#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3moc s VAL 17 N 0.00 5.19 -1.03 2.52 1.01 -0.06 -4.07 120.40 123.96 3moc s VAL 17 Ca 0.00 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.62 3moc s VAL 17 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3moc s VAL 17 CO 0.00 0.56 0.01 0.61 0.00 0.00 0.00 175.10 176.29 3moc n GLY 18 N 2.06 -0.13 4.02 4.51 0.00 -1.25 -2.12 105.19 112.28 3moc n GLY 18 Ca -0.15 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 3moc n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3moc s GLY 19 N -2.46 1.72 0.11 -0.02 0.00 -1.26 -4.83 107.32 100.59 3moc s GLY 19 Ca 0.01 -2.03 0.03 0.00 0.00 0.00 0.00 44.72 42.73 3moc s GLY 19 CO 0.01 -1.46 -0.09 -0.51 0.00 0.00 0.00 173.10 171.05 3moc s THR 20 N -2.97 0.94 0.12 0.90 -4.23 0.34 -4.89 115.64 105.85 3moc s THR 20 Ca 0.66 -1.86 -0.31 0.00 -1.18 0.00 0.00 61.69 59.00 3moc s THR 20 Cb -0.05 -1.60 -0.09 0.00 1.34 0.00 0.00 72.50 72.10 3moc s THR 20 CO 0.43 -0.71 1.56 -0.70 -0.54 0.00 0.00 174.62 174.66 3moc s GLU 21 N -3.39 4.23 0.50 3.99 2.12 -1.26 -0.59 118.70 124.30 3moc s GLU 21 Ca 0.11 2.30 -0.20 0.00 0.36 0.00 0.00 54.97 57.53 3moc s GLU 21 Cb 0.01 -3.31 -0.08 0.00 0.26 0.00 0.00 34.13 31.02 3moc s GLU 21 CO -0.01 -0.62 1.07 0.00 -0.54 0.00 0.00 175.26 175.16 3moc s ALA 22 N 1.61 2.83 0.56 6.30 0.00 -0.42 -4.84 121.76 127.79 3moc s ALA 22 Ca 0.70 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 53.15 3moc s ALA 22 Cb -0.41 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 3moc s ALA 22 CO 0.31 -0.45 1.13 -0.65 0.00 0.00 0.00 175.76 176.11 3moc s GLN 23 N -3.21 3.29 0.21 0.00 -1.52 -1.26 -4.91 119.66 112.27 3moc s GLN 23 Ca 0.68 1.60 0.23 0.00 -1.95 0.00 0.00 55.36 55.93 3moc s GLN 23 Cb -0.19 -2.00 0.92 0.00 -0.22 0.00 0.00 33.01 31.52 3moc s GLN 23 CO 0.22 -0.90 1.71 2.89 -0.25 0.00 0.00 175.29 178.96 3moc n ARG 24 N -1.41 0.18 -0.26 2.91 1.85 -1.26 -2.32 116.66 116.36 3moc n ARG 24 Ca 0.12 0.35 0.07 0.00 -1.00 0.00 0.00 57.85 57.39 3moc n ARG 24 Cb 0.51 -1.81 0.18 0.00 -1.05 0.00 0.00 32.46 30.29 3moc n ARG 24 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3moc n ASN 25 N -2.14 3.14 0.04 2.89 6.94 -1.26 -4.74 115.26 120.13 3moc n ASN 25 Ca 0.03 -2.66 -0.11 0.00 -0.02 0.00 0.00 54.58 51.82 3moc n ASN 25 Cb 0.27 -0.38 0.02 0.00 -2.36 0.00 0.00 39.78 37.33 3moc n ASN 25 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3moc h SER 26 N 1.31 0.55 -2.09 0.53 0.02 -1.81 -3.40 113.55 108.67 3moc h SER 26 Ca 0.00 -0.35 -0.57 0.00 -0.84 0.00 0.00 61.79 60.03 3moc h SER 26 Cb 1.08 -0.16 -0.40 0.00 0.14 0.00 0.00 62.40 63.05 3moc h SER 26 CO 0.10 1.09 -0.88 0.79 -1.14 0.00 0.00 176.83 176.79 3moc n TRP 27 N -3.87 1.55 0.69 3.45 7.02 -1.26 -4.96 117.44 120.06 3moc n TRP 27 Ca -0.04 -3.85 0.09 0.00 -1.02 0.00 0.00 57.50 52.68 3moc n TRP 27 Cb 0.69 -0.45 0.41 0.00 -2.42 0.00 0.00 31.31 29.55 3moc n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3moc n PRO 28 N 1.00 0.05 0.00 -0.99 -0.04 -1.26 -2.28 135.00 131.48 3moc n PRO 28 Ca 0.25 0.17 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 3moc n PRO 28 Cb 0.48 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.84 3moc n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3moc n SER 29 N -1.46 1.01 -4.73 3.54 3.41 -1.22 -1.88 113.62 112.28 3moc n SER 29 Ca 0.05 -0.90 -0.42 0.00 -0.26 0.00 0.00 58.87 57.35 3moc n SER 29 Cb 0.21 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 3moc n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3moc s GLN 30 N -2.48 4.40 0.22 4.33 2.00 -0.97 -0.68 119.66 126.49 3moc s GLN 30 Ca 0.25 1.98 0.09 0.00 -2.00 0.00 0.00 55.36 55.69 3moc s GLN 30 Cb 0.19 -3.23 -0.05 0.00 0.80 0.00 0.00 33.01 30.72 3moc s GLN 30 CO 0.51 -0.25 -0.17 0.96 -0.50 0.00 0.00 175.29 175.84 3moc s ILE 31 N 0.37 1.96 -0.22 -2.34 -5.25 -0.72 -4.43 121.20 110.56 3moc s ILE 31 Ca 0.57 -2.23 -0.06 0.00 -0.99 0.00 0.00 60.65 57.95 3moc s ILE 31 Cb -0.35 -2.09 -0.02 0.00 2.95 0.00 0.00 42.46 42.95 3moc s ILE 31 CO 0.35 -0.50 0.02 -0.55 -1.79 0.00 0.00 174.94 172.47 3moc s SER 32 N -3.27 4.81 -0.19 4.36 0.15 -0.62 -2.86 113.70 116.07 3moc s SER 32 Ca 0.24 -0.25 -0.16 0.00 0.70 0.00 0.00 55.95 56.47 3moc s SER 32 Cb -0.03 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.40 3moc s SER 32 CO 0.09 0.01 0.41 -0.22 1.20 0.00 0.00 173.24 174.73 3moc s LEU 33 N 1.35 4.18 0.16 3.45 2.96 0.03 -1.31 118.68 129.49 3moc s LEU 33 Ca 0.04 0.56 0.09 0.00 -0.22 0.00 0.00 54.13 54.61 3moc s LEU 33 Cb -0.15 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 3moc s LEU 33 CO 0.01 -0.06 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.69 3moc s GLN 34 N 1.18 1.27 0.17 1.98 -0.21 -0.29 -0.71 119.66 123.05 3moc s GLN 34 Ca 0.20 -1.38 0.09 0.00 0.02 0.00 0.00 55.36 54.29 3moc s GLN 34 Cb -0.15 -1.37 -0.04 0.00 1.00 0.00 0.00 33.01 32.45 3moc s GLN 34 CO 0.08 0.28 -0.19 1.52 -2.12 0.00 0.00 175.29 174.86 3moc s TYR 35 N -1.91 1.89 -0.07 0.91 1.13 -0.32 -0.82 117.35 118.16 3moc s TYR 35 Ca 0.15 -0.45 -0.29 0.00 -1.41 0.00 0.00 57.07 55.07 3moc s TYR 35 Cb -0.06 -0.94 -0.02 0.00 -1.10 0.00 0.00 41.96 39.83 3moc s TYR 35 CO 0.06 0.35 0.96 0.50 -2.51 0.00 0.00 175.55 174.92 3moc s ARG 36 N -2.76 4.46 -0.31 -3.49 3.52 -0.96 -1.07 118.95 118.34 3moc s ARG 36 Ca 0.16 1.33 0.01 0.00 -0.13 0.00 0.00 55.73 57.11 3moc s ARG 36 Cb -0.06 -3.51 0.09 0.00 -1.56 0.00 0.00 34.95 29.91 3moc s ARG 36 CO 0.07 -0.19 0.06 0.45 -0.81 0.00 0.00 175.30 174.88 3moc s SER 36 N 1.05 4.23 1.96 -2.12 0.15 0.35 -4.82 113.70 114.50 3moc s SER 36 Ca 0.48 -1.73 0.00 0.00 0.70 0.00 0.00 55.95 55.40 3moc s SER 36 Cb -0.19 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 3moc s SER 36 CO 0.21 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3moc n GLY 36 N 4.62 2.93 0.78 9.45 0.00 -1.26 -1.63 105.19 120.08 3moc n GLY 36 Ca -0.02 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.37 3moc n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3moc n SER 36 N 10.35 2.52 -3.00 1.61 2.88 -1.26 -4.98 113.62 121.74 3moc n SER 36 Ca 0.00 -1.79 -0.14 0.00 -1.33 0.00 0.00 58.87 55.60 3moc n SER 36 Cb 0.00 0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 3moc n SER 36 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3moc n SER 37 N 0.85 1.87 -4.23 -3.46 3.41 -0.64 -5.16 113.62 106.26 3moc n SER 37 Ca 0.14 -2.10 -0.23 0.00 -0.26 0.00 0.00 58.87 56.42 3moc n SER 37 Cb 0.53 0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 64.70 3moc n SER 37 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3moc s TRP 38 N -2.12 1.59 -0.01 7.33 0.52 -1.26 -0.50 118.94 124.50 3moc s TRP 38 Ca 0.05 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.80 3moc s TRP 38 Cb 0.00 -0.91 -0.01 0.00 -1.15 0.00 0.00 33.47 31.41 3moc s TRP 38 CO 0.04 0.12 -0.07 0.00 0.02 0.00 0.00 176.95 177.05 3moc s ALA 39 N -1.03 0.61 0.20 0.98 0.00 -0.23 -4.88 121.76 117.41 3moc s ALA 39 Ca 0.04 -0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 3moc s ALA 39 Cb -0.09 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.78 3moc s ALA 39 CO 0.03 0.15 1.36 -1.58 0.00 0.00 0.00 175.76 175.72 3moc s HIS 40 N -0.18 3.18 -0.00 0.00 2.46 -1.26 -1.17 115.29 118.31 3moc s HIS 40 Ca 0.03 1.12 0.00 0.00 0.47 0.00 0.00 55.06 56.68 3moc s HIS 40 Cb -0.03 -3.68 -0.00 0.00 -0.13 0.00 0.00 32.58 28.74 3moc s HIS 40 CO -0.00 -2.20 -0.00 -2.37 -2.47 0.00 0.00 174.74 167.70 3moc n THR 41 N 2.70 0.01 -3.39 0.89 5.66 0.12 -4.91 114.28 115.36 3moc n THR 41 Ca 0.07 -0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.02 3moc n THR 41 Cb 0.42 -0.68 0.01 0.00 -1.55 0.00 0.00 70.33 68.53 3moc n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3moc n GLY 43 N -0.26 2.84 0.00 0.00 0.00 -0.23 -0.79 105.19 106.74 3moc n GLY 43 Ca -0.04 