#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4r s HIS 39 N 0.00 3.71 -0.04 7.33 0.00 -1.26 -0.87 115.29 124.15 1m4r s HIS 39 Ca 0.00 1.56 -0.30 0.00 -3.00 0.00 0.00 55.06 53.32 1m4r s HIS 39 Cb 0.00 -2.94 -0.03 0.00 -4.00 0.00 0.00 32.58 25.61 1m4r s HIS 39 CO 0.00 0.16 1.16 0.00 -1.00 0.00 0.00 174.74 175.06 1m4r s ARG 41 N 1.97 0.87 -0.04 0.00 3.52 -1.26 -4.78 118.95 119.23 1m4r s ARG 41 Ca 0.55 -0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 55.91 1m4r s ARG 41 Cb -0.24 0.40 0.03 0.00 -1.56 0.00 0.00 34.95 33.59 1m4r s ARG 41 CO 0.23 -0.36 0.07 -0.51 -0.81 0.00 0.00 175.30 173.92 1m4r s LEU 42 N -2.23 0.63 0.44 -0.88 1.43 -0.69 -4.82 118.68 112.57 1m4r s LEU 42 Ca 0.02 0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.01 1m4r s LEU 42 Cb -0.01 0.03 -0.09 0.00 0.03 0.00 0.00 46.19 46.15 1m4r s LEU 42 CO -0.07 -0.18 1.23 -0.67 0.23 0.00 0.00 176.35 176.90 1m4r n ASP 43 N 4.61 2.33 0.31 2.29 -0.08 -1.26 -3.69 116.55 121.06 1m4r n ASP 43 Ca -0.19 1.07 0.17 0.00 -1.51 0.00 0.00 54.79 54.34 1m4r n ASP 43 Cb 0.50 -1.49 0.98 0.00 2.34 0.00 0.00 41.12 43.46 1m4r n ASP 43 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1m4r h LYS 44 N 1.89 0.00 -0.02 -0.67 3.64 -1.93 -2.29 116.57 117.19 1m4r h LYS 44 Ca -0.48 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1m4r h LYS 44 Cb 1.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1m4r h LYS 44 CO 0.59 0.02 0.03 0.66 -2.27 0.00 0.00 179.45 178.48 1m4r h SER 45 N 0.00 0.00 0.05 4.20 4.64 -1.98 -0.44 113.55 120.02 1m4r h SER 45 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m4r h SER 45 Cb 0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1m4r h SER 45 CO 0.00 0.00 -0.02 0.78 -0.87 0.00 0.00 176.83 176.72 1m4r h ASN 46 N 0.00 0.00 -0.19 4.97 2.35 -1.77 -2.82 115.58 118.13 1m4r h ASN 46 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1m4r h ASN 46 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1m4r h ASN 46 CO -0.00 0.02 0.00 0.49 -1.65 0.00 0.00 177.43 176.29 1m4r n PHE 47 N -3.95 0.50 -0.08 1.19 3.72 -0.18 -4.61 117.46 114.05 1m4r n PHE 47 Ca -0.03 -0.77 0.03 0.00 -0.05 0.00 0.00 57.45 56.63 1m4r n PHE 47 Cb 0.11 -0.18 0.07 0.00 -0.94 0.00 0.00 39.48 38.54 1m4r n PHE 47 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1m4r n GLN 48 N -0.50 2.90 -3.31 -1.08 6.02 -1.06 -4.97 117.38 115.38 1m4r n GLN 48 Ca 0.15 -1.76 -0.40 0.00 -0.01 0.00 0.00 57.00 54.98 1m4r n GLN 48 Cb 0.65 -1.13 -0.08 0.00 1.02 0.00 0.00 30.24 30.69 1m4r n GLN 48 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1m4r s GLN 49 N -0.99 3.80 0.25 -1.09 -1.52 -1.26 -4.99 119.66 113.86 1m4r s GLN 49 Ca 0.11 -0.07 -0.03 0.00 -1.95 0.00 0.00 55.36 53.42 1m4r s GLN 49 Cb 0.06 -3.74 0.42 0.00 -0.22 0.00 0.00 33.01 29.53 1m4r s GLN 49 CO 0.08 -0.47 1.83 -1.00 -0.25 0.00 0.00 175.29 175.48 1m4r h PRO 50 N 8.31 0.88 0.75 2.91 0.13 -1.98 -2.32 132.00 140.67 1m4r h PRO 50 Ca -0.29 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 1m4r h PRO 50 Cb 1.14 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1m4r h PRO 50 CO 0.71 0.58 -0.42 -0.92 -0.23 0.00 0.00 178.00 177.72 1m4r h TYR 51 N 0.90 -1.12 0.00 1.56 3.20 -1.99 0.35 116.97 119.87 1m4r h TYR 51 Ca 0.42 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.19 1m4r h TYR 51 Cb 0.33 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1m4r h TYR 51 CO -0.04 -0.65 -0.38 0.97 -1.64 0.00 0.00 178.16 176.42 1m4r h ILE 52 N -1.09 1.11 -0.45 1.81 6.09 -2.00 -1.77 117.51 121.22 1m4r h ILE 52 Ca -0.10 -1.39 -0.14 0.00 -1.37 0.00 0.00 64.86 61.85 1m4r h ILE 52 Cb 0.86 1.79 -0.01 0.00 0.47 0.00 0.00 36.82 39.92 1m4r h ILE 52 CO 0.12 0.38 -0.28 0.74 -3.07 0.00 0.00 178.15 176.04 1m4r h THR 53 N 0.00 1.27 -0.49 2.19 2.02 -1.34 -0.90 112.91 115.66 1m4r h THR 53 Ca -0.00 -1.45 -0.05 0.00 0.77 0.00 0.00 66.41 65.68 1m4r h THR 53 Cb 0.76 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1m4r h THR 53 CO 0.05 0.49 0.12 -1.13 0.37 0.00 0.00 175.52 175.42 1m4r h ASN 54 N 0.83 0.75 -0.72 4.18 -1.24 -0.59 -1.53 115.58 117.25 1m4r h ASN 54 Ca 0.09 -0.23 -0.00 0.00 0.71 0.00 0.00 56.30 56.87 1m4r h ASN 54 Cb 0.86 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.68 1m4r h ASN 54 CO 0.08 0.79 0.43 0.03 -1.29 0.00 0.00 177.43 177.46 1m4r h ARG 55 N 0.67 0.98 -0.04 6.67 2.47 -1.19 -0.26 114.38 123.67 1m4r h ARG 55 Ca 0.15 -0.09 -0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1m4r h ARG 55 Cb 0.33 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1m4r h ARG 55 CO 0.00 0.69 0.03 1.15 0.56 0.00 0.00 179.97 182.40 1m4r h THR 56 N 0.98 1.06 -0.25 2.04 2.02 -0.84 -0.37 112.91 117.55 1m4r h THR 56 Ca 0.26 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 1m4r h THR 56 Cb -0.03 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1m4r h THR 56 CO -0.05 0.05 -0.18 -0.26 0.37 