.78 40.75 1yev n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1yev h PRO 58 N 13.50 0.00 0.03 1.20 0.13 -1.91 -1.49 132.00 143.46 1yev h PRO 58 Ca -0.44 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.44 1yev h PRO 58 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.38 1yev h PRO 58 CO 0.95 0.05 -1.03 0.87 -0.23 0.00 0.00 178.00 178.61 1yev h LYS 59 N 0.00 0.46 -0.19 0.86 1.57 -1.88 -2.52 116.57 114.86 1yev h LYS 59 Ca -0.00 -0.54 0.01 0.00 -1.87 0.00 0.00 60.65 58.25 1yev h LYS 59 Cb 0.20 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1yev h LYS 59 CO 0.01 1.18 0.11 0.28 -0.57 0.00 0.00 179.45 180.46 1yev h VAL 60 N 0.24 1.03 -0.49 0.50 2.07 -1.63 -1.82 116.25 116.13 1yev h VAL 60 Ca -0.11 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1yev h VAL 60 Cb 1.69 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1yev h VAL 60 CO 0.18 0.04 0.19 0.11 0.02 0.00 0.00 177.57 178.12 1yev h LYS 61 N 0.24 0.71 0.03 1.57 1.57 -1.31 -1.59 116.57 117.79 1yev h LYS 61 Ca 0.07 -0.10 -0.24 0.00 -1.87 0.00 0.00 60.65 58.51 1yev h LYS 61 Cb -0.01 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.19 1yev h LYS 61 CO -0.03 0.59 -0.96 0.00 -0.57 0.00 0.00 179.45 178.48 1yev h ALA 62 N 1.51 0.08 -0.20 3.86 0.00 -1.20 -2.96 119.26 120.35 1yev h ALA 62 Ca 0.17 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 1yev h ALA 62 Cb 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1yev h ALA 62 CO -0.02 0.58 -0.33 1.25 0.00 0.00 0.00 179.25 180.73 1yev h HIS 63 N 0.21 0.47 -0.78 0.00 -0.00 -1.24 -2.70 115.15 111.12 1yev h HIS 63 Ca -0.13 -0.12 0.09 0.00 -0.00 0.00 0.00 60.37 60.21 1yev h HIS 63 Cb 1.64 -0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 28.87 1yev h HIS 63 CO 0.12 0.70 0.43 0.78 -0.00 0.00 0.00 177.93 179.96 1yev h GLY 64 N 1.09 1.19 1.04 5.26 0.00 -1.19 -1.52 103.07 108.94 1yev h GLY 64 Ca 0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1yev h GLY 64 CO 0.06 0.12 0.35 1.70 0.00 0.00 0.00 176.54 178.77 1yev h LYS 65 N 0.74 1.18 -0.72 4.80 3.64 -1.32 0.52 116.57 125.41 1yev h LYS 65 Ca 0.37 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1yev h LYS 65 Cb 0.33 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1yev h LYS 65 CO -0.24 0.93 0.28 -0.22 -2.27 0.00 0.00 179.45 177.93 1yev h LYS 66 N 1.15 1.08 -0.44 1.90 3.64 -1.14 0.11 116.57 122.88 1yev h LYS 66 Ca 0.27 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1yev h LYS 66 Cb 0.17 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1yev h LYS 66 CO -0.03 0.90 -0.02 0.28 -2.27 0.00 0.00 179.45 178.31 1yev h VAL 67 N 1.04 1.26 -0.20 2.00 2.07 -0.54 -1.34 116.25 120.55 1yev h VAL 67 Ca 0.24 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 1yev h VAL 67 Cb 0.23 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1yev h VAL 67 CO -0.02 0.37 -0.19 -0.07 0.02 0.00 0.00 177.57 177.69 1yev h LEU 68 N 0.64 0.34 -0.65 2.57 4.07 -0.66 -2.01 115.31 119.61 1yev h LEU 68 Ca 0.12 -0.09 0.06 0.00 0.08 0.00 0.00 57.88 58.05 1yev h