#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mu8 s VAL 17 N 0.00 4.99 -1.07 2.52 1.01 0.24 -4.19 120.40 123.90 3mu8 s VAL 17 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3mu8 s VAL 17 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3mu8 s VAL 17 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3mu8 n GLY 18 N 2.35 0.26 2.81 4.51 0.00 -1.25 -1.80 105.19 112.07 3mu8 n GLY 18 Ca -0.10 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 3mu8 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mu8 n GLY 19 N -1.15 0.27 3.21 -0.02 0.00 -1.26 -4.81 105.19 101.43 3mu8 n GLY 19 Ca -0.13 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 43.77 3mu8 n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mu8 s THR 20 N -2.35 1.16 0.09 2.61 -4.23 -0.12 -4.91 115.64 107.89 3mu8 s THR 20 Ca 0.49 -1.65 -0.31 0.00 -1.18 0.00 0.00 61.69 59.04 3mu8 s THR 20 Cb -0.02 -1.42 -0.08 0.00 1.34 0.00 0.00 72.50 72.32 3mu8 s THR 20 CO 0.33 -0.45 1.44 -0.70 -0.54 0.00 0.00 174.62 174.70 3mu8 s GLU 21 N -2.63 4.29 0.51 3.99 2.12 -1.26 -0.63 118.70 125.09 3mu8 s GLU 21 Ca 0.07 2.12 -0.20 0.00 0.36 0.00 0.00 54.97 57.31 3mu8 s GLU 21 Cb -0.05 -3.35 -0.07 0.00 0.26 0.00 0.00 34.13 30.93 3mu8 s GLU 21 CO 0.02 -0.52 1.10 0.00 -0.54 0.00 0.00 175.26 175.32 3mu8 s ALA 22 N 1.56 2.79 0.53 6.30 0.00 -0.41 -4.86 121.76 127.68 3mu8 s ALA 22 Ca 0.66 0.76 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 3mu8 s ALA 22 Cb -0.37 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 3mu8 s ALA 22 CO 0.30 -0.59 1.23 -0.65 0.00 0.00 0.00 175.76 176.05 3mu8 s GLN 23 N -3.18 3.29 0.04 0.00 -1.52 -1.26 -4.89 119.66 112.14 3mu8 s GLN 23 Ca 0.70 1.91 0.19 0.00 -1.95 0.00 0.00 55.36 56.21 3mu8 s GLN 23 Cb -0.22 -2.18 0.78 0.00 -0.22 0.00 0.00 33.01 31.18 3mu8 s GLN 23 CO 0.25 -0.97 1.59 2.89 -0.25 0.00 0.00 175.29 178.81 3mu8 n ARG 24 N -1.06 0.03 -0.27 2.91 1.85 -1.26 -2.11 116.66 116.75 3mu8 n ARG 24 Ca 0.11 0.22 0.07 0.00 -1.00 0.00 0.00 57.85 57.25 3mu8 n ARG 24 Cb 0.48 -1.56 0.19 0.00 -1.05 0.00 0.00 32.46 30.52 3mu8 n ARG 24 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3mu8 n ASN 25 N -1.62 3.21 0.08 2.89 0.23 -1.26 -4.72 115.26 114.07 3mu8 n ASN 25 Ca 0.04 -2.65 -0.11 0.00 -0.53 0.00 0.00 54.58 51.33 3mu8 n ASN 25 Cb 0.22 -0.39 -0.04 0.00 -2.08 0.00 0.00 39.78 37.49 3mu8 n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3mu8 h SER 26 N 1.42 0.39 -2.10 0.53 0.02 -1.76 -3.40 113.55 108.65 3mu8 h SER 26 Ca 0.00 -0.33 -0.54 0.00 -0.84 0.00 0.00 61.79 60.08 3mu8 h SER 26 Cb 1.09 -0.12 -0.41 0.00 0.14 0.00 0.00 62.40 63.10 3mu8 h SER 26 CO 0.11 1.14 -0.95 0.79 -1.14 0.00 0.00 176.83 176.78 3mu8 n TRP 27 N -3.68 1.55 1.03 3.45 7.02 -1.26 -4.95 117.44 120.60 3mu8 n TRP 27 Ca -0.05 -3.86 0.10 0.00 -1.02 0.00 0.00 57.50 52.67 3mu8 n TRP 27 Cb 0.84 -0.44 0.54 0.00 -2.42 0.00 0.00 31.31 29.83 3mu8 n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3mu8 n PRO 28 N 0.47 0.34 0.00 -0.99 -0.04 -1.26 -1.95 135.00 131.57 3mu8 n PRO 28 Ca 0.26 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 3mu8 n PRO 28 Cb 0.53 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.85 3mu8 n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mu8 n SER 29 N -1.25 1.05 -4.73 3.54 3.41 -1.22 -1.85 113.62 112.58 3mu8 n SER 29 Ca 0.11 -0.90 -0.42 0.00 -0.26 0.00 0.00 58.87 57.40 3mu8 n SER 29 Cb 0.15 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 3mu8 n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3mu8 s GLN 30 N -2.51 4.43 0.29 4.33 2.00 -0.82 -1.03 119.66 126.35 3mu8 s GLN 30 Ca 0.24 1.92 0.11 0.00 -2.00 0.00 0.00 55.36 55.63 3mu8 s GLN 30 Cb 0.19 -3.26 -0.05 0.00 0.80 0.00 0.00 33.01 30.69 3mu8 s GLN 30 CO 0.52 -0.22 -0.18 0.96 -0.50 0.00 0.00 175.29 175.88 3mu8 s ILE 31 N 0.44 2.45 -0.22 -2.34 -5.25 -0.50 -4.48 121.20 111.29 3mu8 s ILE 31 Ca 0.57 -2.36 -0.06 0.00 -0.99 0.00 0.00 60.65 57.81 3mu8 s ILE 31 Cb -0.33 -2.38 -0.02 0.00 2.95 0.00 0.00 42.46 42.68 3mu8 s ILE 31 CO 0.34 -0.36 0.03 -0.55 -1.79 0.00 0.00 174.94 172.61 3mu8 s SER 32 N -3.53 4.92 -0.24 4.36 0.15 -0.67 -2.42 113.70 116.27 3mu8 s SER 32 Ca 0.31 -0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.59 3mu8 s SER 32 Cb -0.04 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.37 3mu8 s SER 32 CO 0.15 0.02 0.35 -0.22 1.20 0.00 0.00 173.24 174.74 3mu8 s LEU 33 N 1.30 4.10 0.17 3.45 2.96 -0.25 -0.86 118.68 129.54 3mu8 s LEU 33 Ca 0.04 0.36 0.08 0.00 -0.22 0.00 0.00 54.13 54.39 3mu8 s LEU 33 Cb -0.15 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 3mu8 s LEU 33 CO 0.02 -0.10 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.68 3mu8 s GLN 34 N 1.61 1.24 0.19 1.98 -0.21 -0.00 -1.20 119.66 123.28 3mu8 s GLN 34 Ca 0.16 -1.42 0.08 0.00 0.02 0.00 0.00 55.36 54.20 3mu8 s GLN 34 Cb -0.15 -1.20 -0.04 0.00 1.00 0.00 0.00 33.01 32.61 3mu8 s GLN 34 CO 0.08 0.23 -0.16 1.52 -2.12 0.00 0.00 175.29 174.84 3mu8 s TYR 35 N -2.29 1.78 -0.05 0.91 1.13 -0.26 -1.06 117.35 117.49 3mu8 s TYR 35 Ca 0.16 -0.52 -0.29 0.00 -1.41 0.00 0.00 57.07 55.02 3mu8 s TYR 35 Cb -0.04 -0.85 -0.02 0.00 -1.10 0.00 0.00 41.96 39.95 3mu8 s TYR 35 CO 0.06 0.36 0.95 0.50 -2.51 0.00 0.00 175.55 174.91 3mu8 s ARG 36 N -3.28 4.48 -0.36 -3.49 3.52 -0.60 -0.84 118.95 118.40 3mu8 s ARG 36 Ca 0.20 1.32 0.00 0.00 -0.13 0.00 0.00 55.73 57.12 3mu8 s ARG 36 Cb -0.03 -3.49 0.12 0.00 -1.56 0.00 0.00 34.95 29.98 3mu8 s ARG 36 CO 0.07 -0.14 0.16 0.45 -0.81 0.00 0.00 175.30 175.03 3mu8 s SER 36 N 1.03 3.71 1.93 -2.12 0.15 0.05 -4.80 113.70 113.65 3mu8 s SER 36 Ca 0.48 -2.01 0.00 0.00 0.70 0.00 0.00 55.95 55.12 3mu8 s SER 36 Cb -0.19 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 3mu8 s SER 36 CO 0.22 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.92 3mu8 n GLY 36 N 4.34 4.21 0.25 9.45 0.00 -1.26 -0.92 105.19 121.25 3mu8 n GLY 36 Ca 0.03 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.32 3mu8 n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mu8 n SER 36 N 8.07 0.83 -4.63 1.61 2.88 -1.26 -4.94 113.62 116.18 3mu8 n SER 36 Ca 0.00 -1.07 -0.32 0.00 -1.33 0.00 0.00 58.87 56.15 3mu8 n SER 36 Cb 0.00 -0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.38 3mu8 n SER 36 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3mu8 n SER 37 N -0.49 3.06 -4.17 -3.46 2.88 -0.10 -5.15 113.62 106.18 3mu8 n SER 37 Ca 0.18 -3.30 -0.23 0.00 -1.33 0.00 0.00 58.87 54.19 3mu8 n SER 37 Cb 0.28 0.50 -0.14 0.00 -0.75 0.00 0.00 64.21 64.09 3mu8 n SER 37 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3mu8 s TRP 38 N -2.94 1.48 -0.05 0.66 0.52 -1.26 -0.77 118.94 116.58 3mu8 s TRP 38 Ca 0.04 -0.33 0.03 0.00 0.02 0.00 0.00 56.10 55.87 3mu8 s TRP 38 Cb 0.00 -0.91 0.00 0.00 -1.15 0.00 0.00 33.47 31.42 3mu8 s TRP 38 CO 0.03 0.03 -0.15 0.00 0.02 0.00 0.00 176.95 176.88 3mu8 s ALA 39 N -0.65 1.35 0.27 0.98 0.00 -0.02 -4.89 121.76 118.81 3mu8 s ALA 39 Ca 0.05 -0.56 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 3mu8 s ALA 39 Cb -0.07 -0.50 -0.11 0.00 0.00 0.00 0.00 23.12 22.43 3mu8 s ALA 39 CO 0.01 0.21 1.56 -1.58 0.00 0.00 0.00 175.76 175.95 3mu8 s HIS 40 N 0.26 2.84 0.00 0.00 2.46 -1.26 -1.11 115.29 118.48 3mu8 s HIS 40 Ca -0.07 0.81 0.00 0.00 0.47 0.00 0.00 55.06 56.27 3mu8 s HIS 40 Cb -0.12 -4.00 0.00 0.00 -0.13 0.00 0.00 32.58 28.32 3mu8 s HIS 40 CO 0.03 -3.39 0.00 -2.37 -2.47 0.00 0.00 174.74 166.53 3mu8 n THR 41 N 2.39 0.00 -3.80 0.89 5.66 -0.34 -4.92 114.28 114.16 3mu8 n THR 41 Ca 0.08 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.08 3mu8 n THR 41 Cb 0.38 -0.09 0.01 0.00 -1.55 0.00 0.00 70.33 69.09 3mu8 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mu8 n GLY 43 N -0.50 2.48 3.90 0.00 0.00 0.00 -1.09 105.19 109.97 3mu8 n GLY 43 Ca -0.00 -2.26 -0.02 0.00 0.00 0.00 0.00 46.02 43.74 3mu8 