#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8r h LEU 2 N 0.00 0.00 -0.66 1.04 3.38 -1.60 -0.42 115.31 117.04 1m8r h LEU 2 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1m8r h LEU 2 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1m8r h LEU 2 CO 0.00 0.09 -0.41 1.62 0.09 0.00 0.00 178.44 179.83 1m8r h VAL 3 N 0.00 1.30 -0.36 1.22 3.04 -1.96 -1.87 116.25 117.62 1m8r h VAL 3 Ca -0.00 -1.58 -0.14 0.00 -1.01 0.00 0.00 66.70 63.97 1m8r h VAL 3 Cb 0.17 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.01 1m8r h VAL 3 CO 0.01 0.50 -0.33 1.56 -1.01 0.00 0.00 177.57 178.30 1m8r h GLN 4 N 0.47 0.79 -0.72 4.17 4.20 -1.53 -2.19 115.11 120.31 1m8r h GLN 4 Ca 0.04 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.39 1m8r h GLN 4 Cb 0.92 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 1m8r h GLN 4 CO 0.08 1.01 0.47 0.35 -0.67 0.00 0.00 178.83 180.06 1m8r h PHE 5 N 0.67 0.88 -0.93 2.96 3.57 -0.98 0.53 116.94 123.62 1m8r h PHE 5 Ca 0.07 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1m8r h PHE 5 Cb 0.87 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 1m8r h PHE 5 CO 0.05 0.53 0.61 1.49 -2.23 0.00 0.00 178.31 178.76 1m8r h GLU 6 N 0.93 1.24 -0.46 1.11 4.57 -1.14 -1.46 114.58 119.37 1m8r h GLU 6 Ca 0.27 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1m8r h GLU 6 Cb -0.06 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 28.23 1m8r h GLU 6 CO -0.08 0.83 0.20 1.15 -1.18 0.00 0.00 179.01 179.93 1m8r h THR 7 N 1.27 1.20 -0.68 0.32 2.02 -0.57 -1.83 112.91 114.64 1m8r h THR 7 Ca 0.34 -0.58 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 1m8r h THR 7 Cb -0.13 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1m8r h THR 7 CO -0.07 0.22 0.16 -0.07 0.37 0.00 0.00 175.52 176.13 1m8r h LEU 8 N 0.60 1.02 -0.51 2.58 3.38 -0.46 -0.65 115.31 121.27 1m8r h LEU 8 Ca 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1m8r h LEU 8 Cb 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1m8r h LEU 8 CO -0.02 0.98 0.25 0.40 0.09 0.00 0.00 178.44 180.14 1m8r h ILE 9 N 1.02 1.19 -0.12 1.22 1.08 -1.06 0.15 117.51 120.99 1m8r h ILE 9 Ca 0.21 -0.53 -0.10 0.00 -0.39 0.00 0.00 64.86 64.05 1m8r h ILE 9 Cb 0.36 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 1m8r h ILE 9 CO 0.00 0.21 -0.38 -0.03 -0.69 0.00 0.00 178.15 177.26 1m8r h MET 10 N 0.68 0.25 0.01 2.37 4.05 -1.05 0.19 114.93 121.43 1m8r h MET 10 Ca 0.18 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1m8r h MET 10 Cb 0.11 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1m8r h MET 10 CO -0.02 0.60 -0.00 0.87 0.23 0.00 0.00 176.91 178.58 1m8r h LYS 11 N 0.21 -0.01 0.00 0.39 1.57 -0.70 -2.16 116.57 115.87 1m8r h LYS 11 Ca 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1m8r h LYS 11 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1m8r h LYS 11 CO 0.06 0.59 -0.13 0.28 -0.57 0.00 0.00 179.45 179.68 1m8r h VAL 12 N -0.62 1.13 0.00 0.50 2.07 -0.72 -3.37 116.25 115.23 1m8r h VAL 12 Ca -0.00 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.63 1m8r h VAL 12 Cb 0.60 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1m8r h VAL 12 CO 0.00 0.38 -0.32 0.00 0.02 0.00 0.00 177.57 177.65 1m8r h ALA 13 N -0.37 0.82 -4.47 1.67 0.00 -0.80 -3.47 119.26 112.64 1m8r h ALA 13 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.51 1m8r h ALA 13 Cb 0.72 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.58 1m8r h ALA 13 CO -0.02 0.00 -0.57 1.63 0.00 0.00 0.00 179.25 180.29 1m8r n LYS 14 N -2.63 -5.26 -4.08 0.00 5.02 -0.81 -4.91 118.16 105.49 1m8r n LYS 14 Ca 0.03 0.82 -0.08 0.00 -2.02 0.00 0.00 58.31 57.06 1m8r n LYS 14 Cb 0.49 -5.55 -0.10 0.00 -0.02 0.00 0.00 35.03 29.86 1m8r n LYS 14 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1m8r