LEU 68 Cb 0.52 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.12 1yev h LEU 68 CO 0.03 0.55 0.36 1.23 -1.08 0.00 0.00 178.44 179.53 1yev h GLY 69 N 0.92 0.95 1.67 0.83 0.00 -0.16 -0.14 103.07 107.15 1yev h GLY 69 Ca 0.06 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 1yev h GLY 69 CO 0.03 0.16 -0.27 0.00 0.00 0.00 0.00 176.54 176.46 1yev h ALA 70 N 1.34 1.17 -0.36 3.60 0.00 -0.73 -2.20 119.26 122.08 1yev h ALA 70 Ca 0.29 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1yev h ALA 70 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1yev h ALA 70 CO -0.18 0.53 -0.43 0.35 0.00 0.00 0.00 179.25 179.53 1yev h PHE 71 N 0.34 1.11 -1.00 0.00 3.04 -0.62 -2.52 116.94 117.29 1yev h PHE 71 Ca 0.05 -0.35 0.02 0.00 3.98 0.00 0.00 57.97 61.67 1yev h PHE 71 Cb 0.65 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.88 1yev h PHE 71 CO 0.02 1.18 0.66 0.77 -2.02 0.00 0.00 178.31 178.92 1yev h SER 72 N 0.74 1.13 -0.05 0.41 0.02 -0.83 -1.43 113.55 113.54 1yev h SER 72 Ca 0.05 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1yev h SER 72 Cb 1.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1yev h SER 72 CO 0.10 0.80 -0.03 0.44 -1.14 0.00 0.00 176.83 177.00 1yev h ASP 73 N 1.33 0.21 0.75 3.07 5.19 -1.14 -2.14 116.42 123.69 1yev h ASP 73 Ca 0.38 -0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.59 1yev h ASP 73 Cb -0.10 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.34 1yev h ASP 73 CO -0.10 0.28 -0.81 1.23 -3.12 0.00 0.00 179.24 176.72 1yev h GLY 74 N 0.53 0.05 1.44 2.75 0.00 -0.85 -3.02 103.07 103.96 1yev h GLY 74 Ca 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1yev h GLY 74 CO 0.01 0.07 0.05 1.41 0.00 0.00 0.00 176.54 178.07 1yev h LEU 75 N 0.02 0.66 -0.48 3.11 3.38 -0.77 -1.60 115.31 119.63 1yev h LEU 75 Ca -0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1yev h LEU 75 Cb 1.42 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1yev h LEU 75 CO 0.11 0.70 -0.06 0.00 0.09 0.00 0.00 178.44 179.28 1yev n ALA 76 N -2.47 2.71 -1.58 1.53 0.00 -0.99 -3.74 120.51 115.97 1yev n ALA 76 Ca 0.03 -0.33 0.06 0.00 0.00 0.00 0.00 53.44 53.20 1yev n ALA 76 Cb 0.25 -1.29 0.18 0.00 0.00 0.00 0.00 19.45 18.59 1yev n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yev n HIS 77 N -0.51 0.00 0.14 0.00 8.25 -0.65 -4.92 115.22 117.54 1yev n HIS 77 Ca 0.18 -1.32 0.09 0.00 -0.26 0.00 0.00 57.72 56.40 1yev n HIS 77 Cb 0.28 -0.22 0.47 0.00 1.12 0.00 0.00 29.99 31.63 1yev n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1yev n LEU 78 N -1.05 0.44 0.14 2.41 4.77 -0.92 -0.55 117.00 122.26 1yev n LEU 78 Ca 0.17 0.68 0.10 0.00 -0.03 0.00 0.00 56.01 56.93 1yev n LEU 78 Cb 0.71 -0.72 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1yev n LEU 78 CO -0.03 -0.83 0.31 0.44 -1.33 0.00 0.00 177.39 175.95 1yev h ASP 79 N 0.00 0.00 -1.85 -1.43 3.32 -1.91 -3.37 116.42 111.18 1yev h ASP 79 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1yev h ASP 79 Cb 0.14 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.28 