#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4r n HIS 2 N 0.00 2.75 -3.12 2.03 -0.00 -1.26 -4.97 115.22 110.65 1y4r n HIS 2 Ca 0.00 -2.80 -0.42 0.00 -0.00 0.00 0.00 57.72 54.50 1y4r n HIS 2 Cb 0.00 -1.11 -0.07 0.00 -0.00 0.00 0.00 29.99 28.81 1y4r n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1y4r s LEU 3 N -3.59 4.27 0.65 0.27 1.02 -1.26 -5.03 118.68 115.01 1y4r s LEU 3 Ca 0.37 0.11 -0.14 0.00 0.02 0.00 0.00 54.13 54.49 1y4r s LEU 3 Cb 0.15 -2.77 -0.01 0.00 0.02 0.00 0.00 46.19 43.58 1y4r s LEU 3 CO -0.04 -0.60 1.08 0.42 0.02 0.00 0.00 176.35 177.23 1y4r s THR 4 N 2.70 3.64 0.25 5.49 -4.23 -1.26 -4.75 115.64 117.47 1y4r s THR 4 Ca 0.24 0.70 -0.04 0.00 -1.18 0.00 0.00 61.69 61.41 1y4r s THR 4 Cb -0.14 -3.25 0.26 0.00 1.34 0.00 0.00 72.50 70.70 1y4r s THR 4 CO 0.15 -0.53 1.67 -0.65 -0.54 0.00 0.00 174.62 174.71 1y4r h PRO 5 N -0.06 0.22 0.00 3.99 0.11 -1.99 0.28 132.00 134.56 1y4r h PRO 5 Ca -0.46 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1y4r h PRO 5 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1y4r h PRO 5 CO 0.56 0.14 -0.18 1.05 -0.21 0.00 0.00 178.00 179.36 1y4r h GLU 6 N 0.23 0.00 0.09 1.05 9.09 -1.99 -0.03 114.58 123.01 1y4r h GLU 6 Ca 0.45 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.60 1y4r h GLU 6 Cb 0.81 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.91 1y4r h GLU 6 CO -0.57 0.18 -1.15 0.93 0.05 0.00 0.00 179.01 178.45 1y4r h GLU 7 N 0.00 0.33 -0.18 1.06 5.08 -0.89 -2.84 114.58 117.15 1y4r h GLU 7 Ca -0.00 -0.48 -0.14 0.00 -1.00 0.00 0.00 59.36 57.73 1y4r h GLU 7 Cb 0.48 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1y4r h GLU 7 CO 0.02 1.19 -0.50 -0.22 -1.00 0.00 0.00 179.01 178.51 1y4r h LYS 8 N 0.13 0.49 -0.39 2.33 3.64 -0.33 -1.91 116.57 120.52 1y4r h LYS 8 Ca -0.12 -0.28 -0.14 0.00 -1.27 0.00 0.00 60.65 58.83 1y4r h LYS 8 Cb 1.85 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.68 1y4r h LYS 8 CO 0.19 0.87 -0.31 0.66 -2.27 0.00 0.00 179.45 178.60 1y4r h SER 9 N 0.38 0.96 -0.30 4.20 4.64 -1.07 -2.87 113.55 119.49 1y4r h SER 9 Ca 0.02 -0.44 -0.09 0.00 -0.47 0.00 0.00 61.79 60.80 1y4r h SER 9 Cb 1.01 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1y4r h SER 9 CO 0.09 1.20 -0.13 0.00 -0.87 0.00 0.00 176.83 177.12 1y4r h ALA 10 N 0.79 1.02 -0.14 5.18 0.00 -1.42 0.21 119.26 124.91 1y4r h ALA 10 Ca 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1y4r h ALA 10 Cb 0.90 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1y4r h ALA 10 CO 0.08 0.59 -0.02 0.28 0.00 0.00 0.00 179.25 180.18 1y4r h VAL 11 N 0.66 1.28 -0.45 0.00 2.07 -1.27 -2.92 116.25 115.62 1y4r h VAL 11 Ca 0.11 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 1y4r h VAL 11 Cb 0.59 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1y4r h VAL 11 CO 0.04 0.27 -0.12 0.74 0.02 0.00 0.00 177.57 178.52 1y4r h THR 12 N -0.04 1.27 -0.39 2.57 2.02 -1.50 -0.07 112.91 116.78 1y4r h THR 12 Ca 0.04 -1.24 -0.03 0.00 0.77 0.00 0.00 66.41 65.95 1y4r h THR 12 Cb 0.43 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1y4r h THR 12 CO 0.01 0.42 0.14 0.00 0.37 0.00 0.00 175.52 176.47 1y4r h ALA 13 N 0.86 0.50 -0.28 6.16 0.00 -0.60 -2.81 119.26 123.10 1y4r h ALA 13 Ca 0.11 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1y4r h ALA 13 Cb 0.66 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1y4r h ALA 13 CO 0.05 0.12 -0.44 1.25 0.00 0.00 0.00 179.25 180.23 1y4r h LEU 14 N 0.48 0.87 -2.35 0.00 5.85 -1.49 -2.94 115.31 115.74 1y4r h LEU 14 Ca 0.13 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1y4r h LEU 14 Cb 0.22 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1y4r h LEU 14 CO -0.01 1.22 0.08 -0.25 -0.34 0.00 0.00 178.44 179.15 1y4r h TRP 15 N 0.55 0.00 -0.01 1.25 2.91 -0.83 0.99 115.95 120.81 1y4r h TRP 15 Ca 0.02 0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.96 1y4r h TRP 15 Cb 1.04 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.68 1y4r h TRP 15 CO 0.08 0.00 -0.40 0.78 -1.03 0.00 0.00 178.44 177.87 1y4r h GLY 16 N 0.00 0.02 0.46 2.65 0.00 -1.31 -3.10 103.07 101.79 1y4r h GLY 16 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1y4r h GLY 16 CO 0.00 0.02 -0.27 0.28 0.00 0.00 0.00 176.54 176.57 1y4r n LYS 17 N -4.06 0.69 -2.68 4.80 5.02 0.34 -4.93 118.16 117.35 1y4r n LYS 17 Ca -0.02 -0.38 -0.40 0.00 -2.02 0.00 0.00 58.31 55.49 1y4r n LYS 17 Cb 0.43 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1y4r n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y4r s VAL 18 N -2.57 3.98 -0.78 -0.18 1.01 -1.17 -5.02 120.40 115.67 1y4r s VAL 18 Ca 0.23 1.94 -0.11 0.00 0.00 0.00 0.00 61.98 64.03 1y4r s VAL 18 Cb 0.19 -4.23 0.20 0.00 0.00 0.00 0.00 36.38 32.54 1y4r s VAL 18 CO 0.54 0.44 0.69 0.21 0.00 0.00 0.00 175.10 176.98 1y4r s ASN 19 N -0.94 6.40 0.42 3.32 2.47 -1.26 -4.94 114.94 120.42 1y4r s ASN 19 Ca 0.43 -2.73 0.18 0.00 0.42 0.00 0.00 52.86 51.16 1y4r s ASN 19 Cb -0.27 -2.13 1.09 0.00 -1.45 0.00 0.00 