s LYS 16 N -5.76 0.72 -0.25 1.97 -0.14 -1.24 -4.99 119.74 110.05 1m8r s LYS 16 Ca 0.35 -1.25 -0.22 0.00 -1.36 0.00 0.00 55.97 53.49 1m8r s LYS 16 Cb -0.15 0.23 -0.02 0.00 -1.68 0.00 0.00 37.83 36.22 1m8r s LYS 16 CO 0.43 -0.17 0.69 0.45 -0.76 0.00 0.00 175.35 175.99 1m8r s SER 17 N -2.95 6.65 0.22 2.83 0.15 -1.26 -2.92 113.70 116.42 1m8r s SER 17 Ca 0.11 0.80 -0.08 0.00 0.70 0.00 0.00 55.95 57.49 1m8r s SER 17 Cb 0.07 -2.37 0.19 0.00 -1.71 0.00 0.00 66.02 62.21 1m8r s SER 17 CO -0.07 -0.41 1.84 1.23 1.20 0.00 0.00 173.24 177.03 1m8r h GLY 18 N 8.98 1.28 1.07 9.45 0.00 -1.92 -0.93 103.07 121.01 1m8r h GLY 18 Ca -0.26 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1m8r h GLY 18 CO 0.80 0.57 0.58 1.98 0.00 0.00 0.00 176.54 180.47 1m8r h MET 19 N 1.19 1.24 0.00 4.80 1.85 -1.92 0.20 114.93 122.29 1m8r h MET 19 Ca 0.30 -0.10 -0.15 0.00 -0.61 0.00 0.00 59.70 59.14 1m8r h MET 19 Cb 0.06 -0.27 -0.03 0.00 0.43 0.00 0.00 31.60 31.79 1m8r h MET 19 CO -0.04 0.85 -1.32 0.37 -0.40 0.00 0.00 176.91 176.36 1m8r h GLN 20 N 1.26 0.00 0.00 0.39 5.75 -1.93 -3.34 115.11 117.25 1m8r h GLN 20 Ca 0.33 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1m8r h GLN 20 Cb -0.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.46 1m8r h GLN 20 CO -0.07 0.28 -1.33 0.91 -2.65 0.00 0.00 178.83 175.97 1m8r n TRP 21 N -2.90 0.00 -1.05 3.99 7.02 -0.37 -4.79 117.44 119.33 1m8r n TRP 21 Ca -0.08 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.44 1m8r n TRP 21 Cb 0.81 -0.19 0.05 0.00 -2.42 0.00 0.00 31.31 29.57 1m8r n TRP 21 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1m8r n TYR 22 N -1.76 0.00 0.75 -5.99 4.01 0.68 -4.77 117.16 110.08 1m8r n TYR 22 Ca -0.01 -0.49 0.12 0.00 -0.16 0.00 0.00 57.90 57.35 1m8r n TYR 22 Cb 0.22 -0.08 0.23 0.00 -0.31 0.00 0.00 39.34 39.40 1m8r n TYR 22 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1m8r n SER 23 N -0.66 0.58 -2.76 7.72 3.41 -1.07 -3.57 113.62 117.27 1m8r n SER 23 Ca 0.06 0.01 -0.09 0.00 -0.26 0.00 0.00 58.87 58.59 1m8r n SER 23 Cb 0.55 0.15 0.08 0.00 -0.26 0.00 0.00 64.21 64.73 1m8r n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1m8r n ASN 24 N -1.85 -1.63 -4.42 4.04 5.15 -0.95 -3.91 115.26 111.69 1m8r n ASN 24 Ca 0.04 -3.15 -0.33 0.00 -0.60 0.00 0.00 54.58 50.54 1m8r n ASN 24 Cb 0.39 1.21 -0.14 0.00 -0.53 0.00 0.00 39.78 40.72 1m8r n ASN 24 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1m8r s TYR 25 N -0.25 2.86 0.00 1.20 6.14 -0.39 -1.24 117.35 125.67 1m8r s TYR 25 Ca 0.24 -0.50 0.00 0.00 0.64 0.00 0.00 57.07 57.45 1m8r s TYR 25 Cb 0.34 -1.85 0.00 0.00 0.42 0.00 0.00 41.96 40.88 1m8r s TYR 25 CO -0.06 -0.12 0.00 0.41 0.64 0.00 0.00 175.55 176.42 1m8r n GLY 26 N 3.38 1.01 0.08 8.97 0.00 0.33 -1.74 105.19 117.23 1m8r n GLY 26 Ca -0.18 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 1m8r n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m8r n TYR 28 N -3.06 0.00 -2.50 0.00 4.01 -1.25 -3.61 117.16 110.75 1m8r n TYR 28 Ca -0.11 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.22 1m8r n TYR 28 Cb 0.95 -0.11 -0.03 0.00 -0.31 0.00 0.00 39.34 39.85 1m8r n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1m8r n GLY 30 N 5.32 1.02 3.73 0.00 0.00 -1.23 -1.27 105.19 112.76 1m8r n GLY 30 Ca 0.07 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1m8r n GLY 30 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1m8r s TRP 31 N -1.00 2.94 0.00 1.61 -0.11 -1.26 -4.74 118.94 116.37 1m8r s TRP 31 Ca 0.00 0.69 0.00 0.00 1.22 0.00 0.00 56.10 58.01 1m8r s TRP 31 Cb 0.00 -3.99 0.00 0.00 -1.50 0.00 0.00 33.47 27.98 1m8r s TRP 31 CO 0.00 -3.49 0.00 0.41 -4.62 0.00 0.00 176.95 169.25 1m8r n GLY 32 N 3.04 0.06 0.00 5.86 0.00 -1.26 -5.03 105.19 107.86 1m8r n GLY 32 Ca 0.11 