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mu8 s GLY 44 N -4.00 0.08 -0.09 -0.02 0.00 -1.02 -3.68 107.32 98.60 3mu8 s GLY 44 Ca 0.36 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.81 3mu8 s GLY 44 CO 0.23 2.84 -0.12 -1.59 0.00 0.00 0.00 173.10 174.46 3mu8 s THR 45 N -2.15 1.22 -0.11 0.90 2.01 0.09 -1.41 115.64 116.18 3mu8 s THR 45 Ca 0.23 -0.49 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 3mu8 s THR 45 Cb -0.02 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 3mu8 s THR 45 CO 0.04 0.38 1.39 -0.22 -0.69 0.00 0.00 174.62 175.52 3mu8 s LEU 46 N 0.95 4.24 -0.01 4.42 2.96 -0.20 -0.48 118.68 130.56 3mu8 s LEU 46 Ca -0.09 1.90 0.05 0.00 -0.22 0.00 0.00 54.13 55.77 3mu8 s LEU 46 Cb -0.15 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 3mu8 s LEU 46 CO 0.00 -0.80 0.10 2.30 -1.32 0.00 0.00 176.35 176.64 3mu8 n ILE 47 N 5.30 0.02 -4.20 6.68 -5.35 -0.26 -0.13 119.36 121.42 3mu8 n ILE 47 Ca 0.15 -0.11 -0.12 0.00 -0.27 0.00 0.00 62.75 62.39 3mu8 n ILE 47 Cb 0.44 0.32 -0.10 0.00 -1.74 0.00 0.00 39.64 38.56 3mu8 n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3mu8 s ARG 48 N -2.32 1.08 0.50 6.28 1.81 -1.00 -4.73 118.95 120.57 3mu8 s ARG 48 Ca -0.02 -1.54 0.34 0.00 -1.72 0.00 0.00 55.73 52.79 3mu8 s ARG 48 Cb 0.03 0.07 1.79 0.00 -0.45 0.00 0.00 34.95 36.39 3mu8 s ARG 48 CO 0.20 -0.26 2.03 1.96 -0.68 0.00 0.00 175.30 178.54 3mu8 h GLN 49 N 2.72 0.00 0.00 3.54 4.20 -1.95 -2.53 115.11 121.09 3mu8 h GLN 49 Ca -0.36 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 3mu8 h GLN 49 Cb 1.22 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.96 3mu8 h GLN 49 CO 0.59 0.00 -0.32 0.27 -0.67 0.00 0.00 178.83 178.70 3mu8 n ASN 50 N -2.70 1.48 -3.90 1.46 6.94 -1.26 -1.41 115.26 115.88 3mu8 n ASN 50 Ca -0.02 -2.83 -0.14 0.00 -0.02 0.00 0.00 54.58 51.57 3mu8 n ASN 50 Cb 0.07 -0.37 -0.14 0.00 -2.36 0.00 0.00 39.78 36.98 3mu8 n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3mu8 s TRP 51 N -1.89 0.19 -0.02 -2.53 0.52 -0.95 -0.59 118.94 113.66 3mu8 s TRP 51 Ca 0.25 -0.03 0.07 0.00 0.02 0.00 0.00 56.10 56.41 3mu8 s TRP 51 Cb 0.23 -0.14 -0.02 0.00 -1.15 0.00 0.00 33.47 32.40 3mu8 s TRP 51 CO -0.01 -0.01 -0.24 0.08 0.02 0.00 0.00 176.95 176.78 3mu8 s VAL 52 N 0.04 1.89 -0.18 4.03 1.01 -0.17 -1.10 120.40 125.91 3mu8 s VAL 52 Ca -0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 3mu8 s VAL 52 Cb -0.02 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3mu8 s VAL 52 CO -0.00 0.53 0.09 -0.32 0.00 0.00 0.00 175.10 175.40 3mu8 s MET 53 N -0.50 4.02 0.18 2.72 1.75 0.37 -0.35 119.30 127.50 3mu8 s MET 53 Ca 0.08 -0.29 0.01 0.00 -1.25 0.00 0.00 55.69 54.24 3mu8 s MET 53 Cb -0.10 -3.28 -0.00 0.00 2.84 0.00 0.00 34.83 34.29 3mu8 s MET 53 CO -0.00 0.31 0.21 -2.37 -0.65 0.00 0.00 175.02 172.52 3mu8 n THR 54 N 3.45 0.00 -3.05 10.11 5.66 -0.50 -0.73 114.28 129.22 3mu8 n THR 54 Ca -0.16 -1.12 -0.37 0.00 -3.05 0.00 0.00 64.05 59.34 3mu8 n THR 54 Cb 0.52 0.62 -0.06 0.00 -1.55 0.00 0.00 70.33 69.86 3mu8 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mu8 s ALA 55 N -2.46 3.41 0.26 1.79 0.00 -1.26 -1.01 121.76 122.50 3mu8 s ALA 55 Ca 0.18 0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 3mu8 s ALA 55 Cb 0.00 -2.88 0.41 0.00 0.00 0.00 0.00 23.12 20.65 3mu8 s ALA 55 CO 0.13 0.31 1.87 0.00 0.00 0.00 0.00 175.76 178.07 3mu8 h ALA 56 N 3.65 1.37 0.00 0.00 0.00 -1.69 -2.35 119.26 120.23 3mu8 h ALA 56 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3mu8 h ALA 56 Cb 1.20 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3mu8 h ALA 56 CO 0.65 0.40 0.00 1.12 0.00 0.00 0.00 179.25 181.42 3mu8 h HIS 57 N 1.13 0.00 0.00 0.00 2.07 -1.93 -1.67 115.15 114.75 3mu8 h HIS 57 Ca 0.43 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.89 3mu8 h HIS 57 Cb 0.20 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.17 3mu8 h HIS 57 CO -0.01 0.00 -0.30 0.00 -3.07 0.00 0.00 177.93 174.56 3mu8 n VAL 59 N -3.49 2.38 -0.06 0.00 0.24 -0.64 -4.59 118.33 112.17 3mu8 n VAL 59 Ca -0.00 -2.42 -0.08 0.00 -2.04 0.00 0.00 64.34 59.80 3mu8 n VAL 59 Cb 0.46 -0.29 0.09 0.00 -1.47 0.00 0.00 33.84 32.64 3mu8 n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3mu8 h ASP 60 N 1.16 0.73 -4.03 -1.34 3.45 -1.44 -3.44 116.42 111.50 3mu8 h ASP 60 Ca 0.11 -0.28 -0.45 0.00 0.43 0.00 0.00 57.03 56.85 3mu8 h ASP 60 Cb 1.49 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 40.04 3mu8 h ASP 60 CO 0.27 0.97 0.34 -0.13 -1.57 0.00 0.00 179.24 179.13 3mu8 s ARG 61 N -4.49 4.26 -1.12 3.56 0.52 -1.26 -4.94 118.95 115.48 3mu8 s ARG 61 Ca -0.09 1.16 -0.07 0.00 -0.52 0.00 0.00 55.73 56.21 3mu8 s ARG 61 Cb 0.13 -2.27 -0.05 0.00 0.52 0.00 0.00 34.95 33.28 3mu8 s ARG 61 CO 0.83 -0.00 2.92 0.39 0.02 0.00 0.00 175.30 179.46 3mu8 n GLU 62 N -0.48 3.49 -3.26 3.54 -0.58 -1.26 -4.92 120.64 117.18 3mu8 n GLU 62 Ca 0.06 -2.32 -0.18 0.00 -0.42 0.00 0.00 57.16 54.30 3mu8 n GLU 62 Cb 0.53 -2.54 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 3mu8 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3mu8 s LEU 63 N -0.71 3.78 -0.19 -4.62 1.43 -1.26 -5.09 118.68 112.02 3mu8 s LEU 63 Ca 0.64 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 53.18 3mu8 s LEU 63 Cb 0.23 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 3mu8 s LEU 63 CO -0.08 -0.60 0.72 -0.89 0.23 0.00 0.00 176.35 175.73 3mu8 s THR 64 N -2.28 4.95 0.12 5.49 2.01 -1.26 -5.02 115.64 119.66 3mu8 s THR 64 Ca 0.50 1.38 0.08 0.00 0.31 0.00 0.00 61.69 63.96 3mu8 s THR 64 Cb -0.09 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 3mu8 s THR 64 CO 0.32 0.06 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.82 3mu8 s PHE 65 N 2.08 2.63 0.08 4.92 0.08 -1.26 -1.55 117.98 124.95 3mu8 s PHE 65 Ca 0.33 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.17 3mu8 s PHE 65 Cb -0.16 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 3mu8 s PHE 65 CO 0.11 0.42 -0.06 -0.98 -0.10 0.00 0.00 175.22 174.61 3mu8 s ARG 65 N -2.29 0.73 -0.03 0.44 1.70 -0.23 -2.96 118.95 116.32 3mu8 s ARG 65 Ca 0.20 -1.21 0.02 0.00 -0.47 0.00 0.00 55.73 54.28 3mu8 s ARG 65 Cb -0.10 -0.12 -0.03 0.00 -0.57 0.00 0.00 34.95 34.12 3mu8 s ARG 65 CO 0.12 -0.03 -0.05 0.08 -1.08 0.00 0.00 175.30 174.34 3mu8 s VAL 66 N -3.30 3.81 -0.20 4.99 1.01 0.02 -0.82 120.40 125.91 3mu8 s VAL 66 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3mu8 s VAL 66 Cb 0.03 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.80 3mu8 s VAL 66 CO -0.05 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 174.67 3mu8 s VAL 67 N -0.95 2.34 0.17 2.92 1.01 -0.04 -1.32 120.40 124.53 3mu8 s VAL 67 Ca 0.16 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.27 3mu8 s VAL 67 Cb -0.11 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3mu8 s VAL 67 CO 0.06 0.46 0.15 0.68 0.00 0.00 0.00 175.10 176.44 3mu8 s VAL 68 N 1.31 4.50 -0.90 2.92 -7.23 -0.71 -1.67 120.40 118.63 3mu8 s VAL 68 Ca 0.04 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 3mu8 s VAL 68 Cb -0.14 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.48 3mu8 s VAL 68 CO -0.10 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 3mu8 n GLY 69 N -0.45 0.70 3.83 2.32 0.00 -1.25 -1.32 105.19 109.01 3mu8 n GLY 69 Ca -0.08 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 3mu8 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mu8 s GLU 70 N -3.37 3.99 0.00 1.61 2.56 -1.26 -3.44 118.70 118.79 3mu8 s GLU 70 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 54.97 55.46 3mu8 s GLU 70 Cb 0.00 -3.23 0.00 0.00 2.00 0.00 0.00 34.13 32.90 3mu8 s GLU 70 CO 0.00 0.67 0.00 1.58 -0.56 0.00 0.00 175.26 176.95 3mu8 n HIS 71 N 1.84 0.00 -3.96 5.30 -0.00 -1.26 -4.94 115.22 112.19 3mu8 n HIS 71 Ca -0.13 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.25 3mu8 n HIS 71 Cb 0.52 0.14 -0.14 0.00 -0.00 0.00 0.00 29.99 30.50 3mu8 