1yev h ASP 79 CO 0.00 0.10 -1.09 -3.20 -1.72 0.00 0.00 179.24 173.33 1yev n ASN 80 N -2.90 1.68 -0.37 6.45 5.15 0.29 -4.74 115.26 120.82 1yev n ASN 80 Ca 0.01 -3.09 -0.02 0.00 -0.60 0.00 0.00 54.58 50.87 1yev n ASN 80 Cb 0.59 -0.59 0.11 0.00 -0.53 0.00 0.00 39.78 39.36 1yev n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1yev h LEU 81 N 2.98 1.14 -0.52 1.20 3.38 -1.75 0.78 115.31 122.52 1yev h LEU 81 Ca 0.08 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1yev h LEU 81 Cb 0.93 -0.29 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 1yev h LEU 81 CO 0.56 0.83 -0.23 0.11 0.09 0.00 0.00 178.44 179.80 1yev h LYS 82 N 1.34 -0.11 -0.16 1.13 6.56 -1.90 -0.21 116.57 123.22 1yev h LYS 82 Ca 0.36 0.01 -0.19 0.00 -1.06 0.00 0.00 60.65 59.77 1yev h LYS 82 Cb -0.15 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.54 1yev h LYS 82 CO -0.08 -0.07 -0.66 0.78 -2.06 0.00 0.00 179.45 177.36 1yev h GLY 83 N -0.11 0.68 1.66 3.86 0.00 -1.79 -3.03 103.07 104.33 1yev h GLY 83 Ca 0.24 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1yev h GLY 83 CO -0.59 0.78 0.19 -0.84 0.00 0.00 0.00 176.54 176.08 1yev h THR 84 N 0.45 1.10 -0.29 4.70 2.02 -0.12 -3.22 112.91 117.55 1yev h THR 84 Ca -0.02 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1yev h THR 84 Cb 1.24 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1yev h THR 84 CO 0.13 0.11 0.00 0.49 0.37 0.00 0.00 175.52 176.62 1yev n PHE 85 N -4.45 0.63 0.16 3.16 3.72 -0.16 -4.79 117.46 115.73 1yev n PHE 85 Ca 0.02 -0.66 -0.14 0.00 -0.05 0.00 0.00 57.45 56.62 1yev n PHE 85 Cb 0.09 -0.15 -0.07 0.00 -0.94 0.00 0.00 39.48 38.41 1yev n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yev h ALA 86 N 1.83 -0.36 -0.69 4.37 0.00 -1.54 0.12 119.26 122.99 1yev h ALA 86 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1yev h ALA 86 Cb 1.02 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1yev h ALA 86 CO 0.09 -0.71 0.33 1.79 0.00 0.00 0.00 179.25 180.74 1yev h THR 87 N -0.37 1.22 -0.24 0.00 1.35 -1.86 -1.18 112.91 111.82 1yev h THR 87 Ca -0.02 -0.64 -0.10 0.00 -0.55 0.00 0.00 66.41 65.10 1yev h THR 87 Cb 0.32 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.07 1yev h THR 87 CO 0.02 0.27 -0.29 0.25 -0.25 0.00 0.00 175.52 175.51 1yev h LEU 88 N 0.98 0.50 -0.03 3.87 5.85 -1.80 -1.18 115.31 123.50 1yev h LEU 88 Ca 0.24 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1yev h LEU 88 Cb 0.11 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1yev h LEU 88 CO -0.03 0.78 0.01 -1.28 -0.34 0.00 0.00 178.44 177.58 1yev h SER 89 N 0.43 0.05 -0.95 1.25 0.87 0.16 -1.81 113.55 113.54 1yev h SER 89 Ca 0.06 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1yev h SER 89 Cb 0.73 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 1yev h SER 89 CO 0.06 0.19 0.60 -0.33 -0.53 0.00 0.00 176.83 176.82 1yev h GLU 90 N -0.10 1.27 -0.05 2.24 5.08 -1.05 -1.36 114.58 120.62 1yev h GLU 90 Ca 0.01 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1yev h GLU 90 Cb 0.16 