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1m8r n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m8r n GLY 33 N 0.00 3.16 3.54 -0.02 0.00 -1.26 -4.66 105.19 105.94 1m8r n GLY 33 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 1m8r n GLY 33 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1m8r s GLN 34 N -2.00 1.41 2.32 1.61 -2.07 -1.24 -5.02 119.66 114.67 1m8r s GLN 34 Ca 0.00 -0.89 0.00 0.00 -1.82 0.00 0.00 55.36 52.65 1m8r s GLN 34 Cb 0.00 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.44 1m8r s GLN 34 CO 0.00 -0.60 0.00 0.41 -1.32 0.00 0.00 175.29 173.78 1m8r n GLY 35 N -0.35 -1.02 3.85 2.60 0.00 -1.13 -4.72 105.19 104.43 1m8r n GLY 35 Ca -0.09 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 1m8r n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m8r s ARG 36 N 0.00 3.80 0.17 1.61 0.52 -1.16 -2.58 118.95 121.31 1m8r s ARG 36 Ca 0.00 0.26 -0.31 0.00 -0.52 0.00 0.00 55.73 55.16 1m8r s ARG 36 Cb 0.00 -3.16 -0.10 0.00 0.52 0.00 0.00 34.95 32.21 1m8r s ARG 36 CO 0.00 0.67 1.54 -2.14 0.02 0.00 0.00 175.30 175.39 1m8r s PRO 37 N -1.30 4.23 0.13 3.54 0.02 -1.26 -4.63 135.00 135.73 1m8r s PRO 37 Ca 0.25 2.33 0.03 0.00 0.02 0.00 0.00 61.00 63.63 1m8r s PRO 37 Cb -0.15 -3.16 -0.13 0.00 0.02 0.00 0.00 34.50 31.08 1m8r s PRO 37 CO 0.13 -0.58 1.30 1.96 -0.33 0.00 0.00 177.00 179.48 1m8r h GLN 38 N 6.69 0.13 0.00 5.54 1.08 -1.96 -3.46 115.11 123.13 1m8r h GLN 38 Ca -0.43 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 56.59 1m8r h GLN 38 Cb 1.21 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1m8r h GLN 38 CO 0.90 1.01 0.00 -0.40 -0.95 0.00 0.00 178.83 179.40 1m8r n ASP 39 N -3.52 -0.05 0.15 1.46 3.85 -1.26 -5.01 116.55 112.16 1m8r n ASP 39 Ca -0.03 -1.05 -0.14 0.00 -0.71 0.00 0.00 54.79 52.86 1m8r n ASP 39 Cb 0.90 0.10 -0.06 0.00 -1.35 0.00 0.00 41.12 40.70 1m8r n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1m8r h ALA 40 N 1.71 -0.57 -0.49 2.12 0.00 -1.94 -0.20 119.26 119.89 1m8r h ALA 40 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1m8r h ALA 40 Cb 0.04 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1m8r h ALA 40 CO 0.01 -0.87 0.21 1.15 0.00 0.00 0.00 179.25 179.76 1m8r h THR 41 N -0.57 0.90 -0.99 0.00 2.02 -1.91 -1.36 112.91 111.00 1m8r h THR 41 Ca 0.01 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1m8r h THR 41 Cb 0.57 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 1m8r h THR 41 CO -0.13 0.08 0.65 -0.78 0.37 0.00 0.00 175.52 175.70 1m8r h ASP 42 N 0.42 1.11 -0.00 4.18 3.58 -1.82 -1.14 116.42 122.75 1m8r h ASP 42 Ca 0.23 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.58 1m8r h ASP 42 Cb 0.19 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1m8r h ASP 42 CO -0.20 0.79 -0.19 -0.09 -2.88 0.00 0.00 179.24 176.68 1m8r h ARG 43 N 1.31 0.35 -0.58 0.28 2.43 -0.25 -0.55 114.38 117.37 1m8r h ARG 43 Ca 0.37 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.49 1m8r h ARG 43 Cb -0.10 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.36 1m8r h ARG 43 CO -0.09 0.54 0.30 0.00 -1.51 0.00 0.00 179.97 179.21 1m8r h PHE 46 N 0.69 -0.17 -0.80 0.00 3.57 -0.61 -0.03 116.94 119.59 1m8r h PHE 46 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1m8r h PHE 46 Cb 0.65 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 1m8r h PHE 46 CO 0.05 -0.12 0.47 0.28 -2.23 0.00 0.00 178.31 176.76 1m8r h VAL 47 N -0.03 1.23 -0.53 1.41 2.07 -0.78 -0.99 116.25 118.62 1m8r h VAL 47 Ca 0.11 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1m8r h VAL 47 Cb 0.20 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1m8r h VAL 47 CO -0.25 0.24 0.12 -0.74 0.02 0.00 0.00 177.57 176.96 1m8r h HIS 48 N 1.11 0.90 -0.39 1.57 -0.00 -0.50 0.44 115.15 118.29 1m8r h HIS 48 Ca 0.29 -0.11 -0.00 