#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bc3 n PRO 2 N 0.00 -0.23 0.18 0.00 -0.02 -1.26 -4.88 135.00 128.79 3bc3 n PRO 2 Ca 0.00 -0.01 0.04 0.00 -2.02 0.00 0.00 63.50 61.51 3bc3 n PRO 2 Cb 0.00 -2.13 0.34 0.00 -0.02 0.00 0.00 33.50 31.69 3bc3 n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bc3 h ARG 3 N -1.48 0.00 -3.70 -0.52 2.47 -2.03 -3.45 114.38 105.68 3bc3 h ARG 3 Ca -0.44 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.13 3bc3 h ARG 3 Cb 1.29 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.40 3bc3 h ARG 3 CO 0.39 0.41 -0.58 -1.12 0.56 0.00 0.00 179.97 179.64 3bc3 s SER 4 N -6.66 0.11 -0.08 7.04 0.01 -1.26 -4.50 113.70 108.36 3bc3 s SER 4 Ca -0.01 -0.32 -0.10 0.00 1.31 0.00 0.00 55.95 56.83 3bc3 s SER 4 Cb 0.13 0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.54 3bc3 s SER 4 CO 0.71 -0.34 0.26 -0.69 0.41 0.00 0.00 173.24 173.59 3bc3 s VAL 5 N -1.40 0.02 -0.41 3.43 1.01 -0.25 -4.96 120.40 117.84 3bc3 s VAL 5 Ca -0.15 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.75 3bc3 s VAL 5 Cb -0.08 -0.41 0.18 0.00 0.00 0.00 0.00 36.38 36.06 3bc3 s VAL 5 CO 0.01 -0.08 0.58 -0.62 0.00 0.00 0.00 175.10 174.98 3bc3 s ASP 6 N -0.24 -0.90 0.13 3.32 -1.08 -1.26 -0.47 116.67 116.17 3bc3 s ASP 6 Ca -0.04 -1.06 0.09 0.00 -0.52 0.00 0.00 52.55 51.03 3bc3 s ASP 6 Cb -0.03 1.62 0.49 0.00 -1.46 0.00 0.00 42.92 43.54 3bc3 s ASP 6 CO 0.01 -0.18 1.28 0.79 0.52 0.00 0.00 175.17 177.59 3bc3 n TRP 7 N 4.25 0.30 0.23 -5.34 7.02 -0.29 -1.66 117.44 121.95 3bc3 n TRP 7 Ca 0.12 0.15 0.07 0.00 -1.02 0.00 0.00 57.50 56.82 3bc3 n TRP 7 Cb 0.54 -0.74 0.54 0.00 -2.42 0.00 0.00 31.31 29.23 3bc3 n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3bc3 h ARG 8 N 0.00 0.00 0.00 -0.99 3.08 -1.95 -2.36 114.38 112.16 3bc3 h ARG 8 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3bc3 h ARG 8 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3bc3 h ARG 8 CO 0.00 0.18 -0.21 0.93 -1.07 0.00 0.00 179.97 179.79 3bc3 h GLU 9 N 0.00 0.00 -0.15 0.04 5.08 -1.72 -3.10 114.58 114.72 3bc3 h GLU 9 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bc3 h GLU 9 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3bc3 h GLU 9 CO 0.02 0.21 0.00 1.63 -1.00 0.00 0.00 179.01 179.88 3bc3 n LYS 10 N -4.14 2.32 -1.04 2.33 4.76 -0.89 -4.97 118.16 116.52 3bc3 n LYS 10 Ca -0.02 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.47 3bc3 n LYS 10 Cb 0.28 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3bc3 n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bc3 n GLY 11 N 1.38 0.68 0.05 0.72 0.00 -1.17 -4.96 105.19 101.89 3bc3 n GLY 11 Ca 0.16 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.58 3bc3 n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3bc3 n TYR 12 N -2.91 0.46 -5.00 1.61 4.02 -1.18 -4.75 117.16 109.42 3bc3 n TYR 12 Ca 0.00 0.13 -0.32 0.00 -0.01 0.00 0.00 57.90 57.70 3bc3 n TYR 12 Cb 0.16 -0.59 -0.15 0.00 -0.02 0.00 0.00 39.34 38.74 3bc3 n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3bc3 s VAL 13 N -3.17 2.63 0.70 -0.72 1.01 -1.26 -3.75 120.40 115.84 3bc3 s VAL 13 Ca 0.06 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 3bc3 s VAL 13 Cb 0.14 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.52 3bc3 s VAL 13 CO 0.74 0.55 1.03 0.42 0.00 0.00 0.00 175.10 177.85 3bc3 s THR 14 N 0.04 2.69 1.07 3.92 -4.23 -1.26 -5.00 115.64 112.87 3bc3 s THR 14 Ca -0.07 -0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.27 3bc3 s THR 14 Cb -0.15 -3.16 0.23 0.00 1.34 0.00 0.00 72.50 70.76 3bc3 s THR 14 CO 0.05 -0.19 1.07 -2.84 -0.54 0.00 0.00 174.62 172.17 3bc3 s PRO 15 N -5.27 -0.22 0.19 3.99 0.02 -1.26 -4.92 135.00 127.53 3bc3 s PRO 15 Ca 0.59 1.02 -0.30 0.00 0.02 0.00 0.00 61.00 62.33 3bc3 s PRO 15 Cb -0.11 -1.62 -0.08 0.00 0.02 0.00 0.00 34.50 32.71 3bc3 s PRO 15 CO 0.47 -3.31 1.27 0.08 -0.33 0.00 0.00 177.00 175.18 3bc3 s VAL 16 N -2.56 3.33 0.46 3.83 1.01 -1.26 -5.04 120.40 120.17 3bc3 s VAL 16 Ca 0.67 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.83 3bc3 s VAL 16 Cb -0.24 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3bc3 s VAL 16 CO 0.62 0.17 0.44 -0.54 0.00 0.00 0.00 175.10 175.79 3bc3 s LYS 17 N -0.17 2.48 -0.19 2.72 1.02 -1.26 -4.61 119.74 119.73 3bc3 s LYS 17 Ca 0.55 -1.62 -0.00 0.00 0.02 0.00 0.00 55.97 54.92 3bc3 s LYS 17 Cb -0.35 -2.38 0.05 0.00 -0.52 0.00 0.00 37.83 34.63 3bc3 s LYS 17 CO 0.38 -0.35 -0.05 1.21 -0.92 0.00 0.00 175.35 175.62 3bc3 s ASN 18 N -4.23 3.09 0.32 2.83 3.84 -1.26 -1.55 114.94 117.98 3bc3 s ASN 18 Ca 0.47 -0.80 0.26 0.00 0.21 0.00 0.00 52.86 53.00 3bc3 s ASN 18 Cb -0.04 -0.95 1.02 0.00 -0.55 0.00 0.00 41.25 40.73 3bc3 s ASN 18 CO 0.28 -0.21 1.77 0.06 -2.79 0.00 0.00 177.10 176.22 3bc3 h GLN 19 N 8.09 0.00 0.00 0.43 3.07 -1.13 -3.47 115.11 122.10 3bc3 h GLN 19 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.52 3bc3 h GLN 19 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.66 3bc3 h GLN 19 CO 0.40 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.73 3bc3 n GLY 20 N 0.19 0.46 2.57 0.06 0.00 -1.26 -3.74 105.19 103.47 3bc3 n GLY 20 Ca 0.02 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3bc3 n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bc3 n GLN 21 N 0.00 4.32 -3.73 1.61 6.02 -1.26 -4.85 117.38 119.48 3bc3 n GLN 21 Ca 0.00 -3.43 -0.12 0.00 -0.01 0.00 0.00 57.00 53.43 3bc3 n GLN 21 Cb 0.00 -2.71 -0.11 0.00 1.02 0.00 0.00 30.24 28.44 3bc3 n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3bc3 n GLY 23 N 3.39 2.72 3.29 0.00 0.00 0.65 -4.94 105.19 110.29 3bc3 n GLY 23 Ca -0.17 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 3bc3 n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bc3 s SER 24 N 2.07 5.97 0.00 1.61 1.04 -1.26 -3.05 113.70 120.07 3bc3 s SER 24 Ca 0.47 -1.68 0.00 0.00 0.48 0.00 0.00 55.95 55.22 3bc3 s SER 24 Cb 0.23 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 64.23 3bc3 s SER 24 CO 0.00 -0.72 0.00 -2.67 0.98 0.00 0.00 173.24 170.83 3bc3 n TRP 26 N 5.10 0.00 -0.07 5.02 4.27 -1.26 -2.57 117.44 127.93 3bc3 n TRP 26 Ca -0.11 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.35 3bc3 n TRP 26 Cb 0.41 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.31 3bc3 n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3bc3 h ALA 27 N 0.00 0.38 -0.37 -1.67 0.00 -1.91 -1.72 119.26 113.98 3bc3 h ALA 27 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 3bc3 h ALA 27 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3bc3 h ALA 27 CO 0.00 0.56 -0.23 0.74 0.00 0.00 0.00 179.25 180.31 3bc3 h PHE 28 N 0.49 0.95 -0.86 0.00 -1.00 -1.86 0.49 116.94 115.14 3bc3 h PHE 28 Ca 0.01 -0.25 -0.01 0.00 2.81 0.00 0.00 57.97 60.53 3bc3 h PHE 28 Cb 1.10 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 40.41 3bc3 h PHE 28 CO 0.08 1.02 0.51 1.03 -1.61 0.00 0.00 178.31 179.33 3bc3 h SER 29 N 0.60 1.04 -0.16 2.17 0.87 -1.82 0.12 113.55 116.38 3bc3 h SER 29 Ca 0.08 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 3bc3 h SER 29 Cb 0.80 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3bc3 h SER 29 CO 0.06 0.81 -0.06 