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3mu8 s ASN 72 N -4.84 4.15 0.47 0.26 3.84 -1.26 -1.43 114.94 116.12 3mu8 s ASN 72 Ca 0.00 -0.68 0.18 0.00 0.21 0.00 0.00 52.86 52.57 3mu8 s ASN 72 Cb 0.00 -1.67 1.13 0.00 -0.55 0.00 0.00 41.25 40.16 3mu8 s ASN 72 CO 0.00 -0.08 2.02 -0.07 -2.79 0.00 0.00 177.10 176.18 3mu8 h LEU 73 N 8.04 0.00 -0.99 3.21 3.38 -1.31 -3.14 115.31 124.49 3mu8 h LEU 73 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3mu8 h LEU 73 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3mu8 h LEU 73 CO 0.59 0.17 -0.25 -0.46 0.09 0.00 0.00 178.44 178.58 3mu8 n ASN 74 N -4.14 1.67 -4.37 -0.43 2.04 -1.26 -4.98 115.26 103.78 3mu8 n ASN 74 Ca -0.02 -1.33 -0.29 0.00 -0.44 0.00 0.00 54.58 52.50 3mu8 n ASN 74 Cb 0.24 0.38 -0.13 0.00 -2.53 0.00 0.00 39.78 37.74 3mu8 n ASN 74 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 3mu8 s GLN 75 N -1.67 1.44 -0.11 -3.83 -0.21 -1.19 -5.10 119.66 108.98 3mu8 s GLN 75 Ca 0.13 -1.28 -0.29 0.00 0.02 0.00 0.00 55.36 53.94 3mu8 s GLN 75 Cb 0.12 -1.85 -0.03 0.00 1.00 0.00 0.00 33.01 32.25 3mu8 s GLN 75 CO 0.33 0.44 1.42 1.21 -2.12 0.00 0.00 175.29 176.58 3mu8 s ASN 76 N -1.88 6.83 0.13 5.90 2.47 -1.26 -4.65 114.94 122.48 3mu8 s ASN 76 Ca 0.13 1.93 0.23 0.00 0.42 0.00 0.00 52.86 55.56 3mu8 s ASN 76 Cb -0.10 -2.54 0.02 0.00 -1.45 0.00 0.00 41.25 37.19 3mu8 s ASN 76 CO 0.05 -0.82 1.02 0.59 -3.72 0.00 0.00 177.10 174.22 3mu8 n ASN 77 N 6.73 0.69 -0.10 -4.21 4.13 -1.26 -4.96 115.26 116.27 3mu8 n ASN 77 Ca 0.15 0.15 -0.01 0.00 1.68 0.00 0.00 54.58 56.55 3mu8 n ASN 77 Cb 0.44 0.64 -0.01 0.00 -1.54 0.00 0.00 39.78 39.32 3mu8 n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mu8 n GLY 78 N 1.25 0.51 0.00 7.41 0.00 -1.26 -4.87 105.19 108.23 3mu8 n GLY 78 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3mu8 n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mu8 n THR 79 N -2.87 0.00 -2.69 2.61 -2.24 -1.26 -5.09 114.28 102.73 3mu8 n THR 79 Ca -0.01 -0.27 -0.39 0.00 -2.27 0.00 0.00 64.05 61.11 3mu8 n THR 79 Cb 0.09 1.34 -0.06 0.00 -2.10 0.00 0.00 70.33 69.60 3mu8 n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mu8 s GLU 80 N -0.14 4.69 -0.06 -0.78 8.01 -1.22 -4.43 118.70 124.76 3mu8 s GLU 80 Ca 0.00 1.51 0.06 0.00 0.01 0.00 0.00 54.97 56.55 3mu8 s GLU 80 Cb 0.00 -3.07 -0.01 0.00 -4.31 0.00 0.00 34.13 26.74 3mu8 s GLU 80 CO 0.00 0.34 -0.23 -0.65 0.01 0.00 0.00 175.26 174.73 3mu8 s GLN 81 N -1.57 2.42 -0.16 1.61 -0.21 -0.43 -5.00 119.66 116.32 3mu8 s GLN 81 Ca 0.45 -0.84 -0.00 0.00 0.02 0.00 0.00 55.36 54.99 3mu8 s GLN 81 Cb -0.25 -2.05 -0.00 0.00 1.00 0.00 0.00 33.01 31.71 3mu8 s GLN 81 CO 0.31 0.34 -0.14 0.71 -2.12 0.00 0.00 175.29 174.39 3mu8 s TYR 82 N -0.10 2.80 -0.04 0.91 1.51 -1.26 -1.73 117.35 119.45 3mu8 s TYR 82 Ca -0.04 -0.99 -0.01 0.00 -1.01 0.00 0.00 57.07 55.01 3mu8 s TYR 82 Cb -0.14 -1.90 0.03 0.00 -0.11 0.00 0.00 41.96 39.85 3mu8 s TYR 82 CO 0.04 -0.45 0.07 0.54 -1.11 0.00 0.00 175.55 174.64 3mu8 s VAL 83 N 0.81 -0.06 0.70 0.71 0.11 -0.44 -5.01 120.40 117.23 3mu8 s VAL 83 Ca -0.05 0.21 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 3mu8 s VAL 83 Cb -0.15 -0.14 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 3mu8 s VAL 83 CO 0.00 0.08 1.16 -0.83 -3.33 0.00 0.00 175.10 172.19 3mu8 s GLY 84 N 1.11 2.26 -0.22 6.54 0.00 -1.26 -0.80 107.32 114.95 3mu8 s GLY 84 Ca -0.09 0.72 -0.20 0.00 0.00 0.00 0.00 44.72 45.15 3mu8 s GLY 84 CO -0.04 1.11 0.62 0.14 0.00 0.00 0.00 173.10 174.93 3mu8 s VAL 85 N -2.15 5.01 -0.14 1.40 1.01 -1.15 -0.92 120.40 123.46 3mu8 s VAL 85 Ca 0.71 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.83 3mu8 s VAL 85 Cb -0.25 -3.93 -0.24 0.00 0.00 0.00 0.00 36.38 31.96 3mu8 s VAL 85 CO 0.43 0.08 0.26 1.67 0.00 0.00 0.00 175.10 177.54 3mu8 n GLN 86 N 5.28 0.71 -3.79 2.72 7.27 0.43 -4.85 117.38 125.14 3mu8 n GLN 86 Ca -0.01 0.23 -0.13 0.00 0.07 0.00 0.00 57.00 57.16 3mu8 n GLN 86 Cb 0.49 -1.67 -0.11 0.00 2.41 0.00 0.00 30.24 31.37 3mu8 n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3mu8 s LYS 87 N -2.55 0.35 -0.18 3.69 2.20 -1.08 -4.99 119.74 117.17 3mu8 s LYS 87 Ca -0.22 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 3mu8 s LYS 87 Cb 0.07 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 3mu8 s LYS 87 CO 0.74 -0.06 -0.17 0.42 -0.36 0.00 0.00 175.35 175.93 3mu8 s ILE 88 N -0.17 2.34 -0.37 5.43 1.01 -1.26 -0.82 121.20 127.36 3mu8 s ILE 88 Ca -0.03 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 3mu8 s ILE 88 Cb -0.03 -2.00 0.08 0.00 0.01 0.00 0.00 42.46 40.53 3mu8 s ILE 88 CO 0.01 0.52 0.14 -0.69 0.00 0.00 0.00 174.94 174.91 3mu8 s VAL 89 N 1.26 3.35 0.19 2.92 1.01 0.60 -5.00 120.40 124.73 3mu8 s VAL 89 Ca 0.04 -1.68 -0.10 0.00 0.00 0.00 0.00 61.98 60.23 3mu8 s VAL 89 Cb -0.14 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.06 3mu8 s VAL 89 CO -0.10 -0.44 0.53 -0.69 0.00 0.00 0.00 175.10 174.40 3mu8 s VAL 90 N 1.23 4.94 0.20 2.92 1.01 -1.26 -0.63 120.40 128.81 3mu8 s VAL 90 Ca 0.03 0.53 -0.32 0.00 0.00 0.00 0.00 61.98 62.21 3mu8 s VAL 90 Cb -0.21 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.39 3mu8 s VAL 90 CO -0.02 0.04 1.59 1.57 0.00 0.00 0.00 175.10 178.28 3mu8 n HIS 91 N 0.18 2.45 0.27 5.22 -0.00 -0.87 -4.84 115.22 117.63 3mu8 n HIS 91 Ca -0.02 0.23 0.13 0.00 0.46 0.00 0.00 57.72 58.53 3mu8 n HIS 91 Cb 0.52 -2.57 0.65 0.00 -0.12 0.00 0.00 29.99 28.47 3mu8 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3mu8 h PRO 92 N 5.71 0.00 -0.27 1.57 0.13 -1.93 -2.12 132.00 135.09 3mu8 h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3mu8 h PRO 92 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3mu8 h PRO 92 CO 0.87 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.30 3mu8 n TYR 93 N -2.42 0.34 -1.93 1.56 4.01 -1.26 -4.95 117.16 112.50 3mu8 n TYR 93 Ca -0.00 -0.17 -0.41 0.00 -0.16 0.00 0.00 57.90 57.15 3mu8 n TYR 93 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.13 3mu8 n TYR 93 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3mu8 s TRP 94 N -1.66 2.95 -0.15 -0.72 -0.11 -0.80 -4.88 118.94 113.56 3mu8 s TRP 94 Ca 0.35 0.89 -0.01 0.00 1.22 0.00 0.00 56.10 58.56 3mu8 s TRP 94 Cb 0.22 -3.91 0.04 0.00 -1.50 0.00 0.00 33.47 28.32 3mu8 s TRP 94 CO 0.31 -3.05 -0.05 1.21 -4.62 0.00 0.00 176.95 170.75 3mu8 s ASN 95 N 0.51 2.65 0.44 5.86 2.47 -1.26 -5.00 114.94 120.61 3mu8 s ASN 95 Ca 0.62 -0.57 0.22 0.00 0.42 0.00 0.00 52.86 53.55 3mu8 s ASN 95 Cb -0.44 -0.85 1.21 0.00 -1.45 0.00 0.00 41.25 39.71 3mu8 s ASN 95 CO 0.43 -0.18 1.82 0.00 -3.72 0.00 0.00 177.10 175.45 3mu8 h THR 96 N 6.35 0.56 0.00 -5.21 1.03 -1.98 -0.05 112.91 113.61 3mu8 h THR 96 Ca -0.24 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 66.05 3mu8 h THR 96 Cb 1.12 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.44 3mu8 h THR 96 CO 0.39 0.05 0.00 0.47 -0.01 0.00 0.00 175.52 176.42 3mu8 n ASP 97 N -4.48 0.00 -2.92 0.00 9.92 -1.26 -4.32 116.55 113.49 3mu8 n ASP 97 Ca 0.23 -0.25 -0.10 0.00 -0.53 0.00 0.00 54.79 54.13 3mu8 n ASP 97 Cb 0.88 -0.14 -0.02 0.00 -0.64 0.00 0.00 41.12 41.21 3mu8 n ASP 97 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3mu8 n ASP 98 N -1.14 -2.70 -2.03 -2.24 -0.08 -0.03 -5.05 116.55 103.28 3mu8 n ASP 98 Ca 0.10 -2.79 -0.00 0.00 -1.51 0.00 0.00 54.79 50.59 3mu8 n ASP 98 Cb 0.09 1.18 -0.00 0.00 2.34 0.00 0.00 41.12 44.73 3mu8 n ASP 98 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 3mu8 n VAL 99 N 2.87 0.17 0.00 5.18 3.14 -1.26 -4.00 118.33 124.44 3mu8 n VAL 99 Ca 0.21 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 3mu8 n VAL 99 Cb 0.54 -1.11 0.00 0.00 -1.06 0.00 0.00 33.84 32.22 3mu8 n VAL 99 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mu8 n ALA 99 N 2.09 0.00 0.00 1.55 0.00 -1.26 -4.79 120.51 118.10 3mu8 n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mu8 