0.00 0.00 175.52 175.45 1m4r h PHE 57 N 0.01 0.47 -0.30 3.16 -1.00 -1.08 -1.78 116.94 116.42 1m4r h PHE 57 Ca 0.02 -0.08 -0.13 0.00 2.81 0.00 0.00 57.97 60.58 1m4r h PHE 57 Cb 0.05 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 1m4r h PHE 57 CO -0.06 0.60 -0.35 0.52 -1.61 0.00 0.00 178.31 177.41 1m4r h MET 58 N 0.40 0.66 -0.59 1.51 2.86 -0.81 -0.86 114.93 118.10 1m4r h MET 58 Ca 0.07 -0.32 -0.10 0.00 -2.06 0.00 0.00 59.70 57.29 1m4r h MET 58 Cb 0.55 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1m4r h MET 58 CO 0.04 0.92 -0.02 1.25 1.06 0.00 0.00 176.91 180.16 1m4r h LEU 59 N 0.56 1.04 -0.33 1.22 5.85 -0.76 -1.47 115.31 121.41 1m4r h LEU 59 Ca 0.06 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1m4r h LEU 59 Cb 0.86 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1m4r h LEU 59 CO 0.07 1.10 0.15 0.00 -0.34 0.00 0.00 178.44 179.42 1m4r h ALA 60 N 0.98 0.43 0.15 1.25 0.00 -1.06 -1.43 119.26 119.58 1m4r h ALA 60 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1m4r h ALA 60 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1m4r h ALA 60 CO 0.03 0.00 -0.14 -0.22 0.00 0.00 0.00 179.25 178.93 1m4r h LYS 61 N 0.39 -0.30 -0.44 0.00 1.63 -0.97 0.44 116.57 117.33 1m4r h LYS 61 Ca 0.11 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.00 1m4r h LYS 61 Cb 0.14 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.78 1m4r h LYS 61 CO -0.01 -0.20 0.09 1.49 -3.45 0.00 0.00 179.45 177.37 1m4r h GLU 62 N -0.32 0.22 -0.63 1.90 4.81 -1.15 -1.94 114.58 117.47 1m4r h GLU 62 Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1m4r h GLU 62 Cb 0.30 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1m4r h GLU 62 CO -0.03 0.15 0.13 0.00 -0.73 0.00 0.00 179.01 178.52 1m4r h ALA 63 N 1.33 1.04 0.00 2.92 0.00 -1.02 -2.27 119.26 121.26 1m4r h ALA 63 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1m4r h ALA 63 Cb 0.26 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1m4r h ALA 63 CO -0.27 0.63 -0.09 0.66 0.00 0.00 0.00 179.25 180.17 1m4r h SER 64 N 0.95 0.00 0.92 0.00 4.64 -0.19 0.83 113.55 120.71 1m4r h SER 64 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1m4r h SER 64 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1m4r h SER 64 CO 0.01 0.09 0.00 0.18 -0.87 0.00 0.00 176.83 176.24 1m4r n LEU 65 N -4.03 0.36 -0.71 5.97 4.77 -0.80 -2.11 117.00 120.45 1m4r n LEU 65 Ca -0.02 0.56 0.09 0.00 -0.03 0.00 0.00 56.01 56.61 1m4r n LEU 65 Cb 0.18 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1m4r n LEU 65 CO 0.32 -0.24 0.51 0.00 -1.33 0.00 0.00 177.39 176.65 1m4r n ALA 66 N -1.64 2.57 -2.93 -1.18 0.00 0.24 -4.89 120.51 112.69 1m4r n ALA 66 Ca 0.05 -0.64 -0.39 0.00 0.00 0.00 0.00 53.44 52.46 1m4r n ALA 66 Cb 0.29 -0.63 -0.12 0.00 0.00 0.00 0.00 19.45 18.99 1m4r n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1m4r s ASP 67 N -1.63 5.54 0.00 0.00 2.15 -0.90 -4.96 116.67 116.88 1m4r s ASP 67 Ca 0.21 -0.81 0.26 0.00 0.43 0.00 0.00 52.55 52.64 1m4r s ASP 67 Cb 0.15 -1.98 0.64 0.00 -0.30 0.00 0.00 42.92 41.44 1m4r s ASP 67 CO 0.26 -0.29 1.51 0.59 -0.17 0.00 0.00 175.17 177.08 1m4r n ASN 68 N 4.95 2.05 -4.33 -0.34 3.02 -1.26 -4.73 115.26 114.63 1m4r n ASN 68 Ca -0.13 -1.64 -0.40 0.00 -0.03 0.00 0.00 54.58 52.38 1m4r n ASN 68 Cb 0.47 0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.67 1m4r n ASN 68 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1m4r n ASN 69 N 0.54 4.24 0.00 6.41 3.02 -1.26 -4.72 115.26 123.49 1m4r n ASN 69 Ca 0.16 -2.85 0.11 0.00 -0.03 0.00 0.00 54.58 51.97 1m4r n ASN 69 Cb 0.45 -1.69 0.55 0.00 -0.61 0.00 0.00 39.78 38.48 1m4r n ASN 69 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1m4r n THR 70 N 6.31 0.34 0.91 3.41 -2.24 -1.26 -3.22 114.28 118.53 1m4r n THR 70 Ca 0.49 0.08 0.11 0.00 -2.27 0.00 0.00 64.05 62.46 1m4r n THR 70 Cb 0.44 -0.70 0.03 0.00 -2.10 0.00 0.00 70.33 68.00 1m4r n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1m4r n ASP 71 N -1.35 0.74 -4.36 3.42 9.92 -1.26 -4.94 116.55 118.72 1m4r n ASP 71 Ca 0.09 -0.59 -0.32 0.00 -0.53 0.00 0.00 54.79 53.45 1m4r n ASP 71 Cb 0.21 0.72 -0.15 0.00 -0.64 0.00 0.00 41.12 41.26 1m4r n ASP 71 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1m4r s VAL 72 N -3.04 2.42 -0.08 2.53 1.01 -1.20 -5.11 120.40 116.92 1m4r s VAL 72 Ca 0.08 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1m4r s VAL 72 Cb 0.16 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.66 1m4r s VAL 72 CO 0.80 0.58 -0.17 -0.60 0.00 0.00 0.00 175.10 175.71 1m4r s ARG 73 N -0.54 2.25 -0.19 2.72 6.06 -1.26 -5.00 118.95 122.99 1m4r s ARG 73 Ca 0.08 -0.60 -0.22 0.00 -2.50 0.00 0.00 55.73 52.48 1m4r s ARG 73 Cb -0.11 -1.79 -0.21 0.00 0.06 0.00 0.00 34.95 32.90 1m4r s ARG 73 CO 0.00 0.07 0.35 -0.07 -2.50 0.00 0.00 175.30 173.16 1m4r h LEU 74 N 6.93 0.03 -8.30 -0.88 3.38 -1.99 -3.44 115.31 