#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mct s VAL 17 N 0.00 5.34 -0.58 1.39 1.01 0.48 -4.04 120.40 124.01 1mct s VAL 17 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1mct s VAL 17 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1mct s VAL 17 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1mct n GLY 18 N 3.13 0.80 0.00 4.51 0.00 -1.25 -1.65 105.19 110.73 1mct n GLY 18 Ca -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1mct n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mct n GLY 19 N -2.29 1.90 3.11 -0.02 0.00 -1.26 -4.87 105.19 101.76 1mct n GLY 19 Ca -0.05 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 1mct n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mct s TYR 20 N 2.23 0.65 -0.03 1.61 1.13 -0.15 -4.93 117.35 117.86 1mct s TYR 20 Ca 0.00 -0.92 -0.30 0.00 -1.41 0.00 0.00 57.07 54.44 1mct s TYR 20 Cb 0.00 -0.42 -0.06 0.00 -1.10 0.00 0.00 41.96 40.38 1mct s TYR 20 CO 0.00 -0.25 1.61 0.99 -2.51 0.00 0.00 175.55 175.39 1mct s THR 21 N -3.39 3.53 0.58 -3.49 2.01 -1.26 -0.27 115.64 113.34 1mct s THR 21 Ca 0.06 0.75 -0.20 0.00 0.31 0.00 0.00 61.69 62.60 1mct s THR 21 Cb 0.04 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1mct s THR 21 CO -0.06 -0.05 1.31 0.00 -0.69 0.00 0.00 174.62 175.13 1mct s ALA 23 N -1.37 2.21 0.49 0.00 0.00 -1.26 -4.90 121.76 116.92 1mct s ALA 23 Ca 0.75 0.39 -0.22 0.00 0.00 0.00 0.00 51.96 52.88 1mct s ALA 23 Cb -0.38 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.36 1mct s ALA 23 CO 0.43 -1.78 1.16 0.00 0.00 0.00 0.00 175.76 175.57 1mct s ALA 24 N -2.72 2.87 0.00 0.00 0.00 -1.26 -1.89 121.76 118.76 1mct s ALA 24 Ca 0.64 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1mct s ALA 24 Cb -0.19 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1mct s ALA 24 CO 0.53 -0.73 0.00 0.09 0.00 0.00 0.00 175.76 175.65 1mct n ASN 25 N -0.78 0.00 -4.88 0.00 5.03 -1.26 -5.01 115.26 108.36 1mct n ASN 25 Ca 0.09 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.24 1mct n ASN 25 Cb 0.49 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.28 1mct n ASN 25 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1mct s SER 26 N -3.05 5.83 -1.20 6.41 0.01 -0.79 -4.33 113.70 116.57 1mct s SER 26 Ca 0.00 1.22 -0.15 0.00 1.31 0.00 0.00 55.95 58.33 1mct s SER 26 Cb 0.00 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 64.06 1mct s SER 26 CO 0.00 -1.09 0.72 -0.38 0.41 0.00 0.00 173.24 172.90 1mct n ILE 27 N -2.83 -5.28 0.30 1.44 2.08 -1.26 -4.89 119.36 108.91 1mct n ILE 27 Ca 0.06 -0.84 0.13 0.00 0.56 0.00 0.00 62.75 62.66 1mct n ILE 27 Cb 0.56 -4.03 0.62 0.00 -0.75 0.00 0.00 39.64 36.04 1mct n ILE 27 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1mct h PRO 28 N -1.86 0.00 0.00 0.38 0.13 -1.80 -2.50 132.00 126.34 1mct h PRO 28 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1mct h PRO 28 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1mct h PRO 28 CO 0.51 0.00 -0.46 2.48 -0.23 0.00 0.00 178.00 180.31 1mct n TYR 29 N -2.44 0.03 -2.07 1.56 0.18 -1.16 -2.13 117.16 111.12 1mct n TYR 29 Ca 0.00 0.01 -0.41 0.00 1.88 0.00 0.00 57.90 59.38 1mct n TYR 29 Cb 0.16 -0.30 -0.02 0.00 -0.38 0.00 0.00 39.34 38.80 1mct n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1mct s GLN 30 N -3.01 4.30 0.22 -3.48 2.00 -0.94 -0.85 119.66 117.90 1mct s GLN 30 Ca 0.11 2.23 0.08 0.00 -2.00 0.00 0.00 55.36 55.78 1mct s GLN 30 Cb 0.17 -3.13 -0.05 0.00 0.80 0.00 0.00 33.01 30.80 1mct s GLN 30 CO 0.68 -0.37 -0.14 0.14 -0.50 0.00 0.00 175.29 175.11 1mct s VAL 31 N 0.00 1.79 -0.13 1.34 -7.23 -0.56 -4.43 120.40 111.18 1mct s VAL 31 Ca 0.58 -2.22 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1mct s VAL 31 Cb -0.40 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 1mct s VAL 31 CO 0.42 -0.56 -0.04 -0.55 -0.31 0.00 0.00 175.10 174.06 1mct s SER 32 N -3.34 4.78 -0.21 4.85 0.15 -0.34 -2.32 113.70 117.27 1mct s SER 32 Ca 0.24 -0.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.68 1mct s SER 32 Cb -0.01 -1.63 -0.05 0.00 -1.71 0.00 0.00 66.02 62.63 1mct s SER 32 CO 0.08 0.23 0.21 -0.76 1.20 0.00 0.00 173.24 174.20 1mct s LEU 33 N 0.01 4.18 -0.07 3.45 1.43 0.14 -0.64 118.68 127.17 1mct s LEU 33 Ca 0.00 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1mct s LEU 33 Cb -0.13 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1mct s LEU 33 CO 0.03 0.09 -0.14 0.21 0.23 0.00 0.00 176.35 176.76 1mct s ASN 34 N 0.72 2.00 -0.44 2.29 3.84 -0.01 -1.59 114.94 121.74 1mct s ASN 34 Ca 0.11 -0.34 0.10 0.00 0.21 0.00 0.00 52.86 52.94 1mct s ASN 34 Cb -0.13 -0.92 0.35 0.00 -0.55 0.00 0.00 41.25 40.00 1mct s ASN 34 CO 0.03 0.05 0.82 -1.54 -2.79 0.00 0.00 177.10 173.67 1mct n SER 37 N 3.80 2.21 0.00 -4.21 3.41 -1.26 -1.18 113.62 116.39 1mct n SER 37 Ca -0.22 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.14 1mct n SER 37 Cb 0.52 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1mct n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mct n GLY 38 N 0.07 3.02 3.15 5.00 0.00 -1.26 -4.97 105.19 110.19 1mct n GLY 38 Ca 0.27 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 1mct n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mct s SER 39 N 0.05 0.24 0.24 1.61 0.01 -1.26 -5.12 113.70 109.47 1mct s SER 39 Ca 0.00 -0.71 -0.31 0.00 1.31 0.00 0.00 55.95 56.24 1mct s SER 39 Cb 0.00 0.27 -0.12 0.00 0.21 0.00 0.00 66.02 66.38 1mct s SER 39 CO 0.00 -0.63 1.61 1.57 0.41 0.00 0.00 173.24 176.20 1mct n HIS 40 N 0.23 2.67 0.00 2.43 -0.00 -1.26 -4.32 115.22 114.97 1mct n HIS 40 Ca -0.16 0.21 0.00 0.00 0.46 0.00 0.00 57.72 58.23 1mct n HIS 40 Cb 0.61 -2.60 0.00 0.00 -0.12 0.00 0.00 29.99 27.88 1mct n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1mct n PHE 41 N 2.84 0.00 -3.54 1.57 -1.74 -0.62 -4.95 117.46 111.01 1mct n PHE 41 Ca 0.12 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.90 1mct n PHE 41 Cb 0.34 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.31 1mct n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1mct n GLY 43 N -0.26 2.13 3.95 0.00 0.00 0.66 -0.68 105.19 110.99 1mct n GLY 43 Ca -0.17 -2.17 -0.00 0.00 0.00 0.00 0.00 46.02 43.68 1mct n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mct s GLY 44 N -2.86 0.03 -0.03 -0.02 0.00 -0.98 -3.78 107.32 99.68 1mct s GLY 44 Ca 0.20 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.72 1mct s GLY 44 CO 0.13 4.24 -0.06 -0.56 0.00 0.00 0.00 173.10 176.85 1mct s SER 45 N -3.65 0.96 -0.21 1.64 0.01 -0.51 -1.50 113.70 110.44 1mct s SER 45 Ca 0.26 -0.14 -0.27 0.00 1.31 0.00 0.00 55.95 57.11 1mct s SER 45 Cb -0.02 -0.32 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 1mct s SER 45 CO 0.03 0.02 0.94 -0.22 0.41 0.00 0.00 173.24 174.41 1mct s LEU 46 N 0.43 4.12 -0.01 2.44 2.96 -0.03 -1.14 118.68 127.45 1mct s LEU 46 Ca -0.06 1.25 0.12 0.00 -0.22 0.00 0.00 54.13 55.23 1mct s LEU 46 Cb -0.10 -3.38 -0.16 0.00 0.50 0.00 0.00 46.19 43.05 1mct s LEU 46 CO 0.00 -0.56 0.41 2.30 -1.32 0.00 0.00 176.35 177.19 1mct n ILE 47 N 5.14 0.00 -3.82 6.68 -5.35 -0.73 -1.67 119.36 119.60 1mct n ILE 47 Ca 0.08 -0.24 -0.09 0.00 -0.27 0.00 0.00 62.75 62.23 1mct n ILE 47 Cb 0.47 0.67 0.02 0.00 -1.74 0.00 