#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3is4 h GLN 2 N 0.00 0.46 0.20 -1.46 5.75 -1.99 -2.49 115.11 115.58 3is4 h GLN 2 Ca 0.00 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3is4 h GLN 2 Cb 0.00 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 3is4 h GLN 2 CO 0.00 0.45 -0.14 1.25 -2.65 0.00 0.00 178.83 177.73 3is4 h LEU 3 N 0.45 -0.37 -0.92 -2.39 6.46 -2.00 0.84 115.31 117.39 3is4 h LEU 3 Ca 0.10 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 3is4 h LEU 3 Cb 0.22 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.22 3is4 h LEU 3 CO 0.00 -0.23 0.61 0.00 -0.62 0.00 0.00 178.44 178.20 3is4 h ALA 4 N 0.44 1.17 -0.59 1.25 0.00 -2.01 -2.63 119.26 116.89 3is4 h ALA 4 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3is4 h ALA 4 Cb 0.30 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3is4 h ALA 4 CO -0.00 0.54 0.24 1.25 0.00 0.00 0.00 179.25 181.28 3is4 h HIS 5 N 1.23 0.90 -0.95 0.00 -0.00 -1.01 -2.45 115.15 112.86 3is4 h HIS 5 Ca 0.34 -0.07 0.21 0.00 -0.00 0.00 0.00 60.37 60.86 3is4 h HIS 5 Cb -0.11 -0.27 -0.08 0.00 -0.00 0.00 0.00 27.41 26.95 3is4 h HIS 5 CO -0.01 0.72 0.62 -0.91 -0.00 0.00 0.00 177.93 178.35 3is4 h ASN 6 N 0.82 0.51 -0.09 3.26 2.35 -0.47 -2.25 115.58 119.72 3is4 h ASN 6 Ca 0.20 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 3is4 h ASN 6 Cb 0.20 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3is4 h ASN 6 CO -0.02 0.19 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.83 3is4 h LEU 7 N 0.50 0.31 -0.55 1.61 3.38 -1.29 -2.73 115.31 116.54 3is4 h LEU 7 Ca 0.52 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3is4 h LEU 7 Cb 1.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3is4 h LEU 7 CO -0.24 0.41 -0.11 0.35 0.09 0.00 0.00 178.44 178.94 3is4 n THR 8 N -4.31 0.00 -3.13 0.22 -2.24 -0.85 -4.95 114.28 99.03 3is4 n THR 8 Ca 0.00 -0.14 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 3is4 n THR 8 Cb 0.23 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.64 3is4 n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3is4 s LEU 9 N -2.27 4.04 -0.03 3.22 1.43 -1.03 -5.09 118.68 118.94 3is4 s LEU 9 Ca 0.32 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 3is4 s LEU 9 Cb 0.20 -4.02 0.02 0.00 0.03 0.00 0.00 46.19 42.42 3is4 s LEU 9 CO 0.43 -0.22 -0.02 -0.55 0.23 0.00 0.00 176.35 176.22 3is4 s SER 10 N -2.43 0.61 0.00 2.29 0.15 -1.26 -5.02 113.70 108.04 3is4 s SER 10 Ca 0.53 -0.06 0.16 0.00 0.70 0.00 0.00 55.95 57.28 3is4 s SER 10 Cb -0.10 -0.30 0.76 0.00 -1.71 0.00 0.00 66.02 64.66 3is4 s SER 10 CO 0.20 -0.08 1.50 2.30 1.20 0.00 0.00 173.24 178.36 3is4 n ILE 11 N 4.09 0.72 1.07 6.45 -5.35 -1.26 -2.08 119.36 123.00 3is4 n ILE 11 Ca -0.26 0.18 0.12 0.00 -0.27 0.00 0.00 62.75 62.52 3is4 n ILE 11 Cb 0.51 -0.91 0.24 0.00 -1.74 0.00 0.00 39.64 37.74 3is4 n ILE 11 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3is4 n PHE 12 N -1.40 0.07 -2.53 4.28 3.72 -1.26 -4.90 117.46 115.44 3is4 n PHE 12 Ca 0.06 -0.03 -0.33 0.00 -0.05 0.00 0.00 57.45 57.09 3is4 n PHE 12 Cb 0.16 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 3is4 n PHE 12 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3is4 s ASP 13 N -1.92 6.49 0.48 4.37 1.01 -0.88 -5.04 116.67 121.18 3is4 s ASP 13 Ca 0.32 1.78 -0.23 0.00 0.71 0.00 0.00 52.55 55.13 3is4 s ASP 13 Cb 0.20 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.53 3is4 s ASP 13 CO 0.31 -0.68 1.23 -2.84 0.21 0.00 0.00 175.17 173.40 3is4 s PRO 14 N -3.49 3.61 0.84 8.23 0.02 -1.26 -5.02 135.00 137.94 3is4 s PRO 14 Ca 0.64 1.93 -0.11 0.00 0.02 0.00 0.00 61.00 63.48 3is4 s PRO 14 Cb -0.13 -2.40 0.10 0.00 0.02 0.00 0.00 34.50 32.08 3is4 s PRO 14 CO 0.22 -0.72 1.09 0.14 -0.33 0.00 0.00 177.00 177.41 3is4 s VAL 15 N -1.45 2.94 0.79 3.83 -7.23 -1.26 -5.00 120.40 113.02 3is4 s VAL 15 Ca 0.65 0.30 -0.14 0.00 -1.81 0.00 0.00 61.98 60.98 3is4 s VAL 15 Cb -0.33 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 33.89 3is4 s VAL 15 CO 0.40 -0.40 0.85 0.00 -0.31 0.00 0.00 175.10 175.64 3is4 n ALA 16 N -3.75 -0.88 1.38 1.32 0.00 -1.26 -4.91 120.51 112.42 3is4 n ALA 16 Ca 0.08 -0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.23 3is4 n ALA 16 Cb 0.54 -2.05 0.08 0.00 0.00 0.00 0.00 19.45 18.03 3is4 n ALA 16 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3is4 n ASN 17 N -1.87 1.04 -3.70 0.00 2.04 -1.26 -4.82 115.26 106.69 3is4 n ASN 17 Ca 0.11 -2.01 -0.13 0.00 -0.44 0.00 0.00 54.58 52.12 3is4 n ASN 17 Cb 0.51 -0.14 -0.07 0.00 -2.53 0.00 0.00 39.78 37.55 3is4 n ASN 17 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 3is4 s TYR 18 N -1.74 -0.23 -0.21 -2.53 -0.85 -1.26 -5.01 117.35 105.52 3is4 s TYR 18 Ca 0.12 0.22 -0.06 0.00 -0.52 0.00 0.00 57.07 56.83 3is4 s TYR 18 Cb 0.07 0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.55 3is4 s TYR 18 CO 0.08 -0.52 0.03 0.50 -1.52 0.00 0.00 175.55 174.13 3is4 s ARG 19 N -2.16 3.71 -0.10 -3.49 3.52 -1.26 -4.99 118.95 114.18 3is4 s ARG 19 Ca -0.07 -0.47 -0.20 0.00 -0.13 0.00 0.00 55.73 54.86 3is4 s ARG 19 Cb -0.02 -3.16 -0.28 0.00 -1.56 0.00 0.00 34.95 29.93 3is4 s ARG 19 CO -0.00 0.03 0.67 0.00 -0.81 0.00 0.00 175.30 175.19 3is4 h ALA 20 N 7.45 0.07 -2.75 6.12 0.00 -1.95 -3.44 119.26 124.77 3is4 h ALA 20 Ca -0.36 -0.89 -0.53 0.00 0.00 0.00 0.00 54.91 53.13 3is4 h ALA 20 Cb 1.18 0.31 0.12 0.00 0.00 0.00 0.00 17.79 19.40 3is4 h ALA 20 CO 0.62 0.56 0.44 0.00 0.00 0.00 0.00 179.25 180.87 3is4 s ALA 21 N -2.42 2.43 0.01 0.00 0.00 -1.26 -0.72 121.76 119.79 3is4 s ALA 21 Ca -0.18 0.92 0.05 0.00 0.00 0.00 0.00 51.96 52.75 3is4 s ALA 21 Cb 0.02 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3is4 s ALA 21 CO 0.77 -1.35 -0.15 1.03 0.00 0.00 0.00 175.76 176.05 3is4 s ARG 22 N -3.58 2.30 -0.20 0.00 1.81 -0.10 -4.91 118.95 114.27 3is4 s ARG 22 Ca 0.75 -0.85 -0.05 0.00 -1.72 0.00 0.00 55.73 53.86 3is4 s ARG 22 Cb -0.29 -2.30 -0.03 0.00 -0.45 0.00 0.00 34.95 31.88 3is4 s ARG 22 CO 0.37 0.58 0.01 0.42 -0.68 0.00 0.00 175.30 176.00 3is4 s ILE 23 N -0.88 4.07 -0.16 1.52 1.01 -1.26 -1.25 121.20 124.25 3is4 s ILE 23 Ca 0.14 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 3is4 s ILE 23 Cb -0.11 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3is4 s ILE 23 CO 0.04 0.43 0.05 -0.63 0.00 0.00 0.00 174.94 174.83 3is4 s ILE 24 N 0.96 4.72 -0.07 2.92 1.01 -0.63 -1.04 121.20 129.06 3is4 s ILE 24 Ca 0.02 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.65 3is4 s ILE 24 Cb -0.14 -3.10 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 3is4 s ILE 24 CO 0.02 0.49 -0.23 0.00 0.00 0.00 0.00 174.94 175.22 3is4 s THR 26 N 0.10 4.90 0.10 0.00 2.01 -0.70 0.58 115.64 122.62 3is4 s THR 26 Ca -0.10 1.89 -0.20 0.00 0.31 0.00 0.00 61.69 63.59 3is4 s THR 26 Cb -0.15 -4.24 -0.07 0.00 0.01 0.00 0.00 72.50 68.04 3is4 s THR 26 CO 0.06 0.15 0.60 -0.63 -0.69 0.00 0.00 174.62 174.10 3is4 s ILE 27 N 1.20 4.70 0.00 1.82 -1.09 -0.17 -2.74 121.20 124.92 3is4 s ILE 27 Ca 0.47 1.25 0.00 0.00 -2.23 0.00 0.00 60.65 60.14 3is4 s ILE 27 Cb -0.20 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 3is4 s ILE 27 CO 0.23 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 175.06 3is4 n GLY 28 N 1.59 3.04 0.33 6.18 0.00 -1.23 -4.68 105.19 110.42 3is4 n GLY 28 Ca -0.09 -1.02 0.11 0.00 0.00 0.00 0.00 46.02 45.02 3is4 n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3is4 h PRO 29 N 0.00 0.29 0.00 1.61 0.11 -1.87 0.14 132.00 132.29 3is4 h PRO 29 Ca 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 3is4 h PRO 29 Cb 0.00 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 3is4 h PRO 29 CO 0.00 0.19 -0.16 0.77 -0.21 0.00 0.00 178.00 178.60 3is4 h SER 30 N 0.30 0.00 0.00 -2.05 0.02 -1.74 -3.37 113.55 106.71 3is4 h SER 30 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3is4 h SER 30 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3is4 h SER 30 CO -0.04 0.16 0.00 0.35 -1.14 0.00 0.00 176.83 176.15 3is4 n THR 31 N -4.18 0.35 0.20 -2.27 -2.24 0.31 -4.82 114.28 101.64 3is4 n THR 31 Ca -0.02 -0.43 0.10 0.00 -2.27 0.00 0.00 64.05 61.43 3is4 n THR 31 Cb 0.23 0.97 0.19 0.00 -2.10 0.00 0.00 70.33 69.63 3is4 n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3is4 h GLN 32 N 0.00 0.00 -7.18 -0.78 4.15 -1.21 -3.32 115.11 106.77 3is4 h GLN 32 Ca 0.00 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.92 3is4 h GLN 32 Cb 0.60 0.00 0.08 0.00 0.21 0.00 0.00 27.48 28.36 3is4 h GLN 32 CO 0.00 0.15 0.38 -1.54 -1.93 0.00 0.00 178.83 175.89 3is4 s SER 33 N -6.23 5.53 0.26 -0.69 1.04 -1.26 -4.79 113.70 107.55 3is4 s SER 33 Ca 0.05 1.94 -0.03 0.00 0.48 0.00 0.00 55.95 58.39 3is4 s SER 33 Cb 0.06 -2.55 0.38 0.00 0.10 0.00 0.00 66.02 64.02 3is4 s SER 33 CO 0.68 -1.34 1.88 -0.37 0.98 0.00 0.00 173.24 175.06 3is4 h VAL 34 N 0.41 1.08 -0.56 5.02 -1.51 -1.89 -0.54 116.25 118.27 3is4 h VAL 34 Ca -0.47 -0.39 -0.09 0.00 -1.23 0.00 0.00 66.70 64.52 3is4 h VAL 34 Cb 1.24 -0.15 -0.02 0.00 -2.13 0.00 0.00 31.29 30.22 3is4 h VAL 34 CO 0.56 0.21 0.01 -0.33 -1.23 0.00 0.00 177.57 176.79 3is4 h GLU 35 N 1.14 0.99 -0.26 5.19 4.39 -1.95 -0.20 114.58 123.89 3is4 h GLU 35 Ca 0.42 -0.31 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 3is4 h GLU 35 Cb 0.16 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3is4 h GLU 35 CO -0.17 0.98 -0.36 0.00 -1.16 0.00 0.00 179.01 178.30 3is4 h ALA 36 N 0.97 0.89 -0.49 3.43 0.00 -1.74 -1.47 119.26 120.85 3is4 h ALA 36 Ca 0.16 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3is4 h ALA 36 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3is4 h ALA 36 CO 0.03 0.63 -0.13 -0.07 0.00 0.00 0.00 179.25 179.71 3is4 h LEU 37 N 0.48 0.92 -0.53 0.00 3.38 -0.92 -1.07 115.31 117.58 3is4 h LEU 37 Ca 0.05 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3is4 h LEU 37 Cb 0.85 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3is4 h LEU 37 CO 0.07 1.05 0.27 0.11 0.09 0.00 0.00 178.44 180.03 3is4 h LYS 38 N 0.82 0.75 -0.86 1.13 1.57 -0.82 -0.60 116.57 118.56 3is4 h LYS 38 Ca 0.13 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3is4 h LYS 38 Cb 0.67 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 3is4 h LYS 38 CO 0.05 0.60 0.55 0.78 -0.57 0.00 0.00 179.45 180.86 3is4 h GLY 39 N 0.70 1.27 0.98 3.86 0.00 -1.07 -1.09 103.07 107.71 3is4 h GLY 39 Ca 0.18 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3is4 h GLY 39 CO -0.03 0.33 0.15 1.41 0.00 0.00 0.00 176.54 178.41 3is4 h LEU 40 N 1.05 0.30 0.21 3.11 4.07 -0.79 -0.88 115.31 122.37 3is4 h LEU 40 Ca 0.35 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.26 3is4 h LEU 40 Cb 0.05 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 3is4 h LEU 40 CO -0.13 0.26 -0.13 0.40 -1.08 0.00 0.00 178.44 177.76 3is4 h ILE 41 N 0.32 0.73 -0.04 1.22 2.04 -0.80 -0.64 117.51 120.33 3is4 h ILE 41 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 3is4 h ILE 41 Cb 0.01 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3is4 h ILE 41 CO -0.02 0.00 -0.01 1.56 0.00 0.00 0.00 178.15 179.68 3is4 h GLN 42 N -0.33 0.06 0.00 2.37 4.20 -1.22 -1.92 115.11 118.27 3is4 h GLN 42 Ca -0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3is4 h GLN 42 Cb 0.27 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3is4 h GLN 42 CO 0.02 0.08 -0.08 0.77 -0.67 0.00 0.00 178.83 178.95 3is4 h SER 43 N 0.06 0.00 0.00 1.46 0.02 -0.62 -3.47 113.55 111.01 3is4 h SER 43 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3is4 h SER 43 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3is4 h SER 43 CO 0.00 0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.38 3is4 n GLY 44 N 0.60 0.02 3.71 -3.77 0.00 -0.59 -3.54 105.19 101.62 3is4 n GLY 44 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3is4 n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3is4 s MET 45 N 0.00 4.38 -0.04 1.61 -2.45 -0.35 -4.24 119.30 118.21 3is4 s MET 45 Ca 0.00 1.89 0.11 0.00 -1.25 0.00 0.00 55.69 56.44 3is4 s MET 45 Cb 0.00 -3.34 -0.17 0.00 1.25 0.00 0.00 34.83 32.56 3is4 s MET 45 CO 0.00 -0.36 0.21 0.43 1.05 0.00 0.00 175.02 176.35 3is4 n SER 46 N 4.12 2.29 -3.83 1.11 7.64 -0.21 -4.58 113.62 120.16 3is4 n SER 46 Ca 0.10 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.81 3is4 n SER 46 Cb 0.45 1.37 -0.16 0.00 -1.01 0.00 0.00 64.21 64.85 3is4 n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3is4 s VAL 47 N -2.70 0.24 -0.32 0.44 1.01 -1.11 -2.16 120.40 115.80 3is4 s VAL 47 Ca -0.05 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 3is4 s VAL 47 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 3is4 s VAL 47 CO 0.48 0.16 0.35 0.00 0.00 0.00 0.00 175.10 176.09 3is4 s ALA 48 N 1.02 3.51 -0.20 5.51 0.00 0.33 -0.43 121.76 131.50 3is4 s ALA 48 Ca -0.10 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.60 3is4 s ALA 48 Cb -0.14 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 3is4 s ALA 48 CO -0.01 -0.95 0.31 0.50 0.00 0.00 0.00 175.76 175.61 3is4 s ARG 49 N 2.01 4.17 -0.29 0.00 3.52 0.20 -0.73 118.95 127.82 3is4 s ARG 49 Ca 0.12 0.06 -0.11 0.00 -0.13 0.00 0.00 55.73 55.67 3is4 s ARG 49 Cb -0.16 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 3is4 s ARG 49 CO 0.11 0.06 0.20 -1.64 -0.81 0.00 0.00 175.30 173.22 3is4 s MET 50 N 1.02 3.85 -0.64 5.12 -1.94 0.49 -1.00 119.30 126.20 3is4 s MET 50 Ca 0.16 -0.39 -0.23 0.00 -1.71 0.00 0.00 55.69 53.52 3is4 s MET 50 Cb -0.14 -3.69 0.06 0.00 2.01 0.00 0.00 34.83 33.07 3is4 s MET 50 CO 0.06 -0.24 0.97 1.21 -0.01 0.00 0.00 175.02 177.01 3is4 s ASN 51 N 1.75 6.20 0.00 3.03 2.47 -1.26 -1.07 114.94 126.06 3is4 s ASN 51 Ca 0.07 -0.86 0.00 0.00 0.42 0.00 0.00 52.86 52.49 3is4 s ASN 51 Cb -0.16 -2.43 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 3is4 s ASN 51 CO 0.11 -1.41 0.82 0.49 -3.72 0.00 0.00 177.10 173.38 3is4 n PHE 52 N 7.71 0.00 0.21 0.43 3.01 -0.29 -2.47 117.46 126.05 3is4 n PHE 52 Ca -0.03 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.53 3is4 n PHE 52 Cb 0.46 -0.02 0.31 0.00 -0.01 0.00 0.00 39.48 40.22 3is4 n PHE 52 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3is4 h SER 53 N 0.02 0.00 -3.81 4.37 0.02 -1.85 -3.36 113.55 108.94 3is4 h SER 53 Ca 0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.53 3is4 h SER 53 Cb 0.09 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.46 3is4 h SER 53 CO 0.00 0.22 -0.75 -1.00 -1.14 0.00 0.00 176.83 174.17 3is4 s HIS 54 N -3.38 1.49 0.00 3.45 3.76 -1.03 -5.02 115.29 114.55 3is4 s HIS 54 Ca 0.03 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 3is4 s HIS 54 Cb 0.08 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 33.02 3is4 s HIS 54 CO 0.66 0.20 0.00 0.41 -0.85 0.00 0.00 174.74 175.16 3is4 n GLY 55 N 0.20 -2.11 3.96 -2.22 0.00 -1.26 -4.87 105.19 98.88 3is4 n GLY 55 Ca -0.13 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 3is4 n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3is4 s SER 56 N -3.45 5.39 0.29 1.61 1.04 -1.26 -4.93 113.70 112.39 3is4 s SER 56 Ca 0.00 0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.63 3is4 s SER 56 Cb 0.00 -1.16 0.53 0.00 0.10 0.00 0.00 66.02 65.50 3is4 s SER 56 CO 0.00 -1.08 1.87 0.45 0.98 0.00 0.00 173.24 175.46 3is4 h HIS 57 N 0.05 1.12 -0.77 5.02 -0.00 -1.99 -1.21 115.15 117.37 3is4 h HIS 57 Ca -0.44 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 59.92 3is4 h HIS 57 Cb 1.28 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 28.30 3is4 h HIS 57 CO 0.40 0.51 0.30 1.49 -0.00 0.00 0.00 177.93 180.63 3is4 h GLU 58 N 1.03 1.15 -0.31 2.45 4.81 -1.98 0.18 114.58 121.91 3is4 h GLU 58 Ca 0.45 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3is4 h GLU 58 Cb 0.36 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3is4 h GLU 58 CO -0.21 0.94 0.16 -0.92 -0.73 0.00 0.00 179.01 178.25 3is4 h TYR 59 N 1.12 0.43 -0.00 0.92 3.20 -1.67 -2.25 116.97 118.73 3is4 h TYR 59 Ca 0.26 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.98 3is4 h TYR 59 Cb 0.22 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3is4 h TYR 59 CO 0.02 0.36 -0.62 0.45 -1.64 0.00 0.00 178.16 176.73 3is4 h HIS 60 N 0.38 0.01 -0.64 -3.82 3.86 -1.05 -2.61 115.15 111.27 3is4 h HIS 60 Ca 0.11 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.37 3is4 h HIS 60 Cb 0.08 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.49 3is4 h HIS 60 CO -0.03 0.63 0.36 0.37 0.86 0.00 0.00 177.93 180.12 3is4 h GLN 61 N 0.00 0.65 -0.73 2.45 5.75 -0.50 -0.16 115.11 122.57 3is4 h GLN 61 Ca -0.01 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 3is4 h GLN 61 Cb 1.10 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.48 3is4 h GLN 61 CO 0.08 0.43 0.31 1.15 -2.65 0.00 0.00 178.83 178.15 3is4 h THR 62 N 0.67 1.25 -0.08 2.39 2.02 -1.10 0.29 112.91 118.33 3is4 h THR 62 Ca 0.29 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.73 3is4 h THR 62 Cb 0.17 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3is4 h THR 62 CO -0.17 0.31 -0.00 0.74 0.37 0.00 0.00 175.52 176.76 3is4 h THR 63 N 1.05 0.94 -0.25 3.16 2.02 -1.10 0.07 112.91 118.79 3is4 h THR 63 Ca 0.25 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.46 3is4 h THR 63 Cb 0.18 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3is4 h THR 63 CO -0.02 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.27 3is4 h ILE 64 N 0.02 0.82 -0.47 3.11 2.04 -0.68 0.22 117.51 122.58 3is4 h ILE 64 Ca 0.04 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 3is4 h ILE 64 Cb 0.05 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3is4 h ILE 64 CO -0.07 0.01 0.11 0.78 0.00 0.00 0.00 178.15 178.98 3is4 h ASN 65 N 0.08 0.73 -0.09 1.72 2.35 -0.83 -2.38 115.58 117.15 3is4 h ASN 65 Ca 0.12 -0.24 -0.15 0.00 -0.55 0.00 0.00 56.30 55.48 3is4 h ASN 65 Cb 0.15 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3is4 h ASN 65 CO -0.20 0.78 -0.46 0.78 -1.65 0.00 0.00 177.43 176.68 3is4 h ASN 66 N 0.64 0.70 0.20 5.81 2.35 -0.73 -1.62 115.58 122.93 3is4 h ASN 66 Ca 0.15 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3is4 h ASN 66 Cb 0.34 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3is4 h ASN 66 CO 0.00 1.05 -0.11 0.58 -1.65 0.00 0.00 177.43 177.31 3is4 h VAL 67 N 0.52 0.78 -0.99 2.81 2.07 -0.90 0.05 116.25 120.59 3is4 h VAL 67 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 3is4 h VAL 67 Cb 1.00 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 3is4 h VAL 67 CO 0.09 0.00 0.64 0.03 0.02 0.00 0.00 177.57 178.35 3is4 h ARG 68 N -0.29 1.15 -0.24 1.57 3.08 -1.35 0.63 114.38 118.93 3is4 h ARG 68 Ca -0.02 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 3is4 h ARG 68 Cb 0.23 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3is4 h ARG 68 CO 0.04 0.76 -0.17 0.37 -1.07 0.00 0.00 179.97 179.89 3is4 h GLN 69 N 1.18 0.55 -0.42 0.04 5.75 -1.12 -1.10 115.11 119.98 3is4 h GLN 69 Ca 0.42 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3is4 h GLN 69 Cb 0.12 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 3is4 h GLN 69 CO -0.16 0.84 0.22 0.00 -2.65 0.00 0.00 178.83 177.08 3is4 h ALA 70 N 0.70 0.54 -0.62 3.38 0.00 -0.65 -1.82 119.26 120.79 3is4 h ALA 70 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3is4 h ALA 70 Cb 0.71 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3is4 h ALA 70 CO 0.05 0.08 0.34 0.00 0.00 0.00 0.00 179.25 179.72 3is4 h ALA 71 N 1.07 0.80 -0.68 0.00 0.00 -0.87 -2.48 119.26 117.09 3is4 h ALA 71 Ca 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3is4 h ALA 71 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3is4 h ALA 71 CO -0.02 0.31 0.22 0.00 0.00 0.00 0.00 179.25 179.76 3is4 h ALA 72 N 1.16 1.09 0.00 0.00 0.00 -1.05 -0.30 119.26 120.16 3is4 h ALA 72 Ca 0.22 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3is4 h ALA 72 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3is4 h ALA 72 CO -0.04 0.62 -0.35 0.93 0.00 0.00 0.00 179.25 180.41 3is4 h GLU 73 N 1.01 0.00 -0.02 0.00 5.08 -1.14 -2.78 114.58 116.73 3is4 h GLU 73 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3is4 h GLU 73 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3is4 h GLU 73 CO -0.01 0.35 -0.13 1.28 -1.00 0.00 0.00 179.01 179.51 3is4 n LEU 74 N -3.83 2.24 -2.80 1.33 4.77 -0.95 -4.98 117.00 112.77 3is4 n LEU 74 Ca -0.01 -0.75 -0.19 0.00 -0.03 0.00 0.00 56.01 55.03 3is4 n LEU 74 Cb 0.43 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.56 3is4 n LEU 74 CO 0.37 0.38 0.14 0.61 -1.33 0.00 0.00 177.39 177.57 3is4 n GLY 75 N 1.32 -0.24 3.41 -0.72 0.00 -0.22 -5.02 105.19 103.71 3is4 n GLY 75 Ca 0.14 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 3is4 n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3is4 s VAL 76 N -3.20 1.34 -0.20 1.61 -7.23 -0.61 -5.04 120.40 107.08 3is4 s VAL 76 Ca 0.40 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 3is4 s VAL 76 Cb -0.18 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 3is4 s VAL 76 CO 0.50 -0.23 -0.07 0.20 -0.31 0.00 0.00 175.10 175.19 3is4 s ASN 77 N -3.41 4.22 -0.08 4.85 0.01 -1.26 -4.32 114.94 114.94 3is4 s ASN 77 Ca 0.31 -0.37 0.05 0.00 -0.71 0.00 0.00 52.86 52.13 3is4 s ASN 77 Cb 0.06 -1.70 -0.01 0.00 0.41 0.00 0.00 41.25 40.01 3is4 s ASN 77 CO 0.12 0.03 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.88 3is4 s ILE 78 N 1.16 2.16 0.40 0.60 -1.09 -1.26 -4.77 121.20 118.40 3is4 s ILE 78 Ca 0.02 -1.01 -0.24 0.00 -2.23 0.00 0.00 60.65 57.19 3is4 s ILE 78 Cb -0.14 -1.81 -0.09 0.00 -1.58 0.00 0.00 42.46 38.84 3is4 s ILE 78 CO -0.02 0.56 1.06 0.00 -1.23 0.00 0.00 174.94 175.31 3is4 s ALA 79 N 0.08 3.08 -0.19 9.38 0.00 -0.92 -4.91 121.76 128.27 3is4 s ALA 79 Ca -0.11 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 52.56 3is4 s ALA 79 Cb -0.16 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3is4 s ALA 79 CO 0.06 -0.24 -0.15 0.42 0.00 0.00 0.00 175.76 175.85 3is4 s ILE 80 N -1.66 2.45 -0.12 0.00 1.01 -1.26 -0.52 121.20 121.11 3is4 s ILE 80 Ca 0.58 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 3is4 s ILE 80 Cb -0.22 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3is4 s ILE 80 CO 0.28 0.50 -0.10 0.00 0.00 0.00 0.00 174.94 175.62 3is4 s ALA 81 N 1.35 2.77 -0.38 9.38 0.00 0.09 -1.62 121.76 133.34 3is4 s ALA 81 Ca 0.05 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 3is4 s ALA 81 Cb -0.13 -1.29 0.01 0.00 0.00 0.00 0.00 23.12 21.71 3is4 s ALA 81 CO -0.10 0.31 0.26 -1.17 0.00 0.00 0.00 175.76 175.06 3is4 s LEU 82 N 0.10 4.86 -0.38 0.00 0.20 -0.61 -0.38 118.68 122.47 3is4 s LEU 82 Ca -0.04 -0.79 -0.17 0.00 0.69 0.00 0.00 54.13 53.82 3is4 s LEU 82 Cb -0.14 -2.12 0.01 0.00 -0.43 0.00 0.00 46.19 43.50 3is4 s LEU 82 CO 0.04 -0.38 0.44 -0.62 -0.29 0.00 0.00 176.35 175.54 3is4 s ASP 83 N 1.67 6.22 0.46 3.68 -1.08 -0.23 -0.69 116.67 126.69 3is4 s ASP 83 Ca 0.05 -0.40 -0.23 0.00 -0.52 0.00 0.00 52.55 51.44 3is4 s ASP 83 Cb -0.19 -2.23 -0.07 0.00 -1.46 0.00 0.00 42.92 38.97 3is4 s ASP 83 CO 0.09 -0.50 1.17 0.42 0.52 0.00 0.00 175.17 176.88 3is4 s THR 84 N 2.18 3.06 0.18 1.71 -4.23 -0.56 -1.14 115.64 116.84 3is4 s THR 84 Ca 0.14 0.80 -0.13 0.00 -1.18 0.00 0.00 61.69 61.32 3is4 s THR 84 Cb -0.16 -3.41 0.09 0.00 1.34 0.00 0.00 72.50 70.36 3is4 s THR 84 CO 0.13 -0.01 1.83 0.50 -0.54 0.00 0.00 174.62 176.53 3is4 h LYS 85 N 2.04 0.69 0.00 3.99 3.64 -1.92 -3.39 116.57 121.62 3is4 h LYS 85 Ca -0.49 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3is4 h LYS 85 Cb 1.25 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3is4 h LYS 85 CO 0.60 0.46 0.00 0.41 -2.27 0.00 0.00 179.45 178.65 3is4 n GLY 86 N -1.26 -1.86 3.77 5.01 0.00 -1.26 -4.90 105.19 104.69 3is4 n GLY 86 Ca 0.04 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 3is4 n GLY 86 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3is4 s PRO 87 N -2.15 3.59 0.02 1.61 0.02 -1.26 -4.76 135.00 132.06 3is4 s PRO 87 Ca 0.00 1.82 0.01 0.00 0.02 0.00 0.00 61.00 62.85 3is4 s PRO 87 Cb 0.00 -2.31 -0.01 0.00 0.02 0.00 0.00 34.50 32.19 3is4 s PRO 87 CO 0.00 -0.71 -0.03 -1.21 -0.33 0.00 0.00 177.00 174.72 3is4 s GLU 88 N -2.83 0.28 -0.24 5.54 2.02 -1.26 -5.01 118.70 117.19 3is4 s GLU 88 Ca 0.66 -0.44 -0.07 0.00 0.02 0.00 0.00 54.97 55.15 3is4 s GLU 88 Cb -0.30 -0.03 -0.02 0.00 0.10 0.00 0.00 34.13 33.88 3is4 s GLU 88 CO 0.35 -0.01 0.05 0.42 0.02 0.00 0.00 175.26 176.09 3is4 s ILE 89 N -0.95 4.09 0.18 -1.63 1.01 -1.26 -4.90 121.20 117.74 3is4 s ILE 89 Ca -0.09 -0.26 0.08 0.00 0.00 0.00 0.00 60.65 60.38 3is4 s ILE 89 Cb -0.07 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3is4 s ILE 89 CO -0.00 0.35 -0.17 -0.13 0.00 0.00 0.00 174.94 174.99 3is4 s ARG 90 N 1.58 1.28 0.86 2.79 0.52 -1.26 -0.75 118.95 123.98 3is4 s ARG 90 Ca 0.06 -1.46 -0.12 0.00 -0.52 0.00 0.00 55.73 53.69 3is4 s ARG 90 Cb -0.15 -1.24 0.11 0.00 0.52 0.00 0.00 34.95 34.18 3is4 s ARG 90 CO 0.02 0.24 1.13 0.95 0.02 0.00 0.00 175.30 177.66 3is4 s THR 91 N -2.36 2.29 0.00 0.02 -4.23 0.39 -1.34 115.64 110.41 3is4 s THR 91 Ca 0.18 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 3is4 s THR 91 Cb -0.04 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.90 3is4 s THR 91 CO 0.07 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3is4 n GLY 92 N -2.42 0.01 3.94 3.99 0.00 0.77 -3.81 105.19 107.67 3is4 n GLY 92 Ca 0.07 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 3is4 n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3is4 s GLN 93 N 0.57 3.23 0.12 1.61 -0.21 0.87 -1.84 119.66 124.01 3is4 s GLN 93 Ca 0.00 -0.34 0.10 0.00 0.02 0.00 0.00 55.36 55.14 3is4 s GLN 93 Cb 0.00 -2.55 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 3is4 s GLN 93 CO 0.00 -0.17 -0.24 -0.06 -2.12 0.00 0.00 175.29 172.71 3is4 s PHE 94 N -2.53 2.05 -0.15 0.91 0.08 -1.26 -1.58 117.98 115.49 3is4 s PHE 94 Ca 0.46 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.82 3is4 s PHE 94 Cb -0.10 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 3is4 s PHE 94 CO 0.39 0.28 1.63 0.08 -0.10 0.00 0.00 175.22 177.49 3is4 s VAL 95 N -1.16 3.67 0.00 -0.44 1.01 0.65 -0.75 120.40 123.38 3is4 s VAL 95 Ca 0.11 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3is4 s VAL 95 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3is4 s VAL 95 CO 0.05 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.57 3is4 n GLY 96 N 4.43 0.67 2.45 4.51 0.00 -1.26 -4.13 105.19 111.86 3is4 n GLY 96 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 3is4 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3is4 n GLY 97 N -2.62 1.29 3.40 -0.02 0.00 0.07 -4.96 105.19 102.35 3is4 n GLY 97 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 3is4 n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3is4 s ASP 98 N -2.72 -0.46 -0.20 1.61 2.15 -1.26 -3.95 116.67 111.84 3is4 s ASP 98 Ca 0.00 0.35 -0.04 0.00 0.43 0.00 0.00 52.55 53.29 3is4 s ASP 98 Cb 0.00 0.47 0.10 0.00 -0.30 0.00 0.00 42.92 43.19 3is4 s ASP 98 CO 0.00 -0.62 0.33 0.00 -0.17 0.00 0.00 175.17 174.71 3is4 s ALA 99 N -1.75 -0.84 -0.60 3.66 0.00 -0.67 -4.55 121.76 117.01 3is4 s ALA 99 Ca -0.09 0.94 -0.23 0.00 0.00 0.00 0.00 51.96 52.57 3is4 s ALA 99 Cb -0.01 -1.38 0.05 0.00 0.00 0.00 0.00 23.12 21.78 3is4 s ALA 99 CO 0.04 -0.99 0.94 0.08 0.00 0.00 0.00 175.76 175.83 3is4 s VAL 100 N 2.49 4.38 -0.05 0.00 1.01 -1.26 -2.02 120.40 124.95 3is4 s VAL 100 Ca 0.06 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 3is4 s VAL 100 Cb -0.14 -4.60 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 3is4 s VAL 100 CO -0.13 -1.26 0.49 -0.04 0.00 0.00 0.00 175.10 174.16 3is4 s MET 101 N 3.95 4.21 0.02 2.72 -1.94 -1.03 -4.91 119.30 122.33 3is4 s MET 101 Ca 0.26 0.52 0.07 0.00 -1.71 0.00 0.00 55.69 54.83 3is4 s MET 101 Cb -0.15 -3.34 -0.02 0.00 2.01 0.00 0.00 34.83 33.33 3is4 s MET 101 CO 0.15 0.38 -0.21 -1.21 -0.01 0.00 0.00 175.02 174.12 3is4 s GLU 102 N -0.15 1.48 0.19 2.03 2.02 -1.26 -2.01 118.70 121.00 3is4 s GLU 102 Ca 0.27 -0.87 -0.33 0.00 0.02 0.00 0.00 54.97 54.06 3is4 s GLU 102 Cb -0.17 -1.54 -0.13 0.00 0.10 0.00 0.00 34.13 32.40 3is4 s GLU 102 CO 0.13 0.40 1.66 -2.13 0.02 0.00 0.00 175.26 175.34 3is4 n ARG 103 N 2.10 2.50 0.00 1.61 0.63 -1.26 -2.25 116.66 120.00 3is4 n ARG 103 Ca -0.16 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 3is4 n ARG 103 Cb 0.53 -2.71 0.00 0.00 0.45 0.00 0.00 32.46 30.73 3is4 n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3is4 n GLY 104 N 3.67 3.00 3.76 5.14 0.00 -0.34 -5.00 105.19 115.41 3is4 n GLY 104 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3is4 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3is4 s ALA 105 N -2.70 2.59 -0.14 4.61 0.00 -0.95 -4.75 121.76 120.42 3is4 s ALA 105 Ca 0.00 1.01 -0.10 0.00 0.00 0.00 0.00 51.96 52.87 3is4 s ALA 105 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 3is4 s ALA 105 CO 0.00 -1.12 0.19 0.99 0.00 0.00 0.00 175.76 175.82 3is4 s THR 106 N -1.59 5.39 0.22 0.00 2.01 -1.26 -1.26 115.64 119.16 3is4 s THR 106 Ca 0.76 0.33 0.03 0.00 0.31 0.00 0.00 61.69 63.12 3is4 s THR 106 Cb -0.30 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 3is4 s THR 106 CO 0.33 0.52 0.02 0.00 -0.69 0.00 0.00 174.62 174.80 3is4 s TYR 108 N -3.56 2.16 -0.19 0.00 1.51 0.36 -0.43 117.35 117.20 3is4 s TYR 108 Ca 0.29 -1.30 -0.13 0.00 -1.01 0.00 0.00 57.07 54.92 3is4 s TYR 108 Cb 0.06 -1.56 -0.05 0.00 -0.11 0.00 0.00 41.96 40.31 3is4 s TYR 108 CO 0.08 -0.68 0.27 0.14 -1.11 0.00 0.00 175.55 174.25 3is4 s VAL 109 N 1.49 5.31 0.07 0.71 -7.23 -0.84 -1.30 120.40 118.60 3is4 s VAL 109 Ca 0.02 0.47 0.07 0.00 -1.81 0.00 0.00 61.98 60.73 3is4 s VAL 109 Cb -0.14 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.16 3is4 s VAL 109 CO -0.09 0.36 -0.19 0.28 -0.31 0.00 0.00 175.10 175.14 3is4 s THR 110 N 0.76 1.51 -2.21 5.32 -1.32 0.06 -1.06 115.64 118.72 3is4 s THR 110 Ca 0.14 -1.30 0.22 0.00 -1.21 0.00 0.00 61.69 59.54 3is4 s THR 110 Cb -0.13 -1.36 0.47 0.00 -1.51 0.00 0.00 72.50 69.96 3is4 s THR 110 CO 0.04 0.02 1.41 0.35 -2.21 0.00 0.00 174.62 174.23 3is4 n THR 111 N 1.50 0.65 -2.22 5.08 -2.24 -0.40 -1.37 114.28 115.29 3is4 n THR 111 Ca -0.19 -0.83 -0.43 0.00 -2.27 0.00 0.00 64.05 60.34 3is4 n THR 111 Cb 0.54 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 3is4 n THR 111 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3is4 s ASP 112 N -1.31 6.78 0.63 3.42 2.15 -1.26 -4.91 116.67 122.17 3is4 s ASP 112 Ca 0.40 1.92 0.38 0.00 0.43 0.00 0.00 52.55 55.67 3is4 s ASP 112 Cb 0.22 -2.54 2.12 0.00 -0.30 0.00 0.00 42.92 42.43 3is4 s ASP 112 CO 0.31 -0.88 2.30 -0.65 -0.17 0.00 0.00 175.17 176.08 3is4 h PRO 113 N 9.00 0.00 -0.17 4.34 0.11 -1.97 -2.69 132.00 140.61 3is4 h PRO 113 Ca -0.33 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.81 3is4 h PRO 113 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3is4 h PRO 113 CO 0.97 0.01 0.12 0.00 -0.21 0.00 0.00 178.00 178.88 3is4 h ALA 114 N 1.99 2.00 -0.43 -0.75 0.00 -2.00 -2.14 119.26 117.94 3is4 h ALA 114 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3is4 h ALA 114 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3is4 h ALA 114 CO 0.00 -0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.41 3is4 n PHE 115 N -4.51 0.59 -0.08 0.00 3.72 -1.02 -4.28 117.46 111.89 3is4 n PHE 115 Ca 0.00 -0.29 -0.01 0.00 -0.05 0.00 0.00 57.45 57.11 3is4 n PHE 115 Cb 0.16 -0.01 0.26 0.00 -0.94 0.00 0.00 39.48 38.95 3is4 n PHE 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3is4 h ALA 116 N 3.77 1.36 0.00 4.37 0.00 -1.56 -3.19 119.26 124.01 3is4 h ALA 116 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3is4 h ALA 116 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3is4 h ALA 116 CO 0.01 0.47 -1.85 -0.40 0.00 0.00 0.00 179.25 177.48 3is4 n ASP 117 N -4.32 0.21 -2.59 0.00 5.75 -1.26 -0.09 116.55 114.25 3is4 n ASP 117 Ca 0.04 0.09 -0.26 0.00 -0.01 0.00 0.00 54.79 54.64 3is4 n ASP 117 Cb 0.19 1.44 -0.01 0.00 -1.03 0.00 0.00 41.12 41.71 3is4 n ASP 117 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 3is4 n LYS 118 N -2.46 3.28 -2.53 0.11 2.85 -1.20 -4.48 118.16 113.73 3is4 n LYS 118 Ca -0.08 -4.52 -0.33 0.00 -1.05 0.00 0.00 58.31 52.32 3is4 n LYS 118 Cb 0.68 -2.20 -0.04 0.00 -0.65 0.00 0.00 35.03 32.82 3is4 n LYS 118 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3is4 s GLY 119 N -3.50 2.37 0.29 2.58 0.00 -0.62 -4.78 107.32 103.66 3is4 s GLY 119 Ca 0.47 0.47 0.04 0.00 0.00 0.00 0.00 44.72 45.70 3is4 s GLY 119 CO -0.17 0.77 0.21 -0.51 0.00 0.00 0.00 173.10 173.40 3is4 s THR 120 N -2.18 0.08 0.59 0.90 -4.23 0.51 -0.25 115.64 111.06 3is4 s THR 120 Ca 0.64 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.49 3is4 s THR 120 Cb -0.14 -2.50 0.37 0.00 1.34 0.00 0.00 72.50 71.58 3is4 s THR 120 CO 0.22 0.00 2.27 0.07 -0.54 0.00 0.00 174.62 176.64 3is4 h LYS 121 N 2.28 0.00 0.15 3.99 2.10 -1.91 -2.94 116.57 120.25 3is4 h LYS 121 Ca -0.30 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.06 3is4 h LYS 121 Cb 1.24 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.58 3is4 h LYS 121 CO 0.45 0.01 -1.41 -0.44 -2.00 0.00 0.00 179.45 176.06 3is4 h ASP 122 N 0.00 0.50 -3.39 7.07 3.32 -1.93 -3.43 116.42 118.57 3is4 h ASP 122 Ca -0.00 -0.90 -0.18 0.00 0.02 0.00 0.00 57.03 55.97 3is4 h ASP 122 Cb 0.03 -0.16 -0.29 0.00 0.22 0.00 0.00 39.33 39.12 3is4 h ASP 122 CO 0.00 1.64 -0.46 -0.75 -1.72 0.00 0.00 179.24 177.95 3is4 s LYS 123 N -2.51 0.24 0.22 3.56 2.20 -1.11 0.14 119.74 122.48 3is4 s LYS 123 Ca -0.17 0.54 -0.13 0.00 -0.36 0.00 0.00 55.97 55.86 3is4 s LYS 123 Cb 0.04 -0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 3is4 s LYS 123 CO 0.82 -0.15 0.44 -0.59 -0.36 0.00 0.00 175.35 175.51 3is4 s PHE 124 N 1.16 0.29 0.06 4.03 -0.71 -0.42 -0.37 117.98 122.02 3is4 s PHE 124 Ca -0.08 -0.65 -0.12 0.00 -1.04 0.00 0.00 56.93 55.04 3is4 s PHE 124 Cb -0.09 0.17 -0.06 0.00 -1.21 0.00 0.00 43.02 41.82 3is4 s PHE 124 CO -0.08 -0.92 