#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykh h ASP 3 N 0.00 0.43 -0.99 8.00 3.32 -2.04 -2.99 116.42 122.14 1ykh h ASP 3 Ca 0.00 -0.82 0.13 0.00 0.02 0.00 0.00 57.03 56.36 1ykh h ASP 3 Cb 0.00 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 39.33 1ykh h ASP 3 CO 0.00 1.19 0.62 0.03 -1.72 0.00 0.00 179.24 179.36 1ykh h ARG 4 N -0.29 0.91 -0.00 3.56 3.08 -1.98 0.44 114.38 120.10 1ykh h ARG 4 Ca -0.08 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1ykh h ARG 4 Cb 1.31 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1ykh h ARG 4 CO 0.11 0.60 -0.25 1.98 -1.07 0.00 0.00 179.97 181.34 1ykh h MET 5 N 0.94 0.00 0.11 0.04 4.05 -1.96 -0.43 114.93 117.69 1ykh h MET 5 Ca 0.51 -0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.64 1ykh h MET 5 Cb 0.55 -0.00 0.03 0.00 -0.80 0.00 0.00 31.60 31.38 1ykh h MET 5 CO -0.29 0.26 -1.18 1.15 0.23 0.00 0.00 176.91 177.08 1ykh h THR 6 N 0.00 1.30 -0.09 -0.77 2.02 -0.17 -2.43 112.91 112.78 1ykh h THR 6 Ca -0.00 -2.43 -0.05 0.00 0.77 0.00 0.00 66.41 64.70 1ykh h THR 6 Cb 0.45 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 1ykh h THR 6 CO 0.03 0.74 -0.18 1.56 0.37 0.00 0.00 175.52 178.04 1ykh h GLN 7 N 0.23 0.14 -0.28 6.66 4.20 -0.14 0.13 115.11 126.04 1ykh h GLN 7 Ca -0.18 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.34 1ykh h GLN 7 Cb 1.86 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.62 1ykh h GLN 7 CO 0.23 0.32 -0.47 1.25 -0.67 0.00 0.00 178.83 179.49 1ykh h LEU 8 N 0.13 0.82 -0.02 1.46 5.85 -1.04 0.08 115.31 122.59 1ykh h LEU 8 Ca 0.02 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 1ykh h LEU 8 Cb 0.40 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1ykh h LEU 8 CO 0.03 1.15 -0.00 1.56 -0.34 0.00 0.00 178.44 180.84 1ykh h GLN 9 N 0.60 0.03 -0.45 1.25 1.08 -0.76 -0.43 115.11 116.43 1ykh h GLN 9 Ca 0.03 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1ykh h GLN 9 Cb 1.03 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 1ykh h GLN 9 CO 0.10 0.38 0.17 0.82 -0.95 0.00 0.00 178.83 179.35 1ykh h ILE 10 N -0.32 1.18 0.37 2.54 2.04 -0.80 0.37 117.51 122.89 1ykh h ILE 10 Ca 0.00 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1ykh h ILE 10 Cb 0.37 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1ykh h ILE 10 CO 0.00 0.22 -0.18 0.00 0.00 0.00 0.00 178.15 178.19 1ykh h LEU 12 N -0.80 0.69 -0.04 0.00 5.85 -0.81 -1.19 115.31 119.01 1ykh h LEU 12 Ca -0.05 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1ykh h LEU 12 Cb 0.53 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1ykh h LEU 12 CO 0.08 0.36 -0.04 0.44 -0.34 0.00 0.00 178.44 178.95 1ykh h ASP 13 N 0.74 -0.11 -0.40 1.25 5.19 -0.67 -1.06 116.42 121.35 1ykh h ASP 13 Ca 0.44 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.86 1ykh h ASP 13 Cb 0.65 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 1ykh h ASP 13 CO -0.20 -0.05 0.19 1.56 -3.12 0.00 0.00 179.24 177.62 1ykh h GLN 14 N -0.05 0.63 -0.21 3.56 4.20 -0.39 -2.43 115.11 120.42 1ykh h GLN 14 Ca 0.03 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 1ykh h GLN 14 Cb 0.09 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1ykh h GLN 14 CO -0.07 0.51 -0.36 1.98 -0.67 0.00 0.00 178.83 180.21 1ykh h MET 15 N 0.63 0.62 -0.99 1.46 4.05 -0.95 -1.62 114.93 118.12 1ykh h MET 15 Ca 0.16 -0.38 0.13 0.00 -0.28 0.00 0.00 59.70 59.32 1ykh h MET 15 Cb 0.10 0.04 -0.09 0.00 -0.80 0.00 0.00 31.60 30.86 1ykh h MET 15 CO -0.02 1.00 0.62 1.15 0.23 0.00 0.00 176.91 179.89 1ykh h THR 16 N 0.31 0.87 -0.35 -0.77 2.02 -0.85 0.63 112.91 114.77 1ykh h THR 16 Ca 0.01 -0.32 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 1ykh h THR 16 Cb 0.96 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1ykh h THR 16 CO 0.08 0.17 -0.21 -0.33 0.37 0.00 0.00 175.52 175.61 1ykh h GLU 17 N 0.94 0.76 -0.78 6.66 5.08 -1.28 -2.33 114.58 123.63 1ykh h GLU 17 Ca 0.51 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1ykh h GLU 17 