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.74 3moc n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3moc n GLY 44 N 1.59 -0.95 3.00 -0.02 0.00 -1.14 -3.74 105.19 103.92 3moc n GLY 44 Ca -0.01 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 3moc n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3moc s THR 45 N -2.00 0.88 -0.09 2.61 2.01 0.01 -1.76 115.64 117.30 3moc s THR 45 Ca 0.00 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 3moc s THR 45 Cb 0.00 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 3moc s THR 45 CO 0.00 0.28 1.25 -0.22 -0.69 0.00 0.00 174.62 175.24 3moc s LEU 46 N 0.46 4.24 -0.00 4.42 2.96 0.14 -0.77 118.68 130.13 3moc s LEU 46 Ca -0.08 1.79 0.03 0.00 -0.22 0.00 0.00 54.13 55.65 3moc s LEU 46 Cb -0.12 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 3moc s LEU 46 CO 0.01 -0.67 0.07 2.30 -1.32 0.00 0.00 176.35 176.75 3moc n ILE 47 N 4.92 0.00 -4.24 6.68 -5.35 -0.37 0.26 119.36 121.26 3moc n ILE 47 Ca 0.12 -0.09 -0.13 0.00 -0.27 0.00 0.00 62.75 62.38 3moc n ILE 47 Cb 0.45 0.46 -0.10 0.00 -1.74 0.00 0.00 39.64 38.71 3moc n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3moc s ARG 48 N -2.17 1.18 0.61 6.28 1.81 -0.99 -4.74 118.95 120.93 3moc s ARG 48 Ca -0.01 -1.60 0.32 0.00 -1.72 0.00 0.00 55.73 52.72 3moc s ARG 48 Cb 0.02 -0.04 1.87 0.00 -0.45 0.00 0.00 34.95 36.35 3moc s ARG 48 CO 0.13 -0.26 2.19 1.96 -0.68 0.00 0.00 175.30 178.64 3moc h GLN 49 N 2.62 0.00 0.00 3.54 4.20 -1.96 -2.36 115.11 121.15 3moc h GLN 49 Ca -0.37 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 3moc h GLN 49 Cb 1.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 3moc h GLN 49 CO 0.59 0.00 -0.21 0.27 -0.67 0.00 0.00 178.83 178.81 3moc n ASN 50 N -3.58 1.73 -4.04 1.46 6.94 -1.26 -1.35 115.26 115.16 3moc n ASN 50 Ca -0.01 -2.92 -0.20 0.00 -0.02 0.00 0.00 54.58 51.43 3moc n ASN 50 Cb 0.20 -0.39 -0.15 0.00 -2.36 0.00 0.00 39.78 37.09 3moc n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3moc s TRP 51 N -2.21 0.92 0.01 -2.53 0.52 -0.89 -0.75 118.94 114.01 3moc s TRP 51 Ca 0.26 -0.18 0.08 0.00 0.02 0.00 0.00 56.10 56.28 3moc s TRP 51 Cb 0.24 -0.60 -0.02 0.00 -1.15 0.00 0.00 33.47 31.93 3moc s TRP 51 CO 0.00 -0.03 -0.23 0.08 0.02 0.00 0.00 176.95 176.79 3moc s VAL 52 N -0.19 1.86 -0.13 4.03 1.01 -0.21 -1.24 120.40 125.53 3moc s VAL 52 Ca 0.03 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 3moc s VAL 52 Cb -0.04 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3moc s VAL 52 CO -0.00 0.43 -0.01 -0.32 0.00 0.00 0.00 175.10 175.19 3moc s MET 53 N -0.81 3.43 0.06 2.72 1.75 0.05 -0.25 119.30 126.24 3moc s MET 53 Ca 0.09 -0.46 -0.00 0.00 -1.25 0.00 0.00 55.69 54.07 3moc s MET 53 Cb -0.09 -2.89 0.00 0.00 2.84 0.00 0.00 34.83 34.69 3moc s MET 53 CO 0.00 0.43 0.07 -2.37 -0.65 0.00 0.00 175.02 172.50 3moc n THR 54 N 2.98 0.00 -3.24 10.11 5.66 -0.45 -0.81 114.28 128.54 3moc n THR 54 Ca -0.18 -0.29 -0.35 0.00 -3.05 0.00 0.00 64.05 60.18 3moc n THR 54 Cb 0.53 0.18 -0.06 0.00 -1.55 0.00 0.00 70.33 69.42 3moc n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3moc s ALA 55 N -1.80 3.48 0.28 1.79 0.00 -1.26 -1.55 121.76 122.70 3moc s ALA 55 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 3moc s ALA 55 Cb -0.00 -2.65 0.40 0.00 0.00 0.00 0.00 23.12 20.87 3moc s ALA 55 CO 0.03 0.40 1.94 0.00 0.00 0.00 0.00 175.76 178.13 3moc h ALA 56 N 3.22 1.39 0.00 0.00 0.00 -1.71 -2.45 119.26 119.71 3moc h ALA 56 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3moc h ALA 56 Cb 1.19 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3moc h ALA 56 CO 0.66 0.53 0.00 1.12 0.00 0.00 0.00 179.25 181.56 3moc h HIS 57 N 1.18 0.00 0.00 0.00 2.07 -1.93 -2.00 115.15 114.47 3moc h HIS 57 Ca 0.35 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.80 3moc h HIS 57 Cb -0.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.93 3moc h HIS 57 CO -0.00 0.00 -0.36 0.00 -3.07 0.00 0.00 177.93 174.50 3moc n VAL 59 N -4.07 2.50 -0.11 0.00 0.24 -0.76 -4.54 118.33 111.59 3moc n VAL 59 Ca -0.02 -2.56 -0.10 0.00 -2.04 0.00 0.00 64.34 59.62 3moc n VAL 59 Cb 0.40 -0.31 0.04 0.00 -1.47 0.00 0.00 33.84 32.49 3moc n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3moc h ASP 60 N 1.12 0.89 -3.98 -1.34 3.45 -1.49 -3.45 116.42 111.63 3moc h ASP 60 Ca 0.18 -0.36 -0.47 0.00 0.43 0.00 0.00 57.03 56.82 3moc h ASP 60 Cb 1.63 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 40.16 3moc h ASP 60 CO 0.36 1.11 0.38 -0.13 -1.57 0.00 0.00 179.24 179.40 3moc s ARG 61 N -4.53 4.22 -1.38 3.56 0.52 -1.26 -4.95 118.95 115.13 3moc s ARG 61 Ca -0.10 1.38 -0.13 0.00 -0.52 0.00 0.00 55.73 56.35 3moc s ARG 61 Cb 0.12 -2.47 0.08 0.00 0.52 0.00 0.00 34.95 33.20 3moc s ARG 61 CO 0.86 -0.06 2.02 0.39 0.02 0.00 0.00 175.30 178.52 3moc n GLU 62 N -0.15 3.12 -4.20 3.54 -0.58 -1.26 -4.95 120.64 116.16 3moc n GLU 62 Ca 0.05 -3.00 -0.24 0.00 -0.42 0.00 0.00 57.16 53.54 3moc n GLU 62 Cb 0.51 -3.22 -0.08 0.00 -0.57 0.00 0.00 31.44 28.08 3moc n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3moc s LEU 63 N 1.91 3.10 -0.19 -4.62 1.43 -1.26 -5.11 118.68 113.94 3moc s LEU 63 Ca 0.46 -0.98 -0.23 0.00 -1.03 0.00 0.00 54.13 52.35 3moc s LEU 63 Cb 0.10 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 3moc s LEU 63 CO -0.04 -0.38 0.73 -0.89 0.23 0.00 0.00 176.35 176.01 3moc s THR 64 N -2.53 4.95 0.15 5.49 2.01 -1.26 -5.04 115.64 119.41 3moc s THR 64 Ca 0.38 1.41 0.08 0.00 0.31 0.00 0.00 61.69 63.87 3moc s THR 64 Cb 0.01 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 3moc s THR 64 CO 0.21 0.06 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.75 3moc s PHE 65 N 2.08 2.68 0.08 4.92 0.08 -1.26 -2.27 117.98 124.29 3moc s PHE 65 Ca 0.33 -0.20 0.01 0.00 0.12 0.00 0.00 56.93 57.20 3moc s PHE 65 Cb -0.16 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 3moc s PHE 65 CO 0.11 0.48 -0.06 -0.98 -0.10 0.00 0.00 175.22 174.67 3moc s ARG 65 N -2.60 0.74 -0.06 0.44 1.70 -0.00 -3.37 118.95 115.80 3moc s ARG 65 Ca 0.23 -1.25 0.02 0.00 -0.47 0.00 0.00 55.73 54.26 3moc s ARG 65 Cb -0.10 -0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.16 3moc s ARG 65 CO 0.15 -0.04 -0.10 0.08 -1.08 0.00 0.00 175.30 174.31 3moc s VAL 66 N -3.51 3.42 -0.17 4.99 1.01 -0.07 -1.13 120.40 124.93 3moc s VAL 66 Ca 0.08 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3moc s VAL 66 Cb 0.05 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 34.07 3moc s VAL 66 CO -0.06 0.59 -0.20 -0.69 0.00 0.00 0.00 175.10 174.75 3moc s VAL 67 N -0.76 2.10 0.27 2.92 1.01 -0.43 -1.05 120.40 124.47 3moc s VAL 67 Ca 0.12 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.24 3moc s VAL 67 Cb -0.11 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3moc s VAL 67 CO 0.01 0.54 0.12 0.68 0.00 0.00 0.00 175.10 176.45 3moc s VAL 68 N 1.13 3.90 -1.57 2.92 -7.23 -0.73 -1.59 120.40 117.23 3moc s VAL 68 Ca 0.01 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 3moc s VAL 68 Cb -0.14 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.66 3moc s VAL 68 CO -0.09 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 3moc n GLY 69 N -1.07 0.28 3.85 2.32 0.00 -1.25 -1.70 105.19 107.61 3moc n GLY 69 Ca -0.07 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 3moc n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3moc s GLU 70 N -4.43 3.99 0.04 1.61 2.56 -1.26 -3.64 118.70 117.57 3moc s GLU 70 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 54.97 55.51 3moc s GLU 70 Cb 0.00 -2.78 0.00 0.00 2.00 0.00 0.00 34.13 33.35 3moc s GLU 70 CO 0.00 0.37 0.00 1.58 -0.56 0.00 0.00 175.26 176.65 3moc n HIS 71 N 0.39 -0.28 -3.89 5.30 -0.00 -1.26 -4.94 115.22 110.54 3moc n HIS 71 Ca -0.02 0.05 -0.35 0.00 -0.00 0.00 0.00 57.72 57.40 3moc n HIS 71 Cb 0.52 0.35 -0.14 0.00 -0.00 0.00 0.00 29.99 