#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5u s GLN 13 N 0.00 2.09 0.30 0.38 -0.21 -1.26 -4.97 119.66 115.99 1a5u s GLN 13 Ca 0.00 1.39 0.04 0.00 0.02 0.00 0.00 55.36 56.82 1a5u s GLN 13 Cb 0.00 -1.86 -0.02 0.00 1.00 0.00 0.00 33.01 32.13 1a5u s GLN 13 CO 0.00 -1.80 0.45 -0.08 -2.12 0.00 0.00 175.29 171.74 1a5u s THR 14 N -2.58 4.77 -1.57 -0.19 -1.32 -1.26 -4.23 115.64 109.26 1a5u s THR 14 Ca 0.66 -0.87 -0.11 0.00 -1.21 0.00 0.00 61.69 60.16 1a5u s THR 14 Cb -0.21 -3.69 0.09 0.00 -1.51 0.00 0.00 72.50 67.18 1a5u s THR 14 CO 0.51 -0.31 0.71 1.67 -2.21 0.00 0.00 174.62 174.99 1a5u n GLN 15 N -1.60 -3.72 -2.84 7.08 7.27 0.92 -0.60 117.38 123.89 1a5u n GLN 15 Ca -0.05 0.43 -0.12 0.00 0.07 0.00 0.00 57.00 57.33 1a5u n GLN 15 Cb 0.57 -5.00 -0.01 0.00 2.41 0.00 0.00 30.24 28.21 1a5u n GLN 15 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1a5u n GLN 16 N -4.45 -2.65 0.27 3.69 1.13 -1.26 -4.82 117.38 109.29 1a5u n GLN 16 Ca -0.06 0.29 0.11 0.00 -1.94 0.00 0.00 57.00 55.39 1a5u n GLN 16 Cb 0.56 -4.86 0.74 0.00 0.11 0.00 0.00 30.24 26.79 1a5u n GLN 16 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1a5u h LEU 17 N -0.28 0.00 0.05 1.08 3.38 -1.14 -0.02 115.31 118.38 1a5u h LEU 17 Ca -0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1a5u h LEU 17 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1a5u h LEU 17 CO 0.29 0.02 -0.02 -0.74 0.09 0.00 0.00 178.44 178.08 1a5u h HIS 18 N 0.00 -0.06 -0.92 1.13 2.76 -1.88 -2.76 115.15 113.43 1a5u h HIS 18 Ca -0.00 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.28 1a5u h HIS 18 Cb 0.05 0.02 -0.08 0.00 1.55 0.00 0.00 27.41 28.95 1a5u h HIS 18 CO 0.00 0.30 0.56 0.00 -1.30 0.00 0.00 177.93 177.48 1a5u h ALA 19 N 0.52 1.36 -0.06 5.26 0.00 -1.65 0.96 119.26 125.65 1a5u h ALA 19 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1a5u h ALA 19 Cb 0.38 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a5u h ALA 19 CO 0.01 0.16 0.31 0.00 0.00 0.00 0.00 179.25 179.72 1a5u h ALA 20 N 1.51 1.42 0.00 0.00 0.00 -0.72 0.43 119.26 121.90 1a5u h ALA 20 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1a5u h ALA 20 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a5u h ALA 20 CO -0.26 -0.34 -0.28 0.52 0.00 0.00 0.00 179.25 178.89 1a5u h MET 21 N 0.00 0.00 -6.43 0.00 2.86 -0.64 -3.45 114.93 107.27 1a5u h MET 21 Ca 0.03 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.08 1a5u h MET 21 Cb 0.64 0.00 0.17 0.00 0.06 0.00 0.00 31.60 32.47 1a5u h MET 21 CO -0.00 0.00 -0.48 0.00 1.06 0.00 0.00 176.91 177.49 1a5u n ALA 22 N -1.93 -1.39 -0.03 6.32 0.00 0.14 -4.97 120.51 118.65 1a5u n ALA 22 Ca 0.04 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 1a5u n ALA 22 Cb 0.47 -1.77 -0.13 0.00 0.00 0.00 0.00 19.45 18.02 1a5u n ALA 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a5u n ASP 23 N 0.81 2.08 -4.51 0.00 8.00 -1.26 -4.93 116.55 116.74 1a5u n ASP 23 Ca 0.11 0.17 -0.27 0.00 0.71 0.00 0.00 54.79 55.51 1a5u n ASP 23 Cb 0.47 -0.80 -0.10 0.00 -0.02 0.00 0.00 41.12 40.66 1a5u n ASP 23 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a5u s THR 24 N -2.54 2.87 0.23 -3.53 -4.23 -1.26 -5.03 115.64 102.16 1a5u s THR 24 Ca -0.25 -1.78 -0.06 0.00 -1.18 0.00 0.00 61.69 58.43 1a5u s THR 24 Cb 0.07 -2.40 0.19 0.00 1.34 0.00 0.00 72.50 71.71 1a5u s THR 24 CO 0.72 -0.09 1.77 0.15 -0.54 0.00 0.00 174.62 176.63 1a5u h PHE 25 N 3.08 0.66 -0.70 3.99 3.57 -1.98 0.11 116.94 125.67 1a5u h PHE 25 Ca -0.47 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.09 1a5u h PHE 25 Cb 1.20 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1a5u h PHE 25 CO 0.66 0.21 0.44 1.25 -2.23 0.00 0.00 178.31 178.64 1a5u h LEU 26 N 0.60 0.73 -0.54 0.59 5.85 -1.99 0.82 115.31 121.37 1a5u h LEU 26 Ca 0.38 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.02 1a5u h LEU 26 Cb 0.43 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1a5u h LEU 26 CO -0.29 0.51 0.04 -0.08 -0.34 0.00 0.00 178.44 178.27 1a5u h GLU 27 N 0.87 0.92 0.11 1.25 4.57 -1.52 -1.85 114.58 118.92 1a5u h GLU 27 Ca 0.28 -0.27 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1a5u h GLU 27 Cb 0.00 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.45 1a5u h GLU 27 CO -0.10 0.92 -0.40 1.25 -1.18 0.00 0.00 179.01 179.50 1a5u h HIS 28 N 0.80 -1.12 -0.22 0.92 2.76 -0.11 -1.74 115.15 116.46 1a5u h HIS 28 Ca 0.16 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.41 1a5u h HIS 28 Cb 0.48 0.48 -0.07 0.00 1.55 0.00 0.00 27.41 29.84 1a5u h HIS 28 CO 0.04 -0.50 -0.24 0.52 -1.30 0.00 0.00 177.93 176.45 1a5u h MET 29 N -0.63 -0.25 -0.59 5.26 2.86 -0.76 -2.42 114.93 118.41 1a5u h MET 29 Ca 0.03 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.85 1a5u h MET 29 Cb 0.66 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1a5u h MET 29 CO -0.24 -0.17 0.44 0.00 1.06 0.00 0.00 176.91 178.00 1a5u n ARG 31 N -4.28 2.30 -1.89 0.00 1.74 -0.71 -4.94 116.66 108.89 1a5u n ARG 31 Ca 0.11 -1.97 -0.42 0.00 -0.77 0.00 0.00 57.85 54.80 1a5u n ARG 31 Cb 0.67 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 1a5u n ARG 31 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a5u s LEU 32 N -1.41 4.37 -0.24 0.55 1.43 -0.54 -4.27 118.68 118.56 1a5u s LEU 32 Ca 0.37 2.59 -0.01 0.00 -1.03 0.00 0.00 54.13 56.05 1a5u s LEU 32 Cb 0.21 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.88 1a5u s LEU 32 CO 0.29 -0.89 -0.07 -0.62 0.23 0.00 0.00 176.35 175.29 1a5u s ASP 33 N 2.03 4.22 0.64 2.29 -1.08 -1.26 -4.97 116.67 118.53 1a5u s ASP 33 Ca 0.74 -0.85 0.36 0.00 -0.52 0.00 0.00 52.55 52.28 1a5u s ASP 33 Cb -0.42 -1.65 2.03 0.00 -1.46 0.00 0.00 42.92 41.42 1a5u s ASP 33 CO 0.33 -0.11 2.23 0.16 0.52 0.00 0.00 175.17 178.29 1a5u h ILE 34 N 6.13 0.21 -0.01 4.11 3.07 -2.01 0.22 117.51 129.22 1a5u h ILE 34 Ca -0.34 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1a5u h ILE 34 Cb 1.11 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 1a5u h ILE 34 CO 0.58 0.00 -0.25 0.47 -1.05 0.00 0.00 178.15 177.89 1a5u n ASP 35 N -3.36 0.99 -4.59 2.16 8.00 -1.26 -4.76 116.55 113.73 1a5u n ASP 35 Ca -0.02 -0.87 -0.43 0.00 0.71 0.00 0.00 54.79 54.19 1a5u n ASP 35 Cb 0.17 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 1a5u n ASP 35 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a5u s SER 36 N -2.51 6.60 0.13 -2.24 0.15 0.76 -4.97 113.70 111.64 1a5u s SER 36 Ca 0.24 0.42 -0.30 0.00 0.70 0.00 0.00 55.95 57.02 1a5u s SER 36 Cb 0.19 -2.44 -0.06 0.00 -1.71 0.00 0.00 66.02 62.00 1a5u s SER 36 CO 0.52 -0.84 0.96 0.00 1.20 0.00 0.00 173.24 175.07 1a5u s ALA 37 N 3.38 3.26 0.79 5.45 0.00 -1.26 -4.50 121.76 128.89 1a5u s ALA 37 Ca 0.35 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1a5u s ALA 37 Cb -0.12 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 19.80 1a5u s ALA 37 CO 0.19 0.01 1.09 -1.25 0.00 0.00 0.00 175.76 175.80 1a5u s PRO 38 N -0.20 2.09 0.98 0.00 0.04 -1.26 -0.05 135.00 136.60 1a5u s PRO 38 Ca 0.46 1.01 -0.17 0.00 0.04 0.00 0.00 61.00 62.35 1a5u s PRO 38 Cb -0.24 -1.89 0.23 0.00 0.04 0.00 0.00 34.50 32.65 1a5u s PRO 38 CO 0.30 -1.71 1.12 0.44 0.04 0.00 0.00 177.00 177.19 1a5u n ILE 39 N -3.55 0.00 0.04 0.56 -5.35 -1.26 -4.85 119.36 104.95 1a5u n ILE 39 Ca 0.08 -0.71 0.04 0.00 -0.27 0.00 0.00 62.75 61.89 1a5u n ILE 39 Cb 0.54 -1.42 -0.08 0.00 -1.74 0.00 0.00 39.64 36.94 1a5u n ILE 39 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1a5u n THR 40 N -4.05 0.90 -2.64 7.28 -2.24 -1.26 -4.86 114.28 107.41 1a5u n THR 40 Ca 0.15 -0.64 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 1a5u n THR 40 Cb 0.53 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 68.22 1a5u n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u s ALA 41 N -3.09 3.51 -0.21 6.98 0.00 -1.26 -5.03 121.76 122.67 1a5u s ALA 41 Ca -0.03 -0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.65 1a5u s ALA 41 Cb 0.09 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 1a5u s ALA 41 CO 0.82 -1.45 0.79 0.50 0.00 0.00 0.00 175.76 176.41 1a5u s ARG 42 N 3.62 4.23 -0.01 0.00 3.52 -1.26 -4.94 118.95 124.12 1a5u s ARG 42 Ca 0.46 0.90 0.11 0.00 -0.13 0.00 0.00 55.73 57.06 1a5u s ARG 42 Cb -0.12 -3.61 -0.23 0.00 -1.56 0.00 0.00 34.95 29.43 1a5u s ARG 42 CO 0.15 -0.39 0.80 -0.91 -0.81 0.00 0.00 175.30 174.14 1a5u h ASN 43 N 7.52 0.01 -3.62 -2.12 -0.26 -1.95 -3.46 115.58 111.71 1a5u h ASN 43 Ca -0.27 -0.02 -0.57 0.00 -0.56 0.00 0.00 56.30 54.88 1a5u h ASN 43 Cb 1.12 -0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 38.30 1a5u h ASN 43 CO 0.84 1.02 0.83 -0.89 -1.06 0.00 0.00 177.43 178.17 1a5u s THR 44 N -2.62 4.33 0.56 2.81 2.01 -1.26 0.40 115.64 121.87 1a5u s THR 44 Ca -0.04 1.24 -0.20 0.00 0.31 0.00 0.00 61.69 63.01 1a5u s THR 44 Cb 0.08 -4.52 -0.06 0.00 0.01 0.00 0.00 72.50 68.01 1a5u s THR 44 CO 0.82 -0.85 1.04 0.61 -0.69 0.00 0.00 174.62 175.55 1a5u n GLY 45 N 4.65 -0.12 3.23 4.40 0.00 -1.04 -4.79 105.19 111.51 1a5u n GLY 45 Ca 0.11 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1a5u n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5u s ILE 46 N -1.44 2.58 -0.23 -0.61 1.01 -1.26 -1.51 121.20 119.73 1a5u s ILE 46 Ca 0.73 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 1a5u s ILE 46 Cb -0.44 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1a5u s ILE 46 CO 0.49 0.51 0.06 -0.63 0.00 0.00 0.00 174.94 175.37 1a5u s ILE 47 N 1.01 4.39 -0.10 2.92 1.01 -0.23 -1.60 121.20 128.60 1a5u s ILE 47 Ca -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1a5u s ILE 47 Cb -0.15 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1a5u s ILE 47 CO -0.03 0.37 -0.16 0.00 0.00 0.00 0.00 174.94 175.11 1a5u s THR 49 N -0.01 4.78 -0.21 0.00 2.01 -0.12 0.70 115.64 122.80 1a5u s THR 49 Ca -0.05 1.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.78 1a5u s THR 49 Cb -0.14 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 1a5u s THR 49 CO 0.04 -0.33 0.46 -0.63 -0.69 0.00 0.00 174.62 173.47 1a5u s ILE 50 N 2.99 5.15 0.00 1.82 -1.09 -0.89 -2.06 121.20 127.12 1a5u s ILE 50 Ca 0.31 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.55 1a5u s ILE 50 Cb -0.14 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1a5u s ILE 50 CO 0.15 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1a5u n GLY 51 N 3.96 4.88 0.20 6.18 0.00 -1.26 -4.77 105.19 114.38 1a5u n GLY 51 Ca -0.07 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 1a5u n GLY 51 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a5u h PRO 52 N 0.00 -0.23 0.00 1.61 0.11 -1.62 0.32 132.00 132.19 1a5u h PRO 52 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1a5u h PRO 52 Cb 0.00 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1a5u h PRO 52 CO 0.00 -0.15 0.00 0.00 -0.21 0.00 0.00 178.00 177.64 1a5u n ALA 53 N -2.53 1.39 -0.91 -0.75 0.00 0.63 -3.27 120.51 115.07 1a5u n ALA 53 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1a5u n ALA 53 Cb 0.21 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1a5u n ALA 53 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a5u n SER 54 N -2.00 0.21 0.03 0.00 3.41 -0.89 -4.86 113.62 109.52 1a5u n SER 54 Ca 0.01 -1.12 -0.04 0.00 -0.26 0.00 0.00 58.87 57.47 1a5u n SER 54 Cb 0.13 -0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.27 1a5u n SER 54 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1a5u h ARG 55 N 0.00 0.43 -6.60 4.33 3.08 -0.37 -3.39 114.38 111.86 1a5u h ARG 55 Ca 0.00 -0.18 -0.59 0.00 0.07 0.00 0.00 59.98 59.29 1a5u h ARG 55 Cb 0.95 -0.02 0.14 0.00 0.08 0.00 0.00 29.97 31.13 1a5u h ARG 55 CO 0.00 0.70 0.04 -1.13 -1.07 0.00 0.00 179.97 178.51 1a5u n SER 56 N -4.09 0.75 0.23 7.04 3.41 -1.26 -4.79 113.62 114.91 1a5u n SER 56 Ca -0.01 0.98 0.10 0.00 -0.26 0.00 0.00 58.87 59.68 1a5u n SER 56 Cb 0.44 -1.31 0.49 0.00 -0.26 0.00 0.00 64.21 63.57 1a5u n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1a5u h VAL 57 N 1.26 0.56 -0.06 -3.33 2.07 -1.89 -1.60 116.25 113.26 1a5u h VAL 57 Ca -0.44 -1.06 -0.24 0.00 0.82 0.00 0.00 66.70 65.78 1a5u h VAL 57 Cb 1.35 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1a5u h VAL 57 CO 0.55 0.21 -0.92 -0.08 0.02 0.00 0.00 177.57 177.35 1a5u h GLU 58 N 0.00 0.69 -0.23 1.57 4.81 -1.92 -2.63 114.58 116.87 1a5u h GLU 58 Ca -0.00 -0.67 -0.16 0.00 -0.13 0.00 0.00 59.36 58.40 1a5u h GLU 58 Cb 0.70 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1a5u h GLU 58 CO 0.03 1.26 -0.51 1.15 -0.73 0.00 0.00 179.01 180.21 1a5u h THR 59 N 0.43 1.30 0.50 0.32 2.02 -1.85 -2.91 112.91 112.72 1a5u h THR 59 Ca -0.09 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.35 1a5u h THR 59 Cb 1.56 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 1a5u h THR 59 CO 0.18 0.55 -0.51 -0.07 0.37 0.00 0.00 175.52 176.03 1a5u h LEU 60 N 0.52 -1.42 -0.77 2.58 4.07 -1.27 0.28 115.31 119.30 1a5u h LEU 60 Ca 0.02 0.11 0.15 0.00 0.08 0.00 0.00 57.88 58.25 1a5u h LEU 60 Cb 1.07 0.47 -0.15 0.00 1.08 0.00 0.00 40.66 43.13 1a5u h LEU 60 CO 0.10 -0.67 -0.19 0.11 -1.08 0.00 0.00 178.44 176.71 1a5u h LYS 61 N -1.01 -0.00 0.00 1.13 1.57 -1.47 2.57 116.57 119.35 1a5u h LYS 61 Ca -0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1a5u h LYS 61 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1a5u h LYS 61 CO -0.07 -0.00 -0.02 0.93 -0.57 0.00 0.00 179.45 179.72 1a5u h GLU 62 N -0.00 0.00 0.03 3.15 4.39 -1.18 -2.19 114.58 118.78 1a5u h GLU 62 Ca 0.37 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.87 1a5u h GLU 62 Cb 0.56 