#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s78 h GLN 2 N 0.00 0.00 -5.57 -2.82 3.07 -1.96 -3.38 115.11 104.44 1s78 h GLN 2 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 58.65 58.08 1s78 h GLN 2 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 27.48 27.33 1s78 h GLN 2 CO 0.00 0.20 -0.72 0.08 0.09 0.00 0.00 178.83 178.48 1s78 s VAL 3 N -3.10 3.46 0.05 1.86 1.01 -1.26 -0.28 120.40 122.14 1s78 s VAL 3 Ca -0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1s78 s VAL 3 Cb 0.08 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 1s78 s VAL 3 CO 0.78 0.54 0.12 0.00 0.00 0.00 0.00 175.10 176.53 1s78 s THR 5 N -3.18 5.16 0.38 0.00 2.01 -1.26 -0.42 115.64 118.34 1s78 s THR 5 Ca -0.00 0.99 -0.06 0.00 0.31 0.00 0.00 61.69 62.92 1s78 s THR 5 Cb 0.02 -3.84 0.09 0.00 0.01 0.00 0.00 72.50 68.78 1s78 s THR 5 CO -0.07 0.29 0.45 0.61 -0.69 0.00 0.00 174.62 175.22 1s78 n GLY 6 N 3.37 -1.62 4.01 4.40 0.00 0.11 -4.92 105.19 110.54 1s78 n GLY 6 Ca -0.06 -1.62 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 1s78 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s78 s THR 7 N -1.95 2.92 -0.42 2.61 -4.23 -0.70 -4.69 115.64 109.19 1s78 s THR 7 Ca 0.27 -0.96 0.07 0.00 -1.18 0.00 0.00 61.69 59.88 1s78 s THR 7 Cb -0.01 -2.96 0.22 0.00 1.34 0.00 0.00 72.50 71.10 1s78 s THR 7 CO 0.19 0.00 0.53 -0.67 -0.54 0.00 0.00 174.62 174.13 1s78 n ASP 8 N -1.92 -0.60 0.00 3.99 2.03 -0.09 -3.88 116.55 116.07 1s78 n ASP 8 Ca 0.08 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.70 1s78 n ASP 8 Cb 0.59 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 1s78 n ASP 8 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1s78 n MET 9 N 1.92 2.93 0.00 -0.67 0.00 -1.24 -4.14 117.12 115.91 1s78 n MET 9 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.92 1s78 n MET 9 Cb 0.53 -0.73 0.00 0.00 0.00 0.00 0.00 33.22 33.02 1s78 n MET 9 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1s78 n LYS 10 N -1.13 0.00 0.00 3.17 4.01 -1.26 -2.09 118.16 120.87 1s78 n LYS 10 Ca 0.00 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 57.94 1s78 n LYS 10 Cb 0.00 0.00 0.60 0.00 -0.51 0.00 0.00 35.03 35.12 1s78 n LYS 10 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1s78 n LEU 11 N 0.00 0.57 -4.63 -0.35 4.77 -1.26 -4.87 117.00 111.22 1s78 n LEU 11 Ca 0.00 -0.05 -0.43 0.00 -0.03 0.00 0.00 56.01 55.50 1s78 n LEU 11 Cb 0.00 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1s78 n LEU 11 CO 0.00 0.10 0.68 0.54 -1.33 0.00 0.00 177.39 177.39 1s78 n ARG 12 N -0.85 1.61 -3.56 3.23 1.74 -0.89 -4.94 116.66 113.01 1s78 n ARG 12 Ca 0.15 0.57 -0.33 0.00 -0.77 0.00 0.00 57.85 57.47 1s78 n ARG 12 Cb 0.28 -2.05 -0.05 0.00 -1.02 0.00 0.00 32.46 29.62 1s78 n ARG 12 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1s78 s LEU 13 N -0.28 4.27 0.14 0.55 0.05 -1.26 -4.99 118.68 117.15 1s78 s LEU 13 Ca 0.59 0.77 -0.32 0.00 0.05 0.00 0.00 54.13 55.21 1s78 s LEU 13 Cb -0.62 -3.30 -0.12 0.00 -2.05 0.00 0.00 46.19 40.10 1s78 s LEU 13 CO 0.60 0.06 1.76 -2.65 -0.55 0.00 0.00 176.35 175.57 1s78 n PRO 14 N 0.33 2.62 0.26 1.48 -0.02 -1.26 -4.87 135.00 133.54 1s78 n PRO 14 Ca -0.04 0.95 0.09 0.00 -2.02 0.00 0.00 63.50 62.48 1s78 n PRO 14 Cb 0.52 -2.80 0.65 0.00 -0.02 0.00 0.00 33.50 31.85 1s78 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s78 h ALA 15 N 7.59 1.78 -3.01 3.55 0.00 -2.03 -3.31 119.26 123.82 1s78 h ALA 15 Ca -0.45 -0.06 -0.54 0.00 0.00 0.00 0.00 54.91 53.86 1s78 h ALA 15 Cb 1.23 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.61 1s78 h ALA 15 CO 0.94 0.08 -0.77 0.45 0.00 0.00 0.00 179.25 179.95 1s78 s SER 16 N -6.83 3.51 0.28 0.00 0.15 -1.26 -5.03 113.70 104.52 1s78 s SER 16 Ca -0.05 -1.28 0.07 0.00 0.70 0.00 0.00 55.95 55.39 1s78 s SER 16 Cb 0.16 -0.56 0.41 0.00 -1.71 0.00 0.00 66.02 64.32 1s78 s SER 16 CO 0.65 -0.40 1.66 -0.65 1.20 0.00 0.00 173.24 175.70 1s78 h PRO 17 N 8.27 0.19 -0.07 5.44 0.11 -1.98 -3.05 132.00 140.92 1s78 h PRO 17 Ca -0.17 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 1s78 h PRO 17 Cb 1.04 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1s78 h PRO 17 CO 0.42 0.64 -0.15 0.93 -0.21 0.00 0.00 178.00 179.63 1s78 h GLU 18 N 0.16 0.10 -0.47 1.05 3.07 -1.95 -2.48 114.58 114.05 1s78 h GLU 18 Ca 0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1s78 h GLU 18 Cb 0.91 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1s78 h GLU 18 CO 0.07 0.25 0.00 0.25 -1.40 0.00 0.00 179.01 178.19 1s78 n THR 19 N -4.32 1.53 -0.09 1.13 -2.24 -1.16 -4.66 114.28 104.48 1s78 n THR 19 Ca -0.02 -1.24 -0.12 0.00 -2.27 0.00 0.00 64.05 60.41 1s78 n THR 19 Cb 0.24 0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 1s78 n THR 19 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1s78 h HIS 20 N 2.89 0.57 -0.50 4.78 6.17 -1.34 -1.85 115.15 125.87 1s78 h HIS 20 Ca 0.00 -0.12 -0.10 0.00 0.71 0.00 0.00 60.37 60.86 1s78 h HIS 20 Cb 1.14 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 30.91 1s78 h HIS 20 CO 0.49 0.72 -0.08 1.25 0.71 0.00 0.00 177.93 181.01 1s78 h LEU 21 N 0.25 0.93 -1.36 0.26 6.46 -1.83 -2.73 115.31 117.30 1s78 h LEU 21 Ca 0.07 -0.35 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1s78 h LEU 21 Cb 0.53 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 1s78 h LEU 21 CO 0.03 1.06 0.41 -0.78 -0.62 0.00 0.00 178.44 178.54 1s78 h ASP 22 N 0.79 0.73 -0.57 1.25 -0.00 -1.84 0.04 116.42 116.82 1s78 h ASP 22 Ca 0.13 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.03 57.12 1s78 h ASP 22 Cb 0.63 -0.18 -0.03 0.00 -0.00 0.00 0.00 39.33 39.75 1s78 h ASP 22 CO 0.04 0.54 0.29 -0.03 -0.00 0.00 0.00 179.24 180.08 1s78 h MET 23 N 0.86 0.82 -0.40 0.28 4.05 -1.05 -1.98 114.93 117.51 1s78 h MET 23 Ca 0.23 -0.11 -0.08 0.00 -0.28 0.00 0.00 59.70 59.46 1s78 h MET 23 Cb -0.08 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.55 1s78 h MET 23 CO -0.05 0.65 -0.07 -0.07 0.23 0.00 0.00 176.91 177.61 1s78 h LEU 24 N 0.77 0.74 0.31 3.39 4.07 -1.07 -1.94 115.31 121.59 1s78 h LEU 24 Ca 0.20 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1s78 h LEU 24 Cb 0.10 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 1s78 h LEU 24 CO -0.03 0.92 -0.42 -0.09 -1.08 0.00 0.00 178.44 177.73 1s78 h ARG 25 N 0.56 -0.76 -0.59 1.13 2.43 -0.89 -2.00 114.38 114.25 1s78 h ARG 25 Ca 0.10 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.41 1s78 h ARG 25 Cb 0.57 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 1s78 h ARG 25 CO 0.03 -0.50 0.39 0.45 -1.51 0.00 0.00 179.97 178.83 1s78 h HIS 26 N -0.79 0.46 0.04 2.20 3.86 -1.26 -0.07 115.15 119.59 1s78 h HIS 26 Ca -0.02 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1s78 h HIS 26 Cb 0.73 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1s78 h HIS 26 CO -0.28 0.22 -0.02 -0.07 0.86 0.00 0.00 177.93 178.64 1s78 h LEU 27 N 0.44 -0.04 -0.23 2.43 4.07 -0.92 -3.38 115.31 117.67 1s78 h LEU 27 Ca 0.27 -0.44 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1s78 h LEU 27 Cb 0.48 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1s78 h LEU 27 CO -0.07 0.43 -0.59 -1.22 -1.08 0.00 0.00 178.44 175.90 1s78 n TYR 28 N -4.89 0.00 -1.56 1.13 4.02 -0.79 -4.83 117.16 110.24 1s78 n TYR 28 Ca -0.08 0.00 -0.56 0.00 -0.01 0.00 0.00 57.90 57.25 1s78 n TYR 28 Cb 0.25 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.49 1s78 n TYR 28 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1s78 n GLN 29 N -1.03 0.94 -1.65 -0.72 -0.06 -0.07 -0.75 117.38 114.04 1s78 n GLN 29 Ca 0.04 0.31 -0.18 0.00 -2.00 0.00 0.00 57.00 55.17 1s78 n GLN 29 Cb 0.25 -2.13 -0.07 0.00 -4.06 0.00 0.00 30.24 24.24 1s78 n GLN 29 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1s78 n GLY 30 N 5.47 1.45 3.84 1.69 0.00 -1.26 -5.00 105.19 111.37 1s78 n GLY 30 Ca 0.36 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1s78 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s78 n GLN 32 N 1.62 0.18 -4.12 0.00 6.02 0.62 -2.92 117.38 118.77 1s78 n GLN 32 Ca -0.16 0.04 -0.35 0.00 -0.01 0.00 0.00 57.00 56.52 1s78 n GLN 32 Cb 0.54 -1.13 -0.11 0.00 1.02 0.00 0.00 30.24 30.55 1s78 n GLN 32 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1s78 s VAL 33 N -2.14 4.30 -0.47 5.09 1.01 0.06 0.03 120.40 128.27 1s78 s VAL 33 Ca -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1s78 s VAL 33 Cb 0.02 -2.93 0.13 0.00 0.00 0.00 0.00 36.38 33.60 1s78 s VAL 33 CO 0.16 0.45 0.26 -0.69 0.00 0.00 0.00 175.10 175.28 1s78 s VAL 34 N 0.63 3.24 0.09 2.92 1.01 -0.03 -1.05 120.40 127.20 1s78 s VAL 34 Ca 0.01 -2.47 -0.31 0.00 0.00 0.00 0.00 61.98 59.21 1s78 s VAL 34 Cb -0.14 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 1s78 s VAL 34 CO 0.02 -0.75 1.77 -1.10 0.00 0.00 0.00 175.10 175.04 1s78 s GLN 35 N 0.63 4.16 1.23 2.72 -1.52 0.44 -0.92 119.66 126.42 1s78 s GLN 35 Ca 0.12 2.48 0.00 0.00 -1.95 0.00 0.00 55.36 56.01 1s78 s GLN 35 Cb -0.22 -3.67 0.00 0.00 -0.22 0.00 0.00 33.01 28.90 1s78 s GLN 35 CO -0.04 -0.81 0.00 0.41 -0.25 0.00 0.00 175.29 174.60 1s78 n GLY 36 N 4.17 -0.59 3.52 3.09 0.00 -1.26 0.07 105.19 114.18 1s78 n GLY 36 Ca 0.17 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 1s78 n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s78 s ASN 37 N -4.00 4.80 -0.60 1.61 0.01 -1.25 -0.55 114.94 114.96 1s78 s ASN 37 Ca 0.00 -0.10 -0.26 0.00 -0.71 0.00 0.00 52.86 51.79 1s78 s ASN 37 Cb 0.00 -1.69 0.04 0.00 0.41 0.00 0.00 41.25 40.01 1s78 s ASN 37 CO 0.00 0.21 1.09 -0.22 -1.51 0.00 0.00 177.10 176.66 1s78 s LEU 38 N 0.13 3.75 -0.30 0.60 2.96 -0.68 -1.72 118.68 123.43 1s78 s LEU 38 Ca -0.01 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1s78 s LEU 38 Cb -0.14 -2.89 0.04 0.00 0.50 0.00 0.00 46.19 43.70 1s78 s LEU 38 CO 0.03 -1.43 0.01 -1.61 -1.32 0.00 0.00 176.35 172.04 1s78 s GLU 39 N 4.59 2.59 -0.44 1.98 2.02 -1.26 -0.44 118.70 127.74 1s78 s GLU 39 Ca 0.35 -1.16 -0.02 0.00 0.02 0.00 0.00 54.97 54.16 1s78 s GLU 39 Cb -0.10 -3.21 0.12 0.00 0.10 0.00 0.00 34.13 31.03 1s78 s GLU 39 CO 0.20 -0.57 0.23 -0.51 0.02 0.00 0.00 175.26 174.63 1s78 s LEU 40 N 1.31 5.20 0.04 1.80 1.43 0.91 -4.93 118.68 124.44 1s78 s LEU 40 Ca -0.03 -2.18 0.04 0.00 -1.03 0.00 0.00 54.13 50.93 1s78 s LEU 40 Cb -0.19 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1s78 s LEU 40 CO -0.01 -0.50 -0.12 0.42 0.23 0.00 0.00 176.35 176.37 1s78 s THR 41 N 0.92 0.96 -0.86 5.49 -4.23 -1.26 -1.93 115.64 114.73 1s78 s THR 41 Ca 0.10 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1s78 s THR 41 Cb -0.22 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1s78 s THR 41 CO -0.04 -0.05 0.00 -1.22 -0.54 0.00 0.00 174.62 172.77 1s78 n TYR 42 N 1.91 -0.35 -2.71 3.99 4.02 -1.11 -4.98 117.16 117.94 1s78 n TYR 42 Ca -0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.28 1s78 n TYR 42 Cb 0.55 -2.24 -0.03 0.00 -0.02 0.00 0.00 39.34 37.60 1s78 n TYR 42 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1s78 s LEU 43 N -2.61 4.20 0.96 7.72 1.43 -1.26 -4.94 118.68 124.19 1s78 s LEU 43 Ca 0.00 1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 54.42 1s78 s LEU 43 Cb 0.00 -3.51 0.17 0.00 0.03 0.00 0.00 46.19 42.88 1s78 s LEU 43 CO 0.00 -0.50 1.09 -2.16 0.23 0.00 0.00 176.35 175.01 1s78 s PRO 44 N 2.35 0.70 0.53 1.29 0.04 -1.26 -0.74 135.00 137.91 1s78 s PRO 44 Ca 0.46 0.64 0.31 0.00 0.04 0.00 0.00 61.00 62.44 1s78 s PRO 44 Cb -0.17 -1.76 1.46 0.00 0.04 0.00 0.00 34.50 34.07 1s78 s PRO 44 CO 0.14 -2.58 1.90 0.00 0.04 0.00 0.00 177.00 176.50 1s78 h THR 45 N -1.79 0.58 0.00 1.26 1.03 -1.96 -2.43 112.91 109.59 1s78 h THR 45 Ca -0.53 -0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 65.83 1s78 h THR 45 Cb 1.31 0.56 -0.01 0.00 -1.07 0.00 0.00 68.15 68.95 1s78 h THR 45 CO 0.56 0.00 -1.70 -0.46 -0.01 0.00 0.00 175.52 173.91 1s78 n ASN 46 N -4.29 1.69 -2.71 0.00 6.94 -1.26 -4.26 115.26 111.38 1s78 n ASN 46 Ca 0.18 0.00 -0.39 0.00 -0.02 0.00 0.00 54.58 54.35 1s78 n ASN 46 Cb 0.92 1.53 -0.06 0.00 -2.36 0.00 0.00 39.78 39.80 1s78 n ASN 46 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1s78 n ALA 47 N -2.08 -0.49 -2.42 -2.53 0.00 -0.92 -4.88 120.51 107.20 1s78 n ALA 47 Ca -0.06 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 1s78 n ALA 47 Cb 0.47 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 1s78 n ALA 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1s78 s SER 48 N 2.37 6.36 -0.30 0.00 0.15 -1.26 -4.88 113.70 116.14 1s78 s SER 48 Ca 0.65 0.63 0.11 0.00 0.70 0.00 0.00 55.95 58.04 1s78 s SER 48 Cb -0.89 -2.54 0.69 0.00 -1.71 0.00 0.00 66.02 61.57 1s78 s SER 48 CO 0.45 -1.45 1.71 0.18 1.20 0.00 0.00 173.24 175.34 1s78 n LEU 49 N 8.76 5.55 -0.32 3.45 4.77 -1.26 -4.66 117.00 133.28 1s78 n LEU 49 Ca 0.15 -3.25 0.28 0.00 -0.03 0.00 0.00 56.01 53.16 1s78 n LEU 49 Cb 0.48 -0.70 0.62 0.00 -2.33 0.00 0.00 43.42 41.49 1s78 n LEU 49 CO 0.71 0.84 1.26 0.77 -1.33 0.00 0.00 177.39 179.64 1s78 h SER 50 N 2.38 0.25 0.19 -1.43 4.64 -1.97 -2.02 113.55 115.59 1s78 h SER 50 Ca 0.22 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1s78 h SER 50 Cb 2.13 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.23 1s78 h SER 50 CO 0.62 0.04 0.00 2.22 -0.87 0.00 0.00 176.83 178.84 1s78 n PHE 51 N -4.45 0.18 0.89 4.77 1.16 -1.26 -2.06 117.46 116.69 1s78 n PHE 51 Ca 0.26 0.09 0.12 0.00 -1.87 0.00 0.00 57.45 56.05 1s78 n PHE 51 Cb 1.05 -0.64 0.30 0.00 -1.61 0.00 0.00 39.48 38.58 1s78 n PHE 51 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1s78 n LEU 52 N -1.68 0.47 0.00 5.98 4.77 -0.76 -4.03 117.00 121.75 1s78 n LEU 52 Ca 0.01 0.16 0.01 0.00 -0.03 0.00 0.00 56.01 56.16 1s78 n LEU 52 Cb 0.07 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 40.94 1s78 n LEU 52 CO 0.07 0.05 0.22 0.00 -1.33 0.00 0.00 177.39 176.39 1s78 n GLN 53 N -1.67 0.21 -0.00 3.23 10.64 -0.88 -2.15 117.38 126.76 1s78 n GLN 53 Ca 0.05 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.24 1s78 n GLN 53 Cb 0.36 -1.17 0.01 0.00 -0.86 0.00 0.00 30.24 28.58 1s78 n GLN 53 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1s78 n ASP 54 N -0.67 1.27 -4.67 2.61 8.00 -1.26 -4.68 116.55 117.14 1s78 n ASP 54 Ca 0.02 -1.14 -0.43 0.00 0.71 0.00 0.00 54.79 53.95 1s78 n ASP 54 Cb 0.01 -0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1s78 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1s78 s ILE 55 N -0.26 4.53 -0.21 0.53 1.01 -0.92 -3.70 121.20 122.18 1s78 s ILE 55 Ca 0.04 1.84 0.06 0.00 0.00 0.00 0.00 60.65 62.58 1s78 s ILE 55 Cb 0.03 -4.18 -0.17 0.00 0.01 0.00 0.00 42.46 38.14 1s78 s ILE 55 CO 0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 174.94 174.74 1s78 n GLN 56 N 5.97 0.72 -4.11 2.79 6.02 0.10 -1.64 117.38 127.23 1s78 n GLN 56 Ca 0.12 0.09 -0.19 0.00 -0.01 0.00 0.00 57.00 57.01 1s78 n GLN 56 Cb 0.46 -1.46 -0.16 0.00 1.02 0.00 0.00 30.24 30.10 1s78 n GLN 56 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1s78 s GLU 57 N -2.45 0.66 -0.19 -1.09 2.12 -0.57 0.13 118.70 117.31 1s78 s GLU 57 Ca -0.25 -0.06 -0.00 0.00 0.36 0.00 0.00 54.97 55.02 1s78 s GLU 57 Cb 0.07 -0.71 0.01 0.00 0.26 0.00 0.00 34.13 33.77 1s78 s GLU 57 CO 0.58 -0.08 -0.16 0.08 -0.54 0.00 0.00 175.26 175.14 1s78 s VAL 58 N 0.86 2.39 0.14 3.70 1.01 -0.67 -0.85 120.40 126.98 1s78 s VAL 58 Ca -0.11 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 1s78 s VAL 58 Cb -0.14 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1s78 s VAL 58 CO -0.00 0.51 1.47 1.56 0.00 0.00 0.00 175.10 178.64 1s78 h GLN 59 N 7.93 0.93 0.00 2.72 4.20 -1.07 -0.32 115.11 129.50 1s78 h GLN 59 Ca -0.44 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 57.79 1s78 h GLN 59 Cb 1.15 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1s78 h GLN 59 CO 0.63 1.14 0.00 0.41 -0.67 0.00 0.00 178.83 180.33 1s78 n GLY 60 N 0.13 0.56 3.51 3.46 0.00 0.29 -1.75 105.19 111.38 1s78 n GLY 60 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1s78 n GLY 60 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s78 s TYR 61 N 1.97 2.27 -0.17 1.61 -0.85 -1.14 -1.40 117.35 119.65 1s78 s TYR 61 Ca 0.00 -0.57 -0.03 0.00 -0.52 0.00 0.00 57.07 55.95 1s78 s TYR 61 Cb 0.00 -1.32 -0.02 0.00 0.38 0.00 0.00 41.96 41.00 1s78 s TYR 61 CO 0.00 0.48 -0.06 0.08 -1.52 0.00 0.00 175.55 174.53 1s78 s VAL 62 N -2.74 3.53 -0.21 -3.49 1.01 0.86 -1.69 120.40 117.67 1s78 s VAL 62 Ca 0.32 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1s78 s VAL 62 Cb 0.03 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1s78 s VAL 62 CO 0.15 0.47 -0.13 -0.22 0.00 0.00 0.00 175.10 175.38 1s78 s LEU 63 N 0.76 2.48 -0.34 3.92 2.96 0.41 -0.05 118.68 128.82 1s78 s LEU 63 Ca -0.02 -0.94 -0.00 0.00 -0.22 0.00 0.00 54.13 52.95 1s78 s LEU 63 Cb -0.15 -1.35 0.08 0.00 0.50 0.00 0.00 46.19 45.28 1s78 s LEU 63 CO 0.02 -0.12 0.06 -0.63 -1.32 0.00 0.00 176.35 174.36 1s78 s ILE 64 N 1.31 2.81 0.01 6.68 1.01 0.03 -0.06 121.20 132.99 1s78 s ILE 64 Ca -0.01 -1.87 -0.11 0.00 0.00 0.00 0.00 60.65 58.66 1s78 s ILE 64 Cb -0.16 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.49 1s78 s ILE 64 CO -0.09 -0.41 0.21 0.00 0.00 0.00 0.00 174.94 174.66 1s78 s ALA 65 N 1.11 -0.50 -1.70 9.38 0.00 -0.81 -1.23 121.76 128.01 1s78 s ALA 65 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 1s78 s ALA 65 Cb -0.21 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1s78 s ALA 65 CO -0.04 -0.27 0.19 0.72 0.00 0.00 0.00 175.76 176.36 1s78 n HIS 66 N 1.18 -1.32 -4.01 0.00 8.25 -0.55 -2.73 115.22 116.04 1s78 n HIS 66 Ca -0.21 0.17 -0.31 0.00 -0.26 0.00 0.00 57.72 57.10 1s78 n HIS 66 Cb 0.57 -4.12 -0.06 0.00 1.12 0.00 0.00 29.99 27.50 1s78 n HIS 66 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1s78 s ASN 67 N -2.26 5.83 -0.00 0.41 0.01 -1.25 -3.15 114.94 114.53 1s78 s ASN 67 Ca 0.10 0.11 0.18 0.00 -0.71 0.00 0.00 52.86 52.54 1s78 s ASN 67 Cb -0.04 -1.67 -0.21 0.00 0.41 0.00 0.00 41.25 39.73 1s78 s ASN 67 CO 0.12 0.19 0.72 0.00 -1.51 0.00 0.00 177.10 176.62 1s78 n GLN 68 N 0.55 0.93 -1.65 -0.60 3.00 0.08 -3.39 117.38 116.30 1s78 n GLN 68 Ca -0.08 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.45 1s78 n GLN 68 Cb 0.52 -1.37 -0.01 0.00 0.00 0.00 0.00 30.24 29.38 1s78 n GLN 68 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1s78 n VAL 69 N -1.54 2.08 0.12 5.09 0.24 -1.21 0.32 118.33 123.42 1s78 n VAL 69 Ca 