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1yev h GLU 90 CO -0.00 0.86 0.03 1.25 -1.00 0.00 0.00 179.01 180.15 1yev h LEU 91 N 1.30 0.06 -1.55 1.33 5.85 -1.10 0.68 115.31 121.89 1yev h LEU 91 Ca 0.34 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1yev h LEU 91 Cb -0.10 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1yev h LEU 91 CO -0.07 0.14 0.23 0.45 -0.34 0.00 0.00 178.44 178.85 1yev h HIS 92 N -0.02 0.51 0.00 1.25 3.86 -1.00 -1.35 115.15 118.41 1yev h HIS 92 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1yev h HIS 92 Cb 0.09 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1yev h HIS 92 CO -0.04 0.35 -0.10 0.00 0.86 0.00 0.00 177.93 179.00 1yev h ASP 94 N -0.73 0.63 0.03 0.00 3.32 0.31 -3.18 116.42 116.80 1yev h ASP 94 Ca 0.00 -0.46 -0.32 0.00 0.02 0.00 0.00 57.03 56.27 1yev h ASP 94 Cb 0.10 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1yev h ASP 94 CO 0.00 1.25 -1.77 0.29 -1.72 0.00 0.00 179.24 177.28 1yev n LYS 95 N -3.82 0.62 0.02 3.56 4.01 -0.60 -4.67 118.16 117.28 1yev n LYS 95 Ca -0.07 0.42 0.11 0.00 -0.51 0.00 0.00 58.31 58.26 1yev n LYS 95 Cb 0.79 -1.67 -0.01 0.00 -0.51 0.00 0.00 35.03 33.62 1yev n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1yev n LEU 96 N -4.12 0.59 -3.61 -0.35 4.77 -0.66 -5.01 117.00 108.61 1yev n LEU 96 Ca -0.38 -0.07 -0.20 0.00 -0.03 0.00 0.00 56.01 55.33 1yev n LEU 96 Cb 0.82 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.89 1yev n LEU 96 CO 0.21 0.06 0.02 1.41 -1.33 0.00 0.00 177.39 177.75 1yev n HIS 97 N -1.95 -2.07 -3.21 -1.77 8.25 -0.88 -4.97 115.22 108.62 1yev n HIS 97 Ca 0.01 0.89 -0.40 0.00 -0.26 0.00 0.00 57.72 57.96 1yev n HIS 97 Cb 0.44 -4.64 -0.07 0.00 1.12 0.00 0.00 29.99 26.84 1yev n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yev s VAL 98 N -3.53 5.07 -0.01 1.59 1.01 -0.85 -5.03 120.40 118.66 1yev s VAL 98 Ca 0.06 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 1yev s VAL 98 Cb -0.03 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 1yev s VAL 98 CO 0.78 0.13 1.77 -0.62 0.00 0.00 0.00 175.10 177.16 1yev s ASP 99 N 1.26 6.58 0.65 3.32 -1.08 -1.26 -4.77 116.67 121.37 1yev s ASP 99 Ca 0.25 2.43 0.33 0.00 -0.52 0.00 0.00 52.55 55.03 1yev s ASP 99 Cb -0.16 -2.54 1.78 0.00 -1.46 0.00 0.00 42.92 40.55 1yev s ASP 99 CO 0.10 -0.97 2.03 -0.65 0.52 0.00 0.00 175.17 176.20 1yev h PRO 100 N 9.76 0.00 -0.73 4.34 0.11 -1.97 0.38 132.00 143.90 1yev h PRO 100 Ca -0.43 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.88 1yev h PRO 100 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1yev h PRO 100 CO 0.95 0.00 0.52 0.93 -0.21 0.00 0.00 178.00 180.18 1yev h GLU 101 N 0.00 0.07 0.00 1.05 4.39 -2.00 0.34 114.58 118.43 1yev h GLU 101 Ca 0.03 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1yev h GLU 101 Cb 0.56 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1yev h GLU 101 CO -0.00 0.04 -0.09 -0.91 -1.16 0.00 0.00 179.01 176.90 1yev h ASN 102 N 0.07 0.00 -0.53 1.42 4.21 -1.29 -2.98 115.58 116.47 1yev h