41.25 38.49 1y4r s ASN 19 CO 0.34 -0.53 1.87 -0.37 -3.72 0.00 0.00 177.10 174.69 1y4r h VAL 20 N 4.90 0.69 0.19 -5.21 -1.51 -1.95 0.38 116.25 113.74 1y4r h VAL 20 Ca 0.07 -0.14 0.01 0.00 -1.23 0.00 0.00 66.70 65.42 1y4r h VAL 20 Cb 1.02 0.26 -0.03 0.00 -2.13 0.00 0.00 31.29 30.41 1y4r h VAL 20 CO 0.75 0.07 -0.32 0.44 -1.23 0.00 0.00 177.57 177.28 1y4r h ASP 21 N 0.40 -0.90 0.93 4.19 3.32 -1.92 -0.56 116.42 121.87 1y4r h ASP 21 Ca 0.45 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.55 1y4r h ASP 21 Cb 1.13 0.33 0.01 0.00 0.22 0.00 0.00 39.33 41.02 1y4r h ASP 21 CO -0.16 -0.42 -0.45 -0.08 -1.72 0.00 0.00 179.24 176.41 1y4r h GLU 22 N -0.59 -1.20 -0.94 3.56 4.81 -1.58 -2.78 114.58 115.87 1y4r h GLU 22 Ca 0.01 0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 1y4r h GLU 22 Cb 0.59 0.27 -0.07 0.00 0.63 0.00 0.00 28.75 30.17 1y4r h GLU 22 CO -0.15 -0.80 0.60 0.28 -0.73 0.00 0.00 179.01 178.22 1y4r h VAL 23 N -1.29 1.00 -0.17 0.32 2.07 -0.99 -1.83 116.25 115.36 1y4r h VAL 23 Ca -0.13 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1y4r h VAL 23 Cb 0.95 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1y4r h VAL 23 CO 0.21 0.18 0.04 1.23 0.02 0.00 0.00 177.57 179.25 1y4r h GLY 24 N 0.99 0.19 1.07 2.17 0.00 -1.10 0.16 103.07 106.55 1y4r h GLY 24 Ca 0.43 -0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.65 1y4r h GLY 24 CO -0.19 0.01 0.03 -1.33 0.00 0.00 0.00 176.54 175.06 1y4r h GLY 25 N 0.11 1.14 0.84 4.60 0.00 -1.10 -2.43 103.07 106.22 1y4r h GLY 25 Ca 0.08 -0.81 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 1y4r h GLY 25 CO -0.10 0.75 -0.12 0.83 0.00 0.00 0.00 176.54 177.90 1y4r h GLU 26 N 0.95 0.48 -0.19 4.80 4.39 -1.06 -0.54 114.58 123.42 1y4r h GLU 26 Ca 0.18 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1y4r h GLU 26 Cb 0.52 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1y4r h GLU 26 CO 0.02 0.76 0.06 0.00 -1.16 0.00 0.00 179.01 178.70 1y4r h ALA 27 N 0.71 0.24 -0.14 3.43 0.00 -0.67 -0.91 119.26 121.93 1y4r h ALA 27 Ca 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1y4r h ALA 27 Cb 0.63 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1y4r h ALA 27 CO 0.04 -0.13 -0.04 1.25 0.00 0.00 0.00 179.25 180.36 1y4r h LEU 28 N 0.13 0.28 0.11 0.00 5.85 -1.47 -1.30 115.31 118.91 1y4r h LEU 28 Ca 0.06 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.43 1y4r h LEU 28 Cb 0.23 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1y4r h LEU 28 CO -0.00 0.59 -0.34 1.23 -0.34 0.00 0.00 178.44 179.58 1y4r h GLY 29 N -0.03 -0.64 0.93 3.75 0.00 -1.08 -1.99 103.07 104.00 1y4r h GLY 29 Ca 0.04 0.40 0.09 0.00 0.00 0.00 0.00 47.33 47.86 1y4r h GLY 29 CO 0.02 -0.25 0.48 3.21 0.00 0.00 0.00 176.54 179.99 1y4r h ARG 30 N -0.56 0.62 -0.69 4.80 3.08 -1.15 -1.07 114.38 119.41 1y4r h ARG 30 Ca 0.03 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1y4r h ARG 30 Cb 0.59 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1y4r h ARG 30 CO -0.21 0.41 0.33 1.25 -1.07 0.00 0.00 179.97 180.69 1y4r h LEU 31 N 0.64 0.90 -1.40 3.04 5.85 -0.53 0.27 115.31 124.07 1y4r h LEU 31 Ca 0.33 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1y4r h LEU 31 Cb 0.44 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1y4r h LEU 31 CO -0.11 0.78 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.55 1y4r h LEU 32 N 0.96 0.00 0.02 2.25 3.38 -0.57 -1.84 115.31 119.50 1y4r h LEU 32 Ca 0.24 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.98 1y4r h LEU 32 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1y4r h LEU 32 CO -0.03 0.14 -1.22 0.58 0.09 0.00 0.00 178.44 178.00 1y4r h VAL 33 N 0.00 0.97 -0.13 1.22 2.07 -1.07 -3.27 116.25 116.05 1y4r h VAL 33 Ca -0.00 -2.22 -0.18 0.00 0.82 0.00 0.00 66.70 65.12 1y4r h VAL 33 Cb 0.59 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1y4r h VAL 33 CO 0.02 0.41 -0.67 0.58 0.02 0.00 0.00 177.57 177.92 1y4r h VAL 34 N -0.88 1.34 -2.68 2.57 2.07 -0.46 -3.37 116.25 114.85 1y4r h VAL 34 Ca -0.32 -1.99 -0.61 0.00 0.82 0.00 0.00 66.70 64.60 1y4r h VAL 34 Cb 1.36 1.97 -0.41 0.00 -1.52 0.00 0.00 31.29 32.69 1y4r h VAL 34 CO -0.15 0.61 -0.69 -1.22 0.02 0.00 0.00 177.57 176.13 1y4r n TYR 35 N -3.90 2.27 0.31 1.57 4.01 -0.70 -4.96 117.16 115.76 1y4r n TYR 35 Ca -0.04 -4.03 0.17 0.00 -0.16 0.00 0.00 57.90 53.83 1y4r n TYR 35 Cb 0.68 -0.42 0.90 0.00 -0.31 0.00 0.00 39.34 40.19 1y4r n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y4r h PRO 36 N 5.07 0.00 0.00 -0.72 0.13 -1.73 0.35 132.00 135.10 1y4r h PRO 36 Ca 0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.28 1y4r h PRO 36 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1y4r h PRO 36 CO 0.66 0.00 -0.13 0.11 -0.23 0.00 0.00 178.00 178.40 1y4r h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.23 115.95 114.46 1y4r h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1y4r h TRP 37 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.63 1y4r h TRP 37 CO 