#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 -5.66 -2.82 3.07 -1.96 -3.39 115.11 104.35 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 0.28 -0.71 0.08 0.09 0.00 0.00 178.83 178.56 1s78 s VAL 3 N -3.03 3.50 0.06 1.86 1.01 -1.26 0.02 120.40 122.57 1s78 s VAL 3 Ca -0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1s78 s VAL 3 Cb 0.08 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1s78 s VAL 3 CO 0.78 0.54 0.13 0.00 0.00 0.00 0.00 175.10 176.56 1s78 s THR 5 N -3.38 5.21 0.70 0.00 2.01 -1.26 -0.04 115.64 118.88 1s78 s THR 5 Ca 0.01 0.86 -0.11 0.00 0.31 0.00 0.00 61.69 62.76 1s78 s THR 5 Cb 0.03 -3.78 0.16 0.00 0.01 0.00 0.00 72.50 68.92 1s78 s THR 5 CO -0.08 0.32 0.95 0.61 -0.69 0.00 0.00 174.62 175.73 1s78 n GLY 6 N 3.37 -1.24 4.00 4.40 0.00 0.12 -4.92 105.19 110.92 1s78 n GLY 6 Ca -0.08 -1.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.05 2.44 -0.43 2.61 -4.23 -0.64 -4.64 115.64 107.71 1s78 s THR 7 Ca 0.55 -0.81 0.07 0.00 -1.18 0.00 0.00 61.69 60.32 1s78 s THR 7 Cb -0.02 -2.64 0.24 0.00 1.34 0.00 0.00 72.50 71.43 1s78 s THR 7 CO 0.38 0.00 0.64 -0.67 -0.54 0.00 0.00 174.62 174.43 1s78 n ASP 8 N -2.35 -1.07 0.00 3.99 2.03 0.48 -3.80 116.55 115.83 1s78 n ASP 8 Ca 0.12 -2.88 0.00 0.00 0.52 0.00 0.00 54.79 52.55 1s78 n ASP 8 Cb 0.60 0.30 0.00 0.00 -0.72 0.00 0.00 41.12 41.30 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 1.66 2.81 0.00 -0.67 0.00 -1.23 -4.09 117.12 115.60 1s78 n MET 9 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.88 1s78 n MET 9 Cb 0.56 -0.73 0.00 0.00 0.00 0.00 0.00 33.22 33.05 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 -1.10 0.00 0.00 3.17 4.01 -1.26 -2.04 118.16 120.94 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 0.65 0.00 -0.51 0.00 0.00 35.03 35.17 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 0.58 -4.59 -0.35 4.77 -1.26 -4.87 117.00 111.28 1s78 n LEU 11 Ca 0.00 -0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 1s78 n LEU 11 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1s78 n LEU 11 CO 0.00 0.10 0.55 0.54 -1.33 0.00 0.00 177.39 177.25 1s78 n ARG 12 N -0.76 1.30 -3.79 3.23 1.74 -0.86 -4.96 116.66 112.56 1s78 n ARG 12 Ca 0.17 0.47 -0.33 0.00 -0.77 0.00 0.00 57.85 57.38 1s78 n ARG 12 Cb 0.26 -1.96 -0.05 0.00 -1.02 0.00 0.00 32.46 29.70 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 -0.11 4.35 0.16 0.55 0.05 -1.26 -5.01 118.68 117.42 1s78 s LEU 13 Ca 0.62 0.49 -0.33 0.00 0.05 0.00 0.00 54.13 54.96 1s78 s LEU 13 Cb -0.60 -2.84 -0.13 0.00 -2.05 0.00 0.00 46.19 40.58 1s78 s LEU 13 CO 0.58 0.20 1.68 -2.65 -0.55 0.00 0.00 176.35 175.61 1s78 n PRO 14 N 0.76 2.47 0.23 1.48 -0.02 -1.26 -4.85 135.00 133.81 1s78 n PRO 14 Ca -0.08 0.89 0.07 0.00 -2.02 0.00 0.00 63.50 62.36 1s78 n PRO 14 Cb 0.52 -2.71 0.55 0.00 -0.02 0.00 0.00 33.50 31.84 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 6.75 1.58 -2.98 3.55 0.00 -2.02 -3.32 119.26 122.82 1s78 h ALA 15 Ca -0.45 -0.16 -0.55 0.00 0.00 0.00 0.00 54.91 53.75 1s78 h ALA 15 Cb 1.23 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.59 1s78 h ALA 15 CO 0.93 0.22 -0.77 0.45 0.00 0.00 0.00 179.25 180.08 1s78 s SER 16 N -6.79 3.76 0.31 0.00 0.15 -1.26 -5.03 113.70 104.84 1s78 s SER 16 Ca -0.04 -1.44 0.08 0.00 0.70 0.00 0.00 55.95 55.25 1s78 s SER 16 Cb 0.15 -0.60 0.51 0.00 -1.71 0.00 0.00 66.02 64.37 1s78 s SER 16 CO 0.67 -0.43 1.73 -0.65 1.20 0.00 0.00 173.24 175.77 1s78 h PRO 17 N 8.25 0.19 0.00 5.44 0.11 -1.98 -3.05 132.00 140.97 1s78 h PRO 17 Ca -0.17 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 65.81 1s78 h PRO 17 Cb 1.02 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1s78 h PRO 17 CO 0.45 0.56 -0.23 0.93 -0.21 0.00 0.00 178.00 179.51 1s78 h GLU 18 N 0.17 0.00 -0.39 1.05 3.07 -1.95 -2.48 114.58 114.04 1s78 h GLU 18 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1s78 h GLU 18 Cb 0.77 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1s78 h GLU 18 CO 0.06 0.23 0.00 0.25 -1.40 0.00 0.00 179.01 178.15 1s78 n THR 19 N -4.01 2.03 -0.04 1.13 -2.24 -1.16 -4.70 114.28 105.29 1s78 n THR 19 Ca -0.02 -1.52 -0.15 0.00 -2.27 0.00 0.00 64.05 60.09 1s78 n THR 19 Cb 0.30 -0.04 -0.08 0.00 -2.10 0.00 0.00 70.33 68.41 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 2.57 0.58 -0.40 4.78 6.17 -1.37 -2.07 115.15 125.41 1s78 h HIS 20 Ca 0.00 -0.23 -0.14 0.00 0.71 0.00 0.00 60.37 60.72 1s78 h HIS 20 Cb 1.39 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 31.20 1s78 h HIS 20 CO 0.58 0.95 -0.30 1.25 0.71 0.00 0.00 177.93 181.12 1s78 h LEU 21 N 0.04 0.91 -1.03 0.26 6.46 -1.84 -2.74 115.31 117.37 1s78 h LEU 21 Ca -0.01 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.38 1s78 h LEU 21 Cb 0.95 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.58 1s78 h LEU 21 CO 0.07 1.13 0.53 -0.78 -0.62 0.00 0.00 178.44 178.77 1s78 h ASP 22 N 0.74 1.06 -0.45 1.25 -0.00 -1.85 -0.00 116.42 117.15 1s78 h ASP 22 Ca 0.08 -0.06 0.04 0.00 -0.00 0.00 0.00 57.03 57.09 1s78 h ASP 22 Cb 0.86 -0.27 -0.04 0.00 -0.00 0.00 0.00 39.33 39.88 1s78 h ASP 22 CO 0.08 0.81 0.22 -0.03 -0.00 0.00 0.00 179.24 180.32 1s78 h MET 23 N 1.21 0.43 -0.54 0.28 4.05 -1.20 -2.02 114.93 117.14 1s78 h MET 23 Ca 0.32 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.64 1s78 h MET 23 Cb -0.05 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 1s78 h MET 23 CO -0.06 0.29 0.06 -0.07 0.23 0.00 0.00 176.91 177.35 1s78 h LEU 24 N 0.44 0.89 0.30 3.39 4.07 -1.09 -1.42 115.31 121.89 1s78 h LEU 24 Ca 0.20 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1s78 h LEU 24 Cb 0.11 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1s78 h LEU 24 CO -0.14 0.94 -0.29 -0.09 -1.08 0.00 0.00 178.44 177.78 1s78 h ARG 25 N 0.80 -0.59 -0.58 1.13 2.43 -0.86 -2.21 114.38 114.50 1s78 h ARG 25 Ca 0.16 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1s78 h ARG 25 Cb 0.45 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1s78 h ARG 25 CO 0.02 -0.39 0.39 0.45 -1.51 0.00 0.00 179.97 178.92 1s78 h HIS 26 N -0.61 0.65 -0.01 2.20 3.86 -1.19 0.12 115.15 120.17 1s78 h HIS 26 Ca -0.01 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1s78 h HIS 26 Cb 0.56 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 1s78 h HIS 26 CO -0.18 0.38 -0.00 1.25 0.86 0.00 0.00 177.93 180.24 1s78 h LEU 27 N 0.68 0.03 -0.04 2.43 5.85 -0.95 -3.38 115.31 119.93 1s78 h LEU 27 Ca 0.23 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1s78 h LEU 27 Cb 0.08 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1s78 h LEU 27 CO -0.06 0.41 -0.62 -1.22 -0.34 0.00 0.00 178.44 176.61 1s78 n TYR 28 N -4.88 0.00 -1.50 1.25 4.02 -0.86 -4.83 117.16 110.36 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 0.21 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.45 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 -1.27 0.81 -1.75 -0.72 -0.06 0.01 -0.92 117.38 113.48 1s78 n GLN 29 Ca 0.03 0.26 -0.18 0.00 -2.00 0.00 0.00 57.00 55.11 1s78 n GLN 29 Cb 0.21 -2.09 -0.06 0.00 -4.06 0.00 0.00 30.24 24.25 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 5.90 1.15 3.81 1.69 0.00 -1.26 -5.00 105.19 111.48 1s78 n GLY 30 Ca 0.39 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 1.86 1.32 -4.27 0.00 6.02 0.10 -3.01 117.38 119.41 1s78 n GLN 32 Ca -0.18 0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.49 1s78 n GLN 32 Cb 0.54 -1.15 -0.13 0.00 1.02 0.00 0.00 30.24 30.53 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 3.62 -0.46 5.09 1.01 -0.09 0.62 120.40 128.06 1s78 s VAL 33 Ca -0.07 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1s78 s VAL 33 Cb 0.02 -2.61 0.12 0.00 0.00 0.00 0.00 36.38 33.92 1s78 s VAL 33 CO 0.19 0.46 0.26 -0.69 0.00 0.00 0.00 175.10 175.33 1s78 s VAL 34 N 0.79 3.43 0.06 2.92 1.01 0.16 -1.25 120.40 127.51 1s78 s VAL 34 Ca -0.02 -2.24 -0.30 0.00 0.00 0.00 0.00 61.98 59.41 1s78 s VAL 34 Cb -0.15 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 1s78 s VAL 34 CO 0.02 -0.74 1.71 -1.10 0.00 0.00 0.00 175.10 174.99 1s78 s GLN 35 N 0.88 4.18 1.12 2.72 -1.52 0.94 -0.89 119.66 127.10 1s78 s GLN 35 Ca 0.10 2.38 0.00 0.00 -1.95 0.00 0.00 55.36 55.89 1s78 s GLN 35 Cb -0.22 -3.71 0.00 0.00 -0.22 0.00 0.00 33.01 28.85 1s78 s GLN 35 CO -0.04 -0.79 0.00 0.41 -0.25 0.00 0.00 175.29 174.62 1s78 n GLY 36 N 4.11 -0.95 3.58 3.09 0.00 -1.26 0.11 105.19 113.87 1s78 n GLY 36 Ca 0.17 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 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 5.09 -0.54 1.61 0.01 -1.25 -0.77 114.94 115.09 1s78 s ASN 37 Ca 0.00 -0.01 -0.24 0.00 -0.71 0.00 0.00 52.86 51.90 1s78 s ASN 37 Cb 0.00 -1.72 0.04 0.00 0.41 0.00 0.00 41.25 39.98 1s78 s ASN 37 CO 0.00 0.23 0.95 -0.22 -1.51 0.00 0.00 177.10 176.56 1s78 s LEU 38 N -0.00 4.06 -0.29 0.60 2.96 -0.62 -1.62 118.68 123.76 1s78 s LEU 38 Ca 0.02 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1s78 s LEU 38 Cb -0.13 -2.88 0.05 0.00 0.50 0.00 0.00 46.19 43.73 1s78 s LEU 38 CO 0.02 -1.23 -0.01 -1.61 -1.32 0.00 0.00 176.35 172.21 1s78 s GLU 39 N 3.99 2.48 -0.49 1.98 2.02 -1.26 -0.56 118.70 126.85 1s78 s GLU 39 Ca 0.32 -1.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.06 1s78 s GLU 39 Cb -0.12 -3.16 0.13 0.00 0.10 0.00 0.00 34.13 31.08 1s78 s GLU 39 CO 0.20 -0.59 0.28 -0.51 0.02 0.00 0.00 175.26 174.66 1s78 s LEU 40 N 1.26 5.10 0.05 1.80 1.43 0.89 -4.94 118.68 124.27 1s78 s LEU 40 Ca -0.05 -2.45 0.05 0.00 -1.03 0.00 0.00 54.13 50.65 1s78 s LEU 40 Cb -0.19 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1s78 s LEU 40 CO -0.01 -0.43 -0.15 0.42 0.23 0.00 0.00 176.35 176.41 1s78 s THR 41 N 0.52 1.15 -0.95 5.49 -4.23 -1.26 -2.03 115.64 114.33 1s78 s THR 41 Ca 0.13 -1.12 -0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1s78 s THR 41 Cb -0.22 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.56 1s78 s THR 41 CO -0.04 -0.07 0.00 -1.22 -0.54 0.00 0.00 174.62 172.76 1s78 n TYR 42 N 1.67 -0.54 -2.88 3.99 4.02 -1.07 -4.97 117.16 117.38 1s78 n TYR 42 Ca -0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.29 1s78 n TYR 42 Cb 0.54 -2.59 -0.04 0.00 -0.02 0.00 0.00 39.34 37.23 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 -3.21 4.10 1.08 7.72 1.43 -1.26 -4.95 118.68 123.59 1s78 s LEU 43 Ca 0.00 1.07 -0.13 0.00 -1.03 0.00 0.00 54.13 54.04 1s78 s LEU 43 Cb -0.00 -3.21 0.24 0.00 0.03 0.00 0.00 46.19 43.25 1s78 s LEU 43 CO 0.00 -0.50 1.07 -2.16 0.23 0.00 0.00 176.35 174.99 1s78 s PRO 44 N 2.71 -0.26 0.54 1.29 0.04 -1.26 -0.98 135.00 137.09 1s78 s PRO 44 Ca 0.36 0.56 0.24 0.00 0.04 0.00 0.00 61.00 62.19 1s78 s PRO 44 Cb -0.15 -1.65 1.43 0.00 0.04 0.00 0.00 34.50 34.16 1s78 s PRO 44 CO 0.08 -3.20 2.05 0.00 0.04 0.00 0.00 177.00 175.97 1s78 h THR 45 N -2.24 0.72 0.00 1.26 1.03 -1.97 -2.73 112.91 108.99 1s78 h THR 45 Ca -0.57 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 65.74 1s78 h THR 45 Cb 1.34 0.81 -0.02 0.00 -1.07 0.00 0.00 68.15 69.21 1s78 h THR 45 CO 0.54 0.00 -1.73 -0.46 -0.01 0.00 0.00 175.52 173.86 1s78 n ASN 46 N -4.26 1.78 -1.96 0.00 6.94 -1.26 -4.28 115.26 112.22 1s78 n ASN 46 Ca 0.05 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.33 1s78 n ASN 46 Cb 0.43 1.35 -0.04 0.00 -2.36 0.00 0.00 39.78 39.16 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 -2.16 -0.47 -2.55 -2.53 0.00 -1.03 -4.88 120.51 106.88 1s78 n ALA 47 Ca -0.09 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 1s78 n ALA 47 Cb 0.56 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 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 1.44 6.54 -0.27 0.00 0.15 -1.26 -4.89 113.70 115.40 1s78 s SER 48 Ca 0.45 0.46 0.12 0.00 0.70 0.00 0.00 55.95 57.69 1s78 s SER 48 Cb -0.63 -2.55 0.71 0.00 -1.71 0.00 0.00 66.02 61.84 1s78 s SER 48 CO 0.33 -1.33 1.70 0.18 1.20 0.00 0.00 173.24 175.32 1s78 n LEU 49 N 8.15 5.44 -0.38 3.45 4.77 -1.26 -4.65 117.00 132.52 1s78 n LEU 49 Ca 0.12 -3.15 0.31 0.00 -0.03 0.00 0.00 56.01 53.26 1s78 n LEU 49 Cb 0.49 -0.68 0.62 0.00 -2.33 0.00 0.00 43.42 41.51 1s78 n LEU 49 CO 0.72 0.77 1.26 0.77 -1.33 0.00 0.00 177.39 179.58 1s78 h SER 50 N 2.71 0.27 0.15 -1.43 4.64 -1.97 -1.22 113.55 116.69 1s78 h SER 50 Ca 0.14 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1s78 h SER 50 Cb 2.03 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 1s78 h SER 50 CO 0.55 -0.02 0.00 2.22 -0.87 0.00 0.00 176.83 178.71 1s78 n PHE 51 N -4.52 0.20 1.09 4.77 1.16 -1.26 -1.87 117.46 117.03 1s78 n PHE 51 Ca 0.30 0.10 0.13 0.00 -1.87 0.00 0.00 57.45 56.11 1s78 n PHE 51 Cb 1.19 -0.66 0.37 0.00 -1.61 0.00 0.00 39.48 38.77 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 -1.70 0.51 0.00 5.98 4.77 -0.46 -4.01 117.00 122.09 1s78 n LEU 52 Ca 0.01 0.03 0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1s78 n LEU 52 Cb 0.05 -0.26 0.17 0.00 -2.33 0.00 0.00 43.42 41.05 1s78 n LEU 52 CO 0.06 0.11 0.37 0.00 -1.33 0.00 0.00 177.39 176.61 1s78 n GLN 53 N -1.28 0.41 0.00 3.23 10.64 -0.78 -2.54 117.38 127.05 1s78 n GLN 53 Ca 0.08 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.27 1s78 n GLN 53 Cb 0.33 -1.21 0.01 0.00 -0.86 0.00 0.00 30.24 28.51 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 -0.71 1.18 -4.67 2.61 8.00 -1.26 -4.67 116.55 117.02 1s78 n ASP 54 Ca 0.04 -1.09 -0.43 0.00 0.71 0.00 0.00 54.79 54.03 1s78 n ASP 54 Cb 0.02 0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.25 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 -0.52 4.44 -0.22 0.53 1.01 -1.05 -3.87 121.20 121.52 1s78 s ILE 55 Ca 0.05 1.75 0.08 0.00 0.00 0.00 0.00 60.65 62.52 1s78 s ILE 55 Cb 0.04 -4.12 -0.19 0.00 0.01 0.00 0.00 42.46 38.19 1s78 s ILE 55 CO 0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 174.94 174.83 1s78 n GLN 56 N 5.87 0.73 -3.96 2.79 6.02 0.20 -1.90 117.38 127.14 1s78 n GLN 56 Ca 0.12 0.08 -0.17 0.00 -0.01 0.00 0.00 57.00 57.01 1s78 n GLN 56 Cb 0.46 -1.49 -0.16 0.00 1.02 0.00 0.00 30.24 30.07 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 -2.48 0.35 -0.20 -1.09 2.12 -0.54 0.84 118.70 117.70 1s78 s GLU 57 Ca -0.23 0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.14 1s78 s GLU 57 Cb 0.07 -0.51 0.01 0.00 0.26 0.00 0.00 34.13 33.97 1s78 s GLU 57 CO 0.65 -0.12 -0.13 0.08 -0.54 0.00 0.00 175.26 175.20 1s78 s VAL 58 N 0.97 2.62 0.18 3.70 1.01 -0.56 -0.67 120.40 127.66 1s78 s VAL 58 Ca -0.10 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 1s78 s VAL 58 Cb -0.13 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1s78 s VAL 58 CO -0.01 0.46 1.55 1.56 0.00 0.00 0.00 175.10 178.66 1s78 h GLN 59 N 8.01 0.80 0.00 2.72 4.20 -1.05 -0.55 115.11 129.24 1s78 h GLN 59 Ca -0.43 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 57.89 1s78 h GLN 59 Cb 1.14 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 1s78 h GLN 59 CO 0.62 1.02 0.00 0.41 -0.67 0.00 0.00 178.83 180.20 1s78 n GLY 60 N -0.02 0.49 3.53 3.46 0.00 0.05 -1.61 105.19 111.10 1s78 n GLY 60 Ca -0.01 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 2.39 2.33 -0.19 1.61 -0.85 -1.16 -1.30 117.35 120.18 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 -1.39 -0.01 0.00 0.38 0.00 0.00 41.96 40.94 1s78 s TYR 61 CO 0.00 0.50 -0.07 0.08 -1.52 0.00 0.00 175.55 174.54 1s78 s VAL 62 N -2.71 3.34 -0.22 -3.49 1.01 0.76 -1.59 120.40 117.49 1s78 s VAL 62 Ca 0.32 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1s78 s VAL 62 Cb 0.04 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1s78 s VAL 62 CO 0.16 0.46 -0.13 -0.22 0.00 0.00 0.00 175.10 175.37 1s78 s LEU 63 N 1.08 2.82 -0.35 3.92 2.96 0.27 -0.51 118.68 128.86 1s78 s LEU 63 Ca 0.01 -0.90 -0.01 0.00 -0.22 0.00 0.00 54.13 53.00 1s78 s LEU 63 Cb -0.15 -1.56 0.08 0.00 0.50 0.00 0.00 46.19 45.07 1s78 s LEU 63 CO -0.01 -0.09 0.10 -0.63 -1.32 0.00 0.00 176.35 174.40 1s78 s ILE 64 N 1.26 3.02 0.01 6.68 1.01 0.36 -0.08 121.20 133.45 1s78 s ILE 64 Ca -0.00 -1.83 -0.10 0.00 0.00 0.00 0.00 60.65 58.73 1s78 s ILE 64 Cb -0.16 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.36 1s78 s ILE 64 CO -0.08 -0.44 0.19 0.00 0.00 0.00 0.00 174.94 174.61 1s78 s ALA 65 N 1.15 -0.44 -1.60 9.38 0.00 -0.86 -1.23 121.76 128.16 1s78 s ALA 65 Ca 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 1s78 s ALA 65 Cb -0.21 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1s78 s ALA 65 CO -0.03 -0.26 0.34 0.72 0.00 0.00 0.00 175.76 176.53 1s78 n HIS 66 N 1.20 -1.58 -4.04 0.00 8.25 -0.59 -2.59 115.22 115.87 1s78 n HIS 66 Ca -0.21 0.30 -0.31 0.00 -0.26 0.00 0.00 57.72 57.23 1s78 n HIS 66 Cb 0.56 -4.13 -0.06 0.00 1.12 0.00 0.00 29.99 27.48 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 -2.43 5.67 -0.00 0.41 0.01 -1.25 -2.99 114.94 114.36 1s78 s ASN 67 Ca 0.18 0.06 0.18 0.00 -0.71 0.00 0.00 52.86 52.58 1s78 s ASN 67 Cb -0.08 -1.58 -0.21 0.00 0.41 0.00 