0.00 39.64 39.07 1mct n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1mct s ASN 48 N -2.68 0.11 0.32 7.28 2.20 -1.22 -4.65 114.94 116.30 1mct s ASN 48 Ca 0.01 -1.24 0.25 0.00 -0.94 0.00 0.00 52.86 50.94 1mct s ASN 48 Cb 0.09 0.86 1.13 0.00 -2.00 0.00 0.00 41.25 41.32 1mct s ASN 48 CO 0.51 -1.71 1.75 0.77 -2.94 0.00 0.00 177.10 175.48 1mct h SER 49 N 2.00 0.00 -0.00 3.54 4.64 -1.96 -3.12 113.55 118.66 1mct h SER 49 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1mct h SER 49 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1mct h SER 49 CO 0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 176.32 1mct n GLN 50 N -2.36 2.87 -4.63 4.77 6.02 -1.26 -0.21 117.38 122.59 1mct n GLN 50 Ca 0.01 -0.33 -0.22 0.00 -0.01 0.00 0.00 57.00 56.45 1mct n GLN 50 Cb 0.18 -0.84 -0.15 0.00 1.02 0.00 0.00 30.24 30.45 1mct n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1mct s TRP 51 N -0.77 1.22 -0.01 1.08 0.52 -1.18 -0.44 118.94 119.36 1mct s TRP 51 Ca 0.02 -0.23 0.08 0.00 0.02 0.00 0.00 56.10 55.99 1mct s TRP 51 Cb 0.02 -0.79 -0.02 0.00 -1.15 0.00 0.00 33.47 31.53 1mct s TRP 51 CO 0.08 -0.02 -0.26 0.08 0.02 0.00 0.00 176.95 176.85 1mct s VAL 52 N -0.32 2.09 -0.06 4.03 1.01 0.19 -1.78 120.40 125.56 1mct s VAL 52 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1mct s VAL 52 Cb -0.05 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1mct s VAL 52 CO -0.01 0.54 -0.05 0.54 0.00 0.00 0.00 175.10 176.13 1mct s VAL 53 N -0.65 3.89 0.00 2.92 0.11 -0.29 -0.78 120.40 125.59 1mct s VAL 53 Ca 0.10 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1mct s VAL 53 Cb -0.10 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.13 1mct s VAL 53 CO -0.00 0.57 0.00 -0.24 -3.33 0.00 0.00 175.10 172.10 1mct n SER 54 N 2.09 0.00 -4.84 3.54 2.88 -0.30 -1.43 113.62 115.56 1mct n SER 54 Ca -0.18 -0.61 -0.37 0.00 -1.33 0.00 0.00 58.87 56.38 1mct n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1mct n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mct s ALA 55 N -1.51 3.68 0.34 -1.46 0.00 -1.26 -0.99 121.76 120.56 1mct s ALA 55 Ca 0.00 -0.21 0.23 0.00 0.00 0.00 0.00 51.96 51.98 1mct s ALA 55 Cb 0.00 -2.41 1.14 0.00 0.00 0.00 0.00 23.12 21.85 1mct s ALA 55 CO 0.00 0.48 1.95 0.00 0.00 0.00 0.00 175.76 178.20 1mct h ALA 56 N 4.35 1.26 0.00 0.00 0.00 -1.70 -1.46 119.26 121.72 1mct h ALA 56 Ca -0.51 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1mct h ALA 56 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1mct h ALA 56 CO 0.63 0.26 0.00 -2.39 0.00 0.00 0.00 179.25 177.75 1mct n HIS 57 N -3.71 0.00 1.35 0.00 1.44 -1.26 -1.84 115.22 111.20 1mct n HIS 57 Ca -0.01 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.75 1mct n HIS 57 Cb 0.32 -0.29 0.22 0.00 0.12 0.00 0.00 29.99 30.36 1mct n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1mct s TYR 59 N -1.75 2.89 0.04 0.00 5.04 -0.77 -5.01 117.35 117.78 1mct s TYR 59 Ca 0.21 0.52 -0.02 0.00 -2.44 0.00 0.00 57.07 55.33 1mct s TYR 59 Cb 0.11 -4.09 -0.02 0.00 0.35 0.00 0.00 41.96 38.31 1mct s TYR 59 CO 0.15 -3.96 0.02 0.15 -1.34 0.00 0.00 175.55 170.57 1mct s LYS 60 N 0.67 0.51 0.37 4.97 1.02 -1.26 -5.06 119.74 120.96 1mct s LYS 60 Ca 0.71 -0.84 0.26 0.00 0.02 0.00 0.00 55.97 56.11 1mct s LYS 60 Cb -0.48 0.19 0.78 0.00 -0.52 0.00 0.00 37.83 37.79 1mct s LYS 60 CO 0.37 -0.11 1.75 0.66 -0.92 0.00 0.00 175.35 177.10 1mct h SER 61 N 3.82 0.00 -3.23 2.83 4.64 -2.02 -3.41 113.55 116.18 1mct h SER 61 Ca -0.33 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.49 1mct h SER 61 Cb 1.18 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.90 1mct h SER 61 CO 0.52 0.00 -0.79 -0.13 -0.87 0.00 0.00 176.83 175.56 1mct s ARG 62 N -3.29 1.29 -0.03 4.77 0.52 -1.26 -5.10 118.95 115.86 1mct s ARG 62 Ca 0.06 -0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 1mct s ARG 62 Cb 0.09 -1.39 0.03 0.00 0.52 0.00 0.00 34.95 34.19 1mct s ARG 62 CO 0.58 -0.24 -0.00 0.42 0.02 0.00 0.00 175.30 176.08 1mct s ILE 63 N 1.64 0.17 -0.20 1.52 1.01 -1.26 -4.75 121.20 119.33 1mct s ILE 63 Ca 0.03 0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.67 1mct s ILE 63 Cb -0.13 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 1mct s ILE 63 CO -0.06 0.14 0.08 -1.58 0.00 0.00 0.00 174.94 173.52 1mct s GLN 64 N 0.95 3.96 -0.18 2.79 0.74 -0.32 -1.41 119.66 126.19 1mct s GLN 64 Ca -0.10 -0.34 -0.13 0.00 0.05 0.00 0.00 55.36 54.84 1mct s GLN 64 Cb -0.13 -3.28 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 1mct s GLN 64 CO -0.02 0.19 0.28 0.08 -0.55 0.00 0.00 175.29 175.27 1mct s VAL 65 N 0.61 5.31 -0.22 1.34 1.01 0.33 -0.83 120.40 127.95 1mct s VAL 65 Ca 0.04 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 1mct s VAL 65 Cb -0.13 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1mct s VAL 65 CO 0.01 0.37 -0.08 -0.13 0.00 0.00 0.00 175.10 175.27 1mct s ARG 66 N 0.61 3.12 0.22 2.72 0.52 0.18 -0.89 118.95 125.43 1mct s ARG 66 Ca 0.15 -0.78 0.08 0.00 -0.52 0.00 0.00 55.73 54.65 1mct s ARG 66 Cb -0.13 -2.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 1mct s ARG 66 CO 0.04 -0.27 0.04 -0.51 0.02 0.00 0.00 175.30 174.62 1mct s LEU 67 N 1.39 3.40 -1.23 2.53 1.02 0.05 -1.20 118.68 124.64 1mct s LEU 67 Ca 0.04 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.76 1mct s LEU 67 Cb -0.15 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.08 1mct s LEU 67 CO -0.06 0.04 0.00 0.61 0.02 0.00 0.00 176.35 176.96 1mct n GLY 69 N -0.56 0.44 3.82 -3.19 0.00 -1.26 -1.31 105.19 103.13 1mct n GLY 69 Ca -0.08 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 1mct n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mct s GLU 70 N -4.05 4.17 0.19 1.61 0.41 -1.26 -3.90 118.70 115.86 1mct s GLU 70 Ca 0.00 0.72 0.00 0.00 -0.41 0.00 0.00 54.97 55.28 1mct s GLU 70 Cb 0.00 -3.04 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 1mct s GLU 70 CO 0.00 0.52 0.00 1.58 -0.49 0.00 0.00 175.26 176.87 1mct n HIS 71 N 1.14 -1.38 -3.29 1.61 -0.00 -1.26 -4.96 115.22 107.09 1mct n HIS 71 Ca -0.06 0.24 -0.44 0.00 -0.00 0.00 0.00 57.72 57.46 1mct n HIS 71 Cb 0.51 0.37 -0.07 0.00 -0.00 0.00 0.00 29.99 30.79 1mct n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1mct s ASN 72 N -5.31 6.18 0.09 0.26 3.84 -1.26 -1.80 114.94 116.95 1mct s ASN 72 Ca 0.00 -1.05 0.17 0.00 0.21 0.00 0.00 52.86 52.19 1mct s ASN 72 Cb 0.00 -2.23 0.73 0.00 -0.55 0.00 0.00 41.25 39.20 1mct s ASN 72 CO 0.00 -0.73 1.53 2.30 -2.79 0.00 0.00 177.10 177.42 1mct n ILE 73 N 5.40 0.98 1.00 -5.21 -5.35 -0.34 -2.83 119.36 113.01 1mct n ILE 73 Ca -0.09 0.26 0.10 0.00 -0.27 0.00 0.00 62.75 62.75 1mct n ILE 73 Cb 0.45 -1.09 -0.04 0.00 -1.74 0.00 0.00 39.64 37.22 1mct n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1mct n ASP 74 N -1.77 1.01 -4.13 7.28 8.00 -1.26 -4.93 116.55 120.76 1mct n ASP 74 Ca 0.03 -0.92 -0.26 0.00 0.71 0.00 0.00 54.79 54.34 1mct n ASP 74 Cb 0.18 0.83 -0.16 0.00 -0.02 0.00 0.00 41.12 41.95 1mct n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1mct s VAL 75 N -2.95 1.42 -0.53 2.53 1.01 -1.13 -5.09 120.40 115.66 1mct s VAL 75 Ca 0.10 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 1mct s VAL 75 Cb 0.16 