n ALA 99 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3mu8 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mu8 n GLY 100 N 0.00 -1.38 2.40 0.00 0.00 -1.26 -4.99 105.19 99.97 3mu8 n GLY 100 Ca 0.00 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 3mu8 n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mu8 n TYR 101 N 0.00 -0.25 -2.60 1.61 4.01 -1.26 -4.64 117.16 114.02 3mu8 n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3mu8 n TYR 101 Cb 0.00 -2.90 0.00 0.00 -0.31 0.00 0.00 39.34 36.13 3mu8 n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3mu8 n ASP 102 N -0.68 4.94 -3.63 7.72 4.64 -1.26 -4.37 116.55 123.91 3mu8 n ASP 102 Ca -0.17 -2.94 -0.15 0.00 -1.38 0.00 0.00 54.79 50.16 3mu8 n ASP 102 Cb 0.56 -1.68 -0.08 0.00 -1.04 0.00 0.00 41.12 38.88 3mu8 n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 3mu8 s ILE 103 N 3.21 0.01 0.02 5.18 2.07 -1.26 -3.97 121.20 126.46 3mu8 s ILE 103 Ca 0.50 -0.06 -0.15 0.00 -1.41 0.00 0.00 60.65 59.53 3mu8 s ILE 103 Cb 0.03 -0.86 0.02 0.00 0.13 0.00 0.00 42.46 41.78 3mu8 s ILE 103 CO 0.04 -0.03 0.32 0.00 -1.91 0.00 0.00 174.94 173.36 3mu8 s ALA 104 N -0.34 -0.76 -0.07 1.50 0.00 -0.18 -2.05 121.76 119.87 3mu8 s ALA 104 Ca -0.05 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.12 3mu8 s ALA 104 Cb -0.03 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3mu8 s ALA 104 CO 0.04 -0.36 -0.18 -0.51 0.00 0.00 0.00 175.76 174.75 3mu8 s LEU 105 N -1.76 2.46 -0.16 0.00 1.43 0.20 -1.41 118.68 119.43 3mu8 s LEU 105 Ca -0.08 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3mu8 s LEU 105 Cb -0.02 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.71 3mu8 s LEU 105 CO -0.00 0.27 -0.18 -0.76 0.23 0.00 0.00 176.35 175.92 3mu8 s LEU 106 N -0.32 2.31 -0.16 1.79 1.43 0.53 -0.30 118.68 123.97 3mu8 s LEU 106 Ca 0.02 -0.54 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 3mu8 s LEU 106 Cb -0.13 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3mu8 s LEU 106 CO 0.02 0.06 0.56 -0.60 0.23 0.00 0.00 176.35 176.63 3mu8 s ARG 107 N 0.93 4.27 0.43 1.70 3.52 0.00 -1.00 118.95 128.81 3mu8 s ARG 107 Ca -0.04 0.54 -0.15 0.00 -0.13 0.00 0.00 55.73 55.95 3mu8 s ARG 107 Cb -0.15 -3.52 -0.08 0.00 -1.56 0.00 0.00 34.95 29.64 3mu8 s ARG 107 CO -0.03 -0.07 0.87 -0.51 -0.81 0.00 0.00 175.30 174.75 3mu8 s LEU 108 N 1.34 3.81 0.39 -0.88 1.43 0.24 -0.43 118.68 124.57 3mu8 s LEU 108 Ca 0.28 1.39 0.19 0.00 -1.03 0.00 0.00 54.13 54.95 3mu8 s LEU 108 Cb -0.16 -4.27 0.74 0.00 0.03 0.00 0.00 46.19 42.53 3mu8 s LEU 108 CO 0.11 -0.43 1.76 0.00 0.23 0.00 0.00 176.35 178.02 3mu8 h ALA 109 N 1.38 1.04 -2.58 4.21 0.00 -1.34 -3.43 119.26 118.54 3mu8 h ALA 109 Ca -0.47 -0.32 -0.27 0.00 0.00 0.00 0.00 54.91 53.85 3mu8 h ALA 109 Cb 1.18 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.75 3mu8 h ALA 109 CO 0.63 0.44 -0.72 -0.65 0.00 0.00 0.00 179.25 178.95 3mu8 s GLN 110 N -3.69 0.78 -0.03 0.00 1.11 -1.26 -5.05 119.66 111.53 3mu8 s GLN 110 Ca -0.00 -1.17 -0.25 0.00 0.01 0.00 0.00 55.36 53.95 3mu8 s GLN 110 Cb 0.11 -0.34 -0.04 0.00 -1.01 0.00 0.00 33.01 31.74 3mu8 s GLN 110 CO 0.68 0.03 0.78 -1.12 0.01 0.00 0.00 175.29 175.67 3mu8 s SER 111 N -2.56 7.12 0.61 5.90 0.01 -1.26 -4.69 113.70 118.82 3mu8 s SER 111 Ca 0.06 1.34 -0.13 0.00 1.31 0.00 0.00 55.95 58.53 3mu8 s SER 111 Cb -0.00 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 3mu8 s SER 111 CO -0.02 -0.13 1.03 0.68 0.41 0.00 0.00 173.24 175.21 3mu8 s VAL 112 N 0.71 4.48 -0.11 3.43 -7.23 -0.50 -4.98 120.40 116.19 3mu8 s VAL 112 Ca 0.41 0.92 -0.17 0.00 -1.81 0.00 0.00 61.98 61.33 3mu8 s VAL 112 Cb -0.19 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 32.99 3mu8 s VAL 112 CO 0.21 -0.94 0.45 -0.89 -0.31 0.00 0.00 175.10 173.62 3mu8 s THR 113 N -2.96 5.18 0.23 5.32 2.01 -1.26 -4.88 115.64 119.28 3mu8 s THR 113 Ca 0.57 0.89 -0.21 0.00 0.31 0.00 0.00 61.69 63.26 3mu8 s THR 113 Cb -0.12 -3.78 -0.08 0.00 0.01 0.00 0.00 72.50 68.53 3mu8 s THR 113 CO 0.47 0.36 0.76 -0.76 -0.69 0.00 0.00 174.62 174.76 3mu8 s LEU 114 N 0.42 4.36 0.00 4.42 1.43 -1.26 -4.83 118.68 123.22 3mu8 s LEU 114 Ca 0.24 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 3mu8 s LEU 114 Cb -0.15 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.44 3mu8 s LEU 114 CO 0.10 0.03 0.00 -0.46 0.23 0.00 0.00 176.35 176.25 3mu8 n ASN 115 N 0.75 0.00 0.09 2.29 0.23 -0.42 -4.96 115.26 113.23 3mu8 n ASN 115 Ca -0.02 -0.95 0.09 0.00 -0.53 0.00 0.00 54.58 53.17 3mu8 n ASN 115 Cb 0.51 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.61 3mu8 n ASN 115 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3mu8 n SER 116 N -0.75 0.38 -0.13 0.53 3.41 -1.26 -2.01 113.62 113.80 3mu8 n SER 116 Ca 0.00 0.62 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 3mu8 n SER 116 Cb 0.00 -0.69 -0.07 0.00 -0.26 0.00 0.00 64.21 63.19 3mu8 n SER 116 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mu8 n TYR 117 N -1.95 0.00 -3.60 7.33 4.01 -1.26 -4.76 117.16 116.93 3mu8 n TYR 117 Ca 0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 3mu8 n TYR 117 Cb 0.14 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.01 3mu8 n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3mu8 s VAL 118 N -2.44 -0.06 0.07 -0.72 1.01 -0.85 -3.83 120.40 113.58 3mu8 s VAL 118 Ca 0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 3mu8 s VAL 118 Cb 0.13 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 3mu8 s VAL 118 CO 0.62 -0.38 0.15 -1.10 0.00 0.00 0.00 175.10 174.40 3mu8 s GLN 119 N 2.12 0.78 0.31 2.72 -1.52 -0.77 -1.30 119.66 122.00 3mu8 s GLN 119 Ca 0.03 -0.96 -0.27 0.00 -1.95 0.00 0.00 55.36 52.22 3mu8 s GLN 119 Cb -0.16 0.31 -0.09 0.00 -0.22 0.00 0.00 33.01 32.84 3mu8 s GLN 119 CO -0.15 -0.23 0.99 -0.51 -0.25 0.00 0.00 175.29 175.14 3mu8 s LEU 120 N -2.75 4.41 0.23 2.90 1.43 -1.26 -3.37 118.68 120.27 3mu8 s LEU 120 Ca 0.04 1.98 -0.30 0.00 -1.03 0.00 0.00 54.13 54.82 3mu8 s LEU 120 Cb 0.04 -3.89 -0.09 0.00 0.03 0.00 0.00 46.19 42.29 3mu8 s LEU 120 CO -0.10 -0.12 1.04 -0.83 0.23 0.00 0.00 176.35 176.57 3mu8 s GLY 121 N -1.37 3.03 0.03 -3.19 0.00 0.82 -4.82 107.32 101.81 3mu8 s GLY 121 Ca 0.49 0.77 -0.19 0.00 0.00 0.00 0.00 44.72 45.79 3mu8 s GLY 121 CO 0.30 1.44 0.54 0.14 0.00 0.00 0.00 173.10 175.51 3mu8 s VAL 122 N -0.87 4.87 0.15 1.40 1.01 -1.26 -4.78 120.40 120.92 3mu8 s VAL 122 Ca 0.45 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.61 3mu8 s VAL 122 Cb -0.29 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3mu8 s VAL 122 CO 0.36 0.51 0.12 -0.76 0.00 0.00 0.00 175.10 175.33 3mu8 s LEU 123 N -0.74 3.78 0.82 3.92 1.43 -1.26 -0.74 118.68 125.89 3mu8 s LEU 123 Ca 0.28 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 3mu8 s LEU 123 Cb -0.18 -2.41 0.08 0.00 0.03 0.00 0.00 46.19 43.71 3mu8 s LEU 123 CO 0.17 0.09 1.09 -2.84 0.23 0.00 0.00 176.35 175.09 3mu8 s PRO 124 N -2.93 1.91 0.44 1.29 0.02 -1.26 -4.89 135.00 129.57 3mu8 s PRO 124 Ca 0.30 0.77 -0.24 0.00 0.02 0.00 0.00 61.00 61.85 3mu8 s PRO 124 Cb -0.11 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.45 3mu8 s PRO 124 CO 0.23 -1.78 1.19 1.03 -0.33 0.00 0.00 177.00 177.34 3mu8 s ARG 125 N -5.05 3.84 0.17 5.54 0.52 -1.26 -4.82 118.95 117.88 3mu8 s ARG 125 Ca 0.61 1.86 -0.33 0.00 -0.52 0.00 0.00 55.73 57.35 3mu8 s ARG 125 Cb -0.16 -2.52 -0.15 0.00 0.52 0.00 0.00 34.95 32.64 3mu8 s ARG 125 CO 0.55 -0.51 1.25 0.00 0.02 0.00 0.00 175.30 176.61 3mu8 n ALA 126 N -0.28 -0.40 -0.11 2.13 0.00 -1.26 -2.35 120.51 118.24 3mu8 n ALA 126 Ca 0.06 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3mu8 n ALA 126 Cb 0.47 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3mu8 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mu8 n GLY 127 N 2.18 1.58 3.73 0.00 0.00 -0.72 -5.02 105.19 106.94 3mu8 n GLY 127 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3mu8 