Cb 0.57 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1ykh h GLU 17 CO -0.29 0.97 0.39 1.96 -1.00 0.00 0.00 179.01 181.04 1ykh h GLN 18 N 0.55 1.11 -0.55 2.33 4.20 -0.06 0.13 115.11 122.82 1ykh h GLN 18 Ca 0.07 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1ykh h GLN 18 Cb 0.76 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1ykh h GLN 18 CO 0.06 0.84 0.21 0.74 -0.67 0.00 0.00 178.83 180.01 1ykh h PHE 19 N 1.11 0.81 -0.19 2.96 -1.00 -0.82 0.56 116.94 120.36 1ykh h PHE 19 Ca 0.27 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.95 1ykh h PHE 19 Cb 0.09 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 1ykh h PHE 19 CO 0.01 0.63 -0.09 0.00 -1.61 0.00 0.00 178.31 177.25 1ykh h ALA 21 N 0.69 1.65 0.25 0.00 0.00 -0.42 0.29 119.26 121.73 1ykh h ALA 21 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ykh h ALA 21 Cb 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ykh h ALA 21 CO 0.03 0.32 -0.12 1.15 0.00 0.00 0.00 179.25 180.63 1ykh h THR 22 N 0.65 0.25 -0.70 0.00 2.02 -0.66 -1.51 112.91 112.96 1ykh h THR 22 Ca 0.17 -0.86 0.15 0.00 0.77 0.00 0.00 66.41 66.65 1ykh h THR 22 Cb -0.07 0.43 -0.12 0.00 -1.74 0.00 0.00 68.15 66.66 1ykh h THR 22 CO -0.04 0.07 0.06 -0.07 0.37 0.00 0.00 175.52 175.91 1ykh h LEU 23 N -1.04 -0.21 -0.83 2.58 3.38 -0.18 0.39 115.31 119.40 1ykh h LEU 23 Ca -0.03 0.17 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1ykh h LEU 23 Cb 0.37 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1ykh h LEU 23 CO 0.06 -0.11 -0.43 0.78 0.09 0.00 0.00 178.44 178.82 1ykh h ASN 24 N 0.16 0.00 -0.03 -0.43 2.35 -1.04 0.12 115.58 116.72 1ykh h ASN 24 Ca 0.38 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.10 1ykh h ASN 24 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1ykh h ASN 24 CO -0.57 0.43 -0.12 0.22 -1.65 0.00 0.00 177.43 175.74 1ykh h TYR 25 N 0.00 0.17 0.00 1.19 3.20 0.22 -2.62 116.97 119.13 1ykh h TYR 25 Ca -0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1ykh h TYR 25 Cb 0.98 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1ykh h TYR 25 CO 0.00 0.76 0.00 -0.89 -1.64 0.00 0.00 178.16 176.39 1ykh n ILE 26 N -4.64 0.00 -0.01 1.81 5.41 0.11 -2.23 119.36 119.81 1ykh n ILE 26 Ca -0.09 0.72 -0.00 0.00 1.00 0.00 0.00 62.75 64.38 1ykh n ILE 26 Cb 0.39 -1.69 -0.00 0.00 -0.71 0.00 0.00 39.64 37.63 1ykh n ILE 26 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1ykh n ASP 27 N -0.23 -0.02 0.32 4.38 -0.08 0.42 -1.56 116.55 119.78 1ykh n ASP 27 Ca 0.00 0.11 -0.17 0.00 -1.51 0.00 0.00 54.79 53.22 1ykh n ASP 27 Cb 0.00 -0.04 -0.08 0.00 2.34 0.00 0.00 41.12 43.33 1ykh n ASP 27 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1ykh h LYS 28 N 0.00 -0.81 0.00 -0.67 1.57 -1.59 -3.29 116.57 111.78 1ykh h LYS 28 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1ykh h LYS 28 Cb 0.01 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1ykh h LYS 28 CO -0.02 -0.54 0.00 0.09 -0.57 0.00 0.00 179.45 178.41 1ykh n ASN 29 N -5.47 0.00 -4.73 0.86 3.02 -0.60 -4.68 115.26 103.66 1ykh n ASN 29 Ca -0.12 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.02 1ykh n ASN 29 Cb 0.36 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.49 1ykh n ASN 29 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1ykh s HIS 30 N 0.00 3.69 -0.51 3.10 3.76 -1.20 -4.74 115.29 119.39 1ykh s HIS 30 Ca 0.00 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.44 1ykh s HIS 30 Cb 0.00 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.76 1ykh s HIS 30 CO 0.00 0.15 0.21 0.41 -0.85 0.00 0.00 174.74 174.66 1ykh n GLY 31 N 2.66 0.50 2.15 -2.22 0.00 -1.24 -3.98 105.19 103.06 1ykh n GLY 31 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 1ykh n GLY 31 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ykh n PHE 32 N 0.60 -0.54 -2.82 1.61 7.35 -1.26 -4.88 117.46 117.52 1ykh n PHE 32 Ca 0.00 0.12 -0.02 0.00 -0.76 0.00 0.00 57.45 56.79 1ykh n PHE 32 Cb 0.11 -2.09 0.00 0.00 0.35 0.00 0.00 