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1a5u h GLU 62 CO -0.79 0.02 -0.81 0.52 -1.16 0.00 0.00 179.01 176.79 1a5u h MET 63 N 0.00 0.49 -0.65 2.33 2.86 0.80 -2.49 114.93 118.26 1a5u h MET 63 Ca -0.00 -0.57 -0.09 0.00 -2.06 0.00 0.00 59.70 56.98 1a5u h MET 63 Cb 0.24 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1a5u h MET 63 CO 0.00 1.21 0.06 0.82 1.06 0.00 0.00 176.91 180.05 1a5u h ILE 64 N 0.01 1.27 0.30 -1.22 2.04 -0.44 -2.07 117.51 117.39 1a5u h ILE 64 Ca -0.11 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 1a5u h ILE 64 Cb 1.52 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1a5u h ILE 64 CO 0.16 0.41 -0.24 0.11 0.00 0.00 0.00 178.15 178.59 1a5u h LYS 65 N 1.02 -0.52 0.00 2.37 1.57 -1.48 -2.05 116.57 117.48 1a5u h LYS 65 Ca 0.19 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1a5u h LYS 65 Cb 0.50 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1a5u h LYS 65 CO 0.02 -0.35 0.00 0.77 -0.57 0.00 0.00 179.45 179.32 1a5u h SER 66 N -0.54 0.00 0.00 0.86 0.02 -1.24 -3.45 113.55 109.20 1a5u h SER 66 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1a5u h SER 66 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1a5u h SER 66 CO -0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.29 1a5u n GLY 67 N -0.99 0.64 3.68 -3.77 0.00 -0.77 -4.39 105.19 99.59 1a5u n GLY 67 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 1a5u n GLY 67 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a5u n MET 68 N 0.00 2.29 -0.03 1.61 0.00 -0.81 -4.59 117.12 115.59 1a5u n MET 68 Ca 0.00 0.82 -0.03 0.00 -0.00 0.00 0.00 57.70 58.50 1a5u n MET 68 Cb 0.00 -2.60 -0.06 0.00 0.00 0.00 0.00 33.22 30.56 1a5u n MET 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1a5u n ASN 69 N 3.41 3.13 -3.79 6.12 4.13 -0.63 -4.67 115.26 122.96 1a5u n ASN 69 Ca 0.16 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.29 1a5u n ASN 69 Cb 0.30 0.78 -0.14 0.00 -1.54 0.00 0.00 39.78 39.18 1a5u n ASN 69 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a5u s VAL 70 N -2.24 -0.03 -0.28 2.41 1.01 -1.13 -0.19 120.40 119.96 1a5u s VAL 70 Ca -0.04 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1a5u s VAL 70 Cb 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.20 1a5u s VAL 70 CO 0.32 0.04 0.18 0.00 0.00 0.00 0.00 175.10 175.64 1a5u s ALA 71 N 0.65 3.52 -0.28 5.51 0.00 0.17 -0.37 121.76 130.96 1a5u s ALA 71 Ca -0.05 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 1a5u s ALA 71 Cb -0.07 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 1a5u s ALA 71 CO -0.03 -0.52 0.18 0.50 0.00 0.00 0.00 175.76 175.90 1a5u s ARG 72 N 1.69 3.94 -0.41 0.00 3.52 0.22 0.73 118.95 128.63 1a5u s ARG 72 Ca 0.07 -0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 55.22 1a5u s ARG 72 Cb -0.16 -3.63 0.05 0.00 -1.56 0.00 0.00 34.95 29.65 1a5u s ARG 72 CO 0.10 -0.17 0.28 -1.64 -0.81 0.00 0.00 175.30 173.06 1a5u s MET 73 N 1.72 2.83 -0.50 5.12 -1.94 0.19 -2.10 119.30 124.62 1a5u s MET 73 Ca 0.07 -1.22 -0.27 0.00 -1.71 0.00 0.00 55.69 52.56 1a5u s MET 73 Cb -0.16 -3.88 0.03 0.00 2.01 0.00 0.00 34.83 32.83 1a5u s MET 73 CO 0.10 -0.84 1.03 1.21 -0.01 0.00 0.00 175.02 176.50 1a5u s ASN 74 N 1.94 6.49 0.00 3.03 3.84 -1.26 0.14 114.94 129.13 1a5u s ASN 74 Ca 0.03 0.11 0.13 0.00 0.21 0.00 0.00 52.86 53.33 1a5u s ASN 74 Cb -0.21 -2.49 0.65 0.00 -0.55 0.00 0.00 41.25 38.65 1a5u s ASN 74 CO 0.06 -1.21 1.31 0.49 -2.79 0.00 0.00 177.10 174.96 1a5u n PHE 75 N 7.61 0.00 0.23 0.43 3.01 0.78 -1.70 117.46 127.82 1a5u n PHE 75 Ca 0.07 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.66 1a5u n PHE 75 Cb 0.49 -0.27 0.41 0.00 -0.01 0.00 0.00 39.48 40.10 1a5u n PHE 75 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1a5u h SER 76 N 0.00 0.00 -1.69 4.37 0.02 -1.78 -3.44 113.55 111.03 1a5u h SER 76 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 1a5u h SER 76 Cb 0.11 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.52 1a5u h SER 76 CO 0.00 0.10 -0.60 -1.00 -1.14 0.00 0.00 176.83 174.19 1a5u s HIS 77 N -3.45 2.51 0.00 3.45 3.76 -0.69 -4.98 115.29 115.89 1a5u s HIS 77 Ca 0.03 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1a5u s HIS 77 Cb 0.08 -1.76 0.00 0.00 1.11 0.00 0.00 32.58 32.01 1a5u s HIS 77 CO 0.62 0.45 0.00 0.41 -0.85 0.00 0.00 174.74 175.37 1a5u n GLY 78 N -0.96 0.03 3.54 -2.22 0.00 -1.26 -4.87 105.19 99.45 1a5u n GLY 78 Ca -0.05 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1a5u n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a5u s THR 79 N 0.00 1.21 0.43 2.61 -4.23 -1.26 -4.96 115.64 109.44 1a5u s THR 79 Ca 0.00 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.73 1a5u s THR 79 Cb 0.00 -2.64 0.24 0.00 1.34 0.00 0.00 72.50 71.44 1a5u s THR 79 CO 0.00 0.00 2.04 0.45 -0.54 0.00 0.00 174.62 176.57 1a5u h HIS 80 N 1.86 0.00 0.43 3.99 -0.00 -1.98 -0.48 115.15 118.98 1a5u h HIS 80 Ca -0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.94 1a5u h HIS 80 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 1a5u h HIS 80 CO 0.95 0.15 -0.21 1.49 -0.00 0.00 0.00 177.93 180.32 1a5u h GLU 81 N 0.00 -0.56 -0.97 2.45 4.81 -2.00 -2.00 114.58 116.31 1a5u h GLU 81 Ca -0.00 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 1a5u h GLU 81 Cb 0.34 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.77 1a5u h GLU 81 CO 0.02 -0.25 0.62 -0.92 -0.73 0.00 0.00 179.01 177.75 1a5u h TYR 82 N -0.90 1.14 -0.08 0.92 5.03 -1.81 -2.92 116.97 118.34 1a5u h TYR 82 Ca -0.06 0.03 -0.18 0.00 2.58 0.00 0.00 58.73 61.10 1a5u h TYR 82 Cb 0.57 -0.37 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 1a5u h TYR 82 CO 0.01 0.55 -0.70 0.45 -1.32 0.00 0.00 178.16 177.15 1a5u h HIS 83 N 1.08 0.52 0.00 -3.82 3.86 -1.12 -2.74 115.15 112.94 1a5u h HIS 83 Ca 0.44 -0.22 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1a5u h HIS 83 Cb 0.26 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 1a5u h HIS 83 CO -0.01 0.97 -0.16 0.00 0.86 0.00 0.00 177.93 179.59 1a5u h ALA 84 N 0.97 0.96 -0.02 2.45 0.00 -1.18 -1.53 119.26 120.92 1a5u h ALA 84 Ca -0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1a5u h ALA 84 Cb 1.26 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1a5u h ALA 84 CO 0.12 0.20 -0.35 1.49 0.00 0.00 0.00 179.25 180.72 1a5u h GLU 85 N 0.00 0.26 -0.19 0.00 4.81 -1.48 -2.36 114.58 115.62 1a5u h GLU 85 Ca -0.00 -0.26 0.05 0.00 -0.13 0.00 0.00 59.36 59.02 1a5u h GLU 85 Cb 0.83 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.21 1a5u h GLU 85 CO 0.02 0.96 -0.33 1.15 -0.73 0.00 0.00 179.01 180.08 1a5u h THR 86 N -0.33 0.27 -0.21 0.32 2.02 -1.38 0.68 112.91 114.27 1a5u h THR 86 Ca -0.04 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.20 1a5u h THR 86 Cb 1.07 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1a5u h THR 86 CO 0.07 0.00 0.23 0.40 0.37 0.00 0.00 175.52 176.59 1a5u h ILE 87 N -0.37 0.47 0.56 3.11 2.04 -1.32 -0.65 117.51 121.35 1a5u h ILE 87 Ca 0.11 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 1a5u h ILE 87 Cb 0.55 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1a5u h ILE 87 CO -0.39 0.00 -0.27 0.50 0.00 0.00 0.00 178.15 177.99 1a5u h LYS 88 N 0.00 -0.72 -0.34 2.37 3.11 0.88 -1.59 116.57 120.27 1a5u h LYS 88 Ca 0.10 0.05 0.10 0.00 -2.81 0.00 0.00 60.65 58.09 1a5u h LYS 88 Cb 0.56 0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.94 1a5u h LYS 88 CO -0.00 -0.48 0.33 -0.91 -2.81 0.00 0.00 179.45 175.57 1a5u h ASN 89 N -1.11 0.00 0.12 4.20 -0.26 -0.43 0.18 115.58 118.27 1a5u h ASN 89 Ca -0.08 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.66 1a5u h ASN 89 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 1a5u h ASN 89 CO 0.13 0.00 -0.06 0.58 -1.06 0.00 0.00 177.43 177.02 1a5u h VAL 90 N 0.00 1.08 0.00 2.81 2.07 -1.07 0.07 116.25 121.21 1a5u h VAL 90 Ca 0.16 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1a5u h VAL 90 Cb 0.81 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1a5u h VAL 90 CO -0.00 0.25 0.00 0.03 0.02 0.00 0.00 177.57 177.87 1a5u h ARG 91 N -0.71 0.00 -0.02 1.57 3.08 -0.21 -2.06 114.38 116.04 1a5u h ARG 91 Ca -0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1a5u h ARG 91 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1a5u h ARG 91 CO 0.03 0.00 -0.22 1.15 -1.07 0.00 0.00 179.97 179.86 1a5u h THR 92 N 0.00 1.52 -0.40 2.04 2.02 -0.63 -2.01 112.91 115.44 1a5u h THR 92 Ca 0.00 -1.83 -0.08 0.00 0.77 0.00 0.00 66.41 65.27 1a5u h THR 92 Cb 0.68 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.73 1a5u h THR 92 CO 0.00 0.50 -0.04 0.00 0.37 0.00 0.00 175.52 176.35 1a5u h ALA 93 N 0.31 0.55 -0.06 6.16 0.00 -0.89 -1.54 119.26 123.78 1a5u h ALA 93 Ca -0.02 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1a5u h ALA 93 Cb 0.94 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1a5u h ALA 93 CO 0.04 0.37 -0.11 1.15 0.00 0.00 0.00 179.25 180.70 1a5u h THR 94 N 0.56 0.70 0.00 0.00 2.02 -1.46 -0.86 112.91 113.86 1a5u h THR 94 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1a5u h THR 94 Cb 0.54 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1a5u h THR 94 CO 0.03 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.59 1a5u h GLU 95 N -0.16 0.00 -0.00 6.66 4.39 -1.27 -1.95 114.58 122.24 1a5u h GLU 95 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1a5u h GLU 95 Cb 0.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1a5u h GLU 95 CO -0.16 0.00 0.01 1.03 -1.16 0.00 0.00 179.01 178.73 1a5u h SER 96 N 0.00 0.00 -0.02 1.42 0.87 -0.08 -1.85 113.55 113.88 1a5u h SER 96 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1a5u h SER 96 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1a5u h SER 96 CO 0.00 0.00 -0.06 0.49 -0.53 0.00 0.00 176.83 176.73 1a5u n PHE 97 N -3.41 0.00 0.44 2.24 3.72 -0.73 -4.59 117.46 115.13 1a5u n PHE 97 Ca -0.03 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.42 1a5u n PHE 97 Cb 0.09 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 38.88 1a5u n PHE 97 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a5u n ALA 98 N 0.98 1.58 0.38 4.37 0.00 -0.70 -3.62 120.51 123.50 1a5u n ALA 98 Ca 0.11 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 1a5u n ALA 98 Cb 0.50 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.70 1a5u n ALA 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a5u h SER 99 N 0.00 -0.84 -2.20 0.00 4.64 -1.81 -3.34 113.55 110.00 1a5u h SER 99 Ca 0.00 0.03 -0.67 0.00 -0.47 0.00 0.00 61.79 60.68 1a5u h SER 99 Cb 0.15 0.22 -0.16 0.00 -0.31 0.00 0.00 62.40 62.30 1a5u h SER 99 CO 0.00 -0.52 0.92 -0.62 -0.87 0.00 0.00 176.83 175.75 1a5u s ASP 100 N -4.08 6.55 0.55 4.97 2.15 -1.24 -4.83 116.67 120.74 1a5u s ASP 100 Ca -0.15 -1.80 0.19 0.00 0.43 0.00 0.00 52.55 51.22 1a5u s ASP 100 Cb 0.01 -2.43 1.04 0.00 -0.30 0.00 0.00 42.92 41.24 1a5u s ASP 100 CO 0.44 -1.19 1.54 1.55 -0.17 0.00 0.00 175.17 177.33 1a5u h PRO 101 N 9.11 0.00 0.15 4.34 0.13 -1.81 -1.83 132.00 142.09 1a5u h PRO 101 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1a5u h PRO 101 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1a5u h PRO 101 CO 1.18 0.00 -0.07 0.82 -0.23 0.00 0.00 178.00 179.69 1a5u h ILE 102 N 0.00 0.89 -0.69 -3.56 1.08 -1.91 -3.29 117.51 110.04 1a5u h ILE 102 Ca 0.00 -1.14 -0.26 0.00 -0.39 0.00 0.00 64.86 63.08 1a5u h ILE 102 Cb 0.89 1.49 -0.15 0.00 -3.07 0.00 0.00 36.82 35.98 1a5u h ILE 102 CO 0.00 0.23 0.32 0.18 -0.69 0.00 0.00 178.15 178.19 1a5u n LEU 103 N -4.92 5.63 -4.77 1.44 4.32 -0.73 -4.87 117.00 113.10 1a5u n LEU 103 Ca -0.08 -2.95 -0.39 0.00 -0.02 0.00 0.00 56.01 52.58 1a5u n LEU 103 Cb 0.27 -0.73 -0.06 0.00 -1.62 0.00 0.00 43.42 41.28 1a5u n LEU 103 CO 0.26 0.80 0.28 -0.47 -1.22 0.00 0.00 177.39 177.04 1a5u s TYR 104 N -2.62 3.70 -0.07 -1.77 5.04 -0.94 -4.97 117.35 115.71 1a5u s TYR 104 Ca 0.46 1.20 0.01 0.00 -2.44 0.00 0.00 57.07 56.30 1a5u s TYR 104 Cb 0.38 -2.59 0.02 0.00 0.35 0.00 0.00 41.96 40.12 1a5u s TYR 104 CO 0.11 0.39 -0.08 1.03 -1.34 0.00 0.00 175.55 175.66 1a5u s ARG 105 N -0.32 1.35 0.43 4.97 0.52 -1.26 -4.91 118.95 119.72 1a5u s ARG 105 Ca 0.30 -0.25 -0.24 0.00 -0.52 0.00 0.00 55.73 55.02 1a5u s ARG 105 Cb -0.18 -1.28 -0.08 0.00 0.52 0.00 0.00 34.95 33.92 1a5u s ARG 105 CO 0.17 -0.11 1.20 -2.14 0.02 0.00 0.00 175.30 174.44 1a5u s PRO 106 N 1.14 3.90 -0.06 3.54 0.02 -1.26 -4.93 135.00 137.34 1a5u s PRO 106 Ca -0.06 1.88 -0.01 0.00 0.02 0.00 0.00 61.00 62.83 1a5u s PRO 106 Cb -0.14 -2.58 0.03 0.00 0.02 0.00 0.00 34.50 31.83 1a5u s PRO 106 CO -0.01 -0.47 0.00 0.08 -0.33 0.00 0.00 177.00 176.27 1a5u s VAL 107 N -1.43 0.32 0.30 3.83 1.01 -1.26 -4.86 120.40 118.31 1a5u s VAL 107 Ca 0.60 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.46 1a5u s VAL 107 Cb -0.31 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 1a5u s VAL 107 CO 0.39 0.23 0.86 0.00 0.00 0.00 0.00 175.10 176.58 1a5u s ALA 108 N 1.70 3.27 -0.21 5.51 0.00 0.73 -4.92 121.76 127.83 1a5u s ALA 108 Ca 0.01 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.25 1a5u s ALA 108 Cb -0.13 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1a5u s ALA 108 CO -0.04 0.23 0.09 0.08 0.00 0.00 0.00 175.76 176.12 1a5u s VAL 109 N -1.66 4.79 -0.06 0.00 1.01 -1.26 0.41 120.40 123.63 1a5u s VAL 109 Ca 0.49 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1a5u s VAL 109 Cb -0.17 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1a5u s VAL 109 CO 0.21 0.40 -0.12 0.00 0.00 0.00 0.00 175.10 175.59 1a5u s ALA 110 N 0.88 1.22 -0.36 5.51 0.00 0.22 -1.14 121.76 128.10 1a5u s ALA 110 Ca 0.05 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.43 1a5u s ALA 110 Cb -0.14 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 1a5u s ALA 110 CO 0.03 0.10 0.53 -1.17 0.00 0.00 0.00 175.76 175.25 1a5u s LEU 111 N 0.69 4.36 -0.35 0.00 0.20 -0.95 0.56 118.68 123.19 1a5u s LEU 111 Ca -0.14 -0.04 -0.15 0.00 0.69 0.00 0.00 54.13 54.49 1a5u s LEU 111 Cb -0.16 -2.61 -0.01 0.00 -0.43 0.00 0.00 46.19 42.98 1a5u s LEU 111 CO 0.03 -0.51 0.34 -0.62 -0.29 0.00 0.00 176.35 175.30 1a5u s ASP 112 N 1.77 6.15 0.83 3.68 -1.08 0.38 -0.72 116.67 127.69 1a5u s ASP 112 Ca 0.19 -0.31 -0.14 0.00 -0.52 0.00 0.00 52.55 51.78 1a5u s ASP 112 Cb -0.15 -2.18 0.04 0.00 -1.46 0.00 0.00 42.92 39.16 1a5u s ASP 112 CO 0.14 -0.33 0.79 0.41 0.52 0.00 0.00 175.17 176.70 1a5u n THR 113 N 5.22 1.30 -0.06 1.71 -1.04 -0.29 0.27 114.28 121.39 1a5u n THR 113 Ca -0.10 -0.24 -0.03 0.00 -2.04 0.00 0.00 64.05 61.63 1a5u n THR 113 Cb 0.49 -0.90 -0.02 0.00 -1.82 0.00 0.00 70.33 68.08 1a5u n THR 113 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1a5u h LYS 114 N -0.99 0.00 0.00 -2.82 3.64 -1.89 -3.40 116.57 111.11 1a5u h LYS 114 Ca -0.45 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.10 1a5u h LYS 114 Cb 1.