0.00 -0.00 0.00 0.00 60.37 60.54 1m8r h HIS 48 Cb -0.03 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.11 1m8r h HIS 48 CO 0.01 0.80 0.23 -0.44 -0.00 0.00 0.00 177.93 178.52 1m8r h ASP 49 N 0.75 0.48 -0.61 3.26 3.32 -0.55 -1.28 116.42 121.79 1m8r h ASP 49 Ca 0.16 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1m8r h ASP 49 Cb 0.36 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1m8r h ASP 49 CO 0.00 0.40 0.30 0.00 -1.72 0.00 0.00 179.24 178.22 1m8r h TYR 52 N 0.23 1.14 0.00 0.00 -1.99 -1.01 -2.46 116.97 112.87 1m8r h TYR 52 Ca 0.08 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1m8r h TYR 52 Cb 0.25 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 38.63 1m8r h TYR 52 CO 0.01 0.84 0.00 0.78 -0.00 0.00 0.00 178.16 179.78 1m8r h GLY 53 N 1.11 0.00 -0.85 3.88 0.00 -0.85 -1.96 103.07 104.39 1m8r h GLY 53 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1m8r h GLY 53 CO -0.03 0.00 -0.37 0.58 0.00 0.00 0.00 176.54 176.72 1m8r n LYS 54 N -2.94 1.29 -2.61 4.80 2.85 -0.93 -4.89 118.16 115.72 1m8r n LYS 54 Ca -0.02 -1.01 -0.43 0.00 -1.05 0.00 0.00 58.31 55.80 1m8r n LYS 54 Cb 0.12 -1.48 -0.02 0.00 -0.65 0.00 0.00 35.03 33.00 1m8r n LYS 54 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1m8r s VAL 55 N -2.41 4.54 -0.09 0.58 1.01 -0.74 -5.01 120.40 118.27 1m8r s VAL 55 Ca 0.21 1.82 0.02 0.00 0.00 0.00 0.00 61.98 64.04 1m8r s VAL 55 Cb 0.19 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1m8r s VAL 55 CO 0.52 -0.32 -0.16 0.42 0.00 0.00 0.00 175.10 175.57 1m8r s THR 56 N 3.48 1.50 0.00 3.92 -4.23 -1.26 -4.71 115.64 114.34 1m8r s THR 56 Ca 0.46 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1m8r s THR 56 Cb -0.15 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.35 1m8r s THR 56 CO 0.12 0.44 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 1m8r n GLY 59 N 3.93 2.02 3.58 3.99 0.00 -1.26 -4.98 105.19 112.48 1m8r n GLY 59 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1m8r n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m8r s ASP 67 N -3.16 5.21 0.58 0.00 2.15 -1.26 -4.98 116.67 115.21 1m8r s ASP 67 Ca 0.25 -1.33 0.28 0.00 0.43 0.00 0.00 52.55 52.19 1m8r s ASP 67 Cb -0.02 -1.83 1.62 0.00 -0.30 0.00 0.00 42.92 42.40 1m8r s ASP 67 CO 0.16 -0.35 2.09 -0.65 -0.17 0.00 0.00 175.17 176.24 1m8r h PRO 68 N 8.15 0.00 0.12 4.34 0.11 -1.92 -0.13 132.00 142.67 1m8r h PRO 68 Ca -0.21 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.72 1m8r h PRO 68 Cb 1.07 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1m8r h PRO 68 CO 0.61 0.00 -0.80 -0.22 -0.21 0.00 0.00 178.00 177.38 1m8r h LYS 69 N 0.00 0.25 0.00 1.05 3.64 -1.94 -3.37 116.57 116.20 1m8r h LYS 69 Ca 0.10 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1m8r h LYS 69 Cb 0.53 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1m8r h LYS 69 CO -0.00 1.20 -1.69 -1.33 -2.27 0.00 0.00 179.45 175.36 1m8r n MET 70 N -4.17 0.67 -2.35 1.90 2.81 -1.15 -2.20 117.12 112.63 1m8r n MET 70 Ca -0.15 -0.11 -0.41 0.00 -1.81 0.00 0.00 57.70 55.22 1m8r n MET 70 Cb 0.79 -1.34 -0.04 0.00 -0.71 0.00 0.00 33.22 31.92 1m8r n MET 70 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1m8r s ASP 71 N -3.80 7.10 -0.21 7.83 1.01 -0.07 -4.65 116.67 123.87 1m8r s ASP 71 Ca -0.05 2.38 -0.12 0.00 0.71 0.00 0.00 52.55 55.46 1m8r s ASP 71 Cb 0.08 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 1m8r s ASP 71 CO 0.58 -0.30 0.22 -0.69 0.21 0.00 0.00 175.17 175.19 1m8r s VAL 72 N -0.91 5.33 0.41 -1.27 1.01 -1.26 0.44 120.40 124.15 1m8r s VAL 72 Ca 0.48 0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.87 1m8r s VAL 72 Cb -0.34 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1m8r s VAL 72 CO 0.43 0.36 0.33 -0.72 0.00 0.00 0.00 175.10 175.50 