0.02 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.34 61.80 1s78 n VAL 69 Cb 0.31 -1.31 0.08 0.00 -1.47 0.00 0.00 33.84 31.46 1s78 n VAL 69 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1s78 h ARG 70 N 2.19 0.00 -3.51 7.34 3.08 -1.76 -1.29 114.38 120.43 1s78 h ARG 70 Ca -0.44 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.34 1s78 h ARG 70 Cb 1.31 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 31.04 1s78 h ARG 70 CO 0.61 0.71 -0.69 -1.14 -1.07 0.00 0.00 179.97 178.38 1s78 s GLN 71 N -3.25 0.00 -0.20 0.04 -0.44 -1.26 -1.08 119.66 113.47 1s78 s GLN 71 Ca 0.00 0.19 -0.03 0.00 -2.50 0.00 0.00 55.36 53.02 1s78 s GLN 71 Cb 0.11 -0.17 -0.01 0.00 -1.64 0.00 0.00 33.01 31.30 1s78 s GLN 71 CO 0.77 -0.13 -0.07 0.14 0.50 0.00 0.00 175.29 176.50 1s78 s VAL 72 N 0.84 3.24 -1.47 1.34 -7.23 -1.26 -4.90 120.40 110.96 1s78 s VAL 72 Ca -0.07 -0.55 -0.08 0.00 -1.81 0.00 0.00 61.98 59.48 1s78 s VAL 72 Cb -0.10 -2.45 0.02 0.00 0.56 0.00 0.00 36.38 34.42 1s78 s VAL 72 CO -0.03 0.45 2.64 -0.81 -0.31 0.00 0.00 175.10 177.04 1s78 n PRO 73 N 4.53 4.12 -1.07 4.82 -0.04 -1.26 -4.75 135.00 141.35 1s78 n PRO 73 Ca -0.18 -2.86 -0.22 0.00 -0.04 0.00 0.00 63.50 60.20 1s78 n PRO 73 Cb 0.51 -2.73 0.03 0.00 -0.04 0.00 0.00 33.50 31.27 1s78 n PRO 73 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1s78 n LEU 74 N 2.75 6.72 0.25 1.53 4.77 -1.26 -4.03 117.00 127.73 1s78 n LEU 74 Ca 0.69 -3.61 0.17 0.00 -0.03 0.00 0.00 56.01 53.23 1s78 n LEU 74 Cb 0.25 -1.07 0.75 0.00 -2.33 0.00 0.00 43.42 41.02 1s78 n LEU 74 CO 0.78 1.35 0.99 1.56 -1.33 0.00 0.00 177.39 180.74 1s78 h GLN 75 N 1.80 0.00 -0.02 3.23 7.50 -1.86 -2.49 115.11 123.28 1s78 h GLN 75 Ca 0.37 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.52 1s78 h GLN 75 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.38 1s78 h GLN 75 CO 0.94 0.00 -0.21 0.54 -1.50 0.00 0.00 178.83 178.61 1s78 n ARG 76 N -2.82 1.78 -1.81 1.46 1.74 -1.26 -3.36 116.66 112.38 1s78 n ARG 76 Ca -0.00 -1.44 -0.42 0.00 -0.77 0.00 0.00 57.85 55.22 1s78 n ARG 76 Cb 0.21 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 1s78 n ARG 76 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1s78 s LEU 77 N -2.22 4.39 -0.15 0.55 0.20 -0.65 -4.01 118.68 116.79 1s78 s LEU 77 Ca 0.24 2.55 -0.06 0.00 0.69 0.00 0.00 54.13 57.56 1s78 s LEU 77 Cb 0.19 -3.55 -0.07 0.00 -0.43 0.00 0.00 46.19 42.34 1s78 s LEU 77 CO 0.42 -0.98 -0.18 -1.14 -0.29 0.00 0.00 176.35 174.18 1s78 n ARG 78 N 6.65 0.33 -4.56 1.98 3.00 0.34 -0.89 116.66 123.51 1s78 n ARG 78 Ca 0.18 0.13 -0.22 0.00 -0.00 0.00 0.00 57.85 57.94 1s78 n ARG 78 Cb 0.41 -1.08 -0.15 0.00 0.00 0.00 0.00 32.46 31.63 1s78 n ARG 78 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1s78 s ILE 79 N -2.28 1.01 -0.15 5.15 2.07 -1.03 -1.70 121.20 124.28 1s78 s ILE 79 Ca -0.21 -0.51 0.01 0.00 -1.41 0.00 0.00 60.65 58.54 1s78 s ILE 79 Cb 0.08 -0.87 0.02 0.00 0.13 0.00 0.00 42.46 41.81 1s78 s ILE 79 CO 0.28 0.30 -0.18 0.54 -1.91 0.00 0.00 174.94 173.97 1s78 s VAL 80 N -0.02 1.81 -0.08 4.00 0.11 -0.72 -1.67 120.40 123.83 1s78 s VAL 80 Ca -0.00 -0.81 0.13 0.00 -2.93 0.00 0.00 61.98 58.37 1s78 s VAL 80 Cb -0.08 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 1s78 s VAL 80 CO 0.00 0.50 1.28 0.03 -3.33 0.00 0.00 175.10 173.58 1s78 h ARG 81 N 7.70 0.00 -2.66 1.54 3.08 -1.14 -2.27 114.38 120.64 1s78 h ARG 81 Ca -0.37 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.42 1s78 h ARG 81 Cb 1.16 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.23 1s78 h ARG 81 CO 0.56 0.59 -0.36 0.41 -1.07 0.00 0.00 179.97 180.09 1s78 n GLY 82 N 1.29 -0.08 0.24 0.04 0.00 -0.49 -3.18 105.19 103.01 1s78 n GLY 82 Ca -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 1s78 n GLY 82 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1s78 h THR 83 N -0.64 0.95 -4.17 2.61 2.02 -1.47 -3.40 112.91 108.80 1s78 h THR 83 Ca -0.32 -0.21 -0.69 0.00 0.77 0.00 0.00 66.41 65.96 1s78 h THR 83 Cb 1.23 0.28 -0.25 0.00 -1.74 0.00 0.00 68.15 67.67 1s78 h THR 83 CO 0.35 0.11 -0.88 -1.10 0.37 0.00 0.00 175.52 174.38 1s78 s GLN 84 N -6.10 1.66 -0.07 6.66 -0.21 -1.26 -5.04 119.66 115.29 1s78 s GLN 84 Ca -0.13 -1.19 0.05 0.00 0.02 0.00 0.00 55.36 54.11 1s78 s GLN 84 Cb 0.16 -1.94 -0.01 0.00 1.00 0.00 0.00 33.01 32.22 1s78 s GLN 84 CO 0.75 0.49 -0.23 -0.51 -2.12 0.00 0.00 175.29 173.67 1s78 s LEU 85 N -1.52 2.16 0.12 2.90 1.43 -1.26 -2.87 118.68 119.65 1s78 s LEU 85 Ca 0.12 -0.49 -0.34 0.00 -1.03 0.00 0.00 54.13 52.40 1s78 s LEU 85 Cb -0.10 -1.41 -0.14 0.00 0.03 0.00 0.00 46.19 44.58 1s78 s LEU 85 CO 0.03 0.23 1.61 0.33 0.23 0.00 0.00 176.35 178.78 1s78 n PHE 86 N 3.05 2.25 -2.37 0.29 7.35 0.27 -0.67 117.46 127.63 1s78 n PHE 86 Ca -0.18 0.25 -0.16 0.00 -0.76 0.00 0.00 57.45 56.60 1s78 n PHE 86 Cb 0.52 -2.55 -0.01 0.00 0.35 0.00 0.00 39.48 37.79 1s78 n PHE 86 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1s78 n GLU 87 N 3.81 -1.95 -1.19 -4.13 1.02 -1.26 -0.51 120.64 116.42 1s78 n GLU 87 Ca 0.18 0.79 -0.08 0.00 -0.02 0.00 0.00 57.16 58.03 1s78 n GLU 87 Cb 0.28 -5.41 -0.04 0.00 -0.02 0.00 0.00 31.44 26.26 1s78 n GLU 87 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1s78 n ASP 88 N -1.85 -5.33 0.00 1.62 8.00 0.16 -4.67 116.55 114.49 1s78 n ASP 88 Ca -0.19 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1s78 n ASP 88 Cb 0.64 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.94 1s78 n ASP 88 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1s78 n ASN 89 N -0.90 0.42 -4.33 -2.24 3.02 -0.64 -4.86 115.26 105.73 1s78 n ASN 89 Ca -0.08 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.13 1s78 n ASN 89 Cb 0.53 0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.60 1s78 n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1s78 s TYR 90 N -1.09 2.85 0.11 3.10 1.51 0.33 -0.82 117.35 123.34 1s78 s TYR 90 Ca 0.00 -0.81 -0.03 0.00 -1.01 0.00 0.00 57.07 55.23 1s78 s TYR 90 Cb 0.00 -1.92 -0.17 0.00 -0.11 0.00 0.00 41.96 39.76 1s78 s TYR 90 CO 0.00 -0.35 1.24 0.00 -1.11 0.00 0.00 175.55 175.33 1s78 h ALA 91 N 7.18 0.27 -3.37 3.71 0.00 -0.48 0.80 119.26 127.36 1s78 h ALA 91 Ca -0.32 -0.80 -0.54 0.00 0.00 0.00 0.00 54.91 53.26 1s78 h ALA 91 Cb 1.19 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 18.62 1s78 h ALA 91 CO 0.58 0.92 -0.82 -1.17 0.00 0.00 0.00 179.25 178.75 1s78 s LEU 92 N -7.38 1.67 -0.14 0.00 2.96 -1.04 -0.10 118.68 114.66 1s78 s LEU 92 Ca -0.04 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1s78 s LEU 92 Cb 0.08 -0.92 0.04 0.00 0.50 0.00 0.00 46.19 45.89 1s78 s LEU 92 CO 0.87 0.03 0.00 0.00 -1.32 0.00 0.00 176.35 175.93 1s78 s ALA 93 N 0.75 0.97 -0.32 5.97 0.00 0.93 -1.03 121.76 129.03 1s78 s ALA 93 Ca -0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 1s78 s ALA 93 Cb -0.16 -0.98 0.06 0.00 0.00 0.00 0.00 23.12 22.04 1s78 s ALA 93 CO 0.03 -0.78 0.04 0.08 0.00 0.00 0.00 175.76 175.12 1s78 s VAL 94 N 1.86 3.09 0.01 0.00 1.01 0.73 -0.79 120.40 126.32 1s78 s VAL 94 Ca 0.02 -1.48 0.03 0.00 0.00 0.00 0.00 61.98 60.55 1s78 s VAL 94 Cb -0.15 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1s78 s VAL 94 CO -0.07 -0.21 -0.10 -0.76 0.00 0.00 0.00 175.10 173.96 1s78 s LEU 95 N 1.24 2.08 -1.32 3.92 1.43 -0.36 -0.96 118.68 124.71 1s78 s LEU 95 Ca -0.03 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 1s78 s LEU 95 Cb -0.20 -0.48 0.01 0.00 0.03 0.00 0.00 46.19 45.54 1s78 s LEU 95 CO -0.01 0.06 0.12 0.47 0.23 0.00 0.00 176.35 177.21 1s78 n ASP 96 N 2.46 -0.01 -3.86 2.29 8.00 -0.51 -1.49 116.55 123.43 1s78 n ASP 96 Ca -0.16 -1.15 -0.42 0.00 0.71 0.00 0.00 54.79 53.77 1s78 n ASP 96 Cb 0.56 -1.41 0.01 0.00 -0.02 0.00 0.00 41.12 40.26 1s78 n ASP 96 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1s78 n ASN 97 N -2.40 6.72 -2.08 -2.24 3.02 -0.97 -2.52 115.26 114.79 1s78 n ASN 97 Ca -0.26 -3.48 -0.08 0.00 -0.03 0.00 0.00 54.58 50.74 1s78 n ASN 97 Cb 0.60 -1.25 -0.03 0.00 -0.61 0.00 0.00 39.78 38.49 1s78 n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s78 n GLY 98 N 0.98 3.75 3.73 7.41 0.00 -1.22 -2.95 105.19 116.89 1s78 n GLY 98 Ca 0.35 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 1s78 n GLY 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s78 s ASP 99 N -1.83 7.53 -0.71 1.61 1.01 -1.25 -4.57 116.67 118.45 1s78 s ASP 99 Ca 0.10 1.82 -0.05 0.00 0.71 0.00 0.00 52.55 55.13 1s78 s ASP 99 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1s78 s ASP 99 CO 0.07 -0.02 1.86 -0.81 0.21 0.00 0.00 175.17 176.47 1s78 n PRO 100 N 2.53 1.61 -1.92 8.23 -0.04 -1.26 -5.10 135.00 139.05 1s78 n PRO 100 Ca 0.01 -1.24 -0.08 0.00 -0.04 0.00 0.00 63.50 62.15 1s78 n PRO 100 Cb 0.49 -2.35 0.01 0.00 -0.04 0.00 0.00 33.50 31.60 1s78 n PRO 100 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1s78 n LEU 101 N 4.42 -1.44 0.00 1.53 -0.00 -1.26 -5.27 117.00 114.98 1s78 n LEU 101 Ca 0.35 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 1s78 n LEU 101 Cb 0.10 -0.73 0.00 0.00 -0.00 0.00 0.00 43.42 42.79 1s78 n LEU 101 CO 0.66 -0.38 0.00 -0.24 -0.00 0.00 0.00 177.39 177.43 1s78 n SER 111 N 1.01 0.00 -4.76 1.45 2.88 -1.26 -5.28 113.62 107.66 1s78 n SER 111 Ca -0.02 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.12 1s78 n SER 111 Cb 0.27 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.69 1s78 n SER 111 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1s78 s PRO 112 N 0.00 4.59 0.98 -1.46 0.04 -1.26 -5.04 135.00 132.85 1s78 s PRO 112 Ca 0.00 1.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.67 1s78 s PRO 112 Cb 0.00 -3.11 0.18 0.00 0.04 0.00 0.00 34.50 31.61 1s78 s PRO 112 CO 0.00 0.18 1.10 0.20 0.04 0.00 0.00 177.00 178.52 1s78 s GLY 113 N -0.98 1.57 0.00 0.56 0.00 -1.26 -5.01 107.32 102.20 1s78 s GLY 113 Ca 0.46 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1s78 s GLY 113 CO 0.39 0.22 0.00 0.61 0.00 0.00 0.00 173.10 174.32 1s78 n GLY 114 N -1.30 3.28 3.57 0.20 0.00 0.15 -3.89 105.19 107.20 1s78 n GLY 114 Ca 0.05 -1.56 -0.50 0.00 0.00 0.00 0.00 46.02 44.02 1s78 n GLY 114 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s78 n LEU 115 N 0.00 1.35 -0.07 0.99 7.94 -0.49 -4.16 117.00 122.56 1s78 n LEU 115 Ca 0.00 1.14 -0.13 0.00 -1.11 0.00 0.00 56.01 55.91 1s78 n LEU 115 Cb 0.00 -1.18 -0.05 0.00 0.53 0.00 0.00 43.42 42.71 1s78 n LEU 115 CO 0.00 -1.37 -0.95 0.54 -1.11 0.00 0.00 177.39 174.50 1s78 n ARG 116 N 1.80 0.30 -4.16 1.96 1.74 -0.24 -2.32 116.66 115.73 1s78 n ARG 116 Ca 0.16 0.11 -0.18 0.00 -0.77 0.00 0.00 57.85 57.17 1s78 n ARG 116 Cb 0.23 -1.07 -0.12 0.00 -1.02 0.00 0.00 32.46 30.48 1s78 n ARG 116 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1s78 s GLU 117 N -2.25 0.80 0.15 5.56 2.02 -1.26 -0.78 118.70 122.94 1s78 s GLU 117 Ca -0.19 -0.94 -0.00 0.00 0.02 0.00 0.00 54.97 53.86 1s78 s GLU 117 Cb 0.06 -0.79 -0.05 0.00 0.10 0.00 0.00 34.13 33.46 1s78 s GLU 117 CO 0.26 0.17 1.34 -0.07 0.02 0.00 0.00 175.26 176.98 1s78 h LEU 118 N 4.29 0.35 -0.81 1.80 3.38 -1.77 -3.44 115.31 119.11 1s78 h LEU 118 Ca -0.40 -0.29 -0.48 0.00 0.09 0.00 0.00 57.88 56.80 1s78 h LEU 118 Cb 1.19 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 1s78 h LEU 118 CO 0.40 1.10 -0.75 0.00 0.09 0.00 0.00 178.44 179.28 1s78 n GLN 119 N -3.68 -4.93 -2.41 1.13 6.02 -0.27 -4.83 117.38 108.42 1s78 n GLN 119 Ca -0.05 0.56 -0.40 0.00 -0.01 0.00 0.00 57.00 57.10 1s78 n GLN 119 Cb 0.83 -5.41 0.02 0.00 1.02 0.00 0.00 30.24 26.70 1s78 n GLN 119 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1s78 n LEU 120 N -4.54 7.46 0.00 1.08 4.77 -1.26 -3.90 117.00 120.61 1s78 n LEU 120 Ca 0.04 -5.20 0.10 0.00 -0.03 0.00 0.00 56.01 50.92 1s78 n LEU 120 Cb 0.52 -1.18 0.48 0.00 -2.33 0.00 0.00 43.42 40.90 1s78 n LEU 120 CO 0.75 2.00 0.81 -2.11 -1.33 0.00 0.00 177.39 177.51 1s78 n ARG 121 N 0.14 0.18 -0.00 3.23 1.85 -1.26 -2.15 116.66 118.66 1s78 n ARG 121 Ca 0.50 0.12 0.05 0.00 -1.00 0.00 0.00 57.85 57.53 1s78 n ARG 121 Cb 0.26 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.10 1s78 n ARG 121 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1s78 n SER 122 N -1.36 0.74 -4.56 2.89 7.64 -1.21 -4.79 113.62 112.97 1s78 n SER 122 Ca 0.08 -0.68 -0.26 0.00 1.01 0.00 0.00 58.87 59.01 1s78 n SER 122 Cb 0.19 1.06 -0.05 0.00 -1.01 0.00 0.00 64.21 64.40 1s78 n SER 122 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1s78 s LEU 123 N -2.69 3.13 -0.01 -3.43 2.96 -0.07 -4.15 118.68 114.43 1s78 s LEU 123 Ca 0.03 0.14 0.09 0.00 -0.22 0.00 0.00 54.13 54.18 1s78 s LEU 123 Cb 0.09 -2.54 -0.13 0.00 0.50 0.00 0.00 46.19 44.10 1s78 s LEU 123 CO 0.48 -3.12 0.26 0.41 -1.32 0.00 0.00 176.35 173.06 1s78 n THR 124 N 8.11 0.00 -3.89 3.68 -1.04 -0.69 -4.93 114.28 115.52 1s78 n THR 124 Ca 0.38 -0.24 -0.21 0.00 -2.04 0.00 0.00 64.05 61.94 1s78 n THR 124 Cb 0.48 0.49 -0.17 0.00 -1.82 0.00 0.00 70.33 69.32 1s78 n THR 124 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1s78 s GLU 125 N -2.43 0.61 -0.23 -2.82 2.56 -1.01 -4.46 118.70 110.92 1s78 s GLU 125 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 54.97 55.03 1s78 s GLU 125 Cb 0.06 -0.86 0.05 0.00 2.00 0.00 0.00 34.13 35.38 1s78 s GLU 125 CO 0.39 -0.22 -0.12 0.42 -0.56 0.00 0.00 175.26 175.17 1s78 s ILE 126 N 1.56 1.97 0.05 -3.70 1.01 -0.62 -1.76 121.20 119.72 1s78 s ILE 126 Ca -0.01 -1.35 -0.15 0.00 0.00 0.00 0.00 60.65 59.14 1s78 s ILE 126 Cb -0.13 -2.04 -0.31 0.00 0.01 0.00 0.00 42.46 39.99 1s78 s ILE 126 CO -0.03 0.10 1.07 -0.07 0.00 0.00 0.00 174.94 176.01 1s78 h LEU 127 N 7.86 0.85 -7.47 2.97 3.38 -1.60 -0.58 115.31 120.73 1s78 h LEU 127 Ca -0.25 -0.83 -0.19 0.00 0.09 0.00 0.00 57.88 56.70 1s78 h LEU 127 Cb 1.07 -0.27 -0.28 0.00 0.09 0.00 0.00 40.66 41.27 1s78 h LEU 127 CO 0.49 1.64 -0.49 -0.75 0.09 0.00 0.00 178.44 179.41 1s78 s LYS 128 N -2.84 0.21 0.00 1.13 2.20 -1.19 -3.87 119.74 115.39 1s78 s LYS 128 Ca -0.09 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 1s78 s LYS 128 Cb 0.05 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1s78 s LYS 128 CO 0.94 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 176.26 1s78 n GLY 129 N 3.45 0.02 0.00 5.54 0.00 -1.26 -4.24 105.19 108.70 1s78 n GLY 129 Ca -0.18 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1s78 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s78 n GLY 130 N 0.18 4.66 3.10 -0.02 0.00 -0.00 -4.35 105.19 108.76 1s78 n GLY 130 Ca 0.00 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 1s78 n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s78 s VAL 131 N 0.34 1.70 -0.19 1.61 1.01 0.28 0.19 120.40 125.34 1s78 s VAL 131 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1s78 s VAL 131 Cb 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1s78 s VAL 131 CO 0.00 0.48 -0.14 -0.22 0.00 0.00 0.00 175.10 175.22 1s78 s LEU 132 N 0.88 2.45 -0.17 3.92 2.96 -0.19 -1.16 118.68 127.36 1s78 s LEU 132 Ca -0.08 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.29 1s78 s LEU 132 Cb -0.15 -1.58 0.05 0.00 0.50 0.00 0.00 46.19 45.01 1s78 s LEU 132 CO -0.01 0.01 0.00 -0.63 -1.32 0.00 0.00 176.35 174.40 1s78 s ILE 133 N 1.26 0.74 -0.12 6.68 1.01 0.60 -0.19 121.20 131.17 1s78 s ILE 133 Ca 0.03 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1s78 s ILE 133 Cb -0.14 -1.10 0.03 0.00 0.01 0.00 0.00 42.46 41.27 1s78 s ILE 133 CO -0.07 -0.06 0.35 -1.10 0.00 0.00 0.00 174.94 174.06 1s78 s GLN 134 N 1.78 0.43 -0.94 2.79 -0.21 -0.13 -0.47 119.66 122.91 1s78 s GLN 134 Ca -0.00 0.44 -0.08 0.00 0.02 0.00 0.00 55.36 55.74 1s78 s GLN 134 Cb -0.16 0.21 -0.02 0.00 1.00 0.00 0.00 33.01 34.04 1s78 s GLN 134 CO -0.07 -0.06 0.76 0.54 -2.12 0.00 0.00 175.29 174.34 1s78 n ARG 135 N 2.77 -1.51 -3.75 2.91 1.74 -1.26 -1.92 116.66 115.64 1s78 n ARG 135 Ca -0.14 0.93 -0.30 0.00 -0.77 0.00 0.00 57.85 57.58 1s78 n ARG 135 Cb 0.57 -4.75 -0.14 0.00 -1.02 0.00 0.00 32.46 27.12 1s78 n ARG 135 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1s78 s ASN 136 N -3.22 3.93 0.42 0.55 0.01 -1.26 -1.43 114.94 113.93 1s78 s ASN 136 Ca 0.25 -2.15 0.28 0.00 -0.71 0.00 0.00 52.86 50.53 1s78 s ASN 136 Cb -0.07 -1.02 1.04 0.00 0.41 0.00 0.00 41.25 41.61 1s78 s ASN 136 CO 0.80 -0.34 1.83 -0.65 -1.51 0.00 0.00 177.10 177.23 1s78 h PRO 137 N 7.40 0.00 -0.26 -0.60 0.11 -1.79 -2.37 132.00 134.50 1s78 h PRO 137 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1s78 h PRO 137 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1s78 h PRO 137 CO 0.48 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.31 1s78 n GLN 138 N -2.77 2.16 -2.86 1.05 1.13 -1.26 0.20 117.38 115.04 1s78 n GLN 138 Ca 0.02 -1.81 -0.41 0.00 -1.94 0.00 0.00 57.00 52.86 1s78 n GLN 138 Cb 0.33 -1.27 -0.04 0.00 0.11 0.00 0.00 30.24 29.37 1s78 n GLN 138 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1s78 s LEU 139 N -1.00 4.41 0.23 1.08 2.96 -0.89 -4.14 118.68 121.32 1s78 s LEU 139 Ca 0.21 1.53 0.10 0.00 -0.22 0.00 0.00 54.13 55.75 1s78 s LEU 139 Cb 0.12 -3.38 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 1s78 s LEU 139 CO 0.16 -0.11 -0.19 0.00 -1.32 0.00 0.00 176.35 174.89 1s78 n TYR 141 N -0.25 0.00 0.15 0.00 4.02 -1.26 -4.40 117.16 115.42 1s78 n TYR 141 Ca -0.08 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.83 1s78 n TYR 141 Cb 0.59 -0.49 0.12 0.00 -0.02 0.00 0.00 39.34 39.54 1s78 n TYR 141 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1s78 h GLN 142 N 1.21 0.00 -0.35 -0.72 -0.00 -1.88 -2.91 115.11 110.47 1s78 h GLN 142 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1s78 h GLN 142 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.66 1s78 h GLN 142 CO 0.00 0.50 0.00 -0.40 -0.00 0.00 0.00 178.83 178.93 1s78 n ASP 143 N -3.34 1.24 -0.07 0.06 5.75 -1.26 -3.66 116.55 115.28 1s78 n ASP 143 Ca 0.01 -2.05 -0.06 0.00 -0.01 0.00 0.00 54.79 52.67 1s78 n ASP 143 Cb 0.67 -0.22 -0.11 0.00 -1.03 0.00 0.00 41.12 40.44 1s78 n ASP 143 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1s78 n THR 144 N 0.06 0.90 -2.24 2.12 5.66 -1.10 -5.00 114.28 114.68 1s78 n THR 144 Ca 0.06 -0.56 -0.41 0.00 -3.05 0.00 0.00 64.05 60.09 1s78 n THR 144 Cb 0.23 -0.64 -0.03 0.00 -1.55 0.00 0.00 70.33 68.34 1s78 n THR 144 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1s78 s ILE 145 N -2.33 3.09 -1.17 1.09 -1.09 -1.24 -4.28 121.20 115.28 1s78 s ILE 145 Ca -0.07 