30.73 3moc n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3moc s ASN 72 N -5.05 4.45 0.55 0.26 3.84 -1.26 -1.50 114.94 116.24 3moc s ASN 72 Ca 0.00 -0.48 0.33 0.00 0.21 0.00 0.00 52.86 52.91 3moc s ASN 72 Cb 0.00 -1.76 1.57 0.00 -0.55 0.00 0.00 41.25 40.52 3moc s ASN 72 CO 0.00 -0.06 2.08 -0.07 -2.79 0.00 0.00 177.10 176.27 3moc h LEU 73 N 8.12 0.00 0.00 3.21 3.38 -0.55 -3.20 115.31 126.27 3moc h LEU 73 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3moc h LEU 73 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3moc h LEU 73 CO 0.60 0.07 -1.86 -0.46 0.09 0.00 0.00 178.44 176.88 3moc n ASN 74 N -3.33 0.13 -4.51 -0.43 6.94 -1.26 -5.00 115.26 107.79 3moc n ASN 74 Ca -0.01 -0.02 -0.27 0.00 -0.02 0.00 0.00 54.58 54.26 3moc n ASN 74 Cb 0.24 1.80 -0.10 0.00 -2.36 0.00 0.00 39.78 39.36 3moc n ASN 74 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3moc s GLN 75 N -3.48 1.82 -0.05 -3.83 -1.52 -1.21 -5.09 119.66 106.30 3moc s GLN 75 Ca -0.06 -1.36 -0.30 0.00 -1.95 0.00 0.00 55.36 51.68 3moc s GLN 75 Cb 0.14 -2.03 -0.04 0.00 -0.22 0.00 0.00 33.01 30.86 3moc s GLN 75 CO 0.90 0.42 1.31 1.21 -0.25 0.00 0.00 175.29 178.88 3moc s ASN 76 N -2.71 6.94 0.09 5.90 2.47 -1.26 -4.69 114.94 121.67 3moc s ASN 76 Ca 0.23 1.93 0.21 0.00 0.42 0.00 0.00 52.86 55.65 3moc s ASN 76 Cb -0.09 -2.55 -0.14 0.00 -1.45 0.00 0.00 41.25 37.02 3moc s ASN 76 CO 0.13 -0.68 0.78 0.59 -3.72 0.00 0.00 177.10 174.19 3moc n ASN 77 N 5.60 0.53 0.00 -4.21 4.13 -1.26 -4.98 115.26 115.07 3moc n ASN 77 Ca 0.13 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.60 3moc n ASN 77 Cb 0.45 0.96 0.00 0.00 -1.54 0.00 0.00 39.78 39.65 3moc n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3moc n GLY 78 N 1.26 0.45 0.00 7.41 0.00 -1.26 -4.89 105.19 108.16 3moc n GLY 78 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3moc n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3moc n THR 79 N -2.93 0.00 -2.58 2.61 -2.24 -1.26 -5.10 114.28 102.78 3moc n THR 79 Ca 0.00 -0.06 -0.40 0.00 -2.27 0.00 0.00 64.05 61.32 3moc n THR 79 Cb 0.00 1.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.79 3moc n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3moc s GLU 80 N -0.04 4.72 -0.06 -0.78 8.01 -1.24 -4.46 118.70 124.85 3moc s GLU 80 Ca 0.00 1.68 0.05 0.00 0.01 0.00 0.00 54.97 56.72 3moc s GLU 80 Cb 0.00 -3.23 -0.01 0.00 -4.31 0.00 0.00 34.13 26.58 3moc s GLU 80 CO 0.00 0.33 -0.22 -0.65 0.01 0.00 0.00 175.26 174.72 3moc s GLN 81 N -1.31 2.58 -0.12 1.61 -0.21 -0.69 -4.99 119.66 116.53 3moc s GLN 81 Ca 0.43 -0.85 -0.01 0.00 0.02 0.00 0.00 55.36 54.95 3moc s GLN 81 Cb -0.30 -2.23 -0.02 0.00 1.00 0.00 0.00 33.01 31.46 3moc s GLN 81 CO 0.37 0.42 -0.09 0.71 -2.12 0.00 0.00 175.29 174.59 3moc s TYR 82 N -0.26 2.90 -0.07 0.91 1.51 -1.26 -1.77 117.35 119.31 3moc s TYR 82 Ca -0.00 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.64 3moc s TYR 82 Cb -0.13 -1.85 0.04 0.00 -0.11 0.00 0.00 41.96 39.91 3moc s TYR 82 CO 0.03 -0.03 0.17 0.54 -1.11 0.00 0.00 175.55 175.15 3moc s VAL 83 N 0.09 -0.04 0.68 0.71 0.11 -0.22 -5.00 120.40 116.73 3moc s VAL 83 Ca -0.03 0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 59.01 3moc s VAL 83 Cb -0.14 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.44 3moc s VAL 83 CO 0.04 0.06 1.12 -0.83 -3.33 0.00 0.00 175.10 172.15 3moc s GLY 84 N 1.01 2.13 -0.27 6.54 0.00 -1.26 -0.90 107.32 114.57 3moc s GLY 84 Ca -0.08 0.55 -0.17 0.00 0.00 0.00 0.00 44.72 45.02 3moc s GLY 84 CO -0.06 0.91 0.49 0.14 0.00 0.00 0.00 173.10 174.59 3moc s VAL 85 N -2.35 5.08 -0.09 1.40 1.01 -1.22 -0.94 120.40 123.29 3moc s VAL 85 Ca 0.67 0.79 0.01 0.00 0.00 0.00 0.00 61.98 63.45 3moc s VAL 85 Cb -0.21 -3.82 -0.25 0.00 0.00 0.00 0.00 36.38 32.10 3moc s VAL 85 CO 0.43 0.07 0.47 1.67 0.00 0.00 0.00 175.10 177.74 3moc n GLN 86 N 5.53 0.71 -3.81 2.72 7.27 0.45 -4.86 117.38 125.39 3moc n GLN 86 Ca -0.05 0.27 -0.12 0.00 0.07 0.00 0.00 57.00 57.17 3moc n GLN 86 Cb 0.50 -1.74 -0.10 0.00 2.41 0.00 0.00 30.24 31.31 3moc n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3moc s LYS 87 N -2.57 0.44 -0.16 3.69 2.20 -1.07 -4.99 119.74 117.29 3moc s LYS 87 Ca -0.15 -0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.45 3moc s LYS 87 Cb 0.07 0.20 0.02 0.00 -1.51 0.00 0.00 37.83 36.60 3moc s LYS 87 CO 0.79 -0.09 -0.19 0.42 -0.36 0.00 0.00 175.35 175.91 3moc s ILE 88 N -0.68 1.93 -0.32 5.43 1.01 -1.26 -1.17 121.20 126.14 3moc s ILE 88 Ca -0.08 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 3moc s ILE 88 Cb -0.04 -1.74 0.05 0.00 0.01 0.00 0.00 42.46 40.74 3moc s ILE 88 CO 0.02 0.52 0.04 -0.69 0.00 0.00 0.00 174.94 174.83 3moc s VAL 89 N 1.17 3.19 0.16 2.92 1.01 0.04 -5.00 120.40 123.88 3moc s VAL 89 Ca 0.01 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 60.55 3moc s VAL 89 Cb -0.14 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 3moc s VAL 89 CO -0.09 -0.17 0.41 -0.69 0.00 0.00 0.00 175.10 174.57 3moc s VAL 90 N 1.28 5.12 0.21 2.92 1.01 -1.26 -0.93 120.40 128.75 3moc s VAL 90 Ca -0.03 0.13 -0.32 0.00 0.00 0.00 0.00 61.98 61.75 3moc s VAL 90 Cb -0.20 -3.62 -0.13 0.00 0.00 0.00 0.00 36.38 32.43 3moc s VAL 90 CO -0.00 0.02 1.53 1.57 0.00 0.00 0.00 175.10 178.22 3moc n HIS 91 N 0.06 2.36 0.31 5.22 -0.00 -0.79 -4.85 115.22 117.52 3moc n HIS 91 Ca -0.02 0.30 0.19 0.00 0.46 0.00 0.00 57.72 58.65 3moc n HIS 91 Cb 0.52 -2.53 1.03 0.00 -0.12 0.00 0.00 29.99 28.89 3moc n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3moc h PRO 92 N 5.25 0.00 -0.09 1.57 0.11 -1.92 -1.87 132.00 135.05 3moc h PRO 92 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3moc h PRO 92 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3moc h PRO 92 CO 0.84 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 179.30 3moc n TYR 93 N -3.40 0.09 -1.87 0.65 4.01 -1.26 -4.95 117.16 110.43 3moc n TYR 93 Ca -0.03 -0.04 -0.41 0.00 -0.16 0.00 0.00 57.90 57.26 3moc n TYR 93 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.13 3moc n TYR 93 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3moc s TRP 94 N -1.91 2.78 -0.10 -0.72 -0.11 -0.71 -4.89 118.94 113.29 3moc s TRP 94 Ca 0.32 1.05 -0.02 0.00 1.22 0.00 0.00 56.10 58.67 3moc s TRP 94 Cb 0.20 -3.96 0.04 0.00 -1.50 0.00 0.00 33.47 28.25 3moc s TRP 94 CO 0.31 -2.99 0.02 1.21 -4.62 0.00 0.00 176.95 170.88 3moc s ASN 95 N 0.11 1.84 0.51 5.86 2.47 -1.26 -5.01 114.94 119.47 3moc s ASN 95 Ca 0.57 -0.25 0.27 0.00 0.42 0.00 0.00 52.86 53.87 3moc s ASN 95 Cb -0.45 -0.42 1.38 0.00 -1.45 0.00 0.00 41.25 40.31 3moc s ASN 95 CO 0.53 -0.23 1.92 0.00 -3.72 0.00 0.00 177.10 175.60 3moc h THR 96 N 6.38 0.64 0.00 -5.21 1.03 -1.98 -0.39 112.91 113.38 3moc h THR 96 Ca -0.18 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 3moc h THR 96 Cb 1.13 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 3moc h THR 96 CO 0.26 0.01 0.00 0.47 -0.01 0.00 0.00 175.52 176.26 3moc n ASP 97 N -4.34 0.00 -2.73 0.00 8.00 -1.26 -4.46 116.55 111.75 3moc n ASP 97 Ca 0.16 -0.93 -0.08 0.00 0.71 0.00 0.00 54.79 54.64 3moc n ASP 97 Cb 0.80 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.97 3moc n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3moc n ASP 98 N -0.87 -2.53 -2.03 -2.24 -0.08 -0.15 -5.05 116.55 103.60 3moc n ASP 98 Ca 0.13 -3.44 0.00 0.00 -1.51 0.00 0.00 54.79 49.97 3moc n ASP 98 Cb 0.06 1.84 0.00 0.00 2.34 0.00 0.00 41.12 45.36 3moc n ASP 98 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 3moc n VAL 99 N 0.94 0.00 0.00 5.18 3.14 -1.25 -3.87 118.33 122.46 3moc n VAL 99 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 3moc n VAL 99 Cb 0.67 -1.01 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 3moc n VAL 99 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3moc n ALA 99 N 2.03 0.00 0.00 1.55 0.00 -1.26 -4.80 120.51 