0.00 0.13 0.00 0.25 0.09 0.00 0.00 178.44 178.91 1y4r n THR 38 N -4.29 1.01 0.46 0.12 -2.24 0.11 -1.67 114.28 107.78 1y4r n THR 38 Ca -0.03 0.53 0.06 0.00 -2.27 0.00 0.00 64.05 62.35 1y4r n THR 38 Cb 0.21 -1.50 0.28 0.00 -2.10 0.00 0.00 70.33 67.21 1y4r n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y4r n GLN 39 N -2.20 0.02 0.30 -0.78 6.02 -0.47 -2.96 117.38 117.32 1y4r n GLN 39 Ca 0.00 0.27 0.19 0.00 -0.01 0.00 0.00 57.00 57.45 1y4r n GLN 39 Cb 0.11 -1.50 1.01 0.00 1.02 0.00 0.00 30.24 30.88 1y4r n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y4r h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.52 -1.34 114.38 110.54 1y4r h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y4r h ARG 40 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1y4r h ARG 40 CO 0.00 0.00 -0.60 1.19 0.10 0.00 0.00 179.97 180.66 1y4r n PHE 41 N -3.31 0.00 -2.37 4.08 3.01 -1.15 -4.48 117.46 113.23 1y4r n PHE 41 Ca -0.02 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.18 1y4r n PHE 41 Cb 0.19 -0.18 0.01 0.00 -0.01 0.00 0.00 39.48 39.49 1y4r n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1y4r n PHE 42 N -1.43 3.26 0.98 1.38 3.01 -0.50 -4.77 117.46 119.38 1y4r n PHE 42 Ca 0.06 -2.91 0.12 0.00 1.01 0.00 0.00 57.45 55.73 1y4r n PHE 42 Cb 0.34 -0.15 0.57 0.00 -0.01 0.00 0.00 39.48 40.23 1y4r n PHE 42 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1y4r n GLU 43 N -0.53 0.12 0.00 -1.08 0.28 -1.26 -2.61 120.64 115.56 1y4r n GLU 43 Ca 0.40 0.06 0.12 0.00 -0.16 0.00 0.00 57.16 57.59 1y4r n GLU 43 Cb 0.73 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 32.31 1y4r n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1y4r n SER 44 N -1.43 2.47 0.10 -1.84 3.41 -1.26 -4.02 113.62 111.05 1y4r n SER 44 Ca 0.08 -1.80 0.13 0.00 -0.26 0.00 0.00 58.87 57.02 1y4r n SER 44 Cb 0.26 0.04 0.29 0.00 -0.26 0.00 0.00 64.21 64.55 1y4r n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y4r h ALA 45 N 4.52 0.85 0.00 7.33 0.00 -1.88 -3.50 119.26 126.57 1y4r h ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1y4r h ALA 45 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1y4r h ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1y4r n GLY 46 N 1.29 0.91 3.61 0.00 0.00 -1.26 -4.81 105.19 104.93 1y4r n GLY 46 Ca 0.04 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 1y4r n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y4r s ASP 47 N -4.00 6.40 -0.06 1.61 3.68 -1.26 -4.82 116.67 118.21 1y4r s ASP 47 Ca 0.00 0.96 0.09 0.00 2.13 0.00 0.00 52.55 55.73 1y4r s ASP 47 Cb 0.00 -2.54 0.14 0.00 -1.45 0.00 0.00 42.92 39.07 1y4r s ASP 47 CO 0.00 -1.36 1.03 0.18 0.13 0.00 0.00 175.17 175.16 1y4r n LEU 48 N 8.58 1.80 0.27 -1.34 4.77 -1.26 -4.13 117.00 125.69 1y4r n LEU 48 Ca 0.16 -2.25 0.10 0.00 -0.03 0.00 0.00 56.01 53.99 1y4r n LEU 48 Cb 0.48 -0.20 0.71 0.00 -2.33 0.00 0.00 43.42 42.07 1y4r n LEU 48 CO 0.68 0.53 1.08 0.77 -1.33 0.00 0.00 177.39 179.13 1y4r h SER 49 N 0.00 0.00 -5.33 -1.43 4.64 -1.90 -3.44 113.55 106.10 1y4r h SER 49 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1y4r h SER 49 Cb 0.87 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.81 1y4r h SER 49 CO 0.00 0.01 -0.62 0.42 -0.87 0.00 0.00 176.83 175.76 1y4r s THR 50 N -4.94 0.14 0.22 2.95 -4.23 -1.26 -5.03 115.64 103.49 1y4r s THR 50 Ca -0.05 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.39 1y4r s THR 50 Cb 0.16 -2.46 0.17 0.00 1.34 0.00 0.00 72.50 71.71 1y4r s THR 50 CO 0.64 -0.07 1.82 -0.65 -0.54 0.00 0.00 174.62 175.82 1y4r h PRO 51 N 2.61 0.77 -0.30 3.99 0.11 -1.99 -1.65 132.00 135.53 1y4r h PRO 51 Ca -0.36 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.58 1y4r h PRO 51 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1y4r h PRO 51 CO 0.55 0.51 -0.33 -0.44 -0.21 0.00 0.00 178.00 178.08 1y4r h ASP 52 N 0.79 0.67 0.15 -2.05 3.32 -1.97 0.65 116.42 117.98 1y4r h ASP 52 Ca 0.32 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1y4r h ASP 52 Cb 0.17 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1y4r h ASP 52 CO -0.17 0.95 -0.20 0.00 -1.72 0.00 0.00 179.24 178.09 1y4r h ALA 53 N 1.09 1.54 0.00 3.45 0.00 -1.68 -1.50 119.26 122.16 1y4r h ALA 53 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1y4r h ALA 53 Cb 0.83 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1y4r h ALA 53 CO 0.07 0.33 -0.11 0.28 0.00 0.00 0.00 179.25 179.82 1y4r h VAL 54 N 0.10 0.50 -0.41 0.00 2.07 -0.98 -3.11 116.25 114.42 1y4r h VAL 54 Ca 0.02 -1.40 0.05 0.00 0.82 0.00 0.00 66.70 66.19 1y4r h VAL 54 Cb 0.42 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1y4r h VAL 54 CO 0.03 0.17 0.28 0.24 0.02 0.00 0.00 177.57 178.31 1y4r h MET 55 N -1.00 0.34 -0.00 1.57 2.07 -0.89 -2.66 114.93 114.37 1y4r h MET 55 Ca -0.02 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1y4r h MET 55 Cb 0.37 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.02 1y4r h MET 55 CO -0.01 0.23 -0.86 0.41 1.07 0.00 0.00 