1.02 -0.19 0.00 -2.23 0.00 0.00 60.65 59.19 1s78 s ILE 145 Cb 0.04 -3.65 0.09 0.00 -1.58 0.00 0.00 42.46 37.36 1s78 s ILE 145 CO 0.55 0.21 1.54 -0.22 -1.23 0.00 0.00 174.94 175.78 1s78 s LEU 146 N -1.10 4.11 0.40 2.97 1.98 -1.26 -4.88 118.68 120.91 1s78 s LEU 146 Ca 0.51 -2.24 0.07 0.00 -2.89 0.00 0.00 54.13 49.58 1s78 s LEU 146 Cb -0.37 -2.52 0.83 0.00 0.66 0.00 0.00 46.19 44.79 1s78 s LEU 146 CO 0.45 -1.17 2.02 -0.50 -1.89 0.00 0.00 176.35 175.25 1s78 h TRP 147 N 8.23 0.45 -0.95 5.38 4.06 -1.96 -2.34 115.95 128.82 1s78 h TRP 147 Ca 0.33 -0.01 0.22 0.00 2.06 0.00 0.00 58.89 61.49 1s78 h TRP 147 Cb 0.92 -0.15 -0.12 0.00 -1.00 0.00 0.00 29.16 28.82 1s78 h TRP 147 CO 1.30 0.35 0.50 -0.22 -3.56 0.00 0.00 178.44 176.80 1s78 h LYS 148 N 0.47 0.50 -0.72 0.49 3.64 -1.93 -1.35 116.57 117.67 1s78 h LYS 148 Ca 0.12 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1s78 h LYS 148 Cb 0.07 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1s78 h LYS 148 CO -0.02 0.33 0.25 0.22 -2.27 0.00 0.00 179.45 177.97 1s78 h ASP 149 N 0.52 1.00 -0.03 4.20 1.82 -1.83 -3.24 116.42 118.86 1s78 h ASP 149 Ca 0.59 -0.17 -0.02 0.00 -0.39 0.00 0.00 57.03 57.04 1s78 h ASP 149 Cb 1.09 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.84 1s78 h ASP 149 CO -0.48 0.91 -0.07 0.40 -1.61 0.00 0.00 179.24 178.39 1s78 h ILE 150 N 1.05 1.43 -2.32 2.25 2.04 -1.36 -3.39 117.51 117.21 1s78 h ILE 150 Ca 0.24 -1.38 -0.59 0.00 1.00 0.00 0.00 64.86 64.12 1s78 h ILE 150 Cb 0.25 2.28 0.06 0.00 -0.74 0.00 0.00 36.82 38.67 1s78 h ILE 150 CO -0.01 0.37 0.73 0.49 0.00 0.00 0.00 178.15 179.73 1s78 n PHE 151 N -4.72 2.19 -1.52 1.37 0.99 -1.07 -1.58 117.46 113.11 1s78 n PHE 151 Ca -0.08 0.33 -0.34 0.00 -0.00 0.00 0.00 57.45 57.36 1s78 n PHE 151 Cb 0.33 -2.51 0.08 0.00 -1.00 0.00 0.00 39.48 36.38 1s78 n PHE 151 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1s78 s HIS 152 N 0.65 2.15 0.47 1.38 5.65 -0.23 -4.85 115.29 120.51 1s78 s HIS 152 Ca 0.77 1.59 0.27 0.00 0.25 0.00 0.00 55.06 57.93 1s78 s HIS 152 Cb -0.69 -3.43 1.31 0.00 -1.18 0.00 0.00 32.58 28.58 1s78 s HIS 152 CO 0.41 -2.46 1.80 -0.22 -0.65 0.00 0.00 174.74 173.62 1s78 h LYS 153 N -0.16 0.20 -0.46 2.88 3.64 -1.92 -0.94 116.57 119.82 1s78 h LYS 153 Ca -0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1s78 h LYS 153 Cb 1.29 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1s78 h LYS 153 CO 0.51 0.13 0.00 0.09 -2.27 0.00 0.00 179.45 177.91 1s78 n ASN 154 N -4.42 3.47 -4.57 4.20 3.02 -1.26 -4.91 115.26 110.78 1s78 n ASN 154 Ca 0.24 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.40 1s78 n ASN 154 Cb 1.01 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 1s78 n ASN 154 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1s78 s ASN 155 N -1.38 5.94 0.00 6.41 3.84 -0.36 -4.84 114.94 124.55 1s78 s ASN 155 Ca 0.41 0.46 0.29 0.00 0.21 0.00 0.00 52.86 54.23 1s78 s ASN 155 Cb 0.23 -2.54 1.28 0.00 -0.55 0.00 0.00 41.25 39.67 1s78 s ASN 155 CO 0.32 -1.83 1.90 0.00 -2.79 0.00 0.00 177.10 174.70 1s78 n GLN 156 N 8.71 0.55 -2.01 0.43 6.02 -1.26 -3.07 117.38 126.76 1s78 n GLN 156 Ca 0.16 -0.15 -0.22 0.00 -0.01 0.00 0.00 57.00 56.78 1s78 n GLN 156 Cb 0.49 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.28 1s78 n GLN 156 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1s78 n LEU 157 N -1.10 4.68 -4.56 1.08 4.77 -1.26 -4.99 117.00 115.62 1s78 n LEU 157 Ca 0.14 -4.63 -0.38 0.00 -0.03 0.00 0.00 56.01 51.10 1s78 n LEU 157 Cb 0.27 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1s78 n LEU 157 CO 0.24 2.03 1.52 0.00 -1.33 0.00 0.00 177.39 179.85 1s78 s ALA 158 N -3.59 2.57 0.20 -1.18 0.00 -1.17 -1.93 121.76 116.66 1s78 s ALA 158 Ca 0.49 -2.20 0.02 0.00 0.00 0.00 0.00 51.96 50.27 1s78 s ALA 158 Cb 0.40 -4.55 -0.05 0.00 0.00 0.00 0.00 23.12 18.92 1s78 s ALA 158 CO 0.03 -3.85 0.02 -0.48 0.00 0.00 0.00 175.76 171.48 1s78 s LEU 159 N 5.99 2.05 -0.02 0.00 -0.00 -1.26 -4.97 118.68 120.46 1s78 s LEU 159 Ca 0.52 -1.22 0.06 0.00 -0.00 0.00 0.00 54.13 53.48 1s78 s LEU 159 Cb -0.01 -0.10 -0.01 0.00 -0.00 0.00 0.00 46.19 46.07 1s78 s LEU 159 CO -0.05 -0.58 -0.20 -0.89 -0.00 0.00 0.00 176.35 174.63 1s78 s THR 160 N -3.61 1.56 -0.24 5.48 2.01 -1.26 -0.55 115.64 119.03 1s78 s THR 160 Ca 0.28 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 1s78 s THR 160 Cb 0.06 -1.30 0.08 0.00 0.01 0.00 0.00 72.50 71.35 1s78 s THR 160 CO 0.07 0.44 0.10 -0.22 -0.69 0.00 0.00 174.62 174.32 1s78 s LEU 161 N -0.36 0.86 -0.03 4.42 2.96 -0.31 -4.98 118.68 121.24 1s78 s LEU 161 Ca 0.05 -1.06 0.04 0.00 -0.22 0.00 0.00 54.13 52.94 1s78 s LEU 161 Cb -0.09 -0.44 -0.01 0.00 0.50 0.00 0.00 46.19 46.16 1s78 s LEU 161 CO -0.00 -0.39 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.86 1s78 s ILE 162 N 1.99 1.24 -0.10 6.68 1.01 -1.26 -0.29 121.20 130.48 1s78 s ILE 162 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1s78 s ILE 162 Cb -0.16 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 1s78 s ILE 162 CO -0.22 0.36 -0.10 -0.62 0.00 0.00 0.00 174.94 174.36 1s78 s ASP 163 N -0.08 4.33 -0.19 3.58 3.68 0.39 -4.99 116.67 123.39 1s78 s ASP 163 Ca -0.00 -0.17 0.13 0.00 2.13 0.00 0.00 52.55 54.64 1s78 s ASP 163 Cb -0.09 -1.33 0.43 0.00 -1.45 0.00 0.00 42.92 40.47 1s78 s ASP 163 CO 0.01 0.27 1.21 0.35 0.13 0.00 0.00 175.17 177.13 1s78 n THR 164 N 2.86 1.91 -2.17 1.71 -2.24 -1.26 -4.78 114.28 110.32 1s78 n THR 164 Ca -0.18 -3.00 -0.42 0.00 -2.27 0.00 0.00 64.05 58.18 1s78 n THR 164 Cb 0.53 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 1s78 n THR 164 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1s78 s ASN 165 N -3.10 6.83 0.01 3.42 2.47 -1.26 -5.01 114.94 118.29 1s78 s ASN 165 Ca 0.38 2.40 -0.04 0.00 0.42 0.00 0.00 52.86 56.02 1s78 s ASN 165 Cb 0.38 -2.60 -0.01 0.00 -1.45 0.00 0.00 41.25 37.57 1s78 s ASN 165 CO -0.08 -0.61 0.07 -0.13 -3.72 0.00 0.00 177.10 172.63 1s78 s ARG 166 N 0.48 0.41 0.00 0.43 0.52 -1.26 -4.50 118.95 115.03 1s78 s ARG 166 Ca 0.61 -0.48 0.08 0.00 -0.52 0.00 0.00 55.73 55.42 1s78 s ARG 166 Cb -0.37 0.16 0.20 0.00 0.52 0.00 0.00 34.95 35.45 1s78 s ARG 166 CO 0.35 -0.09 1.10 0.43 0.02 0.00 0.00 175.30 177.11 1s78 n SER 167 N 1.53 2.48 -4.02 0.23 7.64 0.13 -5.01 113.62 116.61 1s78 n SER 167 Ca -0.23 -1.85 -0.09 0.00 1.01 0.00 0.00 58.87 57.71 1s78 n SER 167 Cb 0.55 -0.14 -0.11 0.00 -1.01 0.00 0.00 64.21 63.51 1s78 n SER 167 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s78 s ARG 168 N -0.93 0.41 0.04 1.43 1.70 -1.26 -5.03 118.95 115.30 1s78 s ARG 168 Ca 0.16 -0.77 -0.29 0.00 -0.47 0.00 0.00 55.73 54.36 1s78 s ARG 168 Cb 0.09 0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 1s78 s ARG 168 CO 0.12 -0.05 0.92 0.00 -1.08 0.00 0.00 175.30 175.21 1s78 s ALA 169 N -2.05 3.23 0.45 7.88 0.00 -1.26 -5.04 121.76 124.97 1s78 s ALA 169 Ca -0.10 0.49 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 1s78 s ALA 169 Cb -0.06 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1s78 s ALA 169 CO -0.03 -0.12 0.95 0.00 0.00 0.00 0.00 175.76 176.57 1s78 s HIS 171 N -2.33 3.51 0.97 0.00 3.76 -1.26 -5.09 115.29 114.85 1s78 s HIS 171 Ca 0.60 0.41 -0.12 0.00 -0.15 0.00 0.00 55.06 55.81 1s78 s HIS 171 Cb -0.09 -1.95 0.17 0.00 1.11 0.00 0.00 32.58 31.82 1s78 s HIS 171 CO 0.20 0.09 1.08 -2.14 -0.85 0.00 0.00 174.74 173.12 1s78 s PRO 172 N -4.32 0.63 0.97 8.40 0.02 -1.26 -4.99 135.00 134.46 1s78 s PRO 172 Ca 0.41 0.78 -0.12 0.00 0.02 0.00 0.00 61.00 62.09 1s78 s PRO 172 Cb -0.10 -1.74 0.17 0.00 0.02 0.00 0.00 34.50 32.86 1s78 s PRO 172 CO 0.37 -2.66 1.09 0.00 -0.33 0.00 0.00 177.00 175.46 1s78 n SER 174 N -4.23 2.20 -0.03 0.00 2.88 -1.22 -4.82 113.62 108.40 1s78 n SER 174 Ca 0.07 1.16 0.24 0.00 -1.33 0.00 0.00 58.87 59.01 1s78 n SER 174 Cb 0.54 -1.36 0.71 0.00 -0.75 0.00 0.00 64.21 63.35 1s78 n SER 174 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1s78 h PRO 175 N 3.44 0.00 0.00 -1.46 0.11 -1.92 0.25 132.00 132.41 1s78 h PRO 175 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1s78 h PRO 175 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1s78 h PRO 175 CO 0.70 0.00 0.00 0.52 -0.21 0.00 0.00 178.00 179.01 1s78 h MET 176 N 0.00 0.00 -6.36 1.05 2.86 -1.95 -3.43 114.93 107.10 1s78 h MET 176 Ca 0.30 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.39 1s78 h MET 176 Cb 1.48 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.12 1s78 h MET 176 CO -0.00 0.00 0.60 0.00 1.06 0.00 0.00 176.91 178.57 1s78 h LYS 178 N 7.16 -0.74 0.00 0.00 1.63 -1.86 -3.45 116.57 119.32 1s78 h LYS 178 Ca -0.36 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1s78 h LYS 178 Cb 1.18 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 1s78 h LYS 178 CO 0.84 -0.49 0.00 0.41 -3.45 0.00 0.00 179.45 176.76 1s78 n GLY 179 N -1.47 3.41 0.00 5.01 0.00 -1.26 -4.95 105.19 105.93 1s78 n GLY 179 Ca -0.10 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1s78 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s78 n SER 180 N -0.27 0.00 -4.69 1.61 3.41 -1.26 -4.84 113.62 107.58 1s78 n SER 180 Ca 0.00 0.43 -0.42 0.00 -0.26 0.00 0.00 58.87 58.61 1s78 n SER 180 Cb 0.00 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 1s78 n SER 180 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1s78 s ARG 181 N -2.85 4.41 -0.16 4.33 3.00 -1.26 -4.77 118.95 121.64 1s78 s ARG 181 Ca 0.00 1.34 -0.30 0.00 0.00 0.00 0.00 55.73 56.77 1s78 s ARG 181 Cb 0.00 -3.54 0.13 0.00 0.00 0.00 0.00 34.95 31.54 1s78 s ARG 181 CO 0.00 -0.31 1.03 0.00 0.00 0.00 0.00 175.30 176.02 1s78 n TRP 183 N 0.66 1.08 0.00 0.00 7.02 0.21 -4.64 117.44 121.77 1s78 n TRP 183 Ca -0.09 -0.49 0.00 0.00 -1.02 0.00 0.00 57.50 55.90 1s78 n TRP 183 Cb 0.58 -0.09 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 1s78 n TRP 183 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1s78 n GLY 184 N 1.38 0.55 0.26 6.99 0.00 -1.26 -1.11 105.19 112.00 1s78 n GLY 184 Ca 0.23 -1.13 0.09 0.00 0.00 0.00 0.00 46.02 45.21 1s78 n GLY 184 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s78 h GLU 185 N 0.00 0.00 -7.35 1.61 4.81 -1.94 -3.42 114.58 108.29 1s78 h GLU 185 Ca 0.00 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.74 1s78 h GLU 185 Cb 0.00 0.00 0.13 0.00 0.63 0.00 0.00 28.75 29.51 1s78 h GLU 185 CO 0.00 0.04 0.29 0.45 -0.73 0.00 0.00 179.01 179.05 1s78 s SER 186 N -6.91 3.98 0.11 1.04 0.15 -1.26 -3.41 113.70 107.40 1s78 s SER 186 Ca -0.05 1.51 -0.13 0.00 0.70 0.00 0.00 55.95 57.98 1s78 s SER 186 Cb 0.16 -2.21 -0.12 0.00 -1.71 0.00 0.00 66.02 62.14 1s78 s SER 186 CO 0.66 -2.32 1.35 0.77 1.20 0.00 0.00 173.24 174.90 1s78 h SER 187 N -1.33 0.92 0.00 5.45 4.64 -1.95 -3.05 113.55 118.23 1s78 h SER 187 Ca -0.48 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.27 1s78 h SER 187 Cb 1.27 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1s78 h SER 187 CO 0.55 1.33 0.00 -1.84 -0.87 0.00 0.00 176.83 176.00 1s78 n GLU 188 N -4.03 0.60 0.00 4.77 0.28 -1.26 -3.18 120.64 117.82 1s78 n GLU 188 Ca -0.06 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.01 1s78 n GLU 188 Cb 0.66 -1.11 0.01 0.00 1.43 0.00 0.00 31.44 32.43 1s78 n GLU 188 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1s78 n ASP 189 N -0.25 1.58 -4.67 -1.84 10.43 -1.15 -4.95 116.55 115.69 1s78 n ASP 189 Ca 0.00 -1.29 -0.45 0.00 2.57 0.00 0.00 54.79 55.63 1s78 n ASP 189 Cb 0.05 0.36 -0.02 0.00 1.84 0.00 0.00 41.12 43.35 1s78 n ASP 189 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1s78 s GLN 191 N -0.68 4.32 -0.19 0.00 0.74 -1.20 -4.79 119.66 117.87 1s78 s GLN 191 Ca 0.66 2.08 -0.11 0.00 0.05 0.00 0.00 55.36 58.04 1s78 s GLN 191 Cb -0.65 -3.24 -0.05 0.00 1.10 0.00 0.00 33.01 30.17 1s78 s GLN 191 CO 0.52 -0.43 0.19 -1.54 -0.55 0.00 0.00 175.29 173.48 1s78 s SER 192 N 1.04 6.27 0.10 6.67 1.04 -1.26 -4.92 113.70 122.64 1s78 s SER 192 Ca 0.64 0.30 -0.06 0.00 0.48 0.00 0.00 55.95 57.32 1s78 s SER 192 Cb -0.37 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.57 1s78 s SER 192 CO 0.31 0.14 0.35 -0.76 0.98 0.00 0.00 173.24 174.25 1s78 s LEU 193 N 0.49 4.31 0.00 2.42 1.43 -1.26 -4.97 118.68 121.10 1s78 s LEU 193 Ca 0.11 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1s78 s LEU 193 Cb -0.12 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1s78 s LEU 193 CO 0.01 0.12 0.00 0.41 0.23 0.00 0.00 176.35 177.11 1s78 n THR 194 N 0.43 0.00 0.03 5.49 -1.04 -1.26 -4.82 114.28 113.10 1s78 n THR 194 Ca -0.05 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.95 1s78 n THR 194 Cb 0.52 0.50 -0.00 0.00 -1.82 0.00 0.00 70.33 69.53 1s78 n THR 194 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1s78 n ARG 195 N 0.00 0.02 0.00 -2.82 0.63 -1.26 -1.29 116.66 111.93 1s78 n ARG 195 Ca 0.00 0.01 0.06 0.00 -0.92 0.00 0.00 57.85 56.99 1s78 n ARG 195 Cb 0.00 -0.53 0.31 0.00 0.45 0.00 0.00 32.46 32.69 1s78 n ARG 195 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1s78 n THR 196 N -3.34 0.41 -1.06 5.15 -2.24 -1.26 -2.51 114.28 109.43 1s78 n THR 196 Ca -0.01 0.10 0.06 0.00 -2.27 0.00 0.00 64.05 61.94 1s78 n THR 196 Cb 0.21 -0.92 0.09 0.00 -2.10 0.00 0.00 70.33 67.61 1s78 n THR 196 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1s78 n VAL 197 N -1.16 1.35 -3.46 2.28 3.14 -1.26 -5.06 118.33 114.16 1s78 n VAL 197 Ca 0.07 -1.59 -0.33 0.00 -2.96 0.00 0.00 64.34 59.52 1s78 n VAL 197 Cb 0.07 0.05 -0.05 0.00 -1.06 0.00 0.00 33.84 32.85 1s78 n VAL 197 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1s78 s ALA 199 N -1.61 3.33 0.00 0.00 0.00 -1.22 -4.87 121.76 117.39 1s78 s ALA 199 Ca 0.41 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1s78 s ALA 199 Cb -0.13 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1s78 s ALA 199 CO 0.20 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1s78 n GLY 200 N 1.71 0.35 0.00 0.00 0.00 -1.26 -3.61 105.19 102.38 1s78 n GLY 200 Ca -0.00 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.26 1s78 n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s78 n GLY 201 N 0.00 -1.11 3.46 -0.02 0.00 -1.26 -4.95 105.19 101.31 1s78 n GLY 201 Ca 0.00 -0.10 -0.60 0.00 0.00 0.00 0.00 46.02 45.33 1s78 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s78 h ALA 203 N 3.45 0.60 -2.61 0.00 0.00 -1.92 -3.46 119.26 115.31 1s78 h ALA 203 Ca -0.48 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 53.88 1s78 h ALA 203 Cb 1.37 -0.13 -0.20 0.00 0.00 0.00 0.00 17.79 18.83 1s78 h ALA 203 CO 0.72 0.66 -0.37 1.03 0.00 0.00 0.00 179.25 181.29 1s78 s ARG 204 N -4.48 0.61 0.35 0.00 1.81 -1.26 -4.64 118.95 111.35 1s78 s ARG 204 Ca -0.11 -0.37 -0.02 0.00 -1.72 0.00 0.00 55.73 53.51 1s78 s ARG 204 Cb 0.11 0.26 0.01 0.00 -0.45 0.00 0.00 34.95 34.88 1s78 s ARG 204 CO 0.88 -0.17 0.49 0.00 -0.68 0.00 0.00 175.30 175.82 1s78 n LYS 206 N -0.58 2.53 -3.63 0.00 2.85 -0.19 -4.43 118.16 114.72 1s78 n LYS 206 Ca 0.01 -1.66 0.00 0.00 -1.05 0.00 0.00 58.31 55.60 1s78 n LYS 206 Cb 0.59 -1.07 0.00 0.00 -0.65 0.00 0.00 35.03 33.89 1s78 n LYS 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1s78 n GLY 207 N -0.66 -2.14 0.13 2.58 0.00 -1.26 -5.04 105.19 98.81 1s78 n GLY 207 Ca 0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 1s78 n GLY 207 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s78 h PRO 208 N 0.00 0.02 -7.16 1.61 0.13 -1.93 -3.42 132.00 121.24 1s78 h PRO 208 Ca 0.00 -0.01 -0.49 0.00 -0.87 0.00 0.00 66.00 64.63 1s78 h PRO 208 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 1s78 h PRO 208 CO 0.00 0.67 0.38 -0.51 -0.23 0.00 0.00 178.00 178.31 1s78 s LEU 209 N -7.55 3.59 0.32 1.56 1.43 -1.26 -3.37 118.68 113.40 1s78 s LEU 209 Ca -0.01 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.01 1s78 s LEU 209 Cb 0.12 -4.54 0.62 0.00 0.03 0.00 0.00 46.19 42.42 1s78 s LEU 209 CO 0.77 -1.13 1.91 -0.65 0.23 0.00 0.00 176.35 177.48 1s78 h PRO 210 N 0.71 0.89 0.00 1.29 0.11 -1.90 -0.95 132.00 132.15 1s78 h PRO 210 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1s78 h PRO 210 Cb 1.23 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1s78 h PRO 210 CO 0.57 0.59 0.00 1.79 -0.21 0.00 0.00 178.00 180.74 1s78 h THR 211 N 0.91 0.00 0.00 -1.15 1.35 -1.97 -2.60 112.91 109.45 1s78 h THR 211 Ca 0.39 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1s78 h THR 211 Cb 0.33 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1s78 h THR 211 CO -0.16 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.58 1s78 n ASP 212 N -3.00 0.00 -4.77 5.36 10.43 -0.36 -4.69 116.55 119.52 1s78 n ASP 212 Ca -0.00 -1.14 -0.38 0.00 2.57 0.00 0.00 54.79 55.84 1s78 n ASP 212 Cb 0.24 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.18 1s78 n ASP 212 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1s78 s HIS 215 N -2.85 2.31 0.61 0.00 2.46 -1.25 -4.88 115.29 111.69 1s78 s HIS 215 Ca 0.50 1.45 0.37 0.00 0.47 0.00 0.00 55.06 57.85 1s78 s HIS 215 Cb -0.10 -3.66 2.10 0.00 -0.13 0.00 0.00 32.58 30.78 1s78 s HIS 215 CO 0.46 -2.62 2.30 1.49 -2.47 0.00 0.00 174.74 173.90 1s78 h GLU 216 N 1.13 0.00 -0.00 2.88 4.81 -1.94 -1.87 114.58 119.60 1s78 h GLU 216 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1s78 h GLU 216 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1s78 h GLU 216 CO 0.56 0.00 -0.42 1.04 -0.73 0.00 0.00 179.01 179.47 1s78 n GLN 217 N -3.47 0.40 -1.50 1.92 1.13 -1.26 -4.94 117.38 109.66 1s78 n GLN 217 Ca -0.03 -0.24 -0.29 0.00 -1.94 0.00 0.00 57.00 54.50 1s78 n GLN 217 Cb 0.09 -1.49 0.14 0.00 0.11 0.00 0.00 30.24 29.08 1s78 n GLN 217 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s78 n ALA 219 N -3.79 1.55 0.52 0.00 0.00 0.85 -4.13 120.51 115.50 1s78 n ALA 219 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.56 1s78 n ALA 219 Cb 0.59 0.09 -0.04 0.00 0.00 0.00 0.00 19.45 20.09 1s78 n ALA 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s78 n ALA 220 N -1.23 3.28 0.00 0.00 0.00 -1.26 -4.74 120.51 116.56 1s78 n ALA 220 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1s78 n ALA 220 Cb 0.13 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1s78 n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s78 n GLY 221 N 1.16 0.73 3.59 0.00 0.00 -1.26 -4.70 105.19 104.71 1s78 n GLY 221 Ca 0.03 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.83 1s78 n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s78 