118.03 3moc n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3moc n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3moc n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3moc n GLY 100 N 0.00 -0.74 2.51 0.00 0.00 -1.25 -4.98 105.19 100.74 3moc n GLY 100 Ca 0.00 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 3moc n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3moc n TYR 101 N 0.00 -0.03 -2.33 1.61 4.01 -1.26 -4.66 117.16 114.49 3moc n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3moc n TYR 101 Cb 0.00 -3.09 0.00 0.00 -0.31 0.00 0.00 39.34 35.94 3moc n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3moc n ASP 102 N -0.92 4.63 -3.63 7.72 4.64 -1.26 -4.38 116.55 123.35 3moc n ASP 102 Ca -0.18 -2.90 -0.15 0.00 -1.38 0.00 0.00 54.79 50.18 3moc n ASP 102 Cb 0.59 -1.72 -0.07 0.00 -1.04 0.00 0.00 41.12 38.88 3moc n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 3moc s ILE 103 N 3.93 0.01 -0.02 5.18 2.07 -1.26 -3.85 121.20 127.26 3moc s ILE 103 Ca 0.52 -0.06 -0.17 0.00 -1.41 0.00 0.00 60.65 59.53 3moc s ILE 103 Cb 0.07 -0.87 0.03 0.00 0.13 0.00 0.00 42.46 41.82 3moc s ILE 103 CO 0.03 -0.03 0.36 0.00 -1.91 0.00 0.00 174.94 173.39 3moc s ALA 104 N -0.37 -0.92 -0.03 1.50 0.00 -0.59 -1.89 121.76 119.45 3moc s ALA 104 Ca -0.05 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.40 3moc s ALA 104 Cb -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3moc s ALA 104 CO 0.04 -0.28 -0.15 -0.51 0.00 0.00 0.00 175.76 174.86 3moc s LEU 105 N -1.35 2.71 -0.16 0.00 1.43 -0.10 -1.34 118.68 119.87 3moc s LEU 105 Ca -0.13 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3moc s LEU 105 Cb -0.04 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.63 3moc s LEU 105 CO 0.05 0.33 -0.19 -0.76 0.23 0.00 0.00 176.35 176.01 3moc s LEU 106 N -0.84 2.27 -0.07 1.79 1.43 0.65 -0.78 118.68 123.13 3moc s LEU 106 Ca 0.12 -0.56 -0.27 0.00 -1.03 0.00 0.00 54.13 52.39 3moc s LEU 106 Cb -0.11 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3moc s LEU 106 CO 0.01 0.06 0.85 -0.60 0.23 0.00 0.00 176.35 176.90 3moc s ARG 107 N 0.97 4.45 0.32 1.70 3.52 -0.31 -1.04 118.95 128.56 3moc s ARG 107 Ca -0.03 1.13 -0.12 0.00 -0.13 0.00 0.00 55.73 56.59 3moc s ARG 107 Cb -0.15 -3.48 -0.08 0.00 -1.56 0.00 0.00 34.95 29.68 3moc s ARG 107 CO -0.04 -0.08 0.69 -0.51 -0.81 0.00 0.00 175.30 174.55 3moc s LEU 108 N 1.22 4.02 0.39 -0.88 1.43 0.07 -0.42 118.68 124.51 3moc s LEU 108 Ca 0.44 1.11 0.09 0.00 -1.03 0.00 0.00 54.13 54.73 3moc s LEU 108 Cb -0.19 -3.93 0.78 0.00 0.03 0.00 0.00 46.19 42.89 3moc s LEU 108 CO 0.20 -0.23 1.93 0.00 0.23 0.00 0.00 176.35 178.49 3moc h ALA 109 N 1.99 1.53 -2.48 4.21 0.00 -1.37 -3.43 119.26 119.70 3moc h ALA 109 Ca -0.47 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.06 3moc h ALA 109 Cb 1.18 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.70 3moc h ALA 109 CO 0.66 0.34 -0.70 -0.65 0.00 0.00 0.00 179.25 178.90 3moc s GLN 110 N -4.86 0.66 0.17 0.00 1.11 -1.26 -5.05 119.66 110.44 3moc s GLN 110 Ca -0.06 -1.12 -0.25 0.00 0.01 0.00 0.00 55.36 53.94 3moc s GLN 110 Cb 0.16 -0.07 -0.08 0.00 -1.01 0.00 0.00 33.01 32.01 3moc s GLN 110 CO 0.73 -0.03 0.78 -1.12 0.01 0.00 0.00 175.29 175.66 3moc s SER 111 N -2.58 7.38 0.45 5.90 0.01 -1.26 -4.74 113.70 118.86 3moc s SER 111 Ca 0.04 1.65 -0.05 0.00 1.31 0.00 0.00 55.95 58.89 3moc s SER 111 Cb 0.02 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 3moc s SER 111 CO -0.05 0.20 0.75 0.68 0.41 0.00 0.00 173.24 175.23 3moc s VAL 112 N -1.18 4.92 -0.12 3.43 -7.23 -0.45 -4.99 120.40 114.78 3moc s VAL 112 Ca 0.36 0.16 -0.15 0.00 -1.81 0.00 0.00 61.98 60.54 3moc s VAL 112 Cb -0.23 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 32.82 3moc s VAL 112 CO 0.26 -0.77 0.36 -0.89 -0.31 0.00 0.00 175.10 173.75 3moc s THR 113 N -2.64 5.23 0.21 5.32 2.01 -1.26 -4.88 115.64 119.63 3moc s THR 113 Ca 0.47 0.71 -0.25 0.00 0.31 0.00 0.00 61.69 62.93 3moc s THR 113 Cb -0.10 -3.70 -0.08 0.00 0.01 0.00 0.00 72.50 68.63 3moc s THR 113 CO 0.42 0.40 0.82 -0.76 -0.69 0.00 0.00 174.62 174.82 3moc s LEU 114 N 0.25 4.53 0.00 4.42 1.43 -1.26 -4.82 118.68 123.23 3moc s LEU 114 Ca 0.21 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 3moc s LEU 114 Cb -0.14 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.57 3moc s LEU 114 CO 0.07 0.13 0.00 -0.46 0.23 0.00 0.00 176.35 176.33 3moc n ASN 115 N 1.29 0.00 0.19 2.29 0.23 -0.44 -4.96 115.26 113.86 3moc n ASN 115 Ca -0.03 -0.46 0.14 0.00 -0.53 0.00 0.00 54.58 53.69 3moc n ASN 115 Cb 0.49 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.78 3moc n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3moc h SER 116 N 0.00 0.00 0.02 0.53 4.64 -2.00 -2.69 113.55 114.05 3moc h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3moc h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3moc h SER 116 CO 0.00 0.00 -0.82 -1.22 -0.87 0.00 0.00 176.83 173.92 3moc n TYR 117 N -2.56 0.00 -3.61 4.77 4.01 -1.26 -4.77 117.16 113.74 3moc n TYR 117 Ca 0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.48 3moc n TYR 117 Cb 0.24 -0.01 -0.17 0.00 -0.31 0.00 0.00 39.34 39.09 3moc n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3moc s VAL 118 N -2.85 -0.02 0.05 -0.72 1.01 -1.01 -3.94 120.40 112.93 3moc s VAL 118 Ca 0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 3moc s VAL 118 Cb 0.17 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 3moc s VAL 118 CO 0.78 -0.37 0.02 -1.10 0.00 0.00 0.00 175.10 174.43 3moc s GLN 119 N 2.10 0.63 0.28 2.72 -1.52 -0.79 -1.32 119.66 121.76 3moc s GLN 119 Ca 0.03 -1.09 -0.29 0.00 -1.95 0.00 0.00 55.36 52.07 3moc s GLN 119 Cb -0.16 0.23 -0.09 0.00 -0.22 0.00 0.00 33.01 32.76 3moc s GLN 119 CO -0.15 -0.14 1.05 -0.51 -0.25 0.00 0.00 175.29 175.29 3moc s LEU 120 N -2.73 4.55 0.31 2.90 1.43 -1.26 -3.46 118.68 120.41 3moc s LEU 120 Ca 0.04 2.15 -0.28 0.00 -1.03 0.00 0.00 54.13 55.01 3moc s LEU 120 Cb 0.05 -3.67 -0.09 0.00 0.03 0.00 0.00 46.19 42.51 3moc s LEU 120 CO -0.09 -0.08 1.10 -0.83 0.23 0.00 0.00 176.35 176.68 3moc s GLY 121 N -1.03 2.99 -0.16 -3.19 0.00 0.14 -4.81 107.32 101.26 3moc s GLY 121 Ca 0.45 0.87 -0.18 0.00 0.00 0.00 0.00 44.72 45.86 3moc s GLY 121 CO 0.37 1.44 0.49 0.14 0.00 0.00 0.00 173.10 175.54 3moc s VAL 122 N -1.28 5.15 0.20 1.40 1.01 -1.26 -4.80 120.40 120.82 3moc s VAL 122 Ca 0.48 0.95 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 3moc s VAL 122 Cb -0.30 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 3moc s VAL 122 CO 0.39 0.26 0.41 -0.76 0.00 0.00 0.00 175.10 175.39 3moc s LEU 123 N 1.08 4.21 0.78 3.92 1.43 -1.26 -0.85 118.68 127.99 3moc s LEU 123 Ca 0.25 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.73 3moc s LEU 123 Cb -0.15 -3.25 0.06 0.00 0.03 0.00 0.00 46.19 42.87 3moc s LEU 123 CO 0.10 -0.04 1.09 -2.84 0.23 0.00 0.00 176.35 174.88 3moc s PRO 124 N -3.20 2.23 0.53 1.29 0.02 -1.26 -4.90 135.00 129.72 3moc s PRO 124 Ca 0.40 0.78 -0.20 0.00 0.02 0.00 0.00 61.00 62.00 3moc s PRO 124 Cb -0.11 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.42 3moc s PRO 124 CO 0.28 -1.55 1.13 1.03 -0.33 0.00 0.00 177.00 177.56 3moc s ARG 125 N -5.08 3.42 0.37 5.54 0.52 -1.26 -4.84 118.95 117.61 3moc s ARG 125 Ca 0.60 1.61 -0.27 0.00 -0.52 0.00 0.00 55.73 57.15 3moc s ARG 125 Cb -0.15 -2.05 -0.11 0.00 0.52 0.00 0.00 34.95 33.16 3moc s ARG 125 CO 0.55 -0.79 1.29 0.00 0.02 0.00 0.00 175.30 176.36 3moc n ALA 126 N -1.20 1.33 0.00 2.13 0.00 -1.26 -2.50 120.51 119.01 3moc n ALA 126 Ca 0.11 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3moc n ALA 126 Cb 0.51 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3moc n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3moc n GLY 127 N 0.77 2.29 3.72 0.00 0.00 -0.71 -5.01 105.19 106.25 3moc n GLY 127 