n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mu8 s THR 128 N -2.70 2.44 -0.08 2.61 2.01 -0.99 -5.00 115.64 113.92 3mu8 s THR 128 Ca 0.00 0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.36 3mu8 s THR 128 Cb 0.00 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.31 3mu8 s THR 128 CO 0.00 0.03 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.17 3mu8 s ILE 129 N 0.79 1.52 0.34 1.82 -1.09 -1.26 -4.77 121.20 118.55 3mu8 s ILE 129 Ca 0.68 -0.70 -0.19 0.00 -2.23 0.00 0.00 60.65 58.22 3mu8 s ILE 129 Cb -0.45 -1.35 -0.10 0.00 -1.58 0.00 0.00 42.46 38.98 3mu8 s ILE 129 CO 0.36 0.44 0.82 -0.76 -1.23 0.00 0.00 174.94 174.57 3mu8 s LEU 130 N 0.58 4.08 0.62 2.97 1.43 -1.26 -5.02 118.68 122.08 3mu8 s LEU 130 Ca -0.15 1.48 -0.18 0.00 -1.03 0.00 0.00 54.13 54.25 3mu8 s LEU 130 Cb -0.17 -4.16 -0.02 0.00 0.03 0.00 0.00 46.19 41.87 3mu8 s LEU 130 CO 0.05 -0.21 1.22 0.00 0.23 0.00 0.00 176.35 177.63 3mu8 s ALA 131 N -1.96 2.47 0.41 4.21 0.00 -1.26 -4.89 121.76 120.75 3mu8 s ALA 131 Ca 0.55 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 53.27 3mu8 s ALA 131 Cb -0.11 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 3mu8 s ALA 131 CO 0.17 -1.30 0.89 -1.71 0.00 0.00 0.00 175.76 173.81 3mu8 n ASN 132 N -1.79 0.72 -2.16 0.00 5.15 -1.26 -2.47 115.26 113.44 3mu8 n ASN 132 Ca 0.14 1.01 -0.19 0.00 -0.60 0.00 0.00 54.58 54.94 3mu8 n ASN 132 Cb 0.50 -1.29 -0.01 0.00 -0.53 0.00 0.00 39.78 38.45 3mu8 n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3mu8 n ASN 133 N 0.71 -5.44 -4.78 1.20 5.15 0.32 -4.95 115.26 107.47 3mu8 n ASN 133 Ca 0.10 -0.03 -0.37 0.00 -0.60 0.00 0.00 54.58 53.68 3mu8 n ASN 133 Cb 0.39 -4.48 -0.04 0.00 -0.53 0.00 0.00 39.78 35.12 3mu8 n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3mu8 s SER 134 N -2.17 6.79 -0.02 1.20 0.01 -1.03 -4.60 113.70 113.88 3mu8 s SER 134 Ca 0.01 2.10 -0.30 0.00 1.31 0.00 0.00 55.95 59.07 3mu8 s SER 134 Cb -0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3mu8 s SER 134 CO 0.01 -0.47 1.20 -2.16 0.41 0.00 0.00 173.24 172.23 3mu8 s PRO 135 N -2.34 4.38 0.07 12.44 0.04 -1.26 -1.48 135.00 146.84 3mu8 s PRO 135 Ca 0.56 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 3mu8 s PRO 135 Cb -0.24 -3.51 0.01 0.00 0.04 0.00 0.00 34.50 30.80 3mu8 s PRO 135 CO 0.30 -0.39 0.25 0.00 0.04 0.00 0.00 177.00 177.20 3mu8 s TYR 137 N -3.19 1.80 0.03 0.00 2.02 0.05 -0.59 117.35 117.47 3mu8 s TYR 137 Ca -0.00 -0.50 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 3mu8 s TYR 137 Cb 0.02 -1.20 -0.05 0.00 -0.40 0.00 0.00 41.96 40.32 3mu8 s TYR 137 CO -0.07 -0.16 0.36 -1.50 -1.57 0.00 0.00 175.55 172.61 3mu8 s ILE 138 N -0.04 5.14 0.06 2.71 2.07 -0.48 -0.71 121.20 129.96 3mu8 s ILE 138 Ca -0.03 0.51 0.06 0.00 -1.41 0.00 0.00 60.65 59.78 3mu8 s ILE 138 Cb -0.11 -3.63 -0.03 0.00 0.13 0.00 0.00 42.46 38.82 3mu8 s ILE 138 CO 0.02 0.42 -0.16 0.42 -1.91 0.00 0.00 174.94 173.73 3mu8 s THR 139 N -1.25 1.30 0.00 4.00 -4.23 -1.21 -1.18 115.64 113.07 3mu8 s THR 139 Ca 0.28 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 3mu8 s THR 139 Cb -0.15 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.51 3mu8 s THR 139 CO 0.15 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 3mu8 n GLY 140 N 1.57 -0.30 1.30 3.99 0.00 -0.48 -4.53 105.19 106.74 3mu8 n GLY 140 Ca -0.19 -1.10 0.08 0.00 0.00 0.00 0.00 46.02 44.81 3mu8 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mu8 n TRP 141 N -0.49 1.39 -1.09 1.61 8.01 -1.26 -1.54 117.44 124.06 3mu8 n TRP 141 Ca 0.00 -0.79 -0.30 0.00 -1.31 0.00 0.00 57.50 55.09 3mu8 n TRP 141 Cb 0.00 -0.38 0.25 0.00 -2.01 0.00 0.00 31.31 29.18 3mu8 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3mu8 s GLY 142 N -1.41 1.60 0.38 6.99 0.00 -1.25 -1.87 107.32 111.77 3mu8 s GLY 142 Ca 0.47 -1.11 -0.26 0.00 0.00 0.00 0.00 44.72 43.82 3mu8 s GLY 142 CO 0.13 -0.16 1.11 1.04 0.00 0.00 0.00 173.10 175.22 3mu8 n LEU 143 N -4.87 2.93 -0.25 0.66 4.77 -0.23 -2.52 117.00 117.48 3mu8 n LEU 143 Ca 0.15 1.11 0.12 0.00 -0.03 0.00 0.00 56.01 57.36 3mu8 n LEU 143 Cb 0.60 -1.40 0.22 0.00 -2.33 0.00 0.00 43.42 40.51 3mu8 n LEU 143 CO 0.42 -1.12 0.48 0.35 -1.33 0.00 0.00 177.39 176.18 3mu8 n THR 144 N -0.16 0.00 -3.75 -5.08 -2.24 -0.87 -0.88 114.28 101.30 3mu8 n THR 144 Ca 0.08 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.59 3mu8 n THR 144 Cb 0.37 0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 69.17 3mu8 n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mu8 s ARG 145 N -2.61 0.67 -0.01 -0.78 0.52 -1.26 -4.25 118.95 111.24 3mu8 s ARG 145 Ca 0.20 -0.14 -0.36 0.00 -0.52 0.00 0.00 55.73 54.91 3mu8 s ARG 145 Cb 0.18 0.30 -0.14 0.00 0.52 0.00 0.00 34.95 35.81 3mu8 s ARG 145 CO 0.59 -0.18 1.64 2.41 0.02 0.00 0.00 175.30 179.77 3mu8 n THR 147 N 1.33 0.22 -2.13 0.02 -1.04 -1.26 -0.68 114.28 110.74 3mu8 n THR 147 Ca -0.21 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.05 61.60 3mu8 n THR 147 Cb 0.56 -1.41 -0.02 0.00 -1.82 0.00 0.00 70.33 67.64 3mu8 n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3mu8 n ASN 148 N 4.48 -4.87 -0.01 8.00 3.02 -1.26 -4.97 115.26 119.64 3mu8 n ASN 148 Ca 0.21 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 3mu8 n ASN 148 Cb 0.24 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 3mu8 n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mu8 n GLY 149 N -1.01 1.90 3.34 7.41 0.00 0.15 -5.14 105.19 111.85 3mu8 n GLY 149 Ca -0.19 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.79 3mu8 n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mu8 s GLN 150 N 4.41 1.30 0.57 1.61 -2.07 -1.26 -4.93 119.66 119.29 3mu8 s GLN 150 Ca 0.00 -1.46 -0.20 0.00 -1.82 0.00 0.00 55.36 51.88 3mu8 s GLN 150 Cb 0.00 -1.30 -0.05 0.00 -1.09 0.00 0.00 33.01 30.57 3mu8 s GLN 150 CO 0.00 0.25 1.11 1.28 -1.32 0.00 0.00 175.29 176.62 3mu8 n LEU 151 N 0.10 4.31 -4.76 2.60 4.77 -1.26 -2.05 117.00 120.71 3mu8 n LEU 151 Ca -0.12 0.88 -0.35 0.00 -0.03 0.00 0.00 56.01 56.40 3mu8 n LEU 151 Cb 0.58 -1.45 0.02 0.00 -2.33 0.00 0.00 43.42 40.24 3mu8 n LEU 151 CO 0.31 -1.37 0.79 0.00 -1.33 0.00 0.00 177.39 175.79 3mu8 s ALA 152 N -1.41 2.58 -0.08 -1.18 0.00 -0.78 -4.84 121.76 116.05 3mu8 s ALA 152 Ca 0.74 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 53.41 3mu8 s ALA 152 Cb -0.43 -3.38 -0.29 0.00 0.00 0.00 0.00 23.12 19.02 3mu8 s ALA 152 CO 0.48 -1.04 0.57 1.96 0.00 0.00 0.00 175.76 177.73 3mu8 h GLN 153 N 0.80 0.33 -6.21 0.00 4.20 -1.94 -3.45 115.11 108.84 3mu8 h GLN 153 Ca -0.49 -0.56 -0.65 0.00 0.06 0.00 0.00 58.65 57.01 3mu8 h GLN 153 Cb 1.27 0.21 -0.10 0.00 0.30 0.00 0.00 27.48 29.16 3mu8 h GLN 153 CO 0.55 1.27 -0.62 0.95 -0.67 0.00 0.00 178.83 180.31 3mu8 s THR 154 N -2.55 4.38 0.17 -0.54 -4.23 -1.26 -0.85 115.64 110.77 3mu8 s THR 154 Ca -0.18 -0.77 -0.33 0.00 -1.18 0.00 0.00 61.69 59.22 3mu8 s THR 154 Cb 0.05 -3.08 -0.13 0.00 1.34 0.00 0.00 72.50 70.68 3mu8 s THR 154 CO 0.81 0.17 1.62 -0.11 -0.54 0.00 0.00 174.62 176.57 3mu8 n LEU 155 N 0.64 3.33 -4.72 4.79 7.94 -0.52 -4.82 117.00 123.64 3mu8 n LEU 155 Ca -0.10 1.08 -0.25 0.00 -1.11 0.00 0.00 56.01 55.62 3mu8 n LEU 155 Cb 0.52 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 42.94 3mu8 n LEU 155 CO 0.41 -0.17 -0.27 -1.10 -1.11 0.00 0.00 177.39 175.15 3mu8 s GLN 156 N 1.03 2.61 0.06 1.96 -1.52 -0.59 -1.29 119.66 121.93 3mu8 s GLN 156 Ca 0.78 -1.07 0.04 0.00 -1.95 0.00 0.00 55.36 53.16 3mu8 s GLN 156 Cb -0.63 -2.45 -0.03 0.00 -0.22 0.00 0.00 33.01 29.68 3mu8 s GLN 156 CO 0.37 0.44 -0.12 1.14 -0.25 0.00 0.00 175.29 176.87 3mu8 s GLN 157 N -3.21 0.75 -0.01 2.91 -2.07 0.20 -1.38 119.66 116.85 3mu8 s GLN 157 Ca 0.30 -0.87 -0.01 0.00 -1.82 0.00 0.00 55.36 52.95 3mu8 s GLN 157 Cb -0.09 -0.70 0.00 0.00 -1.09 0.00 0.00 33.01 31.13 3mu8 s GLN 157 CO 0.21 0.15 0.04 0.00 -1.32 0.00 