176.91 177.75 1y4r n GLY 56 N -1.52 -0.91 3.66 8.32 0.00 -0.57 -4.84 105.19 109.33 1y4r n GLY 56 Ca 0.05 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 1y4r n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y4r n ASN 57 N -1.31 3.75 -0.27 1.61 2.85 -1.00 -4.86 115.26 116.03 1y4r n ASN 57 Ca 0.05 0.86 0.12 0.00 -0.11 0.00 0.00 54.58 55.51 1y4r n ASN 57 Cb 0.35 -1.46 0.38 0.00 1.24 0.00 0.00 39.78 40.29 1y4r n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1y4r h PRO 58 N 10.43 0.66 -0.42 1.20 0.13 -1.91 -1.11 132.00 140.98 1y4r h PRO 58 Ca -0.48 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.49 1y4r h PRO 58 Cb 1.26 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1y4r h PRO 58 CO 0.95 0.44 -0.23 0.87 -0.23 0.00 0.00 178.00 179.79 1y4r h LYS 59 N 0.68 0.86 -0.42 0.86 1.57 -1.89 -1.91 116.57 116.32 1y4r h LYS 59 Ca 0.46 -0.36 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 1y4r h LYS 59 Cb 0.76 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1y4r h LYS 59 CO -0.21 1.00 -0.27 0.28 -0.57 0.00 0.00 179.45 179.68 1y4r h VAL 60 N 0.74 1.27 -0.30 0.50 2.07 -1.56 -0.55 116.25 118.43 1y4r h VAL 60 Ca 0.10 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 1y4r h VAL 60 Cb 0.77 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1y4r h VAL 60 CO 0.06 0.48 0.16 0.11 0.02 0.00 0.00 177.57 178.40 1y4r h LYS 61 N 0.76 0.42 -0.46 1.57 1.57 -1.16 0.15 116.57 119.43 1y4r h LYS 61 Ca 0.09 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1y4r h LYS 61 Cb 0.83 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1y4r h LYS 61 CO 0.07 0.37 0.07 0.00 -0.57 0.00 0.00 179.45 179.39 1y4r h ALA 62 N 1.02 0.61 -0.27 3.86 0.00 -1.21 -2.27 119.26 121.01 1y4r h ALA 62 Ca 0.10 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1y4r h ALA 62 Cb 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1y4r h ALA 62 CO -0.02 0.34 -0.29 1.25 0.00 0.00 0.00 179.25 180.54 1y4r h HIS 63 N 0.62 0.80 -0.86 0.00 -0.00 -1.00 -2.89 115.15 111.82 1y4r h HIS 63 Ca 0.14 -0.25 0.14 0.00 -0.00 0.00 0.00 60.37 60.40 1y4r h HIS 63 Cb 0.40 -0.17 -0.09 0.00 -0.00 0.00 0.00 27.41 27.55 1y4r h HIS 63 CO 0.03 0.98 0.46 0.78 -0.00 0.00 0.00 177.93 180.18 1y4r h GLY 64 N 0.39 1.40 1.15 5.26 0.00 -0.54 -0.65 103.07 110.08 1y4r h GLY 64 Ca 0.04 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1y4r h GLY 64 CO 0.07 -0.00 0.15 1.70 0.00 0.00 0.00 176.54 178.45 1y4r h LYS 65 N 0.67 1.05 0.68 4.80 3.64 -1.37 -1.73 116.57 124.31 1y4r h LYS 65 Ca 0.46 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1y4r h LYS 65 Cb 0.62 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1y4r h LYS 65 CO -0.34 0.94 -0.33 -0.22 -2.27 0.00 0.00 179.45 177.23 1y4r h LYS 66 N 1.00 -0.88 -0.43 1.90 3.64 -0.97 -0.43 116.57 120.40 1y4r h LYS 66 Ca 0.21 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.74 1y4r h LYS 66 Cb 0.37 0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 32.30 1y4r h LYS 66 CO 0.00 -0.56 -0.15 0.28 -2.27 0.00 0.00 179.45 176.76 1y4r h VAL 67 N -1.05 0.50 0.00 2.00 2.07 -1.08 0.37 116.25 119.06 1y4r h VAL 67 Ca -0.09 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1y4r h VAL 67 Cb 0.73 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1y4r h VAL 67 CO 0.15 0.00 -0.42 -0.07 0.02 0.00 0.00 177.57 177.26 1y4r h LEU 68 N -0.05 0.00 0.54 2.57 3.38 -1.32 -0.65 115.31 119.78 1y4r h LEU 68 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1y4r h LEU 68 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1y4r h LEU 68 CO -0.47 0.42 -0.33 1.23 0.09 0.00 0.00 178.44 179.38 1y4r h GLY 69 N 1.32 -0.88 0.77 0.83 0.00 0.77 0.42 103.07 106.29 1y4r h GLY 69 Ca -0.00 0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.75 1y4r h GLY 69 CO 0.05 -0.32 0.50 0.00 0.00 0.00 0.00 176.54 176.77 1y4r h ALA 70 N -0.42 1.09 -0.59 3.60 0.00 -0.73 -2.17 119.26 120.04 1y4r h ALA 70 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1y4r h ALA 70 Cb 0.67 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1y4r h ALA 70 CO 0.06 0.26 0.25 0.35 0.00 0.00 0.00 179.25 180.17 1y4r h PHE 71 N 0.93 0.88 -0.90 0.00 3.57 -0.65 -2.22 116.94 118.54 1y4r h PHE 71 Ca 0.34 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 1y4r h PHE 71 Cb 0.12 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 1y4r h PHE 71 CO -0.04 0.69 0.56 0.77 -2.23 0.00 0.00 178.31 178.06 1y4r h SER 72 N 0.81 1.07 -0.87 0.41 0.02 0.45 -1.35 113.55 114.08 1y4r h SER 72 Ca 0.20 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1y4r h SER 72 Cb 0.17 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 1y4r h SER 72 CO -0.02 0.81 0.55 0.44 -1.14 0.00 0.00 176.83 177.48 1y4r h ASP 73 N 1.23 1.02 -1.00 3.07 5.19 -1.15 -1.20 116.42 123.59 1y4r h ASP 73 Ca 0.32 -0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.76 1y4r h ASP 73 Cb -0.07 -0.26 -0.07 0.00 0.18 0.00 0.00 39.33 39.11 1y4r h ASP 73 CO -0.06 0.76 0.65 1.23 -3.12 0.00 0.00 