0.00 -0.53 0.00 0.00 176.83 177.12 3bc3 h ALA 30 N 1.37 0.22 -0.70 6.23 0.00 -1.08 -2.22 119.26 123.07 3bc3 h ALA 30 Ca 0.31 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3bc3 h ALA 30 Cb -0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3bc3 h ALA 30 CO -0.06 0.01 0.27 1.79 0.00 0.00 0.00 179.25 181.26 3bc3 h THR 31 N 0.01 1.24 -0.51 0.00 1.35 -0.60 -1.27 112.91 113.14 3bc3 h THR 31 Ca 0.04 -0.78 0.03 0.00 -0.55 0.00 0.00 66.41 65.15 3bc3 h THR 31 Cb 0.51 0.42 -0.04 0.00 -1.73 0.00 0.00 68.15 67.31 3bc3 h THR 31 CO 0.02 0.31 0.29 1.23 -0.25 0.00 0.00 175.52 177.12 3bc3 h GLY 32 N 1.09 0.72 1.09 5.82 0.00 -0.69 0.26 103.07 111.35 3bc3 h GLY 32 Ca 0.24 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 3bc3 h GLY 32 CO -0.02 0.17 -0.16 0.00 0.00 0.00 0.00 176.54 176.53 3bc3 h ALA 33 N 1.24 0.70 -0.39 3.60 0.00 -1.08 -2.56 119.26 120.76 3bc3 h ALA 33 Ca 0.21 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3bc3 h ALA 33 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3bc3 h ALA 33 CO -0.11 0.65 -0.21 1.25 0.00 0.00 0.00 179.25 180.82 3bc3 h LEU 34 N 0.86 0.86 -1.29 0.00 6.46 -0.91 -1.00 115.31 120.28 3bc3 h LEU 34 Ca 0.12 -0.41 0.07 0.00 -0.12 0.00 0.00 57.88 57.54 3bc3 h LEU 34 Cb 0.74 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.38 3bc3 h LEU 34 CO 0.06 1.08 0.52 -0.33 -0.62 0.00 0.00 178.44 179.16 3bc3 h GLU 35 N 0.63 0.83 -0.23 1.25 5.08 -0.46 0.46 114.58 122.14 3bc3 h GLU 35 Ca 0.08 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3bc3 h GLU 35 Cb 0.77 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 3bc3 h GLU 35 CO 0.06 0.55 -0.27 0.78 -1.00 0.00 0.00 179.01 179.12 3bc3 h GLY 36 N 0.85 0.65 1.77 -3.84 0.00 -1.05 -1.59 103.07 99.86 3bc3 h GLY 36 Ca 0.35 -0.69 -0.16 0.00 0.00 0.00 0.00 47.33 46.83 3bc3 h GLY 36 CO -0.12 0.62 -0.70 1.46 0.00 0.00 0.00 176.54 177.80 3bc3 h GLN 37 N 0.29 0.23 -0.18 4.80 1.08 -0.60 -2.61 115.11 118.12 3bc3 h GLN 37 Ca 0.03 -0.18 -0.14 0.00 -1.45 0.00 0.00 58.65 56.90 3bc3 h GLN 37 Cb 0.84 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 3bc3 h GLN 37 CO 0.07 0.83 -0.49 0.52 -0.95 0.00 0.00 178.83 178.81 3bc3 h MET 38 N 0.16 0.48 -0.68 1.46 2.86 -0.10 -1.81 114.93 117.29 3bc3 h MET 38 Ca -0.02 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.31 3bc3 h MET 38 Cb 1.24 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.89 3bc3 h MET 38 CO 0.11 0.86 0.27 0.35 1.06 0.00 0.00 176.91 179.56 3bc3 h PHE 39 N 0.38 1.04 -0.28 -0.22 3.57 -1.18 -0.04 116.94 120.20 3bc3 h PHE 39 Ca 0.02 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.35 3bc3 h PHE 39 Cb 1.00 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3bc3 h PHE 39 CO 0.04 0.81 -0.21 -0.09 -2.23 0.00 0.00 178.31 176.63 3bc3 h ARG 40 N 0.97 0.52 0.12 1.11 2.43 -1.29 0.69 114.38 118.92 3bc3 h ARG 40 Ca 0.23 -0.18 -0.27 0.00 -0.81 0.00 0.00 59.98 58.95 3bc3 h ARG 40 Cb 0.21 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3bc3 h ARG 40 CO -0.02 0.70 -1.21 -0.22 -1.51 0.00 0.00 179.97 177.71 3bc3 h LYS 41 N 0.46 0.31 0.00 0.20 3.64 -0.94 -3.39 116.57 116.86 3bc3 h LYS 41 Ca 0.07 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3bc3 h LYS 41 Cb 0.62 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3bc3 h LYS 41 CO 0.04 1.22 -0.81 0.25 -2.27 0.00 0.00 179.45 177.88 3bc3 n THR 42 N -3.58 0.00 -0.88 1.00 -2.24 -0.06 -5.00 114.28 103.52 3bc3 n THR 42 Ca -0.09 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3bc3 n THR 42 Cb 1.00 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 3bc3 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bc3 n GLY 43 N 1.81 0.73 3.17 3.38 0.00 0.24 -5.02 105.19 109.50 3bc3 n GLY 43 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3bc3 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bc3 s ARG 44 N -0.12 2.86 -0.36 1.61 0.52 -1.25 -5.01 118.95 117.20 3bc3 s ARG 44 Ca 0.00 -0.81 -0.18 0.00 -0.52 0.00 0.00 55.73 54.22 3bc3 s ARG 44 Cb 0.00 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.21 3bc3 s ARG 44 CO 0.00 0.06 0.52 -1.17 0.02 0.00 0.00 175.30 174.72 3bc3 s LEU 45 N 0.64 4.41 -0.09 2.53 2.96 -1.26 -3.91 118.68 123.95 3bc3 s LEU 45 Ca -0.12 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 3bc3 s LEU 45 Cb -0.16 -2.58 0.01 0.00 0.50 0.00 0.00 46.19 43.96 3bc3 s LEU 45 CO 0.03 -0.51 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.76 3bc3 s ILE 46 N 2.41 1.46 0.14 6.68 1.09 -1.26 -5.11 121.20 126.61 3bc3 s ILE 46 Ca 0.18 -0.64 -0.31 0.00 -1.10 0.00 0.00 60.65 58.78 3bc3 s ILE 46 Cb -0.15 -1.32 -0.09 0.00 -1.06 0.00 0.00 42.46 39.83 3bc3 s ILE 46 CO 0.14 0.43 1.55 -0.55 -0.10 0.00 0.00 174.94 176.41 3bc3 s SER 47 N 0.79 6.62 0.29 3.58 0.15 -1.26 -4.81 113.70 119.07 3bc3 s SER 47 Ca -0.11 2.55 0.01 0.00 0.70 0.00 0.00 55.95 59.11 3bc3 s SER 47 Cb -0.16 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 3bc3 s SER 47 CO 0.02 -0.81 0.47 -0.76 1.20 0.00 0.00 173.24 173.36 3bc3 s LEU 48 N 1.36 4.13 -0.48 3.45 1.43 -1.26 -0.01 118.68 127.30 3bc3 s LEU 48 Ca 0.70 0.35 -0.27 0.00 -1.03 0.00 0.00 54.13 53.87 3bc3 s LEU 48 Cb -0.42 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 42.65 3bc3 s LEU 48 CO 0.31 -0.19 1.05 -0.55 0.23 0.00 0.00 176.35 177.19 3bc3 s SER 49 N -3.86 6.55 0.20 2.29 0.15 -0.47 -4.03 113.70 114.53 3bc3 s SER 49 Ca 0.38 0.26 -0.00 0.00 0.70 0.00 0.00 55.95 57.29 3bc3 s SER 49 Cb -0.10 -2.50 0.12 0.00 -1.71 0.00 0.00 66.02 61.83 3bc3 s SER 49 CO 0.33 -1.19 1.48 -0.33 1.20 0.00 0.00 173.24 174.73 3bc3 h GLU 50 N 9.20 0.40 -0.56 5.44 3.07 -1.88 -3.10 114.58 127.15 3bc3 h GLU 50 Ca -0.24 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.33 3bc3 h GLU 50 Cb 1.07 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.00 3bc3 h GLU 50 CO 1.09 0.92 0.33 0.37 -1.40 0.00 0.00 179.01 180.31 3bc3 h GLN 51 N 0.29 0.76 -0.41 2.33 5.75 -1.82 0.31 115.11 122.31 3bc3 h GLN 51 Ca -0.02 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3bc3 h GLN 51 Cb 1.20 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.56 3bc3 h GLN 51 CO 0.11 0.54 0.20 -0.97 -2.65 0.00 0.00 178.83 176.06 3bc3 h ASN 52 N 0.77 0.29 -0.24 -0.69 -0.00 -1.78 -0.36 115.58 113.56 3bc3 h ASN 52 Ca 0.20 0.02 -0.05 0.00 -0.00 0.00 0.00 56.30 56.48 3bc3 h ASN 52 Cb -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.27 3bc3 h ASN 52 CO -0.04 0.21 -0.03 -0.07 -0.00 0.00 0.00 177.43 177.50 3bc3 h LEU 53 N 0.41 0.45 -0.89 0.34 3.38 -1.38 -1.71 115.31 115.91 3bc3 h LEU 53 Ca 0.18 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3bc3 h LEU 53 Cb 0.09 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3bc3 h LEU 53 CO -0.13 0.68 0.57 0.58 0.09 0.00 0.00 178.44 180.23 3bc3 h VAL 54 N 0.21 1.15 0.00 1.22 2.07 -0.66 -0.99 116.25 119.25 3bc3 h VAL 54 Ca 0.07 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 3bc3 h VAL 54 Cb 0.47 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3bc3 h VAL 54 CO 0.02 0.20 -0.96 0.44 0.02 0.00 0.00 177.57 177.29 3bc3 h ASP 55 N 1.11 0.00 0.00 0.57 3.32 -1.06 -3.39 116.42 116.98 3bc3 h ASP 55 