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.35 1mct s VAL 75 CO 0.81 0.41 1.16 -0.76 0.00 0.00 0.00 175.10 176.72 1mct s LEU 76 N 0.10 3.55 0.08 3.92 1.43 -1.26 -4.74 118.68 121.76 1mct s LEU 76 Ca -0.05 0.28 0.24 0.00 -1.03 0.00 0.00 54.13 53.57 1mct s LEU 76 Cb -0.12 -3.36 0.34 0.00 0.03 0.00 0.00 46.19 43.09 1mct s LEU 76 CO 0.03 -1.37 1.30 -0.62 0.23 0.00 0.00 176.35 175.92 1mct n GLU 77 N 8.13 0.22 -0.33 1.70 1.02 -1.26 -4.98 120.64 125.13 1mct n GLU 77 Ca 0.10 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1mct n GLU 77 Cb 0.49 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1mct n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mct n GLY 78 N 1.38 0.78 0.30 0.62 0.00 -1.26 -4.94 105.19 102.08 1mct n GLY 78 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1mct n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mct n ASN 79 N 0.00 1.45 -4.78 1.61 3.02 -1.26 -5.05 115.26 110.24 1mct n ASN 79 Ca 0.00 -1.22 -0.36 0.00 -0.03 0.00 0.00 54.58 52.97 1mct n ASN 79 Cb 0.00 0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 1mct n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1mct s GLU 80 N -1.32 4.03 -0.14 3.52 8.01 -1.25 -4.54 118.70 127.01 1mct s GLU 80 Ca 0.10 1.53 0.02 0.00 0.01 0.00 0.00 54.97 56.62 1mct s GLU 80 Cb 0.09 -2.44 0.01 0.00 -4.31 0.00 0.00 34.13 27.49 1mct s GLU 80 CO 0.24 -0.26 -0.19 -0.65 0.01 0.00 0.00 175.26 174.42 1mct s GLN 81 N -2.67 2.67 -0.29 1.61 -0.21 -0.42 -4.99 119.66 115.36 1mct s GLN 81 Ca 0.60 -0.72 -0.07 0.00 0.02 0.00 0.00 55.36 55.20 1mct s GLN 81 Cb -0.22 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.56 1mct s GLN 81 CO 0.27 -0.09 0.08 -0.06 -2.12 0.00 0.00 175.29 173.37 1mct s PHE 82 N 1.03 3.14 -0.06 0.91 0.08 -1.26 -0.77 117.98 121.05 1mct s PHE 82 Ca -0.03 -0.89 0.02 0.00 0.12 0.00 0.00 56.93 56.15 1mct s PHE 82 Cb -0.15 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.06 1mct s PHE 82 CO -0.05 -0.54 -0.10 0.42 -0.10 0.00 0.00 175.22 174.85 1mct s ILE 83 N 1.52 0.96 0.40 0.64 1.01 -0.06 -4.96 121.20 120.71 1mct s ILE 83 Ca 0.03 -0.38 -0.25 0.00 0.00 0.00 0.00 60.65 60.06 1mct s ILE 83 Cb -0.17 -0.89 -0.08 0.00 0.01 0.00 0.00 42.46 41.32 1mct s ILE 83 CO 0.03 0.31 1.12 0.20 0.00 0.00 0.00 174.94 176.60 1mct s ASN 84 N 0.71 6.58 0.02 3.58 -0.87 -1.26 -0.51 114.94 123.19 1mct s ASN 84 Ca -0.13 2.23 -0.30 0.00 -1.57 0.00 0.00 52.86 53.08 1mct s ASN 84 Cb -0.15 -2.60 -0.05 0.00 -0.02 0.00 0.00 41.25 38.42 1mct s ASN 84 CO 0.03 -0.62 1.28 0.00 -2.57 0.00 0.00 177.10 175.22 1mct s ALA 85 N -1.51 3.50 -0.20 0.60 0.00 -0.50 -0.44 121.76 123.21 1mct s ALA 85 Ca 0.58 0.84 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 1mct s ALA 85 Cb -0.27 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.21 1mct s ALA 85 CO 0.34 -0.68 -0.07 0.00 0.00 0.00 0.00 175.76 175.35 1mct n ALA 86 N 4.67 0.79 -2.62 0.00 0.00 0.64 -4.77 120.51 119.23 1mct n ALA 86 Ca 0.11 -0.63 -0.33 0.00 0.00 0.00 0.00 53.44 52.59 1mct n ALA 86 Cb 0.45 -0.21 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 1mct n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1mct s LYS 87 N -2.42 2.73 -0.22 0.00 1.02 -0.88 -4.95 119.74 115.02 1mct s LYS 87 Ca -0.27 -0.59 -0.04 0.00 0.02 0.00 0.00 55.97 55.09 1mct s LYS 87 Cb 0.07 -2.61 0.08 0.00 -0.52 0.00 0.00 37.83 34.84 1mct s LYS 87 CO 0.46 0.64 0.09 0.42 -0.92 0.00 0.00 175.35 176.04 1mct s ILE 88 N -0.93 0.11 -0.26 2.17 1.01 -1.26 -1.01 121.20 121.03 1mct s ILE 88 Ca 0.15 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1mct s ILE 88 Cb -0.11 -0.87 0.06 0.00 0.01 0.00 0.00 42.46 41.55 1mct s ILE 88 CO 0.05 -0.44 -0.07 -0.63 0.00 0.00 0.00 174.94 173.85 1mct s ILE 89 N 2.03 1.89 0.40 2.92 1.01 0.16 -5.00 121.20 124.62 1mct s ILE 89 Ca 0.04 -1.52 -0.17 0.00 0.00 0.00 0.00 60.65 59.00 1mct s ILE 89 Cb -0.16 -2.10 -0.09 0.00 0.01 0.00 0.00 42.46 40.11 1mct s ILE 89 CO -0.19 -0.12 0.86 0.42 0.00 0.00 0.00 174.94 175.92 1mct s THR 90 N 1.21 4.56 0.25 2.92 -4.23 -1.26 -0.59 115.64 118.50 1mct s THR 90 Ca -0.06 1.15 -0.31 0.00 -1.18 0.00 0.00 61.69 61.30 1mct s THR 90 Cb -0.19 -3.64 -0.13 0.00 1.34 0.00 0.00 72.50 69.88 1mct s THR 90 CO -0.06 -0.36 1.47 1.57 -0.54 0.00 0.00 174.62 176.70 1mct n HIS 91 N -0.78 2.36 0.08 3.99 -0.00 -0.63 -4.86 115.22 115.38 1mct n HIS 91 Ca 0.05 0.37 0.19 0.00 0.46 0.00 0.00 57.72 58.79 1mct n HIS 91 Cb 0.54 -2.50 0.73 0.00 -0.12 0.00 0.00 29.99 28.64 1mct n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1mct h PRO 92 N 4.46 0.00 -0.47 1.57 0.13 -1.93 -1.80 132.00 133.96 1mct h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1mct h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1mct h PRO 92 CO 0.77 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.63 1mct n ASN 93 N -4.11 4.17 -4.68 1.44 5.03 -1.26 -4.99 115.26 110.86 1mct n ASN 93 Ca 0.07 -2.52 -0.45 0.00 0.87 0.00 0.00 54.58 52.54 1mct n ASN 93 Cb 0.51 -0.50 -0.03 0.00 -1.02 0.00 0.00 39.78 38.74 1mct n ASN 93 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1mct n PHE 94 N 0.53 2.33 -3.99 3.10 7.35 -0.68 -4.63 117.46 121.47 1mct n PHE 94 Ca 0.22 0.29 -0.34 0.00 -0.76 0.00 0.00 57.45 56.86 1mct n PHE 94 Cb 0.80 -2.54 -0.15 0.00 0.35 0.00 0.00 39.48 37.95 1mct n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1mct s ASN 95 N 0.72 4.21 0.54 -2.13 3.84 -0.62 -4.99 114.94 116.49 1mct s ASN 95 Ca 0.74 -0.90 0.30 0.00 0.21 0.00 0.00 52.86 53.22 1mct s ASN 95 Cb -0.64 -1.63 1.48 0.00 -0.55 0.00 0.00 41.25 39.91 1mct s ASN 95 CO 0.42 -0.12 2.06 1.23 -2.79 0.00 0.00 177.10 177.89 1mct h GLY 96 N 7.98 0.00 0.48 1.21 0.00 -1.94 0.51 103.07 111.32 1mct h GLY 96 Ca -0.33 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.80 1mct h GLY 96 CO 0.57 0.00 -1.02 3.43 0.00 0.00 0.00 176.54 179.52 1mct h ASN 97 N 0.00 0.33 0.19 0.19 2.35 -1.97 -3.37 115.58 113.30 1mct h ASN 97 Ca -0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 1mct h ASN 97 Cb 0.39 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1mct h ASN 97 CO 0.01 1.45 -1.06 0.35 -1.65 0.00 0.00 177.43 176.54 1mct n THR 98 N -4.13 0.05 -1.55 2.81 -2.24 -1.15 -4.96 114.28 103.11 1mct n THR 98 Ca -0.20 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.28 1mct n THR 98 Cb 0.80 0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 69.52 1mct n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1mct n LEU 99 N -1.72 -1.28 -4.77 3.22 4.77 0.18 -5.00 117.00 112.40 1mct n LEU 99 Ca 0.03 0.40 -0.38 0.00 -0.03 0.00 0.00 56.01 56.03 1mct n LEU 99 Cb 0.39 -2.45 -0.02 0.00 -2.33 0.00 0.00 43.42 39.00 1mct n LEU 99 CO 0.41 -0.86 0.83 -0.62 -1.33 0.00 0.00 177.39 175.82 1mct s ASP 100 N -2.79 6.52 -1.29 -1.43 2.15 -1.21 -3.40 116.67 115.22 1mct s ASP 100 Ca 0.00 2.31 -0.03 0.00 0.43 0.00 0.00 52.55 55.26 1mct s ASP 100 Cb 0.00 -2.61 0.01 0.00 -0.30 0.00 0.00 42.92 40.02 1mct s ASP 100 CO 0.00 -0.67 0.96 0.59 -0.17 0.00 0.00 175.17 175.88 1mct n ASN 101 N 0.02 -3.02 -4.28 -0.34 4.13 -1.26 -1.60 115.26 108.92 1mct n ASN 101 Ca 0.05 -0.67 -0.43 0.00 1.68 0.00 0.00 54.58 55.21 1mct n ASN 101 Cb 0.47 -4.72 0.00 0.00 -1.54 0.00 0.00 39.78 33.99 1mct n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1mct