179.24 178.70 1y4r h GLY 74 N 1.20 1.53 2.00 2.75 0.00 -0.66 -1.22 103.07 108.66 1y4r h GLY 74 Ca 0.32 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1y4r h GLY 74 CO -0.06 0.34 0.00 1.04 0.00 0.00 0.00 176.54 177.85 1y4r n LEU 75 N -4.50 0.21 -0.81 3.11 4.77 -0.46 -1.82 117.00 117.49 1y4r n LEU 75 Ca 0.15 0.57 0.11 0.00 -0.03 0.00 0.00 56.01 56.81 1y4r n LEU 75 Cb 0.18 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 40.79 1y4r n LEU 75 CO 0.32 -0.45 0.54 0.00 -1.33 0.00 0.00 177.39 176.46 1y4r n ALA 76 N -1.59 2.73 -2.67 -1.18 0.00 -0.46 -4.33 120.51 113.01 1y4r n ALA 76 Ca 0.02 -0.67 -0.06 0.00 0.00 0.00 0.00 53.44 52.73 1y4r n ALA 76 Cb 0.13 -0.78 0.04 0.00 0.00 0.00 0.00 19.45 18.84 1y4r n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y4r n HIS 77 N 0.96 1.56 0.28 0.00 8.25 -0.76 -4.89 115.22 120.62 1y4r n HIS 77 Ca 0.12 -2.24 0.15 0.00 -0.26 0.00 0.00 57.72 55.49 1y4r n HIS 77 Cb 0.55 -0.26 0.78 0.00 1.12 0.00 0.00 29.99 32.18 1y4r n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y4r h LEU 78 N 2.57 0.00 0.10 2.41 4.07 -1.72 0.46 115.31 123.20 1y4r h LEU 78 Ca -0.04 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.66 1y4r h LEU 78 Cb 1.30 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.04 1y4r h LEU 78 CO 0.33 0.00 -1.24 -0.78 -1.08 0.00 0.00 178.44 175.67 1y4r h ASP 79 N 0.00 0.33 -2.05 -0.43 -0.00 -1.90 -3.40 116.42 108.98 1y4r h ASP 79 Ca 0.00 -0.37 -0.54 0.00 -0.00 0.00 0.00 57.03 56.12 1y4r h ASP 79 Cb 0.43 -0.11 -0.40 0.00 -0.00 0.00 0.00 39.33 39.25 1y4r h ASP 79 CO 0.00 1.29 -1.05 -3.20 -0.00 0.00 0.00 179.24 176.29 1y4r n ASN 80 N -3.48 1.18 -0.11 2.28 5.15 0.16 -4.94 115.26 115.50 1y4r n ASN 80 Ca -0.08 -2.98 -0.12 0.00 -0.60 0.00 0.00 54.58 50.80 1y4r n ASN 80 Cb 1.01 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 39.60 1y4r n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y4r h LEU 81 N 3.56 0.67 -0.51 1.20 3.38 -1.74 0.47 115.31 122.33 1y4r h LEU 81 Ca 0.10 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.72 1y4r h LEU 81 Cb 0.86 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 1y4r h LEU 81 CO 0.55 0.91 0.25 0.11 0.09 0.00 0.00 178.44 180.35 1y4r h LYS 82 N 0.41 0.47 0.47 1.13 1.57 -1.90 0.88 116.57 119.60 1y4r h LYS 82 Ca 0.07 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1y4r h LYS 82 Cb 0.66 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1y4r h LYS 82 CO 0.04 0.31 -0.23 0.78 -0.57 0.00 0.00 179.45 179.79 1y4r h GLY 83 N 0.48 -0.66 0.06 3.86 0.00 -1.93 -2.08 103.07 102.81 1y4r h GLY 83 Ca 0.23 0.24 0.12 0.00 0.00 0.00 0.00 47.33 47.92 1y4r h GLY 83 CO -0.17 -0.24 0.06 -0.84 0.00 0.00 0.00 176.54 175.34 1y4r h THR 84 N -0.80 0.56 -0.28 4.70 2.02 -0.41 -2.72 112.91 115.98 1y4r h THR 84 Ca -0.06 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1y4r h THR 84 Cb 0.56 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1y4r h THR 84 CO 0.11 0.03 0.00 0.49 0.37 0.00 0.00 175.52 176.52 1y4r n PHE 85 N -5.21 0.36 -0.07 3.16 3.01 0.30 -4.64 117.46 114.38 1y4r n PHE 85 Ca 0.09 -0.18 -0.07 0.00 1.01 0.00 0.00 57.45 58.29 1y4r n PHE 85 Cb 0.34 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1y4r n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y4r h ALA 86 N 4.11 0.28 -0.13 4.37 0.00 -1.04 0.26 119.26 127.12 1y4r h ALA 86 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1y4r h ALA 86 Cb 0.63 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1y4r h ALA 86 CO 0.00 -0.37 -0.33 1.79 0.00 0.00 0.00 179.25 180.33 1y4r h THR 87 N 0.14 1.28 -0.23 0.00 1.35 -1.83 -2.59 112.91 111.03 1y4r h THR 87 Ca 0.13 -1.33 -0.07 0.00 -0.55 0.00 0.00 66.41 64.59 1y4r h THR 87 Cb 0.15 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1y4r h THR 87 CO -0.19 0.40 -0.13 0.25 -0.25 0.00 0.00 175.52 175.60 1y4r h LEU 88 N 0.23 0.51 -0.36 3.87 5.85 -1.78 -1.98 115.31 121.65 1y4r h LEU 88 Ca 0.03 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.39 1y4r h LEU 88 Cb 0.70 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1y4r h LEU 88 CO 0.05 0.82 -0.00 -1.28 -0.34 0.00 0.00 178.44 177.69 1y4r h SER 89 N 0.20 -0.15 -0.72 1.25 0.87 -0.34 -1.27 113.55 113.39 1y4r h SER 89 Ca 0.05 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1y4r h SER 89 Cb 0.63 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.70 1y4r h SER 89 CO 0.04 -0.04 0.47 -0.33 -0.53 0.00 0.00 176.83 176.44 1y4r h GLU 90 N 0.10 0.93 -0.00 2.24 5.08 -1.35 -1.88 114.58 119.70 1y4r h GLU 90 Ca 0.17 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1y4r h GLU 90 Cb 0.24 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1y4r h GLU 90 CO -0.29 0.62 0.00 1.25 -1.00 0.00 0.00 179.01 179.58 1y4r h LEU 91 N 0.96 0.00 -1.09 1.33 5.85 -0.96 0.19 115.31 121.59 1y4r h LEU 91 Ca 0.27 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1y4r h LEU 91 Cb -0.08 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1y4r h LEU 91 CO -0.07 0.15 