39.48 37.85 1ykh n PHE 32 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1ykh n GLU 33 N -1.76 -1.38 0.10 -4.13 1.02 -1.26 -5.17 120.64 108.05 1ykh n GLU 33 Ca -0.05 1.51 -0.05 0.00 -0.02 0.00 0.00 57.16 58.55 1ykh n GLU 33 Cb 0.55 -5.23 0.07 0.00 -0.02 0.00 0.00 31.44 26.81 1ykh n GLU 33 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ykh h VAL 49 N 0.73 1.47 -3.87 2.62 2.07 -1.91 -3.52 116.25 113.83 1ykh h VAL 49 Ca 0.00 -2.37 -0.47 0.00 0.82 0.00 0.00 66.70 64.68 1ykh h VAL 49 Cb 0.97 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 1ykh h VAL 49 CO 0.24 0.69 0.32 -0.69 0.02 0.00 0.00 177.57 178.15 1ykh s VAL 50 N -3.43 4.26 1.04 2.57 1.01 -1.26 -5.04 120.40 119.54 1ykh s VAL 50 Ca -0.02 1.75 -0.14 0.00 0.00 0.00 0.00 61.98 63.56 1ykh s VAL 50 Cb 0.11 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 32.65 1ykh s VAL 50 CO 0.80 0.10 0.50 -0.81 0.00 0.00 0.00 175.10 175.69 1ykh n PRO 51 N 0.45 -1.08 0.27 2.72 -0.04 -1.26 -4.70 135.00 131.36 1ykh n PRO 51 Ca 0.02 -0.28 -0.15 0.00 -0.04 0.00 0.00 63.50 63.06 1ykh n PRO 51 Cb 0.51 -1.94 -0.08 0.00 -0.04 0.00 0.00 33.50 31.95 1ykh n PRO 51 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1ykh h PRO 52 N -1.96 -0.67 0.00 0.54 0.13 -1.99 -1.29 132.00 126.76 1ykh h PRO 52 Ca -0.50 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ykh h PRO 52 Cb 1.31 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1ykh h PRO 52 CO 0.39 -0.36 0.00 -1.91 -0.23 0.00 0.00 178.00 175.89 1ykh n GLU 53 N -5.29 0.06 -0.07 0.86 4.07 -1.26 -2.10 120.64 116.90 1ykh n GLU 53 Ca -0.11 0.48 -0.06 0.00 -0.06 0.00 0.00 57.16 57.41 1ykh n GLU 53 Cb 0.32 -1.65 -0.03 0.00 -0.06 0.00 0.00 31.44 30.01 1ykh n GLU 53 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1ykh h GLU 54 N 0.00 0.00 -0.46 5.31 4.39 -1.87 -3.23 114.58 118.72 1ykh h GLU 54 Ca 0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 1ykh h GLU 54 Cb 0.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1ykh h GLU 54 CO 0.00 0.19 0.56 0.35 -1.16 0.00 0.00 179.01 178.95 1ykh h PHE 55 N -1.00 0.00 0.06 4.33 3.57 -0.96 0.61 116.94 123.55 1ykh h PHE 55 Ca -0.05 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.23 1ykh h PHE 55 Cb 0.50 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.26 1ykh h PHE 55 CO -0.09 0.00 -0.91 0.66 -2.23 0.00 0.00 178.31 175.75 1ykh h SER 56 N 0.00 0.70 0.13 0.41 4.64 -1.55 -2.89 113.55 114.98 1ykh h SER 56 Ca 0.22 -0.81 -0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1ykh h SER 56 Cb 1.33 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1ykh h SER 56 CO -0.00 1.42 -0.12 0.78 -0.87 0.00 0.00 176.83 178.04 1ykh h ASN 57 N 0.05 -0.34 -0.41 4.97 2.35 -0.89 -2.52 115.58 118.80 1ykh h ASN 57 Ca -0.13 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1ykh h ASN 57 Cb 1.62 0.11 -0.09 0.00 0.05 0.00 0.00 38.32 40.01 1ykh h ASN 57 CO 0.18 -0.17 -0.28 0.71 -1.65 0.00 0.00 177.43 176.22 1ykh h THR 58 N -0.25 0.28 -1.15 2.81 1.35 -1.69 0.39 112.91 114.65 1ykh h THR 58 Ca -0.02 0.00 0.33 0.00 -0.55 0.00 0.00 66.41 66.17 1ykh h THR 58 Cb 0.22 0.28 -0.10 0.00 -1.73 0.00 0.00 68.15 66.82 1ykh h THR 58 CO -0.01 0.00 0.75 0.40 -0.25 0.00 0.00 175.52 176.41 1ykh h ILE 59 N -0.21 0.38 0.13 6.82 1.08 -1.47 0.47 117.51 124.70 1ykh h ILE 59 Ca 0.19 -0.09 -0.24 0.00 -0.39 0.00 0.00 64.86 64.33 1ykh h ILE 59 Cb 0.51 0.11 0.03 0.00 -3.07 0.00 0.00 36.82 34.39 1ykh h ILE 59 CO -0.53 0.05 -1.03 0.44 -0.69 0.00 0.00 178.15 176.39 1ykh h ASP 60 N 0.25 0.69 0.60 1.72 5.19 -0.51 -2.06 116.42 122.30 1ykh h ASP 60 Ca 0.67 -0.87 -0.05 0.00 -0.62 0.00 0.00 57.03 56.16 1ykh h ASP 60 Cb 1.95 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 41.23 1ykh h ASP 60 CO -0.30 1.49 -0.23 -0.08 -3.12 0.00 0.00 179.24 177.00 1ykh h GLU 61 N -0.02 0.00 0.12 3.56 4.81 0.15 0.25 114.58 123.46 1ykh h GLU 61 Ca -0.17 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.78 1ykh h GLU 61 Cb 1.