0.00 41.25 39.79 1s78 s ASN 67 CO 0.22 0.19 0.76 0.00 -1.51 0.00 0.00 177.10 176.76 1s78 n GLN 68 N 0.59 0.86 -1.70 -0.60 3.00 -0.15 -3.31 117.38 116.07 1s78 n GLN 68 Ca -0.09 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.46 1s78 n GLN 68 Cb 0.52 -1.38 -0.00 0.00 0.00 0.00 0.00 30.24 29.37 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 -1.50 2.11 0.11 5.09 0.24 -1.20 0.09 118.33 123.28 1s78 n VAL 69 Ca 0.03 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.34 61.80 1s78 n VAL 69 Cb 0.31 -1.59 0.08 0.00 -1.47 0.00 0.00 33.84 31.16 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 2.47 0.01 -3.45 7.34 3.08 -1.76 -1.41 114.38 120.66 1s78 h ARG 70 Ca -0.47 -0.01 -0.28 0.00 0.07 0.00 0.00 59.98 59.30 1s78 h ARG 70 Cb 1.28 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 31.00 1s78 h ARG 70 CO 0.62 0.74 -0.69 -1.14 -1.07 0.00 0.00 179.97 178.43 1s78 s GLN 71 N -3.33 0.00 -0.19 0.04 -0.44 -1.26 -0.58 119.66 113.90 1s78 s GLN 71 Ca -0.01 0.24 -0.04 0.00 -2.50 0.00 0.00 55.36 53.05 1s78 s GLN 71 Cb 0.12 -0.22 -0.02 0.00 -1.64 0.00 0.00 33.01 31.25 1s78 s GLN 71 CO 0.78 -0.16 -0.04 0.14 0.50 0.00 0.00 175.29 176.51 1s78 s VAL 72 N 1.07 3.59 -1.39 1.34 -7.23 -1.26 -4.90 120.40 111.62 1s78 s VAL 72 Ca -0.09 -0.44 -0.07 0.00 -1.81 0.00 0.00 61.98 59.58 1s78 s VAL 72 Cb -0.12 -2.60 0.08 0.00 0.56 0.00 0.00 36.38 34.29 1s78 s VAL 72 CO -0.04 0.45 2.47 -0.81 -0.31 0.00 0.00 175.10 176.86 1s78 n PRO 73 N 4.22 4.31 -1.01 4.82 -0.04 -1.26 -4.75 135.00 141.29 1s78 n PRO 73 Ca -0.18 -3.18 -0.22 0.00 -0.04 0.00 0.00 63.50 59.89 1s78 n PRO 73 Cb 0.52 -2.70 0.06 0.00 -0.04 0.00 0.00 33.50 31.33 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 2.36 6.74 0.31 1.53 4.77 -1.26 -4.08 117.00 127.36 1s78 n LEU 74 Ca 0.64 -3.54 0.19 0.00 -0.03 0.00 0.00 56.01 53.28 1s78 n LEU 74 Cb 0.25 -1.01 0.97 0.00 -2.33 0.00 0.00 43.42 41.30 1s78 n LEU 74 CO 0.74 1.27 1.09 1.56 -1.33 0.00 0.00 177.39 180.72 1s78 h GLN 75 N 1.56 0.00 -0.02 3.23 7.50 -1.86 -2.43 115.11 123.09 1s78 h GLN 75 Ca 0.39 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.54 1s78 h GLN 75 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.51 1s78 h GLN 75 CO 0.99 0.02 -0.30 0.54 -1.50 0.00 0.00 178.83 178.58 1s78 n ARG 76 N -3.20 1.53 -1.81 1.46 1.74 -1.26 -3.26 116.66 111.85 1s78 n ARG 76 Ca -0.02 -1.23 -0.42 0.00 -0.77 0.00 0.00 57.85 55.42 1s78 n ARG 76 Cb 0.17 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 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 -2.32 4.39 -0.15 0.55 0.20 -0.80 -4.16 118.68 116.39 1s78 s LEU 77 Ca 0.23 2.52 -0.06 0.00 0.69 0.00 0.00 54.13 57.51 1s78 s LEU 77 Cb 0.19 -3.54 -0.07 0.00 -0.43 0.00 0.00 46.19 42.34 1s78 s LEU 77 CO 0.48 -0.99 -0.18 -1.14 -0.29 0.00 0.00 176.35 174.23 1s78 n ARG 78 N 6.99 0.33 -4.55 1.98 3.00 0.25 -0.76 116.66 123.90 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 -1.10 -0.15 0.00 0.00 0.00 0.00 32.46 31.62 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 0.99 -0.12 5.15 2.07 -1.04 -1.58 121.20 124.40 1s78 s ILE 79 Ca -0.21 -0.50 0.01 0.00 -1.41 0.00 0.00 60.65 58.55 1s78 s ILE 79 Cb 0.07 -0.86 0.02 0.00 0.13 0.00 0.00 42.46 41.82 1s78 s ILE 79 CO 0.28 0.29 -0.16 0.54 -1.91 0.00 0.00 174.94 173.99 1s78 s VAL 80 N -0.01 1.59 -0.05 4.00 0.11 -0.82 -1.49 120.40 123.74 1s78 s VAL 80 Ca -0.01 -0.68 0.13 0.00 -2.93 0.00 0.00 61.98 58.49 1s78 s VAL 80 Cb -0.08 -1.45 -0.13 0.00 -1.53 0.00 0.00 36.38 33.18 1s78 s VAL 80 CO 0.00 0.46 1.05 0.03 -3.33 0.00 0.00 175.10 173.31 1s78 h ARG 81 N 7.60 0.00 -2.69 1.54 3.08 -1.20 -2.32 114.38 120.39 1s78 h ARG 81 Ca -0.33 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.50 1s78 h ARG 81 Cb 1.16 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.25 1s78 h ARG 81 CO 0.51 0.58 -0.33 0.41 -1.07 0.00 0.00 179.97 180.07 1s78 n GLY 82 N 1.38 0.05 0.22 0.04 0.00 -0.42 -3.09 105.19 103.38 1s78 n GLY 82 Ca -0.06 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.81 1.04 -3.99 2.61 2.02 -1.42 -3.40 112.91 108.96 1s78 h THR 83 Ca -0.29 -0.22 -0.69 0.00 0.77 0.00 0.00 66.41 65.99 1s78 h THR 83 Cb 1.20 0.35 -0.23 0.00 -1.74 0.00 0.00 68.15 67.73 1s78 h THR 83 CO 0.30 0.12 -0.87 -1.10 0.37 0.00 0.00 175.52 174.34 1s78 s GLN 84 N -6.13 1.49 -0.06 6.66 -0.21 -1.26 -5.04 119.66 115.11 1s78 s GLN 84 Ca -0.13 -1.30 0.05 0.00 0.02 0.00 0.00 55.36 54.01 1s78 s GLN 84 Cb 0.13 -1.92 -0.01 0.00 1.00 0.00 0.00 33.01 32.22 1s78 s GLN 84 CO 0.74 0.46 -0.22 -0.51 -2.12 0.00 0.00 175.29 173.65 1s78 s LEU 85 N -1.88 2.01 0.19 2.90 1.43 -1.26 -2.98 118.68 119.08 1s78 s LEU 85 Ca 0.14 -0.46 -0.33 0.00 -1.03 0.00 0.00 54.13 52.45 1s78 s LEU 85 Cb -0.10 -1.23 -0.14 0.00 0.03 0.00 0.00 46.19 44.75 1s78 s LEU 85 CO 0.05 0.21 1.51 0.33 0.23 0.00 0.00 176.35 178.68 1s78 n PHE 86 N 3.06 2.21 -2.20 0.29 7.35 0.20 -0.86 117.46 127.51 1s78 n PHE 86 Ca -0.18 0.34 -0.15 0.00 -0.76 0.00 0.00 57.45 56.70 1s78 n PHE 86 Cb 0.52 -2.51 -0.02 0.00 0.35 0.00 0.00 39.48 37.83 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 2.90 -1.90 -1.27 -4.13 1.02 -1.26 -0.29 120.64 115.71 1s78 n GLU 87 Ca 0.15 0.75 -0.11 0.00 -0.02 0.00 0.00 57.16 57.93 1s78 n GLU 87 Cb 0.29 -5.29 -0.05 0.00 -0.02 0.00 0.00 31.44 26.38 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 -1.60 -5.25 0.00 1.62 8.00 -0.04 -4.68 116.55 114.61 1s78 n ASP 88 Ca -0.17 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1s78 n ASP 88 Cb 0.60 -3.95 0.00 0.00 -0.02 0.00 0.00 41.12 37.75 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 -0.95 0.35 -4.36 -2.24 3.02 -0.28 -4.88 115.26 105.91 1s78 n ASN 89 Ca -0.11 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.11 1s78 n ASN 89 Cb 0.55 0.03 -0.14 0.00 -0.61 0.00 0.00 39.78 39.62 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 -1.07 2.84 0.06 3.10 1.51 0.61 -0.53 117.35 123.87 1s78 s TYR 90 Ca 0.00 -0.69 0.04 0.00 -1.01 0.00 0.00 57.07 55.41 1s78 s TYR 90 Cb 0.00 -1.88 -0.24 0.00 -0.11 0.00 0.00 41.96 39.73 1s78 s TYR 90 CO 0.00 -0.26 1.05 0.00 -1.11 0.00 0.00 175.55 175.24 1s78 h ALA 91 N 6.90 0.36 -3.45 3.71 0.00 -0.26 0.59 119.26 127.11 1s78 h ALA 91 Ca -0.28 -1.05 -0.51 0.00 0.00 0.00 0.00 54.91 53.06 1s78 h ALA 91 Cb 1.20 0.08 -0.33 0.00 0.00 0.00 0.00 17.79 18.74 1s78 h ALA 91 CO 0.57 1.24 -0.81 -1.17 0.00 0.00 0.00 179.25 179.07 1s78 s LEU 92 N -6.74 1.66 -0.11 0.00 2.96 -1.04 -0.17 118.68 115.26 1s78 s LEU 92 Ca -0.03 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1s78 s LEU 92 Cb 0.08 -0.82 0.05 0.00 0.50 0.00 0.00 46.19 46.00 1s78 s LEU 92 CO 0.84 0.04 0.09 0.00 -1.32 0.00 0.00 176.35 176.00 1s78 s ALA 93 N 0.62 0.25 -0.27 5.97 0.00 0.33 -0.87 121.76 127.78 1s78 s ALA 93 Ca -0.14 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 1s78 s ALA 93 Cb -0.15 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.15 1s78 s ALA 93 CO 0.04 -0.84 -0.04 0.08 0.00 0.00 0.00 175.76 175.00 1s78 s VAL 94 N 2.18 2.84 0.02 0.00 1.01 0.27 -0.49 120.40 126.22 1s78 s VAL 94 Ca 0.04 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.77 1s78 s VAL 94 Cb -0.14 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1s78 s VAL 94 CO -0.06 0.03 -0.05 -0.76 0.00 0.00 0.00 175.10 174.26 1s78 s LEU 95 N 1.26 2.13 -1.21 3.92 1.43 -0.36 -1.15 118.68 124.70 1s78 s LEU 95 Ca -0.03 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1s78 s LEU 95 Cb -0.18 -0.14 0.01 0.00 0.03 0.00 0.00 46.19 45.90 1s78 s LEU 95 CO -0.03 -0.10 0.08 0.47 0.23 0.00 0.00 176.35 177.00 1s78 n ASP 96 N 2.21 0.21 -3.88 2.29 8.00 -0.68 -1.54 116.55 123.17 1s78 n ASP 96 Ca -0.18 -1.04 -0.42 0.00 0.71 0.00 0.00 54.79 53.86 1s78 n ASP 96 Cb 0.57 -1.28 0.01 0.00 -0.02 0.00 0.00 41.12 40.39 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 -2.17 6.46 -2.40 -2.24 3.02 -0.98 -2.59 115.26 114.35 1s78 n ASN 97 Ca -0.24 -3.39 -0.12 0.00 -0.03 0.00 0.00 54.58 50.79 1s78 n ASN 97 Cb 0.55 -1.30 -0.04 0.00 -0.61 0.00 0.00 39.78 38.38 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 1.36 3.42 3.74 7.41 0.00 -1.21 -3.08 105.19 116.83 1s78 n GLY 98 Ca 0.34 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.37 7.36 -0.63 1.61 1.01 -1.25 -4.60 116.67 117.80 1s78 s ASP 99 Ca 0.21 1.99 -0.06 0.00 0.71 0.00 0.00 52.55 55.40 1s78 s ASP 99 Cb 0.01 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1s78 s ASP 99 CO 0.15 -0.15 1.78 -0.81 0.21 0.00 0.00 175.17 176.35 1s78 n PRO 100 N 2.45 1.43 -1.66 8.23 -0.04 -1.26 -5.10 135.00 139.04 1s78 n PRO 100 Ca 0.02 -1.22 -0.06 0.00 -0.04 0.00 0.00 63.50 62.21 1s78 n PRO 100 Cb 0.47 -2.37 0.01 0.00 -0.04 0.00 0.00 33.50 31.57 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 4.79 -1.15 0.00 1.53 -0.00 -1.26 -5.27 117.00 115.64 1s78 n LEU 101 Ca 0.33 0.06 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 1s78 n LEU 101 Cb 0.12 -0.58 0.00 0.00 -0.00 0.00 0.00 43.42 42.96 1s78 n LEU 101 CO 0.69 -0.31 0.00 -0.24 -0.00 0.00 0.00 177.39 177.53 1s78 n SER 111 N 1.09 0.00 -4.76 1.45 2.88 -1.26 -5.28 113.62 107.74 1s78 n SER 111 Ca -0.01 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.13 1s78 n SER 111 Cb 0.21 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.63 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 4.56 0.92 -1.46 0.04 -1.26 -5.03 135.00 132.77 1s78 s PRO 112 Ca 0.00 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.66 1s78 s PRO 112 Cb 0.00 -3.07 0.15 0.00 0.04 0.00 0.00 34.50 31.61 1s78 s PRO 112 CO 0.00 0.16 1.09 0.20 0.04 0.00 0.00 177.00 178.49 1s78 s GLY 113 N -1.01 1.61 0.00 0.56 0.00 -1.26 -5.01 107.32 102.20 1s78 s GLY 113 Ca 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1s78 s GLY 113 CO 0.38 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.49 1s78 n GLY 114 N -1.06 3.64 3.56 0.20 0.00 0.11 -3.82 105.19 107.82 1s78 n GLY 114 Ca 0.07 -1.50 -0.54 0.00 0.00 0.00 0.00 46.02 44.04 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 1.10 -0.09 0.99 7.94 -0.53 -4.11 117.00 122.30 1s78 n LEU 115 Ca 0.00 1.13 -0.16 0.00 -1.11 0.00 0.00 56.01 55.87 1s78 n LEU 115 Cb 0.00 -1.11 -0.07 0.00 0.53 0.00 0.00 43.42 42.78 1s78 n LEU 115 CO 0.00 -1.35 -1.09 0.54 -1.11 0.00 0.00 177.39 174.38 1s78 n ARG 116 N 2.15 0.39 -4.20 1.96 1.74 0.25 -2.52 116.66 116.43 1s78 n ARG 116 Ca 0.19 0.14 -0.19 0.00 -0.77 0.00 0.00 57.85 57.22 1s78 n ARG 116 Cb 0.16 -1.21 -0.12 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.33 0.85 0.14 5.56 2.02 -1.26 -0.79 118.70 122.89 1s78 s GLU 117 Ca -0.24 -0.95 -0.06 0.00 0.02 0.00 0.00 54.97 53.75 1s78 s GLU 117 Cb 0.08 -0.87 -0.06 0.00 0.10 0.00 0.00 34.13 33.38 1s78 s GLU 117 CO 0.34 0.20 1.34 -0.07 0.02 0.00 0.00 175.26 177.09 1s78 h LEU 118 N 4.35 0.62 -0.85 1.80 3.38 -1.77 -3.44 115.31 119.40 1s78 h LEU 118 Ca -0.41 -0.45 -0.47 0.00 0.09 0.00 0.00 57.88 56.64 1s78 h LEU 118 Cb 1.19 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1s78 h LEU 118 CO 0.40 1.22 -0.74 0.00 0.09 0.00 0.00 178.44 179.42 1s78 n GLN 119 N -3.82 -5.44 -2.32 1.13 6.02 -0.33 -4.82 117.38 107.79 1s78 n GLN 119 Ca -0.06 0.60 -0.40 0.00 -0.01 0.00 0.00 57.00 57.13 1s78 n GLN 119 Cb 0.78 -5.49 0.02 0.00 1.02 0.00 0.00 30.24 26.56 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 -4.63 7.45 0.00 1.08 4.77 -1.26 -3.85 117.00 120.56 1s78 n LEU 120 Ca 0.04 -5.12 0.10 0.00 -0.03 0.00 0.00 56.01 51.00 1s78 n LEU 120 Cb 0.53 -1.18 0.48 0.00 -2.33 0.00 0.00 43.42 40.92 1s78 n LEU 120 CO 0.74 1.96 0.81 -2.11 -1.33 0.00 0.00 177.39 177.46 1s78 n ARG 121 N 0.12 0.22 -0.00 3.23 1.85 -1.26 -2.02 116.66 118.80 1s78 n ARG 121 Ca 0.51 0.11 0.06 0.00 -1.00 0.00 0.00 57.85 57.53 1s78 n ARG 121 Cb 0.27 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.11 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 -1.33 0.75 -4.55 2.89 7.64 -1.20 -4.79 113.62 113.02 1s78 n SER 122 Ca 0.08 -0.68 -0.29 0.00 1.01 0.00 0.00 58.87 58.99 1s78 n SER 122 Cb 0.17 1.07 -0.04 0.00 -1.01 0.00 0.00 64.21 64.39 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 -2.70 3.21 -0.01 -3.43 2.96 0.06 -4.18 118.68 114.59 1s78 s LEU 123 Ca 0.03 0.47 0.09 0.00 -0.22 0.00 0.00 54.13 54.50 1s78 s LEU 123 Cb 0.09 -2.53 -0.12 0.00 0.50 0.00 0.00 46.19 44.13 1s78 s LEU 123 CO 0.48 -3.06 0.24 0.41 -1.32 0.00 0.00 176.35 173.10 1s78 n THR 124 N 8.07 0.00 -3.78 3.68 -1.04 -0.61 -4.94 114.28 115.66 1s78 n THR 124 Ca 0.37 -0.23 -0.20 0.00 -2.04 0.00 0.00 64.05 61.95 1s78 n THR 124 Cb 0.50 0.50 -0.17 0.00 -1.82 0.00 0.00 70.33 69.34 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 -2.38 0.28 -0.25 -2.82 2.56 -1.04 -4.43 118.70 110.62 1s78 s GLU 125 Ca -0.01 0.20 0.02 0.00 0.00 0.00 0.00 54.97 55.18 1s78 s GLU 125 Cb 0.06 -0.68 0.05 0.00 2.00 0.00 0.00 34.13 35.56 1s78 s GLU 125 CO 0.36 -0.27 -0.12 0.42 -0.56 0.00 0.00 175.26 175.09 1s78 s ILE 126 N 1.80 2.22 0.07 -3.70 1.01 -0.50 -1.94 121.20 120.16 1s78 s ILE 126 Ca 0.01 -1.47 -0.11 0.00 0.00 0.00 0.00 60.65 59.07 1s78 s ILE 126 Cb -0.12 -2.23 -0.28 0.00 0.01 0.00 0.00 42.46 39.83 1s78 s ILE 126 CO -0.04 0.08 1.13 -0.07 0.00 0.00 0.00 174.94 176.05 1s78 h LEU 127 N 7.82 0.75 -7.41 2.97 3.38 -1.60 -0.86 115.31 120.36 1s78 h LEU 127 Ca -0.25 -0.70 -0.18 0.00 0.09 0.00 0.00 57.88 56.84 1s78 h LEU 127 Cb 1.06 -0.24 -0.28 0.00 0.09 0.00 0.00 40.66 41.30 1s78 h LEU 127 CO 0.50 1.52 -0.45 -0.75 0.09 0.00 0.00 178.44 179.35 1s78 s LYS 128 N -2.94 0.25 0.00 1.13 2.20 -1.18 -3.85 119.74 115.35 1s78 s LYS 128 Ca -0.08 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 1s78 s LYS 128 Cb 0.06 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1s78 s LYS 128 CO 0.92 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 176.22 1s78 n GLY 129 N 3.59 -0.72 0.00 5.54 0.00 -1.26 -4.24 105.19 108.09 1s78 n GLY 129 Ca -0.19 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.81 4.81 3.18 -0.02 0.00 0.31 -4.39 105.19 108.27 1s78 n GLY 130 Ca 0.00 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 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 0.17 2.04 -0.21 1.61 1.01 0.28 0.41 120.40 125.72 1s78 s VAL 131 Ca 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1s78 s VAL 131 Cb 0.00 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1s78 s VAL 131 CO 0.00 0.55 -0.12 -0.22 0.00 0.00 0.00 175.10 175.31 1s78 s LEU 132 N 0.67 2.68 -0.14 3.92 2.96 -0.05 -1.18 118.68 127.54 1s78 s LEU 132 Ca -0.11 -0.71 -0.01 0.00 -0.22 0.00 0.00 54.13 53.09 1s78 s LEU 132 Cb -0.16 -1.59 0.04 0.00 0.50 0.00 0.00 46.19 44.97 1s78 s LEU 132 CO 0.02 -0.05 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.32 1s78 s ILE 133 N 1.33 0.96 -0.17 6.68 1.01 0.80 -0.57 121.20 131.24 1s78 s ILE 133 Ca 0.03 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.07 1s78 s ILE 133 Cb -0.15 -1.12 0.04 0.00 0.01 0.00 0.00 42.46 41.24 1s78 s ILE 133 CO -0.08 0.18 0.45 -1.10 0.00 0.00 0.00 174.94 174.38 1s78 s GLN 134 N 1.71 0.52 -1.03 2.79 -0.21 -0.30 -0.48 119.66 122.65 1s78 s GLN 134 Ca 0.02 0.64 -0.11 0.00 0.02 0.00 0.00 55.36 55.93 1s78 s GLN 134 Cb -0.14 0.24 -0.04 0.00 1.00 0.00 0.00 33.01 34.07 1s78 s GLN 134 CO -0.08 -0.07 0.83 0.54 -2.12 0.00 0.00 175.29 174.40 1s78 n ARG 135 N 2.93 -1.71 -3.75 2.91 1.74 -1.26 -1.69 116.66 115.84 1s78 n ARG 135 Ca -0.14 0.79 -0.30 0.00 -0.77 0.00 0.00 57.85 57.44 1s78 n ARG 135 Cb 0.57 -5.04 -0.14 0.00 -1.02 0.00 0.00 32.46 26.83 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 -3.35 3.88 0.41 0.55 0.01 -1.26 -1.70 114.94 113.48 1s78 s ASN 136 Ca 0.39 -2.28 0.28 0.00 -0.71 0.00 0.00 52.86 50.54 1s78 s ASN 136 Cb -0.09 -1.04 1.03 0.00 0.41 0.00 0.00 41.25 41.55 1s78 s ASN 136 CO 0.79 -0.32 1.82 -0.65 -1.51 0.00 0.00 177.10 177.23 1s78 h PRO 137 N 7.23 0.00 -0.39 -0.60 0.11 -1.79 -2.14 132.00 134.43 1s78 h PRO 137 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1s78 h PRO 137 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1s78 h PRO 137 CO 0.49 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.32 1s78 n GLN 138 N -2.76 2.74 -3.02 1.05 1.13 -1.26 0.10 117.38 115.36 1s78 n GLN 138 Ca 0.02 -2.10 -0.40 0.00 -1.94 0.00 0.00 57.00 52.58 1s78 n GLN 138 Cb 0.34 -1.31 -0.05 0.00 0.11 0.00 0.00 30.24 29.33 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 4.40 0.21 1.08 2.96 -0.81 -4.13 118.68 121.38 1s78 s LEU 139 Ca 0.26 1.33 0.10 0.00 -0.22 0.00 0.00 54.13 55.61 1s78 s LEU 139 Cb 0.14 -3.15 -0.05 0.00 0.50 0.00 0.00 46.19 43.63 1s78 s LEU 139 CO 0.18 -0.03 -0.20 0.00 -1.32 0.00 0.00 176.35 174.98 1s78 n TYR 141 N -0.08 0.00 0.16 0.00 4.02 -1.26 -4.43 117.16 115.57 1s78 n TYR 141 Ca -0.10 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.84 1s78 n TYR 141 Cb 0.58 -0.47 0.14 0.00 -0.02 0.00 0.00 39.34 39.58 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 1.33 0.00 -0.28 -0.72 -0.00 -1.88 -2.82 