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3moc n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3moc s THR 128 N -2.69 2.67 -0.05 2.61 2.01 -1.04 -5.00 115.64 114.14 3moc s THR 128 Ca 0.00 0.50 0.05 0.00 0.31 0.00 0.00 61.69 62.55 3moc s THR 128 Cb 0.00 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 3moc s THR 128 CO 0.00 0.05 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.13 3moc s ILE 129 N 0.84 1.80 0.13 1.82 -1.09 -1.26 -4.78 121.20 118.65 3moc s ILE 129 Ca 0.67 -0.92 -0.22 0.00 -2.23 0.00 0.00 60.65 57.95 3moc s ILE 129 Cb -0.43 -1.53 -0.07 0.00 -1.58 0.00 0.00 42.46 38.85 3moc s ILE 129 CO 0.34 0.51 0.67 -0.76 -1.23 0.00 0.00 174.94 174.47 3moc s LEU 130 N -0.06 4.55 0.75 2.97 1.43 -1.26 -5.04 118.68 122.02 3moc s LEU 130 Ca -0.04 1.44 -0.14 0.00 -1.03 0.00 0.00 54.13 54.36 3moc s LEU 130 Cb -0.13 -3.12 0.05 0.00 0.03 0.00 0.00 46.19 43.02 3moc s LEU 130 CO 0.03 0.23 1.20 0.00 0.23 0.00 0.00 176.35 178.05 3moc s ALA 131 N -1.16 2.04 0.43 4.21 0.00 -1.26 -4.88 121.76 121.14 3moc s ALA 131 Ca 0.33 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 3moc s ALA 131 Cb -0.21 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.33 3moc s ALA 131 CO 0.22 -2.00 0.77 -1.71 0.00 0.00 0.00 175.76 173.05 3moc n ASN 132 N -2.91 0.12 -1.57 0.00 5.15 -1.26 -2.48 115.26 112.31 3moc n ASN 132 Ca 0.13 0.96 -0.16 0.00 -0.60 0.00 0.00 54.58 54.91 3moc n ASN 132 Cb 0.50 -1.23 -0.04 0.00 -0.53 0.00 0.00 39.78 38.49 3moc n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3moc n ASN 133 N 0.83 -4.93 -4.76 1.20 5.15 0.23 -4.94 115.26 108.04 3moc n ASN 133 Ca 0.11 0.19 -0.40 0.00 -0.60 0.00 0.00 54.58 53.88 3moc n ASN 133 Cb 0.40 -3.96 -0.04 0.00 -0.53 0.00 0.00 39.78 35.65 3moc n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3moc s SER 134 N -2.54 7.10 -0.06 1.20 0.01 -1.04 -4.63 113.70 113.74 3moc s SER 134 Ca 0.00 2.31 -0.30 0.00 1.31 0.00 0.00 55.95 59.27 3moc s SER 134 Cb 0.00 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3moc s SER 134 CO 0.00 -0.27 1.31 -2.16 0.41 0.00 0.00 173.24 172.54 3moc s PRO 135 N -1.65 4.29 0.05 12.44 0.04 -1.26 -1.30 135.00 147.61 3moc s PRO 135 Ca 0.47 1.81 -0.00 0.00 0.04 0.00 0.00 61.00 63.32 3moc s PRO 135 Cb -0.32 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.56 3moc s PRO 135 CO 0.41 -0.57 -0.03 0.00 0.04 0.00 0.00 177.00 176.85 3moc s TYR 137 N -3.22 2.12 -0.01 0.00 2.02 -0.25 -0.48 117.35 117.54 3moc s TYR 137 Ca 0.01 -0.65 -0.07 0.00 -0.37 0.00 0.00 57.07 56.00 3moc s TYR 137 Cb 0.03 -1.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.13 3moc s TYR 137 CO -0.07 -0.21 0.26 -1.50 -1.57 0.00 0.00 175.55 172.46 3moc s ILE 138 N -0.02 5.31 0.09 2.71 2.07 -0.36 -0.84 121.20 130.15 3moc s ILE 138 Ca -0.05 0.20 0.06 0.00 -1.41 0.00 0.00 60.65 59.45 3moc s ILE 138 Cb -0.13 -3.56 -0.03 0.00 0.13 0.00 0.00 42.46 38.87 3moc s ILE 138 CO 0.03 0.40 -0.16 0.42 -1.91 0.00 0.00 174.94 173.73 3moc s THR 139 N -1.26 1.29 0.00 4.00 -4.23 -1.22 -1.17 115.64 113.05 3moc s THR 139 Ca 0.26 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 3moc s THR 139 Cb -0.13 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.46 3moc s THR 139 CO 0.15 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3moc n GLY 140 N 1.14 -0.37 1.30 3.99 0.00 -0.54 -4.51 105.19 106.19 3moc n GLY 140 Ca -0.20 -1.20 0.01 0.00 0.00 0.00 0.00 46.02 44.63 3moc n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3moc n TRP 141 N -0.76 1.45 -0.76 1.61 8.01 -1.26 -1.64 117.44 124.09 3moc n TRP 141 Ca 0.00 -1.14 -0.25 0.00 -1.31 0.00 0.00 57.50 54.81 3moc n TRP 141 Cb 0.00 -0.47 0.21 0.00 -2.01 0.00 0.00 31.31 29.04 3moc n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3moc n GLY 142 N -0.53 -3.02 3.71 6.99 0.00 -1.25 -2.43 105.19 108.67 3moc n GLY 142 Ca 0.30 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 3moc n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3moc n LEU 143 N 0.00 4.63 -0.25 0.99 4.77 -0.05 -2.69 117.00 124.41 3moc n LEU 143 Ca 0.12 1.03 0.12 0.00 -0.03 0.00 0.00 56.01 57.25 3moc n LEU 143 Cb 0.48 -1.52 0.21 0.00 -2.33 0.00 0.00 43.42 40.26 3moc n LEU 143 CO 0.33 -0.72 0.46 0.35 -1.33 0.00 0.00 177.39 176.48 3moc n THR 144 N -0.69 0.00 -3.72 -5.08 -2.24 -0.94 -1.42 114.28 100.19 3moc n THR 144 Ca 0.09 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3moc n THR 144 Cb 0.42 0.66 -0.08 0.00 -2.10 0.00 0.00 70.33 69.23 3moc n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3moc s ARG 145 N -2.62 0.77 0.11 -0.78 0.52 -1.26 -4.28 118.95 111.41 3moc s ARG 145 Ca 0.19 -0.25 -0.36 0.00 -0.52 0.00 0.00 55.73 54.79 3moc s ARG 145 Cb 0.18 0.34 -0.16 0.00 0.52 0.00 0.00 34.95 35.83 3moc s ARG 145 CO 0.60 -0.23 1.31 2.41 0.02 0.00 0.00 175.30 179.40 3moc n THR 147 N 0.96 0.22 -2.30 0.02 -1.04 -1.26 -0.27 114.28 110.61 3moc n THR 147 Ca -0.20 -0.06 -0.17 0.00 -2.04 0.00 0.00 64.05 61.59 3moc n THR 147 Cb 0.57 -0.86 -0.02 0.00 -1.82 0.00 0.00 70.33 68.21 3moc n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3moc n ASN 148 N 2.43 -4.86 -0.32 8.00 3.02 -1.26 -4.96 115.26 117.31 3moc n ASN 148 Ca 0.17 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 3moc n ASN 148 Cb 0.21 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.26 3moc n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3moc n GLY 149 N -0.84 1.77 3.38 7.41 0.00 0.62 -5.13 105.19 112.41 3moc n GLY 149 Ca -0.19 -1.81 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 3moc n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3moc s GLN 150 N 3.64 1.43 0.61 1.61 -2.07 -1.26 -4.92 119.66 118.71 3moc s GLN 150 Ca 0.00 -1.58 -0.19 0.00 -1.82 0.00 0.00 55.36 51.77 3moc s GLN 150 Cb 0.00 -1.44 -0.02 0.00 -1.09 0.00 0.00 33.01 30.46 3moc s GLN 150 CO 0.00 0.27 1.30 1.28 -1.32 0.00 0.00 175.29 176.82 3moc n LEU 151 N -0.19 5.77 -4.76 2.60 4.77 -1.26 -2.23 117.00 121.69 3moc n LEU 151 Ca -0.09 0.88 -0.33 0.00 -0.03 0.00 0.00 56.01 56.44 3moc n LEU 151 Cb 0.59 -1.56 0.05 0.00 -2.33 0.00 0.00 43.42 40.18 3moc n LEU 151 CO 0.34 -0.90 0.74 0.00 -1.33 0.00 0.00 177.39 176.23 3moc s ALA 152 N -1.36 2.42 -0.11 -1.18 0.00 -1.02 -4.84 121.76 115.67 3moc s ALA 152 Ca 0.79 0.56 0.16 0.00 0.00 0.00 0.00 51.96 53.48 3moc s ALA 152 Cb -0.39 -3.33 -0.20 0.00 0.00 0.00 0.00 23.12 19.19 3moc s ALA 152 CO 0.43 -1.37 0.58 1.04 0.00 0.00 0.00 175.76 176.45 3moc n GLN 153 N -2.51 0.64 -4.48 0.00 6.02 -1.26 -4.80 117.38 110.99 3moc n GLN 153 Ca 0.11 0.16 -0.29 0.00 -0.01 0.00 0.00 57.00 56.96 3moc n GLN 153 Cb 0.52 -1.72 -0.13 0.00 1.02 0.00 0.00 30.24 29.93 3moc n GLN 153 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3moc s THR 154 N -2.78 2.36 0.16 5.09 -4.23 -1.26 0.21 115.64 115.20 3moc s THR 154 Ca -0.05 -1.62 -0.34 0.00 -1.18 0.00 0.00 61.69 58.49 3moc s THR 154 Cb 0.08 -2.03 -0.15 0.00 1.34 0.00 0.00 72.50 71.75 3moc s THR 154 CO 0.83 0.15 1.45 -0.11 -0.54 0.00 0.00 174.62 176.40 3moc n LEU 155 N 1.08 2.63 -4.66 4.79 7.94 -0.56 -4.86 117.00 123.36 3moc n LEU 155 Ca -0.17 1.11 -0.27 0.00 -1.11 0.00 0.00 56.01 55.57 3moc n LEU 155 Cb 0.53 -1.36 -0.08 0.00 0.53 0.00 0.00 43.42 43.04 3moc n LEU 155 CO 0.24 -0.59 -0.33 -1.10 -1.11 0.00 0.00 177.39 174.50 3moc s GLN 156 N 0.41 2.39 0.03 1.96 -1.52 -0.65 -1.30 119.66 120.98 3moc s GLN 156 Ca 0.77 -1.11 0.02 0.00 -1.95 0.00 0.00 55.36 53.09 3moc s GLN 156 Cb -0.75 -2.35 -0.02 0.00 -0.22 0.00 0.00 33.01 29.67 3moc s GLN 156 CO 0.44 0.45 -0.07 1.14 -0.25 0.00 0.00 175.29 177.00 3moc s GLN 157 N -2.94 0.50 -0.01 2.91 -2.07 0.24 -1.47 119.66 116.83 3moc s GLN 157 Ca 0.27 -0.60 -0.01 0.00 -1.82 0.00 0.00 55.36 53.19 3moc s GLN 157 Cb -0.09 -0.33 0.00 0.00 -1.09 0.00 0.00 33.01 31.50 3moc s GLN 157 CO 0.18 0.07 0.03 0.00 -1.32 0.00 0.00 175.29 174.26 3moc s ALA 158 N -1.04 -0.07 -0.25 2.60 0.00 -0.32 -0.50 121.76 122.18 3moc s ALA 158 Ca -0.07 -0.00 -0.26 0.00 0.00 0.00 0.00 51.96 51.64 3moc s ALA 158 Cb -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 3moc s ALA 158 CO 0.00 -0.05 0.88 -0.47 0.00 0.00 0.00 175.76 176.13 3moc s TYR 159 N -0.25 3.29 -0.28 0.00 5.04 -1.26 -1.22 117.35 122.67 3moc s TYR 159 Ca -0.03 1.17 -0.02 0.00 -2.44 0.00 0.00 57.07 55.74 3moc s TYR 159 Cb -0.02 -3.15 0.09 0.00 0.35 0.00 0.00 41.96 39.23 3moc s TYR 159 CO -0.00 -0.46 0.09 -0.51 -1.34 0.00 0.00 175.55 173.34 3moc s LEU 160 N 2.97 1.53 0.34 6.97 1.43 0.36 -4.96 118.68 127.33 3moc s LEU 160 Ca 0.37 -1.37 -0.29 0.00 -1.03 0.00 0.00 54.13 51.81 3moc s LEU 160 Cb -0.15 -0.66 -0.11 0.00 0.03 0.00 0.00 46.19 45.31 3moc s LEU 160 CO 0.08 -0.40 1.41 -2.84 0.23 0.00 0.00 176.35 174.83 3moc s PRO 161 N 1.81 4.24 0.65 1.29 0.02 -1.26 -3.61 135.00 138.13 3moc s PRO 161 Ca 0.07 2.39 -0.16 0.00 0.02 0.00 0.00 61.00 63.32 3moc s PRO 161 Cb -0.17 -3.03 -0.00 0.00 0.02 0.00 0.00 34.50 31.31 3moc s PRO 161 CO -0.25 -0.38 1.12 0.95 -0.33 0.00 0.00 177.00 178.11 3moc s THR 162 N -0.92 3.15 -0.17 0.99 -4.23 -0.42 -0.46 115.64 113.57 3moc s THR 162 Ca 0.53 0.56 0.01 0.00 -1.18 0.00 0.00 61.69 61.60 3moc s THR 162 Cb -0.43 -3.09 0.03 0.00 1.34 0.00 0.00 72.50 70.35 3moc s THR 162 CO 0.55 -0.31 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.51 3moc s VAL 163 N -2.23 1.62 0.77 2.29 1.01 -0.09 -0.60 120.40 123.16 3moc s VAL 163 Ca 0.68 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 3moc s VAL 163 Cb -0.22 -1.59 0.05 0.00 0.00 0.00 0.00 36.38 34.63 3moc s VAL 163 CO 0.40 0.34 1.10 1.51 0.00 0.00 0.00 175.10 178.45 3moc s ASP 164 N 1.44 4.50 0.30 3.32 1.47 -1.26 -4.05 116.67 122.38 3moc s ASP 164 Ca 0.02 1.85 0.04 0.00 1.18 0.00 0.00 52.55 55.65 3moc s ASP 164 Cb -0.14 -2.53 0.65 0.00 -0.34 0.00 0.00 42.92 40.56 3moc s ASP 164 CO -0.10 -2.04 1.81 0.22 0.68 0.00 0.00 175.17 175.74 3moc h TYR 165 N -1.05 1.10 -0.93 2.11 3.20 -1.94 0.24 116.97 119.70 3moc h TYR 165 Ca -0.44 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.48 3moc h TYR 165 Cb 1.23 -0.34 -0.05 0.00 1.54 0.00 0.00 36.73 39.12 3moc h TYR 165 CO 0.57 0.36 0.62 0.00 -1.64 0.00 0.00 178.16 178.07 3moc h ALA 166 N 1.59 1.19 0.05 1.82 0.00 -1.98 -0.83 119.26 121.10 3moc h ALA 166 Ca 0.53 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.28 3moc h ALA 166 Cb 0.68 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3moc h ALA 166 CO -0.31 0.57 -0.42 0.82 0.00 0.00 0.00 179.25 179.91 3moc h ILE 167 N 1.26 1.60 0.00 0.00 2.04 -1.42 -3.34 117.51 117.65 3moc h ILE 167 Ca 0.34 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.92 3moc h ILE 167 Cb -0.13 3.09 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 3moc h ILE 167 CO -0.08 0.63 0.00 0.00 0.00 0.00 0.00 178.15 178.70 3moc n SER 169 N -2.97 7.55 0.00 0.00 3.41 -0.33 -0.79 113.62 120.49 3moc n SER 169 Ca 0.01 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.42 3moc n SER 169 Cb 0.30 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 3moc n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3moc n SER 170 N 1.35 0.00 0.00 4.04 3.41 -1.26 -3.28 113.62 117.88 3moc n SER 170 Ca 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3moc n SER 170 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3moc n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3moc n TYR 171 N 0.00 0.00 0.99 7.33 4.02 -1.26 -4.84 117.16 123.41 3moc n TYR 171 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.99 3moc n TYR 171 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.21 3moc n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3moc n TRP 172 N 0.00 0.00 -4.95 -0.72 7.02 0.03 -4.89 117.44 113.93 3moc n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3moc n TRP 172 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3moc n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3moc n GLY 173 N 1.49 2.47 0.00 6.99 0.00 -1.21 -1.92 105.19 113.01 3moc n GLY 173 Ca 0.04 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.69 3moc n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3moc n SER 174 N 0.27 0.00 0.05 1.61 3.41 -1.26 -3.30 113.62 114.40 3moc n SER 174 Ca 0.00 -1.53 -0.12 0.00 -0.26 0.00 0.00 58.87 56.96 3moc n SER 174 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3moc n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3moc h THR 175 N 0.00 0.95 -4.14 6.66 2.02 -1.75 -3.43 112.91 113.21 3moc h THR 175 Ca 0.00 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.69 3moc h THR 175 Cb 0.00 0.95 0.05 0.00 -1.74 0.00 0.00 68.15 67.41 3moc h THR 175 CO 0.00 0.00 0.39 0.54 0.37 0.00 0.00 175.52 176.82 3moc s VAL 176 N -6.18 3.72 0.26 3.16 0.11 -1.21 -4.78 120.40 115.47 3moc s VAL 176 Ca -0.13 0.92 0.04 0.00 -2.93 0.00 0.00 61.98 59.88 3moc s VAL 176 Cb 0.06 -3.39 -0.06 0.00 -1.53 0.00 0.00 36.38 31.47 3moc s VAL 176 CO 0.66 -0.37 -0.00 -0.54 -3.33 0.00 0.00 175.10 171.51 3moc s LYS 177 N -3.70 1.44 0.49 1.54 -0.14 -1.26 -4.99 119.74 113.11 3moc s LYS 177 Ca 0.66 -1.74 0.33 0.00 -1.36 0.00 0.00 55.97 53.86 3moc s LYS 177 Cb -0.17 -0.76 1.56 0.00 -1.68 0.00 0.00 37.83 36.77 3moc s LYS 177 CO 0.30 -0.09 1.99 -0.97 -0.76 0.00 0.00 175.35 175.82 3moc h ASN 178 N 2.37 0.00 0.00 2.83 -1.24 -1.99 -1.77 115.58 115.78 3moc h ASN 178 Ca -0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.62 3moc h ASN 178 Cb 1.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.28 3moc h ASN 178 CO 0.66 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 175.26 3moc n SER 179 N -2.78 0.00 -4.45 1.15 3.41 -1.26 -4.84 113.62 104.86 3moc n SER 179 Ca -0.00 -1.57 -0.23 0.00 -0.26 0.00 0.00 58.87 56.81 3moc n SER 179 Cb 0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.03 3moc n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3moc s MET 180 N -2.00 1.61 -0.03 4.33 -1.94 -0.67 -1.06 119.30 119.55 3moc s MET 180 Ca 0.10 -1.76 0.06 0.00 -1.71 0.00 0.00 55.69 52.37 3moc s MET 180 Cb 0.04 -1.55 -0.01 0.00 2.01 0.00 0.00 34.83 35.33 3moc s MET 180 CO 0.07 0.23 -0.20 0.08 -0.01 0.00 0.00 175.02 175.20 3moc s VAL 181 N -2.69 1.60 0.07 -6.03 1.01 0.27 -4.67 120.40 109.96 3moc s VAL 181 Ca 0.29 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.47 3moc s VAL 181 Cb -0.02 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3moc s VAL 181 CO 0.13 0.45 -0.04 0.00 0.00 0.00 0.00 175.10 175.64 3moc s ALA 183 N -1.21 -0.85 0.00 0.00 0.00 -0.89 -0.91 121.76 117.90 3moc s ALA 183 Ca 0.22 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3moc s ALA 183 Cb -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.71 3moc s ALA 183 CO 0.14 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3moc n GLY 184 N 2.18 0.79 1.76 0.00 0.00 0.39 -1.82 105.19 108.49 3moc n GLY 184 Ca -0.17 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3moc n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3moc n GLY 185 N 0.00 0.53 0.00 -0.02 0.00 -1.26 -4.68 105.19 99.76 3moc n GLY 185 Ca 0.00 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.87 3moc n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3moc n ASP 186 N 0.49 0.00 0.00 1.61 3.85 -1.26 -1.45 116.55 119.79 3moc n ASP 186 Ca 0.00 0.13 0.00 0.00 -0.71 0.00 0.00 54.79 54.21 3moc n ASP 186 Cb 0.00 -0.36 0.00 0.00 -1.35 0.00 0.00 41.12 39.41 3moc n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3moc n GLY 187 N 0.90 1.05 0.09 6.12 0.00 -1.26 -4.76 105.19 107.33 3moc n GLY 187 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 3moc n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3moc n VAL 188 N -2.00 0.38 -5.19 1.61 0.31 -1.26 -4.65 118.33 107.52 3moc n VAL 188 Ca 0.00 -0.14 -0.32 0.00 -0.01 0.00 0.00 64.34 63.87 3moc n VAL 188 Cb 0.00 -0.80 -0.15 