0.62 0.45 -0.34 0.00 0.00 178.44 179.25 1y4r h HIS 92 N -0.15 1.11 0.00 1.25 3.86 -1.05 0.54 115.15 120.71 1y4r h HIS 92 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1y4r h HIS 92 Cb 0.15 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1y4r h HIS 92 CO -0.03 0.58 0.00 0.00 0.86 0.00 0.00 177.93 179.35 1y4r h ASP 94 N 0.00 0.45 0.00 0.00 3.32 -0.64 -2.79 116.42 116.76 1y4r h ASP 94 Ca 0.00 -0.19 -0.34 0.00 0.02 0.00 0.00 57.03 56.52 1y4r h ASP 94 Cb 0.00 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 1y4r h ASP 94 CO 0.00 0.79 -2.17 0.29 -1.72 0.00 0.00 179.24 176.43 1y4r n LYS 95 N -4.04 0.46 0.10 3.56 4.01 0.18 -4.69 118.16 117.73 1y4r n LYS 95 Ca -0.01 0.17 0.01 0.00 -0.51 0.00 0.00 58.31 57.97 1y4r n LYS 95 Cb 0.48 -1.29 -0.02 0.00 -0.51 0.00 0.00 35.03 33.69 1y4r n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1y4r h LEU 96 N -0.55 0.00 -1.77 -0.35 3.38 -1.28 -3.49 115.31 111.26 1y4r h LEU 96 Ca -0.51 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.06 1y4r h LEU 96 Cb 1.53 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.37 1y4r h LEU 96 CO -0.25 0.57 -0.82 1.41 0.09 0.00 0.00 178.44 179.44 1y4r n HIS 97 N -3.12 -1.99 -3.24 1.13 8.25 0.14 -4.96 115.22 111.43 1y4r n HIS 97 Ca -0.02 0.86 -0.41 0.00 -0.26 0.00 0.00 57.72 57.90 1y4r n HIS 97 Cb 0.79 -4.56 -0.08 0.00 1.12 0.00 0.00 29.99 27.25 1y4r n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y4r s VAL 98 N -3.59 5.04 0.17 1.59 1.01 -0.24 -5.01 120.40 119.36 1y4r s VAL 98 Ca 0.01 0.57 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 1y4r s VAL 98 Cb -0.00 -3.90 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1y4r s VAL 98 CO 0.79 -0.09 1.77 -0.62 0.00 0.00 0.00 175.10 176.95 1y4r s ASP 99 N 1.68 6.40 0.57 3.32 3.68 -1.26 -4.75 116.67 126.32 1y4r s ASP 99 Ca 0.20 2.81 0.35 0.00 2.13 0.00 0.00 52.55 58.04 1y4r s ASP 99 Cb -0.15 -2.58 1.91 0.00 -1.45 0.00 0.00 42.92 40.64 1y4r s ASP 99 CO 0.12 -0.99 2.07 -0.65 0.13 0.00 0.00 175.17 175.85 1y4r h PRO 100 N 7.69 0.00 -0.18 4.34 0.11 -1.96 -1.49 132.00 140.49 1y4r h PRO 100 Ca -0.44 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1y4r h PRO 100 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1y4r h PRO 100 CO 0.95 0.00 0.13 1.49 -0.21 0.00 0.00 178.00 180.36 1y4r h GLU 101 N 0.00 0.05 -0.95 1.05 4.57 -1.98 -0.37 114.58 116.95 1y4r h GLU 101 Ca 0.00 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1y4r h GLU 101 Cb 0.15 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.67 1y4r h GLU 101 CO 0.00 0.04 0.62 -0.91 -1.18 0.00 0.00 179.01 177.57 1y4r h ASN 102 N 0.06 0.95 -0.38 1.04 -0.26 -1.64 -0.66 115.58 114.70 1y4r h ASN 102 Ca 0.08 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.78 1y4r h ASN 102 Cb 0.27 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 1y4r h ASN 102 CO -0.01 0.60 0.06 -0.26 -1.06 0.00 0.00 177.43 176.76 1y4r h PHE 103 N 1.08 0.74 -0.06 1.19 0.04 -1.25 -1.79 116.94 116.89 1y4r h PHE 103 Ca 0.41 -0.08 -0.23 0.00 2.80 0.00 0.00 57.97 60.88 1y4r h PHE 103 Cb 0.22 -0.21 0.01 0.00 2.20 0.00 0.00 35.95 38.16 1y4r h PHE 103 CO -0.00 0.66 -0.88 0.00 -0.60 0.00 0.00 178.31 177.49 1y4r h ARG 104 N 0.68 0.63 -0.32 1.51 3.08 -1.09 -2.50 114.38 116.36 1y4r h ARG 104 Ca 0.15 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1y4r h ARG 104 Cb 0.34 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1y4r h ARG 104 CO 0.01 1.20 0.21 -0.07 -1.07 0.00 0.00 179.97 180.25 1y4r h LEU 105 N 0.39 0.37 -1.11 3.04 3.38 -1.11 -1.80 115.31 118.48 1y4r h LEU 105 Ca -0.08 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1y4r h LEU 105 Cb 1.51 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.12 1y4r h LEU 105 CO 0.17 0.28 0.61 0.25 0.09 0.00 0.00 178.44 179.83 1y4r h LEU 106 N 0.43 1.02 -0.47 1.67 5.85 -1.36 -1.39 115.31 121.06 1y4r h LEU 106 Ca 0.12 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1y4r h LEU 106 Cb -0.04 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 1y4r h LEU 106 CO -0.02 0.71 0.24 1.23 -0.34 0.00 0.00 178.44 180.26 1y4r h GLY 107 N 1.19 0.65 1.06 3.75 0.00 -0.91 0.59 103.07 109.40 1y4r h GLY 107 Ca 0.35 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.44 1y4r h GLY 107 CO -0.10 0.12 0.13 3.43 0.00 0.00 0.00 176.54 180.12 1y4r h ASN 108 N 0.48 1.05 -0.15 0.19 2.35 -0.55 -1.12 115.58 117.83 1y4r h ASN 108 Ca 0.20 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1y4r h ASN 108 Cb 0.10 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1y4r h ASN 108 CO -0.14 1.03 0.02 0.58 -1.65 0.00 0.00 177.43 177.28 1y4r h VAL 109 N 1.02 1.23 -0.73 2.81 2.07 -0.89 -1.67 116.25 120.08 1y4r h VAL 109 Ca 0.21 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 67.05 1y4r h VAL 109 Cb 0.42 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 1y4r h VAL 109 CO 0.01 0.22 0.41 0.25 0.02 0.00 0.00 177.57 178.48 1y4r h LEU 110 N 0.02 0.59 -1.05 2.57 5.85 0.36 0.23 115.31 123.87 