n THR 223 N -0.45 0.00 -0.68 0.00 -2.24 -0.72 -4.72 114.28 105.47 1s78 n THR 223 Ca -0.02 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1s78 n THR 223 Cb 0.62 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 1s78 n THR 223 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s78 n GLY 224 N 1.14 -1.12 0.02 3.38 0.00 -1.26 -5.07 105.19 102.29 1s78 n GLY 224 Ca 0.05 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 45.24 1s78 n GLY 224 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s78 n PRO 225 N -0.00 0.06 -1.44 1.61 -0.04 -1.26 -4.59 135.00 129.34 1s78 n PRO 225 Ca 0.00 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 1s78 n PRO 225 Cb 0.00 -1.55 0.18 0.00 -0.04 0.00 0.00 33.50 32.09 1s78 n PRO 225 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1s78 s LYS 226 N -3.03 0.28 0.00 0.54 1.02 -1.26 -3.84 119.74 113.45 1s78 s LYS 226 Ca 0.12 0.08 0.26 0.00 0.02 0.00 0.00 55.97 56.45 1s78 s LYS 226 Cb 0.17 -1.76 1.09 0.00 -0.52 0.00 0.00 37.83 36.82 1s78 s LYS 226 CO 0.62 -2.74 1.76 -2.39 -0.92 0.00 0.00 175.35 171.68 1s78 n HIS 227 N -4.10 0.05 0.14 3.18 1.44 -1.26 -3.43 115.22 111.24 1s78 n HIS 227 Ca 0.10 -0.02 0.11 0.00 -2.01 0.00 0.00 57.72 55.89 1s78 n HIS 227 Cb 0.59 0.00 0.22 0.00 0.12 0.00 0.00 29.99 30.92 1s78 n HIS 227 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1s78 n SER 228 N 0.01 3.42 -0.73 4.39 3.41 -1.26 -2.35 113.62 120.51 1s78 n SER 228 Ca 0.19 -1.96 0.06 0.00 -0.26 0.00 0.00 58.87 56.90 1s78 n SER 228 Cb 0.30 -0.28 0.18 0.00 -0.26 0.00 0.00 64.21 64.15 1s78 n SER 228 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1s78 n ASP 229 N 1.38 3.07 -4.77 4.04 8.00 -1.22 -4.99 116.55 122.05 1s78 n ASP 229 Ca 0.19 -2.01 -0.39 0.00 0.71 0.00 0.00 54.79 53.28 1s78 n ASP 229 Cb 0.57 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 1s78 n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s78 h LEU 231 N 2.64 0.00 -7.00 0.00 3.38 -1.59 -3.47 115.31 109.27 1s78 h LEU 231 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1s78 h LEU 231 Cb 1.25 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.79 1s78 h LEU 231 CO 0.62 0.07 0.35 0.00 0.09 0.00 0.00 178.44 179.57 1s78 s ALA 232 N -3.29 -1.84 -0.04 1.53 0.00 -1.26 -4.81 121.76 112.04 1s78 s ALA 232 Ca 0.05 1.47 -0.18 0.00 0.00 0.00 0.00 51.96 53.30 1s78 s ALA 232 Cb 0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 1s78 s ALA 232 CO 0.65 -0.34 0.51 0.00 0.00 0.00 0.00 175.76 176.58 1s78 h LEU 234 N 5.75 0.74 0.00 0.00 6.46 -1.43 -3.44 115.31 123.39 1s78 h LEU 234 Ca -0.45 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 56.94 1s78 h LEU 234 Cb 1.20 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 1s78 h LEU 234 CO 0.70 0.93 0.00 1.41 -0.62 0.00 0.00 178.44 180.86 1s78 n HIS 235 N -4.36 0.00 -4.25 1.25 8.25 -1.26 -5.04 115.22 109.80 1s78 n HIS 235 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 1s78 n HIS 235 Cb 0.35 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.34 1s78 n HIS 235 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1s78 s PHE 236 N -0.20 1.63 -0.67 4.41 0.40 -0.35 -4.59 117.98 118.61 1s78 s PHE 236 Ca 0.00 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.78 1s78 s PHE 236 Cb 0.00 -0.90 0.17 0.00 0.51 0.00 0.00 43.02 42.81 1s78 s PHE 236 CO 0.00 0.16 0.58 1.21 0.70 0.00 0.00 175.22 177.88 1s78 s ASN 237 N -1.86 6.22 -1.11 1.36 2.47 -0.73 -1.24 114.94 120.05 1s78 s ASN 237 Ca 0.04 -2.37 -0.18 0.00 0.42 0.00 0.00 52.86 50.76 1s78 s ASN 237 Cb -0.10 -2.12 0.11 0.00 -1.45 0.00 0.00 41.25 37.69 1s78 s ASN 237 CO 0.04 -0.63 1.42 -2.28 -3.72 0.00 0.00 177.10 171.93 1s78 s HIS 238 N 0.67 3.02 -1.50 0.43 5.65 0.90 -2.65 115.29 121.80 1s78 s HIS 238 Ca 0.12 -1.53 -0.05 0.00 0.25 0.00 0.00 55.06 53.85 1s78 s HIS 238 Cb -0.19 -4.49 0.05 0.00 -1.18 0.00 0.00 32.58 26.76 1s78 s HIS 238 CO -0.04 -1.64 0.48 0.43 -0.65 0.00 0.00 174.74 173.33 1s78 n SER 239 N 7.24 -1.06 0.00 9.88 7.64 -1.26 -1.80 113.62 134.25 1s78 n SER 239 Ca 0.35 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1s78 n SER 239 Cb 0.47 -2.84 0.00 0.00 -1.01 0.00 0.00 64.21 60.83 1s78 n SER 239 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s78 n GLY 240 N -1.88 2.70 3.60 0.23 0.00 -1.26 -5.06 105.19 103.52 1s78 n GLY 240 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1s78 n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s78 s ILE 241 N -2.50 4.38 -0.14 -0.61 1.09 -0.75 -4.58 121.20 118.09 1s78 s ILE 241 Ca 0.00 -0.19 -0.22 0.00 -1.10 0.00 0.00 60.65 59.14 1s78 s ILE 241 Cb 0.00 -2.93 -0.03 0.00 -1.06 0.00 0.00 42.46 38.45 1s78 s ILE 241 CO 0.00 0.51 0.67 0.00 -0.10 0.00 0.00 174.94 176.02 1s78 s GLU 243 N 1.48 1.55 0.00 0.00 2.02 -0.38 -4.87 118.70 118.50 1s78 s GLU 243 Ca 0.33 -1.87 0.05 0.00 0.02 0.00 0.00 54.97 53.49 1s78 s GLU 243 Cb -0.16 0.02 -0.24 0.00 0.10 0.00 0.00 34.13 33.84 1s78 s GLU 243 CO 0.13 -0.47 0.85 1.25 0.02 0.00 0.00 175.26 177.04 1s78 h LEU 244 N 2.28 0.16 -8.71 1.80 5.85 -1.95 -0.93 115.31 113.81 1s78 h LEU 244 Ca -0.33 -0.25 -0.33 0.00 0.84 0.00 0.00 57.88 57.81 1s78 h LEU 244 Cb 1.25 -0.05 -0.14 0.00 0.37 0.00 0.00 40.66 42.08 1s78 h LEU 244 CO 0.50 1.21 -0.56 -1.00 -0.34 0.00 0.00 178.44 178.25 1s78 s HIS 245 N -2.63 1.40 -0.06 1.25 3.76 -1.26 -4.62 115.29 113.13 1s78 s HIS 245 Ca -0.06 -1.49 -0.05 0.00 -0.15 0.00 0.00 55.06 53.31 1s78 s HIS 245 Cb 0.08 -0.61 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 1s78 s HIS 245 CO 0.83 -0.74 0.17 0.00 -0.85 0.00 0.00 174.74 174.15 1s78 n PRO 247 N 1.44 0.93 -1.53 0.00 -0.04 -1.26 -4.88 135.00 129.66 1s78 n PRO 247 Ca -0.15 0.34 -0.37 0.00 -0.04 0.00 0.00 63.50 63.27 1s78 n PRO 247 Cb 0.54 -1.95 0.05 0.00 -0.04 0.00 0.00 33.50 32.10 1s78 n PRO 247 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s78 n ALA 248 N 2.55 -0.35 1.16 0.55 0.00 -1.26 -2.06 120.51 121.10 1s78 n ALA 248 Ca 0.19 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1s78 n ALA 248 Cb 0.16 -2.02 0.64 0.00 0.00 0.00 0.00 19.45 18.24 1s78 n ALA 248 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s78 n LEU 249 N -0.53 0.00 -3.69 0.00 4.77 -1.26 -3.75 117.00 112.54 1s78 n LEU 249 Ca 0.13 0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 56.34 1s78 n LEU 249 Cb 0.48 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1s78 n LEU 249 CO 0.49 -0.04 0.19 0.54 -1.33 0.00 0.00 177.39 177.24 1s78 s VAL 250 N -2.71 -0.00 -0.13 4.08 0.11 -1.26 -1.83 120.40 118.65 1s78 s VAL 250 Ca 0.21 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.18 1s78 s VAL 250 Cb 0.18 -0.72 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 1s78 s VAL 250 CO 0.44 0.01 0.19 -0.89 -3.33 0.00 0.00 175.10 171.51 1s78 s THR 251 N 0.52 5.41 0.27 5.04 2.01 0.37 -4.81 115.64 124.45 1s78 s THR 251 Ca -0.02 0.32 0.07 0.00 0.31 0.00 0.00 61.69 62.37 1s78 s THR 251 Cb -0.04 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1s78 s THR 251 CO -0.03 0.54 0.18 -0.31 -0.69 0.00 0.00 174.62 174.32 1s78 s TYR 252 N -0.51 3.01 -0.03 4.92 1.51 -1.26 -2.00 117.35 123.00 1s78 s TYR 252 Ca 0.14 -0.16 -0.04 0.00 -1.01 0.00 0.00 57.07 56.00 1s78 s TYR 252 Cb -0.12 -1.44 -0.28 0.00 -0.11 0.00 0.00 41.96 40.01 1s78 s TYR 252 CO 0.04 0.48 0.74 -0.97 -1.11 0.00 0.00 175.55 174.73 1s78 h ASN 253 N 1.51 0.41 0.00 2.29 -0.73 -1.70 -3.48 115.58 113.87 1s78 h ASN 253 Ca -0.47 -0.63 0.00 0.00 1.87 0.00 0.00 56.30 57.07 1s78 h ASN 253 Cb 1.24 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.70 1s78 h ASN 253 CO 0.60 1.53 0.00 0.41 -0.37 0.00 0.00 177.43 179.61 1s78 n THR 254 N -3.45 0.00 -0.04 -3.57 -1.04 -1.26 -4.65 114.28 100.26 1s78 n THR 254 Ca -0.20 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.72 1s78 n THR 254 Cb 1.05 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.53 1s78 n THR 254 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1s78 n ASP 255 N 0.00 1.11 0.06 8.00 9.92 -1.26 -4.72 116.55 129.67 1s78 n ASP 255 Ca 0.00 0.08 -0.01 0.00 -0.53 0.00 0.00 54.79 54.33 1s78 n ASP 255 Cb 0.00 -0.24 -0.06 0.00 -0.64 0.00 0.00 41.12 40.18 1s78 n ASP 255 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1s78 h THR 256 N -0.26 0.81 -6.37 -3.53 2.02 -2.00 -3.48 112.91 100.10 1s78 h THR 256 Ca -0.22 -2.34 -0.48 0.00 0.77 0.00 0.00 66.41 64.14 1s78 h THR 256 Cb 1.21 2.30 -0.05 0.00 -1.74 0.00 0.00 68.15 69.88 1s78 h THR 256 CO -0.12 0.46 -0.81 0.49 0.37 0.00 0.00 175.52 175.92 1s78 n PHE 257 N -3.07 -2.03 -3.82 3.16 3.01 -1.26 -4.98 117.46 108.47 1s78 n PHE 257 Ca -0.06 0.85 -0.30 0.00 1.01 0.00 0.00 57.45 58.95 1s78 n PHE 257 Cb 0.85 -3.85 -0.04 0.00 -0.01 0.00 0.00 39.48 36.43 1s78 n PHE 257 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1s78 s GLU 258 N -6.54 3.50 -0.12 -1.08 -6.30 -1.26 -4.78 118.70 102.13 1s78 s GLU 258 Ca 0.45 -0.33 0.02 0.00 -2.50 0.00 0.00 54.97 52.61 1s78 s GLU 258 Cb -0.23 -2.95 0.01 0.00 0.00 0.00 0.00 34.13 30.96 1s78 s GLU 258 CO 0.85 0.54 -0.19 -1.54 0.02 0.00 0.00 175.26 174.94 1s78 s SER 259 N -2.60 2.76 0.40 -1.70 1.04 -1.26 -2.00 113.70 110.34 1s78 s SER 259 Ca 0.37 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 56.15 1s78 s SER 259 Cb -0.12 -1.26 -0.08 0.00 0.10 0.00 0.00 66.02 64.66 1s78 s SER 259 CO 0.27 0.06 0.82 -0.04 0.98 0.00 0.00 173.24 175.33 1s78 s MET 260 N 0.82 3.93 0.38 4.02 -1.94 -0.84 -4.89 119.30 120.77 1s78 s MET 260 Ca -0.09 0.70 -0.27 0.00 -1.71 0.00 0.00 55.69 54.32 1s78 s MET 260 Cb -0.16 -2.33 -0.10 0.00 2.01 0.00 0.00 34.83 34.26 1s78 s MET 260 CO -0.00 -0.02 1.37 -1.25 -0.01 0.00 0.00 175.02 175.10 1s78 s PRO 261 N -3.55 4.12 -0.41 2.03 0.04 -1.26 -0.48 135.00 135.49 1s78 s PRO 261 Ca 0.55 2.31 -0.13 0.00 0.04 0.00 0.00 61.00 63.77 1s78 s PRO 261 Cb -0.10 -2.92 0.04 0.00 0.04 0.00 0.00 34.50 31.56 1s78 s PRO 261 CO 0.25 -0.42 0.28 1.21 0.04 0.00 0.00 177.00 178.35 1s78 s ASN 262 N -0.47 5.93 0.58 6.66 2.47 -0.76 -4.67 114.94 124.68 1s78 s ASN 262 Ca 0.53 -1.08 0.28 0.00 0.42 0.00 0.00 52.86 53.02 1s78 s ASN 262 Cb -0.41 -2.10 1.75 0.00 -1.45 0.00 0.00 41.25 39.04 1s78 s ASN 262 CO 0.55 -0.47 2.23 1.55 -3.72 0.00 0.00 177.10 177.24 1s78 h PRO 263 N 8.56 0.00 0.00 0.43 0.13 -1.92 0.21 132.00 139.41 1s78 h PRO 263 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1s78 h PRO 263 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1s78 h PRO 263 CO 0.74 0.01 -0.07 0.39 -0.23 0.00 0.00 178.00 178.84 1s78 n GLU 264 N -3.89 0.14 -1.72 0.86 -0.58 -1.26 -4.93 120.64 109.25 1s78 n GLU 264 Ca -0.03 0.11 -0.38 0.00 -0.42 0.00 0.00 57.16 56.44 1s78 n GLU 264 Cb 0.10 -1.65 0.05 0.00 -0.57 0.00 0.00 31.44 29.36 1s78 n GLU 264 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s78 n GLY 265 N 1.40 0.59 3.18 0.62 0.00 0.06 -4.82 105.19 106.22 1s78 n GLY 265 Ca 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1s78 n GLY 265 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s78 s ARG 266 N -3.00 0.94 0.05 1.61 1.81 -0.87 -4.82 118.95 114.68 1s78 s ARG 266 Ca 0.75 -1.43 0.03 0.00 -1.72 0.00 0.00 55.73 53.36 1s78 s ARG 266 Cb -0.41 -0.05 -0.04 0.00 -0.45 0.00 0.00 34.95 34.00 1s78 s ARG 266 CO 0.46 -0.14 0.04 0.71 -0.68 0.00 0.00 175.30 175.69 1s78 s TYR 267 N -3.79 3.12 -0.20 -0.53 1.51 0.15 -4.67 117.35 112.95 1s78 s TYR 267 Ca 0.20 0.07 -0.27 0.00 -1.01 0.00 0.00 57.07 56.05 1s78 s TYR 267 Cb 0.07 -1.62 -0.00 0.00 -0.11 0.00 0.00 41.96 40.29 1s78 s TYR 267 CO -0.00 0.50 0.95 0.95 -1.11 0.00 0.00 175.55 176.84 1s78 s THR 268 N -1.27 4.77 -0.15 -0.71 -4.23 -0.85 0.23 115.64 113.42 1s78 s THR 268 Ca 0.25 1.86 -0.02 0.00 -1.18 0.00 0.00 61.69 62.60 1s78 s THR 268 Cb -0.12 -4.24 0.05 0.00 1.34 0.00 0.00 72.50 69.53 1s78 s THR 268 CO 0.17 -0.08 0.01 0.12 -0.54 0.00 0.00 174.62 174.29 1s78 s PHE 269 N 2.70 1.07 0.00 3.99 5.36 -0.54 -2.59 117.98 127.97 1s78 s PHE 269 Ca 0.42 -0.70 0.00 0.00 -0.96 0.00 0.00 56.93 55.69 1s78 s PHE 269 Cb -0.16 -1.02 0.00 0.00 -0.34 0.00 0.00 43.02 41.50 1s78 s PHE 269 CO 0.10 -0.53 0.00 0.41 -1.46 0.00 0.00 175.22 173.74 1s78 n GLY 270 N 5.04 2.85 1.28 13.12 0.00 -1.26 -1.63 105.19 124.59 1s78 n GLY 270 Ca -0.09 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1s78 n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s78 n ALA 271 N 11.32 4.30 -3.13 4.61 0.00 -1.26 -5.01 120.51 131.34 1s78 n ALA 271 Ca 0.00 -3.53 -0.12 0.00 0.00 0.00 0.00 53.44 49.79 1s78 n ALA 271 Cb 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 1s78 n ALA 271 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1s78 s SER 272 N -3.41 -0.11 0.29 0.00 1.04 -0.64 -1.77 113.70 109.10 1s78 s SER 272 Ca 0.44 0.09 -0.28 0.00 0.48 0.00 0.00 55.95 56.68 1s78 s SER 272 Cb 0.39 0.32 -0.09 0.00 0.10 0.00 0.00 66.02 66.73 1s78 s SER 272 CO -0.02 -0.28 0.98 0.00 0.98 0.00 0.00 173.24 174.90 1s78 s VAL 274 N -1.36 0.22 0.21 0.00 1.01 0.13 -4.66 120.40 115.97 1s78 s VAL 274 Ca 0.46 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.31 1s78 s VAL 274 Cb -0.24 -0.23 0.15 0.00 0.00 0.00 0.00 36.38 36.05 1s78 s VAL 274 CO 0.30 0.10 1.76 0.74 0.00 0.00 0.00 175.10 178.00 1s78 h THR 275 N 5.49 1.26 -2.75 3.92 2.02 -1.87 0.43 112.91 121.41 1s78 h THR 275 Ca -0.32 -0.87 -0.12 0.00 0.77 0.00 0.00 66.41 65.86 1s78 h THR 275 Cb 1.18 0.38 -0.24 0.00 -1.74 0.00 0.00 68.15 67.72 1s78 h THR 275 CO 0.50 0.35 -0.25 0.00 0.37 0.00 0.00 175.52 176.48 1s78 s ALA 276 N -5.46 -1.00 0.31 6.16 0.00 -1.26 -4.68 121.76 115.83 1s78 s ALA 276 Ca -0.12 1.19 -0.28 0.00 0.00 0.00 0.00 51.96 52.74 1s78 s ALA 276 Cb 0.15 -0.70 -0.13 0.00 0.00 0.00 0.00 23.12 22.45 1s78 s ALA 276 CO 0.84 -0.20 1.23 0.00 0.00 0.00 0.00 175.76 177.63 1s78 s PRO 278 N -1.62 -1.08 0.12 0.00 0.02 -1.26 -4.83 135.00 126.34 1s78 s PRO 278 Ca 0.58 0.73 -0.26 0.00 0.02 0.00 0.00 61.00 62.07 1s78 s PRO 278 Cb -0.62 -1.54 -0.08 0.00 0.02 0.00 0.00 34.50 32.29 1s78 s PRO 278 CO 0.60 -3.80 1.44 -0.92 -0.33 0.00 0.00 177.00 173.99 1s78 h TYR 279 N -2.67 -1.45 -0.00 6.54 3.20 -1.99 -2.20 116.97 118.39 1s78 h TYR 279 Ca -0.61 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.34 1s78 h TYR 279 Cb 1.34 0.71 0.00 0.00 1.54 0.00 0.00 36.73 40.31 1s78 h TYR 279 CO 0.08 -0.35 -0.01 -1.71 -1.64 0.00 0.00 178.16 174.52 1s78 n ASN 280 N -4.85 0.29 -4.98 -2.11 5.15 -1.26 -4.88 115.26 102.63 1s78 n ASN 280 Ca -0.01 -1.01 -0.21 0.00 -0.60 0.00 0.00 54.58 52.76 1s78 n ASN 280 Cb 0.25 -0.02 0.02 0.00 -0.53 0.00 0.00 39.78 39.49 1s78 n ASN 280 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1s78 s TYR 281 N -2.07 3.01 -0.15 1.20 1.51 -0.83 -4.95 117.35 115.07 1s78 s TYR 281 Ca 0.44 -0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.48 1s78 s TYR 281 Cb 0.22 -2.41 0.02 0.00 -0.11 0.00 0.00 41.96 39.67 1s78 s TYR 281 CO 0.38 -0.48 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.63 1s78 s LEU 282 N -4.52 2.04 0.71 -1.29 1.43 0.10 -4.80 118.68 112.35 1s78 s LEU 282 Ca 0.52 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 1s78 s LEU 282 Cb -0.10 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.74 1s78 s LEU 282 CO 0.36 0.03 1.10 -0.94 0.23 0.00 0.00 176.35 177.13 1s78 s SER 283 N 1.10 4.84 -0.02 2.29 1.04 -1.26 -0.45 113.70 121.25 1s78 s SER 283 Ca -0.01 1.92 0.01 0.00 0.48 0.00 0.00 55.95 58.36 1s78 s SER 283 Cb -0.14 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.45 1s78 s SER 283 CO -0.07 -1.81 -0.04 -0.89 0.98 0.00 0.00 173.24 171.41 1s78 s THR 284 N -2.59 0.40 -0.04 2.02 2.01 -0.72 -2.10 115.64 114.63 1s78 s THR 284 Ca 0.64 -0.14 0.12 0.00 0.31 0.00 0.00 61.69 62.62 1s78 s THR 284 Cb -0.19 -0.39 0.12 0.00 0.01 0.00 0.00 72.50 72.05 1s78 s THR 284 CO 0.48 0.15 1.26 0.47 -0.69 0.00 0.00 174.62 176.29 1s78 n ASP 285 N 3.44 0.31 -0.69 3.53 8.00 -1.26 -0.51 116.55 129.38 1s78 n ASP 285 Ca -0.19 0.54 0.09 0.00 0.71 0.00 0.00 54.79 55.94 1s78 n ASP 285 Cb 0.55 -0.49 0.06 0.00 -0.02 0.00 0.00 41.12 41.22 1s78 n ASP 285 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1s78 n VAL 286 N -1.99 0.00 -0.28 2.53 3.14 -1.26 -4.97 118.33 115.50 1s78 n VAL 286 Ca -0.01 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1s78 n VAL 286 Cb 0.31 1.36 0.00 0.00 -1.06 0.00 0.00 33.84 34.45 1s78 n VAL 286 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1s78 n GLY 287 N 1.08 1.60 3.53 7.55 0.00 0.33 -5.02 105.19 114.26 1s78 n GLY 287 Ca 0.10 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1s78 n GLY 287 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s78 s SER 288 N -2.15 2.88 -0.16 1.61 1.04 -1.25 -2.00 113.70 113.67 1s78 s SER 288 Ca 0.00 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 54.87 1s78 s SER 288 Cb 0.00 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.43 1s78 s SER 288 CO 0.00 -0.80 -0.12 0.00 0.98 0.00 0.00 173.24 173.30 1s78 n THR 290 N 4.77 0.00 0.26 0.00 -2.24 0.41 -4.85 114.28 112.63 1s78 n THR 290 Ca -0.16 -2.33 0.03 0.00 -2.27 0.00 0.00 64.05 59.32 1s78 n THR 290 Cb 0.49 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.77 1s78 n THR 290 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s78 n LEU 291 N 0.00 0.67 -3.68 3.22 4.77 -1.26 0.03 117.00 120.75 1s78 n LEU 291 Ca 0.03 -0.67 -0.20 0.00 -0.03 0.00 0.00 56.01 55.15 1s78 n LEU 291 Cb 0.58 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.50 1s78 n LEU 291 CO 0.30 0.15 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.48 1s78 s VAL 292 N -1.18 -0.08 0.35 4.08 1.01 -1.26 -5.00 120.40 118.32 1s78 s VAL 292 Ca 0.04 0.40 -0.28 0.00 0.00 0.00 0.00 61.98 62.13 1s78 s VAL 292 Cb 0.04 -0.17 -0.12 0.00 0.00 0.00 0.00 36.38 36.14 1s78 s VAL 292 CO 0.17 0.18 1.45 0.00 0.00 0.00 0.00 175.10 176.91 1s78 s PRO 294 N -1.72 1.17 0.43 0.00 0.04 -1.26 -4.88 135.00 128.77 1s78 s PRO 294 Ca 0.56 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.75 1s78 s PRO 294 Cb -0.51 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 1s78 s PRO 294 CO 0.60 -2.48 1.04 -0.11 0.04 0.00 0.00 177.00 176.10 1s78 n LEU 295 N -4.11 2.84 0.00 -3.56 7.94 -1.26 -1.72 117.00 117.12 1s78 n LEU 295 Ca 0.10 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 56.04 1s78 n LEU 295 Cb 0.53 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.10 1s78 n LEU 295 CO 0.51 -1.38 0.00 1.41 -1.11 0.00 0.00 177.39 176.82 1s78 n