0.00 -0.91 0.00 0.00 33.84 31.98 3moc n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3moc s ARG 188 N -2.13 2.27 -0.14 5.55 0.52 -1.26 -3.83 118.95 119.93 3moc s ARG 188 Ca -0.09 -0.86 -0.34 0.00 -0.52 0.00 0.00 55.73 53.92 3moc s ARG 188 Cb 0.02 -2.15 0.13 0.00 0.52 0.00 0.00 34.95 33.48 3moc s ARG 188 CO 0.15 0.55 1.21 0.45 0.02 0.00 0.00 175.30 177.69 3moc s SER 189 N -0.58 -0.13 1.05 0.23 0.15 -0.90 -4.29 113.70 109.22 3moc s SER 189 Ca 0.09 -0.04 -0.14 0.00 0.70 0.00 0.00 55.95 56.56 3moc s SER 189 Cb -0.11 0.16 0.21 0.00 -1.71 0.00 0.00 66.02 64.58 3moc s SER 189 CO -0.00 -0.27 1.10 -0.83 1.20 0.00 0.00 173.24 174.44 3moc s GLY 190 N -2.39 1.57 0.00 9.45 0.00 -1.26 -0.88 107.32 113.81 3moc s GLY 190 Ca 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.31 3moc s GLY 190 CO -0.04 0.16 0.00 0.00 0.00 0.00 0.00 173.10 173.22 3moc s GLN 192 N 1.07 4.61 0.00 0.00 1.11 -1.26 -2.98 119.66 122.21 3moc s GLN 192 Ca 0.00 1.61 0.00 0.00 0.01 0.00 0.00 55.36 56.98 3moc s GLN 192 Cb 0.00 -3.33 0.00 0.00 -1.01 0.00 0.00 33.01 28.67 3moc s GLN 192 CO 0.00 0.08 0.00 0.41 0.01 0.00 0.00 175.29 175.79 3moc n GLY 193 N 2.30 0.71 0.06 3.09 0.00 -1.26 -0.87 105.19 109.23 3moc n GLY 193 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 3moc n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3moc n ASP 194 N 0.00 0.62 -4.57 1.61 8.00 -1.16 -3.96 116.55 117.10 3moc n ASP 194 Ca 0.00 0.06 -0.41 0.00 0.71 0.00 0.00 54.79 55.15 3moc n ASP 194 Cb 0.00 0.76 0.01 0.00 -0.02 0.00 0.00 41.12 41.87 3moc n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3moc n SER 195 N -2.30 0.73 0.00 -2.24 7.64 -1.26 -1.65 113.62 114.55 3moc n SER 195 Ca 0.00 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.89 3moc n SER 195 Cb 0.50 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 3moc n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3moc n GLY 196 N 1.33 3.19 3.89 0.23 0.00 0.01 -1.07 105.19 112.78 3moc n GLY 196 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3moc n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3moc s GLY 197 N -1.94 1.61 0.42 -0.02 0.00 -0.66 -3.23 107.32 103.51 3moc s GLY 197 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 44.72 44.12 3moc s GLY 197 CO 0.00 -0.04 0.85 2.56 0.00 0.00 0.00 173.10 176.47 3moc s PRO 198 N -5.44 3.94 -0.26 2.90 0.04 -1.26 -0.28 135.00 134.64 3moc s PRO 198 Ca 0.60 0.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.32 3moc s PRO 198 Cb -0.11 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 3moc s PRO 198 CO 0.51 -0.06 0.05 -1.17 0.04 0.00 0.00 177.00 176.36 3moc s LEU 199 N -3.62 3.47 -0.22 -3.56 2.96 -0.48 -3.39 118.68 113.84 3moc s LEU 199 Ca 0.56 -0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 53.92 3moc s LEU 199 Cb -0.10 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3moc s LEU 199 CO 0.26 -0.10 0.10 -1.00 -1.32 0.00 0.00 176.35 174.28 3moc s HIS 200 N 1.53 3.21 0.00 5.38 3.76 -0.02 -1.05 115.29 128.10 3moc s HIS 200 Ca 0.05 -0.04 0.07 0.00 -0.15 0.00 0.00 55.06 54.99 3moc s HIS 200 Cb -0.16 -2.19 -0.02 0.00 1.11 0.00 0.00 32.58 31.32 3moc s HIS 200 CO 0.01 -0.04 -0.20 0.00 -0.85 0.00 0.00 174.74 173.65 3moc s LEU 202 N -0.70 4.07 -0.10 0.00 2.96 -1.17 -1.62 118.68 122.13 3moc s LEU 202 Ca 0.08 0.71 -0.01 0.00 -0.22 0.00 0.00 54.13 54.69 3moc s LEU 202 Cb -0.08 -3.13 0.03 0.00 0.50 0.00 0.00 46.19 43.51 3moc s LEU 202 CO 0.00 -0.64 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.67 3moc s VAL 203 N 3.03 0.66 -1.49 1.68 1.01 0.58 -4.80 120.40 121.09 3moc s VAL 203 Ca 0.34 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 3moc s VAL 203 Cb -0.14 -0.79 0.07 0.00 0.00 0.00 0.00 36.38 35.52 3moc s VAL 203 CO 0.13 0.27 0.96 0.59 0.00 0.00 0.00 175.10 177.04 3moc n ASN 204 N 5.05 -4.38 0.00 3.32 3.02 -1.26 -2.27 115.26 118.74 3moc n ASN 204 Ca -0.09 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 3moc n ASN 204 Cb 0.50 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 3moc n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3moc n GLY 205 N -1.70 1.36 3.32 7.41 0.00 -1.26 -5.01 105.19 109.30 3moc n GLY 205 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3moc n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3moc s GLN 206 N -0.37 1.64 0.11 1.61 -1.52 -0.96 -5.10 119.66 115.06 3moc s GLN 206 Ca 0.00 -1.08 -0.29 0.00 -1.95 0.00 0.00 55.36 52.04 3moc s GLN 206 Cb 0.00 -1.82 -0.06 0.00 -0.22 0.00 0.00 33.01 30.91 3moc s GLN 206 CO 0.00 0.47 0.91 0.71 -0.25 0.00 0.00 175.29 177.13 3moc s TYR 207 N -0.83 3.81 0.15 0.91 2.02 -1.26 -0.31 117.35 121.84 3moc s TYR 207 Ca 0.11 1.74 0.05 0.00 -0.37 0.00 0.00 57.07 58.59 3moc s TYR 207 Cb -0.10 -2.99 -0.04 0.00 -0.40 0.00 0.00 41.96 38.43 3moc s TYR 207 CO 0.02 0.25 -0.11 0.00 -1.57 0.00 0.00 175.55 174.14 3moc s ALA 208 N -0.12 1.48 -0.51 3.71 0.00 -0.64 -4.74 121.76 120.95 3moc s ALA 208 Ca 0.44 -1.46 -0.23 0.00 0.00 0.00 0.00 51.96 50.72 3moc s ALA 208 Cb -0.23 0.02 0.04 0.00 0.00 0.00 0.00 23.12 22.95 3moc s ALA 208 CO 0.28 -0.05 0.82 0.08 0.00 0.00 0.00 175.76 176.89 3moc s VAL 209 N -3.08 4.58 -0.32 0.00 1.01 -0.03 -0.85 120.40 121.70 3moc s VAL 209 Ca 0.15 0.15 0.22 0.00 0.00 0.00 0.00 61.98 62.51 3moc s VAL 209 Cb 0.01 -4.42 -0.22 0.00 0.00 0.00 0.00 36.38 31.75 3moc s VAL 209 CO 0.01 -0.92 0.75 1.41 0.00 0.00 0.00 175.10 176.35 3moc n HIS 210 N 6.95 0.21 -3.98 5.22 8.25 -0.22 -4.22 115.22 127.44 3moc n HIS 210 Ca 0.00 0.06 -0.09 0.00 -0.26 0.00 0.00 57.72 57.43 3moc n HIS 210 Cb 0.47 -0.49 -0.10 0.00 1.12 0.00 0.00 29.99 30.99 3moc n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3moc s GLY 211 N -4.09 0.24 -0.20 -1.41 0.00 -1.19 -1.68 107.32 98.99 3moc s GLY 211 Ca -0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 3moc s GLY 211 CO 0.86 -0.73 -0.12 0.14 0.00 0.00 0.00 173.10 173.25 3moc s VAL 212 N -2.03 2.74 0.17 1.40 1.01 -0.54 -1.39 120.40 121.77 3moc s VAL 212 Ca -0.10 -0.71 -0.32 0.00 0.00 0.00 0.00 61.98 60.85 3moc s VAL 212 Cb -0.05 -2.21 -0.11 0.00 0.00 0.00 0.00 36.38 34.01 3moc s VAL 212 CO -0.03 0.48 1.71 -0.89 0.00 0.00 0.00 175.10 176.38 3moc s THR 213 N 1.36 2.31 -0.00 3.92 2.01 0.61 -0.69 115.64 125.16 3moc s THR 213 Ca 0.05 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.15 3moc s THR 213 Cb -0.14 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 3moc s THR 213 CO -0.08 0.01 -0.06 -0.24 -0.69 0.00 0.00 174.62 173.56 3moc n SER 214 N 4.44 0.80 -3.58 3.53 2.88 -0.17 -0.81 113.62 120.71 3moc n SER 214 Ca 0.16 0.12 -0.11 0.00 -1.33 0.00 0.00 58.87 57.71 3moc n SER 214 Cb 0.37 -0.28 -0.04 0.00 -0.75 0.00 0.00 64.21 63.51 3moc n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3moc s PHE 215 N -2.13 -0.30 0.42 0.66 -0.71 -0.84 -4.96 117.98 110.13 3moc s PHE 215 Ca -0.06 0.02 0.03 0.00 -1.04 0.00 0.00 56.93 55.88 3moc s PHE 215 Cb 0.02 0.38 -0.02 0.00 -1.21 0.00 0.00 43.02 42.18 3moc s PHE 215 CO 0.08 -0.78 0.10 0.14 -1.34 0.00 0.00 175.22 173.43 3moc s VAL 216 N -3.80 0.73 0.77 -2.49 -7.23 -1.26 -1.41 120.40 105.71 3moc s VAL 216 Ca 0.03 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.08 3moc s VAL 216 Cb 0.01 -2.33 0.06 0.00 0.56 0.00 0.00 36.38 34.67 3moc s VAL 216 CO -0.11 0.00 1.13 -0.94 -0.31 0.00 0.00 175.10 174.87 3moc s SER 217 N -3.65 4.24 0.48 4.85 1.04 -1.25 -4.91 113.70 114.49 3moc s SER 217 Ca 0.21 2.03 0.26 0.00 0.48 0.00 0.00 55.95 58.94 3moc s SER 217 Cb 0.03 -2.55 1.15 0.00 0.10 0.00 0.00 66.02 64.75 3moc s SER 217 CO 0.13 -2.22 1.92 0.03 0.98 0.00 0.00 173.24 174.08 3moc h ARG 217 N -0.90 0.00 0.18 4.02 3.08 -2.00 -3.24 114.38 115.52 3moc h ARG 217 Ca -0.45 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.30 3moc h ARG 217 Cb 1.25 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.33 3moc h ARG 