0.00 175.29 174.37 3mu8 s ALA 158 N -1.23 -0.10 -0.28 2.60 0.00 -0.33 -0.94 121.76 121.49 3mu8 s ALA 158 Ca -0.03 0.11 -0.27 0.00 0.00 0.00 0.00 51.96 51.76 3mu8 s ALA 158 Cb -0.10 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.97 3mu8 s ALA 158 CO 0.02 -0.02 0.97 -0.47 0.00 0.00 0.00 175.76 176.26 3mu8 s TYR 159 N 0.02 3.23 -0.31 0.00 5.04 -1.26 -1.38 117.35 122.69 3mu8 s TYR 159 Ca -0.00 1.17 -0.01 0.00 -2.44 0.00 0.00 57.07 55.80 3mu8 s TYR 159 Cb -0.00 -3.39 0.10 0.00 0.35 0.00 0.00 41.96 39.01 3mu8 s TYR 159 CO 0.00 -0.60 0.11 -0.51 -1.34 0.00 0.00 175.55 173.21 3mu8 s LEU 160 N 3.28 2.19 0.45 6.97 1.43 0.24 -4.95 118.68 128.29 3mu8 s LEU 160 Ca 0.41 -1.67 -0.24 0.00 -1.03 0.00 0.00 54.13 51.60 3mu8 s LEU 160 Cb -0.14 -0.85 -0.07 0.00 0.03 0.00 0.00 46.19 45.16 3mu8 s LEU 160 CO 0.11 -0.41 1.23 -2.16 0.23 0.00 0.00 176.35 175.35 3mu8 s PRO 161 N 1.58 3.76 0.69 1.29 0.05 -1.26 -3.81 135.00 137.30 3mu8 s PRO 161 Ca 0.10 1.95 -0.15 0.00 0.05 0.00 0.00 61.00 62.96 3mu8 s PRO 161 Cb -0.18 -2.51 0.02 0.00 0.05 0.00 0.00 34.50 31.88 3mu8 s PRO 161 CO -0.24 -0.60 1.15 0.95 0.05 0.00 0.00 177.00 178.30 3mu8 s THR 162 N -1.41 2.86 -0.22 1.26 -4.23 -0.55 -0.88 115.64 112.48 3mu8 s THR 162 Ca 0.62 0.41 0.01 0.00 -1.18 0.00 0.00 61.69 61.55 3mu8 s THR 162 Cb -0.33 -2.93 0.05 0.00 1.34 0.00 0.00 72.50 70.63 3mu8 s THR 162 CO 0.41 -0.25 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.44 3mu8 s VAL 163 N -2.22 1.85 0.88 2.29 1.01 -0.19 -0.53 120.40 123.50 3mu8 s VAL 163 Ca 0.70 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 3mu8 s VAL 163 Cb -0.24 -1.91 0.12 0.00 0.00 0.00 0.00 36.38 34.35 3mu8 s VAL 163 CO 0.43 0.14 1.10 1.51 0.00 0.00 0.00 175.10 178.29 3mu8 s ASP 164 N 1.29 3.46 0.23 3.32 1.47 -1.26 -4.02 116.67 121.17 3mu8 s ASP 164 Ca -0.03 1.81 -0.06 0.00 1.18 0.00 0.00 52.55 55.46 3mu8 s ASP 164 Cb -0.17 -2.42 0.38 0.00 -0.34 0.00 0.00 42.92 40.37 3mu8 s ASP 164 CO -0.08 -2.69 1.77 0.22 0.68 0.00 0.00 175.17 175.07 3mu8 h TYR 165 N -1.59 0.63 -0.98 2.11 3.20 -1.94 0.62 116.97 119.04 3mu8 h TYR 165 Ca -0.47 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.51 3mu8 h TYR 165 Cb 1.26 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 39.29 3mu8 h TYR 165 CO 0.49 0.20 0.62 0.00 -1.64 0.00 0.00 178.16 177.83 3mu8 h ALA 166 N 1.47 1.38 0.06 1.82 0.00 -1.97 -0.57 119.26 121.45 3mu8 h ALA 166 Ca 0.38 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 3mu8 h ALA 166 Cb 0.45 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3mu8 h ALA 166 CO -0.31 0.36 -0.33 0.82 0.00 0.00 0.00 179.25 179.80 3mu8 h ILE 167 N 1.10 1.68 0.00 0.00 2.04 -1.65 -3.34 117.51 117.34 3mu8 h ILE 167 Ca 0.44 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.88 3mu8 h ILE 167 Cb 0.24 3.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 3mu8 h ILE 167 CO -0.20 0.65 0.00 0.00 0.00 0.00 0.00 178.15 178.61 3mu8 n SER 169 N -2.59 7.10 0.00 0.00 3.41 -0.23 -0.97 113.62 120.34 3mu8 n SER 169 Ca 0.02 -3.36 0.00 0.00 -0.26 0.00 0.00 58.87 55.28 3mu8 n SER 169 Cb 0.32 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 3mu8 n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mu8 n SER 170 N 1.43 0.00 0.00 4.04 3.41 -1.26 -3.52 113.62 117.71 3mu8 n SER 170 Ca 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 3mu8 n SER 170 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3mu8 n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mu8 n TYR 171 N 0.00 0.00 0.88 7.33 4.02 -1.26 -4.82 117.16 123.31 3mu8 n TYR 171 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.99 3mu8 n TYR 171 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 3mu8 n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3mu8 n TRP 172 N 0.00 0.00 -3.57 -0.72 7.02 -0.14 -4.87 117.44 115.16 3mu8 n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3mu8 n TRP 172 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3mu8 n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mu8 n GLY 173 N 1.33 2.01 0.30 6.99 0.00 -1.22 -0.40 105.19 114.19 3mu8 n GLY 173 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3mu8 n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mu8 n SER 174 N -0.97 0.46 0.19 1.61 3.41 -1.26 -2.91 113.62 114.16 3mu8 n SER 174 Ca 0.00 -1.57 0.07 0.00 -0.26 0.00 0.00 58.87 57.11 3mu8 n SER 174 Cb 0.00 -0.23 0.24 0.00 -0.26 0.00 0.00 64.21 63.96 3mu8 n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3mu8 h THR 175 N 0.00 0.62 -2.81 6.66 2.02 -1.09 -3.45 112.91 114.87 3mu8 h THR 175 Ca 0.00 -1.57 -0.59 0.00 0.77 0.00 0.00 66.41 65.03 3mu8 h THR 175 Cb 0.23 2.07 -0.06 0.00 -1.74 0.00 0.00 68.15 68.65 3mu8 h THR 175 CO 0.00 0.31 -0.54 0.54 0.37 0.00 0.00 175.52 176.19 3mu8 s VAL 176 N -3.31 4.79 0.25 3.16 0.11 -1.15 -4.83 120.40 119.42 3mu8 s VAL 176 Ca 0.03 -0.84 0.07 0.00 -2.93 0.00 0.00 61.98 58.31 3mu8 s VAL 176 Cb 0.08 -3.40 -0.05 0.00 -1.53 0.00 0.00 36.38 31.48 3mu8 s VAL 176 CO 0.69 -0.02 -0.09 -0.54 -3.33 0.00 0.00 175.10 171.80 3mu8 s LYS 177 N -2.89 1.47 0.14 1.54 -0.14 -1.26 -4.96 119.74 113.65 3mu8 s LYS 177 Ca 0.32 -1.71 0.19 0.00 -1.36 0.00 0.00 55.97 53.41 3mu8 s LYS 177 Cb -0.11 -1.15 0.81 0.00 -1.68 0.00 0.00 37.83 35.69 3mu8 s LYS 177 CO 0.25 0.10 1.59 -1.71 -0.76 0.00 0.00 175.35 174.81 3mu8 n ASN 178 N -0.51 0.37 -0.23 2.83 5.15 -1.26 -1.80 115.26 119.81 3mu8 n ASN 178 Ca -0.06 0.59 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 3mu8 n ASN 178 Cb 0.62 -0.67 0.01 0.00 -0.53 0.00 0.00 39.78 39.21 3mu8 n ASN 178 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3mu8 n SER 179 N -1.91 0.51 -4.28 1.20 3.41 -1.26 -4.84 113.62 106.46 3mu8 n SER 179 Ca 0.03 -2.01 -0.19 0.00 -0.26 0.00 0.00 58.87 56.44 3mu8 n SER 179 Cb 0.19 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 3mu8 n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3mu8 s MET 180 N -1.63 1.13 -0.06 4.33 -1.94 -0.74 -1.01 119.30 119.39 3mu8 s MET 180 Ca 0.02 -1.34 0.04 0.00 -1.71 0.00 0.00 55.69 52.69 3mu8 s MET 180 Cb 0.01 -1.02 -0.02 0.00 2.01 0.00 0.00 34.83 35.81 3mu8 s MET 180 CO 0.01 0.19 -0.16 0.08 -0.01 0.00 0.00 175.02 175.13 3mu8 s VAL 181 N -2.31 2.90 -0.03 -6.03 1.01 0.27 -4.69 120.40 111.51 3mu8 s VAL 181 Ca 0.13 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3mu8 s VAL 181 Cb -0.04 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3mu8 s VAL 181 CO 0.04 0.58 -0.02 0.00 0.00 0.00 0.00 175.10 175.70 3mu8 s ALA 183 N -0.97 -0.50 0.00 0.00 0.00 -0.63 -1.02 121.76 118.64 3mu8 s ALA 183 Ca 0.16 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.44 3mu8 s ALA 183 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.87 3mu8 s ALA 183 CO 0.06 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3mu8 n GLY 184 N 2.23 0.79 1.81 0.00 0.00 -0.06 -1.39 105.19 108.57 3mu8 n GLY 184 Ca -0.17 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3mu8 n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mu8 n GLY 185 N 0.00 0.47 0.00 -0.02 0.00 -1.26 -4.68 105.19 99.71 3mu8 n GLY 185 Ca 0.00 -0.67 0.14 0.00 0.00 0.00 0.00 46.02 45.49 3mu8 n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mu8 n ASP 186 N 1.22 0.03 0.00 1.61 3.85 -1.26 -1.42 116.55 120.58 3mu8 n ASP 186 Ca 0.00 0.27 0.00 0.00 -0.71 0.00 0.00 54.79 54.35 3mu8 n ASP 186 Cb 0.00 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.37 3mu8 n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mu8 n GLY 187 N 1.44 1.32 0.29 6.12 0.00 -1.26 -4.76 105.19 108.34 3mu8 n GLY 187 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 3mu8 n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mu8 n VAL 188 N -2.00 0.14 -5.17 1.61 0.31 -1.26 -4.62 118.33 107.34 3mu8 n VAL 188 Ca 0.00 -0.05 -0.32 0.00 -0.01 0.00 0.00 64.34 63.97 3mu8 n VAL 188 Cb 0.00 -0.87 -0.15 0.00 -0.91 0.00 0.00 33.84 31.91 