HIS 296 N -0.49 0.00 -4.04 1.96 8.25 -1.26 -4.98 115.22 114.66 1s78 n HIS 296 Ca 0.09 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.30 1s78 n HIS 296 Cb 0.39 -1.38 -0.05 0.00 1.12 0.00 0.00 29.99 30.06 1s78 n HIS 296 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1s78 s ASN 297 N -2.03 4.54 -0.07 0.41 -0.87 -0.70 -2.19 114.94 114.04 1s78 s ASN 297 Ca 0.00 -1.10 -0.16 0.00 -1.57 0.00 0.00 52.86 50.02 1s78 s ASN 297 Cb 0.00 -0.24 0.03 0.00 -0.02 0.00 0.00 41.25 41.02 1s78 s ASN 297 CO 0.00 -0.69 0.38 -1.58 -2.57 0.00 0.00 177.10 172.64 1s78 s GLN 298 N -4.01 0.64 -0.13 -0.60 0.74 0.17 -4.81 119.66 111.65 1s78 s GLN 298 Ca 0.38 0.12 -0.29 0.00 0.05 0.00 0.00 55.36 55.61 1s78 s GLN 298 Cb 0.01 0.30 -0.01 0.00 1.10 0.00 0.00 33.01 34.41 1s78 s GLN 298 CO 0.22 -0.16 1.14 -2.00 -0.55 0.00 0.00 175.29 173.94 1s78 s GLU 299 N -0.78 4.32 -0.01 1.67 2.12 -1.26 -1.01 118.70 123.74 1s78 s GLU 299 Ca -0.09 1.54 0.03 0.00 0.36 0.00 0.00 54.97 56.82 1s78 s GLU 299 Cb -0.04 -3.63 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 1s78 s GLU 299 CO 0.04 -0.53 -0.11 0.14 -0.54 0.00 0.00 175.26 174.26 1s78 s VAL 300 N 2.73 0.85 -1.00 3.70 -7.23 0.26 -4.96 120.40 114.75 1s78 s VAL 300 Ca 0.51 -0.48 -0.23 0.00 -1.81 0.00 0.00 61.98 59.97 1s78 s VAL 300 Cb -0.20 -0.72 0.02 0.00 0.56 0.00 0.00 36.38 36.04 1s78 s VAL 300 CO 0.16 0.22 1.60 -0.89 -0.31 0.00 0.00 175.10 175.87 1s78 s THR 301 N -0.29 3.80 1.33 5.32 2.01 -1.26 -2.06 115.64 124.49 1s78 s THR 301 Ca 0.04 -0.70 -0.21 0.00 0.31 0.00 0.00 61.69 61.13 1s78 s THR 301 Cb -0.04 -4.78 0.33 0.00 0.01 0.00 0.00 72.50 68.02 1s78 s THR 301 CO -0.00 -1.67 1.01 0.00 -0.69 0.00 0.00 174.62 173.27 1s78 s ALA 302 N 6.37 -0.15 -2.00 7.40 0.00 -0.91 -4.85 121.76 127.62 1s78 s ALA 302 Ca 0.53 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.68 1s78 s ALA 302 Cb -0.02 -2.91 0.48 0.00 0.00 0.00 0.00 23.12 20.67 1s78 s ALA 302 CO -0.07 -4.17 0.90 0.39 0.00 0.00 0.00 175.76 172.81 1s78 n GLU 303 N -5.26 0.29 0.00 0.00 1.02 -1.26 -3.05 120.64 112.37 1s78 n GLU 303 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1s78 n GLU 303 Cb 0.60 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1s78 n GLU 303 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1s78 n ASP 304 N -0.93 0.00 0.00 1.62 10.43 -1.26 -5.02 116.55 121.39 1s78 n ASP 304 Ca 0.06 0.04 0.00 0.00 2.57 0.00 0.00 54.79 57.46 1s78 n ASP 304 Cb 0.03 -0.14 0.00 0.00 1.84 0.00 0.00 41.12 42.85 1s78 n ASP 304 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s78 n GLY 305 N 2.26 0.00 3.77 0.44 0.00 -1.17 -5.14 105.19 105.35 1s78 n GLY 305 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1s78 n GLY 305 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s78 s THR 306 N 0.00 2.32 0.47 2.61 2.01 -1.26 -4.77 115.64 117.01 1s78 s THR 306 Ca 0.00 0.29 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 1s78 s THR 306 Cb 0.00 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.26 1s78 s THR 306 CO 0.00 0.05 0.93 -1.10 -0.69 0.00 0.00 174.62 173.81 1s78 s GLN 307 N -2.29 3.97 -0.17 4.92 -1.52 -1.26 -2.15 119.66 121.15 1s78 s GLN 307 Ca 0.58 0.88 -0.28 0.00 -1.95 0.00 0.00 55.36 54.59 1s78 s GLN 307 Cb -0.42 -2.20 0.08 0.00 -0.22 0.00 0.00 33.01 30.26 1s78 s GLN 307 CO 0.54 -0.17 0.78 0.50 -0.25 0.00 0.00 175.29 176.69 1s78 s ARG 308 N -3.84 0.85 -0.62 2.91 3.52 -0.88 -4.45 118.95 116.45 1s78 s ARG 308 Ca 0.58 0.55 -0.18 0.00 -0.13 0.00 0.00 55.73 56.55 1s78 s ARG 308 Cb -0.10 0.41 0.12 0.00 -1.56 0.00 0.00 34.95 33.82 1s78 s ARG 308 CO 0.28 -0.20 0.70 0.00 -0.81 0.00 0.00 175.30 175.27 1s78 s GLU 310 N 2.26 3.48 0.63 0.00 -1.05 -0.18 -4.04 118.70 119.80 1s78 s GLU 310 Ca 0.12 -0.47 -0.18 0.00 -0.15 0.00 0.00 54.97 54.29 1s78 s GLU 310 Cb -0.23 -2.89 -0.02 0.00 -0.44 0.00 0.00 34.13 30.56 1s78 s GLU 310 CO 0.03 0.44 1.22 0.15 0.95 0.00 0.00 175.26 178.05 1s78 s LYS 311 N -3.37 2.73 -0.26 -4.83 1.02 -1.26 -0.66 119.74 113.11 1s78 s LYS 311 Ca 0.37 1.84 -0.10 0.00 0.02 0.00 0.00 55.97 58.10 1s78 s LYS 311 Cb -0.11 -1.90 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1s78 s LYS 311 CO 0.29 -1.40 0.15 0.00 -0.92 0.00 0.00 175.35 173.47 1s78 n SER 313 N 4.81 0.00 -4.20 0.00 7.64 -1.26 -4.76 113.62 115.85 1s78 n SER 313 Ca -0.15 0.47 -0.34 0.00 1.01 0.00 0.00 58.87 59.86 1s78 n SER 313 Cb 0.52 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.85 1s78 n SER 313 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s78 n LYS 314 N -0.50 -1.15 -1.72 1.43 5.02 -1.26 -4.93 118.16 115.07 1s78 n LYS 314 Ca 0.00 -0.32 -0.38 0.00 -2.02 0.00 0.00 58.31 55.58 1s78 n LYS 314 Cb 0.00 -1.51 0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1s78 n LYS 314 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1s78 n PRO 315 N -0.79 1.49 -2.04 1.97 -0.02 -1.26 -4.92 135.00 129.42 1s78 n PRO 315 Ca -0.00 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.63 1s78 n PRO 315 Cb 0.66 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 1s78 n PRO 315 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s78 s ALA 317 N -1.19 2.82 0.58 0.00 0.00 -1.26 -4.96 121.76 117.76 1s78 s ALA 317 Ca 0.53 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 53.34 1s78 s ALA 317 Cb -0.40 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1s78 s ALA 317 CO 0.53 -0.94 1.11 -0.98 0.00 0.00 0.00 175.76 175.48 1s78 s ARG 318 N -2.94 3.18 0.03 0.00 3.03 -1.26 -5.04 118.95 115.96 1s78 s ARG 318 Ca 0.69 1.49 0.00 0.00 2.03 0.00 0.00 55.73 59.95 1s78 s ARG 318 Cb -0.31 -1.99 -0.02 0.00 -1.03 0.00 0.00 34.95 31.59 1s78 s ARG 318 CO 0.36 -0.96 -0.04 0.08 -1.13 0.00 0.00 175.30 173.62 1s78 s VAL 319 N -2.03 0.19 -0.18 4.99 1.01 -1.26 -5.13 120.40 117.99 1s78 s VAL 319 Ca 0.70 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 1s78 s VAL 319 Cb -0.22 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1s78 s VAL 319 CO 0.32 -0.50 0.69 0.00 0.00 0.00 0.00 175.10 175.61 1s78 s TYR 321 N 1.90 3.61 0.00 0.00 2.02 -1.26 0.08 117.35 123.70 1s78 s TYR 321 Ca 0.32 0.67 0.00 0.00 -0.37 0.00 0.00 57.07 57.69 1s78 s TYR 321 Cb -0.16 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.34 1s78 s TYR 321 CO 0.11 0.63 0.00 0.41 -1.57 0.00 0.00 175.55 175.13 1s78 n GLY 322 N 1.38 3.37 3.77 0.71 0.00 0.21 -4.80 105.19 109.83 1s78 n GLY 322 Ca -0.13 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.44 1s78 n GLY 322 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s78 s LEU 323 N 0.00 4.34 -0.04 0.99 1.43 0.20 -2.72 118.68 122.88 1s78 s LEU 323 Ca 0.00 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 1s78 s LEU 323 Cb 0.00 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1s78 s LEU 323 CO 0.00 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 176.78 1s78 n GLY 324 N 0.81 0.46 2.87 -3.19 0.00 0.19 -2.43 105.19 103.89 1s78 n GLY 324 Ca 0.02 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 1s78 n GLY 324 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1s78 s MET 325 N -1.08 0.32 1.55 1.61 0.00 -1.10 -4.61 119.30 115.99 1s78 s MET 325 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 55.69 55.67 1s78 s MET 325 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 34.83 34.42 1s78 s MET 325 CO 0.00 -0.04 0.00 0.39 0.00 0.00 0.00 175.02 175.37 1s78 n GLU 326 N 3.64 0.00 0.00 4.11 -0.58 -1.26 -0.62 120.64 125.93 1s78 n GLU 326 Ca -0.21 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.61 1s78 n GLU 326 Cb 0.54 0.00 0.49 0.00 -0.57 0.00 0.00 31.44 31.90 1s78 n GLU 326 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1s78 n HIS 327 N 14.00 0.00 -1.43 -0.32 1.44 -1.26 -0.83 115.22 126.82 1s78 n HIS 327 Ca 0.00 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.78 1s78 n HIS 327 Cb 0.00 -0.01 0.19 0.00 0.12 0.00 0.00 29.99 30.29 1s78 n HIS 327 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1s78 n LEU 328 N -1.01 2.64 -0.32 2.39 4.77 0.21 -4.81 117.00 120.86 1s78 n LEU 328 Ca 0.12 -3.65 -0.02 0.00 -0.03 0.00 0.00 56.01 52.42 1s78 n LEU 328 Cb 0.06 -0.50 0.10 0.00 -2.33 0.00 0.00 43.42 40.75 1s78 n LEU 328 CO 0.10 1.19 1.23 -0.09 -1.33 0.00 0.00 177.39 178.49 1s78 h ARG 329 N 0.70 1.11 -0.20 3.23 2.43 -0.76 0.54 114.38 121.44 1s78 h ARG 329 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1s78 h ARG 329 Cb 1.02 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1s78 h ARG 329 CO 0.01 0.74 0.00 0.39 -1.51 0.00 0.00 179.97 179.60 1s78 n GLU 330 N -4.50 2.26 -2.79 0.20 -0.58 -1.26 -3.53 120.64 110.43 1s78 n GLU 330 Ca 0.10 -2.03 -0.42 0.00 -0.42 0.00 0.00 57.16 54.40 1s78 n GLU 330 Cb 0.05 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.43 1s78 n GLU 330 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1s78 s VAL 331 N -1.63 4.86 0.14 2.62 1.01 -1.15 -4.95 120.40 121.30 1s78 s VAL 331 Ca 0.31 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 64.14 1s78 s VAL 331 Cb 0.20 -4.23 -0.18 0.00 0.00 0.00 0.00 36.38 32.17 1s78 s VAL 331 CO 0.29 0.07 1.31 0.08 0.00 0.00 0.00 175.10 176.85 1s78 h ARG 332 N 7.07 0.27 -3.33 2.72 0.11 -1.93 -3.40 114.38 115.90 1s78 h ARG 332 Ca -0.33 -0.32 -0.05 0.00 0.10 0.00 0.00 59.98 59.38 1s78 h ARG 332 Cb 1.16 0.10 -0.13 0.00 1.11 0.00 0.00 29.97 32.21 1s78 h ARG 332 CO 0.82 1.04 -0.02 0.00 0.10 0.00 0.00 179.97 181.91 1s78 s ALA 333 N -3.13 -1.04 0.16 0.08 0.00 -1.26 -4.73 121.76 111.84 1s78 s ALA 333 Ca -0.04 0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.64 1s78 s ALA 333 Cb 0.09 0.73 -0.09 0.00 0.00 0.00 0.00 23.12 23.86 1s78 s ALA 333 CO 0.85 -0.67 1.43 0.08 0.00 0.00 0.00 175.76 177.45 1s78 s VAL 334 N -3.80 2.99 0.28 0.00 1.01 -0.21 -4.98 120.40 115.70 1s78 s VAL 334 Ca 0.03 0.75 0.03 0.00 0.00 0.00 0.00 61.98 62.78 1s78 s VAL 334 Cb 0.01 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1s78 s VAL 334 CO -0.12 0.08 0.17 0.42 0.00 0.00 0.00 175.10 175.65 1s78 s THR 335 N 0.77 0.21 -0.27 3.92 -4.23 -1.26 -4.46 115.64 110.32 1s78 s THR 335 Ca 0.64 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.35 1s78 s THR 335 Cb -0.39 -2.51 0.20 0.00 1.34 0.00 0.00 72.50 71.14 1s78 s THR 335 CO 0.34 0.00 1.62 -1.54 -0.54 0.00 0.00 174.62 174.50 1s78 n SER 336 N -0.86 0.53 0.04 3.99 3.41 -1.26 -1.21 113.62 118.26 1s78 n SER 336 Ca 0.02 0.74 0.13 0.00 -0.26 0.00 0.00 58.87 59.50 1s78 n SER 336 Cb 0.65 -0.81 0.40 0.00 -0.26 0.00 0.00 64.21 64.19 1s78 n SER 336 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s78 n ALA 337 N -1.76 2.69 -0.69 7.33 0.00 -1.26 -4.27 120.51 122.54 1s78 n ALA 337 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1s78 n ALA 337 Cb 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1s78 n ALA 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1s78 n ASN 338 N -1.81 0.09 -0.13 0.00 0.23 -0.35 -4.92 115.26 108.38 1s78 n ASN 338 Ca 0.06 -0.80 -0.10 0.00 -0.53 0.00 0.00 54.58 53.21 1s78 n ASN 338 Cb 0.38 0.02 -0.02 0.00 -2.08 0.00 0.00 39.78 38.09 1s78 n ASN 338 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1s78 h ILE 339 N 0.69 1.24 -0.25 1.53 6.09 -1.38 -1.99 117.51 123.44 1s78 h ILE 339 Ca 0.00 -0.83 0.07 0.00 -1.37 0.00 0.00 64.86 62.73 1s78 h ILE 339 Cb 0.35 1.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.70 1s78 h ILE 339 CO 0.00 0.28 0.30 1.56 -3.07 0.00 0.00 178.15 177.22 1s78 h GLN 340 N 0.45 0.00 -0.12 2.19 1.08 -1.86 -1.36 115.11 115.48 1s78 h GLN 340 Ca 0.11 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.35 1s78 h GLN 340 Cb 0.35 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1s78 h GLN 340 CO 0.01 0.00 0.19 0.93 -0.95 0.00 0.00 178.83 179.00 1s78 h GLU 341 N 0.00 0.00 -0.02 1.46 5.08 -1.73 -0.46 114.58 118.91 1s78 h GLU 341 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1s78 h GLU 341 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1s78 h GLU 341 CO -0.00 0.00 -0.16 1.19 -1.00 0.00 0.00 179.01 179.04 1s78 n PHE 342 N -3.55 0.00 -1.68 4.33 3.01 -0.51 -4.91 117.46 114.14 1s78 n PHE 342 Ca 0.00 0.00 -0.54 0.00 1.01 0.00 0.00 57.45 57.92 1s78 n PHE 342 Cb 0.29 -0.02 -0.07 0.00 -0.01 0.00 0.00 39.48 39.68 1s78 n PHE 342 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s78 n ALA 343 N 0.42 0.24 -0.25 4.37 0.00 -0.18 -0.92 120.51 124.18 1s78 n ALA 343 Ca 0.14 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1s78 n ALA 343 Cb 0.47 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1s78 n ALA 343 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s78 n GLY 344 N 4.51 1.82 3.71 0.00 0.00 -1.26 -5.00 105.19 108.96 1s78 n GLY 344 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1s78 n GLY 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s78 n LYS 346 N 4.29 0.66 -3.88 0.00 5.02 -1.26 -2.83 118.16 120.16 1s78 n LYS 346 Ca 0.13 0.19 -0.21 0.00 -2.02 0.00 0.00 58.31 56.40 1s78 n LYS 346 Cb 0.41 -1.69 -0.17 0.00 -0.02 0.00 0.00 35.03 33.55 1s78 n LYS 346 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1s78 s LYS 347 N -2.56 0.59 -0.26 1.97 2.20 -1.26 0.75 119.74 121.17 1s78 s LYS 347 Ca -0.08 0.07 -0.10 0.00 -0.36 0.00 0.00 55.97 55.50 1s78 s LYS 347 Cb 0.07 -0.86 -0.04 0.00 -1.51 0.00 0.00 37.83 35.49 1s78 s LYS 347 CO 0.82 -0.23 0.15 0.42 -0.36 0.00 0.00 175.35 176.15 1s78 s ILE 348 N 1.61 5.06 -0.82 5.43 1.01 0.14 -4.23 121.20 129.40 1s78 s ILE 348 Ca -0.01 0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 1s78 s ILE 348 Cb -0.13 -3.39 0.08 0.00 0.01 0.00 0.00 42.46 39.03 1s78 s ILE 348 CO -0.03 0.29 1.15 -0.36 0.00 0.00 0.00 174.94 175.99 1s78 s PHE 349 N 1.56 2.71 -5.00 3.97 0.40 0.11 -1.73 117.98 120.00 1s78 s PHE 349 Ca 0.07 -0.76 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 1s78 s PHE 349 Cb -0.15 -4.42 0.00 0.00 0.51 0.00 0.00 43.02 38.96 1s78 s PHE 349 CO 0.08 -1.73 0.00 0.41 0.70 0.00 0.00 175.22 174.68 1s78 n GLY 350 N 5.67 0.76 3.45 4.36 0.00 -1.26 0.63 105.19 118.81 1s78 n GLY 350 Ca 0.12 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.22 1s78 n GLY 350 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s78 s SER 351 N -4.00 2.88 -0.08 1.61 0.01 -1.02 0.03 113.70 113.13 1s78 s SER 351 Ca 0.00 -1.23 0.04 0.00 1.31 0.00 0.00 55.95 56.07 1s78 s SER 351 Cb 0.00 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1s78 s SER 351 CO 0.00 -0.37 -0.20 -0.76 0.41 0.00 0.00 173.24 172.32 1s78 s LEU 352 N -3.48 1.94 -0.11 2.44 1.43 -0.87 0.59 118.68 120.61 1s78 s LEU 352 Ca 0.31 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1s78 s LEU 352 Cb 0.05 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 45.07 1s78 s LEU 352 CO 0.13 0.12 -0.22 0.00 0.23 0.00 0.00 176.35 176.62 1s78 s ALA 353 N 0.41 2.06 -0.34 4.21 0.00 -1.26 -1.30 121.76 125.55 1s78 s ALA 353 Ca -0.16 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 1s78 s ALA 353 Cb -0.17 -0.83 0.05 0.00 0.00 0.00 0.00 23.12 22.17 1s78 s ALA 353 CO 0.07 0.17 0.09 -0.06 0.00 0.00 0.00 175.76 176.03 1s78 s PHE 354 N 0.53 3.28 0.44 0.00 0.40 0.28 -1.05 117.98 121.86 1s78 s PHE 354 Ca -0.15 -1.57 0.07 0.00 -0.60 0.00 0.00 56.93 54.69 1s78 s PHE 354 Cb -0.17 -2.32 -0.01 0.00 0.51 0.00 0.00 43.02 41.03 1s78 s PHE 354 CO 0.05 -0.76 0.38 -0.51 0.70 0.00 0.00 175.22 175.08 1s78 s LEU 355 N 1.36 3.29 0.37 -0.37 1.02 -1.26 -0.15 118.68 122.93 1s78 s LEU 355 Ca -0.02 -0.83 0.09 0.00 0.02 0.00 0.00 54.13 53.39 1s78 s LEU 355 Cb -0.20 -1.90 0.82 0.00 0.02 0.00 0.00 46.19 44.93 1s78 s LEU 355 CO 0.02 -0.72 1.91 -0.65 0.02 0.00 0.00 176.35 176.93 1s78 h PRO 356 N 1.00 0.66 0.00 1.29 0.11 -1.89 -0.99 132.00 132.19 1s78 h PRO 356 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1s78 h PRO 356 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1s78 h PRO 356 CO 0.58 0.44 0.00 1.05 -0.21 0.00 0.00 178.00 179.86 1s78 h GLU 357 N 0.68 0.00 -0.65 1.05 4.11 -1.92 -1.07 114.58 116.78 1s78 h GLU 357 Ca 0.39 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.79 1s78 h GLU 357 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1s78 h GLU 357 CO -0.16 0.00 0.31 0.77 0.07 0.00 0.00 179.01 180.00 1s78 h SER 358 N 0.00 0.86 0.00 3.06 0.02 -1.39 -3.39 113.55 112.71 1s78 h SER 358 Ca 0.00 -0.14 -0.27 0.00 -0.84 0.00 0.00 61.79 60.55 1s78 h SER 358 Cb 0.32 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 1s78 h SER 358 CO 0.00 0.76 -2.00 0.49 -1.14 0.00 0.00 176.83 174.93 1s78 n PHE 359 N -4.47 0.00 -3.08 3.45 3.01 -0.54 -2.10 117.46 113.73 1s78 n PHE 359 Ca 0.05 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.11 1s78 n PHE 359 Cb 0.13 -0.70 -0.06 0.00 -0.01 0.00 0.00 39.48 38.85 1s78 n PHE 359 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1s78 s ASP 360 N -5.28 7.20 1.19 4.37 -4.77 -0.52 -4.27 116.67 114.59 1s78 s ASP 360 Ca -0.16 1.43 -0.18 0.00 -3.30 0.00 0.00 52.55 50.33 1s78 s ASP 360 Cb 0.05 -2.44 0.27 0.00 -1.09 0.00 0.00 42.92 39.71 1s78 s ASP 360 CO 0.49 0.15 1.03 0.61 0.70 0.00 0.00 175.17 178.16 1s78 n GLY 361 N 1.99 -2.54 3.44 2.12 0.00 -1.26 -4.27 105.19 104.67 1s78 n GLY 361 Ca -0.06 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 1s78 n GLY 361 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s78 s ASP 362 N -4.39 5.73 0.00 1.61 -1.08 -0.97 -4.91 116.67 112.65 1s78 s ASP 362 Ca 0.65 -0.66 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 1s78 s ASP 362 Cb -0.06 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.36 1s78 s ASP 362 CO 0.49 -0.27 0.35 -0.81 0.52 0.00 0.00 175.17 175.45 1s78 n PRO 363 N 5.02 0.00 0.00 4.34 -0.04 -1.26 -2.05 135.00 141.01 1s78 n PRO 363 Ca -0.13 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1s78 n PRO 363 Cb 0.48 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.10 1s78 n PRO 363 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s78 n ALA 364 N -1.32 0.00 -3.55 0.55 0.00 -1.26 -1.34 120.51 113.59 1s78 n ALA 364 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1s78 n ALA 364 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1s78 n ALA 364 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s78 s SER 365 N 0.00 6.21 0.00 0.00 0.01 -1.26 -4.98 113.70 113.68 1s78 s SER 365 Ca 0.00 -3.35 0.00 0.00 1.31 0.00 0.00 55.95 53.91 1s78 s SER 365 Cb 0.00 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.23 1s78 s SER 365 CO 0.00 -0.30 0.00 -0.46 0.41 0.00 0.00 173.24 