ASN 102 Ca 0.35 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.83 1yev h ASN 102 Cb 1.30 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.47 1yev h ASN 102 CO -0.03 0.09 0.25 -0.26 -1.29 0.00 0.00 177.43 176.19 1yev h PHE 103 N 0.00 0.81 -0.55 1.19 0.04 -1.10 -2.63 116.94 114.69 1yev h PHE 103 Ca -0.00 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1yev h PHE 103 Cb 0.35 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 1yev h PHE 103 CO 0.00 0.62 0.26 0.00 -0.60 0.00 0.00 178.31 178.59 1yev h ARG 104 N 0.81 0.80 -0.78 1.51 -0.00 -1.67 -1.96 114.38 113.09 1yev h ARG 104 Ca 0.20 -0.12 0.10 0.00 -0.50 0.00 0.00 59.98 59.66 1yev h ARG 104 Cb 0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 29.97 29.88 1yev h ARG 104 CO -0.02 0.65 0.42 -0.07 0.00 0.00 0.00 179.97 180.95 1yev h LEU 105 N 0.75 0.57 -0.36 3.04 3.38 -1.57 -0.87 115.31 120.26 1yev h LEU 105 Ca 0.19 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 1yev h LEU 105 Cb 0.12 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1yev h LEU 105 CO -0.02 0.32 -0.61 0.25 0.09 0.00 0.00 178.44 178.46 1yev h LEU 106 N 0.70 0.79 -0.43 1.67 5.85 -1.25 -1.99 115.31 120.64 1yev h LEU 106 Ca 0.39 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1yev h LEU 106 Cb 0.40 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1yev h LEU 106 CO -0.27 1.22 0.28 1.23 -0.34 0.00 0.00 178.44 180.56 1yev h GLY 107 N 0.86 0.61 1.62 3.75 0.00 -0.92 0.64 103.07 109.64 1yev h GLY 107 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 1yev h GLY 107 CO 0.12 0.21 -0.39 3.43 0.00 0.00 0.00 176.54 179.91 1yev h ASN 108 N 0.58 0.44 -0.55 0.19 2.35 -1.08 -1.29 115.58 116.22 1yev h ASN 108 Ca 0.16 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1yev h ASN 108 Cb -0.06 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1yev h ASN 108 CO -0.04 0.80 0.04 0.58 -1.65 0.00 0.00 177.43 177.16 1yev h VAL 109 N 0.35 1.26 -0.67 2.81 2.07 -1.15 -0.87 116.25 120.05 1yev h VAL 109 Ca 0.03 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1yev h VAL 109 Cb 0.85 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1yev h VAL 109 CO 0.07 0.37 0.40 0.25 0.02 0.00 0.00 177.57 178.69 1yev h LEU 110 N 0.82 0.81 -0.82 2.57 5.85 -0.68 0.37 115.31 124.23 1yev h LEU 110 Ca 0.16 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1yev h LEU 110 Cb 0.48 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1yev h LEU 110 CO 0.02 0.64 0.43 0.58 -0.34 0.00 0.00 178.44 179.77 1yev h VAL 111 N 0.92 1.25 -0.10 1.05 2.07 -0.96 -1.24 116.25 119.23 1yev h VAL 111 Ca 0.24 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1yev h VAL 111 Cb -0.02 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1yev h VAL 111 CO -0.04 0.28 -0.09 0.00 0.02 0.00 0.00 177.57 177.73 1yev h VAL 113 N 0.15 1.30 -0.96 0.00 2.07 -0.26 -2.48 116.25 116.06 1yev h VAL 113 Ca 0.03 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 65.76 1yev h VAL 113 Cb 0.26 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1yev