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3bc3 h ASP 55 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3bc3 h ASP 55 CO -0.12 0.63 -1.03 0.00 -1.72 0.00 0.00 179.24 177.00 3bc3 n SER 57 N -1.57 2.03 -0.19 0.00 3.41 -0.38 -4.31 113.62 112.61 3bc3 n SER 57 Ca -0.01 -2.20 -0.05 0.00 -0.26 0.00 0.00 58.87 56.35 3bc3 n SER 57 Cb 0.16 -0.54 0.04 0.00 -0.26 0.00 0.00 64.21 63.61 3bc3 n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3bc3 h GLY 58 N 4.76 0.78 1.25 5.00 0.00 -1.82 -2.65 103.07 110.39 3bc3 h GLY 58 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.13 3bc3 h GLY 58 CO 0.11 0.22 0.39 -2.55 0.00 0.00 0.00 176.54 174.71 3bc3 h PRO 59 N 0.67 0.60 0.00 4.80 0.11 -1.87 -1.54 132.00 134.77 3bc3 h PRO 59 Ca 0.22 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3bc3 h PRO 59 Cb 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.98 3bc3 h PRO 59 CO -0.09 0.40 0.00 1.04 -0.21 0.00 0.00 178.00 179.14 3bc3 n GLN 60 N -4.47 0.06 0.00 1.05 3.00 -1.02 -4.88 117.38 111.12 3bc3 n GLN 60 Ca 0.08 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 3bc3 n GLN 60 Cb 0.19 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.93 3bc3 n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3bc3 n GLY 61 N 0.65 1.02 3.86 1.08 0.00 -0.58 -4.84 105.19 106.38 3bc3 n GLY 61 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3bc3 n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bc3 s ASN 62 N -0.61 6.55 -0.35 1.61 0.01 -1.07 -4.86 114.94 116.23 3bc3 s ASN 62 Ca 0.00 1.39 0.06 0.00 -0.71 0.00 0.00 52.86 53.60 3bc3 s ASN 62 Cb 0.00 -2.44 0.45 0.00 0.41 0.00 0.00 41.25 39.67 3bc3 s ASN 62 CO 0.00 -0.54 1.18 -0.62 -1.51 0.00 0.00 177.10 175.61 3bc3 n GLU 63 N -1.58 3.54 0.00 -0.60 -0.58 0.14 -4.31 120.64 117.25 3bc3 n GLU 63 Ca 0.05 -4.27 0.00 0.00 -0.42 0.00 0.00 57.16 52.52 3bc3 n GLU 63 Cb 0.54 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 3bc3 n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bc3 n GLY 64 N -0.63 3.22 0.00 0.62 0.00 -1.24 -0.06 105.19 107.09 3bc3 n GLY 64 Ca 0.43 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.57 3bc3 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bc3 n ASN 66 N -1.10 2.39 0.00 0.00 3.02 0.91 -0.25 115.26 120.23 3bc3 n ASN 66 Ca 0.16 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 3bc3 n ASN 66 Cb 0.12 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 3bc3 n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bc3 n GLY 67 N 1.29 2.68 0.00 7.41 0.00 -1.13 -4.88 105.19 110.55 3bc3 n GLY 67 Ca 0.17 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3bc3 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bc3 n GLY 68 N -1.17 -1.11 3.02 -0.02 0.00 -1.26 0.24 105.19 104.89 3bc3 n GLY 68 Ca 0.00 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 3bc3 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bc3 s LEU 69 N 0.00 2.09 0.22 0.99 1.43 -1.26 -4.81 118.68 117.35 3bc3 s LEU 69 Ca 0.00 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 3bc3 s LEU 69 Cb 0.00 -0.31 0.19 0.00 0.03 0.00 0.00 46.19 46.10 3bc3 s LEU 69 CO 0.00 -0.00 1.87 0.24 0.23 0.00 0.00 176.35 178.69 3bc3 h MET 70 N 5.48 1.16 -0.88 1.70 2.86 -1.99 -1.96 114.93 121.30 3bc3 h MET 70 Ca -0.32 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.22 3bc3 h MET 70 Cb 1.19 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 3bc3 h MET 70 CO 0.47 0.81 0.55 -0.44 1.06 0.00 0.00 176.91 179.35 3bc3 h ASP 71 N 1.18 1.04 -0.44 1.22 5.19 -1.96 -0.26 116.42 122.37 3bc3 h ASP 71 Ca 0.31 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 3bc3 h ASP 71 Cb -0.06 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.17 3bc3 h ASP 71 CO -0.06 0.78 0.21 1.88 -3.12 0.00 0.00 179.24 178.94 3bc3 h TYR 72 N 1.20 0.68 -0.03 4.55 -1.99 -1.74 0.45 116.97 120.09 3bc3 h TYR 72 Ca 0.32 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.02 3bc3 h TYR 72 Cb -0.08 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.43 3bc3 h TYR 72 CO -0.00 0.52 -0.01 0.00 -0.00 0.00 0.00 178.16 178.66 3bc3 h ALA 73 N 1.55 0.04 -0.91 3.88 0.00 -0.58 -1.21 119.26 122.03 3bc3 h ALA 73 Ca 0.17 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3bc3 h ALA 73 Cb 0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 3bc3 h ALA 73 CO -0.02 -0.23 0.59 0.74 0.00 0.00 0.00 179.25 180.33 3bc3 h PHE 74 N -0.33 1.05 -0.43 0.00 0.04 -0.71 -1.60 116.94 114.96 3bc3 h PHE 74 Ca 0.01 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 3bc3 h PHE 74 Cb 0.44 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 3bc3 h PHE 74 CO 0.07 0.55 -0.18 0.37 -0.60 0.00 0.00 178.31 178.52 3bc3 h GLN 75 N 1.04 0.83 -0.23 1.51 5.75 -0.81 -2.43 115.11 120.77 3bc3 h GLN 75 Ca 0.39 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3bc3 h GLN 75 Cb 0.19 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 3bc3 h GLN 75 CO -0.15 0.95 0.13 -0.92 -2.65 0.00 0.00 178.83 176.19 3bc3 h TYR 76 N 0.73 0.31 -1.00 3.99 3.20 -0.33 -0.78 116.97 123.09 3bc3 h TYR 76 Ca 0.11 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.03 3bc3 h TYR 76 Cb 0.70 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.80 3bc3 h TYR 76 CO 0.04 0.26 0.65 0.28 -1.64 0.00 0.00 178.16 177.74 3bc3 h VAL 77 N 0.27 1.11 -0.12 1.81 2.07 -1.16 0.59 116.25 120.82 3bc3 h VAL 77 Ca 0.08 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3bc3 h VAL 77 Cb 0.05 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.63 3bc3 h VAL 77 CO -0.01 0.22 -0.05 -0.61 0.02 0.00 0.00 177.57 177.14 3bc3 h GLN 78 N 1.19 0.24 -0.59 1.57 4.15 -1.15 -0.00 115.11 120.52 3bc3 h GLN 78 Ca 0.42 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.69 3bc3 h GLN 78 Cb 0.13 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3bc3 h GLN 78 CO -0.16 0.57 0.18 -0.44 -1.93 0.00 0.00 178.83 177.05 3bc3 h ASP 79 N -0.09 0.85 1.08 -0.69 3.32 -0.68 -2.72 116.42 117.49 3bc3 h ASP 79 Ca 0.03 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3bc3 h ASP 79 Cb 0.49 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3bc3 h ASP 79 CO 0.02 0.83 0.00 -1.13 -1.72 0.00 0.00 179.24 177.24 3bc3 h ASN 80 N 0.83 0.00 -0.44 6.45 -1.24 0.20 -3.47 115.58 117.91 3bc3 h ASN 80 Ca 0.19 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 57.01 3bc3 h ASN 80 Cb 0.28 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.26 3bc3 h ASN 80 CO -0.01 0.00 -0.17 0.61 -1.29 0.00 0.00 177.43 176.57 3bc3 n GLY 81 N 0.28 1.09 0.00 1.57 0.00 -0.07 -4.93 105.19 103.13 3bc3 n GLY 81 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3bc3 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bc3 n GLY 82 N -1.76 0.79 3.33 -0.02 0.00 -0.86 -4.94 105.19 101.73 3bc3 n GLY 82 Ca -0.09 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 3bc3 n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bc3 s LEU 83 N 0.00 -0.15 0.60 0.99 2.96 -0.92 -4.67 118.68 117.49 3bc3 s LEU 83 Ca 0.00 0.98 -0.16 0.00 -0.22 0.00 0.00 54.13 54.73 3bc3 s LEU 83 Cb 0.00 1.52 -0.03 0.00 0.50 0.00 0.00 46.19 48.18 3bc3 s LEU 83 CO 0.00 -0.19 1.08 -1.81 -1.32 0.00 0.00 176.35 174.10 3bc3 s ASP 84 N 