0.43 -0.47 -1.34 0.00 0.00 175.22 172.84 3is4 s TYR 125 N -3.98 3.64 -0.08 3.49 5.04 -1.25 -0.76 117.35 123.45 3is4 s TYR 125 Ca 0.19 0.90 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 3is4 s TYR 125 Cb 0.00 -2.24 0.02 0.00 0.35 0.00 0.00 41.96 40.10 3is4 s TYR 125 CO 0.05 0.55 -0.06 0.42 -1.34 0.00 0.00 175.55 175.16 3is4 s ILE 126 N -1.30 0.81 -2.00 3.14 1.01 -0.47 -0.16 121.20 122.22 3is4 s ILE 126 Ca 0.31 -0.21 0.23 0.00 0.00 0.00 0.00 60.65 60.98 3is4 s ILE 126 Cb -0.15 -0.83 0.66 0.00 0.01 0.00 0.00 42.46 42.15 3is4 s ILE 126 CO 0.17 0.31 1.77 -0.90 0.00 0.00 0.00 174.94 176.29 3is4 n ASP 127 N 4.55 0.00 -4.48 3.58 5.68 -0.45 -4.38 116.55 121.05 3is4 n ASP 127 Ca -0.16 -0.80 -0.43 0.00 -0.50 0.00 0.00 54.79 52.90 3is4 n ASP 127 Cb 0.51 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.45 3is4 n ASP 127 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3is4 s TYR 128 N -2.00 2.67 0.37 2.11 5.04 -1.26 -4.91 117.35 119.38 3is4 s TYR 128 Ca 0.35 -0.35 0.37 0.00 -2.44 0.00 0.00 57.07 55.00 3is4 s TYR 128 Cb 0.16 -4.26 1.80 0.00 0.35 0.00 0.00 41.96 40.01 3is4 s TYR 128 CO 0.27 -1.60 2.15 1.96 -1.34 0.00 0.00 175.55 176.99 3is4 h GLN 129 N 9.54 0.00 -0.53 4.97 4.20 -1.91 -1.81 115.11 129.57 3is4 h GLN 129 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 3is4 h GLN 129 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3is4 h GLN 129 CO 1.16 0.02 0.00 0.09 -0.67 0.00 0.00 178.83 179.43 3is4 n ASN 130 N -3.17 2.90 -0.14 1.46 3.02 -1.26 -4.60 115.26 113.47 3is4 n ASN 130 Ca -0.01 -2.12 -0.03 0.00 -0.03 0.00 0.00 54.58 52.38 3is4 n ASN 130 Cb 0.20 -0.38 0.05 0.00 -0.61 0.00 0.00 39.78 39.04 3is4 n ASN 130 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3is4 h LEU 131 N 2.80 -0.10 -0.40 3.41 5.85 -1.72 -2.74 115.31 122.41 3is4 h LEU 131 Ca 0.00 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 3is4 h LEU 131 Cb 0.81 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3is4 h LEU 131 CO 0.06 -0.02 -0.15 0.28 -0.34 0.00 0.00 178.44 178.28 3is4 h SER 132 N 0.16 0.82 1.19 1.25 0.02 -1.85 -2.33 113.55 112.82 3is4 h SER 132 Ca 0.22 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3is4 h SER 132 Cb 0.31 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3is4 h SER 132 CO -0.33 1.02 0.00 2.29 -1.14 0.00 0.00 176.83 178.66 3is4 n LYS 133 N -4.29 0.18 -0.06 3.45 2.85 -1.17 -3.33 118.16 115.79 3is4 n LYS 133 Ca -0.01 0.21 -0.10 0.00 -1.05 0.00 0.00 58.31 57.35 3is4 n LYS 133 Cb 0.39 -1.73 -0.15 0.00 -0.65 0.00 0.00 35.03 32.89 3is4 n LYS 133 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3is4 n VAL 134 N -2.05 1.52 -3.61 0.58 0.31 -1.04 -4.94 118.33 109.10 3is4 n VAL 134 Ca 0.05 -0.81 -0.37 0.00 -0.01 0.00 0.00 64.34 63.20 3is4 n VAL 134 Cb 0.36 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.40 3is4 n VAL 134 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3is4 s VAL 135 N -2.55 5.16 0.31 2.52 1.01 -0.88 -4.79 120.40 121.18 3is4 s VAL 135 Ca -0.08 0.57 0.09 0.00 0.00 0.00 0.00 61.98 62.55 3is4 s VAL 135 Cb 0.07 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3is4 s VAL 135 CO 0.82 0.50 0.10 -0.13 0.00 0.00 0.00 175.10 176.39 3is4 s ARG 136 N -1.33 2.38 0.26 2.72 1.81 -1.26 -4.89 118.95 118.63 3is4 s ARG 136 Ca 0.25 -1.48 -0.30 0.00 -1.72 0.00 0.00 55.73 52.47 3is4 s ARG 136 Cb -0.15 -2.19 -0.11 0.00 -0.45 0.00 0.00 34.95 32.05 3is4 s ARG 136 CO 0.13 0.21 1.56 -2.14 -0.68 0.00 0.00 175.30 174.38 3is4 s PRO 137 N -3.79 4.17 0.00 3.54 0.02 -1.26 -2.44 135.00 135.24 3is4 s PRO 137 Ca 0.35 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.85 3is4 s PRO 137 Cb -0.04 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.41 3is4 s PRO 137 CO 0.22 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 3is4 n GLY 138 N 2.56 2.35 3.72 0.52 0.00 0.40 -5.01 105.19 109.73 3is4 n GLY 138 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3is4 n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3is4 s ASN 139 N 0.01 4.04 -0.01 1.61 0.01 -1.02 -4.67 114.94 114.90 3is4 s ASN 139 Ca 0.00 2.27 0.00 0.00 -0.71 0.00 0.00 52.86 54.42 3is4 s ASN 139 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 3is4 s ASN 139 CO 0.00 -2.36 0.03 -0.31 -1.51 0.00 0.00 177.10 172.95 3is4 s TYR 140 N -2.18 3.17 -0.23 2.20 2.02 -1.26 -0.80 117.35 120.27 3is4 s TYR 140 Ca 0.72 0.14 -0.03 0.00 -0.37 0.00 0.00 57.07 57.53 3is4 s TYR 140 Cb -0.27 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 3is4 s TYR 140 CO 0.48 0.50 -0.05 0.42 -1.57 0.00 0.00 175.55 175.32 3is4 s ILE 141 N -1.10 3.19 -0.05 2.71 1.01 0.20 -4.28 121.20 122.88 3is4 s ILE 141 Ca 0.20 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 3is4 s ILE 141 Cb -0.12 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 3is4 s ILE 141 CO 0.11 0.38 0.36 -0.31 0.00 0.00 0.00 174.94 175.47 3is4 s TYR 142 N 1.44 3.66 0.00 3.97 1.51 -0.34 -0.14 117.35 127.44 3is4 s TYR 142 Ca 0.05 0.87 0.00 0.00 -1.01 0.00 0.00 57.07 56.98 3is4 s TYR 142 Cb -0.15 -2.27 -0.00 0.00 -0.11 0.00 0.00 41.96 39.43 3is4 s TYR 142 CO -0.04 0.57 -0.02 0.42 -1.11 0.00 0.00 175.55 175.37 3is4 s ILE 143 N -0.74 0.13 -0.41 2.71 1.01 0.12 -0.02 121.20 124.00 3is4 s ILE 143 Ca 0.22 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.64 3is4 s ILE 143 Cb -0.15 -0.13 0.01 0.00 0.01 0.00 0.00 42.46 42.20 3is4 s ILE 143 CO 0.11 -0.01 0.48 -0.67 0.00 0.00 0.00 174.94 174.85 3is4 n ASP 144 N 2.91 -6.49 -4.01 3.58 2.03 -0.19 -1.71 116.55 112.67 3is4 n ASP 144 Ca -0.13 0.25 -0.33 0.00 0.52 0.00 0.00 54.79 55.10 3is4 n ASP 144 Cb 0.59 -4.33 -0.03 0.00 -0.72 0.00 0.00 41.12 36.63 3is4 n ASP 144 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3is4 n ASP 145 N -0.77 -2.92 -0.35 1.67 8.00 -1.26 -1.38 116.55 119.55 3is4 n ASP 145 Ca 0.06 -0.84 -0.05 0.00 0.71 0.00 0.00 54.79 54.68 3is4 n ASP 145 Cb 0.40 -2.43 -0.02 0.00 -0.02 0.00 0.00 41.12 39.05 3is4 n ASP 145 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3is4 n GLY 146 N -1.21 0.63 0.07 0.44 0.00 -1.24 -4.91 105.19 98.97 3is4 n GLY 146 Ca 0.07 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 3is4 n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3is4 h ILE 147 N 0.00 1.54 -3.32 -0.61 2.04 -1.11 -3.43 117.51 112.62 3is4 h ILE 147 Ca -0.09 -1.75 -0.56 0.00 1.00 0.00 0.00 64.86 63.45 3is4 h ILE 147 Cb 0.65 2.72 -0.05 0.00 -0.74 0.00 0.00 36.82 39.40 3is4 h ILE 147 CO 0.14 0.45 0.37 -0.22 0.00 0.00 0.00 178.15 178.88 3is4 s LEU 148 N -8.69 4.26 -0.13 1.44 2.96 -0.69 -4.95 118.68 112.88 3is4 s LEU 148 Ca -0.17 1.35 0.02 0.00 -0.22 0.00 0.00 54.13 55.11 3is4 s LEU 148 Cb -0.01 -3.34 -0.00 0.00 0.50 0.00 0.00 46.19 43.33 3is4 s LEU 148 CO 0.66 -0.33 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.54 3is4 s ILE 149 N 1.63 2.42 0.04 6.68 1.01 -1.26 -0.71 121.20 131.01 3is4 s ILE 149 Ca 0.43 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 60.27 3is4 s ILE 149 Cb -0.18 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3is4 s ILE 149 CO 0.18 0.54 -0.16 -0.76 0.00 0.00 0.00 174.94 174.74 3is4 s LEU 150 N 0.54 2.72 -0.15 2.97 1.43 0.80 -1.85 118.68 125.14 3is4 s LEU 150 Ca -0.12 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 3is4 s LEU 150 Cb -0.16 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 3is4 s LEU 150 CO 0.04 0.25 -0.11 -1.58 0.23 0.00 0.00 176.35 175.19 3is4 s GLN 151 N -1.52 3.40 0.05 1.70 0.74 -0.03 0.62 119.66 124.61 3is4 s GLN 151 Ca 0.16 -0.66 -0.31 0.00 0.05 0.00 0.00 55.36 54.60 3is4 s GLN 151 Cb -0.11 -2.73 -0.06 0.00 1.10 0.00 0.00 33.01 31.21 3is4 s GLN 151 CO 0.06 0.13 1.31 0.08 -0.55 0.00 0.00 175.29 176.32 3is4 s VAL 152 N 0.59 3.77 -0.26 1.34 1.01 0.02 -0.93 120.40 125.95 3is4 s VAL 152 Ca -0.07 1.23 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 3is4 s VAL 152 Cb -0.15 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 3is4 s VAL 152 CO 0.03 0.06 -0.34 0.00 0.00 0.00 0.00 175.10 174.85 3is4 n GLN 153 N 4.45 0.58 -3.90 2.72 1.13 0.83 -0.45 117.38 122.73 3is4 n GLN 153 Ca 0.11 0.26 -0.08 0.00 -1.94 0.00 0.00 57.00 55.36 3is4 n GLN 153 Cb 0.44 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.28 3is4 n GLN 153 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3is4 s SER 154 N -7.16 -0.21 -0.50 1.08 1.04 -1.17 -4.68 113.70 102.09 3is4 s SER 154 Ca -0.37 -0.71 -0.25 0.00 0.48 0.00 0.00 55.95 55.11 3is4 s SER 154 Cb 0.12 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.97 3is4 s SER 154 CO 0.48 -1.29 0.93 -1.00 0.98 0.00 0.00 173.24 173.33 3is4 s HIS 155 N -3.94 2.87 0.15 5.02 3.76 -1.26 -0.78 115.29 121.11 3is4 s HIS 155 Ca 0.14 0.20 -0.12 0.00 -0.15 0.00 0.00 55.06 55.13 3is4 s HIS 155 Cb -0.04 -4.00 0.02 0.00 1.11 0.00 0.00 32.58 29.66 3is4 s HIS 155 CO 0.08 -1.20 1.60 1.49 -0.85 0.00 0.00 174.74 175.85 3is4 h GLU 156 N 9.18 0.87 0.00 1.40 4.57 -1.31 -3.47 114.58 125.82 3is4 h GLU 156 Ca -0.25 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3is4 h GLU 156 Cb 1.08 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 3is4 h GLU 156 CO 1.05 0.90 0.00 -0.40 -1.18 0.00 0.00 179.01 179.38 3is4 n ASP 157 N -4.33 0.00 0.23 1.04 5.68 -0.87 -4.96 116.55 113.34 3is4 n ASP 157 Ca 0.01 -0.47 0.06 0.00 -0.50 0.00 0.00 54.79 53.89 3is4 n ASP 157 Cb 0.31 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 40.83 3is4 n ASP 157 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3is4 h GLU 158 N 0.00 0.00 -0.00 0.11 4.81 -2.03 -3.14 114.58 114.32 3is4 h GLU 158 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3is4 h GLU 158 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3is4 h GLU 158 CO 0.00 0.16 -0.36 1.04 -0.73 0.00 0.00 179.01 179.12 3is4 n GLN 159 N -4.29 3.59 -4.96 1.92 6.02 -1.26 -4.81 117.38 113.59 3is4 n GLN 159 Ca -0.02 -0.15 -0.28 0.00 -0.01 0.00 0.00 57.00 56.54 3is4 n GLN 159 Cb 0.23 -0.95 -0.16 0.00 1.02 0.00 0.00 30.24 30.38 3is4 n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3is4 s THR 160 N -1.70 1.61 -0.08 5.09 2.01 -1.19 -1.27 115.64 120.11 3is4 s THR 160 Ca 0.04 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.24 3is4 s THR 160 Cb 0.07 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 3is4 s THR 160 CO 0.33 0.46 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.84 3is4 s LEU 161 N -0.03 2.82 -0.19 4.42 1.43 -0.22 -0.84 118.68 126.07 3is4 s LEU 161 Ca -0.03 -0.20 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 3is4 s LEU 161 Cb -0.12 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 3is4 s LEU 161 CO 0.03 0.29 0.74 -0.70 0.23 0.00 0.00 176.35 176.93 3is4 s GLU 162 N -0.39 4.25 0.05 1.70 2.12 0.04 -1.99 118.70 124.48 3is4 s GLU 162 Ca 0.05 0.83 0.07 0.00 0.36 0.00 0.00 54.97 56.27 3is4 s GLU 162 Cb -0.12 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 3is4 s GLU 162 CO 0.02 -0.29 -0.20 0.00 -0.54 0.00 0.00 175.26 174.25 3is4 s THR 164 N -0.84 5.13 -0.43 0.00 2.01 -0.10 -0.76 115.64 120.66 3is4 s THR 164 Ca 0.07 0.78 -0.26 0.00 0.31 0.00 0.00 61.69 62.59 3is4 s THR 164 Cb -0.09 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.74 3is4 s THR 164 CO 0.02 0.49 0.94 -0.69 -0.69 0.00 0.00 174.62 174.69 3is4 s VAL 165 N -0.43 4.49 -0.36 3.82 1.01 -0.39 -0.85 120.40 127.69 3is4 s VAL 165 Ca 0.22 0.94 0.21 0.00 0.00 0.00 0.00 61.98 63.35 3is4 s VAL 165 Cb -0.15 -4.41 0.25 0.00 0.00 0.00 0.00 36.38 32.07 3is4 s VAL 165 CO 0.11 -0.74 1.54 0.71 0.00 0.00 0.00 175.10 176.71 3is4 h THR 166 N 6.00 0.21 -3.24 3.92 1.35 -1.68 -0.90 112.91 118.56 3is4 h THR 166 Ca -0.24 -1.30 -0.11 0.00 -0.55 0.00 0.00 66.41 64.21 3is4 h THR 166 Cb 1.08 2.08 -0.19 0.00 -1.73 0.00 0.00 68.15 69.39 3is4 h THR 166 CO 1.02 0.12 -0.30 0.54 -0.25 0.00 0.00 175.52 176.65 3is4 s ASN 167 N -6.23 -0.12 -0.18 5.36 4.22 -1.25 -4.79 114.94 111.95 3is4 s ASN 167 Ca 0.06 -0.10 -0.29 0.00 -2.14 0.00 0.00 52.86 50.38 3is4 s ASN 167 Cb 0.06 0.32 -0.01 0.00 1.28 0.00 0.00 41.25 42.90 3is4 s ASN 167 CO 0.69 -0.52 1.19 -0.44 -2.04 0.00 0.00 177.10 175.99 3is4 s SER 168 N -1.71 7.00 -0.22 3.54 0.01 -1.26 -4.31 113.70 116.75 3is4 s SER 168 Ca -0.09 1.60 -0.18 0.00 1.31 0.00 0.00 55.95 58.58 3is4 s SER 168 Cb -0.03 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.72 3is4 s SER 168 CO 0.00 -0.73 0.58 -2.28 0.41 0.00 0.00 173.24 171.22 3is4 s HIS 169 N 3.36 -0.70 -0.23 2.43 5.04 -0.85 -4.98 115.29 119.35 3is4 s HIS 169 Ca 0.51 1.61 -0.15 0.00 -1.54 0.00 0.00 55.06 55.50 3is4 s HIS 169 Cb -0.20 0.28 -0.04 0.00 0.04 0.00 0.00 32.58 32.67 3is4 s HIS 169 CO 0.12 -0.34 0.37 0.99 -2.34 0.00 0.00 174.74 173.54 3is4 s THR 170 N 0.62 5.20 0.07 0.89 2.01 -1.26 -2.47 115.64 120.69 3is4 s THR 170 Ca -0.02 0.61 0.05 0.00 0.31 0.00 0.00 61.69 62.64 3is4 s THR 170 Cb -0.05 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 3is4 s THR 170 CO -0.04 0.22 -0.06 0.27 -0.69 0.00 0.00 174.62 174.33 3is4 s ILE 171 N 1.60 3.68 0.10 1.82 -4.36 -0.86 -4.98 121.20 118.20 3is4 s ILE 171 Ca 0.16 -1.01 0.01 0.00 -0.26 0.00 0.00 60.65 59.56 3is4 s ILE 171 Cb -0.15 -2.69 0.01 0.00 1.25 0.00 0.00 42.46 40.88 3is4 s ILE 171 CO 0.08 0.21 0.10 -1.54 0.24 0.00 0.00 174.94 174.03 3is4 n SER 172 N 0.95 0.97 -4.76 4.36 3.41 -1.26 -1.67 113.62 115.62 3is4 n SER 172 Ca -0.13 -1.31 -0.37 0.00 -0.26 0.00 0.00 58.87 56.80 3is4 n SER 172 Cb 0.52 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.47 3is4 n SER 172 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3is4 s ASP 173 N -1.60 5.39 -1.45 4.04 1.11 -1.25 -4.01 116.67 118.90 3is4 s ASP 173 Ca 0.07 2.46 -0.07 0.00 0.18 0.00 0.00 52.55 55.20 3is4 s ASP 173 Cb -0.01 -2.61 0.05 0.00 1.07 0.00 0.00 42.92 41.42 3is4 s ASP 173 CO 0.05 -1.46 0.76 0.54 1.18 0.00 0.00 175.17 176.24 3is4 n ARG 174 N -1.24 -4.67 -2.99 8.23 3.00 -0.77 -4.96 116.66 113.26 3is4 n ARG 174 Ca 0.12 0.55 -0.37 0.00 -0.01 0.00 0.00 57.85 58.13 3is4 n ARG 174 Cb 0.48 -5.16 -0.06 0.00 0.00 0.00 0.00 32.46 27.72 3is4 n ARG 174 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3is4 s ARG 175 N -6.42 4.40 0.25 5.56 3.00 -1.26 -4.69 118.95 119.79 3is4 s ARG 175 Ca 0.32 1.05 -0.30 0.00 0.00 0.00 0.00 55.73 56.80 3is4 s ARG 175 Cb -0.16 -2.93 -0.09 0.00 0.00 0.00 0.00 34.95 31.77 3is4 s ARG 175 CO 0.84 0.40 1.13 0.20 0.00 0.00 0.00 175.30 177.87 3is4 s GLY 176 N -1.55 2.95 0.17 -3.53 0.00 -1.26 -0.46 107.32 103.64 3is4 s GLY 176 Ca 0.44 0.92 0.10 0.00 0.00 0.00 0.00 44.72 46.17 3is4 s GLY 176 CO 0.23 1.62 -0.17 -1.34 0.00 0.00 0.00 173.10 173.44 3is4 s VAL 177 N -0.79 2.80 0.04 1.40 -7.23 0.07 -1.02 120.40 115.68 3is4 s VAL 177 Ca 0.47 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.94 3is4 s VAL 177 Cb -0.32 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 3is4 s VAL 177 CO 0.40 -0.06 -0.15 0.20 -0.31 0.00 0.00 175.10 175.18 3is4 s ASN 178 N -2.60 1.74 -0.62 4.85 0.01 0.98 -4.62 114.94 114.68 3is4 s ASN 178 Ca 0.22 -0.49 0.05 0.00 -0.71 0.00 0.00 52.86 51.92 3is4 s ASN 178 Cb -0.09 -0.11 0.15 0.00 0.41 0.00 0.00 41.25 41.62 3is4 s ASN 178 CO 0.12 0.03 0.39 -0.76 -1.51 0.00 0.00 177.10 175.37 3is4 s LEU 179 N -1.23 4.54 0.45 0.60 1.02 -1.26 -1.20 118.68 121.59 3is4 s LEU 179 Ca 0.02 -3.48 0.11 0.00 0.02 0.00 0.00 54.13 50.79 3is4 s LEU 179 Cb -0.08 -1.61 1.00 0.00 0.02 0.00 0.00 46.19 45.52 3is4 s LEU 179 CO 0.01 -0.15 2.08 -0.65 0.02 0.00 0.00 176.35 177.66 3is4 h PRO 180 N 5.87 0.31 -0.53 1.29 0.11 -1.95 -2.46 132.00 134.64 3is4 h PRO 180 Ca 0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3is4 h PRO 180 Cb 0.81 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3is4 h PRO 180 CO 0.70 0.23 0.00 0.41 -0.21 0.00 0.00 178.00 179.13 3is4 n GLY 181 N -1.43 2.71 3.28 -0.55 0.00 -1.26 -4.87 105.19 103.06 3is4 n GLY 181 Ca 0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 3is4 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3is4 s ASP 183 N -1.06 6.63 -0.14 0.00 1.01 -1.26 -4.87 116.67 116.98 3is4 s ASP 183 Ca 0.09 0.44 -0.29 0.00 0.71 0.00 0.00 52.55 53.50 3is4 s ASP 183 Cb -0.09 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 3is4 s ASP 183 CO 0.01 -1.20 1.11 -0.69 0.21 0.00 0.00 175.17 174.62 3is4 s VAL 184 N 4.30 4.53 -0.27 -1.27 1.01 -1.26 -4.94 120.40 122.50 3is4 s VAL 184 Ca 0.46 1.83 0.15 0.00 0.00 0.00 0.00 61.98 64.43 3is4 s VAL 184 Cb -0.08 -4.18 0.70 0.00 0.00 0.00 0.00 36.38 32.82 3is4 s VAL 184 CO 0.30 -0.08 1.62 -0.90 0.00 0.00 0.00 175.10 176.04 3is4 n ASP 185 N 5.76 4.96 -4.56 3.32 3.85 -1.26 -4.99 116.55 123.62 3is4 n ASP 185 Ca 0.11 -2.93 -0.38 0.00 -0.71 0.00 0.00 54.79 50.88 3is4 n ASP 185 Cb 0.47 -0.62 0.05 0.00 -1.35 0.00 0.00 41.12 39.66 3is4 n ASP 185 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3is4 n LEU 186 N 0.21 2.62 -4.67 -2.12 4.77 -1.26 -4.94 117.00 111.61 3is4 n LEU 186 Ca 0.25 0.79 -0.32 0.00 -0.03 0.00 0.00 56.01 56.70 3is4 n LEU 186 Cb 1.06 -1.31 0.15 0.00 -2.33 0.00 0.00 43.42 40.99 