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 1a5u h LYS 114 CO 0.41 0.09 -0.22 0.41 -2.27 0.00 0.00 179.45 177.87 1a5u n GLY 115 N 1.69 -2.02 3.34 5.01 0.00 -1.26 -4.38 105.19 107.57 1a5u n GLY 115 Ca -0.05 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 1a5u n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5u n PRO 116 N -2.36 1.02 -4.33 1.61 -0.04 -1.26 -4.88 135.00 124.76 1a5u n PRO 116 Ca 0.00 -1.75 -0.17 0.00 -0.04 0.00 0.00 63.50 61.54 1a5u n PRO 116 Cb 0.28 -3.08 -0.10 0.00 -0.04 0.00 0.00 33.50 30.56 1a5u n PRO 116 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1a5u s GLU 117 N 6.13 1.27 -0.28 0.54 -1.05 -1.26 -4.94 118.70 119.12 1a5u s GLU 117 Ca 0.65 -1.56 -0.08 0.00 -0.15 0.00 0.00 54.97 53.83 1a5u s GLU 117 Cb 0.10 -1.00 -0.01 0.00 -0.44 0.00 0.00 34.13 32.78 1a5u s GLU 117 CO 0.19 0.15 0.09 0.42 0.95 0.00 0.00 175.26 177.06 1a5u s ILE 118 N -3.06 4.25 0.14 1.83 1.01 -1.26 -4.98 121.20 119.13 1a5u s ILE 118 Ca 0.21 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.55 1a5u s ILE 118 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1a5u s ILE 118 CO 0.06 0.19 -0.14 -0.13 0.00 0.00 0.00 174.94 174.92 1a5u s ARG 119 N 1.58 1.93 0.53 2.79 1.81 -1.26 0.20 118.95 126.53 1a5u s ARG 119 Ca 0.05 -1.20 -0.05 0.00 -1.72 0.00 0.00 55.73 52.81 1a5u s ARG 119 Cb -0.16 -2.15 -0.01 0.00 -0.45 0.00 0.00 34.95 32.18 1a5u s ARG 119 CO 0.04 0.46 0.83 0.99 -0.68 0.00 0.00 175.30 176.94 1a5u s THR 120 N -1.38 4.16 0.00 0.02 2.01 -0.14 -1.67 115.64 118.64 1a5u s THR 120 Ca 0.21 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1a5u s THR 120 Cb -0.10 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1a5u s THR 120 CO 0.13 -0.59 0.00 0.61 -0.69 0.00 0.00 174.62 174.08 1a5u n GLY 121 N -2.40 0.86 3.54 4.40 0.00 -0.73 -2.96 105.19 107.89 1a5u n GLY 121 Ca 0.03 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 1a5u n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5u s LEU 122 N 0.00 3.76 -0.11 0.99 1.43 -0.53 0.11 118.68 124.33 1a5u s LEU 122 Ca 0.00 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 1a5u s LEU 122 Cb 0.00 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1a5u s LEU 122 CO 0.00 -0.02 1.49 -0.63 0.23 0.00 0.00 176.35 177.42 1a5u s ILE 123 N 1.56 3.87 -1.04 -0.59 -1.09 -1.25 -0.30 121.20 122.35 1a5u s ILE 123 Ca 0.06 1.05 -0.10 0.00 -2.23 0.00 0.00 60.65 59.43 1a5u s ILE 123 Cb -0.15 -3.69 0.10 0.00 -1.58 0.00 0.00 42.46 37.13 1a5u s ILE 123 CO 0.07 -0.11 0.35 0.29 -1.23 0.00 0.00 174.94 174.30 1a5u n LYS 124 N 6.96 -2.40 -1.31 2.79 5.02 -0.56 -1.12 118.16 127.54 1a5u n LYS 124 Ca 0.16 0.22 -0.11 0.00 -2.02 0.00 0.00 58.31 56.57 1a5u n LYS 124 Cb 0.44 -4.82 -0.05 0.00 -0.02 0.00 0.00 35.03 30.58 1a5u n LYS 124 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a5u n GLY 125 N -0.91 1.16 3.23 0.72 0.00 -0.67 -4.99 105.19 103.73 1a5u n GLY 125 Ca 0.03 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1a5u n GLY 125 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a5u s SER 126 N -2.69 3.41 0.00 1.61 0.15 -0.28 -4.98 113.70 110.92 1a5u s SER 126 Ca 0.00 -0.52 0.21 0.00 0.70 0.00 0.00 55.95 56.34 1a5u s SER 126 Cb 0.00 -1.50 1.19 0.00 -1.71 0.00 0.00 66.02 64.00 1a5u s SER 126 CO 0.00 0.10 1.65 0.61 1.20 0.00 0.00 173.24 176.80 1a5u n GLY 127 N 3.96 -0.77 0.00 9.45 0.00 -1.26 -1.80 105.19 114.76 1a5u n GLY 127 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1a5u n GLY 127 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5u n THR 128 N -1.10 0.68 -2.99 2.61 -2.24 -1.26 -4.70 114.28 105.29 1a5u n THR 128 Ca 0.14 -0.82 -0.31 0.00 -2.27 0.00 0.00 64.05 60.79 1a5u n THR 128 Cb 0.11 0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 1a5u n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u s ALA 129 N -0.68 3.34 0.12 6.98 0.00 -0.74 -5.01 121.76 125.75 1a5u s ALA 129 Ca 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 51.96 51.70 1a5u s ALA 129 Cb 0.00 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 20.43 1a5u s ALA 129 CO 0.00 0.15 0.42 -1.83 0.00 0.00 0.00 175.76 174.50 1a5u s GLU 130 N -3.45 1.07 0.02 0.00 -1.05 -1.25 -3.52 118.70 110.51 1a5u s GLU 130 Ca 0.53 -0.64 -0.03 0.00 -0.15 0.00 0.00 54.97 54.68 1a5u s GLU 130 Cb -0.10 0.47 -0.01 0.00 -0.44 0.00 0.00 34.13 34.05 1a5u s GLU 130 CO 0.25 -0.42 0.03 0.54 0.95 0.00 0.00 175.26 176.62 1a5u s VAL 131 N -3.62 0.11 -0.41 1.83 0.11 -0.71 -4.87 120.40 112.84 1a5u s VAL 131 Ca 0.02 -0.94 -0.15 0.00 -2.93 0.00 0.00 61.98 57.97 1a5u s VAL 131 Cb 0.01 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1a5u s VAL 131 CO -0.11 -0.52 0.34 -0.70 -3.33 0.00 0.00 175.10 170.78 1a5u s GLU 132 N -1.78 3.06 0.67 1.54 2.12 -1.26 0.34 118.70 123.39 1a5u s GLU 132 Ca -0.12 -0.90 -0.11 0.00 0.36 0.00 0.00 54.97 54.19 1a5u s GLU 132 Cb -0.07 -3.96 -0.01 0.00 0.26 0.00 0.00 34.13 30.35 1a5u s GLU 132 CO -0.01 -0.75 1.05 -0.51 -0.54 0.00 0.00 175.26 174.49 1a5u s LEU 133 N 1.82 3.17 0.26 2.70 2.01 1.03 -4.85 118.68 124.82 1a5u s LEU 133 Ca 0.07 1.55 0.11 0.00 0.01 0.00 0.00 54.13 55.87 1a5u s LEU 133 Cb -0.18 -4.49 -0.05 0.00 0.01 0.00 0.00 46.19 41.48 1a5u s LEU 133 CO 0.11 -1.23 -0.15 -0.54 1.01 0.00 0.00 176.35 175.55 1a5u s LYS 134 N -5.08 1.84 0.00 1.70 -0.14 -1.26 -1.93 119.74 114.87 1a5u s LYS 134 Ca 0.57 -1.63 -0.30 0.00 -1.36 0.00 0.00 55.97 53.25 1a5u s LYS 134 Cb -0.13 -1.90 -0.04 0.00 -1.68 0.00 0.00 37.83 34.09 1a5u s LYS 134 CO 0.54 0.35 1.06 0.21 -0.76 0.00 0.00 175.35 176.76 1a5u s LYS 135 N -3.44 4.49 0.00 1.68 2.20 -1.26 -3.36 119.74 120.06 1a5u s LYS 135 Ca 0.29 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.44 1a5u s LYS 135 Cb -0.06 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1a5u s LYS 135 CO 0.16 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 1a5u n GLY 136 N 3.05 1.02 3.88 5.54 0.00 0.23 -4.98 105.19 113.94 1a5u n GLY 136 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1a5u n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 137 N -2.99 3.06 -0.02 4.61 0.00 -1.21 -4.73 121.76 120.47 1a5u s ALA 137 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 1a5u s ALA 137 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1a5u s ALA 137 CO 0.00 -0.87 0.18 -0.08 0.00 0.00 0.00 175.76 174.99 1a5u s THR 138 N -3.20 5.43 -0.04 0.00 -1.32 -1.26 0.80 115.64 116.05 1a5u s THR 138 Ca 0.56 -0.12 -0.02 0.00 -1.21 0.00 0.00 61.69 60.89 1a5u s THR 138 Cb -0.11 -3.52 0.03 0.00 -1.51 0.00 0.00 72.50 67.39 1a5u s THR 138 CO 0.51 0.36 0.09 -0.22 -2.21 0.00 0.00 174.62 173.15 1a5u s LEU 139 N -1.84 1.14 -0.14 9.08 2.96 0.31 -4.82 118.68 125.37 1a5u s LEU 139 Ca 0.26 0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.32 1a5u s LEU 139 Cb -0.13 0.21 -0.03 0.00 0.50 0.00 0.00 46.19 46.75 1a5u s LEU 139 CO 0.17 -0.10 -0.03 -0.75 -1.32 0.00 0.00 176.35 174.32 1a5u s LYS 140 N 0.77 3.55 -0.23 1.98 2.20 -1.17 0.23 119.74 127.07 1a5u s LYS 140 Ca -0.06 -0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 54.98 1a5u s LYS 140 Cb -0.08 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.31 1a5u s LYS 140 CO -0.03 0.32 0.05 0.42 -0.36 0.00 0.00 175.35 175.75 1a5u s ILE 141 N 0.14 4.23 0.50 5.43 1.01 1.34 -0.76 121.20 133.09 1a5u s ILE 141 Ca -0.01 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.47 1a5u s ILE 141 Cb -0.14 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1a5u s ILE 141 CO 0.03 0.37 0.12 0.28 0.00 0.00 0.00 174.94 175.74 1a5u s THR 142 N 1.36 1.45 0.00 2.92 -1.32 -0.13 0.22 115.64 120.14 1a5u s THR 142 Ca 0.05 -1.85 0.00 0.00 -1.21 0.00 0.00 61.69 58.68 1a5u s THR 142 Cb -0.15 -2.29 0.00 0.00 -1.51 0.00 0.00 72.50 68.55 1a5u s THR 142 CO 0.03 0.00 0.57 0.18 -2.21 0.00 0.00 174.62 173.19 1a5u n LEU 143 N -1.36 0.95 -4.55 9.08 4.77 -1.08 -2.27 117.00 122.53 1a5u n LEU 143 Ca -0.12 -0.95 -0.32 0.00 -0.03 0.00 0.00 56.01 54.58 1a5u n LEU 143 Cb 0.66 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.71 1a5u n LEU 143 CO 0.40 0.24 1.63 -0.62 -1.33 0.00 0.00 177.39 177.70 1a5u s ASP 144 N -0.32 4.81 0.57 -1.43 2.15 -1.26 -4.77 116.67 116.42 1a5u s ASP 144 Ca 0.00 0.33 0.39 0.00 0.43 0.00 0.00 52.55 53.70 1a5u s ASP 144 Cb 0.00 -2.53 1.44 0.00 -0.30 0.00 0.00 42.92 41.53 1a5u s ASP 144 CO 0.00 -2.81 1.56 0.78 -0.17 0.00 0.00 175.17 174.54 1a5u h ASN 145 N 15.36 0.00 0.00 -0.34 -0.26 -1.94 0.91 115.58 129.30 1a5u h ASN 145 Ca -0.15 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.59 1a5u h ASN 145 Cb 1.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.40 1a5u h ASN 145 CO 1.17 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 177.54 1a5u n ALA 146 N -2.65 1.62 -0.93 -0.83 0.00 -1.26 0.16 120.51 116.63 1a5u n ALA 146 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1a5u n ALA 146 Cb 1.62 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1a5u n ALA 146 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a5u n TYR 147 N -0.63 0.00 -0.18 0.00 4.02 0.31 -4.81 117.16 115.88 1a5u n TYR 147 Ca 0.01 -0.01 -0.04 0.00 -0.01 0.00 0.00 57.90 57.84 1a5u n TYR 147 Cb 0.00 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.34 1a5u n TYR 147 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1a5u h MET 148 N 0.00 -0.13 -0.39 -0.72 4.05 -0.32 0.39 114.93 117.80 1a5u h MET 148 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1a5u h MET 148 Cb 0.67 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 1a5u h MET 148 CO 0.00 -0.09 0.00 0.39 0.23 0.00 0.00 176.91 177.44 1a5u n GLU 149 N -5.43 3.76 -1.04 0.39 1.02 -1.26 -1.46 120.64 116.62 1a5u n GLU 149 Ca 0.04 -2.98 -0.07 0.00 -0.02 0.00 0.00 57.16 54.13 1a5u n GLU 149 Cb 0.34 -2.02 0.16 0.00 -0.02 0.00 0.00 31.44 29.90 1a5u n GLU 149 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a5u n LYS 150 N -0.02 2.19 -2.63 3.49 4.76 0.12 -1.66 118.16 124.41 1a5u n LYS 150 Ca 0.24 -3.45 -0.35 0.00 -2.87 0.00 0.00 58.31 51.88 1a5u n LYS 150 Cb 1.02 -1.88 -0.05 0.00 -1.84 0.00 0.00 35.03 32.28 1a5u n LYS 150 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1a5u n ASP 152 N -0.49 -0.91 0.17 0.00 5.68 -0.63 -1.50 116.55 118.87 1a5u n ASP 152 Ca 0.07 -1.60 0.08 0.00 -0.50 0.00 0.00 54.79 52.84 1a5u n ASP 152 Cb 0.52 1.51 0.44 0.00 -1.14 0.00 0.00 41.12 42.45 1a5u n ASP 152 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1a5u h GLU 153 N 0.00 0.00 0.00 0.11 4.11 -1.95 -3.00 114.58 113.85 1a5u h GLU 153 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.30 1a5u h GLU 153 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1a5u h GLU 153 CO 0.17 0.00 -0.95 0.09 0.07 0.00 0.00 179.01 178.39 1a5u n ASN 154 N -2.14 4.74 -3.80 3.06 4.13 -1.26 -4.86 115.26 115.12 1a5u n ASN 154 Ca -0.01 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.03 1a5u n ASN 154 Cb 0.25 0.83 -0.17 0.00 -1.54 0.00 0.00 39.78 39.15 1a5u n ASN 154 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1a5u s ILE 155 N -1.91 0.42 -0.22 2.41 1.01 -1.13 -3.02 121.20 118.76 1a5u s ILE 155 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 1a5u s ILE 155 Cb 0.00 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.94 1a5u s ILE 155 CO 0.00 0.25 -0.09 -0.22 0.00 0.00 0.00 174.94 174.88 1a5u s LEU 156 N 1.68 2.82 -0.13 2.97 0.20 0.06 -1.60 118.68 124.66 1a5u s LEU 156 Ca 0.01 -0.66 -0.14 0.00 0.69 0.00 0.00 54.13 54.03 1a5u s LEU 156 Cb -0.13 -1.64 -0.05 0.00 -0.43 0.00 0.00 46.19 43.95 1a5u s LEU 156 CO -0.04 -0.06 0.33 0.86 -0.29 0.00 0.00 176.35 177.15 1a5u s TRP 157 N 1.37 3.50 0.36 5.38 -0.00 -1.26 -0.96 118.94 127.33 1a5u s TRP 157 Ca 0.03 0.68 0.08 0.00 -0.00 0.00 0.00 56.10 56.90 1a5u s TRP 157 Cb -0.15 -2.35 -0.05 0.00 -0.00 0.00 0.00 33.47 30.92 1a5u s TRP 157 CO -0.06 0.29 0.05 -0.51 -0.00 0.00 0.00 176.95 176.72 1a5u s LEU 158 N 0.26 3.02 0.00 5.86 1.02 -0.96 -1.78 118.68 126.10 1a5u s LEU 158 Ca 0.19 -1.02 0.15 0.00 0.02 0.00 0.00 54.13 53.47 1a5u s LEU 158 Cb -0.14 -1.36 0.36 0.00 0.02 0.00 0.00 46.19 45.07 1a5u s LEU 158 CO 0.06 -0.31 1.27 -0.90 0.02 0.00 0.00 176.35 176.49 1a5u n ASP 159 N -1.02 3.07 -4.21 2.29 5.75 -0.67 -4.72 116.55 117.04 1a5u n ASP 159 