n ASP 102 N -3.06 4.78 -3.75 6.41 2.03 -1.22 -4.15 116.55 117.59 1mct n ASP 102 Ca -0.20 -2.94 -0.13 0.00 0.52 0.00 0.00 54.79 52.05 1mct n ASP 102 Cb 0.63 -1.66 -0.10 0.00 -0.72 0.00 0.00 41.12 39.27 1mct n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1mct s ILE 103 N 2.95 0.01 0.01 5.18 2.07 -1.26 -3.86 121.20 126.30 1mct s ILE 103 Ca 0.48 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.66 1mct s ILE 103 Cb 0.05 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 42.12 1mct s ILE 103 CO 0.02 -0.04 -0.02 -0.32 -1.91 0.00 0.00 174.94 172.67 1mct s MET 104 N -0.03 0.18 -0.07 3.50 -2.45 -0.16 -1.61 119.30 118.66 1mct s MET 104 Ca -0.02 -0.31 0.02 0.00 -1.25 0.00 0.00 55.69 54.13 1mct s MET 104 Cb -0.03 0.02 -0.03 0.00 1.25 0.00 0.00 34.83 36.05 1mct s MET 104 CO 0.01 -0.02 -0.10 -0.51 1.05 0.00 0.00 175.02 175.45 1mct s LEU 105 N -0.73 2.96 -0.10 4.11 1.43 0.24 -1.15 118.68 125.44 1mct s LEU 105 Ca -0.08 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1mct s LEU 105 Cb -0.05 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1mct s LEU 105 CO -0.00 0.34 -0.22 -0.63 0.23 0.00 0.00 176.35 176.07 1mct s ILE 106 N -0.66 1.87 -0.24 -0.59 1.01 0.04 -0.66 121.20 121.97 1mct s ILE 106 Ca 0.10 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 1mct s ILE 106 Cb -0.11 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1mct s ILE 106 CO 0.01 0.52 0.12 -0.75 0.00 0.00 0.00 174.94 174.84 1mct s LYS 107 N 0.43 3.91 0.46 2.79 2.20 -0.18 -0.64 119.74 128.72 1mct s LYS 107 Ca -0.17 -0.35 -0.23 0.00 -0.36 0.00 0.00 55.97 54.85 1mct s LYS 107 Cb -0.17 -3.44 -0.07 0.00 -1.51 0.00 0.00 37.83 32.63 1mct s LYS 107 CO 0.07 -0.02 1.23 -0.51 -0.36 0.00 0.00 175.35 175.77 1mct s LEU 108 N 1.22 4.02 0.44 5.43 1.43 0.41 -0.26 118.68 131.38 1mct s LEU 108 Ca 0.06 2.47 0.21 0.00 -1.03 0.00 0.00 54.13 55.84 1mct s LEU 108 Cb -0.14 -4.18 1.04 0.00 0.03 0.00 0.00 46.19 42.94 1mct s LEU 108 CO 0.05 -1.03 1.91 0.77 0.23 0.00 0.00 176.35 178.28 1mct h SER 109 N 2.07 0.00 -4.91 2.29 4.64 -1.05 -3.42 113.55 113.16 1mct h SER 109 Ca -0.50 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.62 1mct h SER 109 Cb 1.26 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.14 1mct h SER 109 CO 0.60 0.25 -0.71 -0.44 -0.87 0.00 0.00 176.83 175.66 1mct s SER 110 N -6.43 0.47 0.46 4.97 0.01 -1.26 -5.00 113.70 106.92 1mct s SER 110 Ca -0.02 -0.54 -0.24 0.00 1.31 0.00 0.00 55.95 56.46 1mct s SER 110 Cb 0.13 0.08 -0.07 0.00 0.21 0.00 0.00 66.02 66.37 1mct s SER 110 CO 0.65 -0.28 1.33 -2.84 0.41 0.00 0.00 173.24 172.51 1mct s PRO 111 N -1.61 3.63 0.46 12.44 0.02 -1.26 -4.91 135.00 143.77 1mct s PRO 111 Ca -0.13 2.19 -0.22 0.00 0.02 0.00 0.00 61.00 62.86 1mct s PRO 111 Cb -0.09 -2.54 -0.08 0.00 0.02 0.00 0.00 34.50 31.81 1mct s PRO 111 CO -0.01 -0.78 1.09 0.00 -0.33 0.00 0.00 177.00 176.97 1mct s ALA 112 N -1.30 2.94 -0.43 -1.55 0.00 0.71 -5.01 121.76 117.12 1mct s ALA 112 Ca 0.63 0.76 -0.27 0.00 0.00 0.00 0.00 51.96 53.08 1mct s ALA 112 Cb -0.39 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.45 1mct s ALA 112 CO 0.48 -0.45 1.01 0.99 0.00 0.00 0.00 175.76 177.79 1mct s THR 113 N -1.73 4.42 -0.02 0.00 2.01 -1.26 -4.86 115.64 114.19 1mct s THR 113 Ca 0.64 1.10 -0.29 0.00 0.31 0.00 0.00 61.69 63.44 1mct s THR 113 Cb -0.23 -4.46 -0.03 0.00 0.01 0.00 0.00 72.50 67.79 1mct s THR 113 CO 0.27 -0.79 0.96 -0.76 -0.69 0.00 0.00 174.62 173.61 1mct s LEU 114 N 3.90 4.35 0.00 4.42 1.02 -1.26 -4.71 118.68 126.40 1mct s LEU 114 Ca 0.42 1.60 0.00 0.00 0.02 0.00 0.00 54.13 56.16 1mct s LEU 114 Cb -0.10 -3.52 0.00 0.00 0.02 0.00 0.00 46.19 42.59 1mct s LEU 114 CO 0.25 -0.27 0.00 -0.46 0.02 0.00 0.00 176.35 175.89 1mct n ASN 115 N 4.04 0.00 0.33 2.29 0.23 -0.04 -4.97 115.26 117.14 1mct n ASN 115 Ca 0.06 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.98 1mct n ASN 115 Cb 0.51 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.15 1mct n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1mct h SER 116 N 0.00 -0.72 0.96 0.53 4.64 -2.02 -3.30 113.55 113.65 1mct h SER 116 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1mct h SER 116 Cb 0.00 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1mct h SER 116 CO 0.00 -0.46 0.00 0.03 -0.87 0.00 0.00 176.83 175.53 1mct h ARG 117 N -0.96 0.00 -4.75 4.77 2.47 -1.95 -3.43 114.38 110.54 1mct h ARG 117 Ca -0.09 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.03 1mct h ARG 117 Cb 0.65 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 28.62 1mct h ARG 117 CO 0.14 0.00 -0.84 0.08 0.56 0.00 0.00 179.97 179.92 1mct s VAL 118 N -3.50 1.58 0.15 2.04 1.01 -1.24 -4.48 120.40 115.95 1mct s VAL 118 Ca 0.03 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 1mct s VAL 118 Cb 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1mct s VAL 118 CO 0.49 0.46 0.30 0.00 0.00 0.00 0.00 175.10 176.35 1mct s ALA 119 N 1.20 -0.22 0.29 5.51 0.00 -0.91 -0.86 121.76 126.78 1mct s ALA 119 Ca -0.01 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1mct s ALA 119 Cb -0.14 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 1mct s ALA 119 CO -0.06 -0.63 0.44 0.95 0.00 0.00 0.00 175.76 176.46 1mct s THR 120 N -3.92 5.07 0.04 0.00 -4.23 -1.26 -2.99 115.64 108.36 1mct s THR 120 Ca 0.13 -0.79 0.06 0.00 -1.18 0.00 0.00 61.69 59.90 1mct s THR 120 Cb 0.03 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 1mct s THR 120 CO -0.04 -0.40 -0.13 0.54 -0.54 0.00 0.00 174.62 174.06 1mct s VAL 121 N -2.13 3.19 0.39 2.29 0.11 -0.67 -4.88 120.40 118.70 1mct s VAL 121 Ca 0.37 -1.08 -0.25 0.00 -2.93 0.00 0.00 61.98 58.10 1mct s VAL 121 Cb -0.09 -2.40 -0.09 0.00 -1.53 0.00 0.00 36.38 32.27 1mct s VAL 121 CO 0.32 0.30 1.06 -0.44 -3.33 0.00 0.00 175.10 173.01 1mct s SER 122 N -1.61 6.79 0.50 3.54 0.01 -1.26 -4.55 113.70 117.12 1mct s SER 122 Ca 0.17 2.08 -0.19 0.00 1.31 0.00 0.00 55.95 59.32 1mct s SER 122 Cb -0.11 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.45 1mct s SER 122 CO 0.08 -0.47 1.02 -0.76 0.41 0.00 0.00 173.24 173.53 1mct s LEU 123 N -2.51 3.77 0.37 2.44 1.43 -1.26 -0.58 118.68 122.35 1mct s LEU 123 Ca 0.56 1.84 -0.27 0.00 -1.03 0.00 0.00 54.13 55.23 1mct s LEU 123 Cb -0.24 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.34 1mct s LEU 123 CO 0.30 -0.77 1.31 -2.16 0.23 0.00 0.00 176.35 175.25 1mct s PRO 124 N -3.46 4.16 0.02 1.29 0.04 -1.26 -4.73 135.00 131.08 1mct s PRO 124 Ca 0.65 2.19 0.24 0.00 0.04 0.00 0.00 61.00 64.12 1mct s PRO 124 Cb -0.15 -2.91 0.22 0.00 0.04 0.00 0.00 34.50 31.70 1mct s PRO 124 CO 0.23 -0.34 1.19 2.89 0.04 0.00 0.00 177.00 181.01 1mct n ARG 125 N 0.46 0.11 -3.49 4.56 1.85 -1.26 -4.95 116.66 113.94 1mct n ARG 125 Ca 0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.77 1mct n ARG 125 Cb 0.43 -1.54 -0.02 0.00 -1.05 0.00 0.00 32.46 30.27 1mct n ARG 125 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1mct s SER 127 N -3.37 -0.47 0.54 2.89 1.04 -1.26 -5.16 113.70 107.91 1mct s SER 127 Ca 0.08 -0.07 -0.19 0.00 0.48 0.00 0.00 55.95 56.26 1mct s SER 127 Cb 0.16 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.76 1mct s SER 127 CO 0.76 -0.90 1.07 0.00 