3is4 n LEU 186 CO 0.25 -2.28 0.69 -0.81 -1.33 0.00 0.00 177.39 173.91 3is4 n PRO 187 N -0.65 -0.19 -0.20 3.23 -0.04 -1.26 -4.90 135.00 130.99 3is4 n PRO 187 Ca 0.13 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3is4 n PRO 187 Cb 0.47 -2.39 0.11 0.00 -0.04 0.00 0.00 33.50 31.66 3is4 n PRO 187 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3is4 h ALA 188 N -1.48 0.78 -4.03 0.55 0.00 -1.92 -3.43 119.26 109.73 3is4 h ALA 188 Ca -0.44 0.09 -0.46 0.00 0.00 0.00 0.00 54.91 54.10 3is4 h ALA 188 Cb 1.28 0.08 -0.28 0.00 0.00 0.00 0.00 17.79 18.88 3is4 h ALA 188 CO 0.43 -0.22 -0.80 0.14 0.00 0.00 0.00 179.25 178.80 3is4 s VAL 189 N -6.09 1.07 0.95 0.00 -7.23 -1.26 -4.58 120.40 103.25 3is4 s VAL 189 Ca -0.13 -0.72 -0.15 0.00 -1.81 0.00 0.00 61.98 59.18 3is4 s VAL 189 Cb 0.17 -0.92 0.17 0.00 0.56 0.00 0.00 36.38 36.37 3is4 s VAL 189 CO 0.74 0.19 1.24 -0.94 -0.31 0.00 0.00 175.10 176.03 3is4 s SER 190 N -0.60 3.24 0.14 4.85 1.04 -1.26 -4.87 113.70 116.24 3is4 s SER 190 Ca 0.04 0.52 -0.16 0.00 0.48 0.00 0.00 55.95 56.83 3is4 s SER 190 Cb -0.06 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.30 3is4 s SER 190 CO 0.00 -2.68 1.70 0.00 0.98 0.00 0.00 173.24 173.25 3is4 h ALA 191 N -1.60 0.54 -0.62 5.32 0.00 -1.99 -1.52 119.26 119.39 3is4 h ALA 191 Ca -0.46 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.42 3is4 h ALA 191 Cb 1.28 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 3is4 h ALA 191 CO 0.47 0.12 0.26 -0.22 0.00 0.00 0.00 179.25 179.89 3is4 h LYS 192 N 0.53 0.46 -0.11 0.00 3.64 -1.98 -0.83 116.57 118.28 3is4 h LYS 192 Ca 0.14 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3is4 h LYS 192 Cb 0.15 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3is4 h LYS 192 CO -0.01 0.30 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.95 3is4 h ASP 193 N 0.47 -0.26 -0.95 4.20 3.32 -1.83 0.70 116.42 122.08 3is4 h ASP 193 Ca 0.31 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.44 3is4 h ASP 193 Cb 0.34 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 3is4 h ASP 193 CO -0.27 -0.11 0.62 0.03 -1.72 0.00 0.00 179.24 177.79 3is4 h ARG 194 N -0.09 1.18 -0.05 3.56 3.08 -0.80 0.47 114.38 121.73 3is4 h ARG 194 Ca 0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3is4 h ARG 194 Cb 0.19 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3is4 h ARG 194 CO -0.16 0.78 -0.00 0.28 -1.07 0.00 0.00 179.97 179.80 3is4 h VAL 195 N 1.22 1.25 -0.88 2.04 2.07 -0.66 -2.78 116.25 118.50 3is4 h VAL 195 Ca 0.37 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3is4 h VAL 195 Cb -0.03 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3is4 h VAL 195 CO -0.11 0.21 0.49 0.44 0.02 0.00 0.00 177.57 178.62 3is4 h ASP 196 N -0.21 1.10 -0.52 0.57 3.32 0.11 -2.30 116.42 118.49 3is4 h ASP 196 Ca 0.01 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 3is4 h ASP 196 Cb 0.33 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3is4 h ASP 196 CO 0.00 0.88 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.30 3is4 h LEU 197 N 1.23 0.95 -1.03 1.55 3.38 -0.12 -0.03 115.31 121.24 3is4 h LEU 197 Ca 0.31 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3is4 h LEU 197 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3is4 h LEU 197 CO -0.05 1.02 -0.13 -0.61 0.09 0.00 0.00 178.44 178.75 3is4 h GLN 198 N 0.88 0.54 -0.51 1.13 5.75 -1.34 -1.65 115.11 119.92 3is4 h GLN 198 Ca 0.16 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3is4 h GLN 198 Cb 0.55 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 3is4 h GLN 198 CO 0.03 0.67 0.24 0.35 -2.65 0.00 0.00 178.83 177.46 3is4 h PHE 199 N 0.50 0.73 -0.44 3.99 3.57 -0.83 -1.90 116.94 122.55 3is4 h PHE 199 Ca 0.09 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.61 3is4 h PHE 199 Cb 0.53 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 3is4 h PHE 199 CO 0.02 0.58 0.13 0.78 -2.23 0.00 0.00 178.31 177.59 3is4 h GLY 200 N 0.67 0.56 0.86 2.40 0.00 -0.55 -0.26 103.07 106.75 3is4 h GLY 200 Ca 0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 3is4 h GLY 200 CO -0.02 -0.01 0.01 -2.08 0.00 0.00 0.00 176.54 174.43 3is4 h VAL 201 N 0.28 1.12 -0.86 4.60 2.07 -1.19 0.86 116.25 123.13 3is4 h VAL 201 Ca 0.21 -0.35 0.15 0.00 0.82 0.00 0.00 66.70 67.53 3is4 h VAL 201 Cb 0.23 1.33 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 3is4 h VAL 201 CO -0.24 0.09 0.45 -0.33 0.02 0.00 0.00 177.57 177.56 3is4 h GLU 202 N -0.12 0.63 -0.01 1.57 5.08 -1.08 -1.74 114.58 118.90 3is4 h GLU 202 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3is4 h GLU 202 Cb 0.14 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3is4 h GLU 202 CO -0.00 0.41 -0.08 1.04 -1.00 0.00 0.00 179.01 179.38 3is4 n GLN 203 N -4.85 1.26 -2.82 2.33 1.13 -0.13 -4.96 117.38 109.33 3is4 n GLN 203 Ca 0.17 -0.67 -0.10 0.00 -1.94 0.00 0.00 57.00 54.47 3is4 n GLN 203 Cb 0.43 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.35 3is4 n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3is4 n GLY 204 N 1.22 -0.07 3.78 1.08 0.00 0.22 -5.02 105.19 106.40 3is4 n GLY 204 Ca 0.17 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3is4 n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3is4 s VAL 205 N -3.22 3.36 0.03 1.61 -7.23 -0.71 -4.98 120.40 109.27 3is4 s VAL 205 Ca 0.03 0.74 0.08 0.00 -1.81 0.00 0.00 61.98 61.03 3is4 s VAL 205 Cb -0.00 -3.26 -0.23 0.00 0.56 0.00 0.00 36.38 33.45 3is4 s VAL 205 CO 0.44 -0.29 0.93 0.44 -0.31 0.00 0.00 175.10 176.31 3is4 h ASP 206 N 0.74 0.05 -5.01 4.85 3.32 -1.67 -3.46 116.42 115.23 3is4 h ASP 206 Ca -0.48 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.43 3is4 h ASP 206 Cb 1.25 -0.01 -0.18 0.00 0.22 0.00 0.00 39.33 40.60 3is4 h ASP 206 CO 0.56 1.06 0.02 0.00 -1.72 0.00 0.00 179.24 179.16 3is4 s MET 207 N -2.64 0.98 -0.15 3.56 0.23 -1.18 -2.42 119.30 117.68 3is4 s MET 207 Ca -0.03 -0.09 -0.04 0.00 -1.03 0.00 0.00 55.69 54.50 3is4 s MET 207 Cb 0.09 0.45 -0.03 0.00 -1.53 0.00 0.00 34.83 33.81 3is4 s MET 207 CO 0.83 -0.33 -0.03 0.42 -2.03 0.00 0.00 175.02 173.88 3is4 s ILE 208 N -1.91 3.99 -0.57 3.16 -1.09 0.83 -1.57 121.20 124.04 3is4 s ILE 208 Ca -0.08 -0.33 -0.17 0.00 -2.23 0.00 0.00 60.65 57.84 3is4 s ILE 208 Cb -0.01 -2.74 0.12 0.00 -1.58 0.00 0.00 42.46 38.25 3is4 s ILE 208 CO 0.03 0.51 0.60 -0.36 -1.23 0.00 0.00 174.94 174.48 3is4 s PHE 209 N 0.18 3.16 -0.32 3.97 0.08 0.13 -0.19 117.98 124.99 3is4 s PHE 209 Ca -0.01 -1.17 -0.22 0.00 0.12 0.00 0.00 56.93 55.64 3is4 s PHE 209 Cb -0.14 -3.89 -0.00 0.00 -0.57 0.00 0.00 43.02 38.42 3is4 s PHE 209 CO 0.03 -1.14 0.73 0.00 -0.10 0.00 0.00 175.22 174.74 3is4 s ALA 210 N 2.02 3.51 0.49 5.36 0.00 0.01 -1.49 121.76 131.66 3is4 s ALA 210 Ca 0.07 -0.56 -0.22 0.00 0.00 0.00 0.00 51.96 51.25 3is4 s ALA 210 Cb -0.27 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 3is4 s ALA 210 CO 0.04 -1.22 1.19 -1.12 0.00 0.00 0.00 175.76 174.65 3is4 s SER 211 N 1.67 5.93 -1.47 0.00 0.01 -1.26 -1.08 113.70 117.50 3is4 s SER 211 Ca 0.30 2.37 -0.06 0.00 1.31 0.00 0.00 55.95 59.87 3is4 s SER 211 Cb -0.14 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.49 3is4 s SER 211 CO 0.13 -1.09 0.80 0.33 0.41 0.00 0.00 173.24 173.82 3is4 n PHE 212 N -0.71 -2.25 -2.32 2.43 7.35 -1.22 -4.84 117.46 115.90 3is4 n PHE 212 Ca 0.09 0.68 -0.42 0.00 -0.76 0.00 0.00 57.45 57.03 3is4 n PHE 212 Cb 0.48 -4.64 -0.03 0.00 0.35 0.00 0.00 39.48 35.64 3is4 n PHE 212 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3is4 s ILE 213 N -3.22 3.96 -0.01 -2.13 -1.09 -0.92 -4.89 121.20 112.90 3is4 s ILE 213 Ca 0.39 1.31 0.03 0.00 -2.23 0.00 0.00 60.65 60.15 3is4 s ILE 213 Cb -0.17 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 3is4 s ILE 213 CO 0.49 -0.02 0.05 0.54 -1.23 0.00 0.00 174.94 174.78 3is4 n ARG 214 N 5.48 0.98 -3.90 2.79 1.74 -1.26 -4.17 116.66 118.33 3is4 n ARG 214 Ca 0.12 -0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 57.09 3is4 n ARG 214 Cb 0.45 -1.08 -0.06 0.00 -1.02 0.00 0.00 32.46 30.75 3is4 n ARG 214 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3is4 s SER 215 N -2.62 -0.00 0.15 0.55 1.04 -1.26 -3.87 113.70 107.69 3is4 s SER 215 Ca -0.01 -0.76 -0.11 0.00 0.48 0.00 0.00 55.95 55.55 3is4 s SER 215 Cb 0.02 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.60 3is4 s SER 215 CO 0.13 -0.89 1.59 0.00 0.98 0.00 0.00 173.24 175.05 3is4 h ALA 216 N 2.52 0.69 -1.00 5.32 0.00 -1.87 -2.82 119.26 122.09 3is4 h ALA 216 Ca -0.32 -0.31 0.21 0.00 0.00 0.00 0.00 54.91 54.49 3is4 h ALA 216 Cb 1.23 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 3is4 h ALA 216 CO 0.48 0.54 0.61 1.49 0.00 0.00 0.00 179.25 182.36 3is4 h GLU 217 N 0.78 0.69 0.00 0.00 4.81 -1.97 -1.24 114.58 117.66 3is4 h GLU 217 Ca 0.14 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3is4 h GLU 217 Cb 0.58 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3is4 h GLU 217 CO 0.03 0.46 -0.19 1.96 -0.73 0.00 0.00 179.01 180.55 3is4 h GLN 218 N 0.71 0.00 -0.62 1.92 4.20 -1.92 -1.80 115.11 117.60 3is4 h GLN 218 Ca 0.60 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.27 3is4 h GLN 218 Cb 1.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 3is4 h GLN 218 CO -0.41 0.19 0.22 0.28 -0.67 0.00 0.00 178.83 178.43 3is4 h VAL 219 N 0.00 1.23 -0.71 -0.54 2.07 -1.28 -2.61 116.25 114.41 3is4 h VAL 219 Ca -0.00 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 3is4 h VAL 219 Cb 0.34 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3is4 h VAL 219 CO 0.02 0.29 0.43 1.23 0.02 0.00 0.00 177.57 179.56 3is4 h GLY 220 N 1.01 1.03 1.03 2.17 0.00 -1.34 -1.94 103.07 105.02 3is4 h GLY 220 Ca 0.21 -0.43 0.02 0.00 0.00 0.00 0.00 47.33 47.13 3is4 h GLY 220 CO -0.01 0.41 0.62 -0.55 0.00 0.00 0.00 176.54 177.01 3is4 h ASP 221 N 0.96 1.05 -0.27 0.19 3.32 -1.34 0.11 116.42 120.44 3is4 h ASP 221 Ca 0.25 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 3is4 h ASP 221 Cb -0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3is4 h ASP 221 CO -0.05 0.74 0.06 0.58 -1.72 0.00 0.00 179.24 178.86 3is4 h VAL 222 N 1.23 1.22 -0.65 -1.35 2.07 -1.20 -1.67 116.25 115.89 3is4 h VAL 222 Ca 0.36 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3is4 h VAL 222 Cb -0.08 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3is4 h VAL 222 CO -0.09 0.23 0.39 -0.09 0.02 0.00 0.00 177.57 178.04 3is4 h ARG 223 N 0.27 0.74 -0.36 1.57 9.65 -0.66 -1.20 114.38 124.38 3is4 h ARG 223 Ca 0.08 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.82 3is4 h ARG 223 Cb 0.29 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 3is4 h ARG 223 CO 0.00 0.49 -0.20 0.87 2.80 0.00 0.00 179.97 183.93 3is4 h LYS 224 N 0.76 0.68 0.00 0.20 1.57 -0.75 -2.15 116.57 116.88 3is4 h LYS 224 Ca 0.27 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3is4 h LYS 224 Cb 0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3is4 h LYS 224 CO -0.12 0.83 -0.29 0.00 -0.57 0.00 0.00 179.45 179.29 3is4 h ALA 225 N 1.18 1.22 0.00 3.86 0.00 -0.83 -2.36 119.26 122.34 3is4 h ALA 225 Ca 0.09 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3is4 h ALA 225 Cb 0.67 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3is4 h ALA 225 CO 0.05 0.37 -0.59 -0.07 0.00 0.00 0.00 179.25 179.00 3is4 h LEU 226 N 0.00 0.00 -0.14 0.00 3.38 -0.83 -3.40 115.31 114.32 3is4 h LEU 226 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.14 3is4 h LEU 226 Cb 0.64 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 3is4 h LEU 226 CO 0.04 0.59 -0.28 0.61 0.09 0.00 0.00 178.44 179.49 3is4 n GLY 227 N 0.83 -1.74 0.37 0.83 0.00 -0.84 -2.88 105.19 101.76 3is4 n GLY 227 Ca 0.00 -1.35 0.18 0.00 0.00 0.00 0.00 46.02 44.86 3is4 n GLY 227 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3is4 h PRO 228 N -0.61 0.06 0.00 1.61 0.11 -1.88 -1.17 132.00 130.12 3is4 h PRO 228 Ca -0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3is4 h PRO 228 Cb 0.60 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3is4 h PRO 228 CO 0.01 0.04 -0.17 1.63 -0.21 0.00 0.00 178.00 179.30 3is4 n LYS 229 N -4.40 0.24 -0.79 1.05 5.02 -1.26 -3.65 118.16 114.36 3is4 n LYS 229 Ca 0.09 0.16 -0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3is4 n LYS 229 Cb 0.55 -1.74 0.28 0.00 -0.02 0.00 0.00 35.03 34.10 3is4 n LYS 229 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3is4 n GLY 230 N 1.34 3.99 0.18 0.72 0.00 -0.44 -4.73 105.19 106.25 3is4 n GLY 230 Ca 0.05 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 45.05 3is4 n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3is4 h ARG 231 N 2.14 0.00 -0.05 1.61 0.11 -1.62 -2.76 114.38 113.80 3is4 h ARG 231 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 3is4 h ARG 231 Cb 1.91 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.99 3is4 h ARG 231 CO 0.50 0.41 0.00 -0.25 0.10 0.00 0.00 179.97 180.73 3is4 n ASP 232 N -3.91 1.40 -4.71 0.08 8.00 -1.26 -4.87 116.55 111.28 3is4 n ASP 232 Ca -0.01 -1.52 -0.40 0.00 0.71 0.00 0.00 54.79 53.57 3is4 n ASP 232 Cb 0.46 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.49 3is4 n ASP 232 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3is4 s ILE 233 N -1.95 5.01 0.28 0.53 1.01 -1.04 -5.00 121.20 120.03 3is4 s ILE 233 Ca 0.37 1.57 -0.29 0.00 0.00 0.00 0.00 60.65 62.29 3is4 s ILE 233 Cb 0.20 -4.10 -0.10 0.00 0.01 0.00 0.00 42.46 38.48 3is4 s ILE 233 CO 0.32 0.22 1.13 -0.04 0.00 0.00 0.00 174.94 176.58 3is4 s MET 234 N 0.90 4.59 -0.30 2.79 -1.94 -1.01 -4.88 119.30 119.45 3is4 s MET 234 Ca 0.40 1.87 -0.08 0.00 -1.71 0.00 0.00 55.69 56.18 3is4 s MET 234 Cb -0.18 -3.17 0.00 0.00 2.01 0.00 0.00 34.83 33.49 3is4 s MET 234 CO 0.20 0.14 0.10 0.42 -0.01 0.00 0.00 175.02 175.87 3is4 s ILE 235 N -1.11 4.16 -0.34 2.53 1.01 -1.26 -0.12 121.20 126.07 3is4 s ILE 235 Ca 0.45 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 60.40 3is4 s ILE 235 Cb -0.33 -3.14 0.02 0.00 0.01 0.00 0.00 42.46 39.01 3is4 s ILE 235 CO 0.43 0.07 0.16 -0.63 0.00 0.00 0.00 174.94 174.97 3is4 s ILE 236 N 1.54 4.42 -0.12 2.92 -1.09 0.74 -1.15 121.20 128.45 3is4 s ILE 236 Ca 0.03 -0.73 -0.28 0.00 -2.23 0.00 0.00 60.65 57.44 3is4 s ILE 236 Cb -0.17 -3.38 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 3is4 s ILE 236 CO 0.04 -0.10 0.92 0.00 -1.23 0.00 0.00 174.94 174.57 3is4 s LYS 238 N 1.94 3.92 -0.35 0.00 1.02 -0.24 -0.91 119.74 125.12 3is4 s LYS 238 Ca 0.44 0.53 -0.20 0.00 0.02 0.00 0.00 55.97 56.76 3is4 s LYS 238 Cb -0.18 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.39 3is4 s LYS 238 CO 0.16 -0.72 0.59 0.42 -0.92 0.00 0.00 175.35 174.88 3is4 s ILE 239 N 3.00 4.94 0.00 2.17 -1.09 -0.36 -2.16 121.20 127.69 3is4 s ILE 239 Ca 0.32 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 3is4 s ILE 239 Cb -0.14 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 3is4 s ILE 239 CO 0.14 -0.27 0.00 -0.62 -1.23 0.00 0.00 174.94 172.95 3is4 n GLU 240 N 5.93 3.77 -4.15 2.79 1.02 -1.26 -2.63 120.64 126.10 3is4 n GLU 240 Ca -0.03 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 3is4 n GLU 240 Cb 0.49 -0.51 -0.05 0.00 -0.02 0.00 0.00 31.44 31.34 3is4 n GLU 240 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3is4 s ASN 241 N -0.91 1.17 0.40 1.62 4.22 -1.26 -2.29 114.94 117.89 3is4 s ASN 241 Ca 0.00 -1.58 0.12 0.00 -2.14 0.00 0.00 52.86 49.25 3is4 s ASN 241 Cb 0.00 0.63 0.93 0.00 1.28 0.00 0.00 41.25 44.09 3is4 s ASN 241 CO 0.00 -1.22 1.94 1.12 -2.04 0.00 0.00 177.10 176.90 3is4 h HIS 242 N 2.12 0.59 -0.24 1.54 2.07 -1.91 -2.65 115.15 116.67 3is4 h HIS 242 Ca -0.27 0.02 -0.02 0.00 -2.85 0.00 0.00 60.37 57.24 3is4 h HIS 242 Cb 1.24 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 31.02 3is4 h HIS 242 CO 1.56 0.26 0.08 1.96 -3.07 0.00 0.00 177.93 178.72 3is4 h GLN 243 N 0.54 0.38 -0.69 5.12 4.20 -1.94 0.16 115.11 122.88 3is4 h GLN 243 Ca 0.34 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 3is4 h GLN 243 Cb 0.58 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 3is4 h GLN 243 CO -0.11 0.46 0.38 0.78 -0.67 0.00 0.00 178.83 179.66 3is4 h GLY 244 N 0.23 1.01 0.62 3.46 0.00 -1.59 0.51 103.07 107.31 3is4 h GLY 244 Ca 0.08 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3is4 h GLY 244 CO -0.00 0.42 -0.01 -2.08 0.00 0.00 0.00 176.54 174.87 3is4 h VAL 245 N 0.95 1.27 -0.46 4.60 2.07 -1.18 -1.92 116.25 121.59 3is4 h VAL 245 Ca 0.24 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.95 3is4 h VAL 245 Cb 0.02 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3is4 h VAL 245 CO -0.04 0.22 0.16 1.56 0.02 0.00 0.00 177.57 179.50 3is4 h GLN 246 N -0.40 0.32 -0.37 1.57 4.20 -0.48 -2.55 115.11 117.42 3is4 h GLN 246 Ca -0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3is4 h GLN 246 Cb 0.38 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3is4 h GLN 246 CO 0.00 0.21 0.00 0.09 -0.67 0.00 0.00 178.83 178.47 3is4 n ASN 247 N -5.01 1.78 -0.34 1.46 3.02 0.15 -4.63 115.26 111.69 