115.11 110.74 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 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.64 1s78 h GLN 142 CO 0.00 0.42 0.00 -0.40 -0.00 0.00 0.00 178.83 178.85 1s78 n ASP 143 N -3.29 1.06 -0.07 0.06 5.75 -1.26 -3.62 116.55 115.19 1s78 n ASP 143 Ca 0.01 -2.03 -0.06 0.00 -0.01 0.00 0.00 54.79 52.70 1s78 n ASP 143 Cb 0.65 -0.18 -0.11 0.00 -1.03 0.00 0.00 41.12 40.45 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 0.01 0.92 -2.20 2.12 5.66 -1.06 -4.99 114.28 114.73 1s78 n THR 144 Ca 0.06 -0.59 -0.41 0.00 -3.05 0.00 0.00 64.05 60.06 1s78 n THR 144 Cb 0.19 -0.59 -0.03 0.00 -1.55 0.00 0.00 70.33 68.35 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 -2.37 3.08 -1.21 1.09 -1.09 -1.24 -4.30 121.20 115.15 1s78 s ILE 145 Ca -0.07 0.94 -0.19 0.00 -2.23 0.00 0.00 60.65 59.11 1s78 s ILE 145 Cb 0.04 -3.60 0.08 0.00 -1.58 0.00 0.00 42.46 37.40 1s78 s ILE 145 CO 0.58 0.17 1.62 -0.22 -1.23 0.00 0.00 174.94 175.86 1s78 s LEU 146 N -0.61 3.92 0.44 2.97 1.98 -1.26 -4.87 118.68 121.24 1s78 s LEU 146 Ca 0.54 -2.25 0.10 0.00 -2.89 0.00 0.00 54.13 49.63 1s78 s LEU 146 Cb -0.37 -2.55 0.97 0.00 0.66 0.00 0.00 46.19 44.89 1s78 s LEU 146 CO 0.42 -1.21 2.05 -0.50 -1.89 0.00 0.00 176.35 175.23 1s78 h TRP 147 N 8.10 0.30 -0.99 5.38 4.06 -1.96 -2.14 115.95 128.69 1s78 h TRP 147 Ca 0.37 -0.00 0.24 0.00 2.06 0.00 0.00 58.89 61.55 1s78 h TRP 147 Cb 0.91 -0.10 -0.08 0.00 -1.00 0.00 0.00 29.16 28.89 1s78 h TRP 147 CO 1.35 0.24 0.64 -0.22 -3.56 0.00 0.00 178.44 176.89 1s78 h LYS 148 N 0.31 0.42 -0.18 0.49 3.64 -1.93 -1.58 116.57 117.74 1s78 h LYS 148 Ca 0.08 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.28 1s78 h LYS 148 Cb 0.06 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1s78 h LYS 148 CO -0.01 0.28 -0.54 0.22 -2.27 0.00 0.00 179.45 177.13 1s78 h ASP 149 N 0.43 0.58 -0.07 4.20 1.82 -1.79 -3.29 116.42 118.30 1s78 h ASP 149 Ca 0.55 -0.30 -0.09 0.00 -0.39 0.00 0.00 57.03 56.80 1s78 h ASP 149 Cb 1.34 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1s78 h ASP 149 CO -0.26 1.00 -0.29 0.40 -1.61 0.00 0.00 179.24 178.48 1s78 h ILE 150 N 0.40 1.42 -2.94 2.25 2.04 -1.40 -3.39 117.51 115.90 1s78 h ILE 150 Ca 0.01 -1.69 -0.53 0.00 1.00 0.00 0.00 64.86 63.65 1s78 h ILE 150 Cb 1.07 2.31 0.07 0.00 -0.74 0.00 0.00 36.82 39.53 1s78 h ILE 150 CO 0.10 0.48 0.92 0.49 0.00 0.00 0.00 178.15 180.14 1s78 n PHE 151 N -4.45 2.75 -1.42 1.37 0.99 -1.06 -1.41 117.46 114.24 1s78 n PHE 151 Ca -0.08 0.17 -0.34 0.00 -0.00 0.00 0.00 57.45 57.20 1s78 n PHE 151 Cb 0.48 -2.62 0.09 0.00 -1.00 0.00 0.00 39.48 36.44 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 0.53 2.06 0.48 1.38 5.65 -0.33 -4.85 115.29 120.21 1s78 s HIS 152 Ca 0.70 1.60 0.27 0.00 0.25 0.00 0.00 55.06 57.88 1s78 s HIS 152 Cb -0.52 -3.46 1.33 0.00 -1.18 0.00 0.00 32.58 28.76 1s78 s HIS 152 CO 0.41 -2.58 1.82 -0.22 -0.65 0.00 0.00 174.74 173.52 1s78 h LYS 153 N -0.35 0.17 -0.44 2.88 3.64 -1.92 -1.54 116.57 119.02 1s78 h LYS 153 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 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 0.50 0.11 0.00 0.09 -2.27 0.00 0.00 179.45 177.88 1s78 n ASN 154 N -4.39 3.54 -4.58 4.20 3.02 -1.26 -4.92 115.26 110.87 1s78 n ASN 154 Ca 0.23 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.37 1s78 n ASN 154 Cb 1.00 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.86 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 -1.42 6.06 0.00 6.41 3.84 -0.58 -4.85 114.94 124.39 1s78 s ASN 155 Ca 0.41 0.59 0.28 0.00 0.21 0.00 0.00 52.86 54.35 1s78 s ASN 155 Cb 0.23 -2.54 1.01 0.00 -0.55 0.00 0.00 41.25 39.41 1s78 s ASN 155 CO 0.32 -1.71 1.74 0.00 -2.79 0.00 0.00 177.10 174.67 1s78 n GLN 156 N 8.52 0.34 -2.10 0.43 6.02 -1.26 -3.18 117.38 126.14 1s78 n GLN 156 Ca 0.16 -0.13 -0.23 0.00 -0.01 0.00 0.00 57.00 56.79 1s78 n GLN 156 Cb 0.49 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.27 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 -1.22 4.77 -4.57 1.08 4.77 -1.26 -4.97 117.00 115.60 1s78 n LEU 157 Ca 0.10 -4.73 -0.41 0.00 -0.03 0.00 0.00 56.01 50.94 1s78 n LEU 157 Cb 0.31 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1s78 n LEU 157 CO 0.28 2.08 1.66 0.00 -1.33 0.00 0.00 177.39 180.08 1s78 s ALA 158 N -3.60 2.88 0.24 -1.18 0.00 -1.19 -1.67 121.76 117.24 1s78 s ALA 158 Ca 0.50 -2.48 0.02 0.00 0.00 0.00 0.00 51.96 50.00 1s78 s ALA 158 Cb 0.41 -4.58 -0.05 0.00 0.00 0.00 0.00 23.12 18.89 1s78 s ALA 158 CO 0.01 -3.58 0.05 -0.48 0.00 0.00 0.00 175.76 171.75 1s78 s LEU 159 N 5.03 1.94 -0.02 0.00 -0.00 -1.26 -4.98 118.68 119.40 1s78 s LEU 159 Ca 0.50 -1.29 0.04 0.00 -0.00 0.00 0.00 54.13 53.38 1s78 s LEU 159 Cb 0.01 -0.12 -0.01 0.00 -0.00 0.00 0.00 46.19 46.08 1s78 s LEU 159 CO -0.02 -0.62 -0.14 -0.89 -0.00 0.00 0.00 176.35 174.67 1s78 s THR 160 N -3.59 1.11 -0.24 5.48 2.01 -1.26 -0.56 115.64 118.59 1s78 s THR 160 Ca 0.32 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.70 1s78 s THR 160 Cb 0.07 -0.93 0.08 0.00 0.01 0.00 0.00 72.50 71.72 1s78 s THR 160 CO 0.10 0.32 0.08 -0.22 -0.69 0.00 0.00 174.62 174.21 1s78 s LEU 161 N -0.24 1.22 -0.02 4.42 2.96 -0.32 -4.98 118.68 121.72 1s78 s LEU 161 Ca 0.04 -1.12 0.04 0.00 -0.22 0.00 0.00 54.13 52.87 1s78 s LEU 161 Cb -0.06 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 1s78 s LEU 161 CO -0.00 -0.37 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.88 1s78 s ILE 162 N 1.88 1.22 -0.10 6.68 1.01 -1.26 -0.14 121.20 130.49 1s78 s ILE 162 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1s78 s ILE 162 Cb -0.17 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 1s78 s ILE 162 CO -0.19 0.35 -0.10 -0.62 0.00 0.00 0.00 174.94 174.37 1s78 s ASP 163 N -0.24 4.29 -0.19 3.58 3.68 0.37 -4.99 116.67 123.17 1s78 s ASP 163 Ca 0.03 -0.19 0.13 0.00 2.13 0.00 0.00 52.55 54.65 1s78 s ASP 163 Cb -0.07 -1.35 0.43 0.00 -1.45 0.00 0.00 42.92 40.48 1s78 s ASP 163 CO 0.00 0.26 1.21 0.35 0.13 0.00 0.00 175.17 177.11 1s78 n THR 164 N 2.92 1.92 -2.13 1.71 -2.24 -1.26 -4.77 114.28 110.43 1s78 n THR 164 Ca -0.18 -3.06 -0.42 0.00 -2.27 0.00 0.00 64.05 58.13 1s78 n THR 164 Cb 0.53 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 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 -3.13 6.79 0.01 3.42 2.47 -1.26 -5.01 114.94 118.23 1s78 s ASN 165 Ca 0.39 2.45 -0.04 0.00 0.42 0.00 0.00 52.86 56.08 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 -0.07 -0.64 0.05 -0.13 -3.72 0.00 0.00 177.10 172.60 1s78 s ARG 166 N 0.45 0.41 0.00 0.43 0.52 -1.26 -4.52 118.95 114.98 1s78 s ARG 166 Ca 0.62 -0.54 0.08 0.00 -0.52 0.00 0.00 55.73 55.37 1s78 s ARG 166 Cb -0.38 0.16 0.15 0.00 0.52 0.00 0.00 34.95 35.40 1s78 s ARG 166 CO 0.35 -0.09 1.01 0.43 0.02 0.00 0.00 175.30 177.02 1s78 n SER 167 N 1.45 2.25 -4.08 0.23 7.64 0.11 -5.00 113.62 116.21 1s78 n SER 167 Ca -0.23 -1.73 -0.12 0.00 1.01 0.00 0.00 58.87 57.81 1s78 n SER 167 Cb 0.56 -0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 63.55 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 -0.86 0.59 0.04 1.43 1.70 -1.26 -5.04 118.95 115.56 1s78 s ARG 168 Ca 0.14 -0.92 -0.30 0.00 -0.47 0.00 0.00 55.73 54.17 1s78 s ARG 168 Cb 0.08 -0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.23 1s78 s ARG 168 CO 0.11 0.01 0.99 0.00 -1.08 0.00 0.00 175.30 175.32 1s78 s ALA 169 N -2.15 3.20 0.48 7.88 0.00 -1.26 -5.04 121.76 124.87 1s78 s ALA 169 Ca -0.04 0.57 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 1s78 s ALA 169 Cb -0.05 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 1s78 s ALA 169 CO -0.02 -0.17 0.97 0.00 0.00 0.00 0.00 175.76 176.54 1s78 s HIS 171 N -2.40 3.51 0.96 0.00 3.76 -1.26 -5.10 115.29 114.77 1s78 s HIS 171 Ca 0.61 0.47 -0.12 0.00 -0.15 0.00 0.00 55.06 55.87 1s78 s HIS 171 Cb -0.10 -1.99 0.17 0.00 1.11 0.00 0.00 32.58 31.77 1s78 s HIS 171 CO 0.23 0.07 1.09 -2.14 -0.85 0.00 0.00 174.74 173.13 1s78 s PRO 172 N -4.26 0.69 0.93 8.40 0.02 -1.26 -4.99 135.00 134.54 1s78 s PRO 172 Ca 0.42 0.75 -0.11 0.00 0.02 0.00 0.00 61.00 62.08 1s78 s PRO 172 Cb -0.10 -1.75 0.15 0.00 0.02 0.00 0.00 34.50 32.82 1s78 s PRO 172 CO 0.37 -2.61 1.10 0.00 -0.33 0.00 0.00 177.00 175.52 1s78 n SER 174 N -4.15 1.86 -0.06 0.00 2.88 -1.22 -4.82 113.62 108.11 1s78 n SER 174 Ca 0.08 1.16 0.25 0.00 -1.33 0.00 0.00 58.87 59.03 1s78 n SER 174 Cb 0.54 -1.32 0.72 0.00 -0.75 0.00 0.00 64.21 63.39 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 3.11 0.00 0.00 -1.46 0.11 -1.92 -0.36 132.00 131.48 1s78 h PRO 175 Ca -0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1s78 h PRO 175 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1s78 h PRO 175 CO 0.68 0.00 -0.00 0.52 -0.21 0.00 0.00 178.00 178.99 1s78 h MET 176 N 0.00 0.00 -6.38 1.05 2.86 -1.95 -3.43 114.93 107.08 1s78 h MET 176 Ca 0.33 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.42 1s78 h MET 176 Cb 1.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.16 1s78 h MET 176 CO -0.00 0.00 0.69 0.00 1.06 0.00 0.00 176.91 178.66 1s78 h LYS 178 N 7.33 -0.56 0.00 0.00 1.63 -1.86 -3.45 116.57 119.66 1s78 h LYS 178 Ca -0.37 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1s78 h LYS 178 Cb 1.18 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1s78 h LYS 178 CO 0.86 -0.37 0.00 0.41 -3.45 0.00 0.00 179.45 176.90 1s78 n GLY 179 N -1.39 3.04 0.00 5.01 0.00 -1.26 -4.95 105.19 105.64 1s78 n GLY 179 Ca -0.09 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.35 0.00 -4.69 1.61 3.41 -1.26 -4.87 113.62 107.47 1s78 n SER 180 Ca 0.00 0.47 -0.42 0.00 -0.26 0.00 0.00 58.87 58.66 1s78 n SER 180 Cb 0.00 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 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 -2.95 4.46 -0.18 4.33 0.52 -1.26 -4.76 118.95 119.12 1s78 s ARG 181 Ca 0.00 1.39 -0.30 0.00 -0.52 0.00 0.00 55.73 56.29 1s78 s ARG 181 Cb 0.00 -3.51 0.14 0.00 0.52 0.00 0.00 34.95 32.10 1s78 s ARG 181 CO 0.00 -0.22 1.08 0.00 0.02 0.00 0.00 175.30 176.18 1s78 n TRP 183 N 0.58 1.04 0.00 0.00 7.02 0.13 -4.63 117.44 121.59 1s78 n TRP 183 Ca -0.07 -0.50 0.00 0.00 -1.02 0.00 0.00 57.50 55.90 1s78 n TRP 183 Cb 0.58 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.44 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 1.60 0.16 0.25 6.99 0.00 -1.26 -1.19 105.19 111.74 1s78 n GLY 184 Ca 0.25 -1.14 0.08 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 -7.33 1.61 4.81 -1.94 -3.42 114.58 108.31 1s78 h GLU 185 Ca 0.00 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.73 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 0.10 0.29 0.45 -0.73 0.00 0.00 179.01 179.12 1s78 s SER 186 N -6.78 4.12 0.14 1.04 0.15 -1.26 -3.39 113.70 107.72 1s78 s SER 186 Ca -0.04 1.64 -0.09 0.00 0.70 0.00 0.00 55.95 58.16 1s78 s SER 186 Cb 0.16 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 62.09 1s78 s SER 186 CO 0.65 -2.25 1.44 0.77 1.20 0.00 0.00 173.24 175.05 1s78 h SER 187 N -1.28 0.89 0.00 5.45 4.64 -1.95 -3.05 113.55 118.26 1s78 h SER 187 Ca -0.46 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.38 1s78 h SER 187 Cb 1.25 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1s78 h SER 187 CO 0.53 1.25 0.00 -1.84 -0.87 0.00 0.00 176.83 175.91 1s78 n GLU 188 N -4.00 0.73 0.00 4.77 0.28 -1.26 -3.17 120.64 117.99 1s78 n GLU 188 Ca -0.04 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.01 1s78 n GLU 188 Cb 0.62 -1.19 0.02 0.00 1.43 0.00 0.00 31.44 32.32 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 -0.17 1.54 -4.66 -1.84 10.43 -1.15 -4.95 116.55 115.75 1s78 n ASP 189 Ca 0.00 -1.27 -0.44 0.00 2.57 0.00 0.00 54.79 55.64 1s78 n ASP 189 Cb 0.10 0.25 -0.02 0.00 1.84 0.00 0.00 41.12 43.28 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 -1.00 4.32 -0.16 0.00 0.74 -1.21 -4.78 119.66 117.57 1s78 s GLN 191 Ca 0.63 1.93 -0.15 0.00 0.05 0.00 0.00 55.36 57.83 1s78 s GLN 191 Cb -0.65 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 29.95 1s78 s GLN 191 CO 0.55 -0.48 0.33 -1.54 -0.55 0.00 0.00 175.29 173.60 1s78 s SER 192 N 1.54 6.46 0.12 6.67 1.04 -1.26 -4.91 113.70 123.36 1s78 s SER 192 Ca 0.62 0.54 -0.08 0.00 0.48 0.00 0.00 55.95 57.51 1s78 s SER 192 Cb -0.32 -2.20 -0.06 0.00 0.10 0.00 0.00 66.02 63.55 1s78 s SER 192 CO 0.27 0.07 0.41 -0.76 0.98 0.00 0.00 173.24 174.21 1s78 s LEU 193 N 0.59 4.30 0.00 2.42 1.43 -1.26 -4.97 118.68 121.19 1s78 s LEU 193 Ca 0.18 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1s78 s LEU 193 Cb -0.13 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1s78 s LEU 193 CO 0.05 0.11 0.00 0.41 0.23 0.00 0.00 176.35 177.15 1s78 n THR 194 N 0.53 0.00 -0.02 5.49 -1.04 -1.26 -4.86 114.28 113.12 1s78 n THR 194 Ca -0.05 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.90 1s78 n THR 194 Cb 0.52 0.45 -0.02 0.00 -1.82 0.00 0.00 70.33 69.46 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 0.12 0.00 -2.82 0.63 -1.26 -1.60 116.66 111.73 1s78 n ARG 195 Ca 0.00 0.05 0.11 0.00 -0.92 0.00 0.00 57.85 57.09 1s78 n ARG 195 Cb 0.00 -0.70 0.60 0.00 0.45 0.00 0.00 32.46 32.81 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 -3.31 0.18 -1.15 5.15 -2.24 -1.26 -3.06 114.28 108.59 1s78 n THR 196 Ca -0.10 0.05 0.07 0.00 -2.27 0.00 0.00 64.05 61.79 1s78 n THR 196 Cb 0.52 -0.69 0.09 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.15 1.35 -3.43 2.28 3.14 -1.26 -5.06 118.33 114.20 1s78 n VAL 197 Ca 0.13 -1.60 -0.34 0.00 -2.96 0.00 0.00 64.34 59.57 1s78 n VAL 197 Cb 0.13 0.03 -0.06 0.00 -1.06 0.00 0.00 33.84 32.88 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 -1.57 3.34 0.00 0.00 0.00 -1.21 -4.88 121.76 117.45 1s78 s ALA 199 Ca 0.40 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1s78 s ALA 199 Cb -0.13 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1s78 s ALA 199 CO 0.20 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.57 1s78 n GLY 200 N 1.48 0.38 0.00 0.00 0.00 -1.26 -3.63 105.19 102.16 1s78 n GLY 200 Ca -0.02 -0.86 0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.10 3.54 -0.02 0.00 -1.26 -4.96 105.19 101.39 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 3.36 0.57 -2.65 0.00 0.00 -1.92 -3.46 119.26 115.15 1s78 h ALA 203 Ca -0.50 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 53.75 1s78 h ALA 203 Cb 1.42 -0.07 -0.20 0.00 0.00 0.00 0.00 17.79 18.94 1s78 h ALA 203 CO 0.70 0.69 -0.42 1.03 0.00 0.00 0.00 179.25 181.26 1s78 s ARG 204 N -3.99 0.58 0.35 0.00 1.81 -1.26 -4.63 118.95 111.81 1s78 s ARG 204 Ca -0.09 -0.42 -0.02 0.00 -1.72 0.00 0.00 55.73 53.49 1s78 s ARG 204 Cb 0.11 0.25 0.00 0.00 -0.45 0.00 0.00 34.95 34.85 1s78 s ARG 204 CO 0.87 -0.15 0.48 0.00 -0.68 0.00 0.00 175.30 175.81 1s78 n LYS 206 N -0.58 2.57 -3.62 0.00 2.85 -0.20 -4.45 118.16 114.73 1s78 n LYS 206 Ca 0.01 -1.68 0.00 0.00 -1.05 0.00 0.00 58.31 55.59 1s78 n LYS 206 Cb 0.61 -1.08 0.00 0.00 -0.65 0.00 0.00 35.03 33.91 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 -0.67 -2.02 0.16 2.58 0.00 -1.26 -5.04 105.19 98.94 1s78 n GLY 207 Ca 0.03 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 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 0.21 -7.09 1.61 0.13 -1.93 -3.42 132.00 121.50 1s78 h PRO 208 Ca 0.00 -0.16 -0.50 0.00 -0.87 0.00 0.00 66.00 64.48 1s78 h PRO 208 Cb 0.00 0.03 0.06 0.00 0.13 0.00 0.00 31.00 31.22 1s78 h PRO 208 CO 0.00 0.79 0.42 -0.51 -0.23 0.00 0.00 178.00 178.47 1s78 s LEU 209 N -7.79 3.76 0.33 1.56 1.43 -1.26 -3.33 118.68 113.39 1s78 s LEU 209 Ca -0.03 2.12 0.07 0.00 -1.03 0.00 0.00 54.13 55.25 1s78 s LEU 209 Cb 0.12 -4.58 0.75 0.00 0.03 0.00 0.00 46.19 42.51 1s78 s LEU 209 CO 0.80 -1.13 1.85 -0.65 0.23 0.00 0.00 176.35 177.45 1s78 h PRO 210 N 1.26 0.75 0.00 1.29 0.11 -1.90 -0.19 132.00 133.32 1s78 h PRO 210 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1s78 h PRO 210 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1s78 h PRO 210 CO 0.57 0.50 0.00 1.79 -0.21 0.00 0.00 178.00 180.65 1s78 h THR 211 N 0.77 0.00 -0.01 -1.15 1.35 -1.97 -2.65 112.91 109.25 1s78 h THR 211 Ca 0.47 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1s78 h THR 211 Cb 0.68 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1s78 h THR 211 CO -0.24 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.50 1s78 n ASP 212 N -2.82 0.18 -4.78 5.36 10.43 -0.09 -4.69 116.55 120.15 1s78 n ASP 212 Ca 0.01 -1.22 -0.36 0.00 2.57 0.00 0.00 54.79 55.78 1s78 n ASP 212 Cb 0.25 -0.01 -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 -2.66 2.40 0.60 0.00 2.46 -1.25 -4.87 115.29 111.97 1s78 s HIS 215 Ca 0.46 1.40 0.31 0.00 0.47 0.00 0.00 55.06 57.70 1s78 s HIS 215 Cb -0.10 -3.73 1.84 0.00 -0.13 0.00 0.00 32.58 30.46 1s78 s HIS 215 CO 0.43 -2.66 2.20 1.49 -2.47 0.00 0.00 174.74 173.73 1s78 h GLU 216 N 1.62 0.00 -0.01 2.88 4.81 -1.94 -1.31 114.58 120.63 