217 CO 0.49 0.17 -1.34 -0.07 -1.07 0.00 0.00 179.97 178.16 3moc h LEU 218 N 0.00 0.69 0.00 3.04 3.38 -2.05 -3.49 115.31 116.89 3moc h LEU 218 Ca -0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3moc h LEU 218 Cb 0.59 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3moc h LEU 218 CO 0.02 1.55 0.00 0.61 0.09 0.00 0.00 178.44 180.71 3moc n GLY 219 N 1.56 0.48 0.19 0.83 0.00 -1.22 -5.08 105.19 101.95 3moc n GLY 219 Ca -0.13 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 3moc n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3moc s ASN 221 N -4.62 6.90 -0.10 0.00 4.22 -1.26 -4.70 114.94 115.38 3moc s ASN 221 Ca -0.06 -2.69 0.03 0.00 -2.14 0.00 0.00 52.86 48.00 3moc s ASN 221 Cb 0.01 -2.35 -0.01 0.00 1.28 0.00 0.00 41.25 40.18 3moc s ASN 221 CO 0.19 -0.78 -0.21 -0.69 -2.04 0.00 0.00 177.10 173.57 3moc s VAL 221 N 1.40 2.36 0.25 3.54 1.01 -1.26 -4.61 120.40 123.09 3moc s VAL 221 Ca 0.34 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 61.09 3moc s VAL 221 Cb -0.05 -1.92 -0.12 0.00 0.00 0.00 0.00 36.38 34.29 3moc s VAL 221 CO -0.06 0.55 1.65 -0.89 0.00 0.00 0.00 175.10 176.35 3moc s THR 222 N 0.20 2.06 -1.05 3.92 2.01 -1.26 -1.72 115.64 119.80 3moc s THR 222 Ca -0.13 0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.92 3moc s THR 222 Cb -0.16 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.32 3moc s THR 222 CO 0.07 0.01 0.00 0.54 -0.69 0.00 0.00 174.62 174.54 3moc n ARG 223 N 2.99 -1.15 -3.66 4.92 1.74 -0.53 -4.93 116.66 116.04 3moc n ARG 223 Ca 0.12 0.80 -0.27 0.00 -0.77 0.00 0.00 57.85 57.72 3moc n ARG 223 Cb 0.36 -4.90 -0.10 0.00 -1.02 0.00 0.00 32.46 26.80 3moc n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3moc n LYS 224 N -1.78 1.84 -1.56 5.56 4.76 -0.70 -4.26 118.16 122.02 3moc n LYS 224 Ca -0.10 -4.35 -0.35 0.00 -2.87 0.00 0.00 58.31 50.64 3moc n LYS 224 Cb 0.44 -2.16 0.08 0.00 -1.84 0.00 0.00 35.03 31.56 3moc n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3moc s PRO 225 N -1.64 2.31 0.40 1.97 0.04 -1.26 -4.55 135.00 132.27 3moc s PRO 225 Ca 0.31 1.86 -0.27 0.00 0.04 0.00 0.00 61.00 62.94 3moc s PRO 225 Cb 0.04 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 3moc s PRO 225 CO -0.12 -1.73 1.46 2.41 0.04 0.00 0.00 177.00 179.06 3moc n THR 226 N -2.40 2.28 -4.58 1.26 -1.04 -0.76 -4.76 114.28 104.29 3moc n THR 226 Ca 0.14 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.31 3moc n THR 226 Cb 0.50 -1.90 -0.12 0.00 -1.82 0.00 0.00 70.33 66.98 3moc n THR 226 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3moc s VAL 227 N -1.14 3.69 0.04 12.58 1.01 -0.50 -2.10 120.40 133.98 3moc s VAL 227 Ca 0.56 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 62.14 3moc s VAL 227 Cb -0.47 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 3moc s VAL 227 CO 0.62 0.56 -0.18 -0.36 0.00 0.00 0.00 175.10 175.73 3moc s PHE 228 N -0.36 1.61 0.17 5.22 0.08 0.09 -1.00 117.98 123.79 3moc s PHE 228 Ca 0.05 -0.36 -0.32 0.00 0.12 0.00 0.00 56.93 56.42 3moc s PHE 228 Cb -0.12 -0.96 -0.11 0.00 -0.57 0.00 0.00 43.02 41.26 3moc s PHE 228 CO 0.02 0.07 1.64 0.99 -0.10 0.00 0.00 175.22 177.84 3moc s THR 229 N -0.80 2.46 -0.53 0.64 2.01 0.14 -0.57 115.64 118.99 3moc s THR 229 Ca 0.06 0.29 -0.28 0.00 0.31 0.00 0.00 61.69 62.06 3moc s THR 229 Cb -0.08 -3.19 0.02 0.00 0.01 0.00 0.00 72.50 69.26 3moc s THR 229 CO 0.02 0.02 1.33 -0.60 -0.69 0.00 0.00 174.62 174.69 3moc s ARG 230 N 1.36 3.46 0.31 4.92 3.52 -0.23 -1.46 118.95 130.83 3moc s ARG 230 Ca 0.72 0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 56.83 3moc s ARG 230 Cb -0.45 -4.05 0.49 0.00 -1.56 0.00 0.00 34.95 29.38 3moc s ARG 230 CO 0.32 -1.74 1.97 0.28 -0.81 0.00 0.00 175.30 175.32 3moc h VAL 231 N 6.33 1.20 0.00 7.11 2.07 -1.63 -1.97 116.25 129.36 3moc h VAL 231 Ca -0.26 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3moc h VAL 231 Cb 1.08 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3moc h VAL 231 CO 1.16 0.20 0.00 -1.54 0.02 0.00 0.00 177.57 177.40 3moc n SER 232 N -4.41 0.52 0.00 0.57 3.41 -1.26 -0.42 113.62 112.03 3moc n SER 232 Ca 0.08 0.67 0.10 0.00 -0.26 0.00 0.00 58.87 59.46 3moc n SER 232 Cb 0.04 -0.76 0.45 0.00 -0.26 0.00 0.00 64.21 63.68 3moc n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3moc n ALA 233 N -1.73 1.97 -0.71 7.33 0.00 -0.74 -1.73 120.51 124.90 3moc n ALA 233 Ca 0.01 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.40 3moc n ALA 233 Cb 0.14 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.28 3moc n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3moc n TYR 234 N -1.51 0.00 -0.23 0.00 4.02 0.44 -4.80 117.16 115.09 3moc n TYR 234 Ca 0.05 -0.48 -0.02 0.00 -0.01 0.00 0.00 57.90 57.44 3moc n TYR 234 Cb 0.25 -0.07 0.09 0.00 -0.02 0.00 0.00 39.34 39.59 3moc n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3moc h ILE 235 N 1.40 1.01 -0.36 -0.72 1.08 -1.72 0.25 117.51 118.45 3moc h ILE 235 Ca 0.00 -0.25 -0.15 0.00 -0.39 0.00 0.00 64.86 64.07 3moc h ILE 235 Cb 0.84 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 3moc h ILE 235 CO 0.00 0.13 -0.36 0.77 -0.69 0.00 0.00 178.15 178.00 3moc h SER 236 N 0.72 0.94 -0.16 1.72 4.64 -1.92 -1.29 113.55 118.20 3moc h SER 236 Ca 0.29 -0.47 0.04 0.00 -0.47 0.00 0.00 61.79 61.18 3moc h SER 236 Cb 0.13 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 61.91 3moc h SER 236 CO -0.16 1.22 -0.14 -0.25 -0.87 0.00 0.00 176.83 176.63 3moc h TRP 237 N 0.68 -0.34 -0.20 4.77 7.01 -1.83 -0.21 115.95 125.83 3moc h TRP 237 Ca 0.06 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.11 3moc h TRP 237 Cb 0.95 0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 28.17 3moc h TRP 237 CO 0.07 -0.20 0.04 0.82 -2.79 0.00 0.00 178.44 176.37 3moc h ILE 238 N -0.15 0.91 -0.95 2.65 2.04 -0.79 -1.15 117.51 120.06 3moc h ILE 238 Ca 0.10 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.98 3moc h ILE 238 Cb 0.30 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 3moc h ILE 238 CO -0.25 0.02 0.61 0.78 0.00 0.00 0.00 178.15 179.31 3moc h ASN 239 N 0.11 1.00 -0.48 1.72 2.35 -1.03 -1.63 115.58 117.62 3moc h ASN 239 Ca 0.09 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 3moc h ASN 239 Cb 0.09 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3moc h ASN 239 CO -0.12 0.66 -0.02 0.78 -1.65 0.00 0.00 177.43 177.08 3moc h ASN 240 N 1.15 0.85 -0.22 5.81 2.35 -0.53 0.63 115.58 125.61 3moc h ASN 240 Ca 0.40 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3moc h ASN 240 Cb 0.09 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3moc h ASN 240 CO -0.15 0.96 0.02 0.58 -1.65 0.00 0.00 177.43 177.19 3moc h VAL 241 N 0.71 1.24 -0.34 2.81 2.07 -0.86 -1.48 116.25 120.40 3moc h VAL 241 Ca 0.13 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 66.72 3moc h VAL 241 Cb 0.54 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3moc h VAL 241 CO 0.03 0.25 -0.31 0.40 0.02 0.00 0.00 177.57 177.96 3moc h ILE 242 N 0.16 1.28 -0.10 4.57 2.04 -1.17 -1.65 117.51 122.64 3moc h ILE 242 Ca 0.07 -1.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 3moc h ILE 242 Cb 0.35 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3moc h ILE 242 CO 0.01 0.48 -0.25 0.00 0.00 0.00 0.00 178.15 178.38 3moc h ALA 243 N 1.03 1.39 0.07 1.87 0.00 -0.75 -3.03 119.26 119.84 3moc h ALA 243 Ca 0.07 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.46 3moc h ALA 243 Cb 0.83 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3moc h ALA 243 CO 0.07 0.43 -1.10 0.77 0.00 0.00 0.00 179.25 179.42 3moc h SER 244 N 0.16 0.27 -0.02 0.00 0.02 -0.93 -3.51 113.55 109.54 3moc h SER 244 Ca 0.03 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3moc h SER 244 Cb 0.54 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3moc h SER 244 CO 0.04 1.19 0.00 0.59 -1.14 0.00 0.00 176.83 177.50