3is4 n ASN 247 Ca 0.04 -2.05 0.16 0.00 -0.03 0.00 0.00 54.58 52.70 3is4 n ASN 247 Cb 0.18 -0.25 0.35 0.00 -0.61 0.00 0.00 39.78 39.45 3is4 n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3is4 h ILE 248 N 1.75 0.57 0.10 2.41 6.09 -0.90 -2.48 117.51 125.05 3is4 h ILE 248 Ca 0.00 -0.20 -0.01 0.00 -1.37 0.00 0.00 64.86 63.28 3is4 h ILE 248 Cb 0.49 -0.08 0.00 0.00 0.47 0.00 0.00 36.82 37.71 3is4 h ILE 248 CO 0.02 0.11 -0.05 0.44 -3.07 0.00 0.00 178.15 175.60 3is4 h ASP 249 N 0.59 -0.12 -0.26 2.19 3.32 -1.85 -0.36 116.42 119.93 3is4 h ASP 249 Ca 0.61 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.53 3is4 h ASP 249 Cb 1.12 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3is4 h ASP 249 CO -0.46 -0.08 -0.29 0.77 -1.72 0.00 0.00 179.24 177.46 3is4 h SER 250 N -0.15 0.79 0.04 6.45 4.64 -1.84 -2.44 113.55 121.05 3is4 h SER 250 Ca -0.01 -0.31 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 3is4 h SER 250 Cb 0.11 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3is4 h SER 250 CO 0.02 1.03 -0.07 0.40 -0.87 0.00 0.00 176.83 177.34 3is4 h ILE 251 N 0.65 0.83 -0.46 0.95 2.04 -1.27 -2.55 117.51 117.69 3is4 h ILE 251 Ca 0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.02 3is4 h ILE 251 Cb 0.82 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.66 3is4 h ILE 251 CO 0.07 0.00 0.07 0.40 0.00 0.00 0.00 178.15 178.69 3is4 h ILE 252 N -0.15 0.72 -1.00 -0.67 2.04 -1.01 -0.49 117.51 116.95 3is4 h ILE 252 Ca 0.01 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 65.92 3is4 h ILE 252 Cb 0.16 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 36.67 3is4 h ILE 252 CO -0.04 0.04 0.63 -0.08 0.00 0.00 0.00 178.15 178.69 3is4 h GLU 253 N 0.19 0.99 0.00 2.37 4.81 -1.20 -2.67 114.58 119.06 3is4 h GLU 253 Ca 0.23 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.24 3is4 h GLU 253 Cb 0.31 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3is4 h GLU 253 CO -0.32 0.65 -1.00 0.93 -0.73 0.00 0.00 179.01 178.54 3is4 h GLU 254 N 1.02 0.00 -7.04 1.92 4.39 -1.03 -3.47 114.58 110.36 3is4 h GLU 254 Ca 0.48 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.73 3is4 h GLU 254 Cb 0.44 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.15 3is4 h GLU 254 CO -0.25 0.52 0.07 -1.54 -1.16 0.00 0.00 179.01 176.65 3is4 s SER 255 N -6.24 4.77 0.00 1.42 1.04 -0.24 -4.98 113.70 109.48 3is4 s SER 255 Ca 0.00 -0.08 0.24 0.00 0.48 0.00 0.00 55.95 56.59 3is4 s SER 255 Cb 0.08 -0.54 0.26 0.00 0.10 0.00 0.00 66.02 65.92 3is4 s SER 255 CO 0.79 -1.55 1.30 0.47 0.98 0.00 0.00 173.24 175.23 3is4 n ASP 256 N -2.67 3.13 0.00 7.02 8.00 -0.30 -4.92 116.55 126.81 3is4 n ASP 256 Ca 0.11 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.62 3is4 n ASP 256 Cb 0.60 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3is4 n ASP 256 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3is4 n GLY 257 N 1.38 0.66 2.98 0.44 0.00 -1.20 -4.01 105.19 105.44 3is4 n GLY 257 Ca 0.16 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 3is4 n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3is4 s ILE 258 N -2.00 0.45 -0.19 -0.61 -1.09 -0.64 -1.46 121.20 115.65 3is4 s ILE 258 Ca 0.00 -0.37 -0.03 0.00 -2.23 0.00 0.00 60.65 58.02 3is4 s ILE 258 Cb 0.00 -0.41 -0.01 0.00 -1.58 0.00 0.00 42.46 40.46 3is4 s ILE 258 CO 0.00 0.05 -0.06 -0.32 -1.23 0.00 0.00 174.94 173.38 3is4 s MET 259 N -0.35 3.44 -0.57 2.79 -2.45 -0.08 -0.51 119.30 121.57 3is4 s MET 259 Ca 0.00 -0.61 -0.24 0.00 -1.25 0.00 0.00 55.69 53.59 3is4 s MET 259 Cb -0.03 -2.93 0.05 0.00 1.25 0.00 0.00 34.83 33.17 3is4 s MET 259 CO -0.00 -0.03 0.94 0.08 1.05 0.00 0.00 175.02 177.06 3is4 s VAL 260 N 1.04 4.38 -1.14 10.11 1.01 0.41 -1.23 120.40 134.98 3is4 s VAL 260 Ca 0.01 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 3is4 s VAL 260 Cb -0.15 -4.56 0.19 0.00 0.00 0.00 0.00 36.38 31.87 3is4 s VAL 260 CO -0.00 -1.16 1.31 0.00 0.00 0.00 0.00 175.10 175.25 3is4 s ALA 261 N 3.95 4.10 0.24 5.51 0.00 -1.08 -2.13 121.76 132.34 3is4 s ALA 261 Ca 0.29 -3.40 -0.05 0.00 0.00 0.00 0.00 51.96 48.79 3is4 s ALA 261 Cb -0.13 -3.98 0.41 0.00 0.00 0.00 0.00 23.12 19.42 3is4 s ALA 261 CO 0.18 -2.65 1.75 0.00 0.00 0.00 0.00 175.76 175.03 3is4 h ARG 262 N 7.25 0.48 -0.43 0.00 -0.00 -1.82 -1.54 114.38 118.32 3is4 h ARG 262 Ca 0.26 -0.03 0.02 0.00 -0.50 0.00 0.00 59.98 59.74 3is4 h ARG 262 Cb 0.90 -0.11 -0.03 0.00 0.00 0.00 0.00 29.97 30.73 3is4 h ARG 262 CO 1.16 0.32 0.25 0.78 0.00 0.00 0.00 179.97 182.47 3is4 h GLY 263 N 0.49 0.60 0.75 0.04 0.00 -1.84 -0.28 103.07 102.83 3is4 h GLY 263 Ca 0.39 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 3is4 h GLY 263 CO -0.35 0.15 -0.34 -0.55 0.00 0.00 0.00 176.54 175.45 3is4 h ASP 264 N 0.50 0.46 -0.90 0.19 3.32 -1.74 -2.71 116.42 115.54 3is4 h ASP 264 Ca 0.17 -0.62 0.16 0.00 0.02 0.00 0.00 57.03 56.77 3is4 h ASP 264 Cb 0.02 -0.14 -0.10 0.00 0.22 0.00 0.00 39.33 39.34 3is4 h ASP 264 CO -0.09 1.00 0.48 -0.07 -1.72 0.00 0.00 179.24 178.85 3is4 h LEU 265 N -0.05 0.58 -1.28 1.55 3.38 -0.86 -2.06 115.31 116.57 3is4 h LEU 265 Ca -0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3is4 h LEU 265 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3is4 h LEU 265 CO 0.07 0.22 0.00 1.23 0.09 0.00 0.00 178.44 180.05 3is4 h GLY 266 N 0.65 0.00 1.06 0.83 0.00 -0.72 -1.65 103.07 103.25 3is4 h GLY 266 Ca 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.75 3is4 h GLY 266 CO -0.38 0.00 0.10 -2.08 0.00 0.00 0.00 176.54 174.17 3is4 h VAL 267 N 0.00 1.26 0.00 4.60 2.07 -1.29 -3.34 116.25 119.56 3is4 h VAL 267 Ca 0.00 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3is4 h VAL 267 Cb 0.19 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3is4 h VAL 267 CO 0.00 0.39 -1.02 -1.84 0.02 0.00 0.00 177.57 175.12 3is4 n GLU 268 N -4.24 1.76 -4.68 1.57 0.28 -1.14 -4.91 120.64 109.29 3is4 n GLU 268 Ca 0.04 -0.05 -0.33 0.00 -0.16 0.00 0.00 57.16 56.66 3is4 n GLU 268 Cb 0.29 -1.09 -0.13 0.00 1.43 0.00 0.00 31.44 31.94 3is4 n GLU 268 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3is4 s ILE 269 N -2.31 3.32 0.35 3.84 1.01 -0.63 -5.00 121.20 121.78 3is4 s ILE 269 Ca -0.01 -0.57 -0.26 0.00 0.00 0.00 0.00 60.65 59.80 3is4 s ILE 269 Cb 0.06 -2.40 -0.13 0.00 0.01 0.00 0.00 42.46 40.00 3is4 s ILE 269 CO 0.36 0.53 1.02 -2.65 0.00 0.00 0.00 174.94 174.20 3is4 n PRO 270 N 3.33 1.42 -0.36 2.79 -0.02 -1.26 -4.25 135.00 136.64 3is4 n PRO 270 Ca -0.18 0.50 0.09 0.00 -2.02 0.00 0.00 63.50 61.89 3is4 n PRO 270 Cb 0.53 -1.96 0.26 0.00 -0.02 0.00 0.00 33.50 32.31 3is4 n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3is4 h ALA 271 N 1.85 1.55 -0.06 3.55 0.00 -1.96 -0.72 119.26 123.47 3is4 h ALA 271 Ca -0.42 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3is4 h ALA 271 Cb 1.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3is4 h ALA 271 CO 0.59 0.16 -0.27 1.05 0.00 0.00 0.00 179.25 180.78 3is4 h GLU 272 N 0.94 0.10 0.00 0.00 9.09 -2.01 -2.09 114.58 120.62 3is4 h GLU 272 Ca 0.52 -0.03 -0.18 0.00 0.05 0.00 0.00 59.36 59.72 3is4 h GLU 272 Cb 0.59 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.66 3is4 h GLU 272 CO -0.30 0.37 -0.84 0.87 0.05 0.00 0.00 179.01 179.17 3is4 h LYS 273 N 0.09 0.05 -0.64 1.06 1.57 -1.50 -3.09 116.57 114.12 3is4 h LYS 273 Ca 0.01 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3is4 h LYS 273 Cb 0.54 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3is4 h LYS 273 CO 0.04 0.86 0.14 0.28 -0.57 0.00 0.00 179.45 180.20 3is4 h VAL 274 N 0.03 1.25 -0.62 0.50 2.07 -0.88 0.11 116.25 118.71 3is4 h VAL 274 Ca -0.02 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.61 3is4 h VAL 274 Cb 1.48 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 3is4 h VAL 274 CO 0.12 0.36 0.34 0.58 0.02 0.00 0.00 177.57 178.98 3is4 h VAL 275 N 0.96 0.96 -0.23 2.57 2.07 -1.38 0.73 116.25 121.94 3is4 h VAL 275 Ca 0.20 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 3is4 h VAL 275 Cb 0.37 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3is4 h VAL 275 CO 0.00 0.12 -0.31 0.58 0.02 0.00 0.00 177.57 177.98 3is4 h VAL 276 N 0.63 1.32 -1.01 2.57 2.07 -1.43 -2.65 116.25 117.76 3is4 h VAL 276 Ca 0.28 -1.50 0.15 0.00 0.82 0.00 0.00 66.70 66.45 3is4 h VAL 276 Cb 0.17 1.73 -0.09 0.00 -1.52 0.00 0.00 31.29 31.58 3is4 h VAL 276 CO -0.18 0.47 0.63 0.00 0.02 0.00 0.00 177.57 178.51 3is4 h ALA 277 N 0.65 1.58 -0.47 1.67 0.00 -0.44 -0.49 119.26 121.76 3is4 h ALA 277 Ca 0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3is4 h ALA 277 Cb 0.88 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3is4 h ALA 277 CO 0.07 0.12 0.31 0.37 0.00 0.00 0.00 179.25 180.12 3is4 h GLN 278 N 0.91 0.61 -0.41 0.00 4.15 -0.69 -0.87 115.11 118.80 3is4 h GLN 278 Ca 0.53 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.94 3is4 h GLN 278 Cb 0.65 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 3is4 h GLN 278 CO -0.31 0.41 0.22 0.87 -1.93 0.00 0.00 178.83 178.09 3is4 h LYS 279 N 0.63 0.44 0.05 1.69 1.57 -0.79 -1.94 116.57 118.22 3is4 h LYS 279 Ca 0.17 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3is4 h LYS 279 Cb -0.07 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3is4 h LYS 279 CO -0.04 0.29 -0.02 0.82 -0.57 0.00 0.00 179.45 179.93 3is4 h ILE 280 N 0.45 1.07 -0.70 1.86 2.04 -0.89 -2.29 117.51 119.05 3is4 h ILE 280 Ca 0.17 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3is4 h ILE 280 Cb 0.05 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3is4 h ILE 280 CO -0.10 0.09 0.25 -0.07 0.00 0.00 0.00 178.15 178.32 3is4 h LEU 281 N -0.22 0.99 0.02 1.44 4.07 -1.11 -0.53 115.31 119.96 3is4 h LEU 281 Ca -0.01 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 57.76 3is4 h LEU 281 Cb 0.20 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.68 3is4 h LEU 281 CO 0.01 0.91 -0.01 0.40 -1.08 0.00 0.00 178.44 178.67 3is4 h ILE 282 N 1.01 1.18 -0.54 1.22 2.04 -1.35 -1.96 117.51 119.10 3is4 h ILE 282 Ca 0.23 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.52 3is4 h ILE 282 Cb 0.25 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 3is4 h ILE 282 CO -0.01 0.16 0.30 0.28 0.00 0.00 0.00 178.15 178.87 3is4 h SER 283 N -0.29 0.45 -0.88 1.72 0.02 -1.23 0.16 113.55 113.50 3is4 h SER 283 Ca -0.00 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3is4 h SER 283 Cb 0.28 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 3is4 h SER 283 CO 0.00 0.31 0.55 0.11 -1.14 0.00 0.00 176.83 176.67 3is4 h LYS 284 N 0.58 0.98 -0.36 3.45 1.57 -1.06 -0.52 116.57 121.22 3is4 h LYS 284 Ca 0.23 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.80 3is4 h LYS 284 Cb 0.10 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3is4 h LYS 284 CO -0.14 0.65 -0.39 0.00 -0.57 0.00 0.00 179.45 179.00 3is4 h ASN 286 N 0.72 0.61 -0.29 0.00 -0.26 -0.20 -0.19 115.58 115.97 3is4 h ASN 286 Ca 0.06 0.03 -0.14 0.00 -0.56 0.00 0.00 56.30 55.69 3is4 h ASN 286 Cb 0.97 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 38.14 3is4 h ASN 286 CO 0.09 0.38 -0.35 0.58 -1.06 0.00 0.00 177.43 177.08 3is4 h VAL 287 N 0.74 1.30 0.00 2.81 2.07 -0.97 -2.84 116.25 119.36 3is4 h VAL 287 Ca 0.33 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.32 3is4 h VAL 287 Cb 0.22 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3is4 h VAL 287 CO -0.20 0.49 0.00 0.00 0.02 0.00 0.00 177.57 177.89 3is4 h ALA 288 N 0.70 1.00 -2.59 1.67 0.00 -0.70 -3.46 119.26 115.87 3is4 h ALA 288 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 3is4 h ALA 288 Cb 0.94 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.75 3is4 h ALA 288 CO 0.08 0.00 -0.34 0.41 0.00 0.00 0.00 179.25 179.41 3is4 n GLY 289 N -0.69 -0.02 3.25 0.00 0.00 -0.17 -5.04 105.19 102.53 3is4 n GLY 289 Ca -0.01 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 3is4 n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3is4 s LYS 290 N -5.10 1.75 0.39 1.61 1.02 -0.70 -4.80 119.74 113.90 3is4 s LYS 290 Ca 0.15 -0.83 -0.27 0.00 0.02 0.00 0.00 55.97 55.04 3is4 s LYS 290 Cb -0.06 -1.72 -0.11 0.00 -0.52 0.00 0.00 37.83 35.41 3is4 s LYS 290 CO 0.18 0.47 1.28 -2.30 -0.92 0.00 0.00 175.35 174.06 3is4 n PRO 291 N 2.40 2.04 -4.34 -1.68 -0.02 -1.26 -4.41 135.00 127.72 3is4 n PRO 291 Ca -0.16 0.72 -0.21 0.00 -2.02 0.00 0.00 63.50 61.84 3is4 n PRO 291 Cb 0.52 -2.37 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 3is4 n PRO 291 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3is4 s VAL 292 N -1.15 0.74 -0.13 -1.45 0.11 -1.26 -1.62 120.40 115.63 3is4 s VAL 292 Ca 0.58 -0.30 -0.00 0.00 -2.93 0.00 0.00 61.98 59.33 3is4 s VAL 292 Cb -0.53 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 33.62 3is4 s VAL 292 CO 0.60 0.25 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.86 3is4 s ILE 293 N 0.43 3.06 -0.30 7.04 1.01 0.33 -1.69 121.20 131.09 3is4 s ILE 293 Ca -0.07 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.75 3is4 s ILE 293 Cb -0.11 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 3is4 s ILE 293 CO 0.01 0.52 0.49 0.00 0.00 0.00 0.00 174.94 175.96 3is4 s ALA 295 N 2.31 1.08 0.26 0.00 0.00 -0.91 -1.18 121.76 123.32 3is4 s ALA 295 Ca 0.19 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3is4 s ALA 295 Cb -0.16 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.26 3is4 s ALA 295 CO 0.11 -0.27 0.00 0.25 0.00 0.00 0.00 175.76 175.85 3is4 n THR 296 N -0.10 -2.63 -3.94 0.00 -2.24 -1.26 -2.90 114.28 101.21 3is4 n THR 296 Ca -0.10 1.03 -0.29 0.00 -2.27 0.00 0.00 64.05 62.42 3is4 n THR 296 Cb 0.62 -1.47 -0.01 0.00 -2.10 0.00 0.00 70.33 67.37 3is4 n THR 296 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3is4 n GLN 297 N -1.22 -2.32 -0.06 -0.78 6.02 -1.26 -4.70 117.38 113.06 3is4 n GLN 297 Ca 0.00 0.35 -0.04 0.00 -0.01 0.00 0.00 57.00 57.30 3is4 n GLN 297 Cb 0.06 -4.16 -0.01 0.00 1.02 0.00 0.00 30.24 27.14 3is4 n GLN 297 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3is4 n MET 298 N -4.43 0.37 -2.54 -1.09 2.81 -1.26 -4.69 117.12 106.29 3is4 n MET 298 Ca -0.25 0.41 -0.15 0.00 -1.81 0.00 0.00 57.70 55.89 3is4 n MET 298 Cb 0.66 -1.44 0.02 0.00 -0.71 0.00 0.00 33.22 31.74 3is4 n MET 298 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3is4 n LEU 299 N -4.12 3.04 -0.35 4.03 4.77 -1.26 -4.68 117.00 118.43 3is4 n LEU 299 Ca -0.07 -4.23 0.08 0.00 -0.03 0.00 0.00 56.01 51.77 3is4 n LEU 299 Cb 0.25 0.04 0.25 0.00 -2.33 0.00 0.00 43.42 41.63 3is4 n LEU 299 CO 0.10 1.77 1.20 -0.08 -1.33 0.00 0.00 177.39 179.05 3is4 h GLU 300 N 2.67 0.86 0.00 3.23 4.81 -1.98 -0.20 114.58 123.98 3is4 h GLU 300 Ca 0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3is4 h GLU 300 Cb 1.17 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3is4 h GLU 300 CO 0.59 0.57 0.00 0.66 -0.73 0.00 0.00 179.01 180.10 3is4 h SER 301 N 0.88 0.00 -0.03 1.04 4.64 -1.93 -1.25 113.55 116.89 3is4 h SER 301 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3is4 h SER 301 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3is4 h SER 301 CO -0.30 0.00 0.00 0.80 -0.87 0.00 0.00 176.83 176.46 3is4 n MET 302 N -2.56 1.14 -0.23 4.77 0.00 -0.08 -1.88 117.12 118.27 3is4 n MET 302 Ca 0.00 -0.21 -0.07 0.00 -0.00 0.00 0.00 57.70 57.43 3is4 n MET 302 Cb 0.20 -1.29 0.04 0.00 0.00 0.00 0.00 33.22 32.17 3is4 n MET 302 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 3is4 h THR 303 N 0.41 1.23 0.00 1.12 2.02 -1.36 -3.37 112.91 112.95 3is4 h THR 303 Ca 0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 3is4 h THR 303 Cb 0.09 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3is4 h THR 303 CO 0.00 0.27 0.00 -1.22 0.37 0.00 0.00 175.52 174.94 3is4 n TYR 304 N -4.46 0.00 -4.12 3.16 4.01 -1.22 -0.42 117.16 114.11 3is4 n TYR 304 Ca 0.05 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.46 3is4 n TYR 304 Cb 0.14 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.10 3is4 n TYR 304 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3is4 s ASN 305 N -0.71 5.58 0.30 7.72 0.02 -0.79 -4.96 114.94 122.10 3is4 s ASN 305 Ca 0.00 0.10 0.25 0.00 -1.02 0.00 0.00 52.86 52.19 3is4 s ASN 305 Cb 0.00 -1.57 1.07 0.00 0.02 0.00 0.00 41.25 40.77 3is4 s ASN 305 CO 0.00 0.26 1.74 1.55 0.02 0.00 0.00 177.10 180.67 3is4 h PRO 306 N 4.00 0.00 -4.29 -0.60 0.13 -1.87 -3.39 132.00 125.99 3is4 h PRO 306 Ca -0.49 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.44 3is4 h PRO 306 Cb 1.18 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.11 3is4 h PRO 306 CO 0.62 0.00 -0.71 1.03 -0.23 0.00 0.00 178.00 178.72 3is4 s ARG 307 N -3.40 0.49 0.68 0.86 0.52 -1.26 -4.99 118.95 111.85 3is4 s ARG 307 Ca 0.03 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.38 3is4 s ARG 307 Cb 0.09 -0.04 0.10 0.00 0.52 0.00 0.00 34.95 35.62 3is4 s ARG 307 CO 0.38 -0.02 0.95 -1.25 0.02 0.00 0.00 175.30 175.37 3is4 s PRO 308 N -2.19 1.94 0.64 3.54 0.04 -1.26 -4.46 135.00 133.25 3is4 s PRO 308 Ca -0.07 -0.88 -0.13 0.00 0.04 0.00 0.00 61.00 59.96 3is4 s PRO 308 Cb -0.05 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 3is4 s PRO 308 CO -0.03 -1.26 1.05 0.95 0.04 0.00 0.00 177.00 177.76 3is4 s THR 309 N -3.08 4.09 0.31 1.26 -4.23 -1.26 -4.95 115.64 107.79 3is4 s THR 309 Ca 0.63 0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 61.93 3is4 s THR 309 Cb -0.07 -3.48 0.26 0.00 1.34 0.00 0.00 72.50 70.55 3is4 s THR 309 CO 0.43 -0.77 1.98 -0.09 -0.54 0.00 0.00 174.62 175.63 3is4 h ARG 310 N -0.18 1.01 -0.23 3.99 2.43 -2.00 -2.30 114.38 117.09 3is4 h ARG 310 Ca -0.45 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.55 3is4 h ARG 310 Cb 1.21 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3is4 h ARG 310 CO 0.58 0.67 -0.33 0.00 -1.51 0.00 0.00 179.97 179.37 3is4 h ALA 311 N 1.52 0.99 -0.89 2.80 0.00 -2.00 -2.41 119.26 119.27 3is4 h ALA 311 Ca 0.28 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3is4 h ALA 311 Cb -0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3is4 h ALA 311 CO -0.06 0.60 0.51 0.93 0.00 0.00 0.00 179.25 181.23 3is4 h GLU 312 N 0.42 1.23 -0.33 0.00 5.08 -1.75 -1.37 114.58 117.86 3is4 h GLU 312 Ca 0.05 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3is4 h GLU 312 Cb 0.79 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3is4 h GLU 312 CO 0.06 0.88 0.13 0.28 -1.00 0.00 0.00 179.01 179.37 3is4 h VAL 313 N 1.24 1.18 -0.46 3.13 2.07 -1.07 -2.47 116.25 119.86 3is4 h VAL 313 Ca 0.32 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 3is4 h VAL 313 Cb -0.01 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3is4 h VAL 313 CO -0.05 0.20 0.06 0.77 0.02 0.00 0.00 177.57 178.56 3is4 h SER 314 N 0.38 0.68 -0.13 0.57 4.64 -1.26 -1.62 113.55 116.81 3is4 h SER 314 Ca 0.11 -0.13 0.04 0.00 -0.47 0.00 0.00 61.79 61.34 3is4 h SER 314 Cb 0.18 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 3is4 h SER 314 CO -0.01 0.71 -0.11 -0.78 -0.87 0.00 0.00 176.83 175.77 3is4 h ASP 315 N 0.69 -0.34 0.14 4.97 3.58 -1.05 0.31 116.42 124.71 3is4 h ASP 315 Ca 0.15 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 3is4 h ASP 315 Cb 0.33 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.56 3is4 h ASP 315 CO 0.01 -0.15 -0.07 0.58 -2.88 0.00 0.00 179.24 176.73 3is4 h VAL 316 N -0.12 0.90 -0.87 2.25 2.07 -1.05 -1.68 116.25 117.75 3is4 h VAL 316 Ca 0.08 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.54 3is4 h VAL 316 Cb 0.25 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 3is4 h VAL 316 CO -0.20 0.04 0.52 0.00 0.02 0.00 0.00 177.57 177.94 3is4 h ALA 317 N 0.60 1.24 0.00 1.67 0.00 -1.15 -2.06 119.26 119.56 3is4 h ALA 317 Ca -0.02 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3is4 h ALA 317 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3is4 h ALA 317 CO 0.03 0.18 -0.32 -0.91 0.00 0.00 0.00 179.25 178.23 3is4 h ASN 318 N 0.88 0.00 -0.44 0.00 2.35 -0.79 -0.48 115.58 117.10 3is4 h ASN 318 Ca 0.41 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.17 3is4 h ASN 318 Cb 0.33 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 3is4 h ASN 318 CO -0.23 0.32 0.27 0.00 -1.65 0.00 0.00 177.43 176.14 3is4 h ALA 319 N 1.68 0.56 -0.32 -0.83 0.00 -0.60 0.16 119.26 119.91 3is4 h ALA 319 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3is4 h ALA 319 Cb 0.94 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3is4 h ALA 319 CO 0.04 -0.03 0.08 0.28 0.00 0.00 0.00 179.25 179.62 3is4 h VAL 320 N 0.55 1.22 -0.56 0.00 2.07 -1.12 -1.98 116.25 116.44 3is4 h VAL 320 Ca 0.17 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 3is4 h VAL 320 Cb -0.02 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3is4 h VAL 320 CO -0.06 0.24 0.23 -0.26 0.02 0.00 0.00 177.57 177.74 3is4 h PHE 321 N 0.35 0.80 -0.30 1.57 0.04 -0.88 -1.61 116.94 116.91 3is4 h PHE 321 Ca 0.10 -0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.88 3is4 h PHE 321 Cb 0.29 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3is4 h PHE 321 CO 0.01 0.61 0.20 -0.91 -0.60 0.00 0.00 178.31 177.63 3is4 h ASN 322 N 0.79 0.16 0.00 2.17 -0.26 -0.56 -3.46 115.58 114.41 3is4 h ASN 322 Ca 0.19 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 3is4 h ASN 322 Cb 0.14 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3is4 h ASN 322 CO -0.02 0.11 0.00 0.61 -1.06 0.00 0.00 177.43 177.07 3is4 n GLY 323 N -1.54 1.57 3.74 2.83 0.00 -0.60 -4.54 105.19 106.64 3is4 n GLY 323 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3is4 n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3is4 n ALA 324 N -0.42 2.33 -0.08 4.61 0.00 -0.76 -4.90 120.51 121.29 3is4 n ALA 324 Ca 0.00 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.66 3is4 n ALA 324 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 16.98 3is4 n ALA 324 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3is4 h ASP 325 N 4.22 0.95 -4.38 0.00 5.19 -1.65 -3.45 116.42 117.30 3is4 h ASP 325 Ca -0.48 -0.53 -0.35 0.00 -0.62 0.00 0.00 57.03 55.05 3is4 h ASP 325 Cb 1.24 -0.27 -0.24 0.00 0.18 0.00 0.00 39.33 40.23 3is4 h ASP 325 CO 0.75 1.30 -0.76 0.00 -3.12 0.00 0.00 179.24 177.40 3is4 s VAL 327 N -0.86 2.68 -0.04 0.00 -7.23 -0.38 -0.98 120.40 113.59 3is4 s VAL 327 Ca -0.03 -1.15 0.06 0.00 -1.81 0.00 0.00 61.98 59.05 3is4 s VAL 327 Cb -0.07 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 3is4 s VAL 327 CO 0.01 0.39 -0.21 -0.32 -0.31 0.00 0.00 175.10 174.66 3is4 s MET 328 N -1.27 1.95 -0.12 4.82 1.75 -0.32 -1.60 119.30 124.51 3is4 s MET 328 Ca 0.14 -0.74 -0.04 0.00 -1.25 0.00 0.00 55.69 53.80 3is4 s MET 328 Cb -0.10 -1.74 -0.04 0.00 2.84 0.00 0.00 34.83 35.79 3is4 s MET 328 CO 0.04 0.35 0.03 -0.51 -0.65 0.00 0.00 175.02 174.28 3is4 s LEU 329 N -0.21 3.71 0.00 4.11 1.43 -0.06 -4.36 118.68 123.30 3is4 s LEU 329 Ca 0.01 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3is4 s LEU 329 Cb -0.11 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3is4 s LEU 329 CO 0.01 0.31 0.00 -1.20 0.23 0.00 0.00 176.35 175.70 3is4 n SER 330 N 2.64 0.00 0.25 2.29 7.64 -1.26 -1.72 113.62 123.46 3is4 n SER 330 Ca -0.18 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.79 3is4 n SER 330 Cb 0.53 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 64.40 3is4 n SER 330 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3is4 h GLY 331 N 0.00 0.00 0.99 0.23 0.00 -1.97 -1.55 103.07 100.77 3is4 h GLY 331 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 3is4 h GLY 331 CO 0.00 0.00 0.40 0.83 0.00 0.00 0.00 176.54 177.77 3is4 h GLU 332 N 0.00 0.32 0.00 4.80 3.07 -1.89 -1.79 114.58 119.09 3is4 h GLU 332 Ca 0.01 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.75 3is4 h GLU 332 Cb 0.04 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 3is4 h GLU 332 CO -0.00 0.21 -1.76 0.25 -1.40 0.00 0.00 179.01 176.32 3is4 n THR 333 N -4.46 0.37 -0.03 1.13 -2.24 -1.03 -3.83 114.28 104.19 3is4 n THR 333 Ca 0.10 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.32 3is4 n THR 333 Cb 0.43 -0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 68.40 3is4 n THR 333 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3is4 h ALA 334 N 1.03 0.09 0.00 6.98 0.00 -0.95 -3.39 119.26 123.03 3is4 h ALA 334 Ca -0.15 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3is4 h ALA 334 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3is4 h ALA 334 CO 0.01 0.00 -0.31 0.36 0.00 0.00 0.00 179.25 179.31 3is4 n LYS 335 N -4.61 0.41 -1.91 0.00 2.85 -0.73 -2.36 118.16 111.81 3is4 n LYS 335 Ca -0.08 -1.32 -0.30 0.00 -1.05 0.00 0.00 58.31 55.56 3is4 n LYS 335 Cb 0.39 -0.75 0.05 0.00 -0.65 0.00 0.00 35.03 34.07 3is4 n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3is4 s GLY 336 N -1.31 1.62 0.23 2.58 0.00 -0.84 -4.90 107.32 104.71 3is4 s GLY 336 Ca 0.07 -0.38 0.23 0.00 0.00 0.00 0.00 44.72 44.64 3is4 s GLY 336 CO 0.01 -0.01 1.16 1.70 0.00 0.00 0.00 173.10 175.96 3is4 h LYS 337 N -0.66 0.00 -1.64 2.90 3.64 -1.00 -3.40 116.57 116.41 3is4 h LYS 337 Ca -0.45 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.41 3is4 h LYS 337 Cb 1.26 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.67 3is4 h LYS 337 CO 0.64 0.00 -0.88 0.66 -2.27 0.00 0.00 179.45 177.59 3is4 n TYR 338 N -2.67 2.59 -0.36 1.91 4.01 -1.26 -4.94 117.16 116.44 3is4 n TYR 338 Ca 0.01 -3.34 0.00 0.00 -0.16 0.00 0.00 57.90 54.41 3is4 n TYR 338 Cb 0.53 -0.29 0.14 0.00 -0.31 0.00 0.00 39.34 39.41 3is4 n TYR 338 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3is4 h PRO 339 N 2.83 1.17 -0.27 -0.72 0.13 -1.77 -0.93 132.00 132.43 3is4 h PRO 339 Ca 0.14 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 65.09 3is4 h PRO 339 Cb 0.89 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 3is4 h PRO 339 CO 0.71 0.77 -0.23 -0.91 -0.23 0.00 0.00 178.00 178.11 3is4 h ASN 340 N 1.20 0.68 -0.33 1.44 2.35 -1.92 -3.01 115.58 116.00 3is4 h ASN 340 Ca 0.39 -0.46 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 3is4 h ASN 340 Cb 0.02 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3is4 h ASN 340 CO -0.13 1.00 -0.21 -0.33 -1.65 0.00 0.00 177.43 176.11 3is4 h GLU 341 N 0.38 0.81 -0.53 0.81 3.07 -1.86 -1.33 114.58 115.93 3is4 h GLU 341 Ca 0.05 -0.33 -0.10 0.00 -0.50 0.00 0.00 59.36 58.48 3is4 h GLU 341 Cb 0.79 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.64 3is4 h GLU 341 CO 0.06 0.95 -0.07 -0.24 -1.40 0.00 0.00 179.01 178.31 3is4 h VAL 342 N 0.71 1.27 -0.25 3.13 3.04 -1.24 -0.58 116.25 122.33 3is4 h VAL 342 Ca 0.10 -1.21 -0.03 0.00 -1.01 0.00 0.00 66.70 64.55 3is4 h VAL 342 Cb 0.73 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 3is4 h VAL 342 CO 0.06 0.43 0.03 0.58 -1.01 0.00 0.00 177.57 177.65 3is4 h VAL 343 N 0.86 1.24 -0.90 1.51 2.07 -1.39 -0.44 116.25 119.20 3is4 h VAL 343 Ca 0.14 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3is4 h VAL 343 Cb 0.62 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 3is4 h VAL 343 CO 0.04 0.26 0.58 1.56 0.02 0.00 0.00 177.57 180.04 3is4 h GLN 344 N 0.22 1.12 -0.16 1.57 4.20 -1.17 0.01 115.11 120.89 3is4 h GLN 344 Ca 0.07 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3is4 h GLN 344 Cb 0.36 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3is4 h GLN 344 CO 0.01 0.74 -0.42 -0.92 -0.67 0.00 0.00 178.83 177.57 3is4 h TYR 345 N 1.15 0.73 -0.66 2.96 3.20 -1.02 -1.79 116.97 121.56 3is4 h TYR 345 Ca 0.35 -0.28 0.12 0.00 3.14 0.00 0.00 58.73 62.06 3is4 h TYR 345 Cb -0.04 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.01 3is4 h TYR 345 CO -0.01 1.04 0.20 1.98 -1.64 0.00 0.00 178.16 179.73 3is4 h MET 346 N 0.22 0.33 -0.92 1.82 4.05 -0.84 -0.12 114.93 119.47 3is4 h MET 346 Ca -0.01 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3is4 h MET 346 Cb 1.03 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.71 3is4 h MET 346 CO 0.09 0.22 0.59 0.00 0.23 0.00 0.00 176.91 178.05 3is4 h ALA 347 N 1.50 1.17 -0.47 0.39 0.00 -0.86 -1.67 119.26 119.32 3is4 h ALA 347 Ca 0.35 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 3is4 h ALA 347 Cb 0.52 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3is4 h ALA 347 CO -0.39 0.59 -0.23 -0.09 0.00 0.00 0.00 179.25 179.12 3is4 h ARG 348 N 1.26 0.99 -0.32 0.00 2.43 -0.40 -1.22 114.38 117.12 3is4 h ARG 348 Ca 0.34 -0.43 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3is4 h ARG 348 Cb -0.12 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3is4 h ARG 348 CO -0.07 1.11 0.06 0.82 -1.51 0.00 0.00 179.97 180.38 3is4 h ILE 349 N 0.85 1.23 -0.43 1.20 2.04 -0.90 -1.61 117.51 119.89 3is4 h ILE 349 Ca 0.11 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.18 3is4 h ILE 349 Cb 0.82 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3is4 h ILE 349 CO 0.07 0.27 0.26 0.00 0.00 0.00 0.00 178.15 178.75 3is4 h LEU 351 N 0.52 0.70 -0.10 0.00 5.85 -1.19 -1.25 115.31 119.86 3is4 h LEU 351 Ca 0.17 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3is4 h LEU 351 Cb 0.00 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3is4 h LEU 351 CO -0.07 0.68 0.02 -0.08 -0.34 0.00 0.00 178.44 178.65 3is4 h GLU 352 N 0.68 0.06 -0.46 1.25 4.57 -1.01 -2.30 114.58 117.37 3is4 h GLU 352 Ca 0.17 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 3is4 h GLU 352 Cb 0.20 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 3is4 h GLU 352 CO -0.01 0.04 0.30 0.00 -1.18 0.00 0.00 179.01 178.16 3is4 h ALA 353 N 1.07 0.59 -0.92 2.92 0.00 -0.88 -2.57 119.26 119.46 3is4 h ALA 353 Ca 0.04 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3is4 h ALA 353 Cb 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3is4 h ALA 353 CO -0.06 0.03 0.60 0.37 0.00 0.00 0.00 179.25 180.19 3is4 h GLN 354 N 0.62 1.03 0.00 0.00 4.15 -1.13 0.03 115.11 119.80 3is4 h GLN 354 Ca 0.17 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3is4 h GLN 354 Cb -0.06 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.40 3is4 h GLN 354 CO -0.04 0.68 0.00 0.77 -1.93 0.00 0.00 178.83 178.31 3is4 h SER 355 N 1.06 0.00 0.00 -0.69 0.02 -1.00 -2.04 113.55 110.90 3is4 h SER 355 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3is4 h SER 355 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3is4 h SER 355 CO -0.15 0.00 -1.17 0.00 -1.14 0.00 0.00 176.83 174.37 3is4 n ALA 356 N -1.98 3.77 -2.71 3.77 0.00 -0.15 -4.96 120.51 118.26 3is4 n ALA 356 Ca -0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 3is4 n ALA 356 Cb 0.18 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 3is4 n ALA 356 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3is4 s LEU 357 N -3.32 4.34 -0.61 0.00 0.20 -0.35 -4.82 118.68 114.11 3is4 s LEU 357 Ca 0.02 1.55 -0.23 0.00 0.69 0.00 0.00 54.13 56.16 3is4 s LEU 357 Cb 0.13 -3.48 0.06 0.00 -0.43 0.00 0.00 46.19 42.46 3is4 s LEU 357 CO 0.74 -0.27 0.95 0.21 -0.29 0.00 0.00 176.35 177.69 3is4 s ASN 358 N 1.00 6.23 0.39 3.68 3.84 -1.26 -4.90 114.94 123.92 3is4 s ASN 358 Ca 0.49 -0.74 0.10 0.00 0.21 0.00 0.00 52.86 52.92 3is4 s ASN 358 Cb -0.20 -2.42 0.81 0.00 -0.55 0.00 0.00 41.25 38.88 3is4 s ASN 358 CO 0.25 -1.35 1.92 -0.33 -2.79 0.00 0.00 177.10 174.80 3is4 h GLU 359 N 9.46 0.21 -0.55 0.43 3.07 -1.93 -2.97 114.58 122.31 3is4 h GLU 359 Ca -0.28 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.56 3is4 h GLU 359 Cb 1.07 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.92 3is4 h GLU 359 CO 1.14 0.35 0.36 -0.92 -1.40 0.00 0.00 179.01 178.55 3is4 h TYR 360 N 0.20 0.63 -0.51 4.33 3.20 -1.91 -1.27 116.97 121.64 3is4 h TYR 360 Ca 0.04 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3is4 h TYR 360 Cb 0.37 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3is4 h TYR 360 CO 0.00 0.38 0.32 0.28 -1.64 0.00 0.00 178.16 177.50 3is4 h VAL 361 N 0.67 1.08 0.38 1.81 2.07 -1.91 0.59 116.25 120.95 3is4 h VAL 361 Ca 0.21 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3is4 h VAL 361 Cb 0.04 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3is4 h VAL 361 CO -0.05 0.12 -0.20 -0.26 0.02 0.00 0.00 177.57 177.20 3is4 h PHE 362 N 0.64 -0.51 -0.30 1.57 -1.00 -1.40 -0.97 116.94 114.97 3is4 h PHE 362 Ca 0.20 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 61.04 3is4 h PHE 362 Cb -0.02 0.17 -0.08 0.00 3.61 0.00 0.00 35.95 39.64 3is4 h PHE 362 CO -0.05 -0.31 -0.21 0.35 -1.61 0.00 0.00 178.31 176.47 3is4 h PHE 363 N -0.53 -0.56 -0.22 -0.55 3.57 -0.94 -1.46 116.94 116.25 3is4 h PHE 363 Ca -0.05 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3is4 h PHE 363 Cb 0.42 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3is4 h PHE 363 CO -0.06 -0.29 0.01 -0.97 -2.23 0.00 0.00 178.31 174.77 3is4 h ASN 364 N -0.19 0.37 -0.35 0.41 -0.00 -0.88 -0.22 115.58 114.73 3is4 h ASN 364 Ca 0.16 -0.30 0.04 0.00 -0.00 0.00 0.00 56.30 56.19 3is4 h ASN 364 Cb 0.43 -0.10 -0.04 0.00 -0.00 0.00 0.00 38.32 38.62 3is4 h ASN 364 CO -0.41 0.58 0.13 0.28 -0.00 0.00 0.00 177.43 178.01 3is4 h SER 365 N 0.15 0.16 -0.22 1.15 0.02 -0.99 -0.78 113.55 113.04 3is4 h SER 365 Ca 0.06 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 3is4 h SER 365 Cb 0.39 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3is4 h SER 365 CO 0.01 0.13 -0.09 0.40 -1.14 0.00 0.00 176.83 176.14 3is4 h ILE 366 N 0.29 1.30 -0.46 3.27 2.04 -1.23 -3.05 117.51 119.67 3is4 h ILE 366 Ca 0.16 -1.14 0.07 0.00 1.00 0.00 0.00 64.86 64.95 3is4 h ILE 366 Cb 0.11 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 3is4 h ILE 366 CO -0.15 0.35 0.11 0.50 0.00 0.00 0.00 178.15 178.96 3is4 h LYS 367 N 0.16 0.24 0.00 2.37 3.64 -0.88 -2.29 116.57 119.82 3is4 h LYS 367 Ca 0.05 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3is4 h LYS 367 Cb 0.57 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3is4 h LYS 367 CO 0.03 0.16 -0.02 0.87 -2.27 0.00 0.00 179.45 178.22 3is4 h LYS 368 N 0.25 0.00 -0.00 1.90 1.57 -1.10 -1.78 116.57 117.40 3is4 h LYS 368 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3is4 h LYS 368 