h VAL 113 CO 0.01 0.57 0.60 -0.07 0.02 0.00 0.00 177.57 178.70 1yev h LEU 114 N 0.48 1.15 -0.90 2.57 3.38 -1.02 -2.43 115.31 118.53 1yev h LEU 114 Ca -0.01 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1yev h LEU 114 Cb 1.20 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1yev h LEU 114 CO 0.12 0.87 -0.21 0.00 0.09 0.00 0.00 178.44 179.31 1yev h ALA 115 N 1.33 1.07 -0.35 1.53 0.00 -1.39 0.04 119.26 121.50 1yev h ALA 115 Ca 0.35 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1yev h ALA 115 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1yev h ALA 115 CO -0.07 0.57 -0.20 1.25 0.00 0.00 0.00 179.25 180.79 1yev h HIS 116 N 0.50 0.74 0.06 0.00 -0.00 -1.13 0.12 115.15 115.44 1yev h HIS 116 Ca 0.08 -0.15 -0.27 0.00 -0.00 0.00 0.00 60.37 60.02 1yev h HIS 116 Cb 0.65 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 1yev h HIS 116 CO 0.02 0.81 -1.38 0.45 -0.00 0.00 0.00 177.93 177.84 1yev h HIS 117 N 0.58 0.25 0.00 5.26 -0.00 -1.23 -3.39 115.15 116.62 1yev h HIS 117 Ca 0.09 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1yev h HIS 117 Cb 0.67 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.07 1yev h HIS 117 CO 0.03 1.19 -1.14 1.19 -0.00 0.00 0.00 177.93 179.20 1yev n PHE 118 N -3.36 0.00 0.00 2.45 3.72 -0.02 -5.02 117.46 115.23 1yev n PHE 118 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1yev n PHE 118 Cb 1.01 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 1yev n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yev n GLY 119 N 1.44 3.24 0.32 1.37 0.00 0.03 -1.65 105.19 109.94 1yev n GLY 119 Ca 0.02 0.22 0.21 0.00 0.00 0.00 0.00 46.02 46.48 1yev n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yev h LYS 120 N 0.00 0.00 -0.00 1.61 1.79 -1.95 -0.38 116.57 117.64 1yev h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1yev h LYS 120 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1yev h LYS 120 CO 0.00 0.00 -0.11 -1.91 -1.08 0.00 0.00 179.45 176.35 1yev n GLU 121 N -3.13 0.03 -2.31 3.15 2.13 -0.66 -3.99 120.64 115.85 1yev n GLU 121 Ca -0.02 -0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.38 1yev n GLU 121 Cb 0.12 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.34 1yev n GLU 121 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1yev n PHE 122 N -1.48 2.65 -0.86 4.31 7.35 -0.15 -4.94 117.46 124.34 1yev n PHE 122 Ca 0.07 -2.73 -0.30 0.00 -0.76 0.00 0.00 57.45 53.73 1yev n PHE 122 Cb 0.34 -1.64 0.17 0.00 0.35 0.00 0.00 39.48 38.69 1yev n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yev s THR 123 N -1.84 2.38 0.23 -2.13 -4.23 -1.26 -4.62 115.64 104.17 1yev s THR 123 Ca 0.46 0.12 -0.08 0.00 -1.18 0.00 0.00 61.69 61.01 1yev s THR 123 Cb 0.16 -2.32 0.22 0.00 1.34 0.00 0.00 72.50 71.89 1yev s THR 123 CO -0.07 -0.16 1.68 -0.65 -0.54 0.00 0.00 174.62 174.88 1yev h PRO 124 N -1.85 0.20 -0.89 3.99 0.11 -1.95 -0.52 132.00 131.09 1yev h PRO 124 Ca -0.48 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.65 1yev h PRO 124 Cb 1.28 