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 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1s78 h GLU 216 CO 0.58 0.00 -0.24 1.04 -0.73 0.00 0.00 179.01 179.66 1s78 n GLN 217 N -3.68 0.82 -1.61 1.92 1.13 -1.26 -4.93 117.38 109.78 1s78 n GLN 217 Ca -0.01 -0.47 -0.29 0.00 -1.94 0.00 0.00 57.00 54.29 1s78 n GLN 217 Cb 0.18 -1.49 0.12 0.00 0.11 0.00 0.00 30.24 29.16 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 -3.60 1.82 0.53 0.00 0.00 0.44 -4.14 120.51 115.56 1s78 n ALA 219 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.57 1s78 n ALA 219 Cb 0.59 0.15 -0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 -1.63 2.93 0.00 0.00 0.00 -1.26 -4.75 120.51 115.80 1s78 n ALA 220 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1s78 n ALA 220 Cb 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 0.97 0.66 3.63 0.00 0.00 -1.26 -4.76 105.19 104.43 1s78 n GLY 221 Ca 0.05 -2.16 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.47 0.00 -0.98 0.00 -2.24 -0.70 -4.72 114.28 105.17 1s78 n THR 223 Ca -0.02 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1s78 n THR 223 Cb 0.61 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 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 0.98 -1.24 0.03 3.38 0.00 -1.26 -5.06 105.19 102.01 1s78 n GLY 224 Ca 0.06 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.06 0.10 -1.49 1.61 -0.04 -1.26 -4.59 135.00 129.27 1s78 n PRO 225 Ca 0.00 0.05 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 1s78 n PRO 225 Cb 0.00 -1.59 0.16 0.00 -0.04 0.00 0.00 33.50 32.03 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 -3.05 0.66 0.00 0.54 1.02 -1.26 -3.81 119.74 113.84 1s78 s LYS 226 Ca 0.11 0.16 0.19 0.00 0.02 0.00 0.00 55.97 56.45 1s78 s LYS 226 Cb 0.16 -1.80 0.72 0.00 -0.52 0.00 0.00 37.83 36.40 1s78 s LYS 226 CO 0.63 -2.50 1.52 -2.39 -0.92 0.00 0.00 175.35 171.69 1s78 n HIS 227 N -3.95 0.22 0.19 3.18 1.44 -1.26 -3.30 115.22 111.74 1s78 n HIS 227 Ca 0.09 -0.11 0.09 0.00 -2.01 0.00 0.00 57.72 55.78 1s78 n HIS 227 Cb 0.59 0.00 0.18 0.00 0.12 0.00 0.00 29.99 30.88 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 0.25 3.10 -0.82 4.39 3.41 -1.26 -2.25 113.62 120.44 1s78 n SER 228 Ca 0.15 -1.90 0.07 0.00 -0.26 0.00 0.00 58.87 56.93 1s78 n SER 228 Cb 0.30 -0.21 0.20 0.00 -0.26 0.00 0.00 64.21 64.24 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 1.13 3.35 -4.77 4.04 8.00 -1.21 -4.99 116.55 122.11 1s78 n ASP 229 Ca 0.16 -2.25 -0.39 0.00 0.71 0.00 0.00 54.79 53.02 1s78 n ASP 229 Cb 0.51 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.25 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 2.67 0.00 -7.00 0.00 3.38 -1.59 -3.47 115.31 109.31 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 1.24 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.78 1s78 h LEU 231 CO 0.63 0.05 0.34 0.00 0.09 0.00 0.00 178.44 179.55 1s78 s ALA 232 N -3.31 -1.84 -0.06 1.53 0.00 -1.26 -4.82 121.76 112.01 1s78 s ALA 232 Ca 0.05 1.41 -0.17 0.00 0.00 0.00 0.00 51.96 53.26 1s78 s ALA 232 Cb 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1s78 s ALA 232 CO 0.65 -0.35 0.45 0.00 0.00 0.00 0.00 175.76 176.50 1s78 h LEU 234 N 5.77 0.58 0.00 0.00 6.46 -1.44 -3.44 115.31 123.24 1s78 h LEU 234 Ca -0.46 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.02 1s78 h LEU 234 Cb 1.20 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.97 1s78 h LEU 234 CO 0.69 0.72 0.00 1.41 -0.62 0.00 0.00 178.44 180.64 1s78 n HIS 235 N -4.54 0.00 -4.24 1.25 8.25 -1.26 -5.04 115.22 109.64 1s78 n HIS 235 Ca -0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.26 1s78 n HIS 235 Cb 0.25 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.29 1.42 -0.67 4.41 0.40 -0.36 -4.58 117.98 118.31 1s78 s PHE 236 Ca 0.00 -0.52 -0.10 0.00 -0.60 0.00 0.00 56.93 55.71 1s78 s PHE 236 Cb 0.00 -0.75 0.17 0.00 0.51 0.00 0.00 43.02 42.95 1s78 s PHE 236 CO 0.00 0.14 0.56 1.21 0.70 0.00 0.00 175.22 177.83 1s78 s ASN 237 N -2.28 6.03 -1.13 1.36 2.47 -0.75 -1.37 114.94 119.27 1s78 s ASN 237 Ca 0.07 -2.51 -0.18 0.00 0.42 0.00 0.00 52.86 50.66 1s78 s ASN 237 Cb -0.06 -2.06 0.11 0.00 -1.45 0.00 0.00 41.25 37.79 1s78 s ASN 237 CO 0.03 -0.56 1.44 -2.28 -3.72 0.00 0.00 177.10 172.02 1s78 s HIS 238 N 0.45 3.03 -1.49 0.43 5.65 1.00 -2.68 115.29 121.67 1s78 s HIS 238 Ca 0.14 -1.57 -0.06 0.00 0.25 0.00 0.00 55.06 53.82 1s78 s HIS 238 Cb -0.18 -4.50 0.05 0.00 -1.18 0.00 0.00 32.58 26.77 1s78 s HIS 238 CO -0.05 -1.63 0.55 0.43 -0.65 0.00 0.00 174.74 173.39 1s78 n SER 239 N 7.22 -1.38 0.00 9.88 7.64 -1.26 -1.81 113.62 133.91 1s78 n SER 239 Ca 0.36 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1s78 n SER 239 Cb 0.47 -3.03 0.00 0.00 -1.01 0.00 0.00 64.21 60.64 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 -1.82 2.85 3.61 0.23 0.00 -1.26 -5.07 105.19 103.73 1s78 n GLY 240 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.59 4.37 -0.12 -0.61 1.09 -0.75 -4.57 121.20 118.02 1s78 s ILE 241 Ca 0.00 -0.20 -0.24 0.00 -1.10 0.00 0.00 60.65 59.11 1s78 s ILE 241 Cb 0.00 -2.91 -0.03 0.00 -1.06 0.00 0.00 42.46 38.46 1s78 s ILE 241 CO 0.00 0.52 0.74 0.00 -0.10 0.00 0.00 174.94 176.10 1s78 s GLU 243 N 1.47 1.38 0.03 0.00 2.02 -0.47 -4.88 118.70 118.25 1s78 s GLU 243 Ca 0.36 -1.76 -0.05 0.00 0.02 0.00 0.00 54.97 53.55 1s78 s GLU 243 Cb -0.17 0.11 -0.29 0.00 0.10 0.00 0.00 34.13 33.89 1s78 s GLU 243 CO 0.15 -0.42 0.96 1.25 0.02 0.00 0.00 175.26 177.22 1s78 h LEU 244 N 2.44 0.44 -8.80 1.80 5.85 -1.95 -0.94 115.31 114.14 1s78 h LEU 244 Ca -0.34 -0.55 -0.34 0.00 0.84 0.00 0.00 57.88 57.49 1s78 h LEU 244 Cb 1.25 -0.14 -0.14 0.00 0.37 0.00 0.00 40.66 41.99 1s78 h LEU 244 CO 0.52 1.44 -0.58 -1.00 -0.34 0.00 0.00 178.44 178.48 1s78 s HIS 245 N -2.63 1.44 -0.04 1.25 3.76 -1.26 -4.60 115.29 113.20 1s78 s HIS 245 Ca -0.07 -1.37 -0.09 0.00 -0.15 0.00 0.00 55.06 53.37 1s78 s HIS 245 Cb 0.07 -0.74 -0.05 0.00 1.11 0.00 0.00 32.58 32.97 1s78 s HIS 245 CO 0.87 -0.57 0.25 0.00 -0.85 0.00 0.00 174.74 174.44 1s78 n PRO 247 N 1.62 0.74 -1.56 0.00 -0.04 -1.26 -4.87 135.00 129.63 1s78 n PRO 247 Ca -0.15 0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 63.18 1s78 n PRO 247 Cb 0.54 -1.86 0.03 0.00 -0.04 0.00 0.00 33.50 32.16 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 2.72 -0.30 0.84 0.55 0.00 -1.26 -2.06 120.51 121.00 1s78 n ALA 248 Ca 0.21 0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.84 1s78 n ALA 248 Cb 0.13 -2.00 0.46 0.00 0.00 0.00 0.00 19.45 18.04 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 0.23 0.00 -3.68 0.00 4.77 -1.26 -3.79 117.00 113.27 1s78 n LEU 249 Ca 0.11 0.33 -0.12 0.00 -0.03 0.00 0.00 56.01 56.30 1s78 n LEU 249 Cb 0.43 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 1s78 n LEU 249 CO 0.53 -0.12 0.24 0.54 -1.33 0.00 0.00 177.39 177.25 1s78 s VAL 250 N -2.65 -0.00 -0.15 4.08 0.11 -1.26 -2.01 120.40 118.51 1s78 s VAL 250 Ca 0.16 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.12 1s78 s VAL 250 Cb 0.12 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 34.13 1s78 s VAL 250 CO 0.29 0.00 0.18 -0.89 -3.33 0.00 0.00 175.10 171.36 1s78 s THR 251 N 0.60 5.41 0.29 5.04 2.01 0.61 -4.81 115.64 124.78 1s78 s THR 251 Ca -0.02 0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.34 1s78 s THR 251 Cb -0.05 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 1s78 s THR 251 CO -0.03 0.52 0.25 -0.31 -0.69 0.00 0.00 174.62 174.35 1s78 s TYR 252 N -0.29 3.04 -0.04 4.92 1.51 -1.26 -1.76 117.35 123.47 1s78 s TYR 252 Ca 0.13 -0.19 -0.03 0.00 -1.01 0.00 0.00 57.07 55.97 1s78 s TYR 252 Cb -0.12 -1.58 -0.27 0.00 -0.11 0.00 0.00 41.96 39.88 1s78 s TYR 252 CO 0.02 0.37 0.70 -0.97 -1.11 0.00 0.00 175.55 174.57 1s78 h ASN 253 N 1.37 0.38 0.00 2.29 -0.73 -1.70 -3.48 115.58 113.70 1s78 h ASN 253 Ca -0.47 -0.62 0.00 0.00 1.87 0.00 0.00 56.30 57.08 1s78 h ASN 253 Cb 1.25 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.71 1s78 h ASN 253 CO 0.60 1.53 0.00 0.41 -0.37 0.00 0.00 177.43 179.59 1s78 n THR 254 N -3.43 0.00 -0.03 -3.57 -1.04 -1.26 -4.65 114.28 100.30 1s78 n THR 254 Ca -0.21 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.74 1s78 n THR 254 Cb 1.05 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.54 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 0.71 0.06 8.00 9.92 -1.26 -4.73 116.55 129.25 1s78 n ASP 255 Ca 0.00 0.07 0.01 0.00 -0.53 0.00 0.00 54.79 54.34 1s78 n ASP 255 Cb 0.00 -0.17 -0.05 0.00 -0.64 0.00 0.00 41.12 40.26 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 -0.20 0.59 -6.45 -3.53 2.02 -2.00 -3.48 112.91 99.86 1s78 h THR 256 Ca -0.15 -2.03 -0.50 0.00 0.77 0.00 0.00 66.41 64.50 1s78 h THR 256 Cb 1.14 2.12 -0.08 0.00 -1.74 0.00 0.00 68.15 69.59 1s78 h THR 256 CO -0.09 0.33 -0.80 0.49 0.37 0.00 0.00 175.52 175.82 1s78 n PHE 257 N -2.97 -2.02 -3.75 3.16 3.01 -1.26 -4.98 117.46 108.64 1s78 n PHE 257 Ca -0.06 0.85 -0.33 0.00 1.01 0.00 0.00 57.45 58.92 1s78 n PHE 257 Cb 0.80 -3.67 -0.05 0.00 -0.01 0.00 0.00 39.48 36.55 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 -6.66 3.59 -0.13 -1.08 -6.30 -1.26 -4.78 118.70 102.08 1s78 s GLU 258 Ca 0.56 -0.10 0.02 0.00 -2.50 0.00 0.00 54.97 52.94 1s78 s GLU 258 Cb -0.29 -3.01 0.00 0.00 0.00 0.00 0.00 34.13 30.83 1s78 s GLU 258 CO 0.87 0.60 -0.19 -1.54 0.02 0.00 0.00 175.26 175.01 1s78 s SER 259 N -1.97 3.37 0.36 -1.70 1.04 -1.26 -2.00 113.70 111.54 1s78 s SER 259 Ca 0.32 -0.52 -0.14 0.00 0.48 0.00 0.00 55.95 56.09 1s78 s SER 259 Cb -0.13 -1.49 -0.08 0.00 0.10 0.00 0.00 66.02 64.42 1s78 s SER 259 CO 0.20 0.11 0.76 -0.04 0.98 0.00 0.00 173.24 175.25 1s78 s MET 260 N 0.66 3.95 0.38 4.02 -1.94 -0.72 -4.90 119.30 120.75 1s78 s MET 260 Ca -0.10 0.64 -0.27 0.00 -1.71 0.00 0.00 55.69 54.26 1s78 s MET 260 Cb -0.16 -2.40 -0.10 0.00 2.01 0.00 0.00 34.83 34.19 1s78 s MET 260 CO 0.02 0.08 1.36 -1.25 -0.01 0.00 0.00 175.02 175.21 1s78 s PRO 261 N -3.27 4.07 -0.39 2.03 0.04 -1.26 -0.29 135.00 135.94 1s78 s PRO 261 Ca 0.54 2.29 -0.13 0.00 0.04 0.00 0.00 61.00 63.73 1s78 s PRO 261 Cb -0.10 -2.87 0.02 0.00 0.04 0.00 0.00 34.50 31.58 1s78 s PRO 261 CO 0.21 -0.46 0.26 1.21 0.04 0.00 0.00 177.00 178.27 1s78 s ASN 262 N -0.52 5.97 0.57 6.66 2.47 -0.85 -4.67 114.94 124.57 1s78 s ASN 262 Ca 0.54 -0.84 0.30 0.00 0.42 0.00 0.00 52.86 53.28 1s78 s ASN 262 Cb -0.41 -2.11 1.72 0.00 -1.45 0.00 0.00 41.25 39.00 1s78 s ASN 262 CO 0.54 -0.39 2.19 1.55 -3.72 0.00 0.00 177.10 177.27 1s78 h PRO 263 N 8.54 0.00 0.00 0.43 0.13 -1.91 -0.86 132.00 138.32 1s78 h PRO 263 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1s78 h PRO 263 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1s78 h PRO 263 CO 0.69 0.04 -0.07 0.39 -0.23 0.00 0.00 178.00 178.83 1s78 n GLU 264 N -3.73 0.10 -1.81 0.86 -0.58 -1.26 -4.94 120.64 109.28 1s78 n GLU 264 Ca -0.03 0.08 -0.38 0.00 -0.42 0.00 0.00 57.16 56.41 1s78 n GLU 264 Cb 0.14 -1.61 0.04 0.00 -0.57 0.00 0.00 31.44 29.44 1s78 n GLU 264 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1s78 s GLY 265 N -3.22 2.88 0.16 0.62 0.00 -0.33 -4.81 107.32 102.61 1s78 s GLY 265 Ca 0.12 1.31 0.02 0.00 0.00 0.00 0.00 44.72 46.17 1s78 s GLY 265 CO 0.57 1.82 -0.03 0.50 0.00 0.00 0.00 173.10 175.97 1s78 s ARG 266 N -2.90 1.06 0.01 2.90 1.81 -0.88 -4.82 118.95 116.15 1s78 s ARG 266 Ca 0.71 -1.49 0.00 0.00 -1.72 0.00 0.00 55.73 53.23 1s78 s ARG 266 Cb -0.40 -0.34 -0.04 0.00 -0.45 0.00 0.00 34.95 33.73 1s78 s ARG 266 CO 0.47 -0.07 0.08 0.71 -0.68 0.00 0.00 175.30 175.81 1s78 s TYR 267 N -3.58 3.27 -0.25 -0.53 1.51 0.15 -4.63 117.35 113.29 1s78 s TYR 267 Ca 0.21 0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 56.15 1s78 s TYR 267 Cb 0.05 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.20 1s78 s TYR 267 CO 0.02 0.54 1.08 0.95 -1.11 0.00 0.00 175.55 177.03 1s78 s THR 268 N -1.24 4.58 -0.17 -0.71 -4.23 -0.85 -0.15 115.64 112.86 1s78 s THR 268 Ca 0.24 1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 62.62 1s78 s THR 268 Cb -0.12 -4.31 0.05 0.00 1.34 0.00 0.00 72.50 69.45 1s78 s THR 268 CO 0.16 -0.28 -0.03 0.12 -0.54 0.00 0.00 174.62 174.05 1s78 s PHE 269 N 3.40 1.57 0.00 3.99 5.36 -0.63 -2.54 117.98 129.13 1s78 s PHE 269 Ca 0.46 -1.04 0.00 0.00 -0.96 0.00 0.00 56.93 55.38 1s78 s PHE 269 Cb -0.15 -1.25 0.00 0.00 -0.34 0.00 0.00 43.02 41.28 1s78 s PHE 269 CO 0.10 -0.61 0.00 0.41 -1.46 0.00 0.00 175.22 173.66 1s78 n GLY 270 N 4.91 2.55 1.16 13.12 0.00 -1.26 -1.65 105.19 124.01 1s78 n GLY 270 Ca -0.11 0.32 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 11.12 4.15 -3.17 4.61 0.00 -1.26 -5.01 120.51 130.94 1s78 n ALA 271 Ca 0.00 -3.47 -0.13 0.00 0.00 0.00 0.00 53.44 49.84 1s78 n ALA 271 Cb 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 19.45 19.00 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 -3.36 -0.23 0.33 0.00 1.04 -0.66 -1.81 113.70 109.00 1s78 s SER 272 Ca 0.43 0.37 -0.27 0.00 0.48 0.00 0.00 55.95 56.96 1s78 s SER 272 Cb 0.38 0.47 -0.09 0.00 0.10 0.00 0.00 66.02 66.88 1s78 s SER 272 CO -0.03 -0.20 1.01 0.00 0.98 0.00 0.00 173.24 175.00 1s78 s VAL 274 N -1.48 -0.03 0.19 0.00 1.01 0.79 -4.66 120.40 116.21 1s78 s VAL 274 Ca 0.50 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 1s78 s VAL 274 Cb -0.24 -0.08 0.11 0.00 0.00 0.00 0.00 36.38 36.17 1s78 s VAL 274 CO 0.30 0.04 1.80 0.74 0.00 0.00 0.00 175.10 177.98 1s78 h THR 275 N 5.69 1.21 -3.02 3.92 2.02 -1.87 0.44 112.91 121.29 1s78 h THR 275 Ca -0.35 -0.54 -0.15 0.00 0.77 0.00 0.00 66.41 66.14 1s78 h THR 275 Cb 1.17 0.37 -0.25 0.00 -1.74 0.00 0.00 68.15 67.69 1s78 h THR 275 CO 0.48 0.23 -0.37 0.00 0.37 0.00 0.00 175.52 176.23 1s78 s ALA 276 N -5.82 -0.73 0.34 6.16 0.00 -1.26 -4.64 121.76 115.82 1s78 s ALA 276 Ca -0.13 0.84 -0.28 0.00 0.00 0.00 0.00 51.96 52.39 1s78 s ALA 276 Cb 0.14 -0.49 -0.12 0.00 0.00 0.00 0.00 23.12 22.65 1s78 s ALA 276 CO 0.79 -0.14 1.33 0.00 0.00 0.00 0.00 175.76 177.74 1s78 n PRO 278 N 0.67 -2.72 -0.17 0.00 -0.02 -1.26 -4.82 135.00 126.68 1s78 n PRO 278 Ca 0.05 -0.77 -0.11 0.00 -2.02 0.00 0.00 63.50 60.65 1s78 n PRO 278 Cb 0.36 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.63 1s78 n PRO 278 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1s78 h TYR 279 N -2.79 -1.42 -0.00 6.00 3.20 -2.00 -2.36 116.97 117.60 1s78 h TYR 279 Ca -0.63 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.31 1s78 h TYR 279 Cb 1.34 0.68 0.00 0.00 1.54 0.00 0.00 36.73 40.29 1s78 h TYR 279 CO 0.19 -0.37 -0.00 -1.71 -1.64 0.00 0.00 178.16 174.62 1s78 n ASN 280 N -4.85 0.04 -4.97 -2.11 5.15 -1.26 -4.89 115.26 102.37 1s78 n ASN 280 Ca -0.02 -0.64 -0.22 0.00 -0.60 0.00 0.00 54.58 53.10 1s78 n ASN 280 Cb 0.26 -0.12 0.03 0.00 -0.53 0.00 0.00 39.78 39.42 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 -2.25 2.99 -0.14 1.20 1.51 -0.89 -4.96 117.35 114.81 1s78 s TYR 281 Ca 0.39 0.07 0.02 0.00 -1.01 0.00 0.00 57.07 56.54 1s78 s TYR 281 Cb 0.21 -2.59 0.01 0.00 -0.11 0.00 0.00 41.96 39.49 1s78 s TYR 281 CO 0.41 -0.68 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.46 1s78 s LEU 282 N -4.68 2.04 0.73 -1.29 1.43 0.10 -4.80 118.68 112.21 1s78 s LEU 282 Ca 0.54 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 1s78 s LEU 282 Cb -0.10 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.76 1s78 s LEU 282 CO 0.38 0.05 1.10 -0.94 0.23 0.00 0.00 176.35 177.17 1s78 s SER 283 N 0.97 4.75 -0.02 2.29 1.04 -1.26 -0.52 113.70 120.95 1s78 s SER 283 Ca -0.04 1.89 0.01 0.00 0.48 0.00 0.00 55.95 58.30 1s78 s SER 283 Cb -0.15 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.45 1s78 s SER 283 CO -0.05 -1.87 -0.04 -0.89 0.98 0.00 0.00 173.24 171.37 1s78 s THR 284 N -2.68 0.41 0.01 2.02 2.01 -0.62 -2.12 115.64 114.67 1s78 s THR 284 Ca 0.63 -0.15 0.16 0.00 0.31 0.00 0.00 61.69 62.65 1s78 s THR 284 Cb -0.18 -0.39 0.16 0.00 0.01 0.00 0.00 72.50 72.10 1s78 s THR 284 CO 0.50 0.15 1.43 0.44 -0.69 0.00 0.00 174.62 176.45 1s78 h ASP 285 N 6.50 0.00 -0.02 3.53 3.32 -1.90 0.42 116.42 128.27 1s78 h ASP 285 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1s78 h ASP 285 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1s78 h ASP 285 CO 0.49 0.00 -0.23 0.55 -1.72 0.00 0.00 179.24 178.33 1s78 n VAL 286 N -2.16 0.00 -0.00 -1.35 3.14 -1.26 -4.97 118.33 111.73 1s78 n VAL 286 Ca -0.01 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 1s78 n VAL 286 Cb 0.26 1.35 0.00 0.00 -1.06 0.00 0.00 33.84 34.39 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 1.31 1.71 3.47 7.55 0.00 0.14 -5.01 105.19 114.36 1s78 n GLY 287 Ca 0.11 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 2.47 -0.16 1.61 1.04 -1.25 -2.01 113.70 113.39 1s78 s SER 288 Ca 0.00 -1.51 0.01 0.00 0.48 0.00 0.00 55.95 54.93 1s78 s SER 288 Cb 0.00 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.34 1s78 