1m8r s TYR 73 N 0.83 2.69 0.10 5.22 -0.85 -1.26 -4.91 117.35 119.17 1m8r s TYR 73 Ca 0.11 -0.51 0.09 0.00 -0.52 0.00 0.00 57.07 56.24 1m8r s TYR 73 Cb -0.13 -2.11 -0.04 0.00 0.38 0.00 0.00 41.96 40.07 1m8r s TYR 73 CO 0.03 -0.03 -0.18 -1.54 -1.52 0.00 0.00 175.55 172.30 1m8r s SER 74 N -4.07 3.84 0.14 -0.18 1.04 -1.26 -4.97 113.70 108.25 1m8r s SER 74 Ca 0.46 -0.54 -0.14 0.00 0.48 0.00 0.00 55.95 56.21 1m8r s SER 74 Cb -0.02 -0.54 0.02 0.00 0.10 0.00 0.00 66.02 65.58 1m8r s SER 74 CO 0.27 0.19 0.39 0.72 0.98 0.00 0.00 173.24 175.78 1m8r s PHE 75 N -1.09 -0.05 0.19 5.02 -0.71 -1.26 -0.86 117.98 119.22 1m8r s PHE 75 Ca 0.17 -0.29 -0.00 0.00 -1.04 0.00 0.00 56.93 55.77 1m8r s PHE 75 Cb -0.11 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.87 1m8r s PHE 75 CO 0.09 -0.73 0.10 -1.54 -1.34 0.00 0.00 175.22 171.79 1m8r s SER 76 N -2.85 0.47 -0.21 1.98 1.04 -0.07 -4.94 113.70 109.12 1m8r s SER 76 Ca 0.07 -1.33 -0.01 0.00 0.48 0.00 0.00 55.95 55.15 1m8r s SER 76 Cb 0.02 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1m8r s SER 76 CO -0.08 -0.77 -0.11 -1.61 0.98 0.00 0.00 173.24 171.64 1m8r s GLU 77 N -4.09 3.08 -0.01 4.02 2.02 -1.26 0.15 118.70 122.60 1m8r s GLU 77 Ca 0.34 -0.80 -0.12 0.00 0.02 0.00 0.00 54.97 54.41 1m8r s GLU 77 Cb 0.07 -2.81 0.02 0.00 0.10 0.00 0.00 34.13 31.50 1m8r s GLU 77 CO 0.09 -0.25 0.26 -1.21 0.02 0.00 0.00 175.26 174.17 1m8r s GLU 78 N 1.36 0.61 -1.01 1.61 8.01 -1.05 -4.87 118.70 123.35 1m8r s GLU 78 Ca 0.04 -0.25 -0.01 0.00 0.01 0.00 0.00 54.97 54.76 1m8r s GLU 78 Cb -0.14 0.27 0.01 0.00 -4.31 0.00 0.00 34.13 29.95 1m8r s GLU 78 CO -0.08 -0.16 0.05 0.09 0.01 0.00 0.00 175.26 175.17 1m8r n ASN 79 N 1.34 -3.73 -2.02 -0.19 3.02 -1.26 -1.34 115.26 111.08 1m8r n ASN 79 Ca -0.22 0.16 -0.13 0.00 -0.03 0.00 0.00 54.58 54.36 1m8r n ASN 79 Cb 0.56 -3.17 0.03 0.00 -0.61 0.00 0.00 39.78 36.59 1m8r n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m8r n GLY 80 N -0.83 0.08 3.44 7.41 0.00 -1.26 -5.03 105.19 109.00 1m8r n GLY 80 Ca -0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 1m8r n GLY 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1m8r s ASP 81 N -3.03 0.94 -0.25 1.61 3.68 -0.45 -5.13 116.67 114.03 1m8r s ASP 81 Ca 0.26 -1.49 -0.08 0.00 2.13 0.00 0.00 52.55 53.37 1m8r s ASP 81 Cb -0.11 0.62 -0.03 0.00 -1.45 0.00 0.00 42.92 41.95 1m8r s ASP 81 CO 0.32 -1.22 0.09 -0.63 0.13 0.00 0.00 175.17 173.86 1m8r s ILE 82 N -3.25 4.46 -0.32 4.11 1.09 -1.26 -2.53 121.20 123.50 1m8r s ILE 82 Ca 0.32 -0.12 -0.07 0.00 -1.10 0.00 0.00 60.65 59.68 1m8r s ILE 82 Cb 0.01 -3.09 0.02 0.00 -1.06 0.00 0.00 42.46 38.34 1m8r s ILE 82 CO 0.20 0.33 0.10 -0.69 -0.10 0.00 0.00 174.94 174.78 1m8r s VAL 83 N 1.60 3.92 0.03 2.92 1.01 0.12 -4.97 120.40 125.04 1m8r s VAL 83 Ca 0.06 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1m8r s VAL 83 Cb -0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1m8r s VAL 83 CO 0.05 -0.05 1.06 0.00 0.00 0.00 0.00 175.10 176.15 1m8r n GLY 85 N 2.98 5.38 0.00 0.00 0.00 -0.04 -4.97 105.19 108.54 1m8r n GLY 85 Ca 0.07 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1m8r n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m8r n GLY 86 N 1.38 1.05 1.02 -0.02 0.00 -1.26 -4.36 105.19 103.00 1m8r n GLY 86 Ca 0.00 -2.02 0.10 0.00 0.00 0.00 0.00 46.02 44.10 1m8r n GLY 86 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1m8r n ASP 88 N -0.03 3.30 -4.24 1.61 5.75 -1.26 -4.86 116.55 116.83 1m8r n ASP 88 Ca 0.00 -1.94 -0.37 0.00 -0.01 0.00 0.00 54.79 52.47 1m8r n ASP 88 Cb 0.00 -0.26 -0.12 0.00 -1.03 0.00 0.00 41.12 39.71 1m8r n ASP 88 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1m8r s ASP 89 N -1.26 5.26 0.43 -1.12 -1.08 -1.26 -4.99 116.67 112.66 1m8r s ASP 89 Ca 0.35 -1.31 0.10 