Ca -0.04 -1.91 -0.39 0.00 -0.01 0.00 0.00 54.79 52.44 1a5u n ASP 159 Cb 0.63 -0.25 -0.10 0.00 -1.03 0.00 0.00 41.12 40.37 1a5u n ASP 159 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1a5u s TYR 160 N -1.08 3.42 0.14 2.11 5.04 -1.26 -4.92 117.35 120.79 1a5u s TYR 160 Ca 0.29 -1.87 -0.20 0.00 -2.44 0.00 0.00 57.07 52.85 1a5u s TYR 160 Cb 0.16 -3.06 0.02 0.00 0.35 0.00 0.00 41.96 39.43 1a5u s TYR 160 CO 0.22 -0.91 1.68 0.87 -1.34 0.00 0.00 175.55 176.07 1a5u h LYS 161 N 8.28 -0.07 0.00 4.97 1.57 -2.00 -3.13 116.57 126.19 1a5u h LYS 161 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1a5u h LYS 161 Cb 1.07 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1a5u h LYS 161 CO 0.74 -0.05 0.00 0.09 -0.57 0.00 0.00 179.45 179.66 1a5u n ASN 162 N -5.27 0.00 -3.31 0.86 5.03 -1.26 -4.41 115.26 106.90 1a5u n ASN 162 Ca -0.01 -0.39 -0.35 0.00 0.87 0.00 0.00 54.58 54.70 1a5u n ASN 162 Cb 0.19 -0.04 -0.02 0.00 -1.02 0.00 0.00 39.78 38.88 1a5u n ASN 162 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a5u n ILE 163 N -1.04 3.67 0.00 2.41 3.06 -1.18 -0.72 119.36 125.55 1a5u n ILE 163 Ca 0.11 -2.27 0.00 0.00 -2.50 0.00 0.00 62.75 58.09 1a5u n ILE 163 Cb 0.06 -2.47 0.00 0.00 0.54 0.00 0.00 39.64 37.77 1a5u n ILE 163 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1a5u h LYS 165 N 0.00 0.66 0.00 0.00 3.64 -1.26 -3.31 116.57 116.30 1a5u h LYS 165 Ca 0.00 -0.76 0.00 0.00 -1.27 0.00 0.00 60.65 58.62 1a5u h LYS 165 Cb 0.22 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1a5u h LYS 165 CO 0.00 1.33 0.00 0.28 -2.27 0.00 0.00 179.45 178.79 1a5u h VAL 166 N 0.32 0.00 -3.27 2.00 2.07 -1.37 -3.45 116.25 112.56 1a5u h VAL 166 Ca -0.14 -0.65 -0.36 0.00 0.82 0.00 0.00 66.70 66.37 1a5u h VAL 166 Cb 1.74 1.62 -0.15 0.00 -1.52 0.00 0.00 31.29 32.98 1a5u h VAL 166 CO 0.21 0.00 -0.72 0.54 0.02 0.00 0.00 177.57 177.62 1a5u s VAL 167 N -3.40 1.29 0.30 2.57 0.11 -1.25 -4.50 120.40 115.53 1a5u s VAL 167 Ca 0.05 -2.10 0.03 0.00 -2.93 0.00 0.00 61.98 57.03 1a5u s VAL 167 Cb 0.08 -1.91 -0.06 0.00 -1.53 0.00 0.00 36.38 32.96 1a5u s VAL 167 CO 0.58 -0.70 0.07 -1.81 -3.33 0.00 0.00 175.10 169.91 1a5u s ASP 168 N -3.21 2.01 0.42 3.54 1.01 -1.26 -4.72 116.67 114.46 1a5u s ASP 168 Ca 0.18 -1.38 -0.25 0.00 0.71 0.00 0.00 52.55 51.81 1a5u s ASP 168 Cb 0.02 -0.01 -0.10 0.00 1.01 0.00 0.00 42.92 43.84 1a5u s ASP 168 CO 0.02 -0.64 1.24 0.52 0.21 0.00 0.00 175.17 176.52 1a5u n VAL 169 N -0.62 2.55 0.00 -1.27 0.31 -1.26 -1.23 118.33 116.82 1a5u n VAL 169 Ca -0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1a5u n VAL 169 Cb 0.66 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1a5u n VAL 169 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a5u n GLY 170 N 0.86 2.91 2.82 2.92 0.00 0.34 -4.98 105.19 110.06 1a5u n GLY 170 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1a5u n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a5u n SER 171 N 0.30 -3.46 -3.91 1.61 7.64 -0.36 -4.60 113.62 110.85 1a5u n SER 171 Ca 0.00 -0.59 -0.19 0.00 1.01 0.00 0.00 58.87 59.10 1a5u n SER 171 Cb 0.00 -0.80 -0.16 0.00 -1.01 0.00 0.00 64.21 62.25 1a5u n SER 171 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1a5u s LYS 172 N -4.09 0.70 -0.12 1.43 3.01 -1.25 -1.60 119.74 117.82 1a5u s LYS 172 Ca 0.45 -0.13 -0.01 0.00 -1.01 0.00 0.00 55.97 55.28 1a5u s LYS 172 Cb -0.08 -0.72 -0.02 0.00 -1.01 0.00 0.00 37.83 36.00 1a5u s LYS 172 CO 0.38 -0.02 -0.07 0.08 0.51 0.00 0.00 175.35 176.22 1a5u s VAL 173 N 0.62 3.59 -0.18 3.17 1.01 1.32 -4.83 120.40 125.10 1a5u s VAL 173 Ca -0.08 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1a5u s VAL 173 Cb -0.11 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1a5u s VAL 173 CO 0.00 0.54 -0.01 -0.31 0.00 0.00 0.00 175.10 175.32 1a5u s TYR 174 N -0.07 3.05 -0.15 5.22 2.02 -0.97 0.20 117.35 126.64 1a5u s TYR 174 Ca 0.00 -0.36 -0.00 0.00 -0.37 0.00 0.00 57.07 56.34 1a5u s TYR 174 Cb -0.13 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.38 1a5u s TYR 174 CO 0.03 -0.14 -0.13 0.08 -1.57 0.00 0.00 175.55 173.82 1a5u s VAL 175 N 0.74 2.92 -0.35 0.71 1.01 0.50 -0.64 120.40 125.29 1a5u s VAL 175 Ca -0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 1a5u s VAL 175 Cb -0.14 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1a5u s VAL 175 CO 0.02 0.51 0.41 -0.67 0.00 0.00 0.00 175.10 175.38 1a5u n ASP 176 N 3.86 -7.21 -3.44 3.32 -0.08 -0.41 0.11 116.55 112.69 1a5u n ASP 176 Ca -0.18 0.63 -0.23 0.00 -1.51 0.00 0.00 54.79 53.49 1a5u n ASP 176 Cb 0.52 -4.83 -0.04 0.00 2.34 0.00 0.00 41.12 39.11 1a5u n ASP 176 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1a5u n ASP 177 N -0.13 -1.33 0.00 1.67 8.00 -1.26 0.24 116.55 123.74 1a5u n ASP 177 Ca 0.08 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1a5u n ASP 177 Cb 0.32 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1a5u n ASP 177 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5u n GLY 178 N -0.78 0.71 0.23 0.44 0.00 -1.25 -4.73 105.19 99.81 1a5u n GLY 178 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1a5u n GLY 178 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a5u h LEU 179 N 0.00 -0.45 -8.90 0.99 5.85 0.39 -3.41 115.31 109.78 1a5u h LEU 179 Ca 0.00 0.01 -0.67 0.00 0.84 0.00 0.00 57.88 58.06 1a5u h LEU 179 Cb 0.00 0.12 -0.22 0.00 0.37 0.00 0.00 40.66 40.92 1a5u h LEU 179 CO 0.00 -0.31 -0.72 -0.63 -0.34 0.00 0.00 178.44 176.44 1a5u s ILE 180 N -6.06 3.45 -0.29 4.05 -1.09 0.30 -4.96 121.20 116.60 1a5u s ILE 180 Ca -0.16 -0.55 -0.01 0.00 -2.23 0.00 0.00 60.65 57.70 1a5u s ILE 180 Cb 0.04 -2.43 0.05 0.00 -1.58 0.00 0.00 42.46 38.54 1a5u s ILE 180 CO 0.63 0.56 -0.02 -0.55 -1.23 0.00 0.00 174.94 174.33 1a5u s SER 181 N -0.29 4.80 -0.11 3.58 0.15 -1.26 0.19 113.70 120.77 1a5u s SER 181 Ca 0.03 -1.27 -0.01 0.00 0.70 0.00 0.00 55.95 55.41 1a5u s SER 181 Cb -0.13 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.47 1a5u s SER 181 CO 0.03 -0.24 -0.05 -0.76 1.20 0.00 0.00 173.24 173.41 1a5u s LEU 182 N 1.24 3.23 -0.27 3.45 1.43 0.52 -1.92 118.68 126.36 1a5u s LEU 182 Ca -0.06 -0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1a5u s LEU 182 Cb -0.20 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1a5u s LEU 182 CO -0.02 0.28 0.14 -1.58 0.23 0.00 0.00 176.35 175.40 1a5u s GLN 183 N -0.33 3.81 0.03 1.70 0.74 -0.89 0.40 119.66 125.12 1a5u s GLN 183 Ca 0.05 -0.39 -0.33 0.00 0.05 0.00 0.00 55.36 54.74 1a5u s GLN 183 Cb -0.12 -3.51 -0.12 0.00 1.10 0.00 0.00 33.01 30.36 1a5u s GLN 183 CO 0.02 -0.19 1.82 0.28 -0.55 0.00 0.00 175.29 176.68 1a5u n VAL 184 N 5.00 0.43 -0.01 1.34 0.31 -0.63 -2.22 118.33 122.55 1a5u n VAL 184 Ca -0.15 -0.08 0.01 0.00 -0.01 0.00 0.00 64.34 64.11 1a5u n VAL 184 Cb 0.52 -1.93 -0.04 0.00 -0.91 0.00 0.00 33.84 31.48 1a5u n VAL 184 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1a5u n LYS 185 N 5.84 1.08 -3.71 5.55 5.02 0.16 -0.51 118.16 131.58 1a5u n LYS 185 Ca 0.20 -0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 56.33 1a5u n LYS 185 Cb 0.33 -1.12 -0.10 0.00 -0.02 0.00 0.00 35.03 34.12 1a5u n LYS 185 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1a5u s GLN 186 N -2.27 0.52 -0.06 1.97 -0.21 -0.49 -4.86 119.66 114.25 1a5u s GLN 186 Ca -0.02 0.70 0.01 0.00 0.02 0.00 0.00 55.36 56.06 1a5u s GLN 186 Cb 0.03 0.20 -0.03 0.00 1.00 0.00 0.00 33.01 34.21 1a5u s GLN 186 CO 0.20 -0.09 -0.05 0.15 -2.12 0.00 0.00 175.29 173.38 1a5u s LYS 187 N 0.54 2.76 0.27 2.91 1.02 -1.26 -2.10 119.74 123.88 1a5u s LYS 187 Ca -0.02 -0.55 0.07 0.00 0.02 0.00 0.00 55.97 55.48 1a5u s LYS 187 Cb -0.04 -2.62 -0.06 0.00 -0.52 0.00 0.00 37.83 34.59 1a5u s LYS 187 CO -0.03 0.66 -0.06 0.20 -0.92 0.00 0.00 175.35 175.20 1a5u s GLY 188 N -0.96 1.79 0.45 -3.33 0.00 0.22 -5.01 107.32 100.48 1a5u s GLY 188 Ca 0.14 -1.88 0.25 0.00 0.00 0.00 0.00 44.72 43.23 1a5u s GLY 188 CO 0.03 -1.83 1.80 -0.56 0.00 0.00 0.00 173.10 172.54 1a5u h PRO 189 N 2.30 0.00 -0.00 2.90 0.13 -1.99 -3.34 132.00 132.01 1a5u h PRO 189 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1a5u h PRO 189 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1a5u h PRO 189 CO 0.67 0.19 -0.00 -3.47 -0.23 0.00 0.00 178.00 175.15 1a5u n ASP 190 N -3.29 0.91 -3.73 1.44 2.03 -1.26 -4.98 116.55 107.67 1a5u n ASP 190 Ca 0.01 -0.95 -0.03 0.00 0.52 0.00 0.00 54.79 54.33 1a5u n ASP 190 Cb 0.44 0.15 -0.01 0.00 -0.72 0.00 0.00 41.12 40.98 1a5u n ASP 190 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1a5u s PHE 191 N -0.20 -0.11 -0.01 -0.67 -0.71 -1.25 -2.63 117.98 112.39 1a5u s PHE 191 Ca 0.01 -0.19 -0.06 0.00 -1.04 0.00 0.00 56.93 55.65 1a5u s PHE 191 Cb 0.01 0.64 0.00 0.00 -1.21 0.00 0.00 43.02 42.45 1a5u s PHE 191 CO 0.01 -0.80 0.12 -0.51 -1.34 0.00 0.00 175.22 172.71 1a5u s LEU 192 N -2.97 1.60 -0.32 -1.99 2.01 0.59 -0.61 118.68 116.99 1a5u s LEU 192 Ca 0.13 -0.11 -0.10 0.00 0.01 0.00 0.00 54.13 54.06 1a5u s LEU 192 Cb -0.01 0.57 -0.00 0.00 0.01 0.00 0.00 46.19 46.76 1a5u s LEU 192 CO 0.02 -0.28 0.16 -0.69 1.01 0.00 0.00 176.35 176.57 1a5u s VAL 193 N -1.02 4.58 0.45 -1.59 1.01 -0.89 0.40 120.40 123.34 1a5u s VAL 193 Ca -0.11 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1a5u s VAL 193 Cb -0.06 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1a5u s VAL 193 CO 0.01 0.03 0.03 0.42 0.00 0.00 0.00 175.10 175.59 1a5u s THR 194 N 1.60 1.74 -0.02 3.92 -4.23 0.62 0.37 115.64 119.65 1a5u s THR 194 Ca 0.04 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 58.64 1a5u s THR 194 Cb -0.17 -2.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 1a5u s THR 194 CO 0.06 0.00 -0.19 -0.70 -0.54 0.00 0.00 174.62 173.25 1a5u s GLU 195 N -3.79 1.56 -0.36 3.99 2.12 -0.94 0.11 118.70 121.39 1a5u s GLU 195 Ca 0.26 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.62 1a5u s GLU 195 Cb 0.07 -1.50 0.02 0.00 0.26 0.00 0.00 34.13 32.98 1a5u s GLU 195 CO 0.13 0.40 1.09 0.08 -0.54 0.00 0.00 175.26 176.43 1a5u s VAL 196 N -0.43 4.43 0.12 3.70 1.01 0.24 -2.10 120.40 127.37 1a5u s VAL 196 Ca 0.07 1.61 -0.02 0.00 0.00 0.00 0.00 61.98 63.64 1a5u s VAL 196 Cb -0.07 -4.46 -0.20 0.00 0.00 0.00 0.00 36.38 31.64 1a5u s VAL 196 CO -0.01 -0.61 1.28 -0.33 0.00 0.00 0.00 175.10 175.43 1a5u h GLU 197 N 8.38 0.29 -3.50 2.72 5.08 -1.67 0.67 114.58 126.55 1a5u h GLU 197 Ca -0.21 -0.37 -0.21 0.00 -1.00 0.00 0.00 59.36 57.57 1a5u h GLU 197 Cb 1.06 0.12 -0.27 0.00 0.50 0.00 0.00 28.75 30.15 1a5u h GLU 197 CO 1.06 1.09 -0.61 0.54 -1.00 0.00 0.00 179.01 180.08 1a5u s ASN 198 N -7.04 -0.09 1.16 1.42 2.20 -1.25 -4.68 114.94 106.65 1a5u s ASN 198 Ca -0.04 0.19 -0.17 0.00 -0.94 0.00 0.00 52.86 51.90 1a5u s ASN 198 Cb 0.09 0.18 0.26 0.00 -2.00 0.00 0.00 41.25 39.79 1a5u s ASN 198 CO 0.86 -0.04 1.09 -0.83 -2.94 0.00 0.00 177.10 175.24 1a5u s GLY 199 N 0.11 1.56 0.00 0.45 0.00 -1.26 -4.63 107.32 103.55 1a5u s GLY 199 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1a5u s GLY 199 CO -0.00 0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.79 1a5u n GLY 200 N -0.74 0.28 0.00 0.20 0.00 -0.82 -4.93 105.19 99.19 1a5u n GLY 200 Ca 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1a5u n GLY 200 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a5u n PHE 201 N -1.35 -1.36 -3.25 1.61 3.01 -1.25 0.34 117.46 115.20 1a5u n PHE 201 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 1a5u n PHE 201 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 1a5u n PHE 201 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1a5u s LEU 202 N 0.00 -0.44 0.68 4.37 2.96 0.15 -4.38 118.68 122.03 1a5u s LEU 202 Ca 0.00 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 1a5u s LEU 202 Cb 0.00 1.44 0.11 0.00 0.50 0.00 0.00 46.19 48.24 1a5u s LEU 202 CO 0.00 -0.08 0.94 -0.83 -1.32 0.00 0.00 176.35 175.06 1a5u s GLY 203 N 2.58 1.77 -0.04 7.98 0.00 -1.26 -1.75 107.32 116.60 1a5u s GLY 203 Ca -0.01 -1.74 -0.14 0.00 0.00 0.00 0.00 44.72 42.83 1a5u s GLY 203 CO -0.15 -1.22 0.37 -0.56 0.00 0.00 0.00 173.10 171.55 1a5u s SER 204 N -4.69 6.72 -1.18 1.64 0.01 -1.23 -4.36 113.70 110.61 1a5u s SER 204 Ca 0.65 0.85 -0.07 0.00 1.31 0.00 0.00 55.95 58.69 1a5u s SER 204 Cb -0.06 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.95 1a5u s SER 204 CO 0.43 0.28 1.03 0.29 0.41 0.00 0.00 173.24 175.68 1a5u n LYS 205 N 2.19 -6.89 -2.75 12.44 5.02 0.31 -4.94 118.16 123.53 1a5u n LYS 205 Ca -0.14 0.73 -0.30 0.00 -2.02 0.00 0.00 58.31 56.59 1a5u n LYS 205 Cb 0.52 -5.48 -0.03 0.00 -0.02 0.00 0.00 35.03 30.03 1a5u n LYS 205 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a5u s LYS 206 N -6.04 3.75 0.17 1.97 -0.14 -1.26 -4.60 119.74 113.59 1a5u s LYS 206 Ca 0.45 0.47 -0.29 0.00 -1.36 0.00 0.00 55.97 55.25 1a5u s LYS 206 Cb -0.20 -2.36 -0.08 0.00 -1.68 0.00 0.00 37.83 33.51 1a5u s LYS 206 CO 0.64 -0.10 0.89 0.20 -0.76 0.00 0.00 175.35 176.23 1a5u s GLY 207 N -3.34 3.02 -0.14 -3.33 0.00 -1.26 -0.96 107.32 101.31 1a5u s GLY 207 Ca 0.51 0.52 -0.03 0.00 0.00 0.00 0.00 44.72 45.72 1a5u s GLY 207 CO 0.34 1.18 -0.02 0.14 0.00 0.00 0.00 173.10 174.74 1a5u s VAL 208 N -0.76 4.03 -0.06 1.40 1.01 0.54 -1.29 120.40 125.27 1a5u s VAL 208 Ca 0.41 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1a5u s VAL 208 Cb -0.24 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1a5u s VAL 208 CO 0.29 0.51 -0.12 0.20 0.00 0.00 0.00 175.10 175.99 1a5u s ASN 209 N 0.09 1.74 -0.65 3.32 0.01 0.19 -4.19 114.94 115.45 1a5u s ASN 209 Ca 0.00 -0.29 0.05 0.00 -0.71 