s SER 288 CO 0.00 -0.76 -0.19 0.00 0.98 0.00 0.00 173.24 173.27 1s78 n THR 290 N 4.55 0.00 0.33 0.00 -2.24 0.32 -4.86 114.28 112.38 1s78 n THR 290 Ca -0.20 -2.23 0.03 0.00 -2.27 0.00 0.00 64.05 59.39 1s78 n THR 290 Cb 0.50 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.80 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 0.64 -3.74 3.22 4.77 -1.26 0.00 117.00 120.63 1s78 n LEU 291 Ca 0.06 -0.62 -0.21 0.00 -0.03 0.00 0.00 56.01 55.21 1s78 n LEU 291 Cb 0.56 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.47 1s78 n LEU 291 CO 0.29 0.14 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.43 1s78 s VAL 292 N -1.42 0.19 0.33 4.08 1.01 -1.26 -5.00 120.40 118.34 1s78 s VAL 292 Ca 0.04 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 1s78 s VAL 292 Cb 0.06 -0.38 -0.12 0.00 0.00 0.00 0.00 36.38 35.94 1s78 s VAL 292 CO 0.24 0.22 1.49 0.00 0.00 0.00 0.00 175.10 177.05 1s78 s PRO 294 N -1.39 0.15 0.44 0.00 0.04 -1.26 -4.88 135.00 128.10 1s78 s PRO 294 Ca 0.58 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.30 1s78 s PRO 294 Cb -0.51 -1.67 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 1s78 s PRO 294 CO 0.57 -3.03 1.37 -1.17 0.04 0.00 0.00 177.00 174.79 1s78 s LEU 295 N -6.76 4.13 -0.01 -3.56 2.96 -1.26 -1.87 118.68 112.32 1s78 s LEU 295 Ca 0.66 2.80 0.00 0.00 -0.22 0.00 0.00 54.13 57.37 1s78 s LEU 295 Cb -0.22 -3.95 0.00 0.00 0.50 0.00 0.00 46.19 42.52 1s78 s LEU 295 CO 0.61 -1.07 0.00 1.41 -1.32 0.00 0.00 176.35 175.98 1s78 n HIS 296 N -0.12 0.00 -4.16 5.38 8.25 -1.26 -5.00 115.22 118.31 1s78 n HIS 296 Ca 0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.26 1s78 n HIS 296 Cb 0.43 -1.14 -0.07 0.00 1.12 0.00 0.00 29.99 30.33 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 -2.01 4.40 -0.05 0.41 -0.87 -0.78 -2.21 114.94 113.84 1s78 s ASN 297 Ca 0.00 -1.06 -0.12 0.00 -1.57 0.00 0.00 52.86 50.12 1s78 s ASN 297 Cb 0.00 -0.50 0.02 0.00 -0.02 0.00 0.00 41.25 40.75 1s78 s ASN 297 CO 0.00 -0.49 0.27 -1.58 -2.57 0.00 0.00 177.10 172.73 1s78 s GLN 298 N -3.88 0.51 -0.14 -0.60 0.74 0.44 -4.79 119.66 111.95 1s78 s GLN 298 Ca 0.40 0.00 -0.29 0.00 0.05 0.00 0.00 55.36 55.52 1s78 s GLN 298 Cb 0.03 0.23 -0.01 0.00 1.10 0.00 0.00 33.01 34.36 1s78 s GLN 298 CO 0.22 -0.12 1.12 -2.00 -0.55 0.00 0.00 175.29 173.97 1s78 s GLU 299 N -0.77 4.32 -0.02 1.67 2.12 -1.26 -0.84 118.70 123.93 1s78 s GLU 299 Ca -0.09 1.51 0.03 0.00 0.36 0.00 0.00 54.97 56.79 1s78 s GLU 299 Cb -0.04 -3.62 -0.00 0.00 0.26 0.00 0.00 34.13 30.72 1s78 s GLU 299 CO 0.02 -0.52 -0.10 0.14 -0.54 0.00 0.00 175.26 174.25 1s78 s VAL 300 N 2.73 0.85 -1.01 3.70 -7.23 0.36 -4.95 120.40 114.85 1s78 s VAL 300 Ca 0.50 -0.44 -0.23 0.00 -1.81 0.00 0.00 61.98 60.01 1s78 s VAL 300 Cb -0.20 -0.73 0.00 0.00 0.56 0.00 0.00 36.38 36.02 1s78 s VAL 300 CO 0.15 0.25 1.71 -0.89 -0.31 0.00 0.00 175.10 176.01 1s78 s THR 301 N -0.09 3.72 1.35 5.32 2.01 -1.26 -2.03 115.64 124.65 1s78 s THR 301 Ca 0.01 -0.71 -0.21 0.00 0.31 0.00 0.00 61.69 61.10 1s78 s THR 301 Cb -0.06 -4.61 0.34 0.00 0.01 0.00 0.00 72.50 68.18 1s78 s THR 301 CO -0.00 -1.48 0.98 0.00 -0.69 0.00 0.00 174.62 173.44 1s78 s ALA 302 N 7.42 -0.39 -2.00 7.40 0.00 -0.91 -4.84 121.76 128.44 1s78 s ALA 302 Ca 0.58 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.81 1s78 s ALA 302 Cb -0.02 -2.95 0.39 0.00 0.00 0.00 0.00 23.12 20.53 1s78 s ALA 302 CO -0.03 -4.29 0.79 0.39 0.00 0.00 0.00 175.76 172.62 1s78 n GLU 303 N -5.36 0.30 0.00 0.00 1.02 -1.26 -3.04 120.64 112.30 1s78 n GLU 303 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1s78 n GLU 303 Cb 0.59 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 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 -0.84 0.00 0.00 1.62 10.43 -1.26 -5.02 116.55 121.47 1s78 n ASP 304 Ca 0.05 0.02 0.00 0.00 2.57 0.00 0.00 54.79 57.43 1s78 n ASP 304 Cb 0.02 -0.10 0.00 0.00 1.84 0.00 0.00 41.12 42.89 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 2.33 0.00 3.77 0.44 0.00 -1.17 -5.14 105.19 105.42 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 2.14 0.46 2.61 2.01 -1.26 -4.77 115.64 116.82 1s78 s THR 306 Ca 0.00 0.13 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 1s78 s THR 306 Cb 0.00 -3.08 -0.09 0.00 0.01 0.00 0.00 72.50 69.34 1s78 s THR 306 CO 0.00 0.02 0.93 -1.10 -0.69 0.00 0.00 174.62 173.78 1s78 s GLN 307 N -2.32 4.04 -0.14 4.92 -1.52 -1.26 -2.15 119.66 121.23 1s78 s GLN 307 Ca 0.58 0.94 -0.29 0.00 -1.95 0.00 0.00 55.36 54.65 1s78 s GLN 307 Cb -0.44 -2.20 0.07 0.00 -0.22 0.00 0.00 33.01 30.22 1s78 s GLN 307 CO 0.57 -0.12 0.72 0.50 -0.25 0.00 0.00 175.29 176.71 1s78 s ARG 308 N -3.62 0.94 -0.69 2.91 3.52 -0.86 -4.43 118.95 116.72 1s78 s ARG 308 Ca 0.59 0.53 -0.17 0.00 -0.13 0.00 0.00 55.73 56.54 1s78 s ARG 308 Cb -0.10 0.45 0.14 0.00 -1.56 0.00 0.00 34.95 33.88 1s78 s ARG 308 CO 0.23 -0.23 0.75 0.00 -0.81 0.00 0.00 175.30 175.24 1s78 s GLU 310 N 1.94 3.51 0.64 0.00 -1.05 -0.02 -4.11 118.70 119.61 1s78 s GLU 310 Ca 0.15 -0.39 -0.17 0.00 -0.15 0.00 0.00 54.97 54.41 1s78 s GLU 310 Cb -0.19 -2.83 -0.01 0.00 -0.44 0.00 0.00 34.13 30.66 1s78 s GLU 310 CO -0.00 0.38 1.20 0.15 0.95 0.00 0.00 175.26 177.95 1s78 s LYS 311 N -3.47 2.73 -0.26 -4.83 1.02 -1.26 -0.42 119.74 113.25 1s78 s LYS 311 Ca 0.38 1.79 -0.10 0.00 0.02 0.00 0.00 55.97 58.06 1s78 s LYS 311 Cb -0.11 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 1s78 s LYS 311 CO 0.30 -1.39 0.15 0.00 -0.92 0.00 0.00 175.35 173.49 1s78 n SER 313 N 4.85 0.00 -4.22 0.00 7.64 -1.26 -4.76 113.62 115.86 1s78 n SER 313 Ca -0.15 0.57 -0.34 0.00 1.01 0.00 0.00 58.87 59.97 1s78 n SER 313 Cb 0.52 -0.07 0.15 0.00 -1.01 0.00 0.00 64.21 63.79 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 -0.72 -1.31 -1.75 1.43 5.02 -1.26 -4.93 118.16 114.65 1s78 n LYS 314 Ca 0.00 -0.37 -0.39 0.00 -2.02 0.00 0.00 58.31 55.53 1s78 n LYS 314 Cb 0.00 -1.57 0.04 0.00 -0.02 0.00 0.00 35.03 33.48 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 -1.22 1.82 -1.86 1.97 -0.02 -1.26 -4.93 135.00 129.50 1s78 n PRO 315 Ca 0.00 0.66 -0.40 0.00 -2.02 0.00 0.00 63.50 61.74 1s78 n PRO 315 Cb 0.65 -2.59 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.20 2.92 0.62 0.00 0.00 -1.26 -4.96 121.76 117.88 1s78 s ALA 317 Ca 0.59 1.04 -0.16 0.00 0.00 0.00 0.00 51.96 53.42 1s78 s ALA 317 Cb -0.43 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 1s78 s ALA 317 CO 0.56 -0.85 1.11 -0.98 0.00 0.00 0.00 175.76 175.60 1s78 s ARG 318 N -2.77 2.99 0.02 0.00 3.03 -1.26 -5.03 118.95 115.92 1s78 s ARG 318 Ca 0.66 1.46 0.00 0.00 2.03 0.00 0.00 55.73 59.88 1s78 s ARG 318 Cb -0.32 -1.97 -0.02 0.00 -1.03 0.00 0.00 34.95 31.62 1s78 s ARG 318 CO 0.38 -1.11 -0.02 0.08 -1.13 0.00 0.00 175.30 173.49 1s78 s VAL 319 N -2.16 0.10 -0.35 4.99 1.01 -1.26 -5.12 120.40 117.61 1s78 s VAL 319 Ca 0.69 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 1s78 s VAL 319 Cb -0.21 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1s78 s VAL 319 CO 0.37 -0.37 0.86 0.00 0.00 0.00 0.00 175.10 175.95 1s78 s TYR 321 N 3.26 3.71 0.00 0.00 2.02 -1.26 0.25 117.35 125.33 1s78 s TYR 321 Ca 0.35 1.24 0.00 0.00 -0.37 0.00 0.00 57.07 58.29 1s78 s TYR 321 Cb -0.13 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 38.94 1s78 s TYR 321 CO 0.17 0.48 0.00 0.41 -1.57 0.00 0.00 175.55 175.04 1s78 n GLY 322 N 1.19 3.08 3.77 0.71 0.00 0.21 -4.81 105.19 109.35 1s78 n GLY 322 Ca -0.07 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 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 4.12 -0.04 0.99 1.43 0.11 -2.66 118.68 122.62 1s78 s LEU 323 Ca 0.00 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 1s78 s LEU 323 Cb 0.00 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 42.08 1s78 s LEU 323 CO 0.00 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 176.50 1s78 n GLY 324 N 0.48 0.47 2.93 -3.19 0.00 0.83 -2.28 105.19 104.44 1s78 n GLY 324 Ca 0.05 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.61 0.70 1.95 1.61 0.00 -1.09 -4.60 119.30 117.26 1s78 s MET 325 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 55.69 55.53 1s78 s MET 325 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 34.83 34.13 1s78 s MET 325 CO 0.00 0.01 0.00 0.39 0.00 0.00 0.00 175.02 175.42 1s78 n GLU 326 N 3.57 0.00 0.00 4.11 -0.58 -1.26 -0.85 120.64 125.63 1s78 n GLU 326 Ca -0.21 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.60 1s78 n GLU 326 Cb 0.53 0.00 0.39 0.00 -0.57 0.00 0.00 31.44 31.79 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 -1.24 -0.32 1.44 -1.26 -0.49 115.22 127.35 1s78 n HIS 327 Ca 0.00 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.79 1s78 n HIS 327 Cb 0.00 -0.05 0.18 0.00 0.12 0.00 0.00 29.99 30.24 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 -1.05 2.78 -0.30 2.39 4.77 -0.03 -4.80 117.00 120.76 1s78 n LEU 328 Ca 0.09 -3.36 0.05 0.00 -0.03 0.00 0.00 56.01 52.76 1s78 n LEU 328 Cb 0.06 -0.49 0.26 0.00 -2.33 0.00 0.00 43.42 40.92 1s78 n LEU 328 CO 0.08 0.94 1.24 -0.09 -1.33 0.00 0.00 177.39 178.24 1s78 h ARG 329 N 0.57 0.95 -0.19 3.23 2.43 -0.60 0.24 114.38 121.01 1s78 h ARG 329 Ca 0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1s78 h ARG 329 Cb 1.11 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1s78 h ARG 329 CO 0.06 0.63 0.00 0.39 -1.51 0.00 0.00 179.97 179.54 1s78 n GLU 330 N -4.51 1.80 -2.74 0.20 -0.58 -1.26 -3.64 120.64 109.91 1s78 n GLU 330 Ca 0.14 -1.77 -0.42 0.00 -0.42 0.00 0.00 57.16 54.70 1s78 n GLU 330 Cb 0.24 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 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 -1.25 4.82 0.12 2.62 1.01 -1.09 -4.96 120.40 121.67 1s78 s VAL 331 Ca 0.24 1.94 -0.05 0.00 0.00 0.00 0.00 61.98 64.12 1s78 s VAL 331 Cb 0.15 -4.27 -0.21 0.00 0.00 0.00 0.00 36.38 32.05 1s78 s VAL 331 CO 0.22 0.03 1.26 0.08 0.00 0.00 0.00 175.10 176.69 1s78 h ARG 332 N 7.09 0.38 -3.51 2.72 0.11 -1.93 -3.40 114.38 115.84 1s78 h ARG 332 Ca -0.32 -0.46 -0.06 0.00 0.10 0.00 0.00 59.98 59.24 1s78 h ARG 332 Cb 1.15 0.14 -0.13 0.00 1.11 0.00 0.00 29.97 32.25 1s78 h ARG 332 CO 0.84 1.14 -0.14 0.00 0.10 0.00 0.00 179.97 181.91 1s78 s ALA 333 N -3.12 -0.71 0.14 0.08 0.00 -1.26 -4.74 121.76 112.15 1s78 s ALA 333 Ca -0.05 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.33 1s78 s ALA 333 Cb 0.08 0.69 -0.09 0.00 0.00 0.00 0.00 23.12 23.80 1s78 s ALA 333 CO 0.87 -0.64 1.51 0.08 0.00 0.00 0.00 175.76 177.58 1s78 s VAL 334 N -3.84 2.91 0.30 0.00 1.01 -0.29 -4.98 120.40 115.51 1s78 s VAL 334 Ca 0.05 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1s78 s VAL 334 Cb 0.02 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1s78 s VAL 334 CO -0.09 0.04 0.14 0.42 0.00 0.00 0.00 175.10 175.61 1s78 s THR 335 N 1.25 0.44 0.08 3.92 -4.23 -1.26 -4.47 115.64 111.38 1s78 s THR 335 Ca 0.68 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.44 1s78 s THR 335 Cb -0.41 -2.54 0.24 0.00 1.34 0.00 0.00 72.50 71.13 1s78 s THR 335 CO 0.31 0.00 1.72 0.77 -0.54 0.00 0.00 174.62 176.88 1s78 h SER 336 N 2.21 0.00 1.39 3.99 4.64 -1.84 -0.31 113.55 123.64 1s78 h SER 336 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1s78 h SER 336 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1s78 h SER 336 CO 0.55 0.00 -0.20 0.00 -0.87 0.00 0.00 176.83 176.31 1s78 h ALA 337 N 1.74 0.87 0.00 5.18 0.00 -1.95 -3.38 119.26 121.73 1s78 h ALA 337 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s78 h ALA 337 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1s78 h ALA 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 179.25 179.52 1s78 n ASN 338 N -2.39 0.13 -0.19 0.00 0.23 -0.35 -4.90 115.26 107.78 1s78 n ASN 338 Ca 0.04 -0.76 -0.08 0.00 -0.53 0.00 0.00 54.58 53.25 1s78 n ASN 338 Cb 0.46 0.04 0.02 0.00 -2.08 0.00 0.00 39.78 38.22 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 0.61 1.22 -0.07 1.53 6.09 -1.30 -2.11 117.51 123.48 1s78 h ILE 339 Ca 0.00 -0.72 0.02 0.00 -1.37 0.00 0.00 64.86 62.80 1s78 h ILE 339 Cb 0.31 0.67 -0.00 0.00 0.47 0.00 0.00 36.82 38.27 1s78 h ILE 339 CO 0.00 0.27 0.11 1.56 -3.07 0.00 0.00 178.15 177.02 1s78 h GLN 340 N 0.75 0.00 -0.12 2.19 1.08 -1.86 -1.98 115.11 115.17 1s78 h GLN 340 Ca 0.18 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.42 1s78 h GLN 340 Cb 0.22 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1s78 h GLN 340 CO -0.01 0.00 0.22 0.93 -0.95 0.00 0.00 178.83 179.02 1s78 h GLU 341 N 0.00 0.00 -0.02 1.46 5.08 -1.75 -1.33 114.58 118.02 1s78 h GLU 341 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1s78 h GLU 341 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1s78 h GLU 341 CO -0.00 0.00 -0.29 1.19 -1.00 0.00 0.00 179.01 178.91 1s78 n PHE 342 N -3.43 0.00 -1.63 4.33 3.01 -0.74 -4.92 117.46 114.07 1s78 n PHE 342 Ca 0.00 0.00 -0.57 0.00 1.01 0.00 0.00 57.45 57.89 1s78 n PHE 342 Cb 0.32 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.71 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 0.45 -0.00 -0.07 4.37 0.00 -0.50 -0.93 120.51 123.83 1s78 n ALA 343 Ca 0.11 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1s78 n ALA 343 Cb 0.51 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 4.85 1.57 3.70 0.00 0.00 -1.26 -5.01 105.19 109.04 1s78 n GLY 344 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 5.02 0.65 -3.97 0.00 5.02 -1.26 -2.71 118.16 120.91 1s78 n LYS 346 Ca 0.14 0.25 -0.19 0.00 -2.02 0.00 0.00 58.31 56.48 1s78 n LYS 346 Cb 0.42 -1.75 -0.17 0.00 -0.02 0.00 0.00 35.03 33.52 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 -2.58 0.54 -0.25 1.97 2.20 -1.26 0.65 119.74 121.01 1s78 s LYS 347 Ca -0.07 0.03 -0.08 0.00 -0.36 0.00 0.00 55.97 55.48 1s78 s LYS 347 Cb 0.08 -0.72 -0.04 0.00 -1.51 0.00 0.00 37.83 35.64 1s78 s LYS 347 CO 0.82 -0.16 0.10 0.42 -0.36 0.00 0.00 175.35 176.17 1s78 s ILE 348 N 1.24 4.64 -0.73 5.43 1.01 0.19 -4.16 121.20 128.83 1s78 s ILE 348 Ca -0.06 -0.06 -0.24 0.00 0.00 0.00 0.00 60.65 60.29 1s78 s ILE 348 Cb -0.13 -3.17 0.06 0.00 0.01 0.00 0.00 42.46 39.22 1s78 s ILE 348 CO -0.02 0.33 1.11 -0.36 0.00 0.00 0.00 174.94 176.00 1s78 s PHE 349 N 1.50 2.57 -4.50 3.97 0.40 0.14 -1.78 117.98 120.28 1s78 s PHE 349 Ca 0.06 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1s78 s PHE 349 Cb -0.15 -4.43 0.00 0.00 0.51 0.00 0.00 43.02 38.95 1s78 s PHE 349 CO 0.05 -1.80 0.00 0.41 0.70 0.00 0.00 175.22 174.58 1s78 n GLY 350 N 5.47 0.91 3.39 4.36 0.00 -1.26 0.66 105.19 118.71 1s78 n GLY 350 Ca 0.03 -1.89 -0.19 0.00 0.00 0.00 0.00 46.02 43.96 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 2.28 -0.07 1.61 0.01 -0.96 0.35 113.70 112.91 1s78 s SER 351 Ca 0.00 -1.23 0.03 0.00 1.31 0.00 0.00 55.95 56.06 1s78 s SER 351 Cb 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1s78 s SER 351 CO 0.00 -0.46 -0.18 -0.76 0.41 0.00 0.00 173.24 172.25 1s78 s LEU 352 N -3.39 1.87 -0.11 2.44 1.43 -0.84 0.07 118.68 120.16 1s78 s LEU 352 Ca 0.30 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1s78 s LEU 352 Cb 0.05 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 45.20 1s78 s LEU 352 CO 0.11 0.11 -0.16 0.00 0.23 0.00 0.00 176.35 176.64 1s78 s ALA 353 N 0.40 1.72 -0.32 4.21 0.00 -1.26 -1.27 121.76 125.24 1s78 s ALA 353 Ca -0.14 -0.74 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 1s78 s ALA 353 Cb -0.16 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.17 1s78 s ALA 353 CO 0.05 -0.03 0.11 -0.06 0.00 0.00 0.00 175.76 175.84 1s78 s PHE 354 N 0.89 3.20 0.44 0.00 0.40 0.16 -1.14 117.98 121.93 1s78 s PHE 354 Ca -0.08 -1.08 0.07 0.00 -0.60 0.00 0.00 56.93 55.24 1s78 s PHE 354 Cb -0.15 -2.30 -0.02 0.00 0.51 0.00 0.00 43.02 41.06 1s78 s PHE 354 CO -0.00 -0.62 0.30 -0.51 0.70 0.00 0.00 175.22 175.09 1s78 s LEU 355 N 1.49 3.17 0.34 -0.37 1.02 -1.26 -0.79 118.68 122.27 1s78 s LEU 355 Ca 0.01 -0.96 0.06 0.00 0.02 0.00 0.00 54.13 53.26 1s78 s LEU 355 Cb -0.18 -1.67 0.73 0.00 0.02 0.00 0.00 46.19 45.09 1s78 s LEU 355 CO 0.03 -0.69 1.88 -0.65 0.02 0.00 0.00 176.35 176.94 1s78 h PRO 356 N 1.14 0.77 0.00 1.29 0.11 -1.90 -0.75 132.00 132.66 1s78 h PRO 356 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s78 h PRO 356 Cb 1.27 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1s78 h PRO 356 CO 0.62 0.51 0.00 1.05 -0.21 0.00 0.00 178.00 179.97 1s78 h GLU 357 N 0.79 0.00 -0.70 1.05 4.11 -1.91 -0.82 114.58 117.10 1s78 h GLU 357 Ca 0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.85 1s78 h GLU 357 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1s78 h GLU 357 CO -0.20 0.00 0.38 0.77 0.07 0.00 0.00 179.01 180.03 1s78 h SER 358 N 0.00 0.87 0.00 3.06 0.02 -1.35 -3.39 113.55 112.76 1s78 h SER 358 Ca 0.00 -0.10 -0.22 0.00 -0.84 0.00 0.00 61.79 60.63 1s78 h SER 358 Cb 0.23 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 1s78 h SER 358 CO 