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.14 1ykh h GLU 61 CO 0.20 0.23 -1.32 -0.07 -0.73 0.00 0.00 179.01 177.33 1ykh h LEU 62 N 0.00 0.40 0.00 1.64 3.38 -0.22 -3.18 115.31 117.33 1ykh h LEU 62 Ca -0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1ykh h LEU 62 Cb 0.60 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ykh h LEU 62 CO 0.03 1.37 -0.43 0.77 0.09 0.00 0.00 178.44 180.27 1ykh h SER 63 N 0.07 0.00 -0.04 -0.43 4.64 -1.07 -3.09 113.55 113.63 1ykh h SER 63 Ca -0.16 -0.10 -0.22 0.00 -0.47 0.00 0.00 61.79 60.84 1ykh h SER 63 Cb 1.98 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 64.09 1ykh h SER 63 CO 0.19 0.05 -0.82 0.74 -0.87 0.00 0.00 176.83 176.12 1ykh h THR 64 N 0.00 1.32 -0.59 2.95 2.02 -0.56 -2.70 112.91 115.35 1ykh h THR 64 Ca 0.00 -2.10 -0.09 0.00 0.77 0.00 0.00 66.41 64.99 1ykh h THR 64 Cb 0.80 2.33 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 1ykh h THR 64 CO 0.00 0.64 0.02 0.44 0.37 0.00 0.00 175.52 176.99 1ykh h ASP 65 N 0.27 1.00 -0.01 4.18 3.32 -1.62 -2.06 116.42 121.50 1ykh h ASP 65 Ca -0.09 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1ykh h ASP 65 Cb 1.48 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1ykh h ASP 65 CO 0.16 1.05 -0.01 0.40 -1.72 0.00 0.00 179.24 179.13 1ykh h ILE 66 N 0.92 1.04 0.03 0.35 2.04 -1.55 0.29 117.51 120.62 1ykh h ILE 66 Ca 0.17 -0.14 -0.25 0.00 1.00 0.00 0.00 64.86 65.64 1ykh h ILE 66 Cb 0.53 1.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1ykh h ILE 66 CO 0.03 0.05 -1.04 0.40 0.00 0.00 0.00 178.15 177.58 1ykh h ILE 67 N 0.06 1.36 -0.24 -0.67 2.04 -1.08 -2.54 117.51 116.44 1ykh h ILE 67 Ca 0.02 -2.45 -0.17 0.00 1.00 0.00 0.00 64.86 63.26 1ykh h ILE 67 Cb 0.06 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1ykh h ILE 67 CO 0.00 0.74 -0.53 -0.07 0.00 0.00 0.00 178.15 178.29 1ykh h LEU 68 N 0.27 0.89 -1.77 1.44 3.38 -0.68 -2.76 115.31 116.08 1ykh h LEU 68 Ca -0.12 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.30 1ykh h LEU 68 Cb 1.70 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1ykh h LEU 68 CO 0.19 1.28 0.06 0.11 0.09 0.00 0.00 178.44 180.17 1ykh h LYS 69 N 0.53 0.21 -0.00 1.13 1.79 -0.52 0.14 116.57 119.85 1ykh h LYS 69 Ca 0.00 -0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.32 1ykh h LYS 69 Cb 1.14 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.73 1ykh h LYS 69 CO 0.12 0.17 -0.65 1.15 -1.08 0.00 0.00 179.45 179.16 1ykh h THR 70 N 0.21 1.46 0.14 -0.16 2.02 -1.24 -0.61 112.91 114.73 1ykh h THR 70 Ca 0.05 -2.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.02 1ykh h THR 70 Cb 0.04 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1ykh h THR 70 CO -0.01 0.63 -0.07 -0.09 0.37 0.00 0.00 175.52 176.36 1ykh h ARG 71 N 0.01 -0.18 -0.66 6.66 2.43 -0.87 -2.26 114.38 119.51 1ykh h ARG 71 Ca -0.01 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 1ykh h ARG 71 Cb 1.15 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.63 1ykh h ARG 71 CO 0.09 0.29 0.10 0.37 -1.51 0.00 0.00 179.97 179.30 1ykh h GLN 72 N -0.82 0.20 -0.64 0.20 4.15 -0.76 0.32 115.11 117.77 1ykh h GLN 72 Ca -0.02 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1ykh h GLN 72 Cb 0.54 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 1ykh h GLN 72 CO 0.03 0.13 0.27 0.82 -1.93 0.00 0.00 178.83 178.16 1ykh h ILE 73 N 0.21 1.23 -0.16 2.39 2.04 -1.13 -0.98 117.51 121.11 1ykh h ILE 73 Ca 0.36 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1ykh h ILE 73 Cb 0.58 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1ykh h ILE 73 CO -0.50 0.28 -0.17 0.78 0.00 0.00 0.00 178.15 178.54 1ykh h ASN 74 N 0.89 0.25 -0.23 1.72 2.35 -0.50 -0.54 115.58 119.52 1ykh h ASN 74 Ca 0.22 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 1ykh h ASN 74 Cb 0.18 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1ykh h ASN 74 CO -0.02 0.44 -0.28 0.11 -1.65 0.00 0.00 177.43 176.04 1ykh h LYS 75 N 0.24 0.59 0.18 0.81 1.57 -0.42 -1.81 116.57 117.73 1ykh