111.05 1m4r h LEU 74 Ca -0.27 -0.64 -0.71 0.00 0.09 0.00 0.00 57.88 56.36 1m4r h LEU 74 Cb 1.20 -0.01 -0.20 0.00 0.09 0.00 0.00 40.66 41.75 1m4r h LEU 74 CO 0.47 1.41 -0.04 -0.63 0.09 0.00 0.00 178.44 179.74 1m4r s ILE 75 N -2.34 4.96 0.00 1.22 1.01 -1.26 -4.77 121.20 120.01 1m4r s ILE 75 Ca -0.26 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1m4r s ILE 75 Cb 0.04 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1m4r s ILE 75 CO 0.63 -0.83 0.00 0.61 0.00 0.00 0.00 174.94 175.34 1m4r n GLY 76 N 5.21 2.19 0.31 6.18 0.00 -1.26 -5.04 105.19 112.78 1m4r n GLY 76 Ca -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1m4r n GLY 76 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1m4r h GLU 77 N 0.00 -0.03 -1.00 1.61 4.81 -1.98 -1.28 114.58 116.70 1m4r h GLU 77 Ca 0.00 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1m4r h GLU 77 Cb 0.00 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.30 1m4r h GLU 77 CO 0.00 -0.02 0.63 1.57 -0.73 0.00 0.00 179.01 180.45 1m4r h LYS 78 N -0.03 0.90 -0.31 1.92 -0.00 -1.97 -0.95 116.57 116.12 1m4r h LYS 78 Ca 0.35 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.95 1m4r h LYS 78 Cb 0.58 -0.20 -0.02 0.00 -0.00 0.00 0.00 32.23 32.59 1m4r h LYS 78 CO -0.81 0.60 0.21 1.25 -0.00 0.00 0.00 179.45 180.69 1m4r h LEU 79 N 0.93 0.36 -0.62 7.07 5.85 -1.53 -2.71 115.31 124.65 1m4r h LEU 79 Ca 0.51 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.22 1m4r h LEU 79 Cb 0.60 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1m4r h LEU 79 CO -0.29 0.27 -0.66 0.49 -0.34 0.00 0.00 178.44 177.91 1m4r n PHE 80 N -4.49 0.00 -1.67 1.25 3.72 -0.64 -4.82 117.46 110.81 1m4r n PHE 80 Ca 0.02 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 56.91 1m4r n PHE 80 Cb 0.07 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 1m4r n PHE 80 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1m4r n HIS 81 N -0.58 2.14 -0.48 1.38 -0.00 -0.46 -0.94 115.22 116.29 1m4r n HIS 81 Ca 0.07 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.52 1m4r n HIS 81 Cb 0.42 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.74 1m4r n HIS 81 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1m4r n GLY 82 N 3.88 1.89 3.62 1.57 0.00 -1.26 -4.99 105.19 109.90 1m4r n GLY 82 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1m4r n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m4r s VAL 83 N -3.43 5.06 0.61 1.61 1.01 -0.11 -5.01 120.40 120.14 1m4r s VAL 83 Ca 0.00 0.90 -0.15 0.00 0.00 0.00 0.00 61.98 62.73 1m4r s VAL 83 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1m4r s VAL 83 CO 0.00 0.08 1.05 -0.94 0.00 0.00 0.00 175.10 175.30 1m4r s SER 84 N 1.53 5.76 0.46 3.32 1.04 -1.26 -4.85 113.70 119.70 1m4r s SER 84 Ca 0.22 1.76 0.20 0.00 0.48 0.00 0.00 55.95 58.61 1m4r s SER 84 Cb -0.16 -2.52 1.19 0.00 0.10 0.00 0.00 66.02 64.63 1m4r s SER 84 CO 0.09 -1.18 1.91 0.24 0.98 0.00 0.00 173.24 175.27 1m4r h MET 85 N 0.24 0.27 0.00 4.02 0.00 -1.98 0.25 114.93 117.73 1m4r h MET 85 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 59.70 59.22 1m4r h MET 85 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 31.60 32.75 1m4r h MET 85 CO 0.58 0.18 0.00 -1.13 0.00 0.00 0.00 176.91 176.53 1m4r n SER 86 N -4.44 0.00 -0.10 1.22 3.41 -1.26 -3.09 113.62 109.36 1m4r n SER 86 Ca 0.16 0.33 0.03 0.00 -0.26 0.00 0.00 58.87 59.14 1m4r n SER 86 Cb 0.67 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 1m4r n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1m4r n GLU 87 N -1.43 3.29 -0.16 4.33 1.02 0.04 -4.72 120.64 123.00 1m4r n GLU 87 Ca 0.07 -0.30 -0.03 0.00 -0.02 0.00 0.00 57.16 56.88 1m4r n GLU 87 Cb 0.24 -0.92 0.06 0.00 -0.02 0.00 0.00 31.44 30.80 1m4r n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1m4r h ARG 88 N 0.47 0.36 -0.87 3.49 2.47 -1.39 -0.91 114.38 118.00 1m4r h ARG 88 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1m4r h ARG 88 Cb 0.21 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.41 1m4r h ARG 88 CO 0.00 0.23 0.55 0.00 0.56 0.00 0.00 179.97 181.31 1m4r h TYR 90 N 1.19 1.14 -0.32 0.00 3.20 -1.74 0.20 116.97 120.64 1m4r h TYR 90 Ca 0.32 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1m4r h TYR 90 Cb -0.08 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 37.83 1m4r h TYR 90 CO -0.00 0.87 0.18 1.25 -1.64 0.00 0.00 178.16 178.81 1m4r h LEU 91 N 1.09 0.41 -1.64 2.82 5.85 -0.19 -2.49 115.31 121.15 1m4r h LEU 91 Ca 0.25 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1m4r h LEU 91 Cb 0.22 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1m4r h LEU 91 CO -0.02 0.38 -0.19 0.24 -0.34 0.00 0.00 178.44 178.51 1m4r h MET 92 N 0.40 0.00 -0.71 1.25 2.86 -0.07 -1.58 114.93 117.08 1m4r h MET 92 Ca 0.11 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1m4r h MET 92 Cb 0.06 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1m4r