0.00 0.00 52.86 51.91 1a5u s ASN 209 Cb -0.13 -0.76 0.18 0.00 0.41 0.00 0.00 41.25 40.96 1a5u s ASN 209 CO 0.02 0.04 0.52 0.18 -1.51 0.00 0.00 177.10 176.35 1a5u n LEU 210 N 3.72 2.58 -4.59 0.60 7.99 -1.26 -2.29 117.00 123.74 1a5u n LEU 210 Ca -0.22 -5.12 -0.44 0.00 -0.01 0.00 0.00 56.01 50.22 1a5u n LEU 210 Cb 0.52 -0.52 -0.03 0.00 -0.11 0.00 0.00 43.42 43.27 1a5u n LEU 210 CO 0.25 1.83 1.84 -0.81 -1.51 0.00 0.00 177.39 178.99 1a5u n PRO 211 N 1.89 1.95 0.00 3.23 -0.04 -1.26 -0.66 135.00 140.11 1a5u n PRO 211 Ca 0.23 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1a5u n PRO 211 Cb 0.38 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 1a5u n PRO 211 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a5u n GLY 212 N 5.75 2.71 3.57 0.55 0.00 -1.26 -5.09 105.19 111.43 1a5u n GLY 212 Ca 0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 1a5u n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 213 N -2.50 0.41 -0.71 4.61 0.00 0.17 -4.96 121.76 118.78 1a5u s ALA 213 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.23 1a5u s ALA 213 Cb 0.00 -3.35 0.33 0.00 0.00 0.00 0.00 23.12 20.10 1a5u s ALA 213 CO 0.00 -3.37 1.16 0.00 0.00 0.00 0.00 175.76 173.56 1a5u n ALA 214 N -4.62 5.00 -1.87 0.00 0.00 -1.26 -5.02 120.51 112.74 1a5u n ALA 214 Ca 0.07 -4.69 -0.41 0.00 0.00 0.00 0.00 53.44 48.41 1a5u n ALA 214 Cb 0.53 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 1a5u n ALA 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1a5u s VAL 215 N -4.26 3.36 -0.66 0.00 -7.23 -1.26 -4.96 120.40 105.39 1a5u s VAL 215 Ca 0.45 1.28 -0.04 0.00 -1.81 0.00 0.00 61.98 61.86 1a5u s VAL 215 Cb 0.24 -3.82 0.17 0.00 0.56 0.00 0.00 36.38 33.54 1a5u s VAL 215 CO -0.12 0.27 0.49 1.51 -0.31 0.00 0.00 175.10 176.94 1a5u s ASP 216 N -0.43 5.46 -0.10 4.85 1.47 -1.26 -5.05 116.67 121.60 1a5u s ASP 216 Ca 0.48 -2.84 0.01 0.00 1.18 0.00 0.00 52.55 51.39 1a5u s ASP 216 Cb -0.34 -1.91 -0.02 0.00 -0.34 0.00 0.00 42.92 40.32 1a5u s ASP 216 CO 0.42 -0.40 -0.14 -0.76 0.68 0.00 0.00 175.17 174.97 1a5u s LEU 217 N -0.04 2.70 0.60 2.11 1.43 -1.26 -5.09 118.68 119.13 1a5u s LEU 217 Ca 0.17 -0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 1a5u s LEU 217 Cb -0.19 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1a5u s LEU 217 CO -0.04 0.22 1.04 -0.81 0.23 0.00 0.00 176.35 176.99 1a5u n PRO 218 N 3.13 1.01 0.13 1.29 -0.04 -1.26 -4.87 135.00 134.40 1a5u n PRO 218 Ca -0.18 0.39 -0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1a5u n PRO 218 Cb 0.53 -2.24 0.28 0.00 -0.04 0.00 0.00 33.50 32.02 1a5u n PRO 218 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5u h ALA 219 N 0.62 1.23 -3.06 0.55 0.00 -1.99 -3.36 119.26 113.25 1a5u h ALA 219 Ca -0.49 -0.38 -0.61 0.00 0.00 0.00 0.00 54.91 53.43 1a5u h ALA 219 Cb 1.35 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.66 1a5u h ALA 219 CO 0.52 0.54 -0.74 0.08 0.00 0.00 0.00 179.25 179.65 1a5u s VAL 220 N -4.16 1.39 1.03 0.00 1.01 -1.26 -4.54 120.40 113.86 1a5u s VAL 220 Ca -0.04 -2.38 -0.22 0.00 0.00 0.00 0.00 61.98 59.35 1a5u s VAL 220 Cb 0.14 -1.99 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 1a5u s VAL 220 CO 0.75 -0.84 -0.78 -1.20 0.00 0.00 0.00 175.10 173.03 1a5u n SER 221 N 3.78 -3.35 -0.05 3.32 7.64 -1.26 -4.75 113.62 118.94 1a5u n SER 221 Ca 0.07 0.04 -0.15 0.00 1.01 0.00 0.00 58.87 59.83 1a5u n SER 221 Cb 0.36 -0.75 -0.07 0.00 -1.01 0.00 0.00 64.21 62.74 1a5u n SER 221 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1a5u h GLU 222 N -1.35 0.62 -0.28 1.43 5.08 -2.00 -2.80 114.58 115.28 1a5u h GLU 222 Ca -0.44 -0.42 0.05 0.00 -1.00 0.00 0.00 59.36 57.54 1a5u h GLU 222 Cb 1.36 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.62 1a5u h GLU 222 CO 0.27 1.04 -0.03 0.87 -1.00 0.00 0.00 179.01 180.17 1a5u h LYS 223 N 0.29 0.04 -0.78 2.33 1.57 -1.99 -1.54 116.57 116.50 1a5u h LYS 223 Ca -0.00 -0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 1a5u h LYS 223 Cb 1.05 -0.01 -0.12 0.00 0.08 0.00 0.00 32.23 33.23 1a5u h LYS 223 CO 0.10 0.03 0.16 -0.44 -0.57 0.00 0.00 179.45 178.73 1a5u h ASP 224 N 0.05 -0.05 -0.50 0.86 3.32 -1.83 1.18 116.42 119.44 1a5u h ASP 224 Ca 0.14 0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 1a5u h ASP 224 Cb 0.19 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1a5u h ASP 224 CO -0.26 -0.09 0.08 0.40 -1.72 0.00 0.00 179.24 177.65 1a5u h ILE 225 N 0.22 1.24 0.73 0.35 2.04 -1.14 0.80 117.51 121.76 1a5u h ILE 225 Ca 0.45 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1a5u h ILE 225 Cb 0.82 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1a5u h ILE 225 CO -0.58 0.35 -0.46 1.56 0.00 0.00 0.00 178.15 179.02 1a5u h GLN 226 N 0.84 -1.08 -0.72 2.37 4.20 0.17 0.42 115.11 121.32 1a5u h GLN 226 Ca 0.17 0.07 0.11 0.00 0.06 0.00 0.00 58.65 59.07 1a5u h GLN 226 Cb 0.39 0.24 -0.08 0.00 0.30 0.00 0.00 27.48 28.34 1a5u h GLN 226 CO 0.01 -0.72 0.33 -0.44 -0.67 0.00 0.00 178.83 177.34 1a5u h ASP 227 N -1.12 0.39 0.07 1.46 3.32 0.12 -0.52 116.42 120.14 1a5u h ASP 227 Ca -0.10 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1a5u h ASP 227 Cb 0.90 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1a5u h ASP 227 CO 0.09 0.20 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.63 1a5u h LEU 228 N 0.54 -0.29 -1.60 1.55 3.38 0.11 -0.69 115.31 118.31 1a5u h LEU 228 Ca 0.37 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 1a5u h LEU 228 Cb 0.46 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1a5u h LEU 228 CO -0.32 -0.16 -0.16 0.11 0.09 0.00 0.00 178.44 178.00 1a5u h LYS 229 N -0.22 0.00 -0.24 1.13 1.79 0.44 -2.31 116.57 117.16 1a5u h LYS 229 Ca 0.02 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 1a5u h LYS 229 Cb 0.23 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1a5u h LYS 229 CO -0.05 0.16 -0.29 0.35 -1.08 0.00 0.00 179.45 178.54 1a5u h PHE 230 N 0.00 0.76 -0.38 -1.35 3.57 -0.55 -0.59 116.94 118.40 1a5u h PHE 230 Ca -0.00 -0.24 0.05 0.00 3.53 0.00 0.00 57.97 61.31 1a5u h PHE 230 Cb 0.50 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1a5u h PHE 230 CO 0.00 0.97 0.26 0.78 -2.23 0.00 0.00 178.31 178.09 1a5u h GLY 231 N 0.33 0.37 1.37 2.40 0.00 -0.70 0.80 103.07 107.65 1a5u h GLY 231 Ca 0.03 -0.12 -0.24 0.00 0.00 0.00 0.00 47.33 47.00 1a5u h GLY 231 CO 0.07 0.10 -0.93 -2.08 0.00 0.00 0.00 176.54 173.70 1a5u h VAL 232 N 0.31 1.33 -0.95 4.60 2.07 -0.97 -1.83 116.25 120.81 1a5u h VAL 232 Ca 0.17 -2.26 0.06 0.00 0.82 0.00 0.00 66.70 65.48 1a5u h VAL 232 Cb 0.27 2.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 1a5u h VAL 232 CO -0.04 0.69 0.62 -0.33 0.02 0.00 0.00 177.57 178.53 1a5u h GLU 233 N 0.35 1.09 -0.00 1.57 5.08 0.11 -1.63 114.58 121.16 1a5u h GLU 233 Ca -0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1a5u h GLU 233 Cb 1.56 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1a5u h GLU 233 CO 0.17 0.72 -0.00 1.04 -1.00 0.00 0.00 179.01 179.94 1a5u n GLN 234 N -4.48 0.65 -3.54 2.33 1.13 0.24 -4.93 117.38 108.78 1a5u n GLN 234 Ca 0.14 -0.01 -0.21 0.00 -1.94 0.00 0.00 57.00 54.97 1a5u n GLN 234 Cb 0.16 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.09 1a5u n GLN 234 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a5u n ASP 235 N -1.17 -4.64 -4.63 1.08 -0.08 -0.61 -4.96 116.55 101.55 1a5u n ASP 235 Ca 0.18 -0.58 -0.29 0.00 -1.51 0.00 0.00 54.79 52.59 1a5u n ASP 235 Cb 0.19 -5.03 0.19 0.00 2.34 0.00 0.00 41.12 38.81 1a5u n ASP 235 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1a5u s VAL 236 N -3.34 2.18 -0.20 5.18 -7.23 -0.73 -4.96 120.40 111.30 1a5u s VAL 236 Ca 0.36 0.06 0.14 0.00 -1.81 0.00 0.00 61.98 60.72 1a5u s VAL 236 Cb -0.16 -2.40 -0.23 0.00 0.56 0.00 0.00 36.38 34.15 1a5u s VAL 236 CO 0.73 -0.08 0.05 0.47 -0.31 0.00 0.00 175.10 175.97 1a5u n ASP 237 N -4.35 0.55 -3.80 4.85 8.00 -0.30 -4.89 116.55 116.61 1a5u n ASP 237 Ca 0.05 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.46 1a5u n ASP 237 Cb 0.56 0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 42.18 1a5u n ASP 237 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5u s MET 238 N -2.51 1.29 -0.08 -1.24 0.23 -1.16 -2.66 119.30 113.17 1a5u s MET 238 Ca -0.15 -0.95 0.04 0.00 -1.03 0.00 0.00 55.69 53.59 1a5u s MET 238 Cb 0.07 0.47 0.00 0.00 -1.53 0.00 0.00 34.83 33.84 1a5u s MET 238 CO 0.78 -0.52 -0.21 0.08 -2.03 0.00 0.00 175.02 173.11 1a5u s VAL 239 N -3.90 1.79 -0.55 5.16 1.01 0.83 -2.23 120.40 122.52 1a5u s VAL 239 Ca 0.11 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 1a5u s VAL 239 Cb 0.01 -1.55 0.14 0.00 0.00 0.00 0.00 36.38 34.97 1a5u s VAL 239 CO -0.03 0.50 0.46 -0.36 0.00 0.00 0.00 175.10 175.68 1a5u s PHE 240 N 0.28 3.39 -0.83 5.22 0.08 0.11 -0.45 117.98 125.77 1a5u s PHE 240 Ca -0.14 -1.68 -0.24 0.00 0.12 0.00 0.00 56.93 54.99 1a5u s PHE 240 Cb -0.16 -3.65 0.05 0.00 -0.57 0.00 0.00 43.02 38.69 1a5u s PHE 240 CO 0.06 -1.00 1.27 0.00 -0.10 0.00 0.00 175.22 175.45 1a5u s ALA 241 N 1.26 2.85 0.63 5.36 0.00 -0.83 -1.14 121.76 129.90 1a5u s ALA 241 Ca 0.06 -1.85 -0.19 0.00 0.00 0.00 0.00 51.96 49.99 1a5u s ALA 241 Cb -0.26 -4.26 -0.02 0.00 0.00 0.00 0.00 23.12 18.58 1a5u s ALA 241 CO -0.00 -3.28 1.29 0.43 0.00 0.00 0.00 175.76 174.19 1a5u n SER 242 N 8.71 2.11 -4.35 0.00 7.64 -1.26 -0.39 113.62 126.07 1a5u n SER 242 Ca 0.13 0.85 -0.37 0.00 1.01 0.00 0.00 58.87 60.49 1a5u n SER 242 Cb 0.49 -1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.08 1a5u n SER 242 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1a5u n PHE 243 N -1.78 -1.40 -2.15 1.43 3.72 -1.21 -4.72 117.46 111.34 1a5u n PHE 243 Ca 0.15 0.71 -0.42 0.00 -0.05 0.00 0.00 57.45 57.85 1a5u n PHE 243 Cb 0.47 -2.54 -0.03 0.00 -0.94 0.00 0.00 39.48 36.45 1a5u n PHE 243 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1a5u s ILE 244 N -3.55 3.09 -0.01 4.37 -1.09 -0.75 -4.85 121.20 118.40 1a5u s ILE 244 Ca 0.57 0.87 0.03 0.00 -2.23 0.00 0.00 60.65 59.89 1a5u s ILE 244 Cb -0.32 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 36.95 1a5u s ILE 244 CO 0.98 0.12 0.06 0.54 -1.23 0.00 0.00 174.94 175.40 1a5u n ARG 245 N 2.89 0.94 -3.76 2.79 1.74 -1.26 -4.42 116.66 115.58 1a5u n ARG 245 Ca 0.08 -0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 1a5u n ARG 245 Cb 0.42 -1.08 -0.04 0.00 -1.02 0.00 0.00 32.46 30.74 1a5u n ARG 245 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1a5u s LYS 246 N -2.19 1.39 0.53 5.56 -2.85 -1.26 -4.42 119.74 116.50 1a5u s LYS 246 Ca -0.01 -0.90 0.20 0.00 -1.00 0.00 0.00 55.97 54.26 1a5u s LYS 246 Cb 0.02 0.52 1.36 0.00 -2.06 0.00 0.00 37.83 37.67 1a5u s LYS 246 CO 0.13 -0.59 2.13 0.00 0.10 0.00 0.00 175.35 177.13 1a5u h ALA 247 N 2.21 2.04 -0.28 0.59 0.00 -1.87 -1.44 119.26 120.51 1a5u h ALA 247 Ca -0.28 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1a5u h ALA 247 Cb 1.26 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1a5u h ALA 247 CO 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1a5u h ALA 248 N 1.94 0.25 -0.82 0.00 0.00 -1.94 -1.39 119.26 117.30 1a5u h ALA 248 Ca 0.05 0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.19 1a5u h ALA 248 Cb 0.21 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 1a5u h ALA 248 CO -0.00 -0.41 0.38 -0.44 0.00 0.00 0.00 179.25 178.78 1a5u h ASP 249 N 0.09 0.40 -0.27 0.00 3.32 -1.65 -0.98 116.42 117.33 1a5u h ASP 249 Ca 0.13 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1a5u h ASP 249 Cb 0.17 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1a5u h ASP 249 CO -0.22 0.14 0.16 0.58 -1.72 0.00 0.00 179.24 178.19 1a5u h VAL 250 N 0.52 1.10 -0.15 -1.35 2.07 -1.18 -2.80 116.25 114.47 1a5u h VAL 250 Ca 0.46 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 1a5u h VAL 250 Cb 0.70 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1a5u h VAL 250 CO -0.40 0.10 -0.00 0.45 0.02 0.00 0.00 177.57 177.73 1a5u h HIS 251 N 0.34 0.21 0.69 1.57 3.86 -0.52 -2.25 115.15 119.04 1a5u h HIS 251 Ca 0.10 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1a5u h HIS 251 Cb 0.02 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 28.43 1a5u h HIS 251 CO -0.04 0.23 -0.33 0.93 0.86 0.00 0.00 177.93 179.57 1a5u h GLU 252 N 0.21 -0.89 -1.04 2.45 5.08 -1.14 -0.26 114.58 118.99 1a5u h GLU 252 Ca 0.05 0.06 0.29 0.00 -1.00 0.00 0.00 59.36 58.76 1a5u h GLU 252 Cb 0.15 0.20 -0.13 0.00 0.50 0.00 0.00 28.75 29.48 1a5u h GLU 252 CO 0.00 -0.60 0.62 0.28 -1.00 0.00 0.00 179.01 178.32 1a5u h VAL 253 N -1.03 0.43 -0.39 3.13 2.07 -1.33 2.28 116.25 121.41 1a5u h VAL 253 Ca -0.09 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 1a5u h VAL 253 Cb 0.71 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1a5u h VAL 253 CO 0.16 0.08 -0.16 -0.09 0.02 0.00 0.00 177.57 177.57 1a5u h ARG 254 N 0.42 0.74 0.13 1.57 9.65 -1.34 -1.02 114.38 124.53 1a5u h ARG 254 Ca 0.68 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 59.28 1a5u h ARG 254 Cb 1.53 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 30.06 1a5u h ARG 254 CO -0.47 0.86 -0.06 -0.22 2.80 0.00 0.00 179.97 182.87 1a5u h LYS 255 N 0.66 -0.17 -0.09 0.20 3.64 0.55 -0.63 116.57 120.73 1a5u h LYS 255 Ca 0.10 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1a5u h LYS 255 Cb 0.64 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.45 1a5u h LYS 255 CO 0.05 0.05 -0.24 0.82 -2.27 0.00 0.00 179.45 177.85 1a5u h ILE 256 N -0.37 0.43 -0.94 2.00 1.08 -0.60 -0.42 117.51 118.69 1a5u h ILE 256 Ca -0.02 