h LYS 75 Ca 0.05 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1ykh h LYS 75 Cb 0.45 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1ykh h LYS 75 CO 0.03 0.93 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.61 1ykh h LEU 76 N 0.29 -0.41 -0.95 2.94 3.38 -0.85 0.53 115.31 120.23 1ykh h LEU 76 Ca 0.03 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.20 1ykh h LEU 76 Cb 0.85 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.64 1ykh h LEU 76 CO 0.07 -0.24 0.55 0.40 0.09 0.00 0.00 178.44 179.31 1ykh h ILE 77 N -0.35 0.74 -0.67 1.22 2.04 -1.08 0.10 117.51 119.51 1ykh h ILE 77 Ca -0.00 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1ykh h ILE 77 Cb 0.33 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 1ykh h ILE 77 CO -0.03 0.14 0.21 0.44 0.00 0.00 0.00 178.15 178.91 1ykh h ASP 78 N 0.74 0.96 0.21 1.72 3.32 -0.39 -2.74 116.42 120.25 1ykh h ASP 78 Ca 0.53 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1ykh h ASP 78 Cb 0.76 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1ykh h ASP 78 CO -0.36 0.91 0.00 -1.54 -1.72 0.00 0.00 179.24 176.53 1ykh n SER 79 N -4.34 0.00 -4.73 6.45 3.41 0.22 -4.85 113.62 109.78 1ykh n SER 79 Ca 0.05 -0.63 -0.42 0.00 -0.26 0.00 0.00 58.87 57.61 1ykh n SER 79 Cb 0.21 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1ykh n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ykh s LEU 80 N -2.23 4.36 0.35 1.04 1.43 -0.35 -4.90 118.68 118.39 1ykh s LEU 80 Ca 0.38 2.89 -0.28 0.00 -1.03 0.00 0.00 54.13 56.10 1ykh s LEU 80 Cb 0.20 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.71 1ykh s LEU 80 CO 0.39 -0.95 1.29 -2.16 0.23 0.00 0.00 176.35 175.15 1ykh s PRO 81 N 0.58 4.26 -1.89 1.29 0.04 -1.26 -2.59 135.00 135.43 1ykh s PRO 81 Ca 0.71 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.90 1ykh s PRO 81 Cb -0.49 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1ykh s PRO 81 CO 0.38 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.58 1ykh n GLY 82 N 0.77 1.16 0.34 0.56 0.00 -1.26 -4.87 105.19 101.89 1ykh n GLY 82 Ca 0.01 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.96 1ykh n GLY 82 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ykh h VAL 83 N 0.00 1.10 -0.50 1.61 3.04 -1.85 -1.00 116.25 118.66 1ykh h VAL 83 Ca -0.41 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1ykh h VAL 83 Cb 1.26 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1ykh h VAL 83 CO 0.55 0.14 0.00 0.47 -1.01 0.00 0.00 177.57 177.73 1ykh n ASP 84 N -4.46 4.67 -4.52 3.17 8.00 -1.26 -4.92 116.55 117.23 1ykh n ASP 84 Ca 0.07 -2.65 -0.31 0.00 0.71 0.00 0.00 54.79 52.61 1ykh n ASP 84 Cb 0.11 -0.62 -0.12 0.00 -0.02 0.00 0.00 41.12 40.48 1ykh n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ykh s VAL 85 N -2.26 3.18 0.00 2.53 1.01 -0.38 -5.13 120.40 119.35 1ykh s VAL 85 Ca 0.44 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1ykh s VAL 85 Cb 0.32 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1ykh s VAL 85 CO 0.15 0.38 0.00 -1.54 0.00 0.00 0.00 175.10 174.09 1ykh n SER 86 N 1.59 0.00 -0.08 3.32 3.41 -1.26 -4.97 113.62 115.64 1ykh n SER 86 Ca -0.16 -0.99 -0.19 0.00 -0.26 0.00 0.00 58.87 57.27 1ykh n SER 86 Cb 0.52 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.35 1ykh n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ykh h ALA 87 N -1.62 0.17 -0.89 7.33 0.00 -1.99 -3.16 119.26 119.09 1ykh h ALA 87 Ca 0.00 -0.96 0.24 0.00 0.00 0.00 0.00 54.91 54.19 1ykh h ALA 87 Cb 0.00 0.46 -0.16 0.00 0.00 0.00 0.00 17.79 18.09 1ykh h ALA 87 CO 0.00 0.50 0.12 0.93 0.00 0.00 0.00 179.25 180.80 1ykh h GLU 88 N -0.89 0.11 0.04 0.00 5.08 -2.00 0.87 114.58 117.80 1ykh h GLU 88 Ca -0.23 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1ykh h GLU 88 Cb 1.28 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1ykh h GLU 88 CO -0.10 0.07 -0.02 0.93 -1.00 0.00 0.00 179.01 178.89 1ykh h GLU 89 N 0.11 -0.06 -0.76 2.33 5.08 -1.97 -2.55 114.58 116.77 1ykh h GLU 