0.00 0.72 -1.84 0.49 -1.14 0.00 0.00 176.83 175.06 1s78 n PHE 359 N -4.50 0.00 -3.10 3.45 3.01 -0.64 -2.13 117.46 113.55 1s78 n PHE 359 Ca 0.06 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.13 1s78 n PHE 359 Cb 0.09 -0.59 -0.06 0.00 -0.01 0.00 0.00 39.48 38.91 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 -4.73 7.18 1.17 4.37 -4.77 -0.41 -4.34 116.67 115.15 1s78 s ASP 360 Ca -0.10 1.40 -0.15 0.00 -3.30 0.00 0.00 52.55 50.41 1s78 s ASP 360 Cb 0.04 -2.43 0.22 0.00 -1.09 0.00 0.00 42.92 39.66 1s78 s ASP 360 CO 0.46 0.16 0.85 0.61 0.70 0.00 0.00 175.17 177.95 1s78 n GLY 361 N 1.98 -2.54 3.30 2.12 0.00 -1.26 -4.28 105.19 104.52 1s78 n GLY 361 Ca -0.06 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.85 5.33 0.00 1.61 -1.08 -0.95 -4.91 116.67 112.82 1s78 s ASP 362 Ca 0.54 -1.02 0.00 0.00 -0.52 0.00 0.00 52.55 51.55 1s78 s ASP 362 Cb -0.05 -1.89 0.00 0.00 -1.46 0.00 0.00 42.92 39.52 1s78 s ASP 362 CO 0.41 -0.30 0.35 -0.81 0.52 0.00 0.00 175.17 175.33 1s78 n PRO 363 N 4.85 0.00 0.00 4.34 -0.04 -1.26 -1.95 135.00 140.94 1s78 n PRO 363 Ca -0.13 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1s78 n PRO 363 Cb 0.46 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.07 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 -1.33 0.00 -3.56 0.55 0.00 -1.26 -1.18 120.51 113.73 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 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 6.01 0.00 0.00 0.01 -1.26 -4.97 113.70 113.49 1s78 s SER 365 Ca 0.00 -3.12 0.00 0.00 1.31 0.00 0.00 55.95 54.14 1s78 s SER 365 Cb 0.00 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.24 1s78 s SER 365 CO 0.00 -0.36 0.00 -0.46 0.41 0.00 0.00 173.24 172.83 1s78 n ASN 366 N 3.21 0.00 -3.90 2.44 0.23 -0.32 -4.87 115.26 112.06 1s78 n ASN 366 Ca 0.15 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.89 1s78 n ASN 366 Cb 0.40 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.95 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 1.46 0.42 5.53 -4.23 -0.82 -5.06 115.64 112.94 1s78 s THR 367 Ca 0.00 -1.41 -0.26 0.00 -1.18 0.00 0.00 61.69 58.84 1s78 s THR 367 Cb 0.00 -1.87 -0.09 0.00 1.34 0.00 0.00 72.50 71.88 1s78 s THR 367 CO 0.00 -0.31 1.39 0.00 -0.54 0.00 0.00 174.62 175.15 1s78 s ALA 368 N 1.39 3.30 0.14 3.99 0.00 -1.26 -2.23 121.76 127.08 1s78 s ALA 368 Ca 0.01 1.39 -0.35 0.00 0.00 0.00 0.00 51.96 53.01 1s78 s ALA 368 Cb -0.18 -3.55 -0.15 0.00 0.00 0.00 0.00 23.12 19.23 1s78 s ALA 368 CO -0.11 -1.03 1.42 -0.35 0.00 0.00 0.00 175.76 175.69 1s78 n PRO 369 N 0.03 1.64 -1.70 0.00 -0.04 -1.26 -4.19 135.00 129.48 1s78 n PRO 369 Ca 0.04 0.59 -0.43 0.00 -0.04 0.00 0.00 63.50 63.66 1s78 n PRO 369 Cb 0.42 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 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 0.62 3.92 0.40 1.53 2.96 -0.91 -4.88 118.68 122.33 1s78 s LEU 370 Ca 0.79 2.18 -0.22 0.00 -0.22 0.00 0.00 54.13 56.67 1s78 s LEU 370 Cb -0.80 -3.52 -0.11 0.00 0.50 0.00 0.00 46.19 42.26 1s78 s LEU 370 CO 0.44 -1.49 0.94 -1.10 -1.32 0.00 0.00 176.35 173.82 1s78 s GLN 371 N 5.33 4.28 0.27 1.98 -1.52 -1.26 -4.73 119.66 124.01 1s78 s GLN 371 Ca 0.92 1.13 -0.02 0.00 -1.95 0.00 0.00 55.36 55.43 1s78 s GLN 371 Cb -0.36 -2.30 0.36 0.00 -0.22 0.00 0.00 33.01 30.48 1s78 s GLN 371 CO 0.37 0.04 1.80 -1.35 -0.25 0.00 0.00 175.29 175.89 1s78 h PRO 372 N 2.16 0.84 0.00 2.91 0.11 -1.99 -2.00 132.00 134.02 1s78 h PRO 372 Ca -0.49 -0.19 -0.00 0.00 0.11 0.00 0.00 66.00 65.43 1s78 h PRO 372 Cb 1.18 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1s78 h PRO 372 CO 0.62 0.78 -0.00 1.05 -0.21 0.00 0.00 178.00 180.24 1s78 h GLU 373 N 0.80 0.00 0.00 1.05 9.09 -2.03 -0.72 114.58 122.77 1s78 h GLU 373 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 1s78 h GLU 373 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 1s78 h GLU 373 CO 0.01 0.00 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 -1.75 -2.78 115.11 115.84 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 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 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 -2.81 0.66 0.14 1.46 4.77 -0.28 -2.98 117.00 117.96 1s78 n LEU 375 Ca 0.01 0.64 0.09 0.00 -0.03 0.00 0.00 56.01 56.72 1s78 n LEU 375 Cb 0.30 -0.52 0.49 0.00 -2.33 0.00 0.00 43.42 41.35 1s78 n LEU 375 CO 0.26 -0.47 0.78 0.00 -1.33 0.00 0.00 177.39 176.63 1s78 n GLN 376 N -2.20 0.12 0.01 3.23 6.02 -1.05 -2.01 117.38 121.50 1s78 n GLN 376 Ca 0.03 0.61 0.04 0.00 -0.01 0.00 0.00 57.00 57.67 1s78 n GLN 376 Cb 0.27 -1.92 0.43 0.00 1.02 0.00 0.00 30.24 30.03 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 1.11 0.00 5.09 -1.51 -1.80 -2.55 116.25 116.59 1s78 h VAL 377 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 1s78 h VAL 377 Cb 0.08 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 29.78 1s78 h VAL 377 CO 0.00 0.11 0.00 0.49 -1.23 0.00 0.00 177.57 176.94 1s78 n PHE 378 N -4.47 0.00 0.56 5.19 3.01 -0.85 -3.59 117.46 117.31 1s78 n PHE 378 Ca 0.03 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.59 1s78 n PHE 378 Cb 0.07 0.00 0.43 0.00 -0.01 0.00 0.00 39.48 39.96 1s78 n PHE 378 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1s78 n GLU 379 N -0.85 0.09 0.03 -1.08 1.02 -0.96 -2.15 120.64 116.74 1s78 n GLU 379 Ca 0.13 0.27 0.10 0.00 -0.02 0.00 0.00 57.16 57.63 1s78 n GLU 379 Cb 0.06 -1.66 -0.11 0.00 -0.02 0.00 0.00 31.44 29.72 1s78 n GLU 379 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1s78 n THR 380 N -1.83 0.34 -1.68 2.62 -2.24 -1.24 -4.59 114.28 105.66 1s78 n THR 380 Ca 0.04 -0.54 -0.45 0.00 -2.27 0.00 0.00 64.05 60.82 1s78 n THR 380 Cb 0.25 -0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.46 3.62 -0.03 3.22 7.94 -0.91 -4.46 117.00 123.91 1s78 n LEU 381 Ca -0.04 1.01 -0.03 0.00 -1.11 0.00 0.00 56.01 55.83 1s78 n LEU 381 Cb 0.60 -1.46 -0.05 0.00 0.53 0.00 0.00 43.42 43.04 1s78 n LEU 381 CO 0.44 -0.02 -0.72 -0.62 -1.11 0.00 0.00 177.39 175.36 1s78 n GLU 382 N 5.30 2.85 -3.82 1.96 1.02 0.21 -1.82 120.64 126.33 1s78 n GLU 382 Ca 0.19 -0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.20 1s78 n GLU 382 Cb 0.33 -1.18 -0.14 0.00 -0.02 0.00 0.00 31.44 30.44 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 -2.17 0.09 -0.09 3.49 2.12 -0.86 0.54 118.70 121.83 1s78 s GLU 383 Ca -0.03 0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.50 1s78 s GLU 383 Cb 0.02 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.40 1s78 s GLU 383 CO 0.28 -0.05 -0.22 0.42 -0.54 0.00 0.00 175.26 175.15 1s78 s ILE 384 N 0.31 1.90 -0.00 -3.70 1.01 -0.82 -0.64 121.20 119.27 1s78 s ILE 384 Ca -0.02 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 59.79 1s78 s ILE 384 Cb -0.03 -1.65 -0.23 0.00 0.01 0.00 0.00 42.46 40.56 1s78 s ILE 384 CO -0.01 0.53 0.81 0.71 0.00 0.00 0.00 174.94 176.97 1s78 h THR 385 N 5.68 1.06 0.00 2.92 1.35 -1.34 0.17 112.91 122.76 1s78 h THR 385 Ca -0.22 -2.86 0.00 0.00 -0.55 0.00 0.00 66.41 62.78 1s78 h THR 385 Cb 1.23 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 70.19 1s78 h THR 385 CO 0.47 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.99 1s78 n GLY 386 N 1.53 0.77 3.18 5.82 0.00 0.16 -0.49 105.19 116.16 1s78 n GLY 386 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 0.83 1.01 -0.19 1.61 -0.85 -1.22 -1.34 117.35 117.19 1s78 s TYR 387 Ca 0.00 -0.77 -0.07 0.00 -0.52 0.00 0.00 57.07 55.71 1s78 s TYR 387 Cb 0.00 -0.55 -0.04 0.00 0.38 0.00 0.00 41.96 41.75 1s78 s TYR 387 CO 0.00 -0.05 0.04 -1.17 -1.52 0.00 0.00 175.55 172.85 1s78 s LEU 388 N -2.78 3.61 -0.19 -3.49 2.96 -0.61 -1.98 118.68 116.20 1s78 s LEU 388 Ca 0.09 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1s78 s LEU 388 Cb 0.01 -1.91 0.05 0.00 0.50 0.00 0.00 46.19 44.84 1s78 s LEU 388 CO -0.02 0.13 -0.03 -0.47 -1.32 0.00 0.00 176.35 174.64 1s78 s TYR 389 N 0.61 1.68 -0.31 5.38 5.04 -0.40 -2.11 117.35 127.25 1s78 s TYR 389 Ca 0.02 -1.16 0.03 0.00 -2.44 0.00 0.00 57.07 53.52 1s78 s TYR 389 Cb -0.13 -1.29 0.09 0.00 0.35 0.00 0.00 41.96 40.97 1s78 s TYR 389 CO 0.02 -0.64 -0.00 0.42 -1.34 0.00 0.00 175.55 174.00 1s78 s ILE 390 N 1.64 2.09 -1.96 3.14 1.01 -0.04 0.35 121.20 127.44 1s78 s ILE 390 Ca -0.01 -1.99 0.17 0.00 0.00 0.00 0.00 60.65 58.82 1s78 s ILE 390 Cb -0.16 -2.43 0.09 0.00 0.01 0.00 0.00 42.46 39.97 1s78 s ILE 390 CO -0.07 -0.40 0.99 -1.54 0.00 0.00 0.00 174.94 173.92 1s78 n SER 391 N 4.38 2.19 -3.65 3.58 3.41 0.03 -1.86 113.62 121.69 1s78 n SER 391 Ca -0.03 -1.59 -0.14 0.00 -0.26 0.00 0.00 58.87 56.84 1s78 n SER 391 Cb 0.42 0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.61 -1.15 -0.28 7.33 0.00 -1.14 -4.61 121.76 120.30 1s78 s ALA 392 Ca 0.18 0.59 -0.22 0.00 0.00 0.00 0.00 51.96 52.52 1s78 s ALA 392 Cb 0.14 0.17 0.11 0.00 0.00 0.00 0.00 23.12 23.54 1s78 s ALA 392 CO 0.28 -0.37 0.90 -0.46 0.00 0.00 0.00 175.76 176.11 1s78 s TRP 393 N -1.76 -0.65 0.18 0.00 -0.11 -1.26 -4.67 118.94 110.67 1s78 s TRP 393 Ca -0.10 1.48 -0.33 0.00 1.22 0.00 0.00 56.10 58.37 1s78 s TRP 393 Cb -0.02 0.38 -0.14 0.00 -1.50 0.00 0.00 33.47 32.19 1s78 s TRP 393 CO 0.03 -0.32 1.45 -2.30 -4.62 0.00 0.00 176.95 171.19 1s78 n PRO 394 N 2.92 1.90 -0.24 5.86 -0.02 -1.26 -4.87 135.00 139.29 1s78 n PRO 394 Ca -0.15 0.68 0.01 0.00 -2.02 0.00 0.00 63.50 62.02 1s78 n PRO 394 Cb 0.56 -2.37 0.24 0.00 -0.02 0.00 0.00 33.50 31.92 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 4.88 0.88 0.13 2.55 5.19 -1.97 -2.08 116.42 125.99 1s78 h ASP 395 Ca -0.45 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1s78 h ASP 395 Cb 1.28 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.58 1s78 h ASP 395 CO 0.81 0.62 0.00 -1.54 -3.12 0.00 0.00 179.24 176.01 1s78 n SER 396 N -4.43 0.34 -4.42 6.45 3.41 -1.26 -4.49 113.62 109.22 1s78 n SER 396 Ca 0.09 0.64 -0.36 0.00 -0.26 0.00 0.00 58.87 58.99 1s78 n SER 396 Cb 0.06 -0.69 -0.13 0.00 -0.26 0.00 0.00 64.21 63.19 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 -3.87 3.30 0.00 1.04 1.43 -0.78 -4.98 118.68 114.81 1s78 s LEU 397 Ca -0.00 -0.25 0.23 0.00 -1.03 0.00 0.00 54.13 53.08 1s78 s LEU 397 Cb 0.05 -1.87 0.95 0.00 0.03 0.00 0.00 46.19 45.34 1s78 s LEU 397 CO 0.16 -0.02 1.66 -0.81 0.23 0.00 0.00 176.35 177.57 1s78 n PRO 398 N 4.82 1.57 -3.85 1.29 -0.04 -1.26 -4.66 135.00 132.87 1s78 n PRO 398 Ca -0.17 -0.85 -0.08 0.00 -0.04 0.00 0.00 63.50 62.37 1s78 n PRO 398 Cb 0.51 -1.41 -0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.70 -0.12 -0.41 3.54 1.47 -1.26 -0.66 116.67 117.52 1s78 s ASP 399 Ca 0.34 -0.86 0.02 0.00 1.18 0.00 0.00 52.55 53.23 1s78 s ASP 399 Cb 0.18 0.77 0.47 0.00 -0.34 0.00 0.00 42.92 44.00 1s78 s ASP 399 CO 0.28 -1.48 1.83 0.18 0.68 0.00 0.00 175.17 176.66 1s78 n LEU 400 N -0.49 6.38 0.00 2.11 4.77 -0.41 -4.64 117.00 124.71 1s78 n LEU 400 Ca -0.06 -3.41 0.07 0.00 -0.03 0.00 0.00 56.01 52.59 1s78 n LEU 400 Cb 0.60 -0.85 0.44 0.00 -2.33 0.00 0.00 43.42 41.27 1s78 n LEU 400 CO 0.20 1.08 0.70 -1.54 -1.33 0.00 0.00 177.39 176.50 1s78 n SER 401 N -0.66 0.00 0.18 -1.43 3.41 -1.26 -0.74 113.62 113.12 1s78 n SER 401 Ca 0.48 -1.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.15 1s78 n SER 401 Cb 1.16 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 65.50 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 -0.17 -3.33 -1.51 -1.91 -2.55 116.25 106.78 1s78 h VAL 402 Ca 0.00 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1s78 h VAL 402 Cb 0.00 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 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 -2.69 0.20 0.00 5.19 3.01 0.09 -2.91 117.46 120.34 1s78 n PHE 403 Ca 0.04 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1s78 n PHE 403 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 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 0.80 0.00 -0.03 -1.08 7.27 -0.96 0.26 117.38 123.64 1s78 n GLN 404 Ca 0.17 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.30 1s78 n GLN 404 Cb 0.46 0.00 0.07 0.00 2.41 0.00 0.00 30.24 33.18 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 -0.66 2.14 -4.65 1.69 3.02 -1.26 -3.62 115.26 111.92 1s78 n ASN 405 Ca 0.00 -1.57 -0.43 0.00 -0.03 0.00 0.00 54.58 52.54 1s78 n ASN 405 Cb 0.00 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 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 0.66 3.88 -0.10 3.41 7.94 0.14 -4.21 117.00 128.72 1s78 n LEU 406 Ca 0.08 0.80 -0.12 0.00 -1.11 0.00 0.00 56.01 55.66 1s78 n LEU 406 Cb 0.32 -1.50 -0.12 0.00 0.53 0.00 0.00 43.42 42.64 1s78 n LEU 406 CO 0.08 0.01 -1.16 0.00 -1.11 0.00 0.00 177.39 175.21 1s78 n GLN 407 N 7.60 0.86 -3.90 1.96 6.02 0.19 -1.07 117.38 129.03 1s78 n GLN 407 Ca 0.22 0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 57.16 1s78 n GLN 407 Cb 0.39 -1.46 -0.13 0.00 1.02 0.00 0.00 30.24 30.07 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 -2.44 0.04 -0.25 5.09 -7.23 -1.11 -0.31 120.40 114.18 1s78 s VAL 408 Ca -0.19 -0.30 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 1s78 s VAL 408 Cb 0.06 -0.12 0.05 0.00 0.56 0.00 0.00 36.38 36.94 1s78 s VAL 408 CO 0.64 -0.17 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.51 1s78 s ILE 409 N -0.49 2.16 0.17 -0.62 1.01 -0.61 -1.94 121.20 120.88 1s78 s ILE 409 Ca -0.05 -1.51 -0.06 0.00 0.00 0.00 0.00 60.65 59.02 1s78 s ILE 409 Cb -0.03 -2.21 -0.06 0.00 0.01 0.00 0.00 42.46 40.17 1s78 s ILE 409 CO -0.00 0.07 1.47 0.03 0.00 0.00 0.00 174.94 176.51 1s78 h ARG 410 N 7.80 0.68 -0.38 2.79 3.08 -0.78 -0.30 114.38 127.28 1s78 h ARG 410 Ca -0.24 -0.43 -0.10 0.00 0.07 0.00 0.00 59.98 59.29 1s78 h ARG 410 Cb 1.06 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 1s78 h ARG 410 CO 0.49 1.05 -0.10 0.41 -1.07 0.00 0.00 179.97 180.75 1s78 n GLY 411 N 0.28 0.56 0.26 0.04 0.00 -0.45 -2.21 105.19 103.67 1s78 n GLY 411 Ca -0.03 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 0.00 -6.00 1.61 3.08 -0.95 -3.37 114.38 108.75 1s78 h ARG 412 Ca -0.10 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.26 1s78 h ARG 412 Cb 0.56 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.33 1s78 h ARG 412 CO 0.14 0.12 -0.84 0.42 -1.07 0.00 0.00 179.97 178.75 1s78 s ILE 413 N -4.18 2.46 0.07 2.04 1.01 -1.24 -4.98 121.20 116.37 1s78 s ILE 413 Ca -0.03 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 59.80 1s78 s ILE 413 Cb 0.13 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1s78 s ILE 413 CO 0.59 0.57 -0.25 -0.76 0.00 0.00 0.00 174.94 175.09 1s78 s LEU 414 N -0.23 2.30 0.05 2.97 1.43 -1.26 -3.46 118.68 120.48 1s78 s LEU 414 Ca -0.01 -0.62 -0.31 0.00 -1.03 0.00 0.00 54.13 52.17 1s78 s LEU 414 Cb -0.13 -1.31 -0.06 0.00 0.03 0.00 0.00 46.19 44.72 1s78 s LEU 414 CO 0.03 0.23 1.23 -2.28 0.23 0.00 0.00 176.35 175.79 1s78 s HIS 415 N -0.92 3.35 -0.95 0.29 5.65 -0.30 -1.90 115.29 120.51 1s78 s HIS 415 Ca 0.13 1.23 0.00 0.00 0.25 0.00 0.00 55.06 56.67 1s78 s HIS 415 Cb -0.10 -3.46 0.00 0.00 -1.18 0.00 0.00 32.58 27.84 1s78 s HIS 415 CO 0.04 -1.46 0.00 0.09 -0.65 0.00 0.00 174.74 172.76 1s78 n ASN 416 N 4.19 -4.16 -0.00 9.88 3.02 -1.26 -1.52 115.26 125.40 1s78 n ASN 416 Ca 0.10 0.22 -0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1s78 n ASN 416 Cb 0.46 -3.27 -0.00 0.00 -0.61 0.00 0.00 39.78 36.36 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 0.14 0.41 1.00 7.41 0.00 -0.80 -0.39 105.19 112.96 1s78 n GLY 417 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 2.72 -2.87 4.61 0.00 -0.58 -4.38 120.51 121.00 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 0.09 0.30 -0.11 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.89 3.17 -0.11 0.00 1.51 -0.65 -1.49 117.35 117.90 1s78 s TYR 419 Ca 0.00 -0.06 0.16 0.00 -1.01 0.00 0.00 57.07 56.16 1s78 s TYR 419 Cb 0.00 -2.04 -0.20 0.00 -0.11 0.00 0.00 41.96 39.60 1s78 s TYR 419 CO 0.00 0.08 0.58 -1.13 -1.11 0.00 0.00 175.55 173.96 1s78 n SER 420 N 3.58 0.59 -3.87 2.29 3.41 0.10 -1.15 113.62 118.57 1s78 n SER 420 Ca -0.17 0.27 -0.23 0.00 -0.26 0.00 0.00 58.87 58.47 1s78 n SER 420 Cb 0.52 0.45 -0.17 0.00 -0.26 0.00 0.00 64.21 64.76 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 -5.68 1.07 -0.08 1.04 2.96 -1.08 -1.58 118.68 115.33 1s78 s LEU 421 Ca -0.05 -0.18 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1s78 s LEU 421 Cb 0.08 -0.60 0.02 0.00 0.50 0.00 0.00 46.19 46.19 1s78 s LEU 421 CO 0.83 -0.11 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.82 1s78 s THR 422 N 1.48 0.62 -0.25 3.68 2.01 -0.90 0.48 115.64 122.76 1s78 s THR 422 Ca -0.01 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 1s78 s THR 422 Cb -0.13 -0.70 0.08 0.00 0.01 0.00 0.00 72.50 71.75 1s78 s THR 422 CO -0.04 0.29 0.03 -0.76 -0.69 0.00 0.00 174.62 173.45 1s78 s LEU 423 N 1.59 2.07 -0.02 4.42 1.43 0.02 -0.86 118.68 127.33 1s78 s LEU 423 Ca 0.00 -1.25 0.02 0.00 -1.03 0.00 0.00 54.13 51.87 1s78 s LEU 423 Cb -0.13 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 45.21 1s78 s LEU 423 CO -0.04 -0.33 -0.05 0.00 0.23 0.00 0.00 176.35 176.16 1s78 s GLN 424 N 1.61 0.62 -0.47 1.70 -2.07 -0.78 -2.01 119.66 118.27 1s78 s GLN 424 Ca 0.02 -0.17 -0.02 0.00 -1.82 0.00 0.00 55.36 53.37 1s78 s GLN 424 Cb -0.18 -0.62 0.00 0.00 -1.09 0.00 0.00 33.01 31.12 1s78 s GLN 424 CO -0.13 0.05 0.21 0.41 -1.32 0.00 0.00 175.29 174.51 1s78 n GLY 425 N 3.39 0.34 0.13 2.60 0.00 -1.04 -4.29 105.19 106.32 1s78 n GLY 425 Ca -0.18 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.48 1.95 -0.15 0.99 4.77 -1.25 -4.84 117.00 116.99 1s78 n LEU 426 Ca -0.03 0.34 -0.02 0.00 -0.03 0.00 0.00 56.01 56.27 1s78 n LEU 426 Cb 0.53 -0.81 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1s78 n LEU 426 CO 0.15 0.39 -0.02 0.61 -1.33 0.00 0.00 177.39 177.20 1s78 n GLY 427 N 1.30 0.52 3.62 -0.72 0.00 -1.26 -4.86 105.19 103.79 1s78 n GLY 427 Ca -0.46 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.78 1.78 0.06 -0.61 -5.35 -1.26 -4.72 119.36 106.48 1s78 n ILE 428 Ca -0.02 -0.24 0.08 0.00 -0.27 0.00 0.00 62.75 62.30 1s78 n ILE 428 Cb 0.15 -1.05 -0.13 0.00 -1.74 0.00 0.00 39.64 36.87 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 -2.47 1.11 -3.91 7.28 7.64 0.16 -2.18 113.62 121.24 1s78 n SER 429 Ca 0.12 -0.08 -0.08 0.00 1.01 0.00 0.00 58.87 59.84 1s78 n SER 429 Cb 0.51 1.70 -0.04 0.00 -1.01 0.00 0.00 64.21 65.37 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 -3.12 0.13 -0.11 1.43 -2.14 -1.18 -0.18 118.94 113.77 1s78 s TRP 430 Ca -0.05 -0.53 -0.22 0.00 2.66 0.00 0.00 56.10 57.96 1s78 s TRP 430 Cb 0.11 0.42 -0.27 0.00 -3.10 0.00 0.00 33.47 30.63 1s78 s TRP 430 CO 0.70 -1.11 0.69 -0.07 -2.66 0.00 0.00 176.95 174.49 1s78 h LEU 431 N 2.14 0.27 0.00 -4.66 3.38 -1.73 -3.37 115.31 111.34 1s78 h LEU 431 Ca -0.23 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 56.86 1s78 h LEU 431 Cb 1.25 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1s78 h LEU 431 CO 0.30 1.37 0.00 0.61 0.09 0.00 0.00 178.44 180.81 1s78 n GLY 432 N 1.65 0.21 2.87 0.83 0.00 0.44 -1.29 105.19 109.90 1s78 n GLY 432 Ca -0.18 0.00 -0.37 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 4.90 0.00 0.99 4.77 -1.26 -4.44 117.00 121.96 1s78 n LEU 433 Ca 0.00 -3.11 0.09 0.00 -0.03 0.00 0.00 56.01 52.96 1s78 n LEU 433 Cb 0.16 -1.20 0.55 0.00 -2.33 0.00 0.00 43.42 40.61 1s78 n LEU 433 CO 0.00 0.22 0.76 -2.11 -1.33 0.00 0.00 177.39 174.93 1s78 n ARG 434 N 5.91 0.67 -0.00 3.23 1.85 -1.26 -2.46 116.66 124.60 1s78 n ARG 434 Ca 0.50 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 57.35 1s78 n ARG 434 Cb 0.31 -1.43 -0.01 0.00 -1.05 0.00 0.00 32.46 30.28 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 -0.93 0.63 -4.57 2.89 7.64 -1.24 -4.91 113.62 113.13 1s78 n SER 435 Ca 0.14 -0.47 -0.39 0.00 1.01 0.00 0.00 58.87 59.16 1s78 n SER 435 Cb 0.06 1.01 -0.03 0.00 -1.01 0.00 0.00 64.21 64.24 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 -2.20 3.41 -0.05 -3.43 2.96 -0.24 -4.17 118.68 114.96 1s78 s LEU 436 Ca 0.00 1.29 0.17 0.00 -0.22 0.00 0.00 54.13 55.37 1s78 s LEU 436 Cb 0.01 -2.86 -0.25 0.00 0.50 0.00 0.00 46.19 43.59 1s78 s LEU 436 CO 0.07 -2.52 0.31 -2.11 -1.32 0.00 0.00 176.35 170.78 1s78 n ARG 437 N 8.92 0.71 -3.69 1.98 1.85 0.57 -4.99 116.66 122.02 1s78 n ARG 437 Ca 0.33 -0.13 -0.14 0.00 -1.00 0.00 0.00 57.85 56.91 1s78 n ARG 437 Cb 0.51 -1.41 -0.14 0.00 -1.05 0.00 0.00 32.46 30.37 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 -3.02 0.12 -0.51 2.89 2.12 -0.99 -4.28 118.70 115.03 1s78 s GLU 438 Ca -0.07 0.61 -0.17 0.00 0.36 0.00 0.00 54.97 55.70 1s78 s GLU 438 Cb 0.10 -0.14 0.08 0.00 0.26 0.00 0.00 34.13 34.43 1s78 s GLU 438 CO 0.70 -0.26 0.50 -0.51 -0.54 0.00 0.00 175.26 175.16 1s78 s LEU 439 N 2.02 5.55 0.41 2.70 1.43 -0.26 -1.58 118.68 128.96 1s78 s LEU 439 Ca -0.01 -1.33 0.08 0.00 -1.03 0.00 0.00 54.13 51.84 1s78 s LEU 439 Cb -0.12 -2.26 0.88 0.00 0.03 0.00 0.00 46.19 44.72 1s78 s LEU 439 CO -0.07 -0.79 2.03 1.23 0.23 0.00 0.00 176.35 178.98 1s78 h GLY 440 N 9.13 0.62 -2.55 -3.19 0.00 -1.07 -3.36 103.07 102.66 1s78 h GLY 440 Ca -0.29 -0.22 0.15 0.00 0.00 0.00 0.00 47.33 46.98 1s78 h GLY 440 CO 0.95 0.19 0.46 -1.35 0.00 0.00 0.00 176.54 176.80 1s78 s SER 441 N -6.54 -0.23 0.06 0.19 1.04 -0.94 -4.63 113.70 102.64 1s78 s SER 441 Ca -0.08 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1s78 s SER 441 Cb 0.18 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1s78 s SER 441 CO 0.74 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1s78 n GLY 442 N -0.42 -2.16 3.92 7.32 0.00 -1.26 -4.48 105.19 108.09 1s78 n GLY 442 Ca -0.07 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 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 -5.10 3.82 -0.20 0.99 1.43 -0.55 -4.54 118.68 114.53 1s78 s LEU 443 Ca 0.00 0.76 -0.08 0.00 -1.03 0.00 0.00 54.13 53.78 1s78 s LEU 443 Cb 0.00 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1s78 s LEU 443 CO 0.00 -0.43 0.08 0.00 0.23 0.00 0.00 176.35 176.23 1s78 s ALA 444 N -2.50 3.43 -0.22 4.21 0.00 -0.74 0.02 121.76 125.96 1s78 s ALA 444 Ca 0.45 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.64 1s78 s ALA 444 Cb -0.10 -2.00 0.05 0.00 0.00 0.00 0.00 23.12 21.07 1s78 s ALA 444 CO 0.39 0.08 -0.11 -1.17 0.00 0.00 0.00 175.76 174.95 1s78 s LEU 445 N 0.54 2.66 -0.38 0.00 2.96 0.18 -0.09 118.68 124.56 1s78 s LEU 445 Ca 0.04 -1.05 0.03 0.00 -0.22 0.00 0.00 54.13 52.93 1s78 s LEU 445 Cb -0.13 -1.37 0.11 0.00 0.50 0.00 0.00 46.19 45.31 1s78 s LEU 445 CO 0.01 -0.15 0.13 -0.63 -1.32 0.00 0.00 176.35 174.39 1s78 s ILE 446 N 1.28 1.87 0.11 6.68 1.01 -0.60 -0.80 121.20 130.76 1s78 s ILE 446 Ca -0.03 -2.35 0.05 0.00 0.00 0.00 0.00 60.65 58.32 1s78 s ILE 446 Cb -0.17 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1s78 s ILE 446 CO -0.08 -0.70 -0.13 -1.38 0.00 0.00 0.00 174.94 172.65 1s78 s HIS 447 N 0.75 1.31 -1.76 3.97 -3.43 -0.85 -3.22 115.29 112.06 1s78 s HIS 447 Ca 0.13 -0.55 -0.00 0.00 -0.80 0.00 0.00 55.06 53.83 1s78 s HIS 447 Cb -0.21 -0.70 0.00 0.00 -1.43 0.00 0.00 32.58 30.24 1s78 s HIS 447 CO -0.09 0.10 0.03 0.72 -2.00 0.00 0.00 174.74 173.51 1s78 n HIS 448 N 0.68 -1.04 -3.24 0.38 8.25 -0.73 -2.69 115.22 116.84 1s78 n HIS 448 Ca -0.17 0.03 -0.45 0.00 -0.26 0.00 0.00 57.72 56.87 1s78 n HIS 448 Cb 0.56 -3.99 -0.05 0.00 1.12 0.00 0.00 29.99 27.63 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 -2.10 6.19 0.38 0.41 0.01 -1.23 -2.49 114.94 116.10 1s78 s ASN 449 Ca 0.02 -1.61 0.10 0.00 -0.71 0.00 0.00 52.86 50.66 1s78 s ASN 449 Cb -0.01 -2.24 0.74 0.00 0.41 0.00 0.00 41.25 40.15 1s78 s ASN 449 CO 0.02 -0.94 1.87 0.74 -1.51 0.00 0.00 177.10 177.28 1s78 h THR 450 N 5.89 1.21 -0.02 1.60 2.02 -1.87 -2.62 112.91 119.12 1s78 h THR 450 Ca -0.30 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 65.91 1s78 h THR 450 Cb 1.10 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1s78 h THR 450 CO 1.05 0.29 -0.16 1.41 0.37 0.00 0.00 175.52 178.48 1s78 n HIS 451 N -4.21 0.00 -1.74 3.16 8.25 -1.26 -3.57 115.22 115.85 1s78 n HIS 451 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1s78 n HIS 451 Cb 0.33 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.88 4.32 0.00 2.41 2.96 -0.93 -4.36 118.68 121.20 1s78 s LEU 452 Ca 0.20 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.60 1s78 s LEU 452 Cb 0.16 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.32 1s78 s LEU 452 CO 0.34 -1.11 0.00 0.00 -1.32 0.00 0.00 176.35 174.26 1s78 n PHE 454 N -0.08 -2.45 -0.13 0.00 3.01 -1.26 -4.29 117.46 112.25 1s78 n PHE 454 Ca -0.00 0.94 -0.27 0.00 1.01 0.00 0.00 57.45 59.13 1s78 n PHE 454 Cb 0.00 -4.28 -0.10 0.00 -0.01 0.00 0.00 39.48 35.10 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 -4.76 1.44 0.31 -4.37 0.31 -1.26 -4.30 118.33 105.70 1s78 n VAL 455 Ca 0.02 -0.39 0.20 0.00 -0.01 0.00 0.00 64.34 64.16 1s78 n VAL 455 Cb 0.54 -1.79 0.94 0.00 -0.91 0.00 0.00 33.84 32.62 1s78 n VAL 455 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1s78 h HIS 456 N -0.82 0.00 0.00 3.52 -0.00 -1.96 -2.43 115.15 113.47 1s78 h HIS 456 Ca -0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.70 1s78 h HIS 456 Cb 1.62 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 29.03 1s78 h HIS 456 CO -0.07 0.00 -0.07 1.79 -0.00 0.00 0.00 177.93 179.58 1s78 h THR 457 N 0.00 0.13 -3.23 6.26 1.35 -1.83 -3.44 112.91 112.15 1s78 h THR 457 Ca 0.00 -1.12 -0.54 0.00 -0.55 0.00 0.00 66.41 64.21 1s78 h THR 457 Cb 0.23 2.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1s78 h THR 457 CO 0.00 0.07 0.52 -0.69 -0.25 0.00 0.00 175.52 175.17 1s78 s VAL 458 N -3.23 4.19 -1.43 6.82 1.01 -0.92 -2.71 120.40 124.13 1s78 s VAL 458 Ca 0.06 1.58 -0.09 0.00 0.00 0.00 0.00 61.98 63.52 1s78 s VAL 458 Cb 0.06 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.48 1s78 s VAL 458 CO 0.67 0.12 2.42 -0.81 0.00 0.00 0.00 175.10 177.49 1s78 n PRO 459 N 3.93 3.76 -0.32 2.72 -0.04 -1.26 -4.80 135.00 138.98 1s78 n PRO 459 Ca 0.08 -2.92 0.21 0.00 -0.04 0.00 0.00 63.50 60.83 1s78 n PRO 459 Cb 0.47 -2.88 0.42 0.00 -0.04 0.00 0.00 33.50 31.47 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 5.26 0.61 -0.56 0.54 4.06 -1.92 0.79 115.95 124.73 1s78 h TRP 460 Ca 0.66 0.05 0.22 0.00 2.06 0.00 0.00 58.89 61.88 1s78 h TRP 460 Cb 0.44 -0.11 -0.09 0.00 -1.00 0.00 0.00 29.16 28.40 1s78 h TRP 460 CO 1.58 -0.28 0.32 -3.47 -3.56 0.00 0.00 178.44 173.04 1s78 n ASP 461 N -5.20 0.16 0.06 -3.49 -0.08 -1.26 -0.29 116.55 106.45 1s78 n ASP 461 Ca 0.29 0.81 0.11 0.00 -1.51 0.00 0.00 54.79 54.50 1s78 n ASP 461 Cb 0.92 -0.40 0.01 0.00 2.34 0.00 0.00 41.12 44.00 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 -4.04 0.46 0.07 -0.67 6.02 0.27 -4.05 117.38 115.44 1s78 n GLN 462 Ca 0.20 0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 57.18 1s78 n GLN 462 Cb 0.69 -1.69 -0.08 0.00 1.02 0.00 0.00 30.24 30.19 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 0.00-10.46 1.08 4.07 -0.74 -3.46 115.31 105.79 1s78 h LEU 463 Ca 0.00 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.49 1s78 h LEU 463 Cb 0.87 0.00 0.12 0.00 1.08 0.00 0.00 40.66 42.73 1s78 h LEU 463 CO 0.00 0.83 0.31 -0.36 -1.08 0.00 0.00 178.44 178.14 1s78 s PHE 464 N -2.79 2.63 0.00 1.13 2.99 -1.14 -1.10 117.98 119.70 1s78 s PHE 464 Ca 0.01 0.96 0.00 0.00 0.00 0.00 0.00 56.93 57.90 1s78 s PHE 464 Cb 0.09 -3.29 0.00 0.00 0.00 0.00 0.00 43.02 39.82 1s78 s PHE 464 CO 0.80 -2.15 0.08 0.54 -0.00 0.00 0.00 175.22 174.49 1s78 n ARG 465 N -3.64 -0.06 -3.60 0.44 5.12 -1.26 -4.89 116.66 108.77 1s78 n ARG 465 Ca 0.07 -0.08 -0.16 0.00 -1.93 0.00 0.00 57.85 55.74 1s78 n ARG 465 Cb 0.58 -0.54 -0.07 0.00 -1.16 0.00 0.00 32.46 31.27 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 -0.01 -0.48 0.52 0.55 2.20 -1.26 -5.06 114.94 111.40 1s78 s ASN 466 Ca 0.00 0.45 0.35 0.00 -0.94 0.00 0.00 52.86 52.72 1s78 s ASN 466 Cb 0.00 0.46 1.85 0.00 -2.00 0.00 0.00 41.25 41.56 1s78 s ASN 466 CO 0.00 -0.57 2.06 1.55 -2.94 0.00 0.00 177.10 177.20 1s78 h PRO 467 N 3.25 0.00 -0.00 3.55 0.13 -1.99 -1.23 132.00 135.71 1s78 h PRO 467 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1s78 h PRO 467 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1s78 h PRO 467 CO 0.40 0.00 -0.02 0.72 -0.23 0.00 0.00 178.00 178.86 1s78 n HIS 468 N -2.74 0.00 -3.17 1.56 8.25 -1.26 -4.89 115.22 112.97 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 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 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 -2.16 3.68 -0.01 -0.41 -0.21 -0.47 -4.39 119.66 115.70 1s78 s GLN 469 Ca 0.40 0.17 -0.29 0.00 0.02 0.00 0.00 55.36 55.66 1s78 s GLN 469 Cb 0.21 -2.56 0.10 0.00 1.00 0.00 0.00 33.01 31.77 1s78 s GLN 469 CO 0.39 0.13 0.92 0.00 -2.12 0.00 0.00 175.29 174.61 1s78 s ALA 470 N -2.18 -1.83 -0.36 6.09 0.00 -1.26 -5.03 121.76 117.18 1s78 s ALA 470 Ca 0.46 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 1s78 s ALA 470 Cb -0.11 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 1s78 s ALA 470 CO 0.30 -0.71 0.41 -1.17 0.00 0.00 0.00 175.76 174.60 1s78 s LEU 471 N -2.49 4.50 -0.12 0.00 1.98 -1.26 -1.78 118.68 119.50 1s78 s LEU 471 Ca 0.06 -0.27 -0.12 0.00 -2.89 0.00 0.00 54.13 50.91 1s78 s LEU 471 Cb -0.01 -2.41 -0.05 0.00 0.66 0.00 0.00 46.19 44.39 1s78 s LEU 471 CO -0.08 -0.42 0.26 -0.76 -1.89 0.00 0.00 176.35 173.47 1s78 s LEU 472 N 2.13 4.33 -0.25 -0.68 1.43 0.88 -4.99 118.68 121.52 1s78 s LEU 472 Ca 0.13 0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 53.61 1s78 s LEU 472 Cb -0.16 -2.32 0.07 0.00 0.03 0.00 0.00 46.19 43.81 1s78 s LEU 472 CO 0.12 0.23 0.64 -1.38 0.23 0.00 0.00 176.35 176.20 1s78 s HIS 473 N -0.26 -0.80 0.19 0.29 -3.43 -1.26 -1.56 115.29 108.47 1s78 s HIS 473 Ca 0.17 1.82 -0.17 0.00 -0.80 0.00 0.00 55.06 56.08 1s78 s HIS 473 Cb -0.13 0.35 0.03 0.00 -1.43 0.00 0.00 32.58 31.40 1s78 s HIS 473 CO 0.05 -0.40 0.52 -0.08 -2.00 0.00 0.00 174.74 172.84 1s78 s THR 474 N 0.78 0.03 -1.86 -5.38 -1.32 -1.20 -4.98 115.64 101.70 1s78 s THR 474 Ca -0.03 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 1s78 s THR 474 Cb -0.05 -1.57 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1s78 s THR 474 CO -0.06 -0.12 0.00 0.00 -2.21 0.00 0.00 174.62 172.23 1s78 n ALA 475 N -0.34 -0.53 -2.54 11.08 0.00 -1.26 -1.77 120.51 125.15 1s78 n ALA 475 Ca -0.10 0.22 -0.06 0.00 0.00 0.00 0.00 53.44 53.49 1s78 n ALA 475 Cb 0.62 -2.09 0.03 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.77 0.43 -4.69 0.00 3.02 -1.26 -3.04 115.26 107.95 1s78 n ASN 476 Ca -0.23 -1.34 -0.42 0.00 -0.03 0.00 0.00 54.58 52.56 1s78 n ASN 476 Cb 0.68 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 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 -3.00 4.34 0.26 3.52 3.52 -1.17 -4.90 118.95 121.53 1s78 s ARG 477 Ca 0.18 1.71 -0.31 0.00 -0.13 0.00 0.00 55.73 57.18 1s78 s ARG 477 Cb -0.01 -3.56 -0.12 0.00 -1.56 0.00 0.00 34.95 29.70 1s78 s ARG 477 CO 0.12 -0.47 1.62 -2.30 -0.81 0.00 0.00 175.30 173.46 1s78 n PRO 478 N 5.24 2.67 -0.33 5.12 -0.02 -1.26 -4.80 135.00 141.63 1s78 n PRO 478 Ca 0.11 0.95 0.02 0.00 -2.02 0.00 0.00 63.50 62.57 1s78 n PRO 478 Cb 0.46 -2.75 0.17 0.00 -0.02 0.00 0.00 33.50 31.36 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 5.32 0.96 -0.35 -0.52 4.22 -1.94 -0.07 114.58 122.21 1s78 h GLU 479 Ca -0.46 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 58.91 1s78 h GLU 479 Cb 1.22 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1s78 h GLU 479 CO 0.84 0.64 0.15 0.38 -2.18 0.00 0.00 179.01 178.83 1s78 h ASP 480 N 0.99 0.43 -0.31 1.04 2.03 -2.00 -0.71 116.42 117.90 1s78 h ASP 480 Ca 0.41 -0.04 -0.06 0.00 -0.73 0.00 0.00 57.03 56.61 1s78 h ASP 480 Cb 0.25 -0.11 -0.02 0.00 -0.83 0.00 0.00 39.33 38.62 1s78 h ASP 480 CO -0.20 0.38 -0.00 -0.08 -1.03 0.00 0.00 179.24 178.31 1s78 h GLU 481 N 0.48 0.65 0.18 4.15 4.81 -1.38 -1.37 114.58 122.11 1s78 h GLU 481 Ca 0.12 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1s78 h GLU 481 Cb 0.08 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1s78 h GLU 481 CO -0.01 0.68 -0.09 0.00 -0.73 0.00 0.00 179.01 178.86 1s78 h VAL 483 N -0.70 1.20 0.00 0.00 -1.51 -1.31 -0.71 116.25 113.22 1s78 h VAL 483 Ca -0.02 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1s78 h VAL 483 Cb 0.49 -0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.51 1s78 h VAL 483 CO 0.04 0.23 0.00 1.23 -1.23 0.00 0.00 177.57 177.84 1s78 h GLY 484 N 1.24 0.00 -3.19 5.19 0.00 -1.24 0.51 103.07 105.57 1s78 h GLY 484 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 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 -3.04 4.31 -3.17 4.80 2.13 -0.28 -4.96 120.64 120.44 1s78 n GLU 485 Ca -0.02 -2.73 -0.12 0.00 0.66 0.00 0.00 57.16 54.94 1s78 n GLU 485 Cb 0.13 -2.14 0.06 0.00 0.27 0.00 0.00 31.44 29.76 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 0.60 -1.12 3.04 8.31 0.00 0.18 -5.04 105.19 111.15 1s78 n GLY 486 Ca 0.24 0.55 -0.23 0.00 0.00 0.00 0.00 46.02 46.58 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 -5.10 1.78 -0.00 0.99 1.43 -1.16 -5.03 118.68 111.59 1s78 s LEU 487 Ca 0.38 -0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 52.95 1s78 s LEU 487 Cb -0.05 -0.71 0.09 0.00 0.03 0.00 0.00 46.19 45.55 1s78 s LEU 487 CO 0.72 0.08 0.79 0.00 0.23 0.00 0.00 176.35 178.17 1s78 s ALA 488 N 0.26 -1.77 0.45 4.21 0.00 -1.26 -4.37 121.76 119.28 1s78 s ALA 488 Ca -0.06 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.71 1s78 s ALA 488 Cb -0.11 0.23 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 1s78 s ALA 488 CO 0.01 -0.57 1.29 0.00 0.00 0.00 0.00 175.76 176.49 1s78 n HIS 490 N -0.39 2.64 -0.25 0.00 -0.00 -1.26 -4.85 115.22 111.10 