172.89 1s78 n ASN 366 N 2.91 0.00 -3.94 2.44 0.23 -0.45 -4.86 115.26 111.59 1s78 n ASN 366 Ca 0.18 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.92 1s78 n ASN 366 Cb 0.39 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.94 1s78 n ASN 366 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1s78 s THR 367 N 0.00 1.65 0.42 5.53 -4.23 -0.87 -5.07 115.64 113.07 1s78 s THR 367 Ca 0.00 -1.49 -0.26 0.00 -1.18 0.00 0.00 61.69 58.76 1s78 s THR 367 Cb 0.00 -1.99 -0.09 0.00 1.34 0.00 0.00 72.50 71.76 1s78 s THR 367 CO 0.00 -0.26 1.38 0.00 -0.54 0.00 0.00 174.62 175.20 1s78 s ALA 368 N 1.30 3.30 0.14 3.99 0.00 -1.26 -2.30 121.76 126.93 1s78 s ALA 368 Ca -0.01 1.38 -0.34 0.00 0.00 0.00 0.00 51.96 52.98 1s78 s ALA 368 Cb -0.19 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.23 1s78 s ALA 368 CO -0.09 -1.01 1.31 -0.35 0.00 0.00 0.00 175.76 175.63 1s78 n PRO 369 N 0.05 1.36 -1.87 0.00 -0.04 -1.26 -4.19 135.00 129.06 1s78 n PRO 369 Ca 0.04 0.49 -0.42 0.00 -0.04 0.00 0.00 63.50 63.56 1s78 n PRO 369 Cb 0.42 -2.10 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 1s78 n PRO 369 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1s78 s LEU 370 N 0.56 4.23 0.42 1.53 2.96 -0.89 -4.87 118.68 122.61 1s78 s LEU 370 Ca 0.78 2.28 -0.20 0.00 -0.22 0.00 0.00 54.13 56.77 1s78 s LEU 370 Cb -0.85 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.20 1s78 s LEU 370 CO 0.48 -1.11 0.92 -1.10 -1.32 0.00 0.00 176.35 174.22 1s78 s GLN 371 N 4.48 4.18 0.28 1.98 -1.52 -1.26 -4.73 119.66 123.08 1s78 s GLN 371 Ca 0.81 1.04 -0.01 0.00 -1.95 0.00 0.00 55.36 55.24 1s78 s GLN 371 Cb -0.35 -2.22 0.41 0.00 -0.22 0.00 0.00 33.01 30.62 1s78 s GLN 371 CO 0.34 -0.01 1.85 -1.35 -0.25 0.00 0.00 175.29 175.87 1s78 h PRO 372 N 1.92 0.87 0.00 2.91 0.11 -1.99 -2.24 132.00 133.57 1s78 h PRO 372 Ca -0.49 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 65.46 1s78 h PRO 372 Cb 1.18 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1s78 h PRO 372 CO 0.62 0.74 -0.02 1.05 -0.21 0.00 0.00 178.00 180.18 1s78 h GLU 373 N 0.85 0.00 0.00 1.05 9.09 -2.03 -0.73 114.58 122.80 1s78 h GLU 373 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 1s78 h GLU 373 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 1s78 h GLU 373 CO -0.01 0.02 0.00 1.96 0.05 0.00 0.00 179.01 181.03 1s78 h GLN 374 N 0.00 0.00 0.00 1.06 4.20 -1.80 -2.55 115.11 116.03 1s78 h GLN 374 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s78 h GLN 374 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1s78 h GLN 374 CO 0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 1s78 n LEU 375 N -3.01 0.24 0.14 1.46 4.77 -0.28 -2.77 117.00 117.54 1s78 n LEU 375 Ca -0.00 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 1s78 n LEU 375 Cb 0.24 -0.52 0.51 0.00 -2.33 0.00 0.00 43.42 41.32 1s78 n LEU 375 CO 0.25 -0.35 0.82 0.00 -1.33 0.00 0.00 177.39 176.78 1s78 n GLN 376 N -1.76 0.15 -0.06 3.23 6.02 -0.96 -2.32 117.38 121.68 1s78 n GLN 376 Ca 0.03 0.54 0.09 0.00 -0.01 0.00 0.00 57.00 57.66 1s78 n GLN 376 Cb 0.20 -1.89 0.47 0.00 1.02 0.00 0.00 30.24 30.04 1s78 n GLN 376 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 1s78 h VAL 377 N 0.00 0.97 0.00 5.09 -1.51 -1.78 -2.37 116.25 116.65 1s78 h VAL 377 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1s78 h VAL 377 Cb 0.14 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 29.75 1s78 h VAL 377 CO 0.00 0.09 0.00 0.49 -1.23 0.00 0.00 177.57 176.92 1s78 n PHE 378 N -4.47 0.00 0.39 5.19 3.01 -0.98 -3.56 117.46 117.04 1s78 n PHE 378 Ca 0.08 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.66 1s78 n PHE 378 Cb 0.27 0.00 0.51 0.00 -0.01 0.00 0.00 39.48 40.25 1s78 n PHE 378 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1s78 h GLU 379 N 0.00 0.00 0.00 -1.08 5.08 -1.27 -2.08 114.58 115.23 1s78 h GLU 379 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1s78 h GLU 379 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1s78 h GLU 379 CO 0.00 0.00 -1.27 0.25 -1.00 0.00 0.00 179.01 176.99 1s78 n THR 380 N -2.35 0.54 -1.68 1.13 -2.24 -1.23 -4.57 114.28 103.88 1s78 n THR 380 Ca 0.02 -0.55 -0.45 0.00 -2.27 0.00 0.00 64.05 60.80 1s78 n THR 380 Cb 0.25 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.14 1s78 n THR 380 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1s78 n LEU 381 N -2.61 3.56 -0.03 3.22 7.94 -0.78 -4.46 117.00 123.84 1s78 n LEU 381 Ca -0.02 1.02 -0.03 0.00 -1.11 0.00 0.00 56.01 55.87 1s78 n LEU 381 Cb 0.59 -1.46 -0.04 0.00 0.53 0.00 0.00 43.42 43.03 1s78 n LEU 381 CO 0.42 -0.04 -0.69 -0.62 -1.11 0.00 0.00 177.39 175.34 1s78 n GLU 382 N 5.03 2.35 -3.84 1.96 1.02 0.23 -1.84 120.64 125.55 1s78 n GLU 382 Ca 0.19 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.21 1s78 n GLU 382 Cb 0.32 -1.14 -0.14 0.00 -0.02 0.00 0.00 31.44 30.46 1s78 n GLU 382 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1s78 s GLU 383 N -2.13 -0.00 -0.10 3.49 2.12 -0.69 0.71 118.70 122.09 1s78 s GLU 383 Ca -0.04 0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.40 1s78 s GLU 383 Cb 0.02 -0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.34 1s78 s GLU 383 CO 0.20 -0.05 -0.23 0.42 -0.54 0.00 0.00 175.26 175.06 1s78 s ILE 384 N 0.33 2.03 0.02 -3.70 1.01 -0.79 -0.69 121.20 119.41 1s78 s ILE 384 Ca -0.03 -1.00 0.08 0.00 0.00 0.00 0.00 60.65 59.70 1s78 s ILE 384 Cb -0.04 -1.76 -0.23 0.00 0.01 0.00 0.00 42.46 40.44 1s78 s ILE 384 CO -0.01 0.55 0.89 0.71 0.00 0.00 0.00 174.94 177.08 1s78 h THR 385 N 5.73 1.17 0.00 2.92 1.35 -1.30 0.18 112.91 122.96 1s78 h THR 385 Ca -0.20 -2.95 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 1s78 h THR 385 Cb 1.23 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1s78 h THR 385 CO 0.48 0.71 0.00 0.61 -0.25 0.00 0.00 175.52 177.06 1s78 n GLY 386 N 1.51 0.71 3.27 5.82 0.00 0.10 -0.39 105.19 116.22 1s78 n GLY 386 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1s78 n GLY 386 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s78 s TYR 387 N 1.26 1.37 -0.18 1.61 -0.85 -1.22 -1.20 117.35 118.14 1s78 s TYR 387 Ca 0.00 -0.74 -0.07 0.00 -0.52 0.00 0.00 57.07 55.73 1s78 s TYR 387 Cb 0.00 -0.70 -0.04 0.00 0.38 0.00 0.00 41.96 41.60 1s78 s TYR 387 CO 0.00 0.12 0.06 -1.17 -1.52 0.00 0.00 175.55 173.03 1s78 s LEU 388 N -3.21 3.78 -0.19 -3.49 2.96 -0.57 -2.06 118.68 115.90 1s78 s LEU 388 Ca 0.19 0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 54.16 1s78 s LEU 388 Cb 0.02 -1.95 0.06 0.00 0.50 0.00 0.00 46.19 44.82 1s78 s LEU 388 CO 0.02 0.18 0.00 -0.47 -1.32 0.00 0.00 176.35 174.76 1s78 s TYR 389 N 0.35 1.42 -0.31 5.38 5.04 -0.42 -2.17 117.35 126.64 1s78 s TYR 389 Ca 0.03 -1.06 0.04 0.00 -2.44 0.00 0.00 57.07 53.63 1s78 s TYR 389 Cb -0.12 -1.18 0.09 0.00 0.35 0.00 0.00 41.96 41.09 1s78 s TYR 389 CO 0.00 -0.63 -0.00 0.42 -1.34 0.00 0.00 175.55 173.99 1s78 s ILE 390 N 1.72 2.26 -2.09 3.14 1.01 -0.02 0.99 121.20 128.21 1s78 s ILE 390 Ca -0.02 -2.09 0.19 0.00 0.00 0.00 0.00 60.65 58.73 1s78 s ILE 390 Cb -0.17 -2.55 0.09 0.00 0.01 0.00 0.00 42.46 39.84 1s78 s ILE 390 CO -0.07 -0.40 1.03 -1.54 0.00 0.00 0.00 174.94 173.96 1s78 n SER 391 N 4.32 2.27 -3.71 3.58 3.41 0.78 -1.94 113.62 122.33 1s78 n SER 391 Ca -0.02 -1.63 -0.13 0.00 -0.26 0.00 0.00 58.87 56.82 1s78 n SER 391 Cb 0.42 0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 1s78 n SER 391 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s78 s ALA 392 N -1.75 -0.94 -0.28 7.33 0.00 -1.08 -4.59 121.76 120.45 1s78 s ALA 392 Ca 0.19 0.39 -0.22 0.00 0.00 0.00 0.00 51.96 52.32 1s78 s ALA 392 Cb 0.15 0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.54 1s78 s ALA 392 CO 0.31 -0.35 0.83 -0.46 0.00 0.00 0.00 175.76 176.09 1s78 s TRP 393 N -1.81 -0.73 0.12 0.00 -0.11 -1.26 -4.65 118.94 110.49 1s78 s TRP 393 Ca -0.10 1.68 -0.35 0.00 1.22 0.00 0.00 56.10 58.55 1s78 s TRP 393 Cb -0.03 0.37 -0.15 0.00 -1.50 0.00 0.00 33.47 32.17 1s78 s TRP 393 CO 0.02 -0.36 1.51 -2.30 -4.62 0.00 0.00 176.95 171.20 1s78 n PRO 394 N 2.96 1.76 -0.06 5.86 -0.02 -1.26 -4.85 135.00 139.40 1s78 n PRO 394 Ca -0.15 0.64 0.07 0.00 -2.02 0.00 0.00 63.50 62.04 1s78 n PRO 394 Cb 0.56 -2.36 0.44 0.00 -0.02 0.00 0.00 33.50 32.13 1s78 n PRO 394 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1s78 h ASP 395 N 5.57 0.46 0.29 2.55 5.19 -1.97 -1.88 116.42 126.63 1s78 h ASP 395 Ca -0.46 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1s78 h ASP 395 Cb 1.29 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1s78 h ASP 395 CO 0.85 0.31 0.00 -1.54 -3.12 0.00 0.00 179.24 175.74 1s78 n SER 396 N -4.47 0.00 -4.33 6.45 3.41 -1.26 -4.52 113.62 108.89 1s78 n SER 396 Ca 0.07 0.37 -0.35 0.00 -0.26 0.00 0.00 58.87 58.70 1s78 n SER 396 Cb 0.20 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.58 1s78 n SER 396 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1s78 s LEU 397 N -2.85 3.04 0.00 1.04 1.43 -0.71 -5.00 118.68 115.64 1s78 s LEU 397 Ca 0.07 -0.38 0.22 0.00 -1.03 0.00 0.00 54.13 53.00 1s78 s LEU 397 Cb 0.07 -1.78 0.89 0.00 0.03 0.00 0.00 46.19 45.40 1s78 s LEU 397 CO 0.17 -0.03 1.63 -0.81 0.23 0.00 0.00 176.35 177.54 1s78 n PRO 398 N 4.82 1.58 -3.85 1.29 -0.04 -1.26 -4.65 135.00 132.89 1s78 n PRO 398 Ca -0.18 -0.87 -0.09 0.00 -0.04 0.00 0.00 63.50 62.33 1s78 n PRO 398 Cb 0.51 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1s78 n PRO 398 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1s78 s ASP 399 N -1.65 0.01 -0.43 3.54 1.47 -1.26 -0.43 116.67 117.92 1s78 s ASP 399 Ca 0.33 -1.03 0.02 0.00 1.18 0.00 0.00 52.55 53.05 1s78 s ASP 399 Cb 0.17 0.79 0.52 0.00 -0.34 0.00 0.00 42.92 44.06 1s78 s ASP 399 CO 0.27 -1.55 1.84 0.18 0.68 0.00 0.00 175.17 176.60 1s78 n LEU 400 N -0.51 6.48 0.00 2.11 4.77 -0.09 -4.64 117.00 125.12 1s78 n LEU 400 Ca -0.06 -3.47 0.06 0.00 -0.03 0.00 0.00 56.01 52.51 1s78 n LEU 400 Cb 0.60 -0.84 0.38 0.00 -2.33 0.00 0.00 43.42 41.22 1s78 n LEU 400 CO 0.24 1.08 0.65 -1.54 -1.33 0.00 0.00 177.39 176.48 1s78 n SER 401 N -0.80 0.00 0.19 -1.43 3.41 -1.26 -0.92 113.62 112.81 1s78 n SER 401 Ca 0.51 -1.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.16 1s78 n SER 401 Cb 1.27 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 65.56 1s78 n SER 401 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1s78 h VAL 402 N 0.00 0.00 -0.06 -3.33 -1.51 -1.91 -2.53 116.25 106.91 1s78 h VAL 402 Ca 0.00 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 1s78 h VAL 402 Cb 0.00 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1s78 h VAL 402 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 1s78 n PHE 403 N -2.80 0.06 0.00 5.19 3.01 -0.10 -2.86 117.46 119.96 1s78 n PHE 403 Ca 0.04 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1s78 n PHE 403 Cb 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 1s78 n PHE 403 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1s78 n GLN 404 N 0.53 0.00 0.00 -1.08 7.27 -0.95 0.76 117.38 123.91 1s78 n GLN 404 Ca 0.17 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.29 1s78 n GLN 404 Cb 0.42 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.10 1s78 n GLN 404 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1s78 n ASN 405 N -0.14 1.66 -4.65 1.69 3.02 -1.26 -3.80 115.26 111.79 1s78 n ASN 405 Ca 0.00 -1.33 -0.43 0.00 -0.03 0.00 0.00 54.58 52.79 1s78 n ASN 405 Cb 0.00 0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1s78 n ASN 405 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1s78 n LEU 406 N 0.40 3.86 -0.10 3.41 7.94 0.23 -4.23 117.00 128.51 1s78 n LEU 406 Ca 0.05 0.76 -0.12 0.00 -1.11 0.00 0.00 56.01 55.59 1s78 n LEU 406 Cb 0.22 -1.51 -0.13 0.00 0.53 0.00 0.00 43.42 42.53 1s78 n LEU 406 CO 0.06 -0.03 -1.16 0.00 -1.11 0.00 0.00 177.39 175.16 1s78 n GLN 407 N 7.70 0.85 -3.90 1.96 6.02 0.22 -1.27 117.38 128.96 1s78 n GLN 407 Ca 0.23 0.04 -0.11 0.00 -0.01 0.00 0.00 57.00 57.15 1s78 n GLN 407 Cb 0.40 -1.47 -0.13 0.00 1.02 0.00 0.00 30.24 30.06 1s78 n GLN 407 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1s78 s VAL 408 N -2.46 0.04 -0.24 5.09 -7.23 -1.11 -0.31 120.40 114.19 1s78 s VAL 408 Ca -0.17 -0.31 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 1s78 s VAL 408 Cb 0.06 -0.14 0.05 0.00 0.56 0.00 0.00 36.38 36.92 1s78 s VAL 408 CO 0.68 -0.17 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.54 1s78 s ILE 409 N -0.51 2.14 0.22 -0.62 1.01 -0.60 -1.89 121.20 120.96 1s78 s ILE 409 Ca -0.06 -1.50 -0.02 0.00 0.00 0.00 0.00 60.65 59.07 1s78 s ILE 409 Cb -0.04 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1s78 s ILE 409 CO -0.00 0.07 1.60 0.03 0.00 0.00 0.00 174.94 176.64 1s78 h ARG 410 N 7.80 0.58 -0.34 2.79 3.08 -0.77 -0.30 114.38 127.22 1s78 h ARG 410 Ca -0.24 -0.29 -0.15 0.00 0.07 0.00 0.00 59.98 59.38 1s78 h ARG 410 Cb 1.06 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.05 1s78 h ARG 410 CO 0.49 0.87 -0.13 0.41 -1.07 0.00 0.00 179.97 180.54 1s78 n GLY 411 N -0.04 0.93 0.27 0.04 0.00 -0.34 -2.45 105.19 103.60 1s78 n GLY 411 Ca -0.02 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.42 1s78 n GLY 411 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1s78 h ARG 412 N 0.01 0.00 -6.20 1.61 3.08 -0.88 -3.37 114.38 108.64 1s78 h ARG 412 Ca -0.15 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.22 1s78 h ARG 412 Cb 0.47 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.26 1s78 h ARG 412 CO 0.21 0.07 -0.81 0.42 -1.07 0.00 0.00 179.97 178.79 1s78 s ILE 413 N -4.46 2.70 0.04 2.04 1.01 -1.24 -4.97 121.20 116.31 1s78 s ILE 413 Ca -0.04 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.84 1s78 s ILE 413 Cb 0.14 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1s78 s ILE 413 CO 0.58 0.58 -0.24 -0.76 0.00 0.00 0.00 174.94 175.10 1s78 s LEU 414 N -0.47 2.15 0.06 2.97 1.43 -1.26 -3.41 118.68 120.15 1s78 s LEU 414 Ca 0.06 -0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 52.31 1s78 s LEU 414 Cb -0.12 -1.15 -0.06 0.00 0.03 0.00 0.00 46.19 44.89 1s78 s LEU 414 CO 0.01 0.22 1.28 -2.28 0.23 0.00 0.00 176.35 175.82 1s78 s HIS 415 N -0.76 3.29 -1.05 0.29 5.65 -0.20 -1.61 115.29 120.90 1s78 s HIS 415 Ca 0.10 1.14 0.00 0.00 0.25 0.00 0.00 55.06 56.54 1s78 s HIS 415 Cb -0.09 -3.52 0.00 0.00 -1.18 0.00 0.00 32.58 27.78 1s78 s HIS 415 CO 0.02 -1.73 0.00 0.09 -0.65 0.00 0.00 174.74 172.46 1s78 n ASN 416 N 4.21 -3.58 0.00 9.88 3.02 -1.26 -1.41 115.26 126.11 1s78 n ASN 416 Ca 0.10 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1s78 n ASN 416 Cb 0.45 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 1s78 n ASN 416 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s78 n GLY 417 N -0.02 0.60 0.92 7.41 0.00 -0.64 -0.91 105.19 112.55 1s78 n GLY 417 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1s78 n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s78 n ALA 418 N 1.00 2.73 -2.85 4.61 0.00 -0.50 -4.47 120.51 121.03 1s78 n ALA 418 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1s78 n ALA 418 Cb 0.03 0.37 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 1s78 n ALA 418 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1s78 s TYR 419 N -1.93 3.19 -0.12 0.00 1.51 -0.62 -1.66 117.35 117.72 1s78 s TYR 419 Ca 0.00 -0.01 0.17 0.00 -1.01 0.00 0.00 57.07 56.22 1s78 s TYR 419 Cb 0.00 -2.01 -0.22 0.00 -0.11 0.00 0.00 41.96 39.62 1s78 s TYR 419 CO 0.00 0.15 0.49 -1.13 -1.11 0.00 0.00 175.55 173.96 1s78 n SER 420 N 3.33 0.48 -3.85 2.29 3.41 0.75 -1.03 113.62 119.00 1s78 n SER 420 Ca -0.17 0.22 -0.24 0.00 -0.26 0.00 0.00 58.87 58.42 1s78 n SER 420 Cb 0.52 0.58 -0.17 0.00 -0.26 0.00 0.00 64.21 64.88 1s78 n SER 420 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1s78 s LEU 421 N -5.62 0.95 -0.09 1.04 2.96 -1.13 -1.51 118.68 115.27 1s78 s LEU 421 Ca -0.06 -0.18 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1s78 s LEU 421 Cb 0.08 -0.61 0.02 0.00 0.50 0.00 0.00 46.19 46.18 1s78 s LEU 421 CO 0.83 -0.14 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.77 1s78 s THR 422 N 1.69 0.85 -0.27 3.68 2.01 -0.92 0.40 115.64 123.08 1s78 s THR 422 Ca 0.02 -0.21 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 1s78 s THR 422 Cb -0.13 -0.89 0.08 0.00 0.01 0.00 0.00 72.50 71.58 1s78 s THR 422 CO -0.05 0.33 0.04 -0.76 -0.69 0.00 0.00 174.62 173.49 1s78 s LEU 423 N 1.55 2.37 -0.01 4.42 1.43 -0.08 -0.84 118.68 127.52 1s78 s LEU 423 Ca 0.01 -1.40 0.02 0.00 -1.03 0.00 0.00 54.13 51.74 1s78 s LEU 423 Cb -0.13 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 1s78 s LEU 423 CO -0.05 -0.34 -0.08 0.00 0.23 0.00 0.00 176.35 176.11 1s78 s GLN 424 N 1.53 0.66 -0.75 1.70 -2.07 -0.82 -1.85 119.66 118.06 1s78 s GLN 424 Ca 0.03 -0.29 -0.03 0.00 -1.82 0.00 0.00 55.36 53.25 1s78 s GLN 424 Cb -0.18 -0.63 0.00 0.00 -1.09 0.00 0.00 33.01 31.11 1s78 s GLN 424 CO -0.15 0.17 0.45 0.41 -1.32 0.00 0.00 175.29 174.85 1s78 n GLY 425 N 2.89 0.12 0.23 2.60 0.00 -1.03 -4.32 105.19 105.68 1s78 n GLY 425 Ca -0.13 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 1s78 n GLY 425 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s78 n LEU 426 N -2.48 1.76 -0.30 0.99 4.77 -1.25 -4.84 117.00 115.65 1s78 n LEU 426 Ca -0.03 0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 56.22 1s78 n LEU 426 Cb 0.55 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1s78 n LEU 426 CO 0.28 0.46 -0.04 0.61 -1.33 0.00 0.00 177.39 177.38 1s78 n GLY 427 N 1.45 0.67 3.64 -0.72 0.00 -1.26 -4.85 105.19 104.11 1s78 n GLY 427 Ca -0.47 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 1s78 n GLY 427 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1s78 n ILE 428 N -2.76 0.38 0.04 -0.61 -5.35 -1.26 -4.73 119.36 105.07 1s78 n ILE 428 Ca -0.04 -0.07 0.07 0.00 -0.27 0.00 0.00 62.75 62.44 1s78 n ILE 428 Cb 0.19 -0.98 -0.11 0.00 -1.74 0.00 0.00 39.64 37.01 1s78 n ILE 428 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1s78 n SER 429 N -3.64 1.74 -3.90 7.28 7.64 0.42 -2.18 113.62 120.98 1s78 n SER 429 Ca 0.12 -0.06 -0.08 0.00 1.01 0.00 0.00 58.87 59.86 1s78 n SER 429 Cb 0.52 1.59 -0.03 0.00 -1.01 0.00 0.00 64.21 65.28 1s78 n SER 429 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 1s78 s TRP 430 N -2.92 0.06 -0.12 1.43 -2.14 -1.15 -0.68 118.94 113.42 1s78 s TRP 430 Ca -0.04 -0.48 -0.27 0.00 2.66 0.00 0.00 56.10 57.98 1s78 s TRP 430 Cb 0.09 0.49 -0.27 0.00 -3.10 0.00 0.00 33.47 30.68 1s78 s TRP 430 CO 0.58 -1.14 0.77 -0.07 -2.66 0.00 0.00 176.95 174.42 1s78 h LEU 431 N 2.11 0.13 0.00 -4.66 3.38 -1.70 -3.37 115.31 111.19 1s78 h LEU 431 Ca -0.22 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 56.79 1s78 h LEU 431 Cb 1.