89 Ca 0.55 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 59.08 1ykh h GLU 89 Cb 1.11 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.26 1ykh h GLU 89 CO -0.75 0.28 0.15 1.96 -1.00 0.00 0.00 179.01 179.65 1ykh h GLN 90 N -0.41 0.22 -0.46 2.33 4.20 -0.86 0.51 115.11 120.64 1ykh h GLN 90 Ca -0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1ykh h GLN 90 Cb 0.37 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1ykh h GLN 90 CO 0.01 0.15 0.19 -0.07 -0.67 0.00 0.00 178.83 178.43 1ykh h LEU 91 N 0.23 0.60 -0.01 1.46 3.38 -1.01 -1.49 115.31 118.47 1ykh h LEU 91 Ca 0.43 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 1ykh h LEU 91 Cb 0.76 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1ykh h LEU 91 CO -0.56 0.54 -0.00 0.03 0.09 0.00 0.00 178.44 178.54 1ykh h ARG 92 N 0.66 0.01 -0.14 1.13 3.08 0.32 -2.37 114.38 117.06 1ykh h ARG 92 Ca 0.16 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1ykh h ARG 92 Cb 0.13 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1ykh h ARG 92 CO -0.02 0.37 0.11 -0.22 -1.07 0.00 0.00 179.97 179.15 1ykh h LYS 93 N -0.35 0.00 -0.05 0.04 3.64 -0.47 0.19 116.57 119.57 1ykh h LYS 93 Ca 0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1ykh h LYS 93 Cb 0.37 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1ykh h LYS 93 CO 0.00 0.00 -0.95 0.82 -2.27 0.00 0.00 179.45 177.05 1ykh h ILE 94 N 0.00 1.29 -0.36 2.00 2.04 -1.10 -1.40 117.51 119.99 1ykh h ILE 94 Ca 0.07 -2.18 -0.14 0.00 1.00 0.00 0.00 64.86 63.60 1ykh h ILE 94 Cb 0.29 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1ykh h ILE 94 CO -0.00 0.68 -0.35 0.44 0.00 0.00 0.00 178.15 178.91 1ykh h ASP 95 N 0.42 0.87 -0.71 1.72 5.19 -0.66 -1.46 116.42 121.79 1ykh h ASP 95 Ca -0.10 -0.38 -0.07 0.00 -0.62 0.00 0.00 57.03 55.87 1ykh h ASP 95 Cb 1.59 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.83 1ykh h ASP 95 CO 0.19 1.13 0.19 -0.03 -3.12 0.00 0.00 179.24 177.59 1ykh h MET 96 N 0.68 1.13 -0.20 3.56 4.05 -0.67 -2.07 114.93 121.42 1ykh h MET 96 Ca 0.06 -0.26 -0.14 0.00 -0.28 0.00 0.00 59.70 59.08 1ykh h MET 96 Cb 0.91 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 1ykh h MET 96 CO 0.08 0.99 -0.46 -0.07 0.23 0.00 0.00 176.91 177.68 1ykh h LEU 97 N 1.08 0.54 -0.48 3.39 3.38 -1.05 -1.85 115.31 120.32 1ykh h LEU 97 Ca 0.23 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1ykh h LEU 97 Cb 0.36 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1ykh h LEU 97 CO -0.00 0.93 0.01 1.56 0.09 0.00 0.00 178.44 181.03 1ykh h GLN 98 N 0.41 0.84 -0.23 1.13 4.20 -1.05 -0.82 115.11 119.59 1ykh h GLN 98 Ca 0.03 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 1ykh h GLN 98 Cb 0.97 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 1ykh h GLN 98 CO 0.09 0.88 0.12 0.87 -0.67 0.00 0.00 178.83 180.12 1ykh h LYS 99 N 0.70 0.32 0.00 1.46 1.57 -1.26 -1.39 116.57 117.97 1ykh h LYS 99 Ca 0.14 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1ykh h LYS 99 Cb 0.49 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1ykh h LYS 99 CO 0.02 0.29 -0.07 0.87 -0.57 0.00 0.00 179.45 179.99 1ykh h LYS 100 N 0.26 0.00 -0.11 3.15 1.57 -1.16 -2.33 116.57 117.94 1ykh h LYS 100 Ca 0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1ykh h LYS 100 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1ykh h LYS 100 CO -0.01 0.07 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.81 1ykh h LEU 101 N 0.00 0.24 -0.68 2.94 3.38 -0.09 0.28 115.31 121.38 1ykh h LEU 101 Ca -0.00 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.63 1ykh h LEU 101 Cb 0.18 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1ykh h LEU 101 CO 0.01 0.61 0.33 0.58 0.09 0.00 0.00 178.44 180.06 1ykh h VAL 102 N -0.13 0.85 0.41 1.22 2.07 -0.88 -1.06 116.25 118.73 1ykh h VAL 102 Ca 0.02 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1ykh h VAL 102 Cb 0.53 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1ykh h VAL 102 CO 0.02 0.10 -0.20 -0.33 0.02 0.00 0.00 177.57 177.19 1ykh h GLU 103 N 0.57 -0.53 -0.07 1.57 5.08 -1.30 -2.05 114.58 117.86 1ykh h GLU 103 Ca 0.33 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.75 1ykh h GLU 103 Cb 0.34 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ykh h GLU 103 CO -0.26 -0.23 0.17 0.28 -1.00 0.00 0.00 179.01 177.98 1ykh h VAL 104 N -0.85 0.20 0.00 3.13 2.07 -0.72 0.28 116.25 120.36 1ykh h VAL 104 Ca -0.06 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.24 1ykh h VAL 104 Cb 0.55 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1ykh h VAL 104 CO 0.09 0.00 -1.21 -0.33 0.02 0.00 0.00 177.57 176.14 1ykh h GLU 105 N 0.00 0.00 -0.36 1.57 5.08 -1.00 -1.71 114.58 118.16 1ykh h GLU 105 Ca 0.03 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1ykh h GLU 105 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1ykh h GLU 105 CO -0.00 0.70 -0.30 0.22 -1.00 0.00 0.00 179.01 178.64 1ykh h ASP 106 N 0.00 0.79 -0.43 1.42 3.58 0.21 -0.89 116.42 121.10 1ykh h ASP 106 Ca -0.11 -0.32 -0.05 0.00 0.42 0.00 0.00 57.03 56.97 1ykh h ASP 106 Cb 1.78 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.60 1ykh h ASP 106 CO 0.10 1.04 0.07 -0.33 -2.88 0.00 0.00 179.24 177.24 1ykh h GLU 107 N 0.65 0.71 -0.63 0.28 5.08 -1.02 -2.74 114.58 116.92 1ykh h GLU 107 Ca 0.08 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1ykh h GLU 107 Cb 0.82 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1ykh h GLU 107 CO 0.07 0.74 0.24 -0.22 -1.00 0.00 0.00 179.01 178.84 1ykh h LYS 108 N 0.57 0.93 -0.53 2.33 3.64 -0.88 -0.37 116.57 122.26 1ykh h LYS 108 Ca 0.13 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1ykh h LYS 108 Cb 0.37 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1ykh h LYS 108 CO 0.01 0.77 0.03 0.97 -2.27 0.00 0.00 179.45 178.96 1ykh h ILE 109 N 0.91 1.26 -0.11 2.00 6.09 -1.06 -1.34 117.51 125.26 1ykh h ILE 109 Ca 0.21 -1.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.65 1ykh h ILE 109 Cb 0.20 0.90 -0.01 0.00 0.47 0.00 0.00 36.82 38.38 1ykh h ILE 109 CO -0.02 0.38 0.07 -0.33 -3.07 0.00 0.00 178.15 175.18 1ykh h GLU 110 N 0.80 0.14 -0.83 2.19 4.39 -1.15 0.33 114.58 120.45 1ykh h GLU 110 Ca 0.15 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.89 1ykh h GLU 110 Cb 0.49 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 1ykh h GLU 110 CO 0.02 0.12 0.53 0.00 -1.16 0.00 0.00 179.01 178.52 1ykh h ALA 111 N 1.01 1.12 -0.20 3.43 0.00 -0.91 -1.66 119.26 122.05 1ykh h ALA 111 Ca 0.04 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1ykh h ALA 111 Cb 0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ykh h ALA 111 CO -0.01 0.32 -0.33 0.82 0.00 0.00 0.00 179.25 180.05 1ykh h ILE 112 N 1.00 1.33 -0.26 0.00 2.04 -0.82 -1.59 117.51 119.21 1ykh h ILE 112 Ca 0.35 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.70 1ykh h ILE 112 Cb 0.07 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.92 1ykh h ILE 112 CO -0.14 0.48 -0.51 0.11 0.00 0.00 0.00 178.15 178.09 1ykh h LYS 113 N 0.26 -0.43 -0.43 2.37 1.57 0.06 0.43 116.57 120.40 1ykh h LYS 113 Ca 0.02 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1ykh h LYS 113 Cb 0.92 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 1ykh h LYS 113 CO 0.08 -0.29 0.13 0.87 -0.57 0.00 0.00 179.45 179.67 1ykh h LYS 114 N -0.45 0.28 -0.05 3.15 1.57 -1.31 0.28 116.57 120.04 1ykh h LYS 114 Ca 0.05 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1ykh h LYS 114 Cb 0.59 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1ykh h LYS 114 CO -0.48 0.19 -0.13 -0.22 -0.57 0.00 0.00 179.45 178.24 1ykh h LYS 115 N 0.29 -0.18 -0.92 3.15 3.64 -0.73 -0.75 116.57 121.07 1ykh h LYS 115 Ca 0.20 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.65 1ykh h LYS 115 Cb 0.21 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 1ykh h LYS 115 CO -0.22 -0.12 0.59 0.93 -2.27 0.00 0.00 179.45 178.36 1ykh h GLU 116 N -0.19 1.06 -0.88 1.90 4.39 -0.32 -0.16 114.58 120.38 1ykh