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 1yev h PRO 124 CO 0.48 0.13 0.58 -1.35 -0.21 0.00 0.00 178.00 177.63 1yev h PRO 125 N 0.21 1.08 -0.13 1.05 0.11 -2.00 -0.74 132.00 131.59 1yev h PRO 125 Ca 0.37 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 1yev h PRO 125 Cb 0.62 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1yev h PRO 125 CO -0.51 0.72 0.02 0.28 -0.21 0.00 0.00 178.00 178.30 1yev h VAL 126 N 1.11 1.22 -0.55 3.15 2.07 -1.63 -2.39 116.25 119.23 1yev h VAL 126 Ca 0.36 -0.69 0.11 0.00 0.82 0.00 0.00 66.70 67.30 1yev h VAL 126 Cb 0.02 1.44 -0.10 0.00 -1.52 0.00 0.00 31.29 31.13 1yev h VAL 126 CO -0.12 0.20 -0.10 -0.61 0.02 0.00 0.00 177.57 176.96 1yev h GLN 127 N -0.02 0.03 -0.87 1.57 4.15 -0.81 -1.45 115.11 117.71 1yev h GLN 127 Ca 0.04 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.47 1yev h GLN 127 Cb 0.30 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 1yev h GLN 127 CO 0.00 0.02 0.58 0.00 -1.93 0.00 0.00 178.83 177.50 1yev h ALA 128 N 1.53 1.12 -0.40 3.38 0.00 -0.94 0.63 119.26 124.58 1yev h ALA 128 Ca 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1yev h ALA 128 Cb 0.42 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1yev h ALA 128 CO -0.54 0.48 0.21 0.00 0.00 0.00 0.00 179.25 179.41 1yev h ALA 129 N 1.33 0.52 -0.20 0.00 0.00 -0.94 -2.58 119.26 117.39 1yev h ALA 129 Ca 0.33 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1yev h ALA 129 Cb -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1yev h ALA 129 CO -0.08 0.05 -0.33 1.88 0.00 0.00 0.00 179.25 180.76 1yev h TYR 130 N 0.52 0.47 -0.84 0.00 0.05 -0.60 -2.40 116.97 114.16 1yev h TYR 130 Ca 0.14 -0.11 0.05 0.00 0.05 0.00 0.00 58.73 58.86 1yev h TYR 130 Cb 0.07 -0.11 -0.06 0.00 1.01 0.00 0.00 36.73 37.65 1yev h TYR 130 CO -0.02 0.70 0.52 1.96 -1.05 0.00 0.00 178.16 180.27 1yev h GLN 131 N 0.35 0.95 -0.56 4.88 1.08 -0.67 -0.43 115.11 120.70 1yev h GLN 131 Ca 0.04 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1yev h GLN 131 Cb 0.76 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 1yev h GLN 131 CO 0.06 0.63 0.28 0.87 -0.95 0.00 0.00 178.83 179.72 1yev h LYS 132 N 0.98 0.80 -0.37 1.46 1.57 -1.16 -0.97 116.57 118.88 1yev h LYS 132 Ca 0.36 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1yev h LYS 132 Cb 0.12 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1yev h LYS 132 CO -0.15 0.65 0.23 0.28 -0.57 0.00 0.00 179.45 179.88 1yev h VAL 133 N 0.76 1.12 -0.25 0.50 2.07 -0.88 -1.97 116.25 117.60 1yev h VAL 133 Ca 0.19 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1yev h VAL 133 Cb 0.10 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1yev h VAL 133 CO -0.03 0.12 -0.27 0.58 0.02 0.00 0.00 177.57 177.99 1yev h VAL 134 N 0.49 1.27 -0.36 2.57 2.07 -0.97 -0.94 116.25 120.39 1yev h VAL 134 Ca 0.13 -1.