1.24 5.63 0.69 3.68 1.01 -1.26 -1.59 116.67 126.07 3bc3 s ASP 84 Ca -0.08 1.91 -0.13 0.00 0.71 0.00 0.00 52.55 54.96 3bc3 s ASP 84 Cb -0.07 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.33 3bc3 s ASP 84 CO -0.11 -1.27 1.09 -0.94 0.21 0.00 0.00 175.17 174.14 3bc3 s SER 85 N -2.58 5.04 0.24 0.27 1.04 -1.13 -1.37 113.70 115.22 3bc3 s SER 85 Ca 0.66 1.88 -0.07 0.00 0.48 0.00 0.00 55.95 58.90 3bc3 s SER 85 Cb -0.18 -2.53 0.24 0.00 0.10 0.00 0.00 66.02 63.64 3bc3 s SER 85 CO 0.36 -1.67 1.91 -0.08 0.98 0.00 0.00 173.24 174.74 3bc3 h GLU 86 N -0.34 1.22 -0.76 4.02 4.57 -0.57 -1.72 114.58 120.99 3bc3 h GLU 86 Ca -0.45 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.64 3bc3 h GLU 86 Cb 1.23 -0.27 -0.04 0.00 -0.16 0.00 0.00 28.75 29.51 3bc3 h GLU 86 CO 0.54 0.81 0.42 1.49 -1.18 0.00 0.00 179.01 181.08 3bc3 h GLU 87 N 1.26 1.06 0.07 1.92 4.81 -1.92 -2.68 114.58 119.09 3bc3 h GLU 87 Ca 0.34 -0.12 -0.26 0.00 -0.13 0.00 0.00 59.36 59.20 3bc3 h GLU 87 Cb -0.13 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.02 3bc3 h GLU 87 CO -0.08 0.77 -1.28 0.66 -0.73 0.00 0.00 179.01 178.35 3bc3 h SER 88 N 1.06 0.23 -2.41 1.04 4.64 -1.86 -3.39 113.55 112.86 3bc3 h SER 88 Ca 0.27 -0.28 -0.60 0.00 -0.47 0.00 0.00 61.79 60.71 3bc3 h SER 88 Cb 0.03 -0.07 -0.42 0.00 -0.31 0.00 0.00 62.40 61.63 3bc3 h SER 88 CO -0.04 1.22 -0.65 0.00 -0.87 0.00 0.00 176.83 176.49 3bc3 n TYR 89 N -3.40 2.96 -1.08 4.77 4.19 -0.67 -5.01 117.16 118.92 3bc3 n TYR 89 Ca -0.09 -4.10 -0.35 0.00 3.31 0.00 0.00 57.90 56.67 3bc3 n TYR 89 Cb 1.00 -0.52 0.07 0.00 0.49 0.00 0.00 39.34 40.39 3bc3 n TYR 89 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 3bc3 n PRO 90 N 1.27 0.05 -3.17 2.98 -0.02 -1.02 -4.51 135.00 130.57 3bc3 n PRO 90 Ca 0.27 0.05 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 3bc3 n PRO 90 Cb 0.41 -1.62 -0.05 0.00 -0.02 0.00 0.00 33.50 32.22 3bc3 n PRO 90 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3bc3 s TYR 91 N -2.08 3.53 -0.61 6.00 5.04 -1.26 -4.64 117.35 123.34 3bc3 s TYR 91 Ca 0.58 1.06 0.08 0.00 -2.44 0.00 0.00 57.07 56.35 3bc3 s TYR 91 Cb -0.29 -2.69 -0.03 0.00 0.35 0.00 0.00 41.96 39.30 3bc3 s TYR 91 CO 0.66 0.11 0.48 0.39 -1.34 0.00 0.00 175.55 175.85 3bc3 n GLU 92 N 3.82 3.01 -2.46 4.97 1.02 -1.26 -5.01 120.64 124.72 3bc3 n GLU 92 Ca -0.04 -0.35 -0.21 0.00 -0.02 0.00 0.00 57.16 56.55 3bc3 n GLU 92 Cb 0.51 -0.97 -0.01 0.00 -0.02 0.00 0.00 31.44 30.96 3bc3 n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bc3 n ALA 93 N -0.61 -0.66 -3.63 0.62 0.00 -1.26 -4.96 120.51 110.00 3bc3 n ALA 93 Ca 0.03 0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.53 3bc3 n ALA 93 Cb 0.15 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.20 3bc3 n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3bc3 s THR 94 N -3.04 0.00 0.18 0.00 -1.32 -1.26 -4.59 115.64 105.62 3bc3 s THR 94 Ca 0.03 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.20 3bc3 s THR 94 Cb -0.01 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.89 3bc3 s THR 94 CO 0.04 0.00 1.41 -0.70 -2.21 0.00 0.00 174.62 173.16 3bc3 s GLU 95 N 0.44 4.31 0.34 7.08 2.12 -1.26 -4.97 118.70 126.76 3bc3 s GLU 95 Ca 0.00 2.18 0.04 0.00 0.36 0.00 0.00 54.97 57.55 3bc3 s GLU 95 Cb -0.05 -3.18 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 3bc3 s GLU 95 CO -0.03 -0.41 0.14 0.39 -0.54 0.00 0.00 175.26 174.80 3bc3 n GLU 96 N 3.11 0.61 -2.24 4.30 -0.58 -1.26 -5.07 120.64 119.52 3bc3 n GLU 96 Ca 0.09 -2.94 -0.37 0.00 -0.42 0.00 0.00 57.16 53.52 3bc3 n GLU 96 Cb 0.41 1.67 -0.00 0.00 -0.57 0.00 0.00 31.44 32.95 3bc3 n GLU 96 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3bc3 s SER 97 N -3.13 6.02 -0.13 1.62 1.04 -1.26 -4.58 113.70 113.28 3bc3 s SER 97 Ca 0.19 2.30 -0.29 0.00 0.48 0.00 0.00 55.95 58.63 3bc3 s SER 97 Cb 0.01 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 3bc3 s SER 97 CO 0.14 -1.02 1.85 0.00 0.98 0.00 0.00 173.24 175.19 3bc3 n LYS 99 N 7.81 1.97 -1.66 0.00 5.02 -1.26 -5.03 118.16 125.01 3bc3 n LYS 99 Ca 0.21 -3.11 -0.46 0.00 -2.02 0.00 0.00 58.31 52.94 3bc3 n LYS 99 Cb 0.44 -1.80 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 3bc3 n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3bc3 n TYR 100 N -1.04 2.11 -3.90 2.13 9.36 -1.26 -4.99 117.16 119.56 3bc3 n TYR 100 Ca 0.30 0.42 -0.29 0.00 3.32 0.00 0.00 57.90 61.65 3bc3 n TYR 100 Cb 0.98 -2.46 -0.16 0.00 -0.63 0.00 0.00 39.34 37.07 3bc3 n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3bc3 s ASN 101 N 0.41 3.13 0.45 2.98 3.84 -1.26 -5.02 114.94 119.46 3bc3 s ASN 101 Ca 0.71 -0.81 0.18 0.00 0.21 0.00 0.00 52.86 53.15 3bc3 s ASN 101 Cb -0.68 -0.99 1.14 0.00 -0.55 0.00 0.00 41.25 40.17 3bc3 s ASN 101 CO 0.47 -0.20 1.95 1.55 -2.79 0.00 0.00 177.10 178.09 3bc3 h PRO 102 N 8.07 0.30 -0.08 0.43 0.13 -1.99 -1.69 132.00 137.18 3bc3 h PRO 102 Ca -0.23 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.91 3bc3 h PRO 102 Cb 1.10 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3bc3 h PRO 102 CO 0.41 0.20 0.08 -0.22 -0.23 0.00 0.00 178.00 178.24 3bc3 h LYS 103 N 0.31 0.00 -0.55 0.86 3.64 -2.02 -1.62 116.57 117.19 3bc3 h LYS 103 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3bc3 h LYS 103 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3bc3 h LYS 103 CO -0.08 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.76 3bc3 n TYR 104 N -3.89 1.10 -2.34 1.91 4.01 -0.64 -4.98 117.16 112.33 3bc3 n TYR 104 Ca -0.01 -0.60 -0.42 0.00 -0.16 0.00 0.00 57.90 56.71 3bc3 n TYR 104 Cb 0.18 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 3bc3 n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3bc3 s SER 105 N -1.08 7.03 0.00 7.72 0.15 -0.61 -2.83 113.70 124.08 3bc3 s SER 105 Ca 0.43 2.20 0.00 0.00 0.70 0.00 0.00 55.95 59.29 3bc3 s SER 105 Cb 0.27 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 3bc3 s SER 105 CO 0.22 -0.46 0.52 1.33 1.20 0.00 0.00 173.24 176.05 3bc3 n VAL 106 N 3.13 0.27 -3.75 4.45 0.24 -0.62 -4.93 118.33 117.12 3bc3 n VAL 106 Ca 0.07 -0.40 -0.10 0.00 -2.04 0.00 0.00 64.34 61.88 3bc3 n VAL 106 Cb 0.45 1.10 -0.06 0.00 -1.47 0.00 0.00 33.84 33.85 3bc3 n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bc3 s ALA 107 N -0.27 -0.59 0.28 2.33 0.00 -1.22 -5.01 121.76 117.29 3bc3 s ALA 107 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.42 3bc3 s ALA 107 Cb 0.00 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.77 3bc3 s ALA 107 CO 0.00 -0.59 0.73 1.21 0.00 0.00 0.00 175.76 177.11 3bc3 s ASN 108 N -2.84 -0.24 0.05 0.00 3.04 -1.26 -2.15 114.94 111.54 3bc3 s ASN 108 Ca 0.05 -0.65 -0.23 0.00 0.04 0.00 0.00 52.86 52.07 3bc3 s ASN 108 Cb 0.03 0.73 0.06 0.00 -1.54 0.00 0.00 41.25 40.53 3bc3 s ASN 108 CO -0.11 -1.36 0.55 1.51 -3.04 0.00 0.00 177.10 174.65 3bc3 s ASP 109 N -2.93 -0.48 -0.54 -4.21 1.47 -1.26 -4.77 116.67 103.94 3bc3 s ASP 109 Ca 0.11 0.22 0.01 0.00 1.18 0.00 0.00 52.55 54.08 3bc3 s ASP 109 Cb -0.06 0.51 0.45 0.00 -0.34 0.00 0.00 42.92 43.48 3bc3 s ASP 109 CO 0.07 -0.73 1.73 0.41 0.68 0.00 0.00 175.17 177.32 3bc3 n THR 110 N 0.38 3.23 0.00 2.11 -1.04 0.18 -4.05 114.28 115.09 3bc3 n THR 110 Ca -0.18 -3.48 0.00 0.00 -2.04 0.00 0.00 64.05 58.35 3bc3 n THR 110 Cb 0.60 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 3bc3 n THR 110 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bc3 n GLY 111 N -0.82 -0.16 3.60 3.41 0.00 -1.26 -4.78 105.19 105.17 3bc3 n GLY 111 Ca 0.56 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 3bc3 n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bc3 s PHE 112 N 0.00 0.42 -0.10 1.61 -0.71 -1.26 -1.61 117.98 116.33 3bc3 s PHE 112 Ca 0.00 -0.79 0.00 0.00 -1.04 0.00 0.00 56.93 55.10 3bc3 s PHE 112 Cb 0.00 0.21 0.02 0.00 -1.21 0.00 0.00 43.02 42.05 3bc3 s PHE 112 CO 0.00 -1.06 -0.08 0.08 -1.34 0.00 0.00 175.22 172.82 3bc3 s VAL 113 N -3.77 1.00 -0.31 -2.49 1.01 0.67 -4.83 120.40 111.68 3bc3 s VAL 113 Ca 0.23 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 3bc3 s VAL 113 Cb -0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 3bc3 s VAL 113 CO 0.11 0.36 0.59 -1.81 0.00 0.00 0.00 175.10 174.34 3bc3 s ASP 114 N 1.50 6.45 0.31 3.32 1.01 -1.26 -2.05 116.67 125.95 3bc3 s ASP 114 Ca 0.01 0.36 -0.28 0.00 0.71 0.00 0.00 52.55 53.35 3bc3 s ASP 114 Cb -0.13 -2.31 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 3bc3 s ASP 114 CO -0.06 -0.44 1.03 -0.63 0.21 0.00 0.00 175.17 175.28 3bc3 s ILE 115 N 2.52 3.77 0.31 0.77 1.01 -0.77 -4.99 121.20 123.82 3bc3 s ILE 115 Ca 0.23 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 62.21 3bc3 s ILE 115 Cb -0.15 -3.97 -0.13 0.00 0.01 0.00 0.00 42.46 38.22 3bc3 s ILE 115 CO 0.12 0.26 1.28 -2.65 0.00 0.00 0.00 174.94 173.95 3bc3 n PRO 116 N 0.83 2.00 -0.51 2.79 -0.02 -1.26 -4.68 135.00 134.15 3bc3 n PRO 116 Ca 0.01 0.70 -0.14 0.00 -2.02 0.00 0.00 63.50 62.05 3bc3 n PRO 116 Cb 0.47 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3bc3 n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3bc3 n LYS 117 N 0.95 1.37 -4.14 -0.52 5.02 -1.26 -4.56 118.16 115.02 3bc3 n LYS 117 Ca 0.07 -1.04 -0.15 0.00 -2.02 0.00 0.00 58.31 55.17 3bc3 n LYS 117 Cb 0.34 -2.20 -0.13 0.00 -0.02 0.00 0.00 35.03 33.02 3bc3 n LYS 117 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3bc3 s GLN 118 N 3.52 0.49 0.40 1.97 1.11 -1.25 -4.80 119.66 121.10 3bc3 s GLN 118 Ca 0.28 -0.40 0.13 0.00 0.01 0.00 0.00 55.36 55.38 3bc3 s GLN 118 Cb 0.08 -0.40 0.83 0.00 -1.01 0.00 0.00 33.01 32.52 3bc3 s GLN 118 CO -0.02 0.10 1.89 0.93 0.01 0.00 0.00 175.29 178.20 3bc3 h GLU 119 N 5.47 0.01 -0.36 2.91 5.08 -1.88 -1.10 114.58 124.70 3bc3 h GLU 119 Ca -0.31 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 3bc3 h GLU 119 Cb 1.19 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3bc3 h GLU 119 CO 0.47 0.30 0.01 0.87 -1.00 0.00 0.00 179.01 179.65 3bc3 h LYS 120 N 0.01 0.64 -0.61 2.33 1.57 -1.96 -0.89 116.57 117.66 3bc3 h LYS 120 Ca -0.00 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 3bc3 h LYS 120 Cb 0.52 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3bc3 h LYS 120 CO 0.04 0.74 0.09 0.00 -0.57 0.00 0.00 179.45 179.75 3bc3 h ALA 121 N 0.87 1.01 -0.54 3.86 0.00 -1.75 -1.93 119.26 120.77 3bc3 h ALA 121 Ca 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3bc3 h ALA 121 Cb 0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3bc3 h ALA 121 CO 0.02 0.63 0.21 1.25 0.00 0.00 0.00 179.25 181.36 3bc3 h LEU 122 N 0.94 0.76 0.08 0.00 5.85 -1.02 -1.80 115.31 120.12 3bc3 h LEU 122 Ca 0.19 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3bc3 h LEU 122 Cb 0.42 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3bc3 h LEU 122 CO 0.01 0.73 -0.08 -0.03 -0.34 0.00 0.00 178.44 178.73 3bc3 h MET 123 N 0.74 -0.18 -1.01 1.25 4.05 -0.84 -1.00 114.93 117.94 3bc3 h MET 123 Ca 0.18 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.70 3bc3 h MET 123 Cb 0.21 0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 30.98 3bc3 h MET 123 CO -0.01 -0.12 0.64 0.87 0.23 0.00 0.00 176.91 178.52 3bc3 h LYS 124 N -0.18 1.08 0.11 0.39 1.57 -1.23 -0.59 116.57 117.72 3bc3 h LYS 124 Ca 0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3bc3 h LYS 124 Cb 0.18 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3bc3 h LYS 124 CO -0.03 0.71 -0.05 0.00 -0.57 0.00 0.00 179.45 179.50 3bc3 h ALA 125 N 1.49 -0.15 -0.54 3.86 0.00 -0.89 -1.05 119.26 121.98 3bc3 h ALA 125 Ca 0.46 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.34 3bc3 h ALA 125 Cb 0.30 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3bc3 h ALA 125 CO -0.21 -0.52 0.24 0.28 0.00 0.00 0.00 179.25 179.04 3bc3 h VAL 126 N -0.28 0.89 -0.79 0.00 2.07 -0.66 0.90 116.25 118.38 3bc3 h VAL 126 Ca -0.02 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3bc3 h VAL 126 Cb 0.23 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3bc3 h VAL 126 CO 0.03 0.09 0.37 0.00 0.02 0.00 0.00 177.57 178.07 3bc3 h ALA 127 N 1.32 1.02 0.00 1.67 0.00 -0.98 -3.08 119.26 119.21 3bc3 h ALA 127 Ca 0.25 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 3bc3 h ALA 127 Cb 0.21 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3bc3 h ALA 127 CO -0.21 0.60 -2.12 0.25 0.00 0.00 0.00 179.25 177.77 3bc3 n THR 128 N -4.34 0.89 -0.12 0.00 -2.24 -0.41 -4.76 114.28 103.29 3bc3 n THR 128 Ca 0.07 -0.71 -0.24 0.00 -2.27 0.00 0.00 64.05 60.90 3bc3 n THR 128 Cb 0.15 -0.34 -0.09 0.00 -2.10 0.00 0.00 70.33 67.95 3bc3 n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3bc3 n VAL 129 N -2.60 1.52 0.00 2.28 0.31 0.31 -5.07 118.33 115.08 3bc3 n VAL 129 Ca -0.20 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 3bc3 n VAL 129 Cb 0.91 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 3bc3 n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bc3 n GLY 130 N 1.32 0.86 3.63 2.92 0.00 -1.16 -4.93 105.19 107.83 3bc3 n GLY 130 Ca -0.43 -1.99 -0.45 0.00 0.00 0.00 0.00 46.02 43.16 3bc3 n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bc3 n PRO 131 N 0.00 1.68 -5.23 1.61 -0.02 -1.26 -4.42 135.00 127.37 3bc3 n PRO 131 Ca 0.00 0.59 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 3bc3 n PRO 131 Cb 0.00 -2.11 -0.17 0.00 -0.02 0.00 0.00 33.50 31.21 3bc3 n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3bc3 s ILE 132 N -0.68 2.04 0.05 4.25 -1.09 -0.15 -4.78 121.20 120.83 3bc3 s ILE 132 Ca 0.62 -1.03 -0.31 0.00 -2.23 0.00 0.00 60.65 57.71 3bc3 s ILE 132 Cb -0.68 -1.75 -0.06 0.00 -1.58 0.00 0.00 42.46 38.39 3bc3 s ILE 132 CO 0.57 0.56 1.30 -0.44 -1.23 0.00 0.00 174.94 175.70 3bc3 s SER 133 N 0.14 6.95 0.07 3.58 0.01 0.08 -0.97 113.70 123.56 3bc3 s SER 133 Ca -0.13 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.24 3bc3 s SER 133 Cb -0.16 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 3bc3 s SER 133 CO 0.07 -0.60 -0.04 0.68 0.41 0.00 0.00 173.24 173.76 3bc3 s VAL 134 N 1.55 0.39 -0.04 3.43 -7.23 -0.48 -0.70 120.40 117.34 3bc3 s VAL 134 Ca 0.61 -1.80 0.07 0.00 -1.81 0.00 0.00 61.98 59.04 3bc3 s VAL 134 Cb -0.31 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.10 3bc3 s VAL 134 CO 0.28 -0.92 -0.24 0.00 -0.31 0.00 0.00 175.10 173.91 3bc3 s ALA 135 N -3.66 2.04 0.21 1.32 0.00 -1.24 0.36 121.76 120.78 3bc3 s ALA 135 Ca 0.07 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3bc3 s ALA 135 Cb 0.06 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 3bc3 s ALA 135 CO -0.08 0.44 0.01 0.96 0.00 0.00 0.00 175.76 177.10 3bc3 s ILE 136 N -0.33 0.78 -0.55 0.00 -5.25 -0.02 -4.07 121.20 111.76 3bc3 s ILE 136 Ca 0.02 -2.00 -0.25 0.00 -0.99 0.00 0.00 60.65 57.43 3bc3 s ILE 136 Cb -0.12 -2.27 0.04 0.00 2.95 0.00 0.00 42.46 43.06 3bc3 s ILE 136 CO 0.01 -0.35 0.97 -0.62 -1.79 0.00 0.00 174.94 173.16 3bc3 s ASP 137 N -3.24 6.37 -0.04 4.36 2.15 -0.30 -1.88 116.67 124.08 3bc3 s ASP 137 Ca 0.28 -0.26 0.09 0.00 0.43 0.00 0.00 52.55 53.09 3bc3 s ASP 137 Cb 0.06 -2.45 0.24 0.00 -0.30 0.00 0.00 42.92 40.47 3bc3 s ASP 137 CO 0.07 -1.24 1.18 0.00 -0.17 0.00 0.00 175.17 175.01 3bc3 n ALA 138 N 7.55 2.25 -1.07 3.66 0.00 -1.26 -4.85 120.51 126.79 3bc3 n ALA 138 Ca 0.03 -1.43 -0.28 0.00 0.00 0.00 0.00 53.44 51.76 3bc3 n ALA 138 Cb 0.48 -0.