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3is4 h LYS 368 CO -0.28 0.02 -0.19 1.28 -0.57 0.00 0.00 179.45 179.71 3is4 n LEU 369 N -3.60 0.24 -4.75 2.94 4.77 -0.86 -4.90 117.00 110.84 3is4 n LEU 369 Ca -0.03 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.79 3is4 n LEU 369 Cb 0.11 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 3is4 n LEU 369 CO 0.26 0.06 0.95 -1.10 -1.33 0.00 0.00 177.39 176.23 3is4 s GLN 370 N -2.92 4.42 0.08 3.23 -1.52 -0.67 -4.99 119.66 117.29 3is4 s GLN 370 Ca 0.15 2.03 -0.30 0.00 -1.95 0.00 0.00 55.36 55.29 3is4 s GLN 370 Cb 0.19 -3.18 -0.06 0.00 -0.22 0.00 0.00 33.01 29.74 3is4 s GLN 370 CO 0.58 -0.17 1.09 -1.58 -0.25 0.00 0.00 175.29 174.96 3is4 s HIS 371 N -0.27 3.58 -0.22 0.91 5.65 -1.26 -5.03 115.29 118.65 3is4 s HIS 371 Ca 0.53 1.54 -0.09 0.00 0.25 0.00 0.00 55.06 57.30 3is4 s HIS 371 Cb -0.36 -3.26 -0.04 0.00 -1.18 0.00 0.00 32.58 27.73 3is4 s HIS 371 CO 0.41 -0.61 0.10 0.42 -0.65 0.00 0.00 174.74 174.41 3is4 s ILE 372 N 0.56 4.90 0.40 0.89 1.01 -1.26 -2.97 121.20 124.74 3is4 s ILE 372 Ca 0.53 0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.96 3is4 s ILE 372 Cb -0.27 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 3is4 s ILE 372 CO 0.31 0.39 1.02 -2.16 0.00 0.00 0.00 174.94 174.50 3is4 s PRO 373 N 0.89 4.22 0.36 2.79 0.04 -1.26 -5.19 135.00 136.85 3is4 s PRO 373 Ca 0.05 1.43 -0.06 0.00 0.04 0.00 0.00 61.00 62.46 3is4 s PRO 373 Cb -0.13 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 3is4 s PRO 373 CO 0.03 -0.08 0.66 -1.64 0.04 0.00 0.00 177.00 176.01 3is4 s MET 374 N -2.55 3.66 0.72 4.56 -1.94 -1.16 -5.10 119.30 117.50 3is4 s MET 374 Ca 0.58 0.17 -0.11 0.00 -1.71 0.00 0.00 55.69 54.61 3is4 s MET 374 Cb -0.20 -2.52 0.02 0.00 2.01 0.00 0.00 34.83 34.15 3is4 s MET 374 CO 0.25 0.06 1.08 -1.54 -0.01 0.00 0.00 175.02 174.86 3is4 s SER 375 N -3.36 5.21 0.19 3.03 1.04 -1.26 -4.86 113.70 113.68 3is4 s SER 375 Ca 0.47 1.37 -0.12 0.00 0.48 0.00 0.00 55.95 58.15 3is4 s SER 375 Cb -0.10 -2.20 0.19 0.00 0.10 0.00 0.00 66.02 64.00 3is4 s SER 375 CO 0.33 -1.52 1.76 0.00 0.98 0.00 0.00 173.24 174.79 3is4 h ALA 376 N -0.78 0.67 -0.23 5.32 0.00 -1.99 -1.28 119.26 120.98 3is4 h ALA 376 Ca -0.45 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3is4 h ALA 376 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3is4 h ALA 376 CO 0.60 -0.17 0.14 0.38 0.00 0.00 0.00 179.25 180.20 3is4 h ASP 377 N 0.41 0.27 -0.48 0.00 -0.00 -1.94 0.21 116.42 114.89 3is4 h ASP 377 Ca 0.25 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.03 57.23 3is4 h ASP 377 Cb 0.25 -0.07 -0.02 0.00 -0.00 0.00 0.00 39.33 39.49 3is4 h ASP 377 CO -0.23 0.23 0.24 -0.08 -0.00 0.00 0.00 179.24 179.40 3is4 h GLU 378 N 0.29 0.69 -0.48 4.15 4.57 -1.85 -1.66 114.58 120.28 3is4 h GLU 378 Ca 0.08 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 3is4 h GLU 378 Cb 0.01 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 3is4 h GLU 378 CO -0.02 0.57 0.11 0.00 -1.18 0.00 0.00 179.01 178.49 3is4 h ALA 379 N 1.08 0.63 -0.47 2.92 0.00 -1.04 -1.74 119.26 120.64 3is4 h ALA 379 Ca 0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3is4 h ALA 379 Cb 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3is4 h ALA 379 CO -0.02 0.33 0.10 0.28 0.00 0.00 0.00 179.25 179.93 3is4 h VAL 380 N 0.65 1.24 -0.16 0.00 2.07 -0.82 -1.54 116.25 117.70 3is4 h VAL 380 Ca 0.15 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 3is4 h VAL 380 Cb 0.34 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3is4 h VAL 380 CO 0.00 0.31 -0.29 0.00 0.02 0.00 0.00 177.57 177.61 3is4 h SER 382 N 0.13 1.05 -0.49 0.00 4.64 -1.37 -2.53 113.55 114.98 3is4 h SER 382 Ca 0.01 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.08 3is4 h SER 382 Cb 0.88 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 3is4 h SER 382 CO 0.07 0.92 -0.05 0.28 -0.87 0.00 0.00 176.83 177.18 3is4 h SER 383 N 1.12 0.93 -0.42 4.97 0.02 -1.22 0.27 113.55 119.23 3is4 h SER 383 Ca 0.26 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3is4 h SER 383 Cb 0.19 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3is4 h SER 383 CO -0.02 1.01 0.12 0.00 -1.14 0.00 0.00 176.83 176.80 3is4 h ALA 384 N 1.08 0.55 -0.55 3.77 0.00 -1.13 0.33 119.26 123.30 3is4 h ALA 384 Ca 0.15 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3is4 h ALA 384 Cb 0.58 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3is4 h ALA 384 CO 0.03 0.21 0.07 0.28 0.00 0.00 0.00 179.25 179.84 3is4 h VAL 385 N 0.54 1.26 -0.48 0.00 2.07 -1.31 -1.90 116.25 116.42 3is4 h VAL 385 Ca 0.13 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.73 3is4 h VAL 385 Cb 0.28 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3is4 h VAL 385 CO -0.00 0.36 0.17 -1.13 0.02 0.00 0.00 177.57 176.99 3is4 h ASN 386 N 0.81 0.18 -0.71 0.57 -0.73 -0.76 -2.12 115.58 112.81 3is4 h ASN 386 Ca 0.16 0.06 0.05 0.00 1.87 0.00 0.00 56.30 58.44 3is4 h ASN 386 Cb 0.43 0.04 -0.04 0.00 0.27 0.00 0.00 38.32 39.02 3is4 h ASN 386 CO 0.01 0.13 0.47 0.28 -0.37 0.00 0.00 177.43 177.95 3is4 h SER 387 N 0.35 0.69 -0.10 1.15 0.02 -0.72 -0.64 113.55 114.30 3is4 h SER 387 Ca 0.23 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 3is4 h SER 387 Cb 0.23 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3is4 h SER 387 CO -0.23 0.46 -0.10 0.58 -1.14 0.00 0.00 176.83 176.40 3is4 h VAL 388 N 0.80 0.72 -0.65 2.27 2.07 -0.68 -0.57 116.25 120.20 3is4 h VAL 388 Ca 0.29 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.77 3is4 h VAL 388 Cb 0.16 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3is4 h VAL 388 CO -0.09 0.00 0.24 1.88 0.02 0.00 0.00 177.57 179.62 3is4 h TYR 389 N -0.12 1.01 -0.30 1.57 0.05 -1.00 0.16 116.97 118.34 3is4 h TYR 389 Ca 0.07 -0.09 -0.12 0.00 0.05 0.00 0.00 58.73 58.65 3is4 h TYR 389 Cb 0.23 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3is4 h TYR 389 CO -0.21 0.81 -0.29 0.93 -1.05 0.00 0.00 178.16 178.34 3is4 h GLU 390 N 0.93 0.63 -0.03 4.88 5.08 -1.00 -3.10 114.58 121.97 3is4 h GLU 390 Ca 0.22 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3is4 h GLU 390 Cb 0.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3is4 h GLU 390 CO -0.01 0.85 -0.14 0.25 -1.00 0.00 0.00 179.01 178.96 3is4 n THR 391 N -4.09 0.00 -3.94 1.13 -2.24 -0.23 -4.97 114.28 99.94 3is4 n THR 391 Ca -0.01 -0.43 -0.26 0.00 -2.27 0.00 0.00 64.05 61.08 3is4 n THR 391 Cb 0.45 1.42 -0.02 0.00 -2.10 0.00 0.00 70.33 70.08 3is4 n THR 391 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3is4 n LYS 392 N 0.94 -3.00 -1.96 -0.78 5.02 0.42 -4.89 118.16 113.92 3is4 n LYS 392 Ca 0.13 0.39 -0.36 0.00 -2.02 0.00 0.00 58.31 56.45 3is4 n LYS 392 Cb 0.56 -4.43 0.04 0.00 -0.02 0.00 0.00 35.03 31.18 3is4 n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3is4 s ALA 393 N -3.93 2.54 -0.83 7.82 0.00 -0.41 -4.75 121.76 122.21 3is4 s ALA 393 Ca 0.05 1.07 0.18 0.00 0.00 0.00 0.00 51.96 53.26 3is4 s ALA 393 Cb -0.02 -3.48 -0.20 0.00 0.00 0.00 0.00 23.12 19.42 3is4 s ALA 393 CO 0.89 -1.24 0.76 1.63 0.00 0.00 0.00 175.76 177.80 3is4 n LYS 394 N -1.57 0.90 -3.61 0.00 4.76 -0.57 -4.79 118.16 113.27 3is4 n LYS 394 Ca 0.14 -0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.46 3is4 n LYS 394 Cb 0.49 -1.37 -0.05 0.00 -1.84 0.00 0.00 35.03 32.26 3is4 n LYS 394 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3is4 s ALA 395 N -2.77 -1.04 0.01 7.82 0.00 -1.25 -4.19 121.76 120.35 3is4 s ALA 395 Ca 0.06 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.21 3is4 s ALA 395 Cb 0.14 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 3is4 s ALA 395 CO 0.76 -0.61 -0.21 -1.64 0.00 0.00 0.00 175.76 174.05 3is4 s MET 396 N -3.48 2.09 -0.18 0.00 -1.94 -0.60 -1.53 119.30 113.67 3is4 s MET 396 Ca 0.01 -0.95 -0.00 0.00 -1.71 0.00 0.00 55.69 53.04 3is4 s MET 396 Cb 0.01 -2.14 0.01 0.00 2.01 0.00 0.00 34.83 34.72 3is4 s MET 396 CO -0.10 0.55 -0.15 0.08 -0.01 0.00 0.00 175.02 175.39 3is4 s VAL 397 N -0.79 2.50 -0.16 -6.03 1.01 0.00 -0.19 120.40 116.74 3is4 s VAL 397 Ca 0.12 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3is4 s VAL 397 Cb -0.10 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.21 3is4 s VAL 397 CO 0.02 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.74 3is4 s VAL 398 N 1.19 2.21 -0.28 2.92 1.01 0.52 -0.46 120.40 127.51 3is4 s VAL 398 Ca 0.02 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 3is4 s VAL 398 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3is4 s VAL 398 CO -0.07 0.54 0.54 -0.76 0.00 0.00 0.00 175.10 175.35 3is4 s LEU 399 N 0.97 4.09 -0.26 3.92 1.02 -0.06 -0.50 118.68 127.87 3is4 s LEU 399 Ca -0.03 0.46 -0.03 0.00 0.02 0.00 0.00 54.13 54.55 3is4 s LEU 399 Cb -0.15 -2.69 0.15 0.00 0.02 0.00 0.00 46.19 43.52 3is4 s LEU 399 CO -0.05 -0.34 0.48 -0.55 0.02 0.00 0.00 176.35 175.91 3is4 s SER 400 N 1.58 -0.50 -0.04 2.29 0.15 -0.86 -4.61 113.70 111.71 3is4 s SER 400 Ca 0.22 0.67 -0.22 0.00 0.70 0.00 0.00 55.95 57.32 3is4 s SER 400 Cb -0.15 1.61 -0.29 0.00 -1.71 0.00 0.00 66.02 65.47 3is4 s SER 400 CO 0.10 -0.27 0.94 0.78 1.20 0.00 0.00 173.24 175.99 3is4 h ASN 401 N 8.10 0.45 0.72 5.45 2.35 -1.95 -3.34 115.58 127.36 3is4 h ASN 401 Ca -0.20 -0.91 0.00 0.00 -0.55 0.00 0.00 56.30 54.64 3is4 h ASN 401 Cb 1.15 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.37 3is4 h ASN 401 CO 0.23 1.32 -0.49 0.35 -1.65 0.00 0.00 177.43 177.19 3is4 n THR 402 N -4.19 0.16 0.00 2.81 -2.24 -1.26 -4.48 114.28 105.08 3is4 n THR 402 Ca -0.13 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3is4 n THR 402 Cb 0.76 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 3is4 n THR 402 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3is4 n GLY 403 N 1.43 1.27 0.22 3.38 0.00 -1.25 -4.87 105.19 105.36 3is4 n GLY 403 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 3is4 n GLY 403 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3is4 h ARG 404 N 3.16 -0.19 -0.05 1.61 2.43 -1.92 -1.39 114.38 118.03 3is4 h ARG 404 Ca 0.00 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 3is4 h ARG 404 Cb 0.00 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3is4 h ARG 404 CO 0.00 -0.13 -0.65 0.66 -1.51 0.00 0.00 179.97 178.34 3is4 h SER 405 N -0.20 0.22 -0.59 -3.80 4.64 -1.93 -1.23 113.55 110.66 3is4 h SER 405 Ca 0.11 -0.13 0.05 0.00 -0.47 0.00 0.00 61.79 61.34 3is4 h SER 405 Cb 0.36 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 3is4 h SER 405 CO -0.28 0.80 0.33 0.00 -0.87 0.00 0.00 176.83 176.81 3is4 h ALA 406 N 1.19 0.78 -0.11 5.18 0.00 -1.84 -0.11 119.26 124.36 3is4 h ALA 406 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3is4 h ALA 406 Cb 1.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3is4 h ALA 406 CO 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 179.25 178.96 3is4 h ARG 407 N 0.62 0.24 -0.30 0.00 3.08 -0.87 -1.32 114.38 115.82 3is4 h ARG 407 Ca 0.26 -0.11 -0.17 0.00 0.07 0.00 0.00 59.98 60.03 3is4 h ARG 407 Cb 0.14 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3is4 h ARG 407 CO -0.16 0.60 -0.49 1.25 -1.07 0.00 0.00 179.97 180.10 3is4 h LEU 408 N 0.20 0.95 -0.16 3.04 5.85 -0.75 -1.58 115.31 122.87 3is4 h LEU 408 Ca 0.02 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3is4 h LEU 408 Cb 0.79 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3is4 h LEU 408 CO 0.06 1.29 0.02 0.58 -0.34 0.00 0.00 178.44 180.05 3is4 h VAL 409 N 0.65 1.23 -0.76 1.05 2.07 -0.98 -3.15 116.25 116.36 3is4 h VAL 409 Ca 0.02 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.86 3is4 h VAL 409 Cb 1.09 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 3is4 h VAL 409 CO 0.11 0.22 0.50 0.00 0.02 0.00 0.00 177.57 178.42 3is4 h ALA 410 N 0.80 1.62 -0.98 1.67 0.00 -1.21 -1.65 119.26 119.51 3is4 h ALA 410 Ca 0.05 -0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.18 3is4 h ALA 410 Cb 0.32 -0.23 -0.13 0.00 0.00 0.00 0.00 17.79 17.75 3is4 h ALA 410 CO 0.00 0.28 0.55 -0.22 0.00 0.00 0.00 179.25 179.87 3is4 h LYS 411 N 0.86 0.49 -0.01 0.00 3.64 -1.24 -1.19 116.57 119.12 3is4 h LYS 411 Ca 0.32 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3is4 h LYS 411 Cb 0.16 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3is4 h LYS 411 CO -0.10 0.32 -0.02 0.66 -2.27 0.00 0.00 179.45 178.04 3is4 n TYR 412 N -4.95 0.00 -3.38 1.91 4.01 -0.62 -4.86 117.16 109.27 3is4 n TYR 412 Ca 0.27 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.87 3is4 n TYR 412 Cb 0.77 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.78 3is4 n TYR 412 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3is4 n ARG 413 N -0.64 -1.46 -1.09 -0.72 5.12 -0.45 -3.77 116.66 113.65 3is4 n ARG 413 Ca 0.21 1.02 -0.32 0.00 -1.93 0.00 0.00 57.85 56.83 3is4 n ARG 413 Cb 0.22 -4.65 0.12 0.00 -1.16 0.00 0.00 32.46 26.99 3is4 n ARG 413 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3is4 s PRO 414 N -4.28 1.74 -0.41 5.56 0.04 -1.26 -4.55 135.00 131.84 3is4 s PRO 414 Ca 0.17 1.47 0.01 0.00 0.04 0.00 0.00 61.00 62.69 3is4 s PRO 414 Cb -0.05 -1.82 0.45 0.00 0.04 0.00 0.00 34.50 33.13 3is4 s PRO 414 CO 0.81 -2.08 1.83 0.27 0.04 0.00 0.00 177.00 177.86 3is4 n ASN 415 N -3.60 4.91 -3.99 6.66 6.94 -1.26 -4.88 115.26 120.04 3is4 n ASN 415 Ca 0.11 -3.32 -0.09 0.00 -0.02 0.00 0.00 54.58 51.26 3is4 n ASN 415 Cb 0.52 -0.86 -0.08 0.00 -2.36 0.00 0.00 39.78 37.00 3is4 n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3is4 s PRO 417 N -3.94 2.88 -0.17 0.00 0.02 -1.26 -4.82 135.00 127.71 3is4 s PRO 417 Ca 0.13 2.08 -0.05 0.00 0.02 0.00 0.00 61.00 63.18 3is4 s PRO 417 Cb 0.06 -2.03 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 3is4 s PRO 417 CO -0.05 -1.35 -0.01 0.42 -0.33 0.00 0.00 177.00 175.68 3is4 s ILE 418 N -1.39 4.08 -0.34 2.83 1.01 -0.19 -1.56 121.20 125.64 3is4 s ILE 418 Ca 0.77 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 61.06 3is4 s ILE 418 Cb -0.37 -2.81 0.04 0.00 0.01 0.00 0.00 42.46 39.32 3is4 s ILE 418 CO 0.41 0.47 0.11 -0.69 0.00 0.00 0.00 174.94 175.25 3is4 s VAL 419 N 0.53 3.89 -0.12 2.92 1.01 0.73 -0.44 120.40 128.92 3is4 s VAL 419 Ca -0.01 -1.07 -0.22 0.00 0.00 0.00 0.00 61.98 60.68 3is4 s VAL 419 Cb -0.14 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3is4 s VAL 419 CO 0.02 -0.17 0.64 0.00 0.00 0.00 0.00 175.10 175.59 3is4 s VAL 421 N 1.18 4.67 0.07 0.00 1.01 0.35 -0.00 120.40 127.66 3is4 s VAL 421 Ca 0.32 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.28 3is4 s VAL 421 Cb -0.16 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3is4 s VAL 421 CO 0.14 0.32 -0.09 0.28 0.00 0.00 0.00 175.10 175.75 3is4 s THR 422 N 1.54 0.73 -2.78 3.92 -1.32 -0.61 -2.03 115.64 115.09 3is4 s THR 422 Ca 0.06 -1.35 0.26 0.00 -1.21 0.00 0.00 61.69 59.45 3is4 s THR 422 Cb -0.15 -0.98 0.34 0.00 -1.51 0.00 0.00 72.50 70.20 3is4 s THR 422 CO 0.06 -0.46 1.47 0.35 -2.21 0.00 0.00 174.62 173.82 3is4 n THR 423 N 1.04 0.00 -4.70 5.08 -2.24 -1.26 -0.44 114.28 111.76 3is4 n THR 423 Ca -0.20 -0.39 -0.32 0.00 -2.27 0.00 0.00 64.05 60.87 3is4 n THR 423 Cb 0.56 1.07 -0.17 0.00 -2.10 0.00 0.00 70.33 69.69 3is4 n THR 423 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3is4 s ARG 424 N -2.00 2.91 0.38 -0.78 0.52 -1.26 -4.73 118.95 113.98 3is4 s ARG 424 Ca 0.32 -0.82 0.11 0.00 -0.52 0.00 0.00 55.73 54.83 3is4 s ARG 424 Cb 0.20 -2.34 0.74 0.00 0.52 0.00 0.00 34.95 34.07 3is4 s ARG 424 CO 0.31 -0.00 1.86 -0.07 0.02 0.00 0.00 175.30 177.43 3is4 h LEU 425 N 7.27 0.12 -1.25 2.53 3.38 -1.95 -2.63 115.31 122.79 3is4 h LEU 425 Ca -0.31 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 3is4 h LEU 425 Cb 1.19 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3is4 h LEU 425 CO 0.54 0.39 -0.32 -0.61 0.09 0.00 0.00 178.44 178.53 3is4 h GLN 426 N 0.11 0.00 -0.23 1.13 4.15 -1.96 -2.24 115.11 116.07 3is4 h GLN 426 Ca 0.02 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 3is4 h GLN 426 Cb 0.53 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3is4 h GLN 426 CO 0.04 0.32 -0.09 1.15 -1.93 0.00 0.00 178.83 178.31 3is4 h THR 427 N 0.00 1.30 -0.82 2.39 2.02 -1.76 0.17 112.91 116.21 3is4 h THR 427 Ca -0.00 -1.14 0.16 0.00 0.77 0.00 0.00 66.41 66.20 3is4 h THR 427 Cb 0.70 1.55 -0.10 0.00 -1.74 0.00 0.00 68.15 68.57 3is4 h THR 427 CO 0.04 0.35 0.37 0.00 0.37 0.00 0.00 175.52 176.66 3is4 h ARG 429 N 0.51 0.40 -0.09 0.00 3.08 -1.32 -3.32 114.38 113.64 3is4 h ARG 429 Ca 0.46 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 3is4 h ARG 429 Cb 0.72 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3is4 h ARG 429 CO -0.41 1.02 -0.28 1.96 -1.07 0.00 0.00 179.97 181.19 3is4 h GLN 430 N -0.10 0.16 0.00 0.04 4.20 -0.66 -2.44 115.11 116.31 3is4 h GLN 430 Ca -0.04 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3is4 h GLN 430 Cb 1.14 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3is4 h GLN 430 CO 0.09 0.44 0.00 1.28 -0.67 0.00 0.00 