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 1yev h VAL 134 Cb -0.00 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1yev h VAL 134 CO -0.03 0.42 -0.15 0.00 0.02 0.00 0.00 177.57 177.83 1yev h ALA 135 N 1.28 0.50 -0.11 1.67 0.00 -1.02 -1.59 119.26 119.98 1yev h ALA 135 Ca 0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1yev h ALA 135 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1yev h ALA 135 CO 0.05 0.40 -0.09 0.78 0.00 0.00 0.00 179.25 180.39 1yev h GLY 136 N 0.52 0.18 0.35 0.00 0.00 -1.01 0.12 103.07 103.23 1yev h GLY 136 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1yev h GLY 136 CO 0.05 0.09 -0.15 -2.08 0.00 0.00 0.00 176.54 174.45 1yev h VAL 137 N 0.16 1.58 -0.60 4.60 2.07 -1.00 -0.57 116.25 122.50 1yev h VAL 137 Ca 0.04 -1.90 0.12 0.00 0.82 0.00 0.00 66.70 65.77 1yev h VAL 137 Cb 0.27 2.82 -0.10 0.00 -1.52 0.00 0.00 31.29 32.76 1yev h VAL 137 CO 0.01 0.51 -0.03 0.00 0.02 0.00 0.00 177.57 178.09 1yev h ALA 138 N 0.24 0.55 -0.75 1.67 0.00 -0.99 0.73 119.26 120.71 1yev h ALA 138 Ca -0.02 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1yev h ALA 138 Cb 0.91 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1yev h ALA 138 CO 0.03 -0.40 0.30 -0.91 0.00 0.00 0.00 179.25 178.27 1yev h ASN 139 N 0.09 1.03 -0.19 0.00 -0.26 -0.67 -2.21 115.58 113.37 1yev h ASN 139 Ca 0.31 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 1yev h ASN 139 Cb 0.49 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 1yev h ASN 139 CO -0.53 0.91 0.08 0.00 -1.06 0.00 0.00 177.43 176.83 1yev h ALA 140 N 1.24 0.25 0.00 -0.83 0.00 0.14 -2.20 119.26 117.85 1yev h ALA 140 Ca 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1yev h ALA 140 Cb 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1yev h ALA 140 CO -0.02 -0.17 -0.03 -0.07 0.00 0.00 0.00 179.25 178.96 1yev h LEU 141 N 0.16 0.00 0.00 0.00 3.38 -0.69 -2.72 115.31 115.45 1yev h LEU 141 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1yev h LEU 141 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1yev h LEU 141 CO -0.01 0.03 -0.68 0.00 0.09 0.00 0.00 178.44 177.87 1yev h ALA 142 N 1.97 0.57 -0.20 1.53 0.00 -0.80 -3.41 119.26 118.92 1yev h ALA 142 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yev h ALA 142 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1yev h ALA 142 CO 0.00 0.00 0.13 1.25 0.00 0.00 0.00 179.25 180.64 1yev h HIS 143 N 0.00 0.25 -0.71 0.00 6.17 -1.12 -2.27 115.15 117.47 1yev h HIS 143 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1yev h HIS 143 Cb 0.79 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.64 1yev h HIS 143 CO 0.00 0.16 0.00 1.63 0.71 0.00 0.00 177.93 180.43 1yev n LYS 144 N -4.51 2.71 -1.95 5.26 4.76 -1.26 -4.94 118.16 118.23 1yev n LYS 144 Ca 0.00 -2.65 -0.41 0.00 -2.87 0.00 0.00 58.31 52.38 1yev n LYS 144 Cb 0.08 -1.57 -0.02 0.00 -1.84 0.00 0.00 35.03 31.67 1yev n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1yev s TYR 145 N -1.04 2.97 0.00 2.13 1.51 -0.86 -4.80 117.35 117.26 1yev s TYR 145 Ca 0.49 0.91 0.00 0.00 -1.01 0.00 0.00 57.07 57.46 1yev s TYR 145 Cb 0.26 -3.89 0.00 0.00 -0.11 0.00 0.00 41.96 38.21 1yev s TYR 145 CO 0.34 -2.98 0.05 -2.39 -1.11 0.00 0.00 175.55 169.45