0.98 0.00 0.00 173.24 175.16 1mct s ALA 129 N -2.05 3.23 0.41 0.00 0.00 -1.26 -5.05 121.76 117.04 1mct s ALA 129 Ca 0.68 0.61 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 1mct s ALA 129 Cb -0.19 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1mct s ALA 129 CO 0.27 0.08 0.86 0.00 0.00 0.00 0.00 175.76 176.97 1mct s ALA 130 N -1.51 3.20 0.29 0.00 0.00 -1.26 -5.01 121.76 117.47 1mct s ALA 130 Ca 0.49 0.10 -0.28 0.00 0.00 0.00 0.00 51.96 52.28 1mct s ALA 130 Cb -0.22 -2.93 -0.14 0.00 0.00 0.00 0.00 23.12 19.83 1mct s ALA 130 CO 0.27 0.06 1.09 0.00 0.00 0.00 0.00 175.76 177.19 1mct n ALA 132 N -0.95 0.10 0.00 0.00 0.00 -1.26 -2.04 120.51 116.36 1mct n ALA 132 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1mct n ALA 132 Cb 0.54 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1mct n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mct n GLY 133 N 1.20 2.61 3.74 0.00 0.00 0.84 -4.96 105.19 108.62 1mct n GLY 133 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1mct n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mct s THR 134 N -2.45 2.18 0.05 2.61 2.01 -0.86 -4.67 115.64 114.50 1mct s THR 134 Ca 0.00 0.15 -0.23 0.00 0.31 0.00 0.00 61.69 61.92 1mct s THR 134 Cb 0.00 -3.09 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 1mct s THR 134 CO 0.00 0.02 0.68 -0.70 -0.69 0.00 0.00 174.62 173.93 1mct s GLU 135 N -0.05 4.41 0.30 4.92 2.12 -1.26 -1.20 118.70 127.94 1mct s GLU 135 Ca 0.65 0.92 0.04 0.00 0.36 0.00 0.00 54.97 56.95 1mct s GLU 135 Cb -0.47 -3.33 -0.06 0.00 0.26 0.00 0.00 34.13 30.53 1mct s GLU 135 CO 0.43 0.40 0.03 0.00 -0.54 0.00 0.00 175.26 175.57 1mct s LEU 137 N -3.44 2.36 -0.00 0.00 2.96 0.07 -1.44 118.68 119.19 1mct s LEU 137 Ca 0.34 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 1mct s LEU 137 Cb 0.07 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 1mct s LEU 137 CO 0.14 0.05 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.43 1mct s ILE 138 N 1.04 3.00 0.04 6.68 1.01 0.40 -1.23 121.20 132.13 1mct s ILE 138 Ca -0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 1mct s ILE 138 Cb -0.15 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1mct s ILE 138 CO -0.05 0.46 0.18 -0.94 0.00 0.00 0.00 174.94 174.59 1mct s SER 139 N -1.11 0.06 0.00 3.58 1.04 -1.22 -0.67 113.70 115.38 1mct s SER 139 Ca 0.14 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1mct s SER 139 Cb -0.11 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1mct s SER 139 CO 0.03 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1mct n GLY 140 N 0.71 0.79 1.64 7.32 0.00 -0.52 -4.39 105.19 110.74 1mct n GLY 140 Ca -0.19 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 44.84 1mct n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mct n TRP 141 N -0.42 1.94 -1.51 1.61 8.01 -1.26 -1.57 117.44 124.24 1mct n TRP 141 Ca 0.00 -1.19 -0.18 0.00 -1.31 0.00 0.00 57.50 54.81 1mct n TRP 141 Cb 0.00 -0.58 0.13 0.00 -2.01 0.00 0.00 31.31 28.85 1mct n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1mct n GLY 142 N -0.38 -1.48 3.71 6.99 0.00 -1.25 -4.45 105.19 108.33 1mct n GLY 142 Ca 0.36 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 1mct n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mct n ASN 143 N -3.59 3.26 -0.81 1.61 5.15 0.45 -2.92 115.26 118.41 1mct n ASN 143 Ca 0.10 1.16 0.12 0.00 -0.60 0.00 0.00 54.58 55.36 1mct n ASN 143 Cb 0.36 -1.51 0.08 0.00 -0.53 0.00 0.00 39.78 38.17 1mct n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1mct n THR 144 N 1.74 0.00 -4.72 -0.44 -2.24 -0.20 -1.06 114.28 107.36 1mct n THR 144 Ca 0.09 -0.42 -0.33 0.00 -2.27 0.00 0.00 64.05 61.11 1mct n THR 144 Cb 0.35 1.41 -0.12 0.00 -2.10 0.00 0.00 70.33 69.86 1mct n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1mct s LYS 145 N -2.14 2.75 0.06 -0.78 1.02 -1.26 -4.29 119.74 115.11 1mct s LYS 145 Ca 0.25 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.53 1mct s LYS 145 Cb 0.19 -2.54 -0.28 0.00 -0.52 0.00 0.00 37.83 34.68 1mct s LYS 145 CO 0.38 0.60 1.11 0.66 -0.92 0.00 0.00 175.35 177.18 1mct h SER 146 N 5.46 0.71 -3.17 2.83 4.64 -1.92 -3.42 113.55 118.67 1mct h SER 146 Ca -0.45 -0.70 -0.67 0.00 -0.47 0.00 0.00 61.79 59.49 1mct h SER 146 Cb 1.17 -0.23 -0.34 0.00 -0.31 0.00 0.00 62.40 62.69 1mct h SER 146 CO 0.52 1.53 -0.86 -0.44 -0.87 0.00 0.00 176.83 176.71 1mct s SER 147 N -7.36 3.15 0.00 4.97 0.01 -1.26 -4.76 113.70 108.44 1mct s SER 147 Ca -0.07 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1mct s SER 147 Cb 0.06 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1mct s SER 147 CO 0.92 0.06 0.00 0.61 0.41 0.00 0.00 173.24 175.24 1mct n GLY 148 N 4.21 -1.75 2.80 3.44 0.00 -1.26 -4.99 105.19 107.64 1mct n GLY 148 Ca -0.20 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 1mct n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mct s SER 149 N -4.00 0.15 -0.12 1.61 1.04 -1.26 -4.66 113.70 106.46 1mct s SER 149 Ca 0.00 0.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.40 1mct s SER 149 Cb 0.00 -0.09 0.06 0.00 0.10 0.00 0.00 66.02 66.09 1mct s SER 149 CO 0.00 -0.09 0.24 -0.55 0.98 0.00 0.00 173.24 173.81 1mct s SER 150 N 0.84 0.42 -0.28 7.02 0.15 -1.26 -4.94 113.70 115.64 1mct s SER 150 Ca -0.07 0.53 -0.05 0.00 0.70 0.00 0.00 55.95 57.05 1mct s SER 150 Cb -0.11 0.59 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 1mct s SER 150 CO -0.02 -0.24 0.04 -0.31 1.20 0.00 0.00 173.24 173.91 1mct s TYR 151 N 2.33 3.12 0.44 3.44 2.02 -1.26 -1.03 117.35 126.42 1mct s TYR 151 Ca 0.01 -1.11 -0.21 0.00 -0.37 0.00 0.00 57.07 55.39 1mct s TYR 151 Cb -0.12 -2.20 -0.10 0.00 -0.40 0.00 0.00 41.96 39.14 1mct s TYR 151 CO -0.08 -0.61 0.99 -1.25 -1.57 0.00 0.00 175.55 173.04 1mct s PRO 152 N 1.46 4.07 0.11 -1.71 0.04 -1.26 -4.99 135.00 132.72 1mct s PRO 152 Ca 0.02 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 1mct s PRO 152 Cb -0.17 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 1mct s PRO 152 CO 0.01 -0.18 1.43 0.77 0.04 0.00 0.00 177.00 179.06 1mct h SER 153 N 1.89 0.80 -3.08 6.66 0.02 -1.94 -3.46 113.55 114.43 1mct h SER 153 Ca -0.49 -0.48 -0.60 0.00 -0.84 0.00 0.00 61.79 59.39 1mct h SER 153 Cb 1.20 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.46 1mct h SER 153 CO 0.61 1.12 -0.21 -0.76 -1.14 0.00 0.00 176.83 176.44 1mct s LEU 154 N -8.94 4.41 0.21 5.07 2.01 -1.26 -1.20 118.68 118.98 1mct s LEU 154 Ca -0.12 0.91 -0.32 0.00 0.01 0.00 0.00 54.13 54.60 1mct s LEU 154 Cb 0.09 -2.82 -0.14 0.00 0.01 0.00 0.00 46.19 43.34 1mct s LEU 154 CO 0.84 0.24 1.48 -0.11 1.01 0.00 0.00 176.35 179.81 1mct n LEU 155 N 1.34 3.10 -4.73 1.79 7.94 -0.74 -4.88 117.00 120.82 1mct n LEU 155 Ca -0.11 1.12 -0.31 0.00 -1.11 0.00 0.00 56.01 55.60 1mct n LEU 155 Cb 0.52 -1.43 -0.08 0.00 0.53 0.00 0.00 43.42 42.97 1mct n LEU 155 CO 0.40 -0.41 -0.30 -1.10 -1.11 0.00 0.00 177.39 174.87 1mct s GLN 156 N 0.13 2.80 0.14 1.96 -1.52 -0.61 -1.34 119.66 121.22 1mct s GLN 156 Ca 0.73 -0.67 0.09 0.00 -1.95 0.00 0.00 55.36 53.56 1mct s GLN 156 Cb -0.66 -2.68 -0.04 0.00 -0.22 0.00 0.00 33.01 29.40 1mct s GLN 156 CO 0.45 0.59 -0.21 0.00 -0.25 0.00 0.00 175.29 175.87 1mct s LEU 158 N -2.32 0.07 -0.20 