1y4r h LEU 110 Ca 0.04 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1y4r h LEU 110 Cb 0.32 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1y4r h LEU 110 CO 0.00 0.36 0.50 0.58 -0.34 0.00 0.00 178.44 179.54 1y4r h VAL 111 N 0.72 1.24 -0.27 1.05 2.07 -0.82 0.45 116.25 120.69 1y4r h VAL 111 Ca 0.34 -0.53 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 1y4r h VAL 111 Cb 0.27 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1y4r h VAL 111 CO -0.22 0.25 -0.30 0.00 0.02 0.00 0.00 177.57 177.32 1y4r h VAL 113 N 0.48 1.22 -0.54 0.00 2.07 0.77 0.23 116.25 120.47 1y4r h VAL 113 Ca 0.06 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 1y4r h VAL 113 Cb 0.76 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1y4r h VAL 113 CO 0.06 0.26 0.01 -0.07 0.02 0.00 0.00 177.57 177.85 1y4r h LEU 114 N 0.67 0.89 -0.39 2.57 3.38 -0.85 -1.58 115.31 120.00 1y4r h LEU 114 Ca 0.17 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1y4r h LEU 114 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1y4r h LEU 114 CO -0.01 0.94 0.06 0.00 0.09 0.00 0.00 178.44 179.52 1y4r h ALA 115 N 1.16 0.52 -0.47 1.53 0.00 -0.84 -1.19 119.26 119.97 1y4r h ALA 115 Ca 0.16 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1y4r h ALA 115 Cb 0.48 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1y4r h ALA 115 CO 0.02 0.23 0.11 1.25 0.00 0.00 0.00 179.25 180.86 1y4r h HIS 116 N 0.49 0.18 -0.03 0.00 -0.00 -0.14 -1.48 115.15 114.16 1y4r h HIS 116 Ca 0.12 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.42 1y4r h HIS 116 Cb 0.37 -0.01 0.01 0.00 -0.00 0.00 0.00 27.41 27.78 1y4r h HIS 116 CO 0.03 0.02 -0.35 0.45 -0.00 0.00 0.00 177.93 178.07 1y4r h HIS 117 N 0.25 0.41 -0.01 5.26 -0.00 -1.21 -3.35 115.15 116.51 1y4r h HIS 117 Ca 0.23 -0.20 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1y4r h HIS 117 Cb 0.29 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 1y4r h HIS 117 CO -0.21 0.97 -0.32 1.19 -0.00 0.00 0.00 177.93 179.57 1y4r n PHE 118 N -4.42 0.00 -0.74 2.45 3.01 -0.46 -5.02 117.46 112.29 1y4r n PHE 118 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1y4r n PHE 118 Cb 0.53 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 1y4r n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y4r n GLY 119 N 1.36 2.70 0.25 1.37 0.00 -0.56 -1.55 105.19 108.76 1y4r n GLY 119 Ca 0.11 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1y4r n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1y4r h LYS 120 N 0.00 0.00 0.00 1.61 3.11 -1.95 -0.32 116.57 119.02 1y4r h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1y4r h LYS 120 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1y4r h LYS 120 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 179.45 178.13 1y4r h GLU 121 N 0.00 0.00 -3.58 1.90 4.81 -1.68 -3.33 114.58 112.71 1y4r h GLU 121 Ca 0.00 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.47 1y4r h GLU 121 Cb 0.53 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.73 1y4r h GLU 121 CO 0.00 0.00 1.72 0.34 -0.73 0.00 0.00 179.01 180.34 1y4r n PHE 122 N -3.07 3.15 -1.26 0.92 7.35 -0.13 -4.93 117.46 119.48 1y4r n PHE 122 Ca 0.03 -2.86 -0.31 0.00 -0.76 0.00 0.00 57.45 53.55 1y4r n PHE 122 Cb 0.45 -1.87 0.09 0.00 0.35 0.00 0.00 39.48 38.51 1y4r n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y4r s THR 123 N 0.02 3.21 0.22 -2.13 -4.23 -1.25 -4.73 115.64 106.74 1y4r s THR 123 Ca 0.38 0.41 -0.13 0.00 -1.18 0.00 0.00 61.69 61.18 1y4r s THR 123 Cb 0.07 -2.86 0.27 0.00 1.34 0.00 0.00 72.50 71.32 1y4r s THR 123 CO 0.02 -0.50 1.61 -0.65 -0.54 0.00 0.00 174.62 174.56 1y4r h PRO 124 N -1.08 -0.00 -0.08 3.99 0.11 -1.94 0.37 132.00 133.37 1y4r h PRO 124 Ca -0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 1y4r h PRO 124 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1y4r h PRO 124 CO 0.51 -0.00 -0.16 -1.35 -0.21 0.00 0.00 178.00 176.79 1y4r h PRO 125 N -0.00 0.12 -0.06 1.05 0.11 -2.00 -1.72 132.00 129.50 1y4r h PRO 125 Ca 0.33 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 66.19 1y4r h PRO 125 Cb 0.51 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.61 1y4r h PRO 125 CO -0.72 0.28 -0.88 0.28 -0.21 0.00 0.00 178.00 176.75 1y4r h VAL 126 N 0.12 1.33 -0.55 3.15 2.07 -0.72 -2.79 116.25 118.85 1y4r h VAL 126 Ca 0.02 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.34 1y4r h VAL 126 Cb 0.35 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1y4r h VAL 126 CO 0.02 0.67 0.28 -0.61 0.02 0.00 0.00 177.57 177.96 1y4r h GLN 127 N 0.38 0.77 -0.35 1.57 4.15 -0.64 -1.27 115.11 119.71 1y4r h GLN 127 Ca -0.08 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 1y4r h GLN 127 Cb 1.51 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 29.03 1y4r h GLN 127 CO 0.17 0.61 0.15 0.00 -1.93 0.00 0.00 178.83 177.84 1y4r h ALA 128 N 1.12 1.61 -0.12 3.38 0.00 -1.27 0.25 119.26 124.23 1y4r h ALA 128 Ca 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1y4r