h MET 92 CO -0.02 0.19 0.28 -0.22 1.06 0.00 0.00 176.91 178.20 1m4r h LYS 93 N 0.00 1.06 -0.42 1.72 3.64 -0.54 0.19 116.57 122.22 1m4r h LYS 93 Ca -0.00 -0.19 -0.15 0.00 -1.27 0.00 0.00 60.65 59.04 1m4r h LYS 93 Cb 0.35 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1m4r h LYS 93 CO 0.03 0.88 -0.31 1.96 -2.27 0.00 0.00 179.45 179.73 1m4r h GLN 94 N 1.01 0.94 -0.55 1.90 1.08 -0.97 -1.06 115.11 117.46 1m4r h GLN 94 Ca 0.24 -0.45 -0.09 0.00 -1.45 0.00 0.00 58.65 56.90 1m4r h GLN 94 Cb 0.22 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1m4r h GLN 94 CO -0.02 1.11 -0.01 0.28 -0.95 0.00 0.00 178.83 179.24 1m4r h VAL 95 N 0.79 1.26 0.01 -0.54 2.07 -1.04 -1.67 116.25 117.13 1m4r h VAL 95 Ca 0.08 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 1m4r h VAL 95 Cb 0.89 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1m4r h VAL 95 CO 0.08 0.40 -0.00 0.25 0.02 0.00 0.00 177.57 178.32 1m4r h LEU 96 N 0.85 -0.01 -1.02 2.57 5.85 -0.46 -0.42 115.31 122.67 1m4r h LEU 96 Ca 0.15 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1m4r h LEU 96 Cb 0.55 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1m4r h LEU 96 CO 0.03 0.13 0.28 0.78 -0.34 0.00 0.00 178.44 179.32 1m4r h ASN 97 N -0.15 0.90 -0.16 1.25 2.35 -1.15 0.57 115.58 119.20 1m4r h ASN 97 Ca -0.00 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1m4r h ASN 97 Cb 0.14 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1m4r h ASN 97 CO 0.00 0.79 0.06 0.15 -1.65 0.00 0.00 177.43 176.79 1m4r h PHE 98 N 0.97 0.24 -0.65 1.19 3.57 -1.16 -1.02 116.94 120.08 1m4r h PHE 98 Ca 0.23 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1m4r h PHE 98 Cb 0.17 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1m4r h PHE 98 CO 0.01 0.31 0.39 1.15 -2.23 0.00 0.00 178.31 177.94 1m4r h THR 99 N 0.10 1.18 0.18 4.41 2.02 -0.50 -0.11 112.91 120.18 1m4r h THR 99 Ca 0.05 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1m4r h THR 99 Cb 0.17 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1m4r h THR 99 CO -0.00 0.19 -0.08 -0.07 0.37 0.00 0.00 175.52 175.92 1m4r h LEU 100 N 0.89 -0.20 -0.32 2.58 3.38 -0.64 0.13 115.31 121.13 1m4r h LEU 100 Ca 0.23 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1m4r h LEU 100 Cb -0.04 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1m4r h LEU 100 CO -0.04 0.21 0.02 -0.33 0.09 0.00 0.00 178.44 178.38 1m4r h GLU 101 N -0.65 0.56 -0.02 1.13 4.39 -0.99 -0.06 114.58 118.94 1m4r h GLU 101 Ca -0.02 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1m4r h GLU 101 Cb 0.47 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1m4r h GLU 101 CO 0.04 0.67 -0.08 0.39 -1.16 0.00 0.00 179.01 178.87 1m4r n GLU 102 N -4.56 1.35 0.03 2.33 1.02 -0.07 -4.46 120.64 116.27 1m4r n GLU 102 Ca -0.02 -1.27 0.00 0.00 -0.02 0.00 0.00 57.16 55.85 1m4r n GLU 102 Cb 0.25 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1m4r n GLU 102 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1m4r n VAL 103 N 0.61 0.44 -0.21 2.62 0.31 -0.84 -4.75 118.33 116.53 1m4r n VAL 103 Ca 0.08 0.15 -0.09 0.00 -0.01 0.00 0.00 64.34 64.47 1m4r n VAL 103 Cb 0.37 -1.08 0.02 0.00 -0.91 0.00 0.00 33.84 32.24 1m4r n VAL 103 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1m4r h LEU 104 N 0.00 0.97 0.03 7.52 3.38 -0.80 -1.98 115.31 124.43 1m4r h LEU 104 Ca 0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1m4r h LEU 104 Cb 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1m4r h LEU 104 CO 0.00 1.01 -0.01 -0.26 0.09 0.00 0.00 178.44 179.26 1m4r h PHE 105 N 0.89 -0.04 -0.08 1.13 0.04 -1.22 0.96 116.94 118.62 1m4r h PHE 105 Ca 0.17 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.96 1m4r h PHE 105 Cb 0.48 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.64 1m4r h PHE 105 CO 0.04 0.17 0.06 -1.35 -0.60 0.00 0.00 178.31 176.62 1m4r h PRO 106 N -0.24 0.00 -0.54 1.51 0.11 -1.77 -1.35 132.00 129.73 1m4r h PRO 106 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1m4r h PRO 106 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1m4r h PRO 106 CO 0.01 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.84 1m4r n GLN 107 N -4.51 2.68 -0.02 1.05 1.13 -0.75 -4.69 117.38 112.27 1m4r n GLN 107 Ca -0.01 -2.37 0.23 0.00 -1.94 0.00 0.00 57.00 52.91 1m4r n GLN 107 Cb 0.16 -1.45 0.72 0.00 0.11 0.00 0.00 30.24 29.78 1m4r n GLN 107 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1m4r h SER 108 N 3.49 0.00 -0.59 1.08 4.64 0.22 -0.30 113.55 122.08 1m4r h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m4r h SER 108 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1m4r h SER 108 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 1m4r n ASP 109 N -4.15 4.76 -4.80 4.97 5.75 -1.26 -4.55 116.55 117.26 1m4r n ASP 109 Ca 0.11 -2.55 -0.27 0.00 -0.01 0.00 0.00 54.79 52.08 1m4r n ASP 109 