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1s78 h LEU 431 CO 0.29 1.14 0.00 0.61 0.09 0.00 0.00 178.44 180.56 1s78 n GLY 432 N 1.62 0.53 3.02 0.83 0.00 -0.11 -0.91 105.19 110.17 1s78 n GLY 432 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1s78 n GLY 432 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s78 n LEU 433 N 0.00 4.59 0.00 0.99 4.77 -1.26 -4.44 117.00 121.65 1s78 n LEU 433 Ca 0.00 -3.10 0.11 0.00 -0.03 0.00 0.00 56.01 52.99 1s78 n LEU 433 Cb 0.01 -1.20 0.66 0.00 -2.33 0.00 0.00 43.42 40.56 1s78 n LEU 433 CO 0.00 -0.08 0.86 -2.11 -1.33 0.00 0.00 177.39 174.73 1s78 n ARG 434 N 6.75 0.77 0.00 3.23 1.85 -1.26 -2.78 116.66 125.22 1s78 n ARG 434 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.35 1s78 n ARG 434 Cb 0.39 -1.45 -0.00 0.00 -1.05 0.00 0.00 32.46 30.35 1s78 n ARG 434 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1s78 n SER 435 N -0.95 0.07 -4.58 2.89 7.64 -1.25 -4.85 113.62 112.59 1s78 n SER 435 Ca 0.17 -0.54 -0.41 0.00 1.01 0.00 0.00 58.87 59.10 1s78 n SER 435 Cb 0.08 0.96 -0.03 0.00 -1.01 0.00 0.00 64.21 64.21 1s78 n SER 435 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1s78 s LEU 436 N -1.96 3.44 -0.04 -3.43 2.96 -0.40 -4.16 118.68 115.09 1s78 s LEU 436 Ca 0.00 1.20 0.14 0.00 -0.22 0.00 0.00 54.13 55.26 1s78 s LEU 436 Cb 0.01 -3.18 -0.22 0.00 0.50 0.00 0.00 46.19 43.30 1s78 s LEU 436 CO 0.03 -2.05 0.27 -2.11 -1.32 0.00 0.00 176.35 171.16 1s78 n ARG 437 N 8.72 0.71 -3.70 1.98 1.85 0.58 -5.00 116.66 121.81 1s78 n ARG 437 Ca 0.26 -0.11 -0.15 0.00 -1.00 0.00 0.00 57.85 56.85 1s78 n ARG 437 Cb 0.49 -1.35 -0.15 0.00 -1.05 0.00 0.00 32.46 30.40 1s78 n ARG 437 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1s78 s GLU 438 N -2.88 0.08 -0.52 2.89 2.12 -0.97 -4.27 118.70 115.15 1s78 s GLU 438 Ca -0.06 0.52 -0.16 0.00 0.36 0.00 0.00 54.97 55.63 1s78 s GLU 438 Cb 0.08 -0.20 0.11 0.00 0.26 0.00 0.00 34.13 34.38 1s78 s GLU 438 CO 0.60 -0.25 0.49 -0.51 -0.54 0.00 0.00 175.26 175.05 1s78 s LEU 439 N 1.85 5.90 0.32 2.70 1.43 -0.25 -1.55 118.68 129.08 1s78 s LEU 439 Ca -0.02 -1.58 0.04 0.00 -1.03 0.00 0.00 54.13 51.54 1s78 s LEU 439 Cb -0.12 -2.22 0.66 0.00 0.03 0.00 0.00 46.19 44.54 1s78 s LEU 439 CO -0.06 -0.82 1.87 1.23 0.23 0.00 0.00 176.35 178.80 1s78 h GLY 440 N 8.98 1.36 -2.37 -3.19 0.00 -1.10 -3.36 103.07 103.39 1s78 h GLY 440 Ca -0.29 -0.37 0.12 0.00 0.00 0.00 0.00 47.33 46.78 1s78 h GLY 440 CO 0.99 0.17 0.37 -1.35 0.00 0.00 0.00 176.54 176.73 1s78 s SER 441 N -5.83 -0.26 0.09 0.19 1.04 -1.03 -4.58 113.70 103.32 1s78 s SER 441 Ca -0.11 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1s78 s SER 441 Cb 0.21 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1s78 s SER 441 CO 0.80 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1s78 n GLY 442 N -0.44 -2.36 3.90 7.32 0.00 -1.26 -4.50 105.19 107.85 1s78 n GLY 442 Ca -0.07 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 1s78 n GLY 442 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s78 s LEU 443 N -4.98 3.84 -0.20 0.99 1.43 -0.66 -4.53 118.68 114.58 1s78 s LEU 443 Ca 0.00 0.84 -0.10 0.00 -1.03 0.00 0.00 54.13 53.85 1s78 s LEU 443 Cb 0.00 -3.73 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 1s78 s LEU 443 CO 0.00 -0.40 0.12 0.00 0.23 0.00 0.00 176.35 176.31 1s78 s ALA 444 N -2.42 3.63 -0.23 4.21 0.00 -0.65 -0.18 121.76 126.11 1s78 s ALA 444 Ca 0.46 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1s78 s ALA 444 Cb -0.10 -2.16 0.05 0.00 0.00 0.00 0.00 23.12 20.90 1s78 s ALA 444 CO 0.37 0.10 -0.14 -1.17 0.00 0.00 0.00 175.76 174.91 1s78 s LEU 445 N 0.49 3.00 -0.41 0.00 2.96 0.16 -0.40 118.68 124.48 1s78 s LEU 445 Ca 0.07 -1.14 0.03 0.00 -0.22 0.00 0.00 54.13 52.88 1s78 s LEU 445 Cb -0.12 -1.53 0.12 0.00 0.50 0.00 0.00 46.19 45.16 1s78 s LEU 445 CO -0.01 -0.13 0.16 -0.63 -1.32 0.00 0.00 176.35 174.43 1s78 s ILE 446 N 1.17 2.08 0.09 6.68 1.01 -0.61 -0.91 121.20 130.71 1s78 s ILE 446 Ca -0.04 -2.60 0.05 0.00 0.00 0.00 0.00 60.65 58.06 1s78 s ILE 446 Cb -0.18 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 1s78 s ILE 446 CO -0.08 -0.72 -0.12 -1.38 0.00 0.00 0.00 174.94 172.64 1s78 s HIS 447 N 0.50 1.14 -1.67 3.97 -3.43 -0.77 -3.28 115.29 111.75 1s78 s HIS 447 Ca 0.14 -0.54 -0.01 0.00 -0.80 0.00 0.00 55.06 53.84 1s78 s HIS 447 Cb -0.22 -0.63 0.00 0.00 -1.43 0.00 0.00 32.58 30.30 1s78 s HIS 447 CO -0.06 0.04 0.18 0.72 -2.00 0.00 0.00 174.74 173.61 1s78 n HIS 448 N 0.93 -1.24 -3.32 0.38 8.25 -0.71 -2.69 115.22 116.83 1s78 n HIS 448 Ca -0.19 0.15 -0.45 0.00 -0.26 0.00 0.00 57.72 56.98 1s78 n HIS 448 Cb 0.56 -4.04 -0.06 0.00 1.12 0.00 0.00 29.99 27.57 1s78 n HIS 448 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1s78 s ASN 449 N -2.27 6.17 0.33 0.41 0.01 -1.23 -2.46 114.94 115.90 1s78 s ASN 449 Ca 0.09 -1.44 0.09 0.00 -0.71 0.00 0.00 52.86 50.89 1s78 s ASN 449 Cb -0.04 -2.21 0.59 0.00 0.41 0.00 0.00 41.25 40.00 1s78 s ASN 449 CO 0.11 -0.78 1.78 0.74 -1.51 0.00 0.00 177.10 177.43 1s78 h THR 450 N 5.82 1.27 -0.02 1.60 2.02 -1.87 -2.85 112.91 118.89 1s78 h THR 450 Ca -0.29 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 65.57 1s78 h THR 450 Cb 1.10 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1s78 h THR 450 CO 0.96 0.39 -0.25 1.41 0.37 0.00 0.00 175.52 178.39 1s78 n HIS 451 N -4.09 0.00 -1.77 3.16 8.25 -1.26 -3.59 115.22 115.92 1s78 n HIS 451 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1s78 n HIS 451 Cb 0.42 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 1s78 n HIS 451 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1s78 s LEU 452 N -1.98 4.25 0.00 2.41 2.96 -0.93 -4.42 118.68 120.97 1s78 s LEU 452 Ca 0.17 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.49 1s78 s LEU 452 Cb 0.15 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.31 1s78 s LEU 452 CO 0.38 -1.15 0.00 0.00 -1.32 0.00 0.00 176.35 174.26 1s78 n PHE 454 N -0.07 -2.37 -0.12 0.00 3.01 -1.26 -4.30 117.46 112.35 1s78 n PHE 454 Ca 0.00 0.92 -0.23 0.00 1.01 0.00 0.00 57.45 59.15 1s78 n PHE 454 Cb 0.00 -4.19 -0.10 0.00 -0.01 0.00 0.00 39.48 35.18 1s78 n PHE 454 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1s78 n VAL 455 N -4.70 1.36 0.44 -4.37 0.31 -1.26 -4.25 118.33 105.85 1s78 n VAL 455 Ca 0.01 -0.40 0.08 0.00 -0.01 0.00 0.00 64.34 64.01 1s78 n VAL 455 Cb 0.54 -1.66 0.34 0.00 -0.91 0.00 0.00 33.84 32.16 1s78 n VAL 455 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1s78 n HIS 456 N -3.79 0.21 0.21 3.52 -0.00 -1.26 -2.05 115.22 112.06 1s78 n HIS 456 Ca -0.46 0.08 0.12 0.00 -0.00 0.00 0.00 57.72 57.46 1s78 n HIS 456 Cb 0.88 -0.63 0.10 0.00 -0.00 0.00 0.00 29.99 30.33 1s78 n HIS 456 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1s78 h THR 457 N 0.00 0.00 -3.39 3.57 1.35 -1.82 -3.45 112.91 109.17 1s78 h THR 457 Ca 0.00 -0.93 -0.53 0.00 -0.55 0.00 0.00 66.41 64.40 1s78 h THR 457 Cb 0.26 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1s78 h THR 457 CO 0.00 0.00 0.49 -0.69 -0.25 0.00 0.00 175.52 175.07 1s78 s VAL 458 N -3.28 4.12 -1.34 6.82 1.01 -0.87 -2.62 120.40 124.25 1s78 s VAL 458 Ca 0.03 1.65 -0.09 0.00 0.00 0.00 0.00 61.98 63.57 1s78 s VAL 458 Cb 0.08 -4.05 0.12 0.00 0.00 0.00 0.00 36.38 32.53 1s78 s VAL 458 CO 0.73 0.20 2.17 -0.81 0.00 0.00 0.00 175.10 177.39 1s78 n PRO 459 N 3.25 3.88 -0.35 2.72 -0.04 -1.26 -4.81 135.00 138.39 1s78 n PRO 459 Ca 0.06 -3.31 0.24 0.00 -0.04 0.00 0.00 63.50 60.45 1s78 n PRO 459 Cb 0.47 -2.85 0.49 0.00 -0.04 0.00 0.00 33.50 31.57 1s78 n PRO 459 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1s78 h TRP 460 N 5.32 0.85 -0.74 0.54 4.06 -1.93 0.75 115.95 124.80 1s78 h TRP 460 Ca 0.55 0.03 0.30 0.00 2.06 0.00 0.00 58.89 61.83 1s78 h TRP 460 Cb 0.49 -0.23 -0.12 0.00 -1.00 0.00 0.00 29.16 28.30 1s78 h TRP 460 CO 1.44 -0.09 0.42 -3.47 -3.56 0.00 0.00 178.44 173.18 1s78 n ASP 461 N -4.90 0.22 0.06 -3.49 -0.08 -1.26 -0.77 116.55 106.32 1s78 n ASP 461 Ca 0.30 1.09 0.11 0.00 -1.51 0.00 0.00 54.79 54.79 1s78 n ASP 461 Cb 0.98 -0.53 0.04 0.00 2.34 0.00 0.00 41.12 43.94 1s78 n ASP 461 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1s78 n GLN 462 N -4.43 0.42 0.05 -0.67 6.02 0.26 -4.03 117.38 115.01 1s78 n GLN 462 Ca 0.26 0.04 -0.06 0.00 -0.01 0.00 0.00 57.00 57.24 1s78 n GLN 462 Cb 0.93 -1.69 -0.11 0.00 1.02 0.00 0.00 30.24 30.39 1s78 n GLN 462 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1s78 h LEU 463 N 0.00 0.00-10.52 1.08 4.07 -1.03 -3.46 115.31 105.44 1s78 h LEU 463 Ca 0.00 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.51 1s78 h LEU 463 Cb 0.84 0.00 0.14 0.00 1.08 0.00 0.00 40.66 42.73 1s78 h LEU 463 CO 0.00 0.95 0.29 -0.36 -1.08 0.00 0.00 178.44 178.24 1s78 s PHE 464 N -2.72 2.08 0.00 1.13 2.99 -1.16 -1.09 117.98 119.22 1s78 s PHE 464 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 56.93 57.66 1s78 s PHE 464 Cb 0.09 -3.50 0.00 0.00 0.00 0.00 0.00 43.02 39.62 1s78 s PHE 464 CO 0.81 -2.64 0.07 0.54 -0.00 0.00 0.00 175.22 174.01 1s78 n ARG 465 N -3.92 0.00 -3.60 0.44 5.12 -1.26 -4.86 116.66 108.58 1s78 n ARG 465 Ca 0.09 -0.07 -0.15 0.00 -1.93 0.00 0.00 57.85 55.78 1s78 n ARG 465 Cb 0.59 -0.43 -0.06 0.00 -1.16 0.00 0.00 32.46 31.40 1s78 n ARG 465 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1s78 s ASN 466 N 0.00 -0.47 0.45 0.55 2.20 -1.26 -5.06 114.94 111.35 1s78 s ASN 466 Ca 0.00 0.37 0.31 0.00 -0.94 0.00 0.00 52.86 52.60 1s78 s ASN 466 Cb 0.00 0.47 1.62 0.00 -2.00 0.00 0.00 41.25 41.33 1s78 s ASN 466 CO 0.00 -0.61 1.93 1.55 -2.94 0.00 0.00 177.10 177.04 1s78 h PRO 467 N 3.14 0.00 -0.01 3.55 0.13 -1.99 -1.70 132.00 135.13 1s78 h PRO 467 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1s78 h PRO 467 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1s78 h PRO 467 CO 0.40 0.00 -0.07 0.72 -0.23 0.00 0.00 178.00 178.82 1s78 n HIS 468 N -2.59 0.00 -3.04 1.56 8.25 -1.26 -4.90 115.22 113.24 1s78 n HIS 468 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.15 1s78 n HIS 468 Cb 0.08 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 1s78 n HIS 468 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1s78 s GLN 469 N -2.24 3.70 -0.04 -0.41 -0.21 -0.64 -4.43 119.66 115.38 1s78 s GLN 469 Ca 0.35 0.26 -0.30 0.00 0.02 0.00 0.00 55.36 55.69 1s78 s GLN 469 Cb 0.21 -2.49 0.11 0.00 1.00 0.00 0.00 33.01 31.83 1s78 s GLN 469 CO 0.42 0.05 0.93 0.00 -2.12 0.00 0.00 175.29 174.57 1s78 s ALA 470 N -2.28 -1.86 -0.36 6.09 0.00 -1.26 -5.03 121.76 117.06 1s78 s ALA 470 Ca 0.48 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 53.42 1s78 s ALA 470 Cb -0.10 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 1s78 s ALA 470 CO 0.32 -0.64 0.36 -1.17 0.00 0.00 0.00 175.76 174.62 1s78 s LEU 471 N -2.31 4.58 -0.12 0.00 1.98 -1.26 -1.64 118.68 119.90 1s78 s LEU 471 Ca 0.05 -0.38 -0.11 0.00 -2.89 0.00 0.00 54.13 50.80 1s78 s LEU 471 Cb -0.01 -2.31 -0.05 0.00 0.66 0.00 0.00 46.19 44.48 1s78 s LEU 471 CO -0.07 -0.38 0.22 -0.76 -1.89 0.00 0.00 176.35 173.47 1s78 s LEU 472 N 1.98 4.33 -0.27 -0.68 1.43 0.46 -4.99 118.68 120.95 1s78 s LEU 472 Ca 0.11 0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 53.52 1s78 s LEU 472 Cb -0.17 -2.23 0.07 0.00 0.03 0.00 0.00 46.19 43.89 1s78 s LEU 472 CO 0.12 0.28 0.68 -1.38 0.23 0.00 0.00 176.35 176.28 1s78 s HIS 473 N -0.41 -0.91 0.20 0.29 -3.43 -1.26 -1.57 115.29 108.19 1s78 s HIS 473 Ca 0.15 1.98 -0.15 0.00 -0.80 0.00 0.00 55.06 56.25 1s78 s HIS 473 Cb -0.13 0.45 0.01 0.00 -1.43 0.00 0.00 32.58 31.48 1s78 s HIS 473 CO 0.04 -0.45 0.46 -0.08 -2.00 0.00 0.00 174.74 172.71 1s78 s THR 474 N 1.03 0.03 -1.70 -5.38 -1.32 -1.21 -4.98 115.64 102.12 1s78 s THR 474 Ca -0.05 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 1s78 s THR 474 Cb -0.05 -1.74 0.00 0.00 -1.51 0.00 0.00 72.50 69.20 1s78 s THR 474 CO -0.10 -0.15 0.00 0.00 -2.21 0.00 0.00 174.62 172.16 1s78 n ALA 475 N -0.31 -0.59 -2.70 11.08 0.00 -1.26 -1.73 120.51 124.99 1s78 n ALA 475 Ca -0.08 0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 1s78 n ALA 475 Cb 0.62 -2.02 0.02 0.00 0.00 0.00 0.00 19.45 18.07 1s78 n ALA 475 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s78 n ASN 476 N -1.83 0.42 -4.67 0.00 3.02 -1.26 -3.14 115.26 107.79 1s78 n ASN 476 Ca -0.22 -1.32 -0.43 0.00 -0.03 0.00 0.00 54.58 52.59 1s78 n ASN 476 Cb 0.66 -0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 1s78 n ASN 476 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1s78 s ARG 477 N -2.80 4.29 0.25 3.52 3.52 -1.16 -4.90 118.95 121.66 1s78 s ARG 477 Ca 0.15 1.71 -0.31 0.00 -0.13 0.00 0.00 55.73 57.15 1s78 s ARG 477 Cb -0.01 -3.66 -0.13 0.00 -1.56 0.00 0.00 34.95 29.58 1s78 s ARG 477 CO 0.10 -0.59 1.44 -2.30 -0.81 0.00 0.00 175.30 173.14 1s78 n PRO 478 N 5.90 2.15 -0.24 5.12 -0.02 -1.26 -4.79 135.00 141.86 1s78 n PRO 478 Ca 0.13 0.77 -0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1s78 n PRO 478 Cb 0.45 -2.45 0.12 0.00 -0.02 0.00 0.00 33.50 31.60 1s78 n PRO 478 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1s78 h GLU 479 N 4.34 0.62 -0.57 -0.52 4.22 -1.94 -1.07 114.58 119.67 1s78 h GLU 479 Ca -0.45 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 58.99 1s78 h GLU 479 Cb 1.27 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1s78 h GLU 479 CO 0.77 0.41 0.38 0.38 -2.18 0.00 0.00 179.01 178.76 1s78 h ASP 480 N 0.64 0.54 -0.28 1.04 2.03 -2.00 0.63 116.42 119.02 1s78 h ASP 480 Ca 0.33 -0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.56 1s78 h ASP 480 Cb 0.28 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.64 1s78 h ASP 480 CO -0.23 0.37 -0.02 -0.08 -1.03 0.00 0.00 179.24 178.25 1s78 h GLU 481 N 0.62 0.63 0.21 4.15 4.81 -1.56 -1.47 114.58 121.97 1s78 h GLU 481 Ca 0.23 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1s78 h GLU 481 Cb 0.14 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1s78 h GLU 481 CO -0.06 0.66 -0.10 0.00 -0.73 0.00 0.00 179.01 178.78 1s78 h VAL 483 N -0.75 1.16 0.00 0.00 -1.51 -1.30 -1.48 116.25 112.37 1s78 h VAL 483 Ca -0.03 -0.38 -0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1s78 h VAL 483 Cb 0.50 -0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.62 1s78 h VAL 483 CO 0.05 0.20 -0.00 1.23 -1.23 0.00 0.00 177.57 177.82 1s78 h GLY 484 N 1.11 0.00 -1.46 5.19 0.00 -1.25 0.59 103.07 107.25 1s78 h GLY 484 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1s78 h GLY 484 CO -0.10 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.23 1s78 n GLU 485 N -3.19 1.93 -2.55 4.80 2.13 -0.57 -4.95 120.64 118.24 1s78 n GLU 485 Ca -0.03 -1.44 -0.08 0.00 0.66 0.00 0.00 57.16 56.26 1s78 n GLU 485 Cb 0.09 -1.32 0.04 0.00 0.27 0.00 0.00 31.44 30.52 1s78 n GLU 485 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s78 n GLY 486 N 1.15 -0.13 3.08 8.31 0.00 0.21 -5.06 105.19 112.74 1s78 n GLY 486 Ca 0.14 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1s78 n GLY 486 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s78 s LEU 487 N -4.31 1.82 0.10 0.99 1.43 -1.18 -5.03 118.68 112.51 1s78 s LEU 487 Ca 0.16 -0.31 -0.26 0.00 -1.03 0.00 0.00 54.13 52.70 1s78 s LEU 487 Cb -0.02 -0.85 0.08 0.00 0.03 0.00 0.00 46.19 45.42 1s78 s LEU 487 CO 0.40 0.10 0.84 0.00 0.23 0.00 0.00 176.35 177.92 1s78 s ALA 488 N 0.24 -1.67 0.57 4.21 0.00 -1.26 -4.36 121.76 119.50 1s78 s ALA 488 Ca -0.07 0.50 -0.19 0.00 0.00 0.00 0.00 51.96 52.20 1s78 s ALA 488 Cb -0.12 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1s78 s ALA 488 CO 0.02 -0.85 1.18 0.00 0.00 0.00 0.00 175.76 176.11 1s78 s HIS 490 N -1.64 3.36 0.25 0.00 2.46 -1.26 -4.89 115.29 113.56 1s78 s HIS 490 Ca 0.76 1.53 0.08 0.00 0.47 0.00 0.00 55.06 57.90 1s78 s HIS 490 Cb -0.28 -3.46 0.77 0.00 -0.13 0.00 0.00 32.58 29.48 1s78 s HIS 490 CO 0.31 -1.17 1.15 1.04 -2.47 0.00 0.00 174.74 173.60 1s78 n GLN 491 N 1.32 -0.05 0.00 2.88 1.13 -1.26 -0.74 117.38 120.66 1s78 n GLN 491 Ca 0.00 1.05 0.11 0.00 -1.94 0.00 0.00 57.00 56.22 1s78 n GLN 491 Cb 0.44 -1.77 0.55 0.00 0.11 0.00 0.00 30.24 29.57 1s78 n GLN 491 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1s78 n LEU 492 N -4.83 0.00 -4.66 1.08 4.32 -1.26 -4.74 117.00 106.91 1s78 n LEU 492 Ca 0.22 0.28 -0.40 0.00 -0.02 0.00 0.00 56.01 56.10 1s78 n LEU 492 Cb 0.75 -0.28 -0.06 0.00 -1.62 0.00 0.00 43.42 42.21 1s78 n LEU 492 CO -0.02 -0.08 0.31 0.00 -1.22 0.00 0.00 177.39 176.38 1s78 s ALA 494 N 1.73 2.45 -0.29 0.00 0.00 -1.01 -2.77 121.76 121.87 1s78 s ALA 494 Ca 0.27 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1s78 s ALA 494 Cb -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1s78 s ALA 494 CO 0.10 -1.42 0.00 0.54 0.00 0.00 0.00 175.76 174.98 1s78 n ARG 495 N -2.99 -1.25 -3.92 0.00 1.74 -1.26 -1.63 116.66 107.35 1s78 n ARG 495 Ca 0.09 0.16 -0.25 0.00 -0.77 0.00 0.00 57.85 57.08 1s78 n ARG 495 Cb 0.53 -4.26 -0.01 0.00 -1.02 0.00 0.00 32.46 27.70 1s78 n ARG 495 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s78 n GLY 496 N -0.11 -0.26 3.34 -0.13 0.00 -1.12 -4.98 105.19 101.94 1s78 n GLY 496 Ca -0.03 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1s78 n GLY 496 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s78 s HIS 497 N -3.84 2.90 0.24 1.61 3.76 -0.65 -4.91 115.29 114.39 1s78 s HIS 497 Ca 0.07 -0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 54.04 1s78 s HIS 497 Cb -0.04 -1.99 -0.00 0.00 1.11 0.00 0.00 32.58 31.66 1s78 s HIS 497 CO 0.87 -0.39 0.47 0.00 -0.85 0.00 0.00 174.74 174.84 1s78 n TRP 499 N -0.36 0.26 -0.39 0.00 7.02 0.30 -3.40 117.44 120.86 1s78 n TRP 499 Ca -0.03 -0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.16 1s78 n TRP 499 Cb 0.62 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.49 1s78 n TRP 499 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1s78 n GLY 500 N 0.55 -2.56 3.77 6.99 0.00 -1.26 -0.93 105.19 111.74 1s78 n GLY 500 Ca 0.09 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 1s78 n GLY 500 