3mu8 n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3mu8 s ARG 188 N -2.05 2.28 -0.23 5.55 0.52 -1.26 -3.83 118.95 119.93 3mu8 s ARG 188 Ca -0.03 -0.85 -0.29 0.00 -0.52 0.00 0.00 55.73 54.03 3mu8 s ARG 188 Cb 0.01 -2.16 0.16 0.00 0.52 0.00 0.00 34.95 33.48 3mu8 s ARG 188 CO 0.05 0.56 1.18 0.45 0.02 0.00 0.00 175.30 177.56 3mu8 s SER 189 N -0.61 -0.22 1.08 0.23 0.15 -0.74 -4.37 113.70 109.22 3mu8 s SER 189 Ca 0.09 0.26 -0.15 0.00 0.70 0.00 0.00 55.95 56.86 3mu8 s SER 189 Cb -0.11 0.21 0.14 0.00 -1.71 0.00 0.00 66.02 64.56 3mu8 s SER 189 CO -0.00 -0.18 0.47 0.61 1.20 0.00 0.00 173.24 175.34 3mu8 n GLY 190 N 0.80 -2.06 0.00 9.45 0.00 -1.26 -0.60 105.19 111.52 3mu8 n GLY 190 Ca -0.06 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3mu8 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mu8 s GLN 192 N -0.52 4.30 0.00 0.00 1.11 -1.26 -2.39 119.66 120.90 3mu8 s GLN 192 Ca 0.00 1.75 0.00 0.00 0.01 0.00 0.00 55.36 57.12 3mu8 s GLN 192 Cb 0.00 -3.63 0.00 0.00 -1.01 0.00 0.00 33.01 28.37 3mu8 s GLN 192 CO 0.00 -0.55 0.00 0.41 0.01 0.00 0.00 175.29 175.16 3mu8 n GLY 193 N 3.51 1.30 0.05 3.09 0.00 -1.26 -1.07 105.19 110.81 3mu8 n GLY 193 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3mu8 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mu8 n ASP 194 N 0.00 0.58 -4.64 1.61 8.00 -1.01 -3.81 116.55 117.29 3mu8 n ASP 194 Ca 0.00 -0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 3mu8 n ASP 194 Cb 0.00 0.88 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 3mu8 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mu8 n SER 195 N -2.18 1.78 0.00 -2.24 7.64 -1.26 -1.94 113.62 115.42 3mu8 n SER 195 Ca 0.01 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.01 3mu8 n SER 195 Cb 0.48 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 3mu8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mu8 n GLY 196 N 1.05 3.28 3.95 0.23 0.00 0.31 -0.82 105.19 113.19 3mu8 n GLY 196 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 3mu8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mu8 s GLY 197 N -2.30 1.76 0.37 -0.02 0.00 -0.82 -3.34 107.32 102.97 3mu8 s GLY 197 Ca 0.00 -1.34 -0.15 0.00 0.00 0.00 0.00 44.72 43.23 3mu8 s GLY 197 CO 0.00 -0.68 0.79 2.56 0.00 0.00 0.00 173.10 175.77 3mu8 s PRO 198 N -5.57 3.98 -0.26 2.90 0.04 -1.26 -0.62 135.00 134.20 3mu8 s PRO 198 Ca 0.70 0.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.39 3mu8 s PRO 198 Cb -0.05 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.13 3mu8 s PRO 198 CO 0.49 0.06 0.02 -1.17 0.04 0.00 0.00 177.00 176.44 3mu8 s LEU 199 N -3.28 3.44 -0.24 -3.56 2.96 -0.27 -3.29 118.68 114.44 3mu8 s LEU 199 Ca 0.55 -0.63 -0.10 0.00 -0.22 0.00 0.00 54.13 53.73 3mu8 s LEU 199 Cb -0.10 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 3mu8 s LEU 199 CO 0.21 -0.12 0.14 -1.00 -1.32 0.00 0.00 176.35 174.25 3mu8 s HIS 200 N 1.46 3.27 -0.04 5.38 3.76 0.11 -1.03 115.29 128.20 3mu8 s HIS 200 Ca 0.03 0.12 0.04 0.00 -0.15 0.00 0.00 55.06 55.10 3mu8 s HIS 200 Cb -0.16 -2.25 -0.00 0.00 1.11 0.00 0.00 32.58 31.28 3mu8 s HIS 200 CO -0.00 0.01 -0.17 0.00 -0.85 0.00 0.00 174.74 173.73 3mu8 s LEU 202 N 0.07 4.05 -0.07 0.00 2.96 -1.10 -1.49 118.68 123.10 3mu8 s LEU 202 Ca -0.04 0.51 -0.00 0.00 -0.22 0.00 0.00 54.13 54.38 3mu8 s LEU 202 Cb -0.12 -3.17 0.02 0.00 0.50 0.00 0.00 46.19 43.43 3mu8 s LEU 202 CO 0.02 -0.80 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.53 3mu8 s VAL 203 N 3.30 0.64 -1.50 1.68 1.01 0.27 -4.77 120.40 121.04 3mu8 s VAL 203 Ca 0.35 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 3mu8 s VAL 203 Cb -0.13 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.62 3mu8 s VAL 203 CO 0.18 0.28 0.98 0.59 0.00 0.00 0.00 175.10 177.13 3mu8 n ASN 204 N 4.64 -4.68 0.00 3.32 3.02 -1.26 -2.01 115.26 118.29 3mu8 n ASN 204 Ca -0.15 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 3mu8 n ASN 204 Cb 0.50 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 3mu8 n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mu8 n GLY 205 N -1.72 1.65 3.43 7.41 0.00 -1.26 -5.02 105.19 109.69 3mu8 n GLY 205 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 3mu8 n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mu8 s GLN 206 N -0.25 1.54 0.04 1.61 -1.52 -0.85 -5.10 119.66 115.13 3mu8 s GLN 206 Ca 0.00 -1.48 -0.21 0.00 -1.95 0.00 0.00 55.36 51.72 3mu8 s GLN 206 Cb 0.00 -1.88 -0.06 0.00 -0.22 0.00 0.00 33.01 30.85 3mu8 s GLN 206 CO 0.00 0.41 0.62 0.71 -0.25 0.00 0.00 175.29 176.78 3mu8 s TYR 207 N -1.58 3.74 0.11 0.91 2.02 -1.26 -0.56 117.35 120.73 3mu8 s TYR 207 Ca 0.20 1.29 0.04 0.00 -0.37 0.00 0.00 57.07 58.22 3mu8 s TYR 207 Cb -0.08 -2.62 -0.04 0.00 -0.40 0.00 0.00 41.96 38.82 3mu8 s TYR 207 CO 0.10 0.42 -0.09 0.00 -1.57 0.00 0.00 175.55 174.40 3mu8 s ALA 208 N -0.50 1.17 -0.57 3.71 0.00 -0.56 -4.70 121.76 120.31 3mu8 s ALA 208 Ca 0.32 -1.29 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 3mu8 s ALA 208 Cb -0.19 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.05 3mu8 s ALA 208 CO 0.19 -0.09 0.81 0.08 0.00 0.00 0.00 175.76 176.75 3mu8 s VAL 209 N -2.88 4.60 -0.43 0.00 1.01 0.08 -0.90 120.40 121.88 3mu8 s VAL 209 Ca 0.09 -0.34 0.23 0.00 0.00 0.00 0.00 61.98 61.96 3mu8 s VAL 209 Cb -0.00 -4.49 -0.12 0.00 0.00 0.00 0.00 36.38 31.77 3mu8 s VAL 209 CO -0.01 -1.10 0.95 1.41 0.00 0.00 0.00 175.10 176.35 3mu8 n HIS 210 N 6.92 0.40 -3.92 5.22 8.25 -0.20 -4.27 115.22 127.62 3mu8 n HIS 210 Ca -0.04 0.12 -0.10 0.00 -0.26 0.00 0.00 57.72 57.43 3mu8 n HIS 210 Cb 0.45 -0.58 -0.10 0.00 1.12 0.00 0.00 29.99 30.88 3mu8 n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3mu8 s GLY 211 N -3.97 0.14 -0.23 -1.41 0.00 -1.16 -1.44 107.32 99.25 3mu8 s GLY 211 Ca 0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 44.72 44.34 3mu8 s GLY 211 CO 0.81 -0.46 -0.04 0.14 0.00 0.00 0.00 173.10 173.56 3mu8 s VAL 212 N -1.43 3.34 0.14 1.40 1.01 -0.70 -1.11 120.40 123.04 3mu8 s VAL 212 Ca -0.15 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 60.93 3mu8 s VAL 212 Cb -0.09 -2.56 -0.11 0.00 0.00 0.00 0.00 36.38 33.63 3mu8 s VAL 212 CO 0.00 0.37 1.82 0.41 0.00 0.00 0.00 175.10 177.70 3mu8 n THR 213 N 4.78 0.31 -0.01 3.92 -1.04 0.21 -0.28 114.28 122.18 3mu8 n THR 213 Ca -0.18 -0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 61.73 3mu8 n THR 213 Cb 0.50 -2.10 -0.02 0.00 -1.82 0.00 0.00 70.33 66.89 3mu8 n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3mu8 n SER 214 N 5.37 0.71 -3.50 8.00 2.88 0.18 -0.53 113.62 126.74 3mu8 n SER 214 Ca 0.18 0.11 -0.12 0.00 -1.33 0.00 0.00 58.87 57.71 3mu8 n SER 214 Cb 0.37 -0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 63.54 3mu8 n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3mu8 s PHE 215 N -2.13 -0.42 0.37 0.66 -0.71 -0.76 -4.94 117.98 110.04 3mu8 s PHE 215 Ca -0.07 0.18 0.04 0.00 -1.04 0.00 0.00 56.93 56.04 3mu8 s PHE 215 Cb 0.02 0.45 -0.06 0.00 -1.21 0.00 0.00 43.02 42.23 3mu8 s PHE 215 CO 0.10 -0.79 0.06 0.14 -1.34 0.00 0.00 175.22 173.38 3mu8 s VAL 216 N -3.73 1.25 0.32 -2.49 -7.23 -1.26 -1.14 120.40 106.12 3mu8 s VAL 216 Ca 0.02 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 3mu8 s VAL 216 Cb 0.00 -2.72 -0.10 0.00 0.56 0.00 0.00 36.38 34.12 3mu8 s VAL 216 CO -0.12 0.00 1.28 -0.94 -0.31 0.00 0.00 175.10 175.00 3mu8 s SER 217 N -3.58 6.85 0.59 4.85 1.04 -1.24 -4.89 113.70 117.32 3mu8 s SER 217 Ca 0.32 2.63 0.29 0.00 0.48 0.00 0.00 55.95 59.66 3mu8 s SER 217 Cb 0.08 -2.65 1.57 0.00 0.10 0.00 0.00 66.02 65.12 3mu8 s SER 217 CO 0.15 -0.48 2.01 0.03 0.98 0.00 0.00 173.24 175.93 3mu8 h ARG 217 N 3.46 0.00 -0.01 4.02 3.08 -2.00 -1.88 114.38 121.05 3mu8 h ARG 217 Ca -0.49 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.40 3mu8 h ARG 217 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 3mu8 h ARG 217 