Cb 0.71 -0.60 -0.05 0.00 -1.03 0.00 0.00 41.12 40.15 1m4r n ASP 109 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1m4r s ARG 110 N -2.07 2.23 -1.46 0.11 6.06 -0.13 -4.74 118.95 118.96 1m4r s ARG 110 Ca 0.49 -2.02 -0.06 0.00 -2.50 0.00 0.00 55.73 51.64 1m4r s ARG 110 Cb 0.33 -1.93 0.04 0.00 0.06 0.00 0.00 34.95 33.45 1m4r s ARG 110 CO 0.21 -0.35 0.63 1.19 -2.50 0.00 0.00 175.30 174.48 1m4r n PHE 111 N -1.44 -1.83 -2.26 5.12 3.72 -1.26 -4.54 117.46 114.98 1m4r n PHE 111 Ca -0.05 0.80 -0.36 0.00 -0.05 0.00 0.00 57.45 57.79 1m4r n PHE 111 Cb 0.65 -3.77 -0.00 0.00 -0.94 0.00 0.00 39.48 35.41 1m4r n PHE 111 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1m4r s GLN 112 N -6.52 3.54 0.00 -1.08 -0.21 -1.26 -2.32 119.66 111.81 1m4r s GLN 112 Ca 0.24 1.69 0.21 0.00 0.02 0.00 0.00 55.36 57.53 1m4r s GLN 112 Cb -0.13 -2.19 -0.01 0.00 1.00 0.00 0.00 33.01 31.69 1m4r s GLN 112 CO 0.87 -0.71 1.05 -0.35 -2.12 0.00 0.00 175.29 174.03 1m4r n PRO 113 N -0.93 1.32 0.03 2.91 -0.04 -1.26 -4.88 135.00 132.15 1m4r n PRO 113 Ca 0.10 -0.99 0.03 0.00 -0.04 0.00 0.00 63.50 62.59 1m4r n PRO 113 Cb 0.50 -1.44 0.39 0.00 -0.04 0.00 0.00 33.50 32.90 1m4r n PRO 113 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1m4r h TYR 114 N 2.38 0.45 -0.75 0.54 0.05 -1.91 -2.73 116.97 115.00 1m4r h TYR 114 Ca 0.00 -0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.81 1m4r h TYR 114 Cb 0.73 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 38.27 1m4r h TYR 114 CO 0.00 0.38 0.45 1.98 -1.05 0.00 0.00 178.16 179.93 1m4r h MET 115 N 0.45 0.83 0.00 4.88 4.05 -1.70 -1.43 114.93 122.02 1m4r h MET 115 Ca 0.11 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1m4r h MET 115 Cb 0.14 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1m4r h MET 115 CO -0.01 0.55 0.00 1.04 0.23 0.00 0.00 176.91 178.72 1m4r n GLN 116 N -4.68 0.12 -0.11 0.39 3.00 -1.03 -1.76 117.38 113.31 1m4r n GLN 116 Ca 0.09 0.44 -0.13 0.00 -0.01 0.00 0.00 57.00 57.39 1m4r n GLN 116 Cb 0.14 -1.77 -0.13 0.00 0.00 0.00 0.00 30.24 28.47 1m4r n GLN 116 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1m4r n GLU 117 N -2.01 0.74 -0.01 -1.09 1.02 -0.69 -4.51 120.64 114.09 1m4r n GLU 117 Ca 0.01 0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 57.05 1m4r n GLU 117 Cb 0.16 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.00 1m4r n GLU 117 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1m4r h VAL 118 N 0.00 1.31 -0.25 2.62 2.07 -1.09 -3.25 116.25 117.67 1m4r h VAL 118 Ca -0.53 -1.98 0.04 0.00 0.82 0.00 0.00 66.70 65.05 1m4r h VAL 118 Cb 2.01 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 33.90 1m4r h VAL 118 CO -0.03 0.61 0.02 0.58 0.02 0.00 0.00 177.57 178.77 1m4r h VAL 119 N 0.34 0.85 -0.68 2.57 2.07 -1.59 -0.74 116.25 119.07 1m4r h VAL 119 Ca -0.06 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1m4r h VAL 119 Cb 1.37 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1m4r h VAL 119 CO 0.15 0.02 0.45 -0.65 0.02 0.00 0.00 177.57 177.56 1m4r h PRO 120 N 0.11 0.90 0.31 1.57 0.11 -1.79 0.32 132.00 133.53 1m4r h PRO 120 Ca 0.12 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1m4r h PRO 120 Cb 0.14 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1m4r h PRO 120 CO -0.18 0.60 -0.15 0.35 -0.21 0.00 0.00 178.00 178.41 1m4r h PHE 121 N 0.93 -0.39 -0.51 0.65 3.57 -1.42 -1.62 116.94 118.15 1m4r h PHE 121 Ca 0.25 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1m4r h PHE 121 Cb -0.10 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1m4r h PHE 121 CO 0.00 -0.19 0.14 -0.07 -2.23 0.00 0.00 178.31 175.97 1m4r h LEU 122 N -0.51 0.70 -1.03 0.59 3.38 -0.74 -2.15 115.31 115.55 1m4r h LEU 122 Ca -0.04 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1m4r h LEU 122 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1m4r h LEU 122 CO 0.07 0.68 0.14 0.00 0.09 0.00 0.00 178.44 179.41 1m4r h ALA 123 N 1.42 1.21 -0.26 1.53 0.00 -0.83 -0.98 119.26 121.35 1m4r h ALA 123 Ca 0.17 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1m4r h ALA 123 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1m4r h ALA 123 CO -0.01 0.54 -0.22 0.00 0.00 0.00 0.00 179.25 179.56 1m4r h ARG 124 N 0.81 0.49 -0.48 0.00 3.08 -0.66 0.48 114.38 118.11 1m4r h ARG 124 Ca 0.18 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1m4r h ARG 124 Cb 0.29 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1m4r h ARG 124 CO -0.00 0.68 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.37 1m4r h LEU 125 N 0.44 0.95 -0.53 3.04 3.38 -1.02 -1.10 115.31 120.47 1m4r h LEU 125 Ca 0.07 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1m4r h LEU 125 Cb 0.63 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1m4r h LEU 125 CO 0.04 1.10 0.35 -1.28 0.09 0.00 0.00 178.44 178.75 1m4r h SER 126 N 0.79 0.60 -0.39 -0.43 0.87 -0.72 -1.54 113.55 