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s78 s PRO 501 N -1.97 3.54 0.00 1.61 0.04 -1.26 -4.75 135.00 132.21 1s78 s PRO 501 Ca 0.00 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1s78 s PRO 501 Cb 0.00 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1s78 s PRO 501 CO 0.00 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1s78 n GLY 502 N 0.40 1.93 0.07 0.56 0.00 -1.26 -4.49 105.19 102.40 1s78 n GLY 502 Ca 0.09 -1.94 0.11 0.00 0.00 0.00 0.00 46.02 44.28 1s78 n GLY 502 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s78 n PRO 503 N 1.87 0.13 0.15 1.61 -0.04 -1.26 -3.11 135.00 134.34 1s78 n PRO 503 Ca 0.00 0.29 0.01 0.00 -0.04 0.00 0.00 63.50 63.76 1s78 n PRO 503 Cb 0.00 -1.71 0.18 0.00 -0.04 0.00 0.00 33.50 31.93 1s78 n PRO 503 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1s78 h THR 504 N 0.00 1.20 -0.51 0.52 1.35 -1.84 -2.56 112.91 111.07 1s78 h THR 504 Ca 0.00 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 63.79 1s78 h THR 504 Cb 0.42 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1s78 h THR 504 CO 0.00 0.55 0.00 0.00 -0.25 0.00 0.00 175.52 175.82 1s78 n GLN 505 N -3.58 2.91 -2.19 4.72 1.13 -1.18 -4.85 117.38 114.34 1s78 n GLN 505 Ca -0.00 -2.14 -0.38 0.00 -1.94 0.00 0.00 57.00 52.54 1s78 n GLN 505 Cb 0.63 -1.68 -0.01 0.00 0.11 0.00 0.00 30.24 29.29 1s78 n GLN 505 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s78 h VAL 507 N 2.19 1.32 -2.76 0.00 2.07 -1.70 -3.43 116.25 113.95 1s78 h VAL 507 Ca -0.49 -1.88 -0.32 0.00 0.82 0.00 0.00 66.70 64.83 1s78 h VAL 507 Cb 1.25 2.07 -0.36 0.00 -1.52 0.00 0.00 31.29 32.73 1s78 h VAL 507 CO 0.62 0.58 -0.63 0.20 0.02 0.00 0.00 177.57 178.35 1s78 s ASN 508 N -6.88 1.23 -0.13 0.57 0.01 -1.26 -5.06 114.94 103.42 1s78 s ASN 508 Ca -0.12 -0.05 -0.29 0.00 -0.71 0.00 0.00 52.86 51.69 1s78 s ASN 508 Cb 0.07 0.31 -0.01 0.00 0.41 0.00 0.00 41.25 42.03 1s78 s ASN 508 CO 0.86 -0.30 1.08 0.00 -1.51 0.00 0.00 177.10 177.24 1s78 h SER 510 N 7.38 0.00 0.00 0.00 4.64 -1.55 -3.44 113.55 120.58 1s78 h SER 510 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1s78 h SER 510 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1s78 h SER 510 CO 0.90 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.88 1s78 n GLN 511 N -3.12 0.00 -4.37 4.77 1.13 -1.26 -5.02 117.38 109.50 1s78 n GLN 511 Ca 0.00 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.78 1s78 n GLN 511 Cb 0.31 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.54 1s78 n GLN 511 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1s78 s PHE 512 N 1.75 2.38 -0.19 1.08 2.99 -0.93 -4.93 117.98 120.13 1s78 s PHE 512 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 56.93 56.47 1s78 s PHE 512 Cb 0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 43.02 41.73 1s78 s PHE 512 CO 0.00 0.40 0.23 -0.51 -0.00 0.00 0.00 175.22 175.34 1s78 s LEU 513 N -2.27 4.21 -0.24 -0.37 1.43 0.24 -0.66 118.68 121.01 1s78 s LEU 513 Ca 0.17 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 1s78 s LEU 513 Cb -0.10 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.91 1s78 s LEU 513 CO 0.08 0.11 -0.11 -0.60 0.23 0.00 0.00 176.35 176.07 1s78 s ARG 514 N 0.57 2.57 7.26 1.70 3.52 -0.41 0.21 118.95 134.37 1s78 s ARG 514 Ca 0.13 -1.14 0.00 0.00 -0.13 0.00 0.00 55.73 54.59 1s78 s ARG 514 Cb -0.12 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 1s78 s ARG 514 CO 0.02 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.47 1s78 n GLY 515 N 4.55 3.09 0.01 8.12 0.00 -1.26 -1.04 105.19 118.66 1s78 n GLY 515 Ca -0.16 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1s78 n GLY 515 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s78 n GLN 516 N 8.64 2.62 -3.47 1.61 1.13 -1.26 -4.99 117.38 121.65 1s78 n GLN 516 Ca 0.00 -1.66 -0.37 0.00 -1.94 0.00 0.00 57.00 53.03 1s78 n GLN 516 Cb 0.00 -1.07 -0.08 0.00 0.11 0.00 0.00 30.24 29.20 1s78 n GLN 516 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1s78 s GLU 517 N -1.29 4.19 -0.35 -1.09 2.12 -0.21 -4.44 118.70 117.63 1s78 s GLU 517 Ca 0.05 0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.20 1s78 s GLU 517 Cb 0.05 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 1s78 s GLU 517 CO 0.01 0.06 1.67 0.00 -0.54 0.00 0.00 175.26 176.46 1s78 s VAL 519 N 6.34 4.91 0.02 0.00 -7.23 0.16 -4.86 120.40 119.73 1s78 s VAL 519 Ca 0.74 -0.74 -0.21 0.00 -1.81 0.00 0.00 61.98 59.96 1s78 s VAL 519 Cb -0.20 -3.45 -0.18 0.00 0.56 0.00 0.00 36.38 33.12 1s78 s VAL 519 CO 0.33 0.02 1.23 -0.08 -0.31 0.00 0.00 175.10 176.29 1s78 h GLU 520 N 2.74 0.34 -4.22 4.82 4.57 -1.95 -2.46 114.58 118.42 1s78 h GLU 520 Ca -0.47 -0.24 -0.33 0.00 -1.18 0.00 0.00 59.36 57.14 1s78 h GLU 520 Cb 1.18 0.04 -0.29 0.00 -0.16 0.00 0.00 28.75 29.51 1s78 h GLU 520 CO 0.68 0.85 -0.75 -1.21 -1.18 0.00 0.00 179.01 177.40 1s78 s GLU 521 N -3.85 0.43 1.07 1.92 2.02 -1.26 -4.53 118.70 114.51 1s78 s GLU 521 Ca -0.14 -0.15 -0.17 0.00 0.02 0.00 0.00 54.97 54.52 1s78 s GLU 521 Cb 0.04 -0.44 0.24 0.00 0.10 0.00 0.00 34.13 34.07 1s78 s GLU 521 CO 0.77 0.07 1.21 0.00 0.02 0.00 0.00 175.26 177.33 1s78 n ARG 523 N -4.24 2.60 -0.03 0.00 1.74 -1.26 -4.72 116.66 110.75 1s78 n ARG 523 Ca 0.14 -3.07 -0.14 0.00 -0.77 0.00 0.00 57.85 54.01 1s78 n ARG 523 Cb 0.59 -2.21 -0.11 0.00 -1.02 0.00 0.00 32.46 29.72 1s78 n ARG 523 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1s78 h VAL 524 N 1.88 1.50 0.00 1.55 2.07 -1.93 -0.86 116.25 120.47 1s78 h VAL 524 Ca 0.51 -1.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 1s78 h VAL 524 Cb 0.33 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1s78 h VAL 524 CO 1.25 0.42 -1.38 0.18 0.02 0.00 0.00 177.57 178.06 1s78 n LEU 525 N -4.71 0.00 -3.57 2.57 4.32 -1.26 -4.32 117.00 110.03 1s78 n LEU 525 Ca -0.09 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.64 1s78 n LEU 525 Cb 0.36 0.12 -0.16 0.00 -1.62 0.00 0.00 43.42 42.12 1s78 n LEU 525 CO 0.35 0.12 -0.32 0.00 -1.22 0.00 0.00 177.39 176.32 1s78 s GLN 526 N -2.18 0.13 0.00 3.23 -2.07 -1.26 -4.49 119.66 113.01 1s78 s GLN 526 Ca -0.03 -0.24 0.00 0.00 -1.82 0.00 0.00 55.36 53.27 1s78 s GLN 526 Cb 0.02 -1.50 0.00 0.00 -1.09 0.00 0.00 33.01 30.44 1s78 s GLN 526 CO 0.24 -0.82 0.00 0.41 -1.32 0.00 0.00 175.29 173.80 1s78 n GLY 527 N 5.27 1.95 0.11 2.60 0.00 -1.26 -4.82 105.19 109.03 1s78 n GLY 527 Ca -0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 1s78 n GLY 527 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s78 h LEU 528 N 0.00 -0.29 -8.44 0.99 4.07 -2.00 -3.27 115.31 106.36 1s78 h LEU 528 Ca 0.00 0.02 -0.65 0.00 0.08 0.00 0.00 57.88 57.33 1s78 h LEU 528 Cb 0.00 0.10 -0.15 0.00 1.08 0.00 0.00 40.66 41.68 1s78 h LEU 528 CO 0.00 -0.14 0.28 -2.16 -1.08 0.00 0.00 178.44 175.34 1s78 s PRO 529 N -3.59 3.22 0.46 1.13 0.05 -1.26 -5.05 135.00 129.96 1s78 s PRO 529 Ca -0.04 -0.59 -0.23 0.00 0.05 0.00 0.00 61.00 60.19 1s78 s PRO 529 Cb 0.01 -4.07 -0.07 0.00 0.05 0.00 0.00 34.50 30.42 1s78 s PRO 529 CO 0.13 -1.33 1.22 1.03 0.05 0.00 0.00 177.00 178.10 1s78 s ARG 530 N 3.21 3.70 0.27 4.56 1.81 -1.24 -4.84 118.95 126.42 1s78 s ARG 530 Ca 0.22 1.92 0.06 0.00 -1.72 0.00 0.00 55.73 56.22 1s78 s ARG 530 Cb -0.16 -2.45 -0.06 0.00 -0.45 0.00 0.00 34.95 31.83 1s78 s ARG 530 CO 0.15 -0.65 -0.06 -1.21 -0.68 0.00 0.00 175.30 172.86 1s78 s GLU 531 N -2.64 1.51 0.51 3.54 2.02 -0.33 -1.58 118.70 121.74 1s78 s GLU 531 Ca 0.64 -1.76 0.05 0.00 0.02 0.00 0.00 54.97 53.92 1s78 s GLU 531 Cb -0.32 -1.09 0.01 0.00 0.10 0.00 0.00 34.13 32.83 1s78 s GLU 531 CO 0.40 0.03 0.28 1.52 0.02 0.00 0.00 175.26 177.51 1s78 s TYR 532 N -3.05 1.86 -0.08 1.61 -0.85 0.38 -4.21 117.35 113.02 1s78 s TYR 532 Ca 0.29 -0.82 0.02 0.00 -0.52 0.00 0.00 57.07 56.04 1s78 s TYR 532 Cb 0.04 -1.86 0.01 0.00 0.38 0.00 0.00 41.96 40.53 1s78 s TYR 532 CO 0.11 -0.20 -0.13 0.08 -1.52 0.00 0.00 175.55 173.89 1s78 s VAL 533 N -2.76 1.23 -0.05 -3.49 1.01 -1.26 -2.18 120.40 112.90 1s78 s VAL 533 Ca 0.29 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1s78 s VAL 533 Cb -0.00 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1s78 s VAL 533 CO 0.17 0.38 0.02 0.21 0.00 0.00 0.00 175.10 175.89 1s78 s ASN 534 N 0.77 1.25 -1.53 3.32 3.84 -1.13 -4.90 114.94 116.56 1s78 s ASN 534 Ca -0.12 -0.02 -0.05 0.00 0.21 0.00 0.00 52.86 52.88 1s78 s ASN 534 Cb -0.16 -0.30 0.04 0.00 -0.55 0.00 0.00 41.25 40.29 1s78 s ASN 534 CO 0.02 -0.20 0.38 0.00 -2.79 0.00 0.00 177.10 174.52 1s78 n ALA 535 N 5.04 -1.83 -1.88 1.71 0.00 -1.26 -1.42 120.51 120.86 1s78 n ALA 535 Ca -0.09 -0.26 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 1s78 n ALA 535 Cb 0.50 -1.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1s78 n ALA 535 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s78 n ARG 536 N -4.43 -1.13 -4.79 0.00 1.74 -1.26 -4.95 116.66 101.84 1s78 n ARG 536 Ca -0.22 0.87 -0.33 0.00 -0.77 0.00 0.00 57.85 57.40 1s78 n ARG 536 Cb 0.64 -5.12 -0.15 0.00 -1.02 0.00 0.00 32.46 26.82 1s78 n ARG 536 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1s78 s HIS 537 N -2.66 2.79 -0.21 -1.55 3.76 -0.51 0.79 115.29 117.70 1s78 s HIS 537 Ca 0.00 -0.71 -0.29 0.00 -0.15 0.00 0.00 55.06 53.91 1s78 s HIS 537 Cb 0.00 -1.84 0.01 0.00 1.11 0.00 0.00 32.58 31.86 1s78 s HIS 537 CO 0.00 -0.25 1.04 0.00 -0.85 0.00 0.00 174.74 174.68 1s78 s LEU 539 N 3.04 1.69 0.56 0.00 1.43 -0.92 -4.50 118.68 119.98 1s78 s LEU 539 Ca 0.45 -0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 53.16 1s78 s LEU 539 Cb -0.16 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1s78 s LEU 539 CO 0.08 0.04 1.30 -2.84 0.23 0.00 0.00 176.35 175.16 1s78 s PRO 540 N 0.37 3.10 0.72 1.29 0.02 -1.26 -0.47 135.00 138.77 1s78 s PRO 540 Ca -0.06 2.09 -0.11 0.00 0.02 0.00 0.00 61.00 62.94 1s78 s PRO 540 Cb -0.10 -2.16 0.03 0.00 0.02 0.00 0.00 34.50 32.28 1s78 s PRO 540 CO 0.01 -1.18 1.08 0.00 -0.33 0.00 0.00 177.00 176.57 1s78 n HIS 542 N -3.17 2.43 0.18 0.00 -0.00 -1.05 -4.86 115.22 108.75 1s78 n HIS 542 Ca 0.07 0.42 0.10 0.00 0.46 0.00 0.00 57.72 58.77 1s78 n HIS 542 Cb 0.55 -2.49 0.53 0.00 -0.12 0.00 0.00 29.99 28.46 1s78 n HIS 542 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1s78 h PRO 543 N 3.86 0.00 -0.47 1.57 0.11 -1.95 -2.48 132.00 132.64 1s78 h PRO 543 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s78 h PRO 543 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1s78 h PRO 543 CO 0.73 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.91 1s78 n GLU 544 N -2.25 4.03 -3.64 1.05 -0.58 -1.26 -4.89 120.64 113.10 1s78 n GLU 544 Ca -0.01 -2.99 -0.36 0.00 -0.42 0.00 0.00 57.16 53.38 1s78 n GLU 544 Cb 0.20 -2.05 -0.08 0.00 -0.57 0.00 0.00 31.44 28.94 1s78 n GLU 544 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s78 s GLN 546 N 0.62 4.30 0.22 0.00 0.74 -0.92 -4.58 119.66 120.04 1s78 s GLN 546 Ca 0.11 1.85 -0.31 0.00 0.05 0.00 0.00 55.36 57.06 1s78 s GLN 546 Cb -0.12 -3.59 -0.15 0.00 1.10 0.00 0.00 33.01 30.24 1s78 s GLN 546 CO 0.02 -0.55 1.09 -2.30 -0.55 0.00 0.00 175.29 173.00 1s78 n PRO 547 N 5.46 1.21 -3.92 1.67 -0.02 -1.26 -4.65 135.00 133.49 1s78 n PRO 547 Ca 0.13 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 1s78 n PRO 547 Cb 0.45 -1.87 -0.14 0.00 -0.02 0.00 0.00 33.50 31.92 1s78 n PRO 547 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1s78 s GLN 548 N -0.83 3.16 -0.34 -0.52 -1.52 -1.26 -5.08 119.66 113.26 1s78 s GLN 548 Ca 0.67 -0.77 -0.29 0.00 -1.95 0.00 0.00 55.36 53.02 1s78 s GLN 548 Cb -0.79 -3.00 0.02 0.00 -0.22 0.00 0.00 33.01 29.01 1s78 s GLN 548 CO 0.55 -0.28 1.11 -0.80 -0.25 0.00 0.00 175.29 175.62 1s78 s ASN 549 N 1.42 6.85 0.00 5.90 0.01 -1.26 -3.42 114.94 124.44 1s78 s ASN 549 Ca 0.04 0.97 0.00 0.00 -0.71 0.00 0.00 52.86 53.16 1s78 s ASN 549 Cb -0.15 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1s78 s ASN 549 CO -0.04 -0.97 0.00 0.61 -1.51 0.00 0.00 177.10 175.19 1s78 n GLY 550 N 4.09 0.81 3.12 0.66 0.00 -1.26 -5.03 105.19 107.58 1s78 n GLY 550 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1s78 n GLY 550 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s78 s SER 551 N -2.82 0.44 0.50 1.61 0.15 -1.22 -5.11 113.70 107.24 1s78 s SER 551 Ca 0.00 -1.10 -0.23 0.00 0.70 0.00 0.00 55.95 55.32 1s78 s SER 551 Cb 0.00 0.24 -0.06 0.00 -1.71 0.00 0.00 66.02 64.49 1s78 s SER 551 CO 0.00 -0.65 1.38 -0.69 1.20 0.00 0.00 173.24 174.48 1s78 s VAL 552 N -3.97 2.11 -0.10 4.45 1.01 -1.26 -4.57 120.40 118.08 1s78 s VAL 552 Ca 0.15 0.09 0.18 0.00 0.00 0.00 0.00 61.98 62.40 1s78 s VAL 552 Cb 0.08 -3.05 -0.27 0.00 0.00 0.00 0.00 36.38 33.14 1s78 s VAL 552 CO -0.04 0.01 0.26 0.41 0.00 0.00 0.00 175.10 175.73 1s78 n THR 553 N -0.62 0.58 -3.53 3.92 -1.04 -1.26 -4.77 114.28 107.56 1s78 n THR 553 Ca 0.08 -0.60 -0.12 0.00 -2.04 0.00 0.00 64.05 61.37 1s78 n THR 553 Cb 0.44 -0.21 -0.04 0.00 -1.82 0.00 0.00 70.33 68.70 1s78 n THR 553 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s78 n PHE 555 N -0.09 0.17 -1.15 0.00 3.72 -0.84 -4.78 117.46 114.50 1s78 n PHE 555 Ca -0.17 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 1s78 n PHE 555 Cb 0.63 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 1s78 n PHE 555 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s78 n GLY 556 N 1.24 -1.29 0.14 1.37 0.00 -1.26 -4.99 105.19 100.39 1s78 n GLY 556 Ca 0.14 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1s78 n GLY 556 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s78 h PRO 557 N 0.00 0.00 -7.58 1.61 0.13 -1.93 -3.40 132.00 120.83 1s78 h PRO 557 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 1s78 h PRO 557 Cb 0.00 0.00 0.11 0.00 0.13 0.00 0.00 31.00 31.24 1s78 h PRO 557 CO 0.00 0.59 0.38 -1.21 -0.23 0.00 0.00 178.00 177.53 1s78 s GLU 558 N -3.37 1.78 0.20 0.86 8.01 -1.26 -2.54 118.70 122.38 1s78 s GLU 558 Ca 0.00 0.18 0.17 0.00 0.01 0.00 0.00 54.97 55.33 1s78 s GLU 558 Cb 0.11 -1.92 0.01 0.00 -4.31 0.00 0.00 34.13 28.01 1s78 s GLU 558 CO 0.75 -1.74 1.18 0.00 0.01 0.00 0.00 175.26 175.46 1s78 h ALA 559 N -1.16 0.67 0.00 5.21 0.00 -1.91 -3.22 119.26 118.85 1s78 h ALA 559 Ca -0.47 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1s78 h ALA 559 Cb 1.33 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1s78 h ALA 559 CO 0.65 0.59 0.00 0.38 0.00 0.00 0.00 179.25 180.87 1s78 h ASP 560 N 0.00 0.00 -0.39 0.00 2.03 -1.89 -3.13 116.42 113.04 1s78 h ASP 560 Ca -0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 1s78 h ASP 560 Cb 1.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.87 1s78 h ASP 560 CO 0.04 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.25 1s78 n GLN 561 N -2.91 2.04 -3.08 4.15 6.02 -1.21 -4.91 117.38 117.47 1s78 n GLN 561 Ca 0.02 -1.61 -0.39 0.00 -0.01 0.00 0.00 57.00 55.01 1s78 n GLN 561 Cb 0.34 -1.39 -0.06 0.00 1.02 0.00 0.00 30.24 30.15 1s78 n GLN 561 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s78 h VAL 563 N 3.33 0.58 -3.52 0.00 3.04 -1.89 -3.46 116.25 114.34 1s78 h VAL 563 Ca -0.48 -1.55 -0.06 0.00 -1.01 0.00 0.00 66.70 63.60 1s78 h VAL 563 Cb 1.21 2.08 -0.13 0.00 -2.01 0.00 0.00 31.29 32.44 1s78 h VAL 563 CO 0.65 0.29 -0.15 0.00 -1.01 0.00 0.00 177.57 177.36 1s78 s ALA 564 N -3.29 -0.70 -0.13 3.17 0.00 -1.26 -5.07 121.76 114.48 1s78 s ALA 564 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 1s78 s ALA 564 Cb 0.08 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1s78 s ALA 564 CO 0.69 -0.63 0.08 0.00 0.00 0.00 0.00 175.76 175.89 1s78 h ALA 566 N 5.54 -0.12 0.00 0.00 0.00 -1.47 -3.40 119.26 119.82 1s78 h ALA 566 Ca -0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1s78 h ALA 566 Cb 1.20 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1s78 h ALA 566 CO 0.61 -0.24 -0.55 0.72 0.00 0.00 0.00 179.25 179.78 1s78 n HIS 567 N -4.85 0.00 -3.77 0.00 8.25 -1.26 -4.89 115.22 108.69 1s78 n HIS 567 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 1s78 n HIS 567 Cb 0.29 -0.25 -0.09 0.00 1.12 0.00 0.00 29.99 31.06 1s78 n HIS 567 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1s78 s TYR 568 N -2.40 -0.21 -0.19 4.41 4.12 -1.20 -5.08 117.35 116.81 1s78 s TYR 568 Ca -0.14 0.39 -0.01 0.00 0.02 0.00 0.00 57.07 57.34 1s78 s TYR 568 Cb 0.02 0.09 0.00 0.00 -1.52 0.00 0.00 41.96 40.55 1s78 s TYR 568 CO 0.20 -0.31 -0.13 0.21 0.02 0.00 0.00 175.55 175.54 1s78 s LYS 569 N -0.90 3.19 -0.17 -0.62 2.20 -1.26 -0.72 119.74 121.46 1s78 s LYS 569 Ca -0.10 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 1s78 s LYS 569 Cb -0.05 -2.76 0.02 0.00 -1.51 0.00 0.00 37.83 33.53 1s78 s LYS 569 CO 0.03 -0.17 -0.20 0.34 -0.36 0.00 0.00 175.35 174.99 1s78 s ASP 570 N 1.29 3.09 0.29 1.43 2.15 -1.16 -4.95 116.67 118.81 1s78 s ASP 570 Ca 0.04 -0.63 -0.30 0.00 0.43 0.00 0.00 52.55 52.09 1s78 s ASP 570 Cb -0.14 -1.45 -0.11 0.00 -0.30 0.00 0.00 42.92 40.91 1s78 s ASP 570 CO -0.07 0.01 1.59 -2.84 -0.17 0.00 0.00 175.17 173.70 1s78 s PRO 571 N 1.23 4.12 0.00 4.34 0.02 -1.26 0.38 135.00 143.83 1s78 s PRO 571 Ca 0.03 2.58 0.18 0.00 0.02 0.00 0.00 61.00 63.81 1s78 s PRO 571 Cb -0.13 -3.02 0.54 0.00 0.02 0.00 0.00 34.50 31.90 1s78 s PRO 571 CO -0.11 -0.63 1.43 -0.35 -0.33 0.00 0.00 177.00 177.01 1s78 n PRO 572 N 2.17 2.04 -0.95 5.54 -0.05 -1.26 -5.08 135.00 137.42 1s78 n PRO 572 Ca 0.08 -1.59 -0.13 0.00 -0.05 0.00 0.00 63.50 61.81 1s78 n PRO 572 Cb 0.37 -1.40 0.09 0.00 -0.05 0.00 0.00 33.50 32.51 1s78 n PRO 572 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1s78 n PHE 573 N 0.79 -3.90 -4.07 0.54 3.01 0.16 -4.18 117.46 109.81 1s78 n PHE 573 Ca 0.17 -0.57 -0.25 0.00 1.01 0.00 0.00 57.45 57.80 1s78 n PHE 573 Cb 0.41 -0.46 -0.17 0.00 -0.01 0.00 0.00 39.48 39.26 1s78 n PHE 573 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s78 n VAL 575 N 4.60 0.00 0.00 0.00 0.24 0.10 -4.76 118.33 118.52 1s78 n VAL 575 Ca -0.16 -2.27 0.00 0.00 -2.04 0.00 0.00 64.34 59.88 1s78 n VAL 575 Cb 0.50 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 1s78 n VAL 575 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s78 n ALA 576 N -1.03 0.00 1.31 2.33 0.00 -1.26 -3.20 120.51 118.65 1s78 n ALA 576 Ca -0.13 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.41 1s78 n ALA 576 Cb 0.57 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.65 1s78 n ALA 576 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37