0.00 2.96 0.16 -0.97 118.68 118.38 1mct s LEU 158 Ca 0.12 0.80 -0.13 0.00 -0.22 0.00 0.00 54.13 54.70 1mct s LEU 158 Cb -0.08 1.20 -0.05 0.00 0.50 0.00 0.00 46.19 47.77 1mct s LEU 158 CO 0.06 -0.18 0.26 -0.54 -1.32 0.00 0.00 176.35 174.63 1mct s LYS 159 N 1.28 4.18 -0.06 1.98 1.02 -1.26 -0.45 119.74 126.42 1mct s LYS 159 Ca -0.09 -0.02 -0.20 0.00 0.02 0.00 0.00 55.97 55.68 1mct s LYS 159 Cb -0.08 -3.49 0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1mct s LYS 159 CO -0.11 0.12 0.46 0.00 -0.92 0.00 0.00 175.35 174.90 1mct s ALA 160 N 0.85 -1.17 0.28 5.17 0.00 -0.52 -4.95 121.76 121.42 1mct s ALA 160 Ca 0.13 0.83 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 1mct s ALA 160 Cb -0.13 -0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.82 1mct s ALA 160 CO 0.04 -0.29 0.58 -1.25 0.00 0.00 0.00 175.76 174.84 1mct s PRO 161 N -0.99 3.72 0.09 0.00 0.04 -1.26 -0.16 135.00 136.43 1mct s PRO 161 Ca -0.10 0.18 -0.31 0.00 0.04 0.00 0.00 61.00 60.81 1mct s PRO 161 Cb -0.03 -2.61 -0.08 0.00 0.04 0.00 0.00 34.50 31.82 1mct s PRO 161 CO 0.05 0.22 1.49 0.08 0.04 0.00 0.00 177.00 178.89 1mct s VAL 162 N -2.01 3.19 0.44 -0.36 1.01 -0.34 -1.58 120.40 120.75 1mct s VAL 162 Ca 0.46 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 63.15 1mct s VAL 162 Cb -0.11 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1mct s VAL 162 CO 0.26 0.03 0.75 -0.76 0.00 0.00 0.00 175.10 175.38 1mct s LEU 163 N 1.77 3.72 0.64 3.92 1.43 -0.28 -0.11 118.68 129.77 1mct s LEU 163 Ca 0.68 0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 54.51 1mct s LEU 163 Cb -0.38 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.00 1mct s LEU 163 CO 0.30 -0.50 1.17 -0.94 0.23 0.00 0.00 176.35 176.62 1mct s SER 164 N -3.89 4.94 0.28 2.29 1.04 -1.26 -4.67 113.70 112.43 1mct s SER 164 Ca 0.47 2.26 -0.00 0.00 0.48 0.00 0.00 55.95 59.16 1mct s SER 164 Cb -0.10 -2.58 0.49 0.00 0.10 0.00 0.00 66.02 63.93 1mct s SER 164 CO 0.41 -1.76 1.87 -1.13 0.98 0.00 0.00 173.24 173.61 1mct h ASN 165 N 0.37 0.97 -0.33 7.02 -1.24 -1.97 -1.33 115.58 119.07 1mct h ASN 165 Ca -0.49 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 56.50 1mct h ASN 165 Cb 1.28 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.14 1mct h ASN 165 CO 0.53 0.58 0.02 0.77 -1.29 0.00 0.00 177.43 178.05 1mct h SER 166 N 1.08 0.55 -0.73 1.15 4.64 -1.99 -1.27 113.55 116.99 1mct h SER 166 Ca 0.45 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1mct h SER 166 Cb 0.30 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 1mct h SER 166 CO -0.20 0.71 0.41 0.28 -0.87 0.00 0.00 176.83 177.16 1mct h SER 167 N 0.38 0.91 -0.16 4.97 0.02 -1.81 -0.81 113.55 117.05 1mct h SER 167 Ca 0.10 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1mct h SER 167 Cb 0.41 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1mct h SER 167 CO 0.01 0.73 0.02 0.00 -1.14 0.00 0.00 176.83 176.45 1mct h LYS 169 N 0.04 0.46 0.00 0.00 1.57 -0.98 -1.84 116.57 115.82 1mct h LYS 169 Ca 0.05 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 1mct h LYS 169 Cb 0.33 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1mct h LYS 169 CO 0.00 0.76 -0.35 0.66 -0.57 0.00 0.00 179.45 179.95 1mct h SER 170 N 0.39 0.00 0.67 0.86 4.64 -1.09 -2.58 113.55 116.43 1mct h SER 170 Ca 0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 1mct h SER 170 Cb 0.82 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 1mct h SER 170 CO 0.07 0.35 -0.61 0.28 -0.87 0.00 0.00 176.83 176.05 1mct h SER 171 N 0.00 0.00 -2.13 4.97 0.02 -0.41 -3.37 113.55 112.64 1mct h SER 171 Ca -0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.37 1mct h SER 171 Cb 0.96 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.11 1mct h SER 171 CO 0.05 0.61 -0.98 -1.22 -1.14 0.00 0.00 176.83 174.15 1mct n TYR 172 N -3.75 0.37 -1.65 3.45 4.01 -0.85 -4.86 117.16 113.88 1mct n TYR 172 Ca -0.01 -3.65 -0.55 0.00 -0.16 0.00 0.00 57.90 53.53 1mct n TYR 172 Cb 0.62 -0.30 -0.07 0.00 -0.31 0.00 0.00 39.34 39.28 1mct n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1mct n PRO 173 N 1.55 1.15 -1.04 -0.72 -0.02 -0.99 -1.90 135.00 133.02 1mct n PRO 173 Ca 0.24 0.42 -0.01 0.00 -2.02 0.00 0.00 63.50 62.12 1mct n PRO 173 Cb 0.50 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 1mct n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mct n GLY 174 N 3.39 0.37 0.00 -1.23 0.00 -1.26 -4.85 105.19 101.61 1mct n GLY 174 Ca 0.23 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.19 1mct n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mct n GLN 175 N -1.11 4.68 -3.35 1.61 6.02 -0.80 -4.99 117.38 119.44 1mct n GLN 175 Ca -0.01 -0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.57 1mct n GLN 175 Cb 0.28 -0.74 -0.09 0.00 1.02 0.00 0.00 30.24 30.71 1mct n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1mct s ILE 176 N -1.49 5.13 0.68 5.09 -1.09 -1.25 -5.04 121.20 123.23 1mct s ILE 176 Ca 0.01 0.41 -0.02 0.00 -2.23 0.00 0.00 60.65 58.81 1mct s ILE 176 Cb 0.02 -3.80 0.14 0.00 -1.58 0.00 0.00 42.46 37.24 1mct s ILE 176 CO 0.12 0.01 0.93 0.35 -1.23 0.00 0.00 174.94 175.12 1mct n THR 177 N 5.22 0.00 0.92 2.92 -2.24 -1.26 -4.96 114.28 114.88 1mct n THR 177 Ca -0.07 -1.31 0.10 0.00 -2.27 0.00 0.00 64.05 60.50 1mct n THR 177 Cb 0.50 -1.05 0.49 0.00 -2.10 0.00 0.00 70.33 68.17 1mct n THR 177 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mct n GLY 178 N -1.90 -0.94 1.76 3.38 0.00 -1.26 -2.44 105.19 103.78 1mct n GLY 178 Ca 0.15 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1mct n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mct n ASN 179 N -1.29 5.42 -4.02 1.61 3.02 -1.26 -4.93 115.26 113.81 1mct n ASN 179 Ca 0.09 -2.83 -0.16 0.00 -0.03 0.00 0.00 54.58 51.65 1mct n ASN 179 Cb 0.16 -0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 38.54 1mct n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1mct s MET 180 N -2.56 0.57 0.10 3.52 -1.94 -1.02 -0.89 119.30 117.08 1mct s MET 180 Ca 0.53 -0.42 0.07 0.00 -1.71 0.00 0.00 55.69 54.16 1mct s MET 180 Cb 0.39 -0.50 -0.03 0.00 2.01 0.00 0.00 34.83 36.70 1mct s MET 180 CO 0.18 0.13 -0.17 0.96 -0.01 0.00 0.00 175.02 176.10 1mct s ILE 181 N -0.53 1.46 -0.15 2.53 -4.36 -0.04 -4.80 121.20 115.31 1mct s ILE 181 Ca -0.01 -1.54 -0.08 0.00 -0.26 0.00 0.00 60.65 58.77 1mct s ILE 181 Cb -0.05 -1.42 -0.04 0.00 1.25 0.00 0.00 42.46 42.19 1mct s ILE 181 CO 0.00 -0.21 0.11 0.00 0.24 0.00 0.00 174.94 175.09 1mct s VAL 183 N -0.35 0.64 -2.47 0.00 1.01 -0.88 -1.12 120.40 117.23 1mct s VAL 183 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1mct s VAL 183 Cb -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1mct s VAL 183 CO 0.01 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1mct n GLY 184 N 3.90 0.11 2.86 4.51 0.00 -0.62 -3.33 105.19 112.62 1mct n GLY 184 Ca -0.24 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 1mct n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mct s PHE 184 N -4.00 0.75 0.33 1.61 0.08 -1.26 -4.24 117.98 111.25 1mct s PHE 184 Ca 0.00 -0.21 0.32 0.00 0.12 0.00 0.00 56.93 57.15 1mct s PHE 184 Cb 0.00 -0.72 1.53 0.00 -0.57 0.00 0.00 43.02 43.26 1mct s PHE 184 CO 0.00 -0.24 2.07 -0.07 -0.10 0.00 0.00 175.22 176.88 1mct h LEU 185 N 7.56 0.00 -0.53 -0.37 3.38 -1.96 -1.43 115.31 121.95 1mct h LEU 185 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1mct h LEU 185 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1mct h LEU 185 CO 0.41 0.08 0.00 1.56 0.09 0.00 0.00 178.44 180.58 1mct h GLN 186 N 0.00 0.00 0.00 1.13 7.50 -1.95 0.35 115.11 122.14 1mct h GLN 186 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1mct h GLN 186 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.91 1mct h GLN 186 CO 0.01 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.75 1mct n GLY 187 N 0.54 -1.62 2.57 3.46 0.00 -0.54 -4.34 105.19 105.26 1mct n GLY 187 Ca 0.03 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1mct n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mct n GLY 188 N 0.00 3.11 2.81 -0.02 0.00 -0.16 -4.87 105.19 106.06 1mct n GLY 188 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1mct n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mct s LYS 188 N -0.31 0.55 0.01 1.61 1.02 -1.26 -3.96 119.74 117.41 1mct s LYS 188 Ca 0.00 0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 1mct s LYS 188 Cb 0.00 -0.79 0.10 0.00 -0.52 0.00 0.00 37.83 36.63 1mct s LYS 188 CO 0.00 -0.20 1.12 0.34 -0.92 0.00 0.00 175.35 175.68 1mct s ASP 189 N 1.45 -0.15 0.81 2.83 2.15 -0.66 -4.45 116.67 118.65 1mct s ASP 189 Ca -0.03 -0.18 -0.11 0.00 0.43 0.00 0.00 52.55 52.65 1mct s ASP 189 Cb -0.13 0.30 0.09 0.00 -0.30 0.00 0.00 42.92 42.87 1mct s ASP 189 CO -0.03 -0.53 1.17 -0.94 -0.17 0.00 0.00 175.17 174.67 1mct s SER 190 N -2.78 4.41 0.21 -0.34 1.04 -1.26 -0.39 113.70 114.59 1mct s SER 190 Ca 0.12 0.67 -0.05 0.00 0.48 0.00 0.00 55.95 57.16 1mct s SER 190 Cb 0.01 -1.14 0.02 0.00 0.10 0.00 0.00 66.02 65.02 1mct s SER 190 CO -0.03 -1.95 0.37 0.00 0.98 0.00 0.00 173.24 172.62 1mct n GLN 192 N -0.31 2.27 0.00 0.00 3.00 -1.26 -1.30 117.38 119.79 1mct n GLN 192 Ca -0.03 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.78 1mct n GLN 192 Cb 0.33 -2.58 0.00 0.00 0.00 0.00 0.00 30.24 27.99 1mct n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1mct n GLY 193 N 3.18 1.23 0.07 1.08 0.00 -1.26 -0.41 105.19 109.08 1mct n GLY 193 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1mct n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mct n ASP 194 N 0.00 0.72 -4.50 1.61 8.00 -0.42 -3.89 116.55 118.07 1mct n ASP 194 Ca 0.00 0.10 -0.49 0.00 0.71 0.00 0.00 54.79 55.11 1mct n ASP 194 Cb 0.00 0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 1mct n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1mct n SER 195 N -2.22 0.11 0.00 -2.24 7.64 -1.26 -1.86 113.62 113.79 1mct n SER 195 Ca 0.02 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1mct n SER 195 Cb 0.47 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1mct n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mct n GLY 196 N 1.77 2.49 3.77 0.23 0.00 0.04 -0.24 105.19 113.23 1mct n GLY 196 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1mct n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mct s GLY 197 N -1.93 1.58 0.33 -0.02 0.00 -0.78 -3.22 107.32 103.28 1mct s GLY 197 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 44.72 43.94 1mct s GLY 197 CO 0.00 0.05 0.94 2.56 0.00 0.00 0.00 173.10 176.65 1mct s PRO 198 N -5.25 4.55 -0.23 2.90 0.04 -1.26 -1.35 135.00 134.40 1mct s PRO 198 Ca 0.64 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1mct s PRO 198 Cb -0.15 -2.76 0.05 0.00 0.04 0.00 0.00 34.50 31.69 1mct s PRO 198 CO 0.54 0.26 -0.08 0.08 0.04 0.00 0.00 177.00 177.84 1mct s VAL 199 N -1.66 1.72 -0.17 -0.36 1.01 -0.43 -3.40 120.40 117.11 1mct s VAL 199 Ca 0.51 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1mct s VAL 199 Cb -0.18 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1mct s VAL 199 CO 0.23 0.00 -0.12 -0.69 0.00 0.00 0.00 175.10 174.52 1mct s VAL 200 N 1.33 2.90 -0.11 2.92 1.01 -0.37 -0.86 120.40 127.23 1mct s VAL 200 Ca -0.05 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1mct s VAL 200 Cb -0.18 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 33.96 1mct s VAL 200 CO -0.07 0.49 -0.11 0.00 0.00 0.00 0.00 175.10 175.41 1mct n ASN 202 N 4.47 -5.20 -0.06 0.00 3.02 -1.26 -1.27 115.26 114.96 1mct n ASN 202 Ca -0.17 -0.55 -0.01 0.00 -0.03 0.00 0.00 54.58 53.82 1mct n ASN 202 Cb 0.51 -4.17 -0.00 0.00 -0.61 0.00 0.00 39.78 35.51 1mct n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mct n GLY 203 N -1.61 0.40 3.32 7.41 0.00 -1.26 -5.02 105.19 108.43 1mct n GLY 203 Ca -0.01 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1mct n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mct s GLN 204 N -0.89 1.60 -0.55 1.61 -0.21 -0.40 -4.10 119.66 116.72 1mct s GLN 204 Ca 0.00 -1.10 -0.28 0.00 0.02 0.00 0.00 55.36 54.01 1mct s GLN 204 Cb 0.00 -1.81 0.01 0.00 1.00 0.00 0.00 33.01 32.21 1mct s GLN 204 CO 0.00 0.46 1.48 -1.17 -2.12 0.00 0.00 175.29 173.94 1mct s LEU 209 N -1.36 3.40 -0.03 2.90 2.96 0.26 -0.73 118.68 126.08 1mct s LEU 209 Ca 0.11 0.36 0.20 0.00 -0.22 0.00 0.00 54.13 54.57 1mct s LEU 209 Cb -0.10 -3.03 -0.31 0.00 0.50 0.00 0.00 46.19 43.25 1mct s LEU 209 CO 0.03 -1.77 0.44 0.00 -1.32 0.00 0.00 176.35 173.72 1mct n GLN 210 N 8.70 0.61 -3.81 1.98 1.13 -0.04 -4.00 117.38 121.95 1mct n GLN 210 Ca 0.14 -0.18 -0.09 0.00 -1.94 0.00 0.00 57.00 54.92 1mct n GLN 210 Cb 0.49 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 29.29 1mct n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1mct s GLY 211 N -4.34 0.01 -0.08 1.08 0.00 -1.02 -1.79 107.32 101.17 1mct s GLY 211 Ca -0.07 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.20 1mct s GLY 211 CO 0.84 -0.67 -0.18 -0.42 0.00 0.00 0.00 173.10 172.67 1mct s ILE 212 N -3.75 1.58 0.08 0.90 1.01 -1.05 -1.32 121.20 118.65 1mct s ILE 212 Ca 0.04 -0.73 -0.32 0.00 0.00 0.00 0.00 60.65 59.63 1mct s ILE 212 Cb 0.04 -1.40 -0.11 0.00 0.01 0.00 0.00 42.46 41.00 1mct s ILE 212 CO -0.11 0.45 1.81 0.52 0.00 0.00 0.00 174.94 177.62 1mct n VAL 213 N 3.72 0.37 0.03 2.92 0.31 -0.46 -1.44 118.33 123.78 1mct n VAL 213 Ca -0.21 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1mct n VAL 213 Cb 0.52 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1mct n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1mct n SER 214 N 5.57 0.26 -2.87 4.52 2.88 -1.06 -0.78 113.62 122.14 1mct n SER 214 Ca 0.19 0.09 -0.09 0.00 -1.33 0.00 0.00 58.87 57.72 1mct n SER 214 Cb 0.34 -0.04 0.02 0.00 -0.75 0.00 0.00 64.21 63.78 1mct n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1mct s TRP 215 N -1.35 0.23 -0.35 0.66 1.48 -0.82 -4.89 118.94 113.90 1mct s TRP 215 Ca 0.00 -0.89 0.00 0.00 -1.06 0.00 0.00 56.10 54.15 1mct s TRP 215 Cb 0.00 0.77 0.00 0.00 -1.16 0.00 0.00 33.47 33.08 1mct s TRP 215 CO 0.00 -1.57 0.00 0.41 -4.06 0.00 0.00 176.95 171.73 1mct n GLY 216 N -0.54 -1.22 3.49 3.67 0.00 -1.26 -1.04 105.19 108.28 1mct n GLY 216 Ca -0.08 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 1mct n GLY 216 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mct s TYR 217 N -2.12 3.22 0.00 1.61 1.51 -1.26 -4.97 117.35 115.33 1mct s TYR 217 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1mct s TYR 217 Cb 0.00 -2.46 0.00 0.00 -0.11 0.00 0.00 41.96 39.39 1mct s TYR 217 CO 0.00 -0.43 0.00 0.41 -1.11 0.00 0.00 175.55 174.42 1mct n GLY 219 N 5.07 0.86 2.96 0.71 0.00 -1.26 -4.66 105.19 108.87 1mct n GLY 219 Ca -0.13 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1mct n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mct n ALA 221 N 3.36 -0.47 -1.83 0.00 0.00 -1.26 -4.70 120.51 115.60 1mct n ALA 221 Ca -0.16 0.23 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 1mct n ALA 221 Cb 0.57 -1.