0.00 -0.52 0.00 0.00 52.55 51.17 1m8r s ASP 89 Cb 0.20 -1.85 0.95 0.00 -1.46 0.00 0.00 42.92 40.76 1m8r s ASP 89 CO 0.27 -0.36 2.04 1.55 0.52 0.00 0.00 175.17 179.19 1m8r h PRO 90 N 8.18 0.45 -0.32 4.34 0.13 -1.94 -1.83 132.00 140.99 1m8r h PRO 90 Ca -0.22 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 1m8r h PRO 90 Cb 1.07 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1m8r h PRO 90 CO 0.62 0.30 0.01 0.00 -0.23 0.00 0.00 178.00 178.69 1m8r h LYS 92 N 0.37 0.15 -0.24 0.00 1.57 -1.87 -2.12 116.57 114.44 1m8r h LYS 92 Ca 0.09 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1m8r h LYS 92 Cb 0.43 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1m8r h LYS 92 CO 0.02 0.48 -0.22 -0.22 -0.57 0.00 0.00 179.45 178.94 1m8r h LYS 93 N 0.14 0.45 -0.55 3.15 3.64 -1.11 -2.18 116.57 120.10 1m8r h LYS 93 Ca 0.02 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1m8r h LYS 93 Cb 0.67 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1m8r h LYS 93 CO 0.05 0.64 -0.01 1.49 -2.27 0.00 0.00 179.45 179.35 1m8r h GLU 94 N 0.40 0.96 -0.48 1.90 4.81 -0.72 -0.72 114.58 120.74 1m8r h GLU 94 Ca 0.06 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1m8r h GLU 94 Cb 0.60 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1m8r h GLU 94 CO 0.04 0.95 0.20 0.82 -0.73 0.00 0.00 179.01 180.29 1m8r h ILE 95 N 0.88 1.20 -0.83 2.32 2.04 -1.07 -2.15 117.51 119.91 1m8r h ILE 95 Ca 0.16 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1m8r h ILE 95 Cb 0.53 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1m8r h ILE 95 CO 0.03 0.23 0.46 0.00 0.00 0.00 0.00 178.15 178.87 1m8r h GLU 97 N 1.16 1.24 0.10 0.00 4.39 -0.80 0.15 114.58 120.82 1m8r h GLU 97 Ca 0.29 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1m8r h GLU 97 Cb 0.02 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1m8r h GLU 97 CO -0.05 0.90 -0.10 0.00 -1.16 0.00 0.00 179.01 178.60 1m8r h ASP 99 N -0.22 0.90 -0.28 0.00 3.32 -1.15 -2.17 116.42 116.82 1m8r h ASP 99 Ca 0.00 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1m8r h ASP 99 Cb 0.21 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1m8r h ASP 99 CO -0.02 0.87 0.16 -0.09 -1.72 0.00 0.00 179.24 178.44 1m8r h ARG 100 N 0.88 0.38 -0.80 3.56 2.43 -0.51 -1.25 114.38 119.07 1m8r h ARG 100 Ca 0.20 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1m8r h ARG 100 Cb 0.30 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1m8r h ARG 100 CO -0.01 0.31 0.51 0.00 -1.51 0.00 0.00 179.97 179.28 1m8r h ALA 101 N 1.05 1.01 -0.53 2.80 0.00 -0.96 -2.13 119.26 120.50 1m8r h ALA 101 Ca 0.10 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1m8r h ALA 101 Cb 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1m8r h ALA 101 CO -0.02 0.45 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 1m8r h ALA 102 N 1.28 0.72 -0.34 0.00 0.00 -1.17 -1.17 119.26 118.57 1m8r h ALA 102 Ca 0.29 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1m8r h ALA 102 Cb -0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1m8r h ALA 102 CO -0.06 0.55 0.21 0.00 0.00 0.00 0.00 179.25 179.94 1m8r h ALA 103 N 0.95 0.43 -0.61 0.00 0.00 -0.96 -0.28 119.26 118.79 1m8r h ALA 103 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1m8r h ALA 103 Cb 0.55 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1m8r h ALA 103 CO 0.03 -0.07 0.19 0.82 0.00 0.00 0.00 179.25 180.22 1m8r h ILE 104 N 0.44 1.24 -0.81 0.00 2.04 -1.33 -1.98 117.51 117.12 1m8r h ILE 104 Ca 0.12 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.18 1m8r h ILE 104 Cb 0.01 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 1m8r h ILE 104 CO -0.02 0.31 0.53 0.00 0.00 0.00 0.00 178.15 178.97 1m8r h PHE 106 N 1.05 0.64 -0.14 0.00 0.04 -0.81 -2.27 116.94 115.45 1m8r h PHE 