h ALA 128 Cb 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1y4r h ALA 128 CO -0.03 0.31 -0.01 0.00 0.00 0.00 0.00 179.25 179.53 1y4r h ALA 129 N 1.68 0.16 -0.34 0.00 0.00 -1.13 -2.78 119.26 116.85 1y4r h ALA 129 Ca 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1y4r h ALA 129 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1y4r h ALA 129 CO -0.02 -0.13 0.05 1.88 0.00 0.00 0.00 179.25 181.03 1y4r h TYR 130 N -0.06 0.52 -0.33 0.00 0.05 -0.53 -2.39 116.97 114.22 1y4r h TYR 130 Ca 0.03 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1y4r h TYR 130 Cb 0.38 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 1y4r h TYR 130 CO 0.04 0.48 0.22 1.96 -1.05 0.00 0.00 178.16 179.81 1y4r h GLN 131 N 0.50 0.44 -0.89 4.88 1.08 -0.41 0.14 115.11 120.84 1y4r h GLN 131 Ca 0.11 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1y4r h GLN 131 Cb 0.25 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 1y4r h GLN 131 CO 0.00 0.29 0.56 0.87 -0.95 0.00 0.00 178.83 179.60 1y4r h LYS 132 N 0.45 1.20 0.10 1.46 1.57 -1.19 -2.42 116.57 117.73 1y4r h LYS 132 Ca 0.12 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1y4r h LYS 132 Cb -0.05 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.00 1y4r h LYS 132 CO -0.03 0.82 -0.05 0.28 -0.57 0.00 0.00 179.45 179.91 1y4r h VAL 133 N 1.22 1.11 -0.62 0.50 2.07 -0.91 0.04 116.25 119.66 1y4r h VAL 133 Ca 0.32 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1y4r h VAL 133 Cb -0.09 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1y4r h VAL 133 CO -0.06 0.20 0.39 -0.37 0.02 0.00 0.00 177.57 177.75 1y4r h VAL 134 N -0.51 1.17 -0.14 2.57 -1.51 -0.68 0.10 116.25 117.26 1y4r h VAL 134 Ca -0.01 -0.34 -0.02 0.00 -1.23 0.00 0.00 66.70 65.09 1y4r h VAL 134 Cb 0.42 0.27 -0.00 0.00 -2.13 0.00 0.00 31.29 29.85 1y4r h VAL 134 CO 0.02 0.17 -0.01 0.00 -1.23 0.00 0.00 177.57 176.52 1y4r h ALA 135 N 1.58 0.18 -0.68 5.19 0.00 -1.40 0.08 119.26 124.22 1y4r h ALA 135 Ca 0.23 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1y4r h ALA 135 Cb -0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1y4r h ALA 135 CO -0.05 -0.10 0.41 0.78 0.00 0.00 0.00 179.25 180.29 1y4r h GLY 136 N -0.03 0.99 0.82 0.00 0.00 -0.26 0.69 103.07 105.27 1y4r h GLY 136 Ca 0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1y4r h GLY 136 CO 0.01 0.23 -0.04 -2.08 0.00 0.00 0.00 176.54 174.66 1y4r h VAL 137 N 0.78 1.28 -0.79 4.60 2.07 -0.62 -0.55 116.25 123.02 1y4r h VAL 137 Ca 0.29 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1y4r h VAL 137 Cb 0.08 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1y4r h VAL 137 CO -0.14 0.31 0.46 0.00 0.02 0.00 0.00 177.57 178.23 1y4r h ALA 138 N 0.76 1.33 -0.27 1.67 0.00 -0.55 0.15 119.26 122.35 1y4r h ALA 138 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1y4r h ALA 138 Cb 0.48 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1y4r h ALA 138 CO 0.02 0.57 0.14 -0.91 0.00 0.00 0.00 179.25 179.07 1y4r h ASN 139 N 1.09 0.34 -0.66 0.00 -0.26 -0.71 -2.03 115.58 113.36 1y4r h ASN 139 Ca 0.28 -0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.89 1y4r h ASN 139 Cb -0.02 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.12 1y4r h ASN 139 CO -0.05 0.35 0.32 0.00 -1.06 0.00 0.00 177.43 176.99 1y4r h ALA 140 N 1.01 1.28 0.00 -0.83 0.00 -0.51 -1.37 119.26 118.84 1y4r h ALA 140 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1y4r h ALA 140 Cb 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1y4r h ALA 140 CO -0.01 0.55 0.00 -0.07 0.00 0.00 0.00 179.25 179.72 1y4r h LEU 141 N 0.97 0.00 0.00 0.00 3.38 -0.36 -2.99 115.31 116.31 1y4r h LEU 141 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1y4r h LEU 141 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1y4r h LEU 141 CO -0.03 0.00 -1.23 0.00 0.09 0.00 0.00 178.44 177.27 1y4r n ALA 142 N -1.97 4.30 -0.25 1.53 0.00 -0.79 -4.37 120.51 118.96 1y4r n ALA 142 Ca 0.02 -0.58 0.18 0.00 0.00 0.00 0.00 53.44 53.06 1y4r n ALA 142 Cb 0.30 -0.76 0.50 0.00 0.00 0.00 0.00 19.45 19.49 1y4r n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1y4r h HIS 143 N 0.00 0.58 -0.38 0.00 2.07 -1.12 -1.65 115.15 114.64 1y4r h HIS 143 Ca 0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1y4r h HIS 143 Cb 0.61 -0.18 0.00 0.00 2.57 0.00 0.00 27.41 30.42 1y4r h HIS 143 CO 0.00 0.16 0.00 1.63 -3.07 0.00 0.00 177.93 176.65 1y4r n LYS 144 N -4.52 2.06 -2.48 5.12 4.76 -1.26 -4.93 118.16 116.91 1y4r n LYS 144 Ca 0.19 -1.63 -0.36 0.00 -2.87 0.00 0.00 58.31 53.64 1y4r n LYS 144 Cb 0.68 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.44 1y4r n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y4r s TYR 145 N -1.50 3.10 0.00 2.13 2.02 -0.62 -4.77 117.35 117.71 1y4r s TYR 145 Ca 0.33 1.60 0.00 0.00 -0.37 0.00 0.00 57.07 58.63 1y4r s TYR 145 Cb 0.18 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.57 1y4r s TYR 145 CO 0.24 -0.89 0.00 -2.39 -1.57 0.00 0.00 175.55 170.95