112.73 1m4r h SER 126 Ca 0.12 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1m4r h SER 126 Cb 0.70 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1m4r h SER 126 CO 0.05 0.44 0.17 -1.13 -0.53 0.00 0.00 176.83 175.83 1m4r h ASN 127 N 0.71 0.58 -0.55 6.23 -1.24 -0.56 0.72 115.58 121.47 1m4r h ASN 127 Ca 0.19 -0.07 -0.10 0.00 0.71 0.00 0.00 56.30 57.04 1m4r h ASN 127 Cb -0.08 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 38.80 1m4r h ASN 127 CO -0.04 0.54 -0.04 -0.09 -1.29 0.00 0.00 177.43 176.51 1m4r h ARG 128 N 0.64 1.00 0.00 6.67 1.12 -0.49 -2.79 114.38 120.52 1m4r h ARG 128 Ca 0.15 -0.34 0.00 0.00 -1.11 0.00 0.00 59.98 58.69 1m4r h ARG 128 Cb 0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 1m4r h ARG 128 CO -0.01 1.02 0.00 -0.07 -3.11 0.00 0.00 179.97 177.79 1m4r h LEU 129 N 0.88 0.00 -9.02 3.80 3.38 -0.64 -3.47 115.31 110.24 1m4r h LEU 129 Ca 0.15 0.00 -0.84 0.00 0.09 0.00 0.00 57.88 57.29 1m4r h LEU 129 Cb 0.59 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.36 1m4r h LEU 129 CO 0.04 0.00 0.53 -1.54 0.09 0.00 0.00 178.44 177.55 1m4r n SER 130 N -2.37 0.99 0.00 -0.43 3.41 0.19 -0.96 113.62 114.44 1m4r n SER 130 Ca 0.05 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 1m4r n SER 130 Cb 0.42 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1m4r n SER 130 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1m4r n THR 131 N 3.31 0.00 -1.95 6.66 -1.04 -1.26 -5.00 114.28 115.00 1m4r n THR 131 Ca 0.27 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.94 1m4r n THR 131 Cb 0.00 -0.13 0.03 0.00 -1.82 0.00 0.00 70.33 68.41 1m4r n THR 131 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m4r s HIS 133 N -2.14 0.92 0.08 0.00 -3.43 -0.05 -4.90 115.29 105.77 1m4r s HIS 133 Ca 0.69 -1.23 0.07 0.00 -0.80 0.00 0.00 55.06 53.79 1m4r s HIS 133 Cb -0.22 0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 30.99 1m4r s HIS 133 CO 0.36 -1.24 -0.11 0.96 -2.00 0.00 0.00 174.74 172.71 1m4r s ILE 134 N -2.82 3.34 -1.54 -5.38 -4.36 -1.26 -4.35 121.20 104.82 1m4r s ILE 134 Ca 0.28 -1.19 0.29 0.00 -0.26 0.00 0.00 60.65 59.77 1m4r s ILE 134 Cb -0.01 -2.53 0.58 0.00 1.25 0.00 0.00 42.46 41.75 1m4r s ILE 134 CO 0.19 0.18 2.04 -1.84 0.24 0.00 0.00 174.94 175.75 1m4r n GLU 135 N 0.92 0.52 -2.66 0.37 0.28 -1.26 -4.85 120.64 113.97 1m4r n GLU 135 Ca -0.14 0.01 -0.14 0.00 -0.16 0.00 0.00 57.16 56.73 1m4r n GLU 135 Cb 0.52 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.91 1m4r n GLU 135 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1m4r n GLY 136 N 1.14 2.59 3.75 -1.84 0.00 -1.26 -5.09 105.19 104.47 1m4r n GLY 136 Ca 0.16 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 1m4r n GLY 136 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1m4r s ASP 137 N -2.97 7.53 -0.21 1.61 2.15 -1.26 -4.96 116.67 118.56 1m4r s ASP 137 Ca 0.24 1.98 0.15 0.00 0.43 0.00 0.00 52.55 55.34 1m4r s ASP 137 Cb -0.02 -2.61 0.53 0.00 -0.30 0.00 0.00 42.92 40.52 1m4r s ASP 137 CO 0.15 0.04 1.44 -0.90 -0.17 0.00 0.00 175.17 175.73 1m4r n ASP 138 N 1.76 3.55 -0.27 -0.34 5.75 -1.26 -4.68 116.55 121.05 1m4r n ASP 138 Ca -0.01 -3.21 -0.01 0.00 -0.01 0.00 0.00 54.79 51.56 1m4r n ASP 138 Cb 0.47 -0.57 0.12 0.00 -1.03 0.00 0.00 41.12 40.10 1m4r n ASP 138 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1m4r h LEU 139 N 1.57 0.72 -0.90 -2.12 6.46 -1.99 0.24 115.31 119.30 1m4r h LEU 139 Ca 0.07 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.75 1m4r h LEU 139 Cb 1.53 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 41.31 1m4r h LEU 139 CO 0.28 0.47 -0.18 1.12 -0.62 0.00 0.00 178.44 179.51 1m4r h HIS 140 N 0.85 0.68 -0.47 1.25 2.07 -1.97 -2.10 115.15 115.45 1m4r h HIS 140 Ca 0.33 -0.13 -0.09 0.00 -2.85 0.00 0.00 60.37 57.63 1m4r h HIS 140 Cb 0.15 -0.17 -0.02 0.00 2.57 0.00 0.00 27.41 29.94 1m4r h HIS 140 CO -0.05 0.75 -0.05 0.82 -3.07 0.00 0.00 177.93 176.33 1m4r h ILE 141 N 0.55 1.27 -0.76 6.12 2.04 -1.63 -2.09 117.51 123.01 1m4r h ILE 141 Ca 0.09 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1m4r h ILE 141 Cb 0.62 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1m4r h ILE 141 CO 0.04 0.40 0.44 1.56 0.00 0.00 0.00 178.15 180.59 1m4r h GLN 142 N 0.72 1.05 -0.35 2.37 4.20 -0.73 -1.49 115.11 120.88 1m4r h GLN 142 Ca 0.13 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1m4r h GLN 142 Cb 0.58 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1m4r h GLN 142 CO 0.03 0.76 0.16 0.00 -0.67 0.00 0.00 178.83 179.11 1m4r h ARG 143 N 1.05 0.51 -0.79 1.46 3.08 -1.20 -0.38 114.38 118.11 1m4r h ARG 143 Ca 0.27 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 1m4r h ARG 143 Cb -0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1m4r h ARG 143 CO -0.05 0.48 0.32 -0.91 -1.07 0.00 0.00 179.97 178.74 1m4r h ASN 144 N 0.43 1.08 -0.34 7.04 4.21 -1.10 -2.06 115.58 124.85 1m4r h ASN 144 Ca 0.12 -0.17 -0.15 0.00 1.21 0.00 0.00 56.30 57.31 1m4r h ASN 144 Cb 0.14 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 37.06 1m4r h ASN 144 CO -0.01 0.96 -0.38 0.58 -1.29 0.00 0.00 177.43 177.29 1m4r h VAL 145 N 1.15 1.28 -0.92 2.81 2.07 -1.14 -2.96 116.25 118.54 1m4r h VAL 145 Ca 0.26 -1.55 0.04 0.00 0.82 0.00 0.00 66.70 66.28 1m4r h VAL 145 Cb 0.21 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1m4r h VAL 145 CO -0.02 0.51 0.60 -0.61 0.02 0.00 0.00 177.57 178.07 1m4r h GLN 146 N 0.64 1.09 -0.37 1.57 5.75 -0.78 -0.22 115.11 122.80 1m4r h GLN 146 Ca 0.05 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 1m4r h GLN 146 Cb 0.97 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 29.25 1m4r h GLN 146 CO 0.09 0.72 -0.06 -0.22 -2.65 0.00 0.00 178.83 176.71 1m4r h LYS 147 N 1.12 0.62 -0.31 1.69 1.63 -1.28 0.23 116.57 120.27 1m4r h LYS 147 Ca 0.38 -0.17 -0.09 0.00 -0.85 0.00 0.00 60.65 59.92 1m4r h LYS 147 Cb 0.07 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1m4r h LYS 147 CO -0.12 0.68 -0.14 1.25 -3.45 0.00 0.00 179.45 177.67 1m4r h LEU 148 N 0.57 0.66 -0.51 5.20 6.46 -1.08 -0.56 115.31 126.06 1m4r h LEU 148 Ca 0.11 -0.40 -0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1m4r h LEU 148 Cb 0.46 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1m4r h LEU 148 CO 0.02 0.92 0.30 0.11 -0.62 0.00 0.00 178.44 179.17 1m4r h LYS 149 N 0.40 0.70 -0.89 1.25 1.57 -0.56 -1.79 116.57 117.25 1m4r h LYS 149 Ca 0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1m4r h LYS 149 Cb 0.67 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1m4r h LYS 149 CO 0.04 0.52 0.51 -0.44 -0.57 0.00 0.00 179.45 179.51 1m4r h ASP 150 N 0.68 1.10 -0.71 0.86 3.32 -0.39 -2.09 116.42 119.19 1m4r h ASP 150 Ca 0.18 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1m4r h ASP 150 Cb 0.01 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1m4r h ASP 150 CO -0.03 0.87 0.20 0.74 -1.72 0.00 0.00 179.24 179.29 1m4r h THR 151 N 1.24 1.26 -0.62 0.35 2.02 -0.65 -0.49 112.91 116.02 1m4r h THR 151 Ca 0.32 -0.93 -0.06 0.00 0.77 0.00 0.00 66.41 66.51 1m4r h THR 151 Cb -0.01 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1m4r h THR 151 CO -0.05 0.36 0.16 0.58 0.37 0.00 0.00 175.52 176.93 1m4r h VAL 152 N 1.07 1.25 -0.48 3.16 2.07 -0.94 -2.43 116.25 119.96 1m4r h VAL 152 Ca 0.23 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 1m4r h VAL 152 Cb 0.33 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1m4r h VAL 152 CO -0.00 0.34 -0.13 0.11 0.02 0.00 0.00 177.57 177.91 1m4r h LYS 153 N 0.91 0.93 -0.20 1.57 1.57 -1.08 -1.30 116.57 118.96 1m4r h LYS 153 Ca 0.20 -0.36 0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1m4r h LYS 153 Cb 0.35 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1m4r h LYS 153 CO 0.00 1.02 0.14 0.87 -0.57 0.00 0.00 179.45 180.92 1m4r h LYS 154 N 0.78 0.05 0.00 3.15 1.57 -0.92 0.20 116.57 121.40 1m4r h LYS 154 Ca 0.12 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1m4r h LYS 154 Cb 0.69 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1m4r h LYS 154 CO 0.05 0.03 -0.68 -0.07 -0.57 0.00 0.00 179.45 178.21 1m4r h LEU 155 N 0.05 0.00 0.00 2.94 3.38 -1.03 -3.50 115.31 117.15 1m4r h LEU 155 Ca 0.09 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1m4r h LEU 155 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1m4r h LEU 155 CO -0.01 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1m4r n GLY 156 N 1.31 2.08 0.26 0.83 0.00 0.06 -3.10 105.19 106.63 1m4r n GLY 156 Ca 0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 46.02 45.52 1m4r n GLY 156 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1m4r h GLU 157 N 0.00 0.61 0.00 1.61 4.57 -1.89 0.16 114.58 119.64 1m4r h GLU 157 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1m4r h GLU 157 Cb 0.00 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1m4r h GLU 157 CO 0.00 0.40 0.00 0.66 -1.18 0.00 0.00 179.01 178.89 1m4r h SER 158 N 0.63 0.00 -0.28 1.04 4.64 -1.89 -0.90 113.55 116.79 1m4r h SER 158 Ca 0.32 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.48 1m4r h SER 158 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1m4r h SER 158 CO -0.23 0.00 -0.47 1.23 -0.87 0.00 0.00 176.83 176.49 1m4r h GLY 159 N 1.03 0.89 1.22 -0.77 0.00 -0.70 0.37 103.07 105.10 1m4r h GLY 159 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 47.33 46.19 1m4r h GLY 159 CO 0.00 0.91 -0.25 0.83 0.00 0.00 0.00 176.54 178.03 1m4r h GLU 160 N 0.57 0.89 -0.47 4.80 5.08 -1.12 -1.69 114.58 122.64 1m4r h GLU 160 Ca 0.02 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 1m4r h GLU 160 Cb 1.07 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1m4r h GLU 160 CO 0.11 1.04 0.18 0.82 -1.00 0.00 0.00 179.01 180.15 1m4r h ILE 161 N 0.77 1.21 -0.49 3.13 1.08 -1.29 -2.13 117.51 119.80 1m4r h ILE 161 Ca 0.10 -0.67 -0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1m4r h ILE 161 Cb 0.80 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 1m4r h ILE 161 CO 0.07 0.25 0.30 0.50 -0.69 0.00 0.00 178.15 178.57 1m4r h LYS 162 N 0.62 0.66 -0.99 2.37 3.64 -0.73 0.36 116.57 122.49 1m4r h LYS 162 Ca 0.16 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1m4r h LYS 162 Cb 0.21 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 1m4r h LYS 162 CO -0.01 0.48 0.64 0.00 -2.27 0.00 0.00 179.45 178.29 1m4r h ALA 163 N 1.14 1.34 -0.36 5.00 0.00 -1.09 0.31 119.26 125.61 1m4r h ALA 163 Ca 0.17 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1m4r h ALA 163 Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1m4r h ALA 163 CO -0.03 0.48 -0.31 0.82 0.00 0.00 0.00 179.25 180.21 1m4r h ILE 164 N 1.20 1.28 0.00 0.00 2.04 -0.91 -2.43 117.51 118.69 1m4r h ILE 164 Ca 0.41 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1m4r h ILE 164 Cb 0.09 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1m4r h ILE 164 CO -0.15 0.48 -0.04 1.23 0.00 0.00 0.00 178.15 179.67 1m4r h GLY 165 N 0.93 0.00 -3.33 5.37 0.00 0.76 -2.14 103.07 104.65 1m4r h GLY 165 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1m4r h GLY 165 CO 0.07 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.79 1m4r n GLU 166 N -3.27 4.31 0.30 4.80 1.02 -0.07 -4.46 120.64 123.27 1m4r n GLU 166 Ca -0.01 -3.04 0.17 0.00 -0.02 0.00 0.00 57.16 54.26 1m4r n GLU 166 Cb 0.21 -2.08 0.95 0.00 -0.02 0.00 0.00 31.44 30.50 1m4r n GLU 166 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1m4r h LEU 167 N 4.12 0.00 -0.47 -4.62 3.38 -1.25 -0.38 115.31 116.08 1m4r h LEU 167 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1m4r h LEU 167 Cb 1.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 1m4r h LEU 167 CO 0.36 0.03 -0.43 -2.24 0.09 0.00 0.00 178.44 176.25 1m4r h ASP 168 N 0.00 0.85 0.46 -0.43 2.03 -1.83 0.20 116.42 117.69 1m4r h ASP 168 Ca -0.00 -0.40 -0.16 0.00 -0.73 0.00 0.00 57.03 55.73 1m4r h ASP 168 Cb 0.12 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.37 1m4r h ASP 168 CO 0.00 1.16 -0.71 -0.07 -1.03 0.00 0.00 179.24 178.60 1m4r h LEU 169 N 0.64 0.25 -0.24 0.15 3.38 -1.50 -1.89 115.31 116.10 1m4r h LEU 169 Ca 0.04 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1m4r h LEU 169 Cb 1.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1m4r h LEU 169 CO 0.10 0.88 -0.07 0.25 0.09 0.00 0.00 178.44 179.68 1m4r h LEU 170 N 0.14 0.47 -0.10 1.67 5.85 -0.90 0.73 115.31 123.17 1m4r h LEU 170 Ca -0.02 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.35 1m4r h LEU 170 Cb 1.26 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1m4r h LEU 170 CO 0.11 0.74 -0.03 0.15 -0.34 0.00 0.00 178.44 179.06 1m4r h PHE 171 N 0.20 -0.07 -0.09 1.25 3.04 -0.53 -0.15 116.94 120.59 1m4r h PHE 171 Ca 0.06 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.91 1m4r h PHE 171 Cb 0.54 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.08 1m4r h PHE 171 CO 0.05 -0.05 -0.41 0.00 -2.02 0.00 0.00 178.31 175.88 1m4r h MET 172 N -0.01 0.21 -0.19 1.11 -0.00 -1.27 -1.98 114.93 112.79 1m4r h MET 172 Ca 0.05 -0.10 -0.20 0.00 -0.00 0.00 0.00 59.70 59.46 1m4r h MET 172 Cb 0.09 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.69 1m4r h MET 172 CO -0.11 0.59 -0.65 0.77 -0.00 0.00 0.00 176.91 177.51 1m4r h SER 173 N 0.17 0.90 -0.33 -0.10 0.02 -0.57 0.37 113.55 114.02 1m4r h SER 173 Ca 0.02 -0.60 -0.01 0.00 -0.84 0.00 0.00 61.79 60.36 1m4r h SER 173 Cb 0.81 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1m4r h SER 173 CO 0.06 1.34 0.17 -0.07 -1.14 0.00 0.00 176.83 177.20 1m4r h LEU 174 N 0.51 0.41 0.29 5.07 3.38 -0.91 0.19 115.31 124.25 1m4r h LEU 174 Ca -0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1m4r h LEU 174 Cb 1.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1m4r h LEU 174 CO 0.14 0.39 -0.14 -0.09 0.09 0.00 0.00 178.44 178.83 1m4r h ARG 175 N 0.40 -0.38 -0.84 1.13 2.43 -1.30 -0.33 114.38 115.50 1m4r h ARG 175 Ca 0.11 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1m4r h ARG 175 Cb 0.08 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1m4r h ARG 175 CO -0.02 -0.20 0.45 -0.91 -1.51 0.00 0.00 179.97 177.79 1m4r h ASN 176 N -0.47 1.05 1.55 -3.80 2.35 -0.83 -2.09 115.58 113.35 1m4r h ASN 176 Ca -0.04 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 1m4r h ASN 176 Cb 0.35 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1m4r h ASN 176 CO 0.07 0.84 -0.46 0.00 -1.65 0.00 0.00 177.43 176.23 1m4r h ALA 177 N 1.32 0.78 0.00 -0.83 0.00 -0.90 -3.39 119.26 116.24 1m4r h ALA 177 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1m4r h ALA 177 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1m4r h ALA 177 CO -0.05 0.28 -1.40 0.00 0.00 0.00 0.00 179.25 178.08