106 Ca 0.31 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 61.02 1m8r h PHE 106 Cb -0.04 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 1m8r h PHE 106 CO -0.02 0.61 0.09 -0.09 -0.60 0.00 0.00 178.31 178.29 1m8r h ARG 107 N 0.49 0.18 0.00 1.51 2.43 -0.71 -2.69 114.38 115.59 1m8r h ARG 107 Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1m8r h ARG 107 Cb 0.27 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1m8r h ARG 107 CO -0.00 0.12 0.00 -0.44 -1.51 0.00 0.00 179.97 178.14 1m8r h ASP 108 N 0.18 0.00 -0.09 -3.80 3.32 -0.55 -3.06 116.42 112.42 1m8r h ASP 108 Ca 0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1m8r h ASP 108 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1m8r h ASP 108 CO -0.01 0.00 -0.07 0.59 -1.72 0.00 0.00 179.24 178.03 1m8r n ASN 109 N -2.39 2.63 0.27 6.45 3.02 -0.86 -4.63 115.26 119.75 1m8r n ASN 109 Ca 0.01 -3.24 0.14 0.00 -0.03 0.00 0.00 54.58 51.46 1m8r n ASN 109 Cb 0.19 -0.49 0.77 0.00 -0.61 0.00 0.00 39.78 39.65 1m8r n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1m8r h LEU 110 N 0.63 0.00 -1.90 3.41 3.38 -1.39 -2.71 115.31 116.73 1m8r h LEU 110 Ca 0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1m8r h LEU 110 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1m8r h LEU 110 CO 0.08 0.09 0.20 -0.55 0.09 0.00 0.00 178.44 178.36 1m8r h ASN 111 N 0.00 0.10 -0.14 -0.43 -0.00 -1.85 -2.65 115.58 110.62 1m8r h ASN 111 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1m8r h ASN 111 Cb 0.31 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.60 1m8r h ASN 111 CO 0.01 0.07 0.00 0.35 -0.00 0.00 0.00 177.43 177.86 1m8r n THR 112 N -4.48 0.48 -1.68 6.14 -2.24 -1.03 -5.01 114.28 106.46 1m8r n THR 112 Ca 0.03 -0.74 -0.45 0.00 -2.27 0.00 0.00 64.05 60.62 1m8r n THR 112 Cb 0.28 0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 69.32 1m8r n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m8r n TYR 113 N 0.39 2.42 -3.46 4.78 4.19 -1.00 -4.94 117.16 119.53 1m8r n TYR 113 Ca 0.07 0.08 -0.28 0.00 3.31 0.00 0.00 57.90 61.08 1m8r n TYR 113 Cb 0.30 -2.63 -0.11 0.00 0.49 0.00 0.00 39.34 37.39 1m8r n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1m8r s ASN 114 N 2.11 2.28 0.37 2.98 3.84 -1.26 -4.98 114.94 120.28 1m8r s ASN 114 Ca 0.82 -2.71 0.11 0.00 0.21 0.00 0.00 52.86 51.30 1m8r s ASN 114 Cb -0.62 -0.49 0.73 0.00 -0.55 0.00 0.00 41.25 40.32 1m8r s ASN 114 CO 0.40 -0.23 1.84 -2.24 -2.79 0.00 0.00 177.10 174.09 1m8r h ASP 115 N 6.25 0.07 -0.34 -4.21 2.03 -1.95 -1.67 116.42 116.61 1m8r h ASP 115 Ca 0.16 -0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.43 1m8r h ASP 115 Cb 0.93 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 39.39 1m8r h ASP 115 CO 0.34 0.39 0.20 0.11 -1.03 0.00 0.00 179.24 179.25 1m8r h LYS 116 N 0.06 0.50 0.07 4.15 1.79 -1.95 -0.39 116.57 120.80 1m8r h LYS 116 Ca 0.01 -0.04 -0.35 0.00 -2.18 0.00 0.00 60.65 58.08 1m8r h LYS 116 Cb 0.59 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.10 1m8r h LYS 116 CO 0.04 0.37 -2.04 1.17 -1.08 0.00 0.00 179.45 177.92 1m8r n LYS 117 N -4.44 0.71 0.00 3.15 4.81 -1.09 -4.64 118.16 116.67 1m8r n LYS 117 Ca 0.02 0.23 0.09 0.00 -0.87 0.00 0.00 58.31 57.79 1m8r n LYS 117 Cb 0.10 -1.68 -0.10 0.00 0.02 0.00 0.00 35.03 33.36 1m8r n LYS 117 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1m8r n TYR 118 N -3.29 0.00 -2.23 5.64 4.01 -0.65 -4.84 117.16 115.80 1m8r n TYR 118 Ca -0.31 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.02 1m8r n TYR 118 Cb 1.05 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.05 1m8r n TYR 118 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1m8r s TRP 119 N -2.81 3.26 -1.27 -0.72 -0.11 -0.16 -0.51 118.94 116.62 1m8r s TRP 119 Ca 0.08 1.32 -0.12 0.00 1.22 