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 3bc3 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bc3 n GLY 139 N -0.19 3.60 3.24 0.00 0.00 -1.26 -4.67 105.19 105.92 3bc3 n GLY 139 Ca 0.10 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 3bc3 n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bc3 s HIS 140 N 2.22 -0.22 0.30 1.61 3.76 -1.26 -5.05 115.29 116.65 3bc3 s HIS 140 Ca 0.60 0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 55.89 3bc3 s HIS 140 Cb 0.19 0.10 0.45 0.00 1.11 0.00 0.00 32.58 34.43 3bc3 s HIS 140 CO -0.04 -0.35 1.88 1.49 -0.85 0.00 0.00 174.74 176.87 3bc3 h GLU 141 N 4.17 0.86 -0.98 1.40 4.81 -1.99 -2.29 114.58 120.57 3bc3 h GLU 141 Ca -0.29 -0.13 0.20 0.00 -0.13 0.00 0.00 59.36 59.01 3bc3 h GLU 141 Cb 1.18 -0.15 -0.09 0.00 0.63 0.00 0.00 28.75 30.31 3bc3 h GLU 141 CO 0.38 0.71 0.62 0.66 -0.73 0.00 0.00 179.01 180.64 3bc3 h SER 142 N 0.85 0.64 0.05 1.04 4.64 -1.95 0.99 113.55 119.81 3bc3 h SER 142 Ca 0.20 0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.43 3bc3 h SER 142 Cb 0.17 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3bc3 h SER 142 CO -0.02 0.23 -0.71 0.15 -0.87 0.00 0.00 176.83 175.60 3bc3 h PHE 143 N 0.62 0.61 -0.83 4.77 3.57 -1.76 -1.92 116.94 121.99 3bc3 h PHE 143 Ca 0.55 -0.37 0.13 0.00 3.53 0.00 0.00 57.97 61.80 3bc3 h PHE 143 Cb 1.04 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.64 3bc3 h PHE 143 CO -0.00 1.22 0.44 1.25 -2.23 0.00 0.00 178.31 178.99 3bc3 h LEU 144 N -0.17 0.57 -3.36 0.59 5.85 -0.62 -2.04 115.31 116.13 3bc3 h LEU 144 Ca -0.10 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 3bc3 h LEU 144 Cb 1.46 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.40 3bc3 h LEU 144 CO 0.14 0.27 0.01 0.49 -0.34 0.00 0.00 178.44 179.01 3bc3 n PHE 145 N -4.83 1.17 -1.75 1.25 3.72 0.20 -4.97 117.46 112.24 3bc3 n PHE 145 Ca 0.16 -1.28 -0.41 0.00 -0.05 0.00 0.00 57.45 55.87 3bc3 n PHE 145 Cb 0.38 -0.44 0.01 0.00 -0.94 0.00 0.00 39.48 38.49 3bc3 n PHE 145 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3bc3 n TYR 146 N -0.83 2.64 0.03 1.38 9.36 -0.72 -4.95 117.16 124.07 3bc3 n TYR 146 Ca 0.30 0.46 -0.00 0.00 3.32 0.00 0.00 57.90 61.97 3bc3 n TYR 146 Cb 1.02 -2.46 -0.00 0.00 -0.63 0.00 0.00 39.34 37.27 3bc3 n TYR 146 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3bc3 n LYS 147 N 0.04 0.00 -3.96 2.98 5.02 -1.26 -3.16 118.16 117.82 3bc3 n LYS 147 Ca 0.04 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.24 3bc3 n LYS 147 Cb 0.40 -0.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.87 3bc3 n LYS 147 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3bc3 s GLU 148 N -2.00 1.74 0.00 1.97 4.04 -1.26 -3.36 118.70 119.82 3bc3 s GLU 148 Ca -0.00 -1.31 0.00 0.00 0.04 0.00 0.00 54.97 53.69 3bc3 s GLU 148 Cb 0.00 0.51 0.00 0.00 0.02 0.00 0.00 34.13 34.66 3bc3 s GLU 148 CO 0.00 -0.75 0.00 0.41 -1.84 0.00 0.00 175.26 173.08 3bc3 n GLY 149 N -0.44 -0.97 3.65 -3.83 0.00 -1.26 -4.83 105.19 97.51 3bc3 n GLY 149 Ca -0.02 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 3bc3 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bc3 s ILE 150 N -1.10 4.62 -0.06 -0.61 1.01 -1.26 -4.02 121.20 119.77 3bc3 s ILE 150 Ca 0.00 1.90 -0.30 0.00 0.00 0.00 0.00 60.65 62.25 3bc3 s ILE 150 Cb 0.00 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 3bc3 s ILE 150 CO 0.00 -0.29 1.24 -0.47 0.00 0.00 0.00 174.94 175.41 3bc3 s TYR 151 N 3.37 3.10 -0.17 3.97 5.04 0.27 -4.83 117.35 128.10 3bc3 s TYR 151 Ca 0.44 1.13 -0.05 0.00 -2.44 0.00 0.00 57.07 56.16 3bc3 s TYR 151 Cb -0.14 -3.47 0.06 0.00 0.35 0.00 0.00 41.96 38.77 3bc3 s TYR 151 CO 0.10 -1.52 0.11 0.12 -1.34 0.00 0.00 175.55 173.02 3bc3 s PHE 152 N 2.41 0.09 -0.33 4.97 5.36 -1.26 -1.82 117.98 127.40 3bc3 s PHE 152 Ca 0.57 -0.16 -0.06 0.00 -0.96 0.00 0.00 56.93 56.32 3bc3 s PHE 152 Cb -0.25 -0.61 0.04 0.00 -0.34 0.00 0.00 43.02 41.86 3bc3 s PHE 152 CO 0.22 -0.50 0.09 -2.00 -1.46 0.00 0.00 175.22 171.57 3bc3 s GLU 153 N 2.18 2.58 0.46 10.12 2.56 -1.26 -4.99 118.70 130.36 3bc3 s GLU 153 Ca 0.03 -1.20 0.25 0.00 0.00 0.00 0.00 54.97 54.05 3bc3 s GLU 153 Cb -0.16 -3.42 1.29 0.00 2.00 0.00 0.00 34.13 33.84 3bc3 s GLU 153 CO -0.09 -0.67 1.82 -1.35 -0.56 0.00 0.00 175.26 174.41 3bc3 h PRO 154 N 8.19 0.21 -0.04 4.30 0.11 -2.05 0.54 132.00 143.26 3bc3 h PRO 154 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3bc3 h PRO 154 Cb 1.08 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3bc3 h PRO 154 CO 0.59 0.14 0.00 -0.25 -0.21 0.00 0.00 178.00 178.28 3bc3 n ASP 155 N -4.43 0.85 -4.77 -2.05 8.00 -1.26 -4.94 116.55 107.96 3bc3 n ASP 155 Ca 0.23 -1.40 -0.38 0.00 0.71 0.00 0.00 54.79 53.95 3bc3 n ASP 155 Cb 0.95 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 3bc3 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bc3 s SER 157 N -1.13 5.45 -0.03 0.00 0.15 -1.26 -4.72 113.70 112.16 3bc3 s SER 157 Ca 0.63 -0.13 0.08 0.00 0.70 0.00 0.00 55.95 57.23 3bc3 s SER 157 Cb -0.33 -1.41 0.20 0.00 -1.71 0.00 0.00 66.02 62.77 3bc3 s SER 157 CO 0.41 0.09 1.15 -1.54 1.20 0.00 0.00 173.24 174.55 3bc3 n SER 158 N -0.18 2.57 0.00 5.45 3.41 -1.26 -2.67 113.62 120.94 3bc3 n SER 158 Ca -0.08 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 3bc3 n SER 158 Cb 0.54 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3bc3 n SER 158 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3bc3 n GLU 159 N -0.22 0.44 -1.05 4.33 0.28 -1.26 -4.38 120.64 118.78 3bc3 n GLU 159 Ca 0.08 -0.60 0.03 0.00 -0.16 0.00 0.00 57.16 56.51 3bc3 n GLU 159 Cb 0.42 -0.59 0.04 0.00 1.43 0.00 0.00 31.44 32.75 3bc3 n GLU 159 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3bc3 n ASP 160 N -0.08 0.89 -2.66 -1.84 5.75 -1.26 -5.12 116.55 112.23 3bc3 n ASP 160 Ca 0.00 -2.28 -0.28 0.00 -0.01 0.00 0.00 54.79 52.22 3bc3 n ASP 160 Cb 0.42 -0.31 -0.01 0.00 -1.03 0.00 0.00 41.12 40.19 3bc3 n ASP 160 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3bc3 n MET 161 N 0.08 0.00 0.00 0.11 2.81 -1.26 -4.89 117.12 113.96 3bc3 n MET 161 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3bc3 n MET 161 Cb 0.95 -0.61 0.00 0.00 -0.71 0.00 0.00 33.22 32.85 