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 1mct n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1mct s GLN 221 N -4.32 4.22 0.25 0.00 -0.21 -1.26 -0.98 119.66 117.36 1mct s GLN 221 Ca 0.00 1.10 -0.31 0.00 0.02 0.00 0.00 55.36 56.17 1mct s GLN 221 Cb 0.00 -2.19 -0.12 0.00 1.00 0.00 0.00 33.01 31.70 1mct s GLN 221 CO 0.00 -0.02 1.60 1.17 -2.12 0.00 0.00 175.29 175.92 1mct n LYS 222 N -0.63 2.58 -1.46 2.91 3.00 -1.26 -2.24 118.16 121.06 1mct n LYS 222 Ca 0.07 0.92 -0.16 0.00 -0.00 0.00 0.00 58.31 59.14 1mct n LYS 222 Cb 0.54 -2.70 -0.07 0.00 0.00 0.00 0.00 35.03 32.80 1mct n LYS 222 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1mct n ASN 223 N 2.71 -5.53 -3.38 3.14 3.02 0.12 -4.90 115.26 110.44 1mct n ASN 223 Ca 0.11 0.39 -0.26 0.00 -0.03 0.00 0.00 54.58 54.80 1mct n ASN 223 Cb 0.35 -4.42 -0.08 0.00 -0.61 0.00 0.00 39.78 35.01 1mct n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1mct n LYS 224 N -1.71 1.35 -1.22 3.52 4.76 -0.95 -4.73 118.16 119.18 1mct n LYS 224 Ca -0.16 -3.83 -0.31 0.00 -2.87 0.00 0.00 58.31 51.15 1mct n LYS 224 Cb 0.62 -1.74 0.10 0.00 -1.84 0.00 0.00 35.03 32.18 1mct n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1mct s PRO 225 N -1.45 1.99 0.57 1.97 0.04 -1.26 -4.25 135.00 132.60 1mct s PRO 225 Ca 0.35 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 62.31 1mct s PRO 225 Cb 0.12 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1mct s PRO 225 CO -0.10 -1.81 1.21 0.20 0.04 0.00 0.00 177.00 176.54 1mct s GLY 226 N -3.37 2.76 -0.09 0.56 0.00 -1.21 -4.76 107.32 101.21 1mct s GLY 226 Ca 0.62 1.02 0.02 0.00 0.00 0.00 0.00 44.72 46.38 1mct s GLY 226 CO 0.56 1.43 -0.13 0.14 0.00 0.00 0.00 173.10 175.10 1mct s VAL 227 N -1.57 3.11 0.04 1.40 1.01 -0.21 -2.08 120.40 122.11 1mct s VAL 227 Ca 0.75 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1mct s VAL 227 Cb -0.31 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1mct s VAL 227 CO 0.34 0.56 -0.12 -0.31 0.00 0.00 0.00 175.10 175.57 1mct s TYR 228 N -0.26 1.07 0.18 5.22 1.51 0.47 -1.94 117.35 123.60 1mct s TYR 228 Ca 0.02 -0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 55.40 1mct s TYR 228 Cb -0.13 -0.63 -0.09 0.00 -0.11 0.00 0.00 41.96 41.00 1mct s TYR 228 CO 0.03 0.01 1.43 0.99 -1.11 0.00 0.00 175.55 176.90 1mct s THR 229 N -0.95 2.94 -0.84 -0.71 2.01 -0.52 -0.86 115.64 116.72 1mct s THR 229 Ca -0.01 0.73 -0.23 0.00 0.31 0.00 0.00 61.69 62.49 1mct s THR 229 Cb -0.08 -3.47 0.07 0.00 0.01 0.00 0.00 72.50 69.03 1mct s THR 229 CO 0.01 0.08 1.21 -0.75 -0.69 0.00 0.00 174.62 174.49 1mct s LYS 230 N 0.43 3.38 0.48 4.92 2.20 -0.07 -2.52 119.74 128.57 1mct s LYS 230 Ca 0.63 -1.00 0.15 0.00 -0.36 0.00 0.00 55.97 55.39 1mct s LYS 230 Cb -0.40 -4.70 1.14 0.00 -1.51 0.00 0.00 37.83 32.36 1mct s LYS 230 CO 0.36 -2.00 2.08 0.28 -0.36 0.00 0.00 175.35 175.71 1mct h VAL 231 N 6.19 1.06 0.00 4.02 2.07 -1.65 -2.38 116.25 125.57 1mct h VAL 231 Ca -0.04 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1mct h VAL 231 Cb 1.04 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1mct h VAL 231 CO 1.26 0.08 0.00 0.00 0.02 0.00 0.00 177.57 178.93 1mct n ASN 233 N -1.61 0.50 -0.13 0.00 4.13 -0.89 -4.17 115.26 113.09 1mct n ASN 233 Ca 0.02 0.43 0.01 0.00 1.68 0.00 0.00 54.58 56.72 1mct n ASN 233 Cb 0.11 -0.50 0.03 0.00 -1.54 0.00 0.00 39.78 37.88 1mct n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1mct n TYR 234 N -1.93 0.09 -0.28 3.10 4.01 -0.16 -4.75 117.16 117.24 1mct n TYR 234 Ca 0.06 -0.45 -0.03 0.00 -0.16 0.00 0.00 57.90 57.32 1mct n TYR 234 Cb 0.39 -0.04 0.09 0.00 -0.31 0.00 0.00 39.34 39.47 1mct n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1mct h VAL 235 N 0.42 1.13 -0.35 -0.72 2.07 -1.72 0.22 116.25 117.31 1mct h VAL 235 Ca 0.00 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 1mct h VAL 235 Cb 0.50 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1mct h VAL 235 CO 0.00 0.18 -0.33 0.78 0.02 0.00 0.00 177.57 178.21 1mct h ASN 236 N 0.97 0.81 -0.68 0.57 4.21 -1.91 -0.89 115.58 118.65 1mct h ASN 236 Ca 0.30 -0.34 -0.08 0.00 1.21 0.00 0.00 56.30 57.39 1mct h ASN 236 Cb -0.02 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 36.93 1mct h ASN 236 CO -0.10 1.07 0.11 -0.25 -1.29 0.00 0.00 177.43 176.97 1mct h TRP 237 N 0.65 1.19 -0.08 1.19 7.01 -1.72 -0.43 115.95 123.75 1mct h TRP 237 Ca 0.07 -0.16 -0.01 0.00 2.11 0.00 0.00 58.89 60.90 1mct h TRP 237 Cb 0.87 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 27.60 1mct h TRP 237 CO 0.05 0.99 0.02 0.82 -2.79 0.00 0.00 178.44 177.53 1mct h ILE 238 N 1.04 1.18 -0.20 2.65 2.04 -0.73 -0.81 117.51 122.69 1mct h ILE 238 Ca 0.21 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1mct h ILE 238 Cb 0.44 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1mct h ILE 238 CO 0.01 0.16 0.11 1.56 0.00 0.00 0.00 178.15 179.99 1mct h GLN 239 N -0.07 0.28 -0.75 2.37 4.20 -0.86 -0.18 115.11 120.10 1mct h GLN 239 Ca 0.03 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1mct h GLN 239 Cb 0.23 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 1mct h GLN 239 CO -0.00 0.27 0.49 1.96 -0.67 0.00 0.00 178.83 180.89 1mct h GLN 240 N 0.21 0.96 -0.48 1.46 4.20 -1.06 0.82 115.11 121.22 1mct h GLN 240 Ca 0.07 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 1mct h GLN 240 Cb 0.08 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1mct h GLN 240 CO -0.01 0.64 -0.06 1.15 -0.67 0.00 0.00 178.83 179.88 1mct h THR 241 N 0.99 1.27 -0.65 -0.54 2.02 -0.60 -0.25 112.91 115.16 1mct h THR 241 Ca 0.29 -1.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.22 1mct h THR 241 Cb -0.07 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1mct h THR 241 CO -0.08 0.40 0.07 0.40 0.37 0.00 0.00 175.52 176.69 1mct h ILE 242 N 0.73 1.26 0.00 3.11 2.04 -0.70 -2.37 117.51 121.58 1mct h ILE 242 Ca 0.13 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 1mct h ILE 242 Cb 0.59 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1mct h ILE 242 CO 0.04 0.40 -0.20 0.00 0.00 0.00 0.00 178.15 178.38 1mct h ALA 243 N 1.03 1.32 -0.01 1.87 0.00 -0.14 -2.78 119.26 120.53 1mct h ALA 243 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mct h ALA 243 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1mct h ALA 243 CO 0.02 0.25 -0.22 0.00 0.00 0.00 0.00 179.25 179.30 1mct n ALA 244 N -2.34 3.01 -0.86 0.00 0.00 -0.17 -5.07 120.51 115.07 1mct n ALA 244 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1mct n ALA 244 Cb 0.31 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1mct n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59