0.00 0.00 56.10 58.61 1m8r s TRP 119 Cb 0.15 -3.57 -0.00 0.00 -1.50 0.00 0.00 33.47 28.55 1m8r s TRP 119 CO 0.78 -1.69 0.62 0.00 -4.62 0.00 0.00 176.95 172.04 1m8r n ALA 120 N 2.10 -2.30 -0.06 5.86 0.00 -0.37 -4.86 120.51 120.88 1m8r n ALA 120 Ca 0.04 -0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.27 1m8r n ALA 120 Cb 0.43 -2.80 0.43 0.00 0.00 0.00 0.00 19.45 17.51 1m8r n ALA 120 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1m8r h PHE 121 N -1.92 0.54 0.00 0.00 3.57 -1.77 -3.49 116.94 113.88 1m8r h PHE 121 Ca -0.65 0.01 0.00 0.00 3.53 0.00 0.00 57.97 60.86 1m8r h PHE 121 Cb 1.37 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1m8r h PHE 121 CO 0.41 0.31 0.00 0.41 -2.23 0.00 0.00 178.31 177.21 1m8r n GLY 122 N -1.48 2.12 0.23 2.40 0.00 -1.26 -4.64 105.19 102.56 1m8r n GLY 122 Ca 0.06 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 1m8r n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m8r h ALA 123 N 0.00 0.79 -0.42 4.61 0.00 -1.94 -2.91 119.26 119.39 1m8r h ALA 123 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.53 1m8r h ALA 123 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1m8r h ALA 123 CO 0.00 0.65 0.29 0.87 0.00 0.00 0.00 179.25 181.06 1m8r h LYS 124 N 0.51 0.27 0.00 0.00 6.56 -2.01 0.40 116.57 122.30 1m8r h LYS 124 Ca 0.04 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1m8r h LYS 124 Cb 0.93 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 1m8r h LYS 124 CO 0.08 0.18 0.00 0.09 -2.06 0.00 0.00 179.45 177.74 1m8r n ASN 125 N -4.47 0.04 -3.09 0.86 3.02 -1.10 -3.84 115.26 106.67 1m8r n ASN 125 Ca 0.06 0.50 -0.26 0.00 -0.03 0.00 0.00 54.58 54.85 1m8r n ASN 125 Cb 0.29 -0.51 -0.05 0.00 -0.61 0.00 0.00 39.78 38.90 1m8r n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1m8r n PRO 127 N 0.14 1.97 0.25 0.00 -0.02 -1.20 -3.71 135.00 132.43 1m8r n PRO 127 Ca 0.30 0.69 0.07 0.00 -2.02 0.00 0.00 63.50 62.54 1m8r n PRO 127 Cb 0.44 -2.27 0.60 0.00 -0.02 0.00 0.00 33.50 32.25 1m8r n PRO 127 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1m8r h GLN 128 N 3.04 0.00 0.00 -0.52 5.75 -1.93 -1.58 115.11 119.87 1m8r h GLN 128 Ca -0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1m8r h GLN 128 Cb 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 1m8r h GLN 128 CO 0.67 0.08 0.00 0.93 -2.65 0.00 0.00 178.83 177.86 1m8r h GLU 129 N 0.00 0.00 -0.50 1.69 3.07 -1.99 -2.51 114.58 114.33 1m8r h GLU 129 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1m8r h GLU 129 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1m8r h GLU 129 CO 0.01 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.01 1m8r n GLU 130 N -2.36 3.38 -1.93 2.33 1.02 -0.61 -4.96 120.64 117.51 1m8r n GLU 130 Ca 0.02 -2.70 -0.43 0.00 -0.02 0.00 0.00 57.16 54.04 1m8r n GLU 130 Cb 0.26 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 1m8r n GLU 130 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1m8r s SER 131 N -1.15 5.95 0.11 1.62 0.01 -0.95 -2.97 113.70 116.33 1m8r s SER 131 Ca 0.43 1.57 -0.31 0.00 1.31 0.00 0.00 55.95 58.95 1m8r s SER 131 Cb 0.29 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.92 1m8r s SER 131 CO 0.19 -1.62 1.32 -0.70 0.41 0.00 0.00 173.24 172.84 1m8r s GLU 132 N 5.50 4.37 0.38 12.44 2.12 -1.07 -4.87 118.70 137.58 1m8r s GLU 132 Ca 0.83 1.98 -0.24 0.00 0.36 0.00 0.00 54.97 57.90 1m8r s GLU 132 Cb -0.26 -3.27 -0.10 0.00 0.26 0.00 0.00 34.13 30.76 1m8r s GLU 132 CO 0.33 -0.35 0.97 -1.25 -0.54 0.00 0.00 175.26 174.43 1m8r s PRO 133 N 0.88 4.33 0.00 4.30 0.04 -1.26 -5.01 135.00 138.28 1m8r s PRO 133 Ca 0.61 1.30 0.11 0.00 0.04 0.00 0.00 61.00 63.07 1m8r s PRO 133 Cb -0.35 -2.50 0.65 0.00 0.04 0.00 0.00 34.50 32.35 1m8r s PRO 133 CO 0.31 0.05 1.09 0.00 0.04 0.00 0.00 177.00 178.49