178.83 179.97 3is4 n LEU 431 N -4.16 0.00 0.02 1.46 4.77 -0.38 -2.85 117.00 115.87 3is4 n LEU 431 Ca -0.01 0.36 0.07 0.00 -0.03 0.00 0.00 56.01 56.39 3is4 n LEU 431 Cb 0.36 -0.36 0.29 0.00 -2.33 0.00 0.00 43.42 41.39 3is4 n LEU 431 CO 0.39 -0.19 0.71 0.59 -1.33 0.00 0.00 177.39 177.57 3is4 n ASN 432 N -1.36 0.10 -1.34 -1.43 3.02 -0.92 -1.45 115.26 111.88 3is4 n ASN 432 Ca 0.06 0.53 0.11 0.00 -0.03 0.00 0.00 54.58 55.25 3is4 n ASN 432 Cb 0.13 -0.55 0.32 0.00 -0.61 0.00 0.00 39.78 39.07 3is4 n ASN 432 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3is4 n ILE 433 N -1.62 1.04 -3.87 2.41 -5.35 -1.13 -4.79 119.36 106.06 3is4 n ILE 433 Ca 0.03 -1.01 -0.35 0.00 -0.27 0.00 0.00 62.75 61.14 3is4 n ILE 433 Cb 0.15 0.48 -0.14 0.00 -1.74 0.00 0.00 39.64 38.39 3is4 n ILE 433 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3is4 s THR 434 N -1.05 3.52 0.52 7.28 2.01 -0.53 -4.60 115.64 122.79 3is4 s THR 434 Ca 0.48 -0.56 -0.22 0.00 0.31 0.00 0.00 61.69 61.70 3is4 s THR 434 Cb 0.25 -2.67 -0.06 0.00 0.01 0.00 0.00 72.50 70.04 3is4 s THR 434 CO 0.32 0.33 1.29 0.00 -0.69 0.00 0.00 174.62 175.87 3is4 n GLN 435 N 4.81 1.67 -1.00 4.92 -0.00 -1.26 -3.66 117.38 122.86 3is4 n GLN 435 Ca -0.17 0.61 0.00 0.00 -0.00 0.00 0.00 57.00 57.44 3is4 n GLN 435 Cb 0.50 -2.48 0.00 0.00 -0.00 0.00 0.00 30.24 28.26 3is4 n GLN 435 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3is4 n GLY 436 N 0.83 0.64 3.35 2.61 0.00 0.10 -4.89 105.19 107.83 3is4 n GLY 436 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3is4 n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3is4 s VAL 437 N -2.58 2.67 -0.06 1.61 1.01 -1.24 -1.02 120.40 120.80 3is4 s VAL 437 Ca 0.00 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.21 3is4 s VAL 437 Cb 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3is4 s VAL 437 CO 0.00 0.56 -0.24 -1.61 0.00 0.00 0.00 175.10 173.81 3is4 s GLU 438 N -0.08 2.53 -0.11 2.72 2.02 0.42 -4.92 118.70 121.28 3is4 s GLU 438 Ca -0.04 -0.88 -0.04 0.00 0.02 0.00 0.00 54.97 54.03 3is4 s GLU 438 Cb -0.14 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 3is4 s GLU 438 CO 0.04 0.42 0.06 -1.12 0.02 0.00 0.00 175.26 174.68 3is4 s SER 439 N -0.25 5.72 -0.17 -0.19 0.01 -1.26 -0.57 113.70 117.00 3is4 s SER 439 Ca -0.01 0.27 -0.00 0.00 1.31 0.00 0.00 55.95 57.52 3is4 s SER 439 Cb -0.13 -1.74 -0.00 0.00 0.21 0.00 0.00 66.02 64.35 3is4 s SER 439 CO 0.03 0.38 -0.14 -0.69 0.41 0.00 0.00 173.24 173.23 3is4 s VAL 440 N -0.87 2.75 -0.08 3.43 1.01 1.00 -4.95 120.40 122.70 3is4 s VAL 440 Ca 0.13 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 3is4 s VAL 440 Cb -0.12 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 3is4 s VAL 440 CO 0.03 0.50 0.81 0.12 0.00 0.00 0.00 175.10 176.57 3is4 s PHE 441 N 0.93 3.55 -0.30 5.22 5.36 -1.26 -1.57 117.98 129.92 3is4 s PHE 441 Ca -0.03 1.37 -0.03 0.00 -0.96 0.00 0.00 56.93 57.28 3is4 s PHE 441 Cb -0.15 -2.95 0.04 0.00 -0.34 0.00 0.00 43.02 39.62 3is4 s PHE 441 CO -0.02 -0.04 0.02 0.12 -1.46 0.00 0.00 175.22 173.85 3is4 s PHE 442 N 1.26 3.23 -0.87 10.12 5.36 0.41 -4.94 117.98 132.54 3is4 s PHE 442 Ca 0.42 -1.67 -0.25 0.00 -0.96 0.00 0.00 56.93 54.46 3is4 s PHE 442 Cb -0.18 -2.14 0.03 0.00 -0.34 0.00 0.00 43.02 40.38 3is4 s PHE 442 CO 0.19 -0.76 1.47 0.34 -1.46 0.00 0.00 175.22 174.99 3is4 s ASP 443 N 1.31 6.15 0.37 6.13 -1.08 -1.26 -4.28 116.67 124.01 3is4 s ASP 443 Ca -0.03 -0.86 0.09 0.00 -0.52 0.00 0.00 52.55 51.23 3is4 s ASP 443 Cb -0.19 -2.56 0.73 0.00 -1.46 0.00 0.00 42.92 39.43 3is4 s ASP 443 CO -0.00 -1.82 1.87 0.00 0.52 0.00 0.00 175.17 175.74 3is4 h ALA 444 N 10.43 1.43 -0.33 3.66 0.00 -1.85 0.43 119.26 133.03 3is4 h ALA 444 Ca -0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3is4 h ALA 444 Cb 1.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3is4 h ALA 444 CO 1.34 0.40 -0.21 -0.44 0.00 0.00 0.00 179.25 180.33 3is4 h ASP 445 N 0.21 0.64 0.54 0.00 3.32 -1.89 -0.26 116.42 118.98 3is4 h ASP 445 Ca 0.04 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3is4 h ASP 445 Cb 0.46 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3is4 h ASP 445 CO 0.03 0.85 -1.45 1.17 -1.72 0.00 0.00 179.24 178.12 3is4 n LYS 446 N -4.13 0.62 0.00 3.56 4.81 -0.90 -4.55 118.16 117.58 3is4 n LYS 446 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 3is4 n LYS 446 Cb 0.41 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.77 3is4 n LYS 446 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3is4 n LEU 447 N -2.48 0.00 0.00 3.14 4.77 0.15 -5.07 117.00 117.51 3is4 n LEU 447 Ca -0.02 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3is4 n LEU 447 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3is4 n LEU 447 CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3is4 n GLY 448 N 1.00 1.21 0.18 -0.72 0.00 -0.11 -4.79 105.19 101.96 3is4 n GLY 448 Ca 0.00 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 44.01 3is4 n GLY 448 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3is4 h HIS 449 N 0.00 0.00 -6.53 1.61 3.86 -1.95 -3.39 115.15 108.75 3is4 h HIS 449 Ca 0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.74 3is4 h HIS 449 Cb 0.00 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.50 3is4 h HIS 449 CO 0.00 0.00 -0.93 -3.47 0.86 0.00 0.00 177.93 174.39 3is4 n ASP 450 N -2.79 -5.00 0.20 2.45 2.03 -1.26 -4.87 116.55 107.31 3is4 n ASP 450 Ca 0.05 -1.04 0.06 0.00 0.52 0.00 0.00 54.79 54.37 3is4 n ASP 450 Cb 0.49 -2.55 0.42 0.00 -0.72 0.00 0.00 41.12 38.76 3is4 n ASP 450 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3is4 h GLU 451 N -1.67 0.00 -0.00 -0.67 9.09 -2.01 -2.33 114.58 116.99 3is4 h GLU 451 Ca -0.63 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.78 3is4 h GLU 451 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 3is4 h GLU 451 CO 0.46 0.33 -0.14 0.41 0.05 0.00 0.00 179.01 180.11 3is4 n GLY 452 N -0.25 -1.03 3.69 1.06 0.00 -1.26 -4.94 105.19 102.46 3is4 n GLY 452 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3is4 n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3is4 n LYS 453 N -1.07 0.00 -0.30 1.61 4.01 -0.88 -4.86 118.16 116.67 3is4 n LYS 453 Ca 0.13 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.87 3is4 n LYS 453 Cb 0.29 -2.63 0.07 0.00 -0.51 0.00 0.00 35.03 32.25 3is4 n LYS 453 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 3is4 h GLU 454 N 1.36 1.19 -0.21 1.97 3.07 -1.92 -0.17 114.58 119.87 3is4 h GLU 454 Ca 0.00 -0.18 -0.03 0.00 -0.50 0.00 0.00 59.36 58.64 3is4 h GLU 454 Cb 0.00 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 3is4 h GLU 454 CO 0.00 0.93 0.01 0.45 -1.40 0.00 0.00 179.01 178.99 3is4 h HIS 455 N 1.17 0.39 -0.52 4.33 3.86 -1.92 -0.63 115.15 121.83 3is4 h HIS 455 Ca 0.28 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 3is4 h HIS 455 Cb 0.14 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 3is4 h HIS 455 CO 0.02 0.54 0.13 0.00 0.86 0.00 0.00 177.93 179.47 3is4 h ARG 456 N 0.13 0.83 -0.13 2.45 3.08 -1.88 0.07 114.38 118.94 3is4 h ARG 456 Ca 0.06 -0.20 0.03 0.00 0.07 0.00 0.00 59.98 59.94 3is4 h ARG 456 Cb 0.38 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3is4 h ARG 456 CO 0.01 0.79 -0.06 0.28 -1.07 0.00 0.00 179.97 179.93 3is4 h VAL 457 N 0.73 0.81 -0.92 2.04 2.07 -1.01 -1.31 116.25 118.65 3is4 h VAL 457 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 3is4 h VAL 457 Cb 0.33 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3is4 h VAL 457 CO 0.00 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.15 3is4 h ALA 458 N 1.08 1.24 -0.93 1.67 0.00 -0.88 -0.98 119.26 120.46 3is4 h ALA 458 Ca 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3is4 h ALA 458 Cb 0.15 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3is4 h ALA 458 CO -0.16 0.65 0.61 0.00 0.00 0.00 0.00 179.25 180.36 3is4 h ALA 459 N 1.34 1.18 -0.08 0.00 0.00 -0.68 0.16 119.26 121.17 3is4 h ALA 459 Ca 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3is4 h ALA 459 Cb -0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.36 3is4 h ALA 459 CO -0.06 0.56 0.02 0.78 0.00 0.00 0.00 179.25 180.55 3is4 h GLY 460 N 1.24 0.14 0.98 0.00 0.00 -0.65 -1.69 103.07 103.10 3is4 h GLY 460 Ca 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 3is4 h GLY 460 CO -0.08 0.08 0.26 -2.08 0.00 0.00 0.00 176.54 174.72 3is4 h VAL 461 N -0.07 1.14 -0.32 4.60 2.07 -0.97 -2.15 116.25 120.56 3is4 h VAL 461 Ca 0.03 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.25 3is4 h VAL 461 Cb 0.24 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3is4 h VAL 461 CO -0.00 0.14 0.15 -0.08 0.02 0.00 0.00 177.57 177.80 3is4 h GLU 462 N 0.56 0.31 -0.46 1.57 4.57 -0.65 -0.18 114.58 120.30 3is4 h GLU 462 Ca 0.15 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.38 3is4 h GLU 462 Cb 0.00 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.47 3is4 h GLU 462 CO -0.03 0.20 0.15 0.35 -1.18 0.00 0.00 179.01 178.51 3is4 h PHE 463 N 0.32 0.26 -0.88 0.92 3.57 -1.14 0.41 116.94 120.40 3is4 h PHE 463 Ca 0.13 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.66 3is4 h PHE 463 Cb 0.06 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 3is4 h PHE 463 CO -0.10 0.08 0.57 0.00 -2.23 0.00 0.00 178.31 176.63 3is4 h ALA 464 N 1.31 1.35 -0.60 2.41 0.00 -0.93 -1.89 119.26 120.91 3is4 h ALA 464 Ca 0.22 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3is4 h ALA 464 Cb 0.23 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3is4 h ALA 464 CO -0.23 0.60 0.08 0.87 0.00 0.00 0.00 179.25 180.56 3is4 h LYS 465 N 1.20 1.01 0.00 0.00 1.57 -0.22 -0.73 116.57 119.40 3is4 h LYS 465 Ca 0.32 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3is4 h LYS 465 Cb -0.12 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3is4 h LYS 465 CO -0.07 0.96 -0.39 0.66 -0.57 0.00 0.00 179.45 180.04 3is4 h SER 466 N 0.91 0.00 0.30 0.86 4.64 -0.46 -2.58 113.55 117.23 3is4 h SER 466 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3is4 h SER 466 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3is4 h SER 466 CO 0.02 0.39 -0.12 0.29 -0.87 0.00 0.00 176.83 176.55 3is4 n LYS 467 N -3.78 0.78 -1.12 4.77 4.76 -0.75 -4.94 118.16 117.88 3is4 n LYS 467 Ca -0.01 -0.30 -0.04 0.00 -2.87 0.00 0.00 58.31 55.09 3is4 n LYS 467 Cb 0.47 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.14 3is4 n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3is4 n GLY 468 N 1.27 0.70 0.12 0.72 0.00 -0.97 -4.94 105.19 102.08 3is4 n GLY 468 Ca 0.15 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 3is4 n GLY 468 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3is4 h TYR 469 N 0.00 0.37 -3.98 1.61 0.05 -1.38 -3.45 116.97 110.19 3is4 h TYR 469 Ca -0.08 -0.13 -0.57 0.00 0.05 0.00 0.00 58.73 57.99 3is4 h TYR 469 Cb 0.31 -0.07 -0.23 0.00 1.01 0.00 0.00 36.73 37.76 3is4 h TYR 469 CO 0.15 0.79 -0.83 0.14 -1.05 0.00 0.00 178.16 177.35 3is4 s VAL 470 N -4.01 1.74 0.40 -2.88 -7.23 -1.20 -4.77 120.40 102.45 3is4 s VAL 470 Ca -0.15 -1.48 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 3is4 s VAL 470 Cb 0.04 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 3is4 s VAL 470 CO 0.75 0.01 0.19 0.00 -0.31 0.00 0.00 175.10 175.73 3is4 s GLN 471 N -1.76 1.95 -0.19 4.82 -2.07 -1.26 -4.30 119.66 116.84 3is4 s GLN 471 Ca 0.07 -2.19 -0.40 0.00 -1.82 0.00 0.00 55.36 51.02 3is4 s GLN 471 Cb -0.10 -0.32 -0.16 0.00 -1.09 0.00 0.00 33.01 31.34 3is4 s GLN 471 CO 0.04 -0.58 1.61 2.41 -1.32 0.00 0.00 175.29 177.45 3is4 n THR 472 N -0.88 0.20 -0.45 3.63 -1.04 -1.26 -1.60 114.28 112.87 3is4 n THR 472 Ca -0.03 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3is4 n THR 472 Cb 0.64 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 3is4 n THR 472 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3is4 n GLY 473 N 3.66 0.73 3.88 3.41 0.00 0.68 -5.00 105.19 112.55 3is4 n GLY 473 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 3is4 n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3is4 s ASP 474 N -2.83 6.28 0.06 1.61 1.01 -0.63 -4.79 116.67 117.38 3is4 s ASP 474 Ca 0.00 1.26 -0.11 0.00 0.71 0.00 0.00 52.55 54.42 3is4 s ASP 474 Cb 0.00 -2.40 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 3is4 s ASP 474 CO 0.00 -0.73 0.40 -0.31 0.21 0.00 0.00 175.17 174.74 3is4 s TYR 475 N -2.96 3.61 -0.06 4.23 2.02 -1.26 -0.38 117.35 122.54 3is4 s TYR 475 Ca 0.53 0.82 0.01 0.00 -0.37 0.00 0.00 57.07 58.05 3is4 s TYR 475 Cb -0.11 -2.18 0.02 0.00 -0.40 0.00 0.00 41.96 39.30 3is4 s TYR 475 CO 0.48 0.54 -0.05 0.00 -1.57 0.00 0.00 175.55 174.96 3is4 s VAL 477 N 1.18 5.06 -0.12 0.00 1.01 -0.58 -0.38 120.40 126.57 3is4 s VAL 477 Ca -0.07 0.58 -0.03 0.00 0.00 0.00 0.00 61.98 62.47 3is4 s VAL 477 Cb -0.14 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3is4 s VAL 477 CO -0.01 -0.05 -0.00 -0.69 0.00 0.00 0.00 175.10 174.34 3is4 s VAL 478 N 2.32 4.26 -0.01 2.92 1.01 0.13 -0.82 120.40 130.22 3is4 s VAL 478 Ca 0.19 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3is4 s VAL 478 Cb -0.16 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.40 3is4 s VAL 478 CO 0.11 0.55 -0.01 -0.51 0.00 0.00 0.00 175.10 175.24 3is4 s ILE 479 N -0.34 0.16 0.28 2.22 -1.16 0.39 -0.07 121.20 122.68 3is4 s ILE 479 Ca 0.07 -0.04 -0.19 0.00 -0.51 0.00 0.00 60.65 59.98 3is4 s ILE 479 Cb -0.12 -0.18 0.07 0.00 0.61 0.00 0.00 42.46 42.84 3is4 s ILE 479 CO 0.02 0.07 0.93 -1.38 -2.81 0.00 0.00 174.94 171.77 3is4 s HIS 480 N 0.25 0.10 1.07 3.50 -3.43 -0.61 -0.88 115.29 115.29 3is4 s HIS 480 Ca -0.02 -0.63 -0.17 0.00 -0.80 0.00 0.00 55.06 53.44 3is4 s HIS 480 Cb -0.04 0.77 0.24 0.00 -1.43 0.00 0.00 32.58 32.11 3is4 s HIS 480 CO -0.01 -1.23 1.22 0.00 -2.00 0.00 0.00 174.74 172.73 3is4 s ALA 481 N -2.21 1.51 0.00 -1.38 0.00 -1.26 -0.96 121.76 117.46 3is4 s ALA 481 Ca 0.19 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.08 3is4 s ALA 481 Cb -0.04 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.25 3is4 s ALA 481 CO 0.08 -2.93 0.00 2.48 0.00 0.00 0.00 175.76 175.39 3is4 n TYR 488 N -4.20 0.00 -3.40 0.00 4.11 -1.26 -4.79 117.16 107.62 3is4 n TYR 488 Ca 0.14 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.63 3is4 n TYR 488 Cb 0.59 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.84 3is4 n TYR 488 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3is4 s ALA 489 N 0.00 3.48 0.00 -3.48 0.00 -1.26 -4.88 121.76 115.62 3is4 s ALA 489 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3is4 s ALA 489 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.25 3is4 s ALA 489 CO 0.00 -1.21 0.37 0.27 0.00 0.00 0.00 175.76 175.20 3is4 n ASN 490 N 5.39 0.66 -4.32 0.00 2.04 -0.85 -4.42 115.26 113.76 3is4 n ASN 490 Ca -0.09 -1.11 -0.31 0.00 -0.44 0.00 0.00 54.58 52.63 3is4 n ASN 490 Cb 0.49 0.00 -0.16 0.00 -2.53 0.00 0.00 39.78 37.58 3is4 n ASN 490 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 3is4 s GLN 491 N -0.11 2.16 0.00 -3.83 0.74 -0.14 -5.01 119.66 113.48 3is4 s GLN 491 Ca 0.00 -0.91 0.02 0.00 0.05 0.00 0.00 55.36 54.52 3is4 s GLN 491 Cb 0.00 -2.07 -0.01 0.00 1.10 0.00 0.00 33.01 32.03 3is4 s GLN 491 CO 0.00 0.56 -0.07 0.99 -0.55 0.00 0.00 175.29 176.22 3is4 s THR 492 N -0.60 0.52 -0.01 -0.34 2.01 -1.26 -1.58 115.64 114.38 3is4 s THR 492 Ca 0.09 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.73 3is4 s THR 492 Cb -0.10 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 3is4 s THR 492 CO -0.01 0.07 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.78 3is4 s ARG 493 N -0.35 0.68 -0.36 4.92 0.52 0.90 -4.99 118.95 120.27 3is4 s ARG 493 Ca 0.01 -0.31 -0.11 0.00 -0.52 0.00 0.00 55.73 54.80 3is4 s ARG 493 Cb -0.03 -0.66 0.02 0.00 0.52 0.00 0.00 34.95 34.80 3is4 s ARG 493 CO -0.00 0.18 0.20 0.42 0.02 0.00 0.00 175.30 176.12 3is4 s ILE 494 N -0.21 4.64 -0.11 1.52 1.01 -1.26 0.19 121.20 126.97 3is4 s ILE 494 Ca 0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 3is4 s ILE 494 Cb -0.03 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 3is4 s ILE 494 CO -0.00 -0.17 -0.01 -0.22 0.00 0.00 0.00 174.94 174.54 3is4 s LEU 495 N 1.58 3.47 -0.24 2.97 0.20 0.49 -4.94 118.68 122.21 3is4 s LEU 495 Ca 0.03 0.05 -0.20 0.00 0.69 0.00 0.00 54.13 54.71 3is4 s LEU 495 Cb -0.19 -1.81 -0.02 0.00 -0.43 0.00 0.00 46.19 43.74 3is4 s LEU 495 CO 0.07 0.31 0.59 -0.22 -0.29 0.00 0.00 176.35 176.80 3is4 s LEU 496 N -0.45 4.08 0.05 -0.68 2.96 -1.26 -0.64 118.68 122.73 3is4 s LEU 496 Ca 0.08 0.68 -0.31 0.00 -0.22 0.00 0.00 54.13 54.36 3is4 s LEU 496 Cb -0.12 -2.79 -0.07 0.00 0.50 0.00 0.00 46.19 43.71 3is4 s LEU 496 CO 0.02 -0.31 1.42 -0.69 -1.32 0.00 0.00 176.35 175.47 3is4 s VAL 497 N 2.25 3.52 -2.00 1.68 1.01 0.49 -4.90 120.40 122.45 3is4 s VAL 497 Ca 0.25 0.99 0.32 0.00 0.00 0.00 0.00 61.98 63.54 3is4 s VAL 497 Cb -0.16 -3.64 0.90 0.00 0.00 0.00 0.00 36.38 33.49 3is4 s VAL 497 CO 0.09 0.03 2.21 -0.62 0.00 0.00 0.00 175.10 176.81