3bc3 n MET 161 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3bc3 n ASP 162 N 1.28 0.36 -3.75 7.83 5.75 -0.79 -4.91 116.55 122.32 3bc3 n ASP 162 Ca 0.10 -1.07 -0.20 0.00 -0.01 0.00 0.00 54.79 53.61 3bc3 n ASP 162 Cb 0.18 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.10 3bc3 n ASP 162 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3bc3 s HIS 163 N -0.07 0.33 -0.06 2.11 5.04 -0.81 -4.94 115.29 116.89 3bc3 s HIS 163 Ca 0.00 0.04 -0.24 0.00 -1.54 0.00 0.00 55.06 53.32 3bc3 s HIS 163 Cb 0.00 -0.56 -0.04 0.00 0.04 0.00 0.00 32.58 32.03 3bc3 s HIS 163 CO 0.00 -0.21 0.71 0.20 -2.34 0.00 0.00 174.74 173.10 3bc3 s GLY 164 N 1.72 2.64 0.11 1.59 0.00 -1.26 -0.84 107.32 111.28 3bc3 s GLY 164 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.90 3bc3 s GLY 164 CO -0.03 1.19 0.09 3.33 0.00 0.00 0.00 173.10 177.67 3bc3 n VAL 165 N 3.74 0.00 -4.17 1.40 0.24 0.16 -4.57 118.33 115.12 3bc3 n VAL 165 Ca -0.01 -0.79 -0.26 0.00 -2.04 0.00 0.00 64.34 61.24 3bc3 n VAL 165 Cb 0.51 0.38 -0.17 0.00 -1.47 0.00 0.00 33.84 33.10 3bc3 n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3bc3 s LEU 166 N 0.00 1.40 -0.36 1.34 2.96 -0.76 -1.38 118.68 121.89 3bc3 s LEU 166 Ca 0.12 -0.31 -0.21 0.00 -0.22 0.00 0.00 54.13 53.51 3bc3 s LEU 166 Cb 0.01 -0.86 0.00 0.00 0.50 0.00 0.00 46.19 45.84 3bc3 s LEU 166 CO 0.09 -0.06 0.68 -0.69 -1.32 0.00 0.00 176.35 175.05 3bc3 s VAL 167 N 1.29 4.85 -2.46 1.68 1.01 -0.14 1.00 120.40 127.63 3bc3 s VAL 167 Ca -0.03 0.69 0.20 0.00 0.00 0.00 0.00 61.98 62.84 3bc3 s VAL 167 Cb -0.14 -4.11 0.16 0.00 0.00 0.00 0.00 36.38 32.29 3bc3 s VAL 167 CO -0.04 -0.34 1.13 1.33 0.00 0.00 0.00 175.10 177.18 3bc3 n VAL 168 N 5.63 0.01 -3.49 2.92 0.24 0.01 -0.98 118.33 122.66 3bc3 n VAL 168 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3bc3 n VAL 168 Cb 0.48 1.40 0.00 0.00 -1.47 0.00 0.00 33.84 34.26 3bc3 n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bc3 n GLY 169 N 1.11 -0.72 3.52 7.63 0.00 -1.20 -1.14 105.19 114.39 3bc3 n GLY 169 Ca 0.12 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 3bc3 n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bc3 s TYR 170 N -3.00 -0.31 0.00 1.61 -0.85 0.38 -0.70 117.35 114.48 3bc3 s TYR 170 Ca 0.00 0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.77 3bc3 s TYR 170 Cb 0.00 0.53 0.00 0.00 0.38 0.00 0.00 41.96 42.87 3bc3 s TYR 170 CO 0.00 -0.47 0.00 0.41 -1.52 0.00 0.00 175.55 173.97 3bc3 n GLY 171 N -0.15 2.05 3.41 5.49 0.00 -0.64 -1.09 105.19 114.27 3bc3 n GLY 171 Ca -0.07 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 3bc3 n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bc3 s PHE 172 N -2.34 0.31 -0.10 1.61 -0.71 -1.26 -1.44 117.98 114.04 3bc3 s PHE 172 Ca 0.00 -0.67 0.00 0.00 -1.04 0.00 0.00 56.93 55.23 3bc3 s PHE 172 Cb 0.00 0.06 -0.02 0.00 -1.21 0.00 0.00 43.02 41.85 3bc3 s PHE 172 CO 0.00 -0.80 -0.10 -1.21 -1.34 0.00 0.00 175.22 171.77 3bc3 s GLU 173 N -3.96 3.12 0.00 1.99 2.02 -1.26 -4.99 118.70 115.61 3bc3 s GLU 173 Ca 0.17 -0.61 -0.00 0.00 0.02 0.00 0.00 54.97 54.54 3bc3 s GLU 173 Cb 0.02 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 3bc3 s GLU 173 CO 0.01 0.42 0.59 0.43 0.02 0.00 0.00 175.26 176.73 3bc3 n SER 174 N 2.95 0.27 0.00 -0.19 7.64 -1.26 -4.96 113.62 118.08 3bc3 n SER 174 Ca -0.18 -1.49 0.00 0.00 1.01 0.00 0.00 58.87 58.21 3bc3 n SER 174 Cb 0.53 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 3bc3 n SER 174 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3bc3 n ASN 180 N 2.85 0.00 -4.96 6.43 6.94 -1.26 -5.33 115.26 119.93 3bc3 n ASN 180 Ca 0.02 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.35 3bc3 n ASN 180 Cb 0.04 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.48 3bc3 n ASN 180 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3bc3 s LYS 181 N 0.00 3.00 0.01 -3.83 1.02 -1.26 -4.28 119.74 114.39 3bc3 s LYS 181 Ca 0.00 -0.54 -0.28 0.00 0.02 0.00 0.00 55.97 55.16 3bc3 s LYS 181 Cb 0.00 -2.56 0.10 0.00 -0.52 0.00 0.00 37.83 34.85 3bc3 s LYS 181 CO 0.00 -0.32 0.85 1.52 -0.92 0.00 0.00 175.35 176.48 3bc3 s TYR 182 N -2.57 -0.38 -0.15 3.18 -0.85 -0.52 -2.52 117.35 113.53 3bc3 s TYR 182 Ca 0.49 0.28 -0.07 0.00 -0.52 0.00 0.00 57.07 57.25 3bc3 s TYR 182 Cb -0.10 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 3bc3 s TYR 182 CO 0.38 -0.58 0.09 -1.58 -1.52 0.00 0.00 175.55 172.35 3bc3 s TRP 183 N -3.03 3.39 -0.48 -3.49 0.52 0.12 -1.62 118.94 114.35 3bc3 s TRP 183 Ca 0.04 0.31 -0.26 0.00 0.02 0.00 0.00 56.10 56.21 3bc3 s TRP 183 Cb -0.01 -2.00 0.03 0.00 -1.15 0.00 0.00 33.47 30.34 3bc3 s TRP 183 CO -0.08 0.44 0.96 -0.51 0.02 0.00 0.00 176.95 177.77 3bc3 s LEU 184 N -0.32 3.97 -0.16 2.99 1.43 0.13 -1.65 118.68 125.06 3bc3 s LEU 184 Ca 0.10 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3bc3 s LEU 184 Cb -0.12 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 3bc3 s LEU 184 CO 0.01 -1.11 -0.08 -0.69 0.23 0.00 0.00 176.35 174.71 3bc3 s VAL 185 N 3.89 3.38 -0.19 -1.59 1.01 -0.67 -0.81 120.40 125.42 3bc3 s VAL 185 Ca 0.37 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 3bc3 s VAL 185 Cb -0.10 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3bc3 s VAL 185 CO 0.26 0.49 0.55 -0.75 0.00 0.00 0.00 175.10 175.65 3bc3 s LYS 186 N 0.57 4.22 0.53 2.72 2.20 0.28 -1.38 119.74 128.88 3bc3 s LYS 186 Ca -0.05 0.49 0.09 0.00 -0.36 0.00 0.00 55.97 56.13 3bc3 s LYS 186 Cb -0.15 -3.55 0.06 0.00 -1.51 0.00 0.00 37.83 32.68 3bc3 s LYS 186 CO 0.03 -0.14 0.69 1.21 -0.36 0.00 0.00 175.35 176.77 3bc3 s ASN 187 N 1.11 5.19 -0.29 1.43 2.47 -0.85 -1.82 114.94 122.18 3bc3 s ASN 187 Ca 0.26 -0.78 0.10 0.00 0.42 0.00 0.00 52.86 52.87 3bc3 s ASN 187 Cb -0.16 0.04 0.47 0.00 -1.45 0.00 0.00 41.25 40.15 3bc3 s ASN 187 CO 0.10 -1.15 1.17 -1.54 -3.72 0.00 0.00 177.10 171.96 3bc3 n SER 188 N -2.07 4.18 -0.91 -4.21 3.41 -1.26 -4.52 113.62 108.23 3bc3 n SER 188 Ca 0.12 -3.38 0.03 0.00 -0.26 0.00 0.00 58.87 55.38 3bc3 n SER 188 Cb 0.61 -0.38 0.22 0.00 -0.26 0.00 0.00 64.21 64.40 3bc3 n SER 188 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3bc3 n TRP 189 N -0.67 0.89 0.00 7.33 8.01 -1.21 -0.46 117.44 131.33 3bc3 n TRP 189 Ca 0.36 -1.22 0.00 0.00 -1.31 0.00 0.00 57.50 55.33 3bc3 n TRP 189 Cb 0.92 -0.37 0.00 0.00 -2.01 0.00 0.00 31.31 29.84 3bc3 n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bc3 n GLY 190 N -0.90 -0.25 0.04 6.99 0.00 -0.60 -4.40 105.19 106.07 3bc3 n GLY 190 Ca 0.26 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.75 3bc3 n GLY 190 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3bc3 n GLU 191 N -0.01 0.08 0.21 1.61 0.28 -1.26 -3.13 120.64 118.42 3bc3 n GLU 191 Ca 0.00 0.15 0.11 0.00 -0.16 0.00 0.00 57.16 57.26 3bc3 n GLU 191 Cb 0.00 -1.61 0.15 0.00 1.43 0.00 0.00 31.44 31.41 3bc3 n GLU 191 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3bc3 h GLU 192 N 0.00 0.00 -6.72 3.44 4.39 -1.87 -3.10 114.58 110.72 3bc3 h GLU 192 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 3bc3 h GLU 192 Cb 0.48 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 3bc3 h GLU 192 CO 0.00 0.06 0.22 -0.46 -1.16 0.00 0.00 179.01 177.67 3bc3 s TRP 193 N -3.18 3.66 0.00 4.33 -0.00 -1.18 -4.88 118.94 117.68 3bc3 s TRP 193 Ca 0.07 1.56 0.00 0.00 -0.00 0.00 0.00 56.10 57.73 3bc3 s TRP 193 Cb 0.05 -2.75 0.00 0.00 -0.00 0.00 0.00 33.47 30.77 3bc3 s TRP 193 CO 0.68 0.27 0.00 0.41 -0.00 0.00 0.00 176.95 178.31 3bc3 n GLY 194 N 0.60 2.41 3.38 5.86 0.00 -1.19 -0.57 105.19 115.69 3bc3 n GLY 194 Ca -0.00 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 3bc3 n GLY 194 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bc3 s MET 195 N 0.00 3.93 -1.84 1.61 -1.94 0.11 -4.38 119.30 116.79 3bc3 s MET 195 Ca 0.00 -2.66 0.00 0.00 -1.71 0.00 0.00 55.69 51.32 3bc3 s MET 195 Cb 0.00 -4.69 0.00 0.00 2.01 0.00 0.00 34.83 32.15 3bc3 s MET 195 CO 0.00 -1.45 0.00 0.41 -0.01 0.00 0.00 175.02 173.97 3bc3 n GLY 196 N 3.77 1.45 0.00 -0.03 0.00 -1.23 -1.11 105.19 108.04 3bc3 n GLY 196 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3bc3 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bc3 n GLY 197 N -0.82 0.43 3.84 -0.02 0.00 0.27 -4.47 105.19 104.41 3bc3 n GLY 197 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 3bc3 n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bc3 s TYR 198 N -2.00 3.03 -0.02 1.61 1.51 -0.27 -2.00 117.35 119.22 3bc3 s TYR 198 Ca 0.00 -0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3bc3 s TYR 198 Cb 0.00 -1.56 0.01 0.00 -0.11 0.00 0.00 41.96 40.29 3bc3 s TYR 198 CO 0.00 0.38 0.04 0.54 -1.11 0.00 0.00 175.55 175.40 3bc3 s VAL 199 N -2.20 -0.01 -0.52 0.71 0.11 -0.48 -0.71 120.40 117.30 3bc3 s VAL 199 Ca 0.36 0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 59.25 3bc3 s VAL 199 Cb -0.07 -0.07 0.06 0.00 -1.53 0.00 0.00 36.38 34.78 3bc3 s VAL 199 CO 0.26 0.01 0.66 -0.54 -3.33 0.00 0.00 175.10 172.16 3bc3 s LYS 200 N 0.16 3.12 -0.10 1.54 1.02 -1.26 -1.67 119.74 122.55 3bc3 s LYS 200 Ca -0.01 -0.92 -0.23 0.00 0.02 0.00 0.00 55.97 54.83 3bc3 s LYS 200 Cb -0.02 -4.12 -0.03 0.00 -0.52 0.00 0.00 37.83 33.14 3bc3 s LYS 200 CO -0.00 -1.29 0.68 -1.64 -0.92 0.00 0.00 175.35 172.17 3bc3 s MET 201 N 2.73 4.38 -0.23 1.68 -1.94 -0.66 0.95 119.30 126.21 3bc3 s MET 201 Ca 0.15 0.80 -0.42 0.00 -1.71 0.00 0.00 55.69 54.52 3bc3 s MET 201 Cb -0.20 -3.48 -0.18 0.00 2.01 0.00 0.00 34.83 32.99 3bc3 s MET 201 CO 0.11 -0.00 1.52 0.00 -0.01 0.00 0.00 175.02 176.64 3bc3 n ALA 202 N 4.08 -1.22 -2.71 3.03 0.00 -0.75 0.12 120.51 123.06 3bc3 n ALA 202 Ca -0.01 0.48 -0.30 0.00 0.00 0.00 0.00 53.44 53.60 3bc3 n ALA 202 Cb 0.51 -2.04 -0.07 0.00 0.00 0.00 0.00 19.45 17.85 3bc3 n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3bc3 s LYS 203 N 2.28 2.64 -1.50 0.00 2.20 -1.05 -4.54 119.74 119.78 3bc3 s LYS 203 Ca 0.97 -0.82 -0.12 0.00 -0.36 0.00 0.00 55.97 55.64 3bc3 s LYS 203 Cb -1.21 -2.58 0.07 0.00 -1.51 0.00 0.00 37.83 32.60 3bc3 s LYS 203 CO 0.66 0.54 0.99 -0.25 -0.36 0.00 0.00 175.35 176.93 3bc3 n ASP 204 N 0.45 -4.77 -2.98 1.43 8.00 -1.26 -4.54 116.55 112.87 3bc3 n ASP 204 Ca -0.10 -0.75 -0.25 0.00 0.71 0.00 0.00 54.79 54.40 3bc3 n ASP 204 Cb 0.52 -4.05 -0.04 0.00 -0.02 0.00 0.00 41.12 37.54 3bc3 n ASP 204 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3bc3 n ARG 205 N -4.70 2.72 -3.61 -1.24 5.12 -1.26 -4.91 116.66 108.78 3bc3 n ARG 205 Ca 0.01 -4.51 -0.21 0.00 -1.93 0.00 0.00 57.85 51.22 3bc3 n ARG 205 Cb 0.54 -2.11 0.05 0.00 -1.16 0.00 0.00 32.46 29.77 3bc3 n ARG 205 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3bc3 n ARG 206 N -0.14 -4.71 -3.98 5.56 1.74 -1.26 -2.64 116.66 111.23 3bc3 n ARG 206 Ca 0.30 0.67 -0.30 0.00 -0.77 0.00 0.00 57.85 57.75 3bc3 n ARG 206 Cb 0.46 -5.27 -0.02 0.00 -1.02 0.00 0.00 32.46 26.61 3bc3 n ARG 206 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3bc3 n ASN 207 N -3.05 -1.37 -4.63 0.55 5.15 -1.26 -4.78 115.26 105.86 3bc3 n ASN 207 Ca -0.26 -1.09 -0.52 0.00 -0.60 0.00 0.00 54.58 52.10 3bc3 n ASN 207 Cb 0.67 -2.70 -0.06 0.00 -0.53 0.00 0.00 39.78 37.16 3bc3 n ASN 207 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3bc3 n HIS 208 N -4.47 1.77 -1.46 1.20 -0.00 -1.08 -0.42 115.22 110.76 3bc3 n HIS 208 Ca -0.26 0.53 -0.16 0.00 -0.00 0.00 0.00 57.72 57.84 3bc3 n HIS 208 Cb 0.66 -2.40 -0.07 0.00 -0.00 0.00 0.00 29.99 28.18 3bc3 n HIS 208 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3bc3 n GLY 210 N -0.55 -0.45 0.31 0.00 0.00 0.44 -1.15 105.19 103.78 3bc3 n GLY 210 Ca -0.16 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 45.99 3bc3 n GLY 210 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3bc3 h ILE 211 N -0.29 0.62 -0.35 -0.61 2.10 -1.66 -1.79 117.51 115.53 3bc3 h ILE 211 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 3bc3 h ILE 211 Cb 1.35 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 3bc3 h ILE 211 CO 0.55 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.62 3bc3 n ALA 212 N -2.39 2.39 0.19 0.18 0.00 -1.26 -4.46 120.51 115.15 3bc3 n ALA 212 Ca -0.01 -0.98 0.11 0.00 0.00 0.00 0.00 53.44 52.57 3bc3 n ALA 212 Cb 0.20 -0.74 0.12 0.00 0.00 0.00 0.00 19.45 19.03 3bc3 n ALA 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3bc3 h SER 213 N 3.79 0.00 -0.96 0.00 0.02 -1.62 -3.33 113.55 111.45 3bc3 h SER 213 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 3bc3 h SER 213 Cb 0.88 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.04 3bc3 h SER 213 CO 0.00 0.04 -1.12 0.00 -1.14 0.00 0.00 176.83 174.61 3bc3 n ALA 214 N -2.13 3.11 -2.55 3.77 0.00 -1.26 -4.86 120.51 116.60 3bc3 n ALA 214 Ca 0.03 -2.97 -0.35 0.00 0.00 0.00 0.00 53.44 50.15 3bc3 n ALA 214 Cb 0.55 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 3bc3 n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bc3 s ALA 215 N -2.76 3.71 0.19 0.00 0.00 -1.26 -3.64 121.76 118.00 3bc3 s ALA 215 Ca 0.27 -0.34 -0.23 0.00 0.00 0.00 0.00 51.96 51.66 3bc3 s ALA 215 Cb 0.45 -2.31 0.06 0.00 0.00 0.00 0.00 23.12 21.32 3bc3 s ALA 215 CO 0.02 0.55 0.95 -1.54 0.00 0.00 0.00 175.76 175.73 3bc3 s SER 216 N -1.67 -0.13 0.11 0.00 1.04 0.13 -1.85 113.70 111.33 3bc3 s SER 216 Ca 0.32 -0.53 -0.17 0.00 0.48 0.00 0.00 55.95 56.05 3bc3 s SER 216 Cb -0.14 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.55 3bc3 s SER 216 CO 0.17 -1.01 0.42 -0.72 0.98 0.00 0.00 173.24 173.08 3bc3 s TYR 217 N -3.02 -0.24 0.16 5.02 1.13 -0.87 -0.74 117.35 118.78 3bc3 s TYR 217 Ca 0.14 -0.01 -0.15 0.00 -1.41 0.00 0.00 57.07 55.65 3bc3 s TYR 217 Cb -0.02 0.27 -0.07 0.00 -1.10 0.00 0.00 41.96 41.04 3bc3 s TYR 217 CO 0.04 -0.68 0.57 -1.25 -2.51 0.00 0.00 175.55 171.71 3bc3 s PRO 218 N -3.51 4.00 -0.22 -3.49 0.04 -1.26 -0.24 135.00 130.32 3bc3 s PRO 218 Ca 0.01 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.41 3bc3 s PRO 218 Cb 0.01 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 3bc3 s PRO 218 CO -0.10 0.47 0.40 0.95 0.04 0.00 0.00 177.00 178.75 3bc3 s THR 219 N -1.48 5.19 -1.65 1.26 -4.23 -0.63 -4.90 115.64 109.19 3bc3 s THR 219 Ca 0.39 0.68 0.13 0.00 -1.18 0.00 0.00 61.69 61.71 3bc3 s THR 219 Cb -0.15 -3.72 0.10 0.00 1.34 0.00 0.00 72.50 70.07 3bc3 s THR 219 CO 0.19 0.23 0.92 1.33 -0.54 0.00 0.00 174.62 176.75