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.67 1a5u h ILE 256 Cb 0.30 0.43 -0.07 0.00 -3.07 0.00 0.00 36.82 34.41 1a5u h ILE 256 CO 0.03 0.00 0.62 -0.07 -0.69 0.00 0.00 178.15 178.04 1a5u h LEU 257 N -0.32 0.41 0.00 1.44 4.07 -1.11 -3.46 115.31 116.33 1a5u h LEU 257 Ca 0.09 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1a5u h LEU 257 Cb 0.45 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1a5u h LEU 257 CO -0.28 0.15 0.00 0.61 -1.08 0.00 0.00 178.44 177.84 1a5u n GLY 258 N -1.51 0.80 0.35 0.83 0.00 -0.17 -2.02 105.19 103.47 1a5u n GLY 258 Ca 0.21 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1a5u n GLY 258 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a5u h GLU 259 N 0.00 -0.68 -1.42 1.61 4.39 -1.87 -2.24 114.58 114.37 1a5u h GLU 259 Ca 0.00 0.05 0.41 0.00 0.34 0.00 0.00 59.36 60.16 1a5u h GLU 259 Cb 0.00 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 1a5u h GLU 259 CO 0.00 -0.45 1.29 -0.22 -1.16 0.00 0.00 179.01 178.46 1a5u h LYS 260 N -0.71 0.00 0.00 2.33 3.64 -1.96 0.38 116.57 120.25 1a5u h LYS 260 Ca -0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1a5u h LYS 260 Cb 0.62 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 1a5u h LYS 260 CO -0.05 0.00 -0.35 0.41 -2.27 0.00 0.00 179.45 177.19 1a5u n GLY 261 N -1.80 4.19 0.34 5.01 0.00 -0.86 -4.78 105.19 107.28 1a5u n GLY 261 Ca 0.32 -1.07 0.18 0.00 0.00 0.00 0.00 46.02 45.45 1a5u n GLY 261 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a5u h LYS 262 N 0.50 0.00 -0.01 1.61 2.10 0.37 0.11 116.57 121.26 1a5u h LYS 262 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1a5u h LYS 262 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1a5u h LYS 262 CO 0.01 0.00 -0.45 0.09 -2.00 0.00 0.00 179.45 177.10 1a5u n ASN 263 N -3.20 1.31 -4.78 7.07 5.03 -1.26 -4.92 115.26 114.51 1a5u n ASN 263 Ca -0.01 -1.04 -0.34 0.00 0.87 0.00 0.00 54.58 54.06 1a5u n ASN 263 Cb 0.30 0.37 0.01 0.00 -1.02 0.00 0.00 39.78 39.45 1a5u n ASN 263 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a5u s ILE 264 N -2.62 3.29 -0.20 2.41 -1.09 0.02 -4.99 121.20 118.03 1a5u s ILE 264 Ca 0.19 0.72 -0.06 0.00 -2.23 0.00 0.00 60.65 59.26 1a5u s ILE 264 Cb 0.18 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 1a5u s ILE 264 CO 0.60 -0.26 0.02 -0.54 -1.23 0.00 0.00 174.94 173.54 1a5u s LYS 265 N -3.61 3.71 -0.38 2.79 -0.14 -1.09 -4.96 119.74 116.05 1a5u s LYS 265 Ca 0.70 -0.47 -0.19 0.00 -1.36 0.00 0.00 55.97 54.64 1a5u s LYS 265 Cb -0.22 -3.13 0.01 0.00 -1.68 0.00 0.00 37.83 32.81 1a5u s LYS 265 CO 0.32 0.06 0.56 0.42 -0.76 0.00 0.00 175.35 175.95 1a5u s ILE 266 N 0.89 4.95 -0.43 2.17 1.01 -1.26 -0.12 121.20 128.41 1a5u s ILE 266 Ca 0.02 0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.80 1a5u s ILE 266 Cb -0.14 -4.06 0.09 0.00 0.01 0.00 0.00 42.46 38.36 1a5u s ILE 266 CO 0.02 -0.36 0.27 -0.63 0.00 0.00 0.00 174.94 174.24 1a5u s ILE 267 N 2.53 4.22 0.08 2.92 1.09 0.40 -0.11 121.20 132.32 1a5u s ILE 267 Ca 0.20 -1.47 -0.31 0.00 -1.10 0.00 0.00 60.65 57.97 1a5u s ILE 267 Cb -0.15 -3.62 -0.08 0.00 -1.06 0.00 0.00 42.46 37.56 1a5u s ILE 267 CO 0.15 -0.55 1.47 -0.44 -0.10 0.00 0.00 174.94 175.47 1a5u s SER 268 N 2.21 6.75 -0.28 3.58 0.01 -0.50 -1.97 113.70 123.50 1a5u s SER 268 Ca 0.04 2.33 -0.18 0.00 1.31 0.00 0.00 55.95 59.44 1a5u s SER 268 Cb -0.24 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.40 1a5u s SER 268 CO 0.02 -0.75 0.53 -0.54 0.41 0.00 0.00 173.24 172.91 1a5u s LYS 269 N 1.85 3.97 -0.47 12.44 1.02 0.48 -0.26 119.74 138.77 1a5u s LYS 269 Ca 0.67 0.24 -0.20 0.00 0.02 0.00 0.00 55.97 56.70 1a5u s LYS 269 Cb -0.37 -3.69 0.04 0.00 -0.52 0.00 0.00 37.83 33.29 1a5u s LYS 269 CO 0.30 -0.43 0.63 0.42 -0.92 0.00 0.00 175.35 175.35 1a5u s ILE 270 N 2.37 4.85 0.00 2.17 -1.09 -0.16 -1.82 121.20 127.52 1a5u s ILE 270 Ca 0.21 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 1a5u s ILE 270 Cb -0.15 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 1a5u s ILE 270 CO 0.10 -0.69 0.64 -1.84 -1.23 0.00 0.00 174.94 171.91 1a5u n GLU 271 N 6.23 1.04 -4.14 2.79 0.28 -1.26 -2.03 120.64 123.55 1a5u n GLU 271 Ca -0.04 -0.82 -0.11 0.00 -0.16 0.00 0.00 57.16 56.03 1a5u n GLU 271 Cb 0.47 -0.73 -0.09 0.00 1.43 0.00 0.00 31.44 32.51 1a5u n GLU 271 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a5u s ASN 272 N -0.38 0.17 0.21 -1.84 2.20 -1.26 -2.37 114.94 111.67 1a5u s ASN 272 Ca 0.00 -1.23 -0.09 0.00 -0.94 0.00 0.00 52.86 50.60 1a5u s ASN 272 Cb 0.00 0.38 0.27 0.00 -2.00 0.00 0.00 41.25 39.89 1a5u s ASN 272 CO 0.00 -0.84 1.78 -0.74 -2.94 0.00 0.00 177.10 174.37 1a5u h HIS 273 N 2.66 0.58 -0.80 1.54 -0.00 -1.93 -1.59 115.15 115.60 1a5u h HIS 273 Ca -0.34 0.03 0.08 0.00 -0.00 0.00 0.00 60.37 60.13 1a5u h HIS 273 Cb 1.23 -0.16 -0.07 0.00 -0.00 0.00 0.00 27.41 28.41 1a5u h HIS 273 CO 0.39 0.23 0.47 1.49 -0.00 0.00 0.00 177.93 180.51 1a5u h GLU 274 N 0.57 0.79 -0.54 5.26 4.57 -1.96 0.30 114.58 123.58 1a5u h GLU 274 Ca 0.31 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1a5u h GLU 274 Cb 0.28 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1a5u h GLU 274 CO -0.23 0.52 0.34 0.78 -1.18 0.00 0.00 179.01 179.24 1a5u h GLY 275 N 0.82 0.76 0.89 1.92 0.00 -1.58 1.41 103.07 107.29 1a5u h GLY 275 Ca 0.37 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1a5u h GLY 275 CO -0.22 0.25 -0.34 -2.08 0.00 0.00 0.00 176.54 174.15 1a5u h VAL 276 N 0.70 0.22 -0.62 4.60 2.07 -0.46 -1.61 116.25 121.15 1a5u h VAL 276 Ca 0.20 -0.16 0.12 0.00 0.82 0.00 0.00 66.70 67.68 1a5u h VAL 276 Cb -0.05 0.26 -0.12 0.00 -1.52 0.00 0.00 31.29 29.86 1a5u h VAL 276 CO -0.06 0.02 -0.27 -0.09 0.02 0.00 0.00 177.57 177.19 1a5u h ARG 277 N -1.08 -0.10 -0.86 1.57 2.43 -0.03 0.25 114.38 116.56 1a5u h ARG 277 Ca -0.10 0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.86 1a5u h ARG 277 Cb 0.76 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.20 1a5u h ARG 277 CO 0.16 -0.07 0.28 0.54 -1.51 0.00 0.00 179.97 179.37 1a5u n ARG 278 N -5.44 2.83 -0.30 0.20 1.74 0.48 -4.68 116.66 111.48 1a5u n ARG 278 Ca 0.06 -2.32 -0.03 0.00 -0.77 0.00 0.00 57.85 54.79 1a5u n ARG 278 Cb 0.35 -1.97 0.02 0.00 -1.02 0.00 0.00 32.46 29.84 1a5u n ARG 278 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1a5u h PHE 279 N 1.75 -1.06 -0.16 -1.55 3.57 0.54 -2.60 116.94 117.42 1a5u h PHE 279 Ca 0.27 0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.91 1a5u h PHE 279 Cb 2.07 0.58 -0.06 0.00 2.79 0.00 0.00 35.95 41.33 1a5u h PHE 279 CO 1.04 -0.40 -0.19 -0.44 -2.23 0.00 0.00 178.31 176.09 1a5u h ASP 280 N -0.08 -0.61 0.14 0.41 3.32 -1.83 -1.15 116.42 116.63 1a5u h ASP 280 Ca 0.29 0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.38 1a5u h ASP 280 Cb 0.57 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1a5u h ASP 280 CO -0.85 -0.24 -0.25 1.05 -1.72 0.00 0.00 179.24 177.23 1a5u h GLU 281 N -0.23 0.19 -0.03 3.56 4.11 -1.87 -1.45 114.58 118.85 1a5u h GLU 281 Ca 0.11 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.48 1a5u h GLU 281 Cb 0.39 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1a5u h GLU 281 CO -0.30 0.43 0.01 0.82 0.07 0.00 0.00 179.01 180.04 1a5u h ILE 282 N 0.17 1.19 -0.42 -1.06 2.04 -1.11 -2.90 117.51 115.42 1a5u h ILE 282 Ca 0.03 -0.56 0.07 0.00 1.00 0.00 0.00 64.86 65.40 1a5u h ILE 282 Cb 0.54 1.50 -0.09 0.00 -0.74 0.00 0.00 36.82 38.03 1a5u h ILE 282 CO 0.04 0.15 -0.45 0.25 0.00 0.00 0.00 178.15 178.14 1a5u h LEU 283 N -0.17 -1.50 -2.55 1.44 7.12 -0.68 0.38 115.31 119.36 1a5u h LEU 283 Ca 0.01 0.22 0.00 0.00 0.13 0.00 0.00 57.88 58.24 1a5u h LEU 283 Cb 0.23 0.65 0.00 0.00 -0.53 0.00 0.00 40.66 41.01 1a5u h LEU 283 CO 0.00 -0.37 0.00 -0.08 -0.13 0.00 0.00 178.44 177.86 1a5u h GLU 284 N -0.33 0.00 0.05 1.25 4.22 -1.31 -2.12 114.58 116.33 1a5u h GLU 284 Ca 0.13 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 59.24 1a5u h GLU 284 Cb 0.59 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1a5u h GLU 284 CO -0.58 0.00 -1.94 0.00 -2.18 0.00 0.00 179.01 174.30 1a5u n ALA 285 N -2.00 1.26 -1.46 2.92 0.00 0.11 -4.97 120.51 116.37 1a5u n ALA 285 Ca -0.02 -0.78 -0.30 0.00 0.00 0.00 0.00 53.44 52.33 1a5u n ALA 285 Cb 0.07 -0.66 0.21 0.00 0.00 0.00 0.00 19.45 19.07 1a5u n ALA 285 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1a5u s SER 286 N -6.41 1.94 -0.00 0.00 0.01 0.05 -4.96 113.70 104.32 1a5u s SER 286 Ca -0.14 0.49 0.14 0.00 1.31 0.00 0.00 55.95 57.74 1a5u s SER 286 Cb 0.07 -0.65 -0.16 0.00 0.21 0.00 0.00 66.02 65.49 1a5u s SER 286 CO 0.79 -3.48 0.54 0.47 0.41 0.00 0.00 173.24 171.97 1a5u n ASP 287 N -4.31 0.82 -3.72 2.44 8.00 0.85 -4.97 116.55 115.67 1a5u n ASP 287 Ca 0.14 -0.70 0.04 0.00 0.71 0.00 0.00 54.79 54.98 1a5u n ASP 287 Cb 0.59 1.10 0.00 0.00 -0.02 0.00 0.00 41.12 42.80 1a5u n ASP 287 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1a5u s GLY 288 N -2.51 -0.39 0.23 0.44 0.00 -1.17 -4.24 107.32 99.68 1a5u s GLY 288 Ca 0.04 0.65 0.03 0.00 0.00 0.00 0.00 44.72 45.44 1a5u s GLY 288 CO 0.57 2.54 0.03 -0.42 0.00 0.00 0.00 173.10 175.81 1a5u s ILE 289 N -2.04 0.84 -0.03 0.90 -1.09 0.10 -1.41 121.20 118.47 1a5u s ILE 289 Ca 0.21 -2.01 0.00 0.00 -2.23 0.00 0.00 60.65 56.62 1a5u s ILE 289 Cb 0.05 -2.40 0.03 0.00 -1.58 0.00 0.00 42.46 38.56 1a5u s ILE 289 CO -0.05 -0.25 0.01 -0.32 -1.23 0.00 0.00 174.94 173.10 1a5u s MET 290 N -3.92 0.20 -0.92 2.79 1.75 0.64 -1.37 119.30 118.46 1a5u s MET 290 Ca 0.30 0.11 -0.19 0.00 -1.25 0.00 0.00 55.69 54.66 1a5u s MET 290 Cb 0.07 -0.42 0.12 0.00 2.84 0.00 0.00 34.83 37.44 1a5u s MET 290 CO 0.09 -0.15 1.16 0.08 -0.65 0.00 0.00 175.02 175.55 1a5u s VAL 291 N 1.05 4.60 -1.11 10.11 1.01 -0.15 -0.98 120.40 134.93 1a5u s VAL 291 Ca -0.09 -1.40 -0.19 0.00 0.00 0.00 0.00 61.98 60.30 1a5u s VAL 291 Cb -0.13 -4.81 0.10 0.00 0.00 0.00 0.00 36.38 31.54 1a5u s VAL 291 CO -0.02 -1.56 1.43 0.00 0.00 0.00 0.00 175.10 174.95 1a5u s ALA 292 N 3.06 3.33 0.28 5.51 0.00 -0.86 -2.49 121.76 130.59 1a5u s ALA 292 Ca 0.34 -2.81 0.28 0.00 0.00 0.00 0.00 51.96 49.77 1a5u s ALA 292 Cb -0.05 -4.34 1.29 0.00 0.00 0.00 0.00 23.12 20.02 1a5u s ALA 292 CO -0.08 -3.18 1.98 0.00 0.00 0.00 0.00 175.76 174.48 1a5u h ARG 293 N 8.39 0.00 0.70 0.00 3.08 -1.83 -2.67 114.38 122.04 1a5u h ARG 293 Ca 0.28 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 1a5u h ARG 293 Cb 0.95 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.00 1a5u h ARG 293 CO 1.31 0.14 -0.33 0.78 -1.07 0.00 0.00 179.97 180.79 1a5u h GLY 294 N 1.43 -0.98 0.90 0.04 0.00 -1.86 -0.46 103.07 102.15 1a5u h GLY 294 Ca -0.00 0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.65 1a5u h GLY 294 CO 0.02 -0.35 -0.47 -0.55 0.00 0.00 0.00 176.54 175.19 1a5u h ASP 295 N -0.93 -1.13 -1.20 0.19 3.32 -1.87 -2.91 116.42 111.88 1a5u h ASP 295 Ca -0.10 0.05 0.45 0.00 0.02 0.00 0.00 57.03 57.45 1a5u h ASP 295 Cb 0.72 0.30 -0.16 0.00 0.22 0.00 0.00 39.33 40.41 1a5u h ASP 295 CO 0.16 -0.76 0.72 0.25 -1.72 0.00 0.00 179.24 177.88 1a5u h LEU 296 N -1.25 0.26 -0.07 1.55 5.85 -1.10 0.59 115.31 121.14 1a5u h LEU 296 Ca -0.12 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1a5u h LEU 296 Cb 0.97 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1a5u h LEU 296 CO 0.18 -0.34 -0.00 0.61 -0.34 0.00 0.00 178.44 178.55 1a5u n GLY 297 N -1.40 -0.95 0.40 3.75 0.00 -0.18 -1.50 105.19 105.31 1a5u n GLY 297 Ca 0.39 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1a5u n GLY 297 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1a5u n ILE 298 N -0.94 0.75 -0.10 -0.61 0.13 0.20 -4.13 119.36 114.66 1a5u n ILE 298 Ca 0.23 -0.22 0.21 0.00 -1.10 0.00 0.00 62.75 61.86 1a5u n ILE 298 Cb 0.14 -1.44 0.63 0.00 -0.84 0.00 0.00 39.64 38.13 1a5u n ILE 298 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1a5u h GLU 299 N -0.33 0.14 -5.04 9.51 4.39 -1.28 -3.43 114.58 118.55 1a5u h GLU 299 Ca -0.33 -0.01 -0.40 0.00 0.34 0.00 0.00 59.36 58.96 1a5u h GLU 299 Cb 1.35 -0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.83 1a5u h GLU 299 CO -0.16 0.10 -0.61 0.96 -1.16 0.00 0.00 179.01 178.14 1a5u s ILE 300 N -5.15 0.84 0.24 3.13 -4.36 -0.56 -4.77 121.20 110.56 1a5u s ILE 300 Ca -0.06 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.02 1a5u s ILE 300 Cb 0.21 -2.71 -0.10 0.00 1.25 0.00 0.00 42.46 41.10 1a5u s ILE 300 CO 0.75 0.00 1.51 -2.84 0.24 0.00 0.00 174.94 174.60 1a5u s PRO 301 N -3.97 4.22 0.16 0.37 0.02 -1.26 -4.63 135.00 129.91 1a5u s PRO 301 Ca 0.37 2.38 -0.18 0.00 0.02 0.00 0.00 61.00 63.59 1a5u s PRO 301 Cb 0.08 -3.10 0.07 0.00 0.02 0.00 0.00 34.50 31.57 1a5u s PRO 301 CO 0.15 -0.52 1.67 0.00 -0.33 0.00 0.00 177.00 177.96 1a5u h ALA 302 N 5.48 0.19 0.00 -1.55 0.00 -1.92 0.97 119.26 122.44 1a5u h ALA 302 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1a5u h ALA 302 Cb 1.21 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1a5u h ALA 302 CO 0.82 -0.49 0.00 -0.85 0.00 0.00 0.00 179.25 178.73 1a5u n GLU 303 N -5.30 0.00 -0.00 0.00 0.00 -1.26 -1.10 120.64 112.97 1a5u n GLU 303 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.21 1a5u n GLU 303 Cb 0.22 -1.48 -0.04 0.00 0.00 0.00 0.00 31.44 30.13 1a5u n GLU 303 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a5u n LYS 304 N -0.97 3.58 -0.35 3.44 5.02 0.33 -4.71 118.16 124.50 1a5u n LYS 304 Ca 0.00 -0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.41 1a5u n LYS 304 Cb 0.00 -0.91 0.33 0.00 -0.02 0.00 0.00 35.03 34.43 1a5u n LYS 304 