CO 0.66 0.00 -0.74 -0.07 -1.07 0.00 0.00 179.97 178.75 3mu8 h LEU 218 N 0.00 0.10 0.00 3.04 3.38 -2.04 -3.48 115.31 116.31 3mu8 h LEU 218 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3mu8 h LEU 218 Cb 0.80 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3mu8 h LEU 218 CO -0.00 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.94 3mu8 n GLY 219 N 0.57 0.97 0.26 0.83 0.00 -0.70 -5.05 105.19 102.06 3mu8 n GLY 219 Ca -0.02 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 3mu8 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mu8 s ASN 221 N -4.90 6.61 -0.09 0.00 4.22 -1.26 -4.69 114.94 114.83 3mu8 s ASN 221 Ca -0.09 -2.40 0.03 0.00 -2.14 0.00 0.00 52.86 48.26 3mu8 s ASN 221 Cb 0.01 -2.23 0.01 0.00 1.28 0.00 0.00 41.25 40.32 3mu8 s ASN 221 CO 0.27 -0.70 -0.18 -0.69 -2.04 0.00 0.00 177.10 173.76 3mu8 s VAL 221 N 0.79 1.61 0.27 3.54 1.01 -1.26 -4.68 120.40 121.68 3mu8 s VAL 221 Ca 0.16 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3mu8 s VAL 221 Cb -0.14 -1.43 -0.11 0.00 0.00 0.00 0.00 36.38 34.70 3mu8 s VAL 221 CO -0.06 0.46 1.50 -0.89 0.00 0.00 0.00 175.10 176.11 3mu8 s THR 222 N 0.60 2.42 -1.77 3.92 2.01 -1.26 -1.51 115.64 120.04 3mu8 s THR 222 Ca -0.15 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.21 3mu8 s THR 222 Cb -0.17 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.12 3mu8 s THR 222 CO 0.05 0.06 0.00 0.54 -0.69 0.00 0.00 174.62 174.58 3mu8 n ARG 223 N 2.18 -1.21 -3.52 4.92 1.74 -0.51 -4.92 116.66 115.34 3mu8 n ARG 223 Ca 0.07 1.09 -0.27 0.00 -0.77 0.00 0.00 57.85 57.97 3mu8 n ARG 223 Cb 0.39 -5.32 -0.09 0.00 -1.02 0.00 0.00 32.46 26.42 3mu8 n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mu8 n LYS 224 N -2.41 1.57 -1.36 5.56 4.76 -0.57 -4.22 118.16 121.48 3mu8 n LYS 224 Ca -0.17 -4.09 -0.34 0.00 -2.87 0.00 0.00 58.31 50.85 3mu8 n LYS 224 Cb 0.56 -1.97 0.10 0.00 -1.84 0.00 0.00 35.03 31.88 3mu8 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3mu8 s PRO 225 N -1.48 2.04 0.44 1.97 0.04 -1.26 -4.52 135.00 132.22 3mu8 s PRO 225 Ca 0.33 1.72 -0.26 0.00 0.04 0.00 0.00 61.00 62.84 3mu8 s PRO 225 Cb 0.07 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 3mu8 s PRO 225 CO -0.11 -1.90 1.40 0.99 0.04 0.00 0.00 177.00 177.42 3mu8 s THR 226 N -2.07 2.19 -0.11 1.26 2.01 -0.48 -4.75 115.64 113.68 3mu8 s THR 226 Ca 0.73 0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.90 3mu8 s THR 226 Cb -0.28 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 3mu8 s THR 226 CO 0.47 0.02 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.62 3mu8 s VAL 227 N -1.21 3.28 0.12 3.82 1.01 -0.29 -1.61 120.40 125.51 3mu8 s VAL 227 Ca 0.60 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 62.08 3mu8 s VAL 227 Cb -0.43 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3mu8 s VAL 227 CO 0.55 0.54 -0.25 -0.36 0.00 0.00 0.00 175.10 175.58 3mu8 s PHE 228 N 0.05 2.12 0.21 5.22 0.08 0.18 -0.64 117.98 125.19 3mu8 s PHE 228 Ca -0.04 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.32 3mu8 s PHE 228 Cb -0.14 -1.15 -0.10 0.00 -0.57 0.00 0.00 43.02 41.06 3mu8 s PHE 228 CO 0.04 0.29 1.45 0.99 -0.10 0.00 0.00 175.22 177.89 3mu8 s THR 229 N -1.10 2.79 -0.51 0.64 2.01 0.62 -0.56 115.64 119.52 3mu8 s THR 229 Ca 0.11 0.63 -0.26 0.00 0.31 0.00 0.00 61.69 62.47 3mu8 s THR 229 Cb -0.10 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 69.04 3mu8 s THR 229 CO 0.05 0.08 1.03 -0.60 -0.69 0.00 0.00 174.62 174.49 3mu8 s ARG 230 N 0.17 3.52 0.32 4.92 3.52 -0.18 -1.72 118.95 129.50 3mu8 s ARG 230 Ca 0.62 0.17 0.03 0.00 -0.13 0.00 0.00 55.73 56.41 3mu8 s ARG 230 Cb -0.41 -3.97 0.60 0.00 -1.56 0.00 0.00 34.95 29.62 3mu8 s ARG 230 CO 0.38 -1.41 1.90 0.28 -0.81 0.00 0.00 175.30 175.65 3mu8 h VAL 231 N 6.12 1.01 0.00 7.11 2.07 -1.55 -1.73 116.25 129.28 3mu8 h VAL 231 Ca -0.24 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3mu8 h VAL 231 Cb 1.07 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3mu8 h VAL 231 CO 1.09 0.17 0.00 -1.54 0.02 0.00 0.00 177.57 177.32 3mu8 n SER 232 N -4.51 0.44 0.00 0.57 3.41 -1.26 -0.84 113.62 111.44 3mu8 n SER 232 Ca 0.14 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.51 3mu8 n SER 232 Cb 0.26 -0.72 0.55 0.00 -0.26 0.00 0.00 64.21 64.05 3mu8 n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mu8 n ALA 233 N -1.69 2.20 -0.43 7.33 0.00 -0.65 -1.75 120.51 125.51 3mu8 n ALA 233 Ca 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.39 3mu8 n ALA 233 Cb 0.17 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.22 3mu8 n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mu8 n TYR 234 N -1.53 0.00 -0.12 0.00 4.02 -0.02 -4.79 117.16 114.72 3mu8 n TYR 234 Ca 0.06 -0.46 -0.06 0.00 -0.01 0.00 0.00 57.90 57.44 3mu8 n TYR 234 Cb 0.31 -0.06 0.03 0.00 -0.02 0.00 0.00 39.34 39.60 3mu8 n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3mu8 h ILE 235 N 0.87 0.92 -0.54 -0.72 1.08 -1.71 0.06 117.51 117.46 3mu8 h ILE 235 Ca 0.00 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 3mu8 h ILE 235 Cb 0.71 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 3mu8 h ILE 235 CO 0.00 0.06 0.29 0.77 -0.69 0.00 0.00 178.15 178.58 3mu8 h SER 236 N 0.35 0.69 0.09 1.72 4.64 -1.92 -1.44 113.55 117.69 3mu8 h SER 236 Ca 0.18 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.41 3mu8 h SER 236 Cb 0.13 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3mu8 h SER 236 CO -0.16 0.60 -0.18 -0.25 -0.87 0.00 0.00 176.83 175.97 3mu8 h TRP 237 N 0.73 -0.47 -0.26 4.77 7.01 -1.78 -0.03 115.95 125.93 3mu8 h TRP 237 Ca 0.19 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.24 3mu8 h TRP 237 Cb 0.07 0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.29 3mu8 h TRP 237 CO -0.01 -0.26 0.02 0.82 -2.79 0.00 0.00 178.44 176.22 3mu8 h ILE 238 N -0.34 0.84 -0.81 2.65 2.04 -0.82 -1.21 117.51 119.85 3mu8 h ILE 238 Ca 0.03 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3mu8 h ILE 238 Cb 0.36 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3mu8 h ILE 238 CO -0.10 0.02 0.47 0.78 0.00 0.00 0.00 178.15 179.31 3mu8 h ASN 239 N 0.11 1.00 -0.56 1.72 2.35 -1.13 -2.02 115.58 117.06 3mu8 h ASN 239 Ca 0.12 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3mu8 h ASN 239 Cb 0.14 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3mu8 h ASN 239 CO -0.18 0.79 0.37 0.78 -1.65 0.00 0.00 177.43 177.54 3mu8 h ASN 240 N 1.12 0.63 -0.17 5.81 2.35 -0.56 -0.96 115.58 123.80 3mu8 h ASN 240 Ca 0.29 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3mu8 h ASN 240 Cb -0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3mu8 h ASN 240 CO -0.05 0.45 0.06 0.58 -1.65 0.00 0.00 177.43 176.83 3mu8 h VAL 241 N 0.75 1.16 -0.36 2.81 2.07 -0.94 -2.10 116.25 119.65 3mu8 h VAL 241 Ca 0.21 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3mu8 h VAL 241 Cb -0.07 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3mu8 h VAL 241 CO -0.05 0.16 -0.14 0.40 0.02 0.00 0.00 177.57 177.95 3mu8 h ILE 242 N 0.11 1.25 -0.10 4.57 2.04 -1.16 -1.93 117.51 122.29 3mu8 h ILE 242 Ca 0.06 -1.15 -0.14 0.00 1.00 0.00 0.00 64.86 64.63 3mu8 h ILE 242 Cb 0.19 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3mu8 h ILE 242 CO -0.00 0.38 -0.54 0.00 0.00 0.00 0.00 178.15 177.99 3mu8 h ALA 243 N 1.26 0.89 -0.16 1.87 0.00 -1.12 -2.96 119.26 119.05 3mu8 h ALA 243 Ca 0.10 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 3mu8 h ALA 243 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3mu8 h ALA 243 CO 0.04 0.69 -0.42 0.77 0.00 0.00 0.00 179.25 180.33 3mu8 h SER 244 N 0.23 0.64 -0.03 0.00 0.02 -1.04 -3.51 113.55 109.86 3mu8 h SER 244 Ca 0.00 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 3mu8 h SER 244 Cb 1.03 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3mu8 h SER 244 CO 0.09 1.11 0.00 0.59 -1.14 0.00 0.00 176.83 177.47