1s78 n HIS 490 Ca 0.07 0.46 0.32 0.00 0.46 0.00 0.00 57.72 59.03 1s78 n HIS 490 Cb 0.41 -2.46 0.64 0.00 -0.12 0.00 0.00 29.99 28.46 1s78 n HIS 490 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1s78 h GLN 491 N 2.41 0.00 -0.16 1.57 1.08 -1.95 -1.01 115.11 117.04 1s78 h GLN 491 Ca -0.50 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1s78 h GLN 491 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1s78 h GLN 491 CO 0.61 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.77 1s78 n LEU 492 N -3.66 1.41 -4.58 1.46 4.32 -1.26 -4.82 117.00 109.87 1s78 n LEU 492 Ca 0.24 -0.60 -0.41 0.00 -0.02 0.00 0.00 56.01 55.21 1s78 n LEU 492 Cb 1.35 -0.10 -0.07 0.00 -1.62 0.00 0.00 43.42 42.97 1s78 n LEU 492 CO 0.31 0.30 0.31 0.00 -1.22 0.00 0.00 177.39 177.10 1s78 n ALA 494 N 5.84 1.22 -0.98 0.00 0.00 -1.07 -2.47 120.51 123.04 1s78 n ALA 494 Ca -0.03 0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 1s78 n ALA 494 Cb 0.49 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 1s78 n ALA 494 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s78 n ARG 495 N -0.23 -1.79 -0.98 0.00 5.12 -1.26 -2.77 116.66 114.75 1s78 n ARG 495 Ca 0.08 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.55 1s78 n ARG 495 Cb 0.41 -4.65 0.00 0.00 -1.16 0.00 0.00 32.46 27.06 1s78 n ARG 495 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s78 n GLY 496 N 0.42 0.74 3.78 -0.13 0.00 -1.03 -5.03 105.19 103.93 1s78 n GLY 496 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.93 3.62 0.19 1.61 3.76 -1.11 -4.71 115.29 115.71 1s78 s HIS 497 Ca 0.00 0.94 -0.22 0.00 -0.15 0.00 0.00 55.06 55.63 1s78 s HIS 497 Cb 0.00 -2.42 0.06 0.00 1.11 0.00 0.00 32.58 31.33 1s78 s HIS 497 CO 0.00 0.41 0.61 0.00 -0.85 0.00 0.00 174.74 174.91 1s78 n TRP 499 N -0.39 0.14 -0.90 0.00 7.02 0.02 -3.82 117.44 119.51 1s78 n TRP 499 Ca -0.14 -0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 1s78 n TRP 499 Cb 0.64 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.53 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 1.39 -1.68 3.84 6.99 0.00 -1.26 -0.42 105.19 114.05 1s78 n GLY 500 Ca 0.16 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.68 3.65 0.00 1.61 0.04 -1.26 -4.73 135.00 132.63 1s78 s PRO 501 Ca 0.00 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1s78 s PRO 501 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1s78 s PRO 501 CO 0.00 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.92 1s78 n GLY 502 N -1.77 2.25 0.00 0.56 0.00 -1.26 -4.58 105.19 100.39 1s78 n GLY 502 Ca 0.07 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.35 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 1.91 0.29 0.08 1.61 -0.04 -1.26 -2.89 135.00 134.69 1s78 n PRO 503 Ca 0.00 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1s78 n PRO 503 Cb 0.00 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.21 1s78 n PRO 503 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1s78 n THR 504 N -1.20 0.46 -0.02 0.52 -2.24 -1.26 -2.57 114.28 107.96 1s78 n THR 504 Ca 0.08 -0.29 0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1s78 n THR 504 Cb 0.10 -0.30 0.20 0.00 -2.10 0.00 0.00 70.33 68.23 1s78 n THR 504 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s78 n GLN 505 N -2.19 2.46 -2.34 -0.78 1.13 -1.14 -4.91 117.38 109.61 1s78 n GLN 505 Ca 0.04 -2.16 -0.37 0.00 -1.94 0.00 0.00 57.00 52.57 1s78 n GLN 505 Cb 0.44 -1.40 -0.02 0.00 0.11 0.00 0.00 30.24 29.37 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 1.98 1.28 -3.23 0.00 2.07 -1.87 -3.43 116.25 113.04 1s78 h VAL 507 Ca -0.49 -1.92 -0.34 0.00 0.82 0.00 0.00 66.70 64.77 1s78 h VAL 507 Cb 1.24 1.95 -0.38 0.00 -1.52 0.00 0.00 31.29 32.58 1s78 h VAL 507 CO 0.61 0.61 -0.70 0.20 0.02 0.00 0.00 177.57 178.31 1s78 s ASN 508 N -7.05 0.96 -0.01 0.57 0.01 -1.26 -5.11 114.94 103.05 1s78 s ASN 508 Ca -0.11 0.17 -0.30 0.00 -0.71 0.00 0.00 52.86 51.92 1s78 s ASN 508 Cb 0.09 0.02 -0.06 0.00 0.41 0.00 0.00 41.25 41.70 1s78 s ASN 508 CO 0.90 -0.24 1.63 0.00 -1.51 0.00 0.00 177.10 177.88 1s78 h SER 510 N 9.00 0.14 0.00 0.00 0.87 -1.70 -3.44 113.55 118.42 1s78 h SER 510 Ca -0.40 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1s78 h SER 510 Cb 1.19 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1s78 h SER 510 CO 0.94 0.11 0.00 0.00 -0.53 0.00 0.00 176.83 177.35 1s78 n GLN 511 N -5.00 0.00 -4.22 2.24 1.13 -1.26 -5.01 117.38 105.26 1s78 n GLN 511 Ca -0.05 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.81 1s78 n GLN 511 Cb 0.03 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.26 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 0.83 1.42 -0.35 1.08 0.40 -1.01 -4.90 117.98 115.45 1s78 s PHE 512 Ca 0.00 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.78 1s78 s PHE 512 Cb 0.00 -0.79 0.01 0.00 0.51 0.00 0.00 43.02 42.75 1s78 s PHE 512 CO 0.00 0.11 0.21 -0.51 0.70 0.00 0.00 175.22 175.72 1s78 s LEU 513 N -1.77 4.54 -0.42 -0.37 1.43 -1.24 -0.52 118.68 120.34 1s78 s LEU 513 Ca 0.01 -0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 52.31 1s78 s LEU 513 Cb -0.10 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.17 1s78 s LEU 513 CO 0.03 -0.31 0.24 -0.60 0.23 0.00 0.00 176.35 175.94 1s78 s ARG 514 N 1.62 2.31 6.89 1.70 3.52 0.72 -0.29 118.95 135.42 1s78 s ARG 514 Ca 0.04 -1.68 0.00 0.00 -0.13 0.00 0.00 55.73 53.96 1s78 s ARG 514 Cb -0.18 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 1s78 s ARG 514 CO 0.08 -1.05 0.00 0.41 -0.81 0.00 0.00 175.30 173.93 1s78 n GLY 515 N 4.76 2.20 1.36 8.12 0.00 -1.26 -2.06 105.19 118.30 1s78 n GLY 515 Ca -0.06 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 13.18 3.07 -3.76 1.61 1.13 -1.26 -4.93 117.38 126.41 1s78 n GLN 516 Ca 0.00 -2.49 -0.35 0.00 -1.94 0.00 0.00 57.00 52.22 1s78 n GLN 516 Cb 0.00 -1.70 -0.08 0.00 0.11 0.00 0.00 30.24 28.57 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 -1.52 4.08 -0.17 -1.09 2.12 -0.88 -4.39 118.70 116.85 1s78 s GLU 517 Ca 0.45 -0.21 -0.29 0.00 0.36 0.00 0.00 54.97 55.28 1s78 s GLU 517 Cb 0.27 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.26 1s78 s GLU 517 CO 0.25 0.36 1.30 0.00 -0.54 0.00 0.00 175.26 176.63 1s78 s VAL 519 N 3.65 2.18 0.11 0.00 -7.23 0.32 -4.87 120.40 114.55 1s78 s VAL 519 Ca 0.56 -1.57 -0.17 0.00 -1.81 0.00 0.00 61.98 59.00 1s78 s VAL 519 Cb -0.22 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1s78 s VAL 519 CO 0.16 0.22 1.59 -0.08 -0.31 0.00 0.00 175.10 176.69 1s78 h GLU 520 N 4.34 0.55 -5.47 4.82 4.57 -1.96 -2.67 114.58 118.76 1s78 h GLU 520 Ca -0.49 -0.14 -0.52 0.00 -1.18 0.00 0.00 59.36 57.03 1s78 h GLU 520 Cb 1.16 -0.07 -0.29 0.00 -0.16 0.00 0.00 28.75 29.39 1s78 h GLU 520 CO 0.41 0.63 -0.82 -1.21 -1.18 0.00 0.00 179.01 176.83 1s78 s GLU 521 N -5.21 1.30 0.83 1.92 0.41 -1.26 -4.65 118.70 112.05 1s78 s GLU 521 Ca -0.13 -0.57 -0.14 0.00 -0.41 0.00 0.00 54.97 53.72 1s78 s GLU 521 Cb 0.09 -1.25 0.20 0.00 -1.78 0.00 0.00 34.13 31.39 1s78 s GLU 521 CO 0.76 0.34 0.88 0.00 -0.49 0.00 0.00 175.26 176.75 1s78 n ARG 523 N -3.60 4.10 0.01 0.00 1.74 -1.26 -4.82 116.66 112.83 1s78 n ARG 523 Ca 0.12 -4.63 -0.19 0.00 -0.77 0.00 0.00 57.85 52.38 1s78 n ARG 523 Cb 0.43 -2.42 -0.14 0.00 -1.02 0.00 0.00 32.46 29.31 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 3.13 0.75 0.00 1.55 2.07 -1.94 0.50 116.25 122.31 1s78 h VAL 524 Ca 0.25 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1s78 h VAL 524 Cb 0.57 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1s78 h VAL 524 CO 1.16 0.81 -0.76 0.18 0.02 0.00 0.00 177.57 178.98 1s78 n LEU 525 N -3.41 0.00 -3.10 2.57 4.77 -1.26 -4.21 117.00 112.35 1s78 n LEU 525 Ca -0.27 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.55 1s78 n LEU 525 Cb 1.05 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.13 1s78 n LEU 525 CO 0.45 0.00 -0.13 0.00 -1.33 0.00 0.00 177.39 176.38 1s78 n GLN 526 N -1.57 0.98 -4.46 3.23 10.64 -1.26 -3.28 117.38 121.66 1s78 n GLN 526 Ca 0.00 -3.13 -0.22 0.00 -1.83 0.00 0.00 57.00 51.82 1s78 n GLN 526 Cb 0.32 -1.58 -0.10 0.00 -0.86 0.00 0.00 30.24 28.02 1s78 n GLN 526 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1s78 s GLY 527 N -2.25 2.14 0.00 2.61 0.00 -1.26 -5.01 107.32 103.54 1s78 s GLY 527 Ca 0.37 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1s78 s GLY 527 CO -0.07 -1.83 0.17 1.04 0.00 0.00 0.00 173.10 172.42 1s78 n LEU 528 N -0.72 0.80 -4.55 0.66 4.77 -1.26 -4.50 117.00 112.20 1s78 n LEU 528 Ca -0.03 0.44 -0.43 0.00 -0.03 0.00 0.00 56.01 55.96 1s78 n LEU 528 Cb 0.66 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1s78 n LEU 528 CO 0.42 -0.33 0.69 -2.84 -1.33 0.00 0.00 177.39 174.00 1s78 s PRO 529 N -1.01 3.48 0.36 3.23 0.02 -1.26 -5.04 135.00 134.77 1s78 s PRO 529 Ca 0.00 0.05 -0.28 0.00 0.02 0.00 0.00 61.00 60.79 1s78 s PRO 529 Cb 0.00 -3.94 -0.10 0.00 0.02 0.00 0.00 34.50 30.48 1s78 s PRO 529 CO 0.00 -1.21 1.30 1.03 -0.33 0.00 0.00 177.00 177.79 1s78 s ARG 530 N 3.63 4.20 0.13 5.54 1.81 -1.26 -4.82 118.95 128.17 1s78 s ARG 530 Ca 0.34 2.17 0.05 0.00 -1.72 0.00 0.00 55.73 56.57 1s78 s ARG 530 Cb -0.11 -2.94 -0.04 0.00 -0.45 0.00 0.00 34.95 31.41 1s78 s ARG 530 CO 0.25 -0.30 -0.11 -1.21 -0.68 0.00 0.00 175.30 173.24 1s78 s GLU 531 N -1.98 0.99 0.22 3.54 2.02 0.17 -2.95 118.70 120.72 1s78 s GLU 531 Ca 0.52 -1.31 0.08 0.00 0.02 0.00 0.00 54.97 54.28 1s78 s GLU 531 Cb -0.39 -0.67 -0.04 0.00 0.10 0.00 0.00 34.13 33.13 1s78 s GLU 531 CO 0.51 0.10 0.03 1.52 0.02 0.00 0.00 175.26 177.44 1s78 s TYR 532 N -2.77 2.83 -0.22 1.61 -0.85 0.75 -4.08 117.35 114.62 1s78 s TYR 532 Ca 0.11 -0.17 -0.07 0.00 -0.52 0.00 0.00 57.07 56.42 1s78 s TYR 532 Cb -0.01 -1.31 -0.04 0.00 0.38 0.00 0.00 41.96 40.99 1s78 s TYR 532 CO 0.01 0.56 0.07 0.08 -1.52 0.00 0.00 175.55 174.75 1s78 s VAL 533 N -2.03 4.56 -0.30 -3.49 1.01 -1.26 -1.40 120.40 117.49 1s78 s VAL 533 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1s78 s VAL 533 Cb -0.08 -3.10 0.09 0.00 0.00 0.00 0.00 36.38 33.30 1s78 s VAL 533 CO 0.20 0.39 0.06 0.21 0.00 0.00 0.00 175.10 175.97 1s78 s ASN 534 N 1.04 4.13 -1.02 3.32 3.84 -1.02 -4.88 114.94 120.35 1s78 s ASN 534 Ca 0.04 -1.67 -0.14 0.00 0.21 0.00 0.00 52.86 51.31 1s78 s ASN 534 Cb -0.14 -1.07 -0.01 0.00 -0.55 0.00 0.00 41.25 39.48 1s78 s ASN 534 CO 0.03 -0.38 0.76 0.00 -2.79 0.00 0.00 177.10 174.72 1s78 n ALA 535 N 4.69 -2.58 -3.47 1.71 0.00 -1.26 -3.51 120.51 116.10 1s78 n ALA 535 Ca -0.02 -0.18 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 1s78 n ALA 535 Cb 0.43 -3.29 0.05 0.00 0.00 0.00 0.00 19.45 16.63 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 -3.49 -1.61 -3.66 0.00 5.12 -1.26 -5.03 116.66 106.72 1s78 n ARG 536 Ca -0.11 0.72 -0.10 0.00 -1.93 0.00 0.00 57.85 56.43 1s78 n ARG 536 Cb 0.59 -4.84 -0.08 0.00 -1.16 0.00 0.00 32.46 26.97 1s78 n ARG 536 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1s78 s HIS 537 N -3.37 -0.83 -0.28 -1.55 3.76 -1.23 -3.60 115.29 108.19 1s78 s HIS 537 Ca 0.41 1.79 -0.22 0.00 -0.15 0.00 0.00 55.06 56.88 1s78 s HIS 537 Cb -0.11 0.42 -0.01 0.00 1.11 0.00 0.00 32.58 33.99 1s78 s HIS 537 CO 0.81 -0.42 0.71 0.00 -0.85 0.00 0.00 174.74 174.99 1s78 s LEU 539 N 2.71 1.62 0.59 0.00 1.43 -0.49 -4.59 118.68 119.95 1s78 s LEU 539 Ca 0.29 -0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 1s78 s LEU 539 Cb -0.15 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 1s78 s LEU 539 CO 0.10 0.03 1.06 -2.84 0.23 0.00 0.00 176.35 174.93 1s78 s PRO 540 N 0.56 3.33 0.93 1.29 0.02 -1.26 -0.18 135.00 139.69 1s78 s PRO 540 Ca -0.10 1.22 -0.16 0.00 0.02 0.00 0.00 61.00 61.98 1s78 s PRO 540 Cb -0.13 -2.03 0.22 0.00 0.02 0.00 0.00 34.50 32.57 1s78 s PRO 540 CO 0.02 -0.80 1.22 0.00 -0.33 0.00 0.00 177.00 177.11 1s78 s HIS 542 N -3.64 2.98 0.09 0.00 2.46 -0.86 -4.87 115.29 111.45 1s78 s HIS 542 Ca 0.70 0.74 0.10 0.00 0.47 0.00 0.00 55.06 57.08 1s78 s HIS 542 Cb -0.02 -3.94 0.57 0.00 -0.13 0.00 0.00 32.58 29.06 1s78 s HIS 542 CO 0.49 -3.31 1.19 -2.30 -2.47 0.00 0.00 174.74 168.34 1s78 n PRO 543 N 3.17 0.08 -1.73 2.88 -0.02 -1.26 -1.52 135.00 136.60 1s78 n PRO 543 Ca 0.11 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.83 1s78 n PRO 543 Cb 0.38 -2.14 0.05 0.00 -0.02 0.00 0.00 33.50 31.78 1s78 n PRO 543 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1s78 n GLU 544 N -1.99 3.09 -4.21 -0.52 -0.58 -1.26 -4.95 120.64 110.22 1s78 n GLU 544 Ca -0.01 -3.73 -0.34 0.00 -0.42 0.00 0.00 57.16 52.66 1s78 n GLU 544 Cb 0.41 -2.28 -0.13 0.00 -0.57 0.00 0.00 31.44 28.87 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 0.87 3.95 0.35 0.00 -0.44 -1.26 -4.95 119.66 118.17 1s78 s GLN 546 Ca -0.01 2.45 -0.28 0.00 -2.50 0.00 0.00 55.36 55.03 1s78 s GLN 546 Cb -0.15 -4.19 -0.10 0.00 -1.64 0.00 0.00 33.01 26.94 1s78 s GLN 546 CO 0.01 -1.17 1.34 -2.14 0.50 0.00 0.00 175.29 173.84 1s78 s PRO 547 N 4.79 4.23 0.00 1.67 0.02 -1.26 -4.77 135.00 139.68 1s78 s PRO 547 Ca 0.89 2.28 0.01 0.00 0.02 0.00 0.00 61.00 64.20 1s78 s PRO 547 Cb -0.40 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 1s78 s PRO 547 CO 0.39 -0.32 0.03 -0.65 -0.33 0.00 0.00 177.00 176.12 1s78 s GLN 548 N -1.94 2.87 -0.81 5.54 -1.52 -1.26 -5.06 119.66 117.48 1s78 s GLN 548 Ca 0.51 -0.58 -0.26 0.00 -1.95 0.00 0.00 55.36 53.08 1s78 s GLN 548 Cb -0.41 -2.73 0.03 0.00 -0.22 0.00 0.00 33.01 29.69 1s78 s GLN 548 CO 0.54 0.63 1.32 -0.80 -0.25 0.00 0.00 175.29 176.74 1s78 s ASN 549 N -1.64 6.24 -1.08 5.90 0.01 -1.26 -3.97 114.94 119.13 1s78 s ASN 549 Ca 0.21 -0.68 -0.05 0.00 -0.71 0.00 0.00 52.86 51.62 1s78 s ASN 549 Cb -0.12 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 38.99 1s78 s ASN 549 CO 0.12 -1.76 0.94 0.61 -1.51 0.00 0.00 177.10 175.49 1s78 n GLY 550 N 5.74 -0.27 3.59 0.66 0.00 -1.21 -5.02 105.19 108.69 1s78 n GLY 550 Ca 0.10 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.52 -0.18 0.11 1.61 0.15 -1.26 -5.03 113.70 105.59 1s78 s SER 551 Ca 0.34 -0.68 -0.31 0.00 0.70 0.00 0.00 55.95 56.00 1s78 s SER 551 Cb -0.15 0.60 -0.09 0.00 -1.71 0.00 0.00 66.02 64.66 1s78 s SER 551 CO 0.60 -1.12 1.63 -0.69 1.20 0.00 0.00 173.24 174.86 1s78 s VAL 552 N -3.94 2.84 -0.08 4.45 1.01 -1.26 -4.50 120.40 118.93 1s78 s VAL 552 Ca 0.15 0.44 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 1s78 s VAL 552 Cb -0.01 -3.28 -0.29 0.00 0.00 0.00 0.00 36.38 32.79 1s78 s VAL 552 CO 0.03 0.01 0.56 0.74 0.00 0.00 0.00 175.10 176.44 1s78 h THR 553 N 4.49 0.83 -3.90 3.92 2.02 -1.90 -3.45 112.91 114.91 1s78 h THR 553 Ca -0.43 -2.45 -0.11 0.00 0.77 0.00 0.00 66.41 64.20 1s78 h THR 553 Cb 1.20 2.67 -0.12 0.00 -1.74 0.00 0.00 68.15 70.17 1s78 h THR 553 CO 0.92 0.87 -0.28 0.00 0.37 0.00 0.00 175.52 177.40 1s78 n PHE 555 N -0.29 0.00 -3.54 0.00 3.72 -1.01 -4.82 117.46 111.51 1s78 n PHE 555 Ca -0.03 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.31 1s78 n PHE 555 Cb 0.63 -0.32 0.01 0.00 -0.94 0.00 0.00 39.48 38.86 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 1.66 1.79 0.09 1.37 0.00 -1.26 -4.97 105.19 103.87 1s78 n GLY 556 Ca -0.02 -1.25 -0.04 0.00 0.00 0.00 0.00 46.02 44.71 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 -7.68 1.61 0.13 -1.94 -3.42 132.00 120.70 1s78 h PRO 557 Ca -0.17 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.51 1s78 h PRO 557 Cb 0.65 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.91 1s78 h PRO 557 CO 0.22 0.83 0.38 -1.21 -0.23 0.00 0.00 178.00 177.99 1s78 s GLU 558 N -3.01 1.21 0.38 0.86 8.01 -1.26 -2.03 118.70 122.86 1s78 s GLU 558 Ca 0.01 -0.30 0.21 0.00 0.01 0.00 0.00 54.97 54.89 1s78 s GLU 558 Cb 0.11 -1.93 0.46 0.00 -4.31 0.00 0.00 34.13 28.45 1s78 s GLU 558 CO 0.79 -2.03 1.63 0.00 0.01 0.00 0.00 175.26 175.67 1s78 h ALA 559 N -1.32 0.87 0.00 5.21 0.00 -1.97 -3.11 119.26 118.95 1s78 h ALA 559 Ca -0.44 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1s78 h ALA 559 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1s78 h ALA 559 CO 0.48 0.33 0.00 -0.40 0.00 0.00 0.00 179.25 179.66 1s78 n ASP 560 N -3.23 0.58 -0.04 0.00 5.75 -1.26 -3.36 116.55 114.98 1s78 n ASP 560 Ca 0.02 0.59 0.11 0.00 -0.01 0.00 0.00 54.79 55.50 1s78 n ASP 560 Cb 0.57 -0.73 0.08 0.00 -1.03 0.00 0.00 41.12 40.01 1s78 n ASP 560 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s78 n GLN 561 N -2.08 0.11 -1.14 0.11 6.02 -1.17 -4.95 117.38 114.27 1s78 n GLN 561 Ca 0.04 -0.08 -0.30 0.00 -0.01 0.00 0.00 57.00 56.65 1s78 n GLN 561 Cb 0.33 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.23 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 -1.58 1.20 0.00 0.00 3.04 -1.83 -3.48 116.25 113.60 1s78 h VAL 563 Ca -0.49 -2.98 0.00 0.00 -1.01 0.00 0.00 66.70 62.22 1s78 h VAL 563 Cb 1.28 2.61 0.00 0.00 -2.01 0.00 0.00 31.29 33.17 1s78 h VAL 563 CO 0.53 0.70 0.00 0.00 -1.01 0.00 0.00 177.57 177.79