h GLU 116 Ca 0.06 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1ykh h GLU 116 Cb 0.27 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1ykh h GLU 116 CO -0.16 0.70 0.57 -0.22 -1.16 0.00 0.00 179.01 178.74 1ykh h LYS 117 N 1.09 1.17 -0.13 2.33 3.64 0.26 -1.75 116.57 123.18 1ykh h LYS 117 Ca 0.39 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1ykh h LYS 117 Cb 0.12 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1ykh h LYS 117 CO -0.16 0.78 -0.29 1.25 -2.27 0.00 0.00 179.45 178.77 1ykh h LEU 118 N 1.20 0.48 -0.93 5.20 5.85 -0.32 -2.87 115.31 123.93 1ykh h LEU 118 Ca 0.32 -0.57 0.07 0.00 0.84 0.00 0.00 57.88 58.55 1ykh h LEU 118 Cb -0.12 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.70 1ykh h LEU 118 CO -0.07 0.96 0.58 -0.03 -0.34 0.00 0.00 178.44 179.54 1ykh h MET 119 N 0.03 1.01 -0.27 1.25 4.05 -0.72 -0.52 114.93 119.75 1ykh h MET 119 Ca 0.00 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1ykh h MET 119 Cb 0.88 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 1ykh h MET 119 CO 0.06 0.67 0.16 0.00 0.23 0.00 0.00 176.91 178.03 1ykh h ARG 120 N 1.04 0.32 -0.42 0.39 3.08 -1.31 0.10 114.38 117.59 1ykh h ARG 120 Ca 0.41 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.53 1ykh h ARG 120 Cb 0.21 -0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.10 1ykh h ARG 120 CO -0.19 0.21 -0.18 1.25 -1.07 0.00 0.00 179.97 179.99 1ykh h HIS 121 N 0.33 -0.45 0.34 3.04 2.76 -0.90 0.14 115.15 120.41 1ykh h HIS 121 Ca 0.11 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1ykh h HIS 121 Cb -0.01 0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1ykh h HIS 121 CO -0.07 -0.26 -0.16 0.28 -1.30 0.00 0.00 177.93 176.41 1ykh h VAL 122 N -0.10 0.68 -1.04 5.26 2.07 -0.91 -2.33 116.25 119.87 1ykh h VAL 122 Ca 0.20 -0.18 0.31 0.00 0.82 0.00 0.00 66.70 67.85 1ykh h VAL 122 Cb 0.41 0.77 -0.13 0.00 -1.52 0.00 0.00 31.29 30.82 1ykh h VAL 122 CO -0.48 0.04 0.62 0.44 0.02 0.00 0.00 177.57 178.21 1ykh h ASP 123 N -0.56 0.52 0.97 0.57 5.19 -0.25 -0.59 116.42 122.26 1ykh h ASP 123 Ca -0.05 0.15 -0.05 0.00 -0.62 0.00 0.00 57.03 56.47 1ykh h ASP 123 Cb 0.41 0.09 0.01 0.00 0.18 0.00 0.00 39.33 40.02 1ykh h ASP 123 CO 0.08 -0.04 -0.46 -1.28 -3.12 0.00 0.00 179.24 174.41 1ykh h SER 124 N 0.38 -1.10 -0.94 6.45 0.87 -0.23 -0.58 113.55 118.40 1ykh h SER 124 Ca 0.70 0.04 0.13 0.00 -1.23 0.00 0.00 61.79 61.42 1ykh h SER 124 Cb 1.63 0.28 -0.09 0.00 -0.44 0.00 0.00 62.40 63.79 1ykh h SER 124 CO -0.50 -0.78 0.57 0.24 -0.53 0.00 0.00 176.83 175.83 1ykh h MET 125 N -1.31 0.84 -0.19 2.24 2.86 -0.77 -1.29 114.93 117.31 1ykh h MET 125 Ca -0.13 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 1ykh h MET 125 Cb 0.99 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 1ykh h MET 125 CO 0.22 0.56 -0.10 0.82 1.06 0.00 0.00 176.91 179.47 1ykh h ILE 126 N 0.87 1.31 0.00 -1.22 2.04 -1.01 -2.55 117.51 116.95 1ykh h ILE 126 Ca 0.48 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1ykh h ILE 126 Cb 0.54 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1ykh h ILE 126 CO -0.29 0.35 -0.10 -0.33 0.00 0.00 0.00 178.15 177.78 1ykh h GLU 127 N 0.09 0.00 0.00 2.37 5.08 -0.81 0.51 114.58 121.82 1ykh h GLU 127 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ykh h GLU 127 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ykh h GLU 127 CO 0.03 0.10 0.00 -3.47 -1.00 0.00 0.00 179.01 174.67 1ykh n ASP 128 N -3.64 0.00 -3.12 1.42 -0.08 -0.51 -4.87 116.55 105.74 1ykh n ASP 128 Ca -0.02 -0.31 -0.14 0.00 -1.51 0.00 0.00 54.79 52.81 1ykh n ASP 128 Cb 0.22 -0.15 0.07 0.00 2.34 0.00 0.00 41.12 43.60 1ykh n ASP 128 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1ykh n PHE 129 N -1.15 -2.17 -1.48 -0.67 3.01 0.18 -5.06 117.46 110.12 1ykh n PHE 129 Ca 0.12 0.80 0.00 0.00 1.01 0.00 0.00 57.45 59.39 1ykh n PHE 129 Cb 0.12 -4.22 0.00 0.00 -0.01 0.00 0.00 39.48 35.37 1ykh n PHE 129 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05