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a5u h VAL 305 N 0.00 0.71 -0.15 -0.18 2.07 -1.07 -2.08 116.25 115.56 1a5u h VAL 305 Ca 0.00 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1a5u h VAL 305 Cb 0.20 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1a5u h VAL 305 CO 0.00 0.14 -0.23 2.19 0.02 0.00 0.00 177.57 179.69 1a5u h PHE 306 N 0.75 0.29 -0.04 1.57 -5.15 -1.84 0.34 116.94 112.86 1a5u h PHE 306 Ca 0.57 -0.05 -0.00 0.00 -0.20 0.00 0.00 57.97 58.29 1a5u h PHE 306 Cb 0.91 -0.08 -0.00 0.00 0.22 0.00 0.00 35.95 37.00 1a5u h PHE 306 CO -0.00 0.48 0.01 -0.07 -2.00 0.00 0.00 178.31 176.73 1a5u h LEU 307 N 0.24 0.06 -0.00 2.10 3.38 -1.72 0.19 115.31 119.57 1a5u h LEU 307 Ca 0.04 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1a5u h LEU 307 Cb 0.54 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1a5u h LEU 307 CO 0.04 0.28 -0.17 0.00 0.09 0.00 0.00 178.44 178.68 1a5u h ALA 308 N 0.78 -0.21 0.22 1.53 0.00 -1.10 0.25 119.26 120.73 1a5u h ALA 308 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1a5u h ALA 308 Cb 0.25 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1a5u h ALA 308 CO 0.00 -0.66 -0.38 0.37 0.00 0.00 0.00 179.25 178.58 1a5u h GLN 309 N -0.28 -0.65 0.07 0.00 4.15 -0.23 0.34 115.11 118.51 1a5u h GLN 309 Ca 0.05 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.52 1a5u h GLN 309 Cb 0.35 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1a5u h GLN 309 CO -0.16 -0.43 -0.09 0.87 -1.93 0.00 0.00 178.83 177.08 1a5u h LYS 310 N -0.68 -0.18 -0.53 1.69 1.57 -0.33 0.38 116.57 118.50 1a5u h LYS 310 Ca 0.00 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1a5u h LYS 310 Cb 0.66 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.92 1a5u h LYS 310 CO -0.16 -0.12 -0.03 1.98 -0.57 0.00 0.00 179.45 180.55 1a5u h MET 311 N -0.19 0.08 -0.24 3.15 4.05 -0.36 0.66 114.93 122.08 1a5u h MET 311 Ca 0.01 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1a5u h MET 311 Cb 0.19 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1a5u h MET 311 CO -0.04 0.05 0.07 0.82 0.23 0.00 0.00 176.91 178.05 1a5u h ILE 312 N 0.09 1.20 0.05 1.77 2.04 0.25 -2.20 117.51 120.70 1a5u h ILE 312 Ca 0.27 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1a5u h ILE 312 Cb 0.41 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1a5u h ILE 312 CO -0.47 0.20 -0.09 0.40 0.00 0.00 0.00 178.15 178.19 1a5u h ILE 313 N 0.22 0.78 -0.39 -0.67 2.04 0.58 -2.32 117.51 117.74 1a5u h ILE 313 Ca 0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.02 1a5u h ILE 313 Cb 0.24 0.78 -0.09 0.00 -0.74 0.00 0.00 36.82 37.01 1a5u h ILE 313 CO -0.00 0.00 -0.19 1.23 0.00 0.00 0.00 178.15 179.19 1a5u h GLY 314 N -0.19 0.10 2.00 5.37 0.00 -0.85 -0.82 103.07 108.68 1a5u h GLY 314 Ca 0.02 0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 1a5u h GLY 314 CO -0.06 -0.19 -0.16 3.21 0.00 0.00 0.00 176.54 179.34 1a5u h ARG 315 N -0.12 0.00 -0.11 4.80 3.08 -1.26 0.25 114.38 121.03 1a5u h ARG 315 Ca 0.19 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.05 1a5u h ARG 315 Cb 0.42 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.48 1a5u h ARG 315 CO -0.47 0.16 -0.70 0.00 -1.07 0.00 0.00 179.97 177.89 1a5u h ASN 317 N 0.34 0.17 -0.85 0.00 -0.26 -0.86 1.55 115.58 115.66 1a5u h ASN 317 Ca -0.06 -0.21 0.13 0.00 -0.56 0.00 0.00 56.30 55.60 1a5u h ASN 317 Cb 1.35 -0.04 -0.09 0.00 -1.06 0.00 0.00 38.32 38.48 1a5u h ASN 317 CO 0.14 0.34 0.47 -0.09 -1.06 0.00 0.00 177.43 177.23 1a5u h ARG 318 N -0.01 0.69 0.00 0.81 2.43 -0.47 0.10 114.38 117.93 1a5u h ARG 318 Ca 0.04 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1a5u h ARG 318 Cb 0.23 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1a5u h ARG 318 CO -0.00 0.46 -0.57 0.00 -1.51 0.00 0.00 179.97 178.35 1a5u h ALA 319 N 1.52 0.65 -0.22 2.80 0.00 0.24 -3.45 119.26 120.80 1a5u h ALA 319 Ca 0.45 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a5u h ALA 319 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1a5u h ALA 319 CO -0.31 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1a5u n GLY 320 N 1.15 0.72 3.30 0.00 0.00 0.49 -5.04 105.19 105.80 1a5u n GLY 320 Ca 0.01 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 1a5u n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5u s LYS 321 N -3.71 1.69 0.45 1.61 1.02 0.13 -5.00 119.74 115.93 1a5u s LYS 321 Ca 0.00 -1.02 -0.25 0.00 0.02 0.00 0.00 55.97 54.71 1a5u s LYS 321 Cb 0.00 -1.81 -0.09 0.00 -0.52 0.00 0.00 37.83 35.41 1a5u s LYS 321 CO 0.00 0.47 1.44 -2.30 -0.92 0.00 0.00 175.35 174.05 1a5u n PRO 322 N 1.90 2.30 -4.32 -1.68 -0.02 -1.26 -4.21 135.00 127.70 1a5u n PRO 322 Ca -0.17 0.82 -0.19 0.00 -2.02 0.00 0.00 63.50 61.94 1a5u n PRO 322 Cb 0.52 -2.64 -0.15 0.00 -0.02 0.00 0.00 33.50 31.21 1a5u n PRO 322 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a5u s VAL 323 N -1.19 0.66 -0.14 -1.45 0.11 -1.26 -0.73 120.40 116.41 1a5u s VAL 323 Ca 0.61 -0.33 -0.01 0.00 -2.93 0.00 0.00 61.98 59.31 1a5u s VAL 323 Cb -0.45 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 1a5u s VAL 323 CO 0.58 0.20 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.82 1a5u s ILE 324 N -0.04 3.36 -0.15 7.04 1.01 -0.47 -1.55 121.20 130.40 1a5u s ILE 324 Ca 0.01 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 1a5u s ILE 324 Cb -0.05 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 1a5u s ILE 324 CO -0.00 0.51 0.33 0.00 0.00 0.00 0.00 174.94 175.78 1a5u s ALA 326 N 0.45 1.47 0.15 0.00 0.00 -1.04 -1.83 121.76 120.97 1a5u s ALA 326 Ca 0.18 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1a5u s ALA 326 Cb -0.13 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1a5u s ALA 326 CO 0.05 -0.26 0.00 2.41 0.00 0.00 0.00 175.76 177.97 1a5u n THR 327 N -0.27 -3.77 -1.08 0.00 -1.04 -1.26 -3.67 114.28 103.19 1a5u n THR 327 Ca -0.07 1.21 -0.03 0.00 -2.04 0.00 0.00 64.05 63.12 1a5u n THR 327 Cb 0.63 -2.33 -0.01 0.00 -1.82 0.00 0.00 70.33 66.80 1a5u n THR 327 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a5u n GLN 328 N 0.10 -1.63 -0.15 -2.82 6.02 -1.26 -4.77 117.38 112.87 1a5u n GLN 328 Ca 0.00 0.53 -0.06 0.00 -0.01 0.00 0.00 57.00 57.45 1a5u n GLN 328 Cb 0.00 -4.79 0.02 0.00 1.02 0.00 0.00 30.24 26.49 1a5u n GLN 328 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a5u h MET 329 N 0.13 0.55 0.00 -1.09 2.86 -1.88 -3.13 114.93 112.37 1a5u h MET 329 Ca -0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1a5u h MET 329 Cb 0.89 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 1a5u h MET 329 CO 0.08 0.36 -0.26 1.28 1.06 0.00 0.00 176.91 179.43 1a5u n LEU 330 N -4.82 2.17 -0.14 1.22 4.32 -1.26 -4.49 117.00 114.01 1a5u n LEU 330 Ca 0.02 -3.09 -0.01 0.00 -0.02 0.00 0.00 56.01 52.91 1a5u n LEU 330 Cb 0.06 -0.40 -0.00 0.00 -1.62 0.00 0.00 43.42 41.46 1a5u n LEU 330 CO 0.33 0.88 0.19 1.21 -1.22 0.00 0.00 177.39 178.77 1a5u n GLU 331 N -1.09 -0.10 0.05 3.23 4.07 -1.19 -0.79 120.64 124.82 1a5u n GLU 331 Ca 0.15 0.52 0.21 0.00 -0.06 0.00 0.00 57.16 57.98 1a5u n GLU 331 Cb 0.69 -0.77 0.73 0.00 -0.06 0.00 0.00 31.44 32.03 1a5u n GLU 331 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1a5u h SER 332 N 0.00 0.00 0.00 4.31 4.64 -1.92 -0.02 113.55 120.56 1a5u h SER 332 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1a5u h SER 332 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1a5u h SER 332 CO -0.33 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.86 1a5u n MET 333 N -4.03 0.72 -0.19 4.77 2.81 0.03 -0.67 117.12 120.56 1a5u n MET 333 Ca 0.08 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.88 1a5u n MET 333 Cb 0.61 -1.48 0.01 0.00 -0.71 0.00 0.00 33.22 31.65 1a5u n MET 333 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a5u h ILE 334 N 0.00 1.26 0.00 2.02 2.04 -1.16 -3.25 117.51 118.43 1a5u h ILE 334 Ca 0.00 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1a5u h ILE 334 Cb 0.00 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1a5u h ILE 334 CO 0.00 0.38 -1.81 0.29 0.00 0.00 0.00 178.15 177.01 1a5u n LYS 335 N -4.29 0.58 -5.02 2.37 4.76 -1.10 0.94 118.16 116.40 1a5u n LYS 335 Ca 0.02 -0.16 -0.30 0.00 -2.87 0.00 0.00 58.31 54.99 1a5u n LYS 335 Cb 0.31 -1.44 -0.15 0.00 -1.84 0.00 0.00 35.03 31.91 1a5u n LYS 335 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a5u s LYS 336 N -3.27 1.92 0.33 1.97 1.02 0.15 -4.92 119.74 116.93 1a5u s LYS 336 Ca -0.06 -1.04 0.03 0.00 0.02 0.00 0.00 55.97 54.91 1a5u s LYS 336 Cb 0.12 -2.01 0.57 0.00 -0.52 0.00 0.00 37.83 35.99 1a5u s LYS 336 CO 0.77 0.53 1.89 -1.00 -0.92 0.00 0.00 175.35 176.63 1a5u h PRO 337 N 5.00 0.64 -5.82 -1.68 0.13 -1.87 -3.35 132.00 125.05 1a5u h PRO 337 Ca -0.45 -0.11 -0.55 0.00 -0.87 0.00 0.00 66.00 64.01 1a5u h PRO 337 Cb 1.14 -0.10 -0.27 0.00 0.13 0.00 0.00 31.00 31.89 1a5u h PRO 337 CO 0.45 0.59 -0.83 1.03 -0.23 0.00 0.00 178.00 179.00 1a5u s ARG 338 N -5.15 1.37 0.70 0.86 0.52 -1.26 -4.90 118.95 111.08 1a5u s ARG 338 Ca -0.08 -0.78 -0.08 0.00 -0.52 0.00 0.00 55.73 54.27 1a5u s ARG 338 Cb 0.16 -1.39 0.15 0.00 0.52 0.00 0.00 34.95 34.39 1a5u s ARG 338 CO 0.77 0.37 0.95 -0.35 0.02 0.00 0.00 175.30 177.06 1a5u n PRO 339 N 2.22 -0.61 -2.57 3.54 -0.04 -1.26 -4.77 135.00 131.51 1a5u n PRO 339 Ca -0.16 -1.84 -0.25 0.00 -0.04 0.00 0.00 63.50 61.21 1a5u n PRO 339 Cb 0.54 -0.86 0.03 0.00 -0.04 0.00 0.00 33.50 33.16 1a5u n PRO 339 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1a5u s THR 340 N -2.95 3.46 0.15 0.52 -4.23 -1.26 -4.94 115.64 106.40 1a5u s THR 340 Ca 0.57 -0.25 -0.14 0.00 -1.18 0.00 0.00 61.69 60.69 1a5u s THR 340 Cb -0.02 -3.35 0.04 0.00 1.34 0.00 0.00 72.50 70.51 1a5u s THR 340 CO 0.39 -0.32 1.72 0.03 -0.54 0.00 0.00 174.62 175.90 1a5u h ARG 341 N -0.03 0.75 -0.70 3.99 2.47 -1.99 -1.00 114.38 117.86 1a5u h ARG 341 Ca -0.45 -0.13 0.02 0.00 -1.26 0.00 0.00 59.98 58.17 1a5u h ARG 341 Cb 1.27 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 29.42 1a5u h ARG 341 CO 0.59 0.65 0.46 0.00 0.56 0.00 0.00 179.97 182.23 1a5u h ALA 342 N 1.06 1.57 -0.23 0.04 0.00 -1.98 0.35 119.26 120.06 1a5u h ALA 342 Ca 0.17 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1a5u h ALA 342 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1a5u h ALA 342 CO -0.02 0.37 -0.35 0.93 0.00 0.00 0.00 179.25 180.19 1a5u h GLU 343 N 0.88 0.50 -0.13 0.00 5.08 -1.61 0.30 114.58 119.60 1a5u h GLU 343 Ca 0.27 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1a5u h GLU 343 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1a5u h GLU 343 CO -0.07 0.79 0.07 0.78 -1.00 0.00 0.00 179.01 179.57 1a5u h GLY 344 N 1.07 0.19 0.80 -3.84 0.00 0.18 -2.22 103.07 99.25 1a5u h GLY 344 Ca 0.05 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.31 1a5u h GLY 344 CO 0.07 0.09 0.10 0.23 0.00 0.00 0.00 176.54 177.02 1a5u h SER 345 N 0.10 0.11 -0.06 0.19 0.87 -0.06 -2.45 113.55 112.26 1a5u h SER 345 Ca 0.04 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1a5u h SER 345 Cb 0.09 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 1a5u h SER 345 CO -0.01 0.10 -0.39 -0.78 -0.53 0.00 0.00 176.83 175.22 1a5u h ASP 346 N 0.22 -1.22 -0.69 6.23 3.58 -0.17 0.11 116.42 124.47 1a5u h ASP 346 Ca 0.11 0.14 0.12 0.00 0.42 0.00 0.00 57.03 57.83 1a5u h ASP 346 Cb 0.08 0.47 -0.09 0.00 1.72 0.00 0.00 39.33 41.51 1a5u h ASP 346 CO -0.11 -0.36 0.27 0.58 -2.88 0.00 0.00 179.24 176.73 1a5u h VAL 347 N -0.45 0.70 0.27 2.25 2.07 -1.39 -0.28 116.25 119.43 1a5u h VAL 347 Ca 0.02 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1a5u h VAL 347 Cb 0.50 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1a5u h VAL 347 CO -0.29 0.08 -0.13 0.00 0.02 0.00 0.00 177.57 177.25 1a5u h ALA 348 N 1.49 -0.36 -0.37 1.67 0.00 -0.84 -2.64 119.26 118.20 1a5u h ALA 348 Ca 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1a5u h ALA 348 Cb 0.51 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1a5u h ALA 348 CO -0.36 -0.69 0.18 -0.91 0.00 0.00 0.00 179.25 177.47 1a5u h ASN 349 N -0.40 0.45 -0.78 0.00 -0.26 -0.57 0.33 115.58 114.35 1a5u h ASN 349 Ca -0.04 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.64 1a5u h ASN 349 Cb 0.30 -0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.41 1a5u h ASN 349 CO 0.06 0.39 0.38 0.00 -1.06 0.00 0.00 177.43 177.20 1a5u h ALA 350 N 1.68 1.18 -0.33 -0.83 0.00 -0.83 1.47 119.26 121.61 1a5u h ALA 350 Ca 0.13 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1a5u h ALA 350 Cb 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1a5u h ALA 350 CO -0.02 0.62 -0.47 0.28 0.00 0.00 0.00 179.25 179.66 1a5u h VAL 351 N 1.12 1.27 -0.42 0.00 2.07 -0.84 -1.89 116.25 117.56 1a5u h VAL 351 Ca 0.27 -1.65 -0.14 0.00 0.82 0.00 0.00 66.70 66.00 1a5u h VAL 351 Cb 0.11 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1a5u h VAL 351 CO -0.04 0.55 -0.30 -0.07 0.02 0.00 0.00 177.57 177.73 1a5u h LEU 352 N 0.70 0.97 -1.24 2.57 3.38 -0.50 -2.36 115.31 118.84 1a5u h LEU 352 Ca 0.04 -0.40 0.09 0.00 0.09 0.00 0.00 57.88 57.70 1a5u h LEU 352 Cb 1.07 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 1a5u h LEU 352 CO 0.11 1.19 0.56 0.44 0.09 0.00 0.00 178.44 180.83 1a5u h ASP 353 N 0.79 0.77 0.00 -0.43 3.32 0.23 -3.46 116.42 117.64 1a5u h ASP 353 Ca 0.09 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1a5u h ASP 353 Cb 0.87 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1a5u h ASP 353 CO 0.08 0.46 0.00 0.61 -1.72 0.00 0.00 179.24 178.67 1a5u n GLY 354 N -1.42 -0.03 3.71 2.75 0.00 -0.77 -4.68 105.19 104.76 1a5u n GLY 354 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1a5u n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u n ALA 355 N 0.00 1.80 0.08 4.61 0.00 -0.88 -4.88 120.51 121.25 1a5u n ALA 355 Ca 0.00 0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.73 1a5u n ALA 355 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.05 1a5u n ALA 355 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a5u h ASP 356 N 4.10 0.20 -5.32 0.00 5.19 -1.57 -3.46 116.42 115.57 1a5u h ASP 356 Ca -0.46 -0.18 -0.13 0.00 -0.62 0.00 0.00 57.03 55.63 1a5u h ASP 356 Cb 1.25 -0.06 -0.14 0.00 0.18 0.00 0.00 39.33 40.56 1a5u h ASP 356 CO 0.74 1.04 -0.46 0.00 -3.12 0.00 0.00 179.24 177.43 1a5u s ILE 358 N -3.99 1.40 0.26 0.00 -4.36 -0.57 -1.47 121.20 112.47 1a5u s ILE 358 Ca 0.18 -1.59 0.11 0.00 -0.26 0.00 0.00 60.65 59.09 1a5u s ILE 358 Cb 0.05 -1.44 -0.05 0.00 1.25 0.00 0.00 42.46 42.27 1a5u s ILE 358 CO -0.01 -0.28 -0.20 -0.32 0.24 0.00 0.00 174.94 174.37 1a5u s MET 359 N -2.28 1.60 -0.06 0.37 1.75 -0.76 -1.06 119.30 118.85 1a5u s MET 359 Ca 0.06 -1.70 0.02 0.00 -1.25 0.00 0.00 55.69 52.81 1a5u s MET 359 Cb -0.07 -1.68 0.02 0.00 2.84 0.00 0.00 34.83 35.94 1a5u s MET 359 CO 0.03 0.32 -0.10 -0.51 -0.65 0.00 0.00 175.02 174.11 1a5u s LEU 360 N -3.36 1.52 0.00 4.11 1.43 0.87 -4.39 118.68 118.87 1a5u s LEU 360 Ca 0.27 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1a5u s LEU 360 Cb -0.05 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1a5u s LEU 360 CO 0.13 -0.00 0.00 -1.20 0.23 0.00 0.00 176.35 175.51 1a5u n SER 361 N 3.99 0.00 0.20 2.29 7.64 -1.26 -0.94 113.62 125.53 1a5u n SER 361 Ca -0.22 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.79 1a5u n SER 361 Cb 0.51 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.41 1a5u n SER 361 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a5u h GLY 362 N 0.00 0.00 1.68 0.23 0.00 -1.97 -0.67 103.07 102.34 1a5u h GLY 362 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1a5u h GLY 362 CO 0.00 0.00 -0.53 0.83 0.00 0.00 0.00 176.54 176.84 1a5u h GLU 363 N 0.00 0.34 0.00 4.80 3.07 -1.90 -2.34 114.58 118.54 1a5u h GLU 363 Ca 0.00 -0.20 -0.07 0.00 -0.50 0.00 0.00 59.36 58.59 1a5u h GLU 363 Cb 0.06 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1a5u h GLU 363 CO 0.00 0.78 -1.59 0.25 -1.40 0.00 0.00 179.01 177.05 1a5u n THR 364 N -3.94 0.25 0.12 1.13 -2.24 -0.41 -3.88 114.28 105.31 1a5u n THR 364 Ca -0.02 -0.33 0.05 0.00 -2.27 0.00 0.00 64.05 61.48 1a5u n THR 364 Cb 0.57 -0.09 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 1a5u n THR 364 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u h ALA 365 N 0.86 0.70 0.00 6.98 0.00 -0.59 -3.23 119.26 123.98 1a5u h ALA 365 Ca -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1a5u h ALA 365 Cb 0.91 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1a5u h ALA 365 CO 0.01 0.51 -0.04 0.36 0.00 0.00 0.00 179.25 180.08 1a5u n LYS 366 N -3.04 0.00 -2.82 0.00 -0.00 -1.20 -0.27 118.16 110.82 1a5u n LYS 366 Ca -0.01 -0.11 -0.25 0.00 -0.00 0.00 0.00 58.31 57.94 1a5u n LYS 366 Cb 0.70 -0.07 0.01 0.00 -0.00 0.00 0.00 35.03 35.67 1a5u n LYS 366 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1a5u s GLY 367 N -0.07 1.52 0.00 2.58 0.00 -0.89 -4.85 107.32 105.61 1a5u s GLY 367 Ca 0.00 -0.80 0.29 0.00 0.00 0.00 0.00 44.72 44.22 1a5u s GLY 367 CO 0.00 -0.62 1.97 1.22 0.00 0.00 0.00 173.10 175.67 1a5u n ASP 368 N -2.19 0.02 -2.65 1.64 8.00 0.27 -4.07 116.55 117.56 1a5u n ASP 368 Ca 0.01 0.22 -0.22 0.00 0.71 0.00 0.00 54.79 55.51 1a5u n ASP 368 Cb 0.57 -0.40 -0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1a5u n ASP 368 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a5u n TYR 369 N -1.41 2.73 0.20 1.24 4.01 -1.23 -4.92 117.16 117.78 1a5u n TYR 369 Ca 0.10 -3.24 -0.15 0.00 -0.16 0.00 0.00 57.90 54.45 1a5u n TYR 369 Cb 0.30 -0.25 -0.07 0.00 -0.31 0.00 0.00 39.34 39.01 1a5u n TYR 369 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a5u h PRO 370 N 2.78 -0.50 -0.22 -0.72 0.13 -1.71 -1.82 132.00 129.94 1a5u h PRO 370 Ca 0.16 0.03 0.05 0.00 -0.87 0.00 0.00 66.00 65.37 1a5u h PRO 370 Cb 0.92 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.12 1a5u h PRO 370 CO 0.73 -0.34 -0.07 -0.07 -0.23 0.00 0.00 178.00 178.02 1a5u h LEU 371 N -0.52 -0.26 -1.36 1.56 3.38 -1.91 -1.51 115.31 114.68 1a5u h LEU 371 Ca -0.03 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1a5u h LEU 371 Cb 0.45 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1a5u h LEU 371 CO 0.01 -0.10 0.45 -0.33 0.09 0.00 0.00 178.44 178.56 1a5u h GLU 372 N -0.03 0.81 0.08 1.13 3.07 -1.93 -0.61 114.58 117.10 1a5u h GLU 372 Ca 0.11 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1a5u h GLU 372 Cb 0.20 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1a5u h GLU 372 CO -0.24 0.54 -0.06 0.00 -1.40 0.00 0.00 179.01 177.85 1a5u h ALA 373 N 1.60 -0.13 -0.30 3.43 0.00 -0.39 0.16 119.26 123.63 1a5u h ALA 373 Ca 0.27 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1a5u h ALA 373 Cb 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1a5u h ALA 373 CO -0.07 -0.58 0.16 0.28 0.00 0.00 0.00 179.25 179.04 1a5u h VAL 374 N -0.14 1.01 -0.31 0.00 2.07 -1.10 -1.51 116.25 116.27 1a5u h VAL 374 Ca -0.00 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.47 1a5u h VAL 374 Cb 0.13 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 1a5u h VAL 374 CO -0.00 0.06 -0.28 0.03 0.02 0.00 0.00 177.57 177.40 1a5u h ARG 375 N 0.33 -0.24 -0.48 1.57 3.08 -0.75 -1.90 114.38 115.98 1a5u h ARG 375 Ca 0.12 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.25 1a5u h ARG 375 Cb 0.02 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 1a5u h ARG 375 CO -0.07 -0.16 0.15 1.98 -1.07 0.00 0.00 179.97 180.80 1a5u h MET 376 N -0.25 0.31 -0.35 0.04 4.05 -0.24 -0.95 114.93 117.53 1a5u h MET 376 Ca 0.16 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 1a5u h MET 376 Cb 0.50 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 1a5u h MET 376 CO -0.46 0.21 0.16 1.96 0.23 0.00 0.00 176.91 179.01 1a5u h GLN 377 N 0.32 0.48 -0.36 0.39 4.20 -0.73 -1.96 115.11 117.46 1a5u h GLN 377 Ca 0.23 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1a5u h GLN 377 Cb 0.25 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1a5u h GLN 377 CO -0.25 0.39 0.18 1.25 -0.67 0.00 0.00 178.83 179.73 1a5u h HIS 378 N 0.49 0.50 0.97 2.96 2.76 -0.43 -0.16 115.15 122.24 1a5u h HIS 378 Ca 0.12 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1a5u h HIS 378 Cb 0.07 -0.16 0.01 0.00 1.55 0.00 0.00 27.41 28.88 1a5u h HIS 378 CO 0.00 0.41 -0.46 -0.07 -1.30 0.00 0.00 177.93 176.51 1a5u h LEU 379 N 0.45 -1.10 -0.54 0.26 3.38 -0.82 -2.48 115.31 114.46 1a5u h LEU 379 Ca 0.12 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1a5u h LEU 379 Cb 0.09 0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 1a5u h LEU 379 CO -0.02 -0.77 -0.06 0.40 0.09 0.00 0.00 178.44 178.08 1a5u h ILE 380 N -1.33 0.52 -0.89 1.22 1.08 -1.36 -2.19 117.51 114.56 1a5u h ILE 380 Ca -0.13 -0.02 0.12 0.00 -0.39 0.00 0.00 64.86 64.44 1a5u h ILE 380 Cb 1.00 0.45 -0.08 0.00 -3.07 0.00 0.00 36.82 35.11 1a5u h ILE 380 CO 0.22 0.01 0.51 0.00 -0.69 0.00 0.00 178.15 178.20 1a5u h ALA 381 N 1.51 1.33 -0.23 1.87 0.00 -0.91 0.57 119.26 123.39 1a5u h ALA 381 Ca 0.27 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1a5u h ALA 381 Cb 0.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1a5u h ALA 381 CO -0.50 0.06 -0.22 0.00 0.00 0.00 0.00 179.25 178.59 1a5u h ARG 382 N 0.79 0.56 -0.66 0.00 3.08 -0.93 -1.49 114.38 115.73 1a5u h ARG 382 Ca 0.46 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1a5u h ARG 382 Cb 0.52 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1a5u h ARG 382 CO -0.30 0.88 0.33 1.49 -1.07 0.00 0.00 179.97 181.31 1a5u h GLU 383 N 0.26 0.93 0.00 0.04 4.57 -1.09 -2.98 114.58 116.31 1a5u h GLU 383 Ca 0.04 -0.13 -0.15 0.00 -1.18 0.00 0.00 59.36 57.94 1a5u h GLU 383 Cb 0.77 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 1a5u h GLU 383 CO 0.06 0.73 -0.70 0.00 -1.18 0.00 0.00 179.01 177.91 1a5u h ALA 384 N 1.16 0.82 0.00 2.92 0.00 -0.87 -2.99 119.26 120.30 1a5u h ALA 384 Ca 0.23 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1a5u h ALA 384 Cb 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1a5u h ALA 384 CO -0.03 0.88 -0.02 0.93 0.00 0.00 0.00 179.25 181.01 1a5u h GLU 385 N 0.00 0.00 0.11 0.00 5.08 -1.12 -2.92 114.58 115.73 1a5u h GLU 385 Ca -0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.01 1a5u h GLU 385 Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1a5u h GLU 385 CO 0.09 0.02 -1.84 0.00 -1.00 0.00 0.00 179.01 176.28 1a5u h ALA 386 N 1.98 0.43 0.00 3.43 0.00 -1.44 -3.32 119.26 120.34 1a5u h ALA 386 Ca -0.00 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.58 1a5u h ALA 386 Cb 0.62 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1a5u h ALA 386 CO 0.00 1.30 0.00 0.00 0.00 0.00 0.00 179.25 180.55 1a5u n ALA 387 N -2.85 2.12 -0.75 0.00 0.00 -1.11 -4.63 120.51 113.28 1a5u n ALA 387 Ca -0.26 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 52.82 1a5u n ALA 387 Cb 1.05 -1.19 0.22 0.00 0.00 0.00 0.00 19.45 19.53 1a5u n ALA 387 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a5u s MET 388 N -2.00 -0.37 -0.72 0.00 -1.94 -1.18 -4.92 119.30 108.17 1a5u s MET 388 Ca 0.18 0.79 0.02 0.00 -1.71 0.00 0.00 55.69 54.97 1a5u s MET 388 Cb 0.08 -1.62 0.35 0.00 2.01 0.00 0.00 34.83 35.65 1a5u s MET 388 CO 0.13 -3.34 1.41 0.34 -0.01 0.00 0.00 175.02 173.56 1a5u n PHE 389 N -4.64 3.38 -0.09 -0.03 7.35 -1.26 -4.86 117.46 117.32 1a5u n PHE 389 Ca 0.04 -3.13 0.23 0.00 -0.76 0.00 0.00 57.45 53.83 1a5u n PHE 389 Cb 0.55 -0.73 0.42 0.00 0.35 0.00 0.00 39.48 40.07 1a5u n PHE 389 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1a5u h HIS 390 N 3.25 0.00 0.02 -5.13 3.86 -1.92 0.10 115.15 115.33 1a5u h HIS 390 Ca 0.36 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.49 1a5u h HIS 390 Cb 0.45 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 1a5u h HIS 390 CO 1.04 0.00 -0.38 -0.09 0.86 0.00 0.00 177.93 179.35 1a5u h ARG 391 N 0.00 0.05 -0.10 2.45 1.12 -1.91 -3.00 114.38 112.99 1a5u h ARG 391 Ca 0.37 -0.08 -0.00 0.00 -1.11 0.00 0.00 59.98 59.16 1a5u h ARG 391 Cb 2.52 0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 32.51 1a5u h ARG 391 CO -0.00 1.04 0.05 -0.22 -3.11 0.00 0.00 179.97 177.72 1a5u h LYS 392 N -0.90 0.14 -0.69 0.20 3.64 -1.44 -2.78 116.57 114.75 1a5u h LYS 392 Ca -0.09 -0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.42 1a5u h LYS 392 Cb 1.16 -0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.84 1a5u h LYS 392 CO -0.02 0.21 0.02 1.25 -2.27 0.00 0.00 179.45 178.65 1a5u h LEU 393 N 0.04 -0.27 -0.85 5.20 5.85 -1.25 -0.19 115.31 123.84 1a5u h LEU 393 Ca 0.03 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1a5u h LEU 393 Cb 0.12 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1a5u h LEU 393 CO -0.00 -0.13 0.17 0.15 -0.34 0.00 0.00 178.44 178.28 1a5u h PHE 394 N 0.13 1.07 0.02 1.25 3.57 -1.48 0.58 116.94 122.08 1a5u h PHE 394 Ca 0.37 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1a5u h PHE 394 Cb 0.62 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1a5u h PHE 394 CO -0.38 0.87 -0.01 0.93 -2.23 0.00 0.00 178.31 177.49 1a5u h GLU 395 N 0.98 -0.02 -0.97 1.11 5.08 -0.93 -0.44 114.58 119.39 1a5u h GLU 395 Ca 0.21 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1a5u h GLU 395 Cb 0.33 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1a5u h GLU 395 CO -0.00 0.30 0.63 0.93 -1.00 0.00 0.00 179.01 179.87 1a5u h GLU 396 N -0.35 1.16 -0.60 2.33 5.08 -0.80 -0.62 114.58 120.80 1a5u h GLU 396 Ca -0.00 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1a5u h GLU 396 Cb 0.33 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1a5u h GLU 396 CO 0.00 0.77 0.14 -0.07 -1.00 0.00 0.00 179.01 178.85 1a5u h LEU 397 N 1.20 0.91 -0.63 1.33 4.07 -0.84 -1.27 115.31 120.08 1a5u h LEU 397 Ca 0.40 -0.24 -0.05 0.00 0.08 0.00 0.00 57.88 58.08 1a5u h LEU 397 Cb 0.06 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 1a5u h LEU 397 CO -0.14 0.91 0.22 0.00 -1.08 0.00 0.00 178.44 178.35 1a5u h ALA 398 N 1.03 0.82 0.61 1.53 0.00 -0.27 -1.50 119.26 121.49 1a5u h ALA 398 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1a5u h ALA 398 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1a5u h ALA 398 CO 0.00 0.47 -0.46 -0.09 0.00 0.00 0.00 179.25 179.18 1a5u h ARG 399 N 0.90 -0.99 -0.78 0.00 1.12 -0.93 -2.06 114.38 111.64 1a5u h ARG 399 Ca 0.21 0.07 0.17 0.00 -1.11 0.00 0.00 59.98 59.32 1a5u h ARG 399 Cb 0.26 0.22 -0.11 0.00 -0.01 0.00 0.00 29.97 30.33 1a5u h ARG 399 CO -0.01 -0.66 0.23 1.03 -3.11 0.00 0.00 179.97 177.45 1a5u h SER 400 N -1.03 0.10 -0.01 -3.80 0.87 -1.09 -0.22 113.55 108.37 1a5u h SER 400 Ca -0.08 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1a5u h SER 400 Cb 0.85 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1a5u h SER 400 CO 0.03 -0.02 0.00 -1.54 -0.53 0.00 0.00 176.83 174.77 1a5u n SER 401 N -5.12 0.28 0.21 6.23 3.41 -0.58 -4.44 113.62 113.61 1a5u n SER 401 Ca 0.16 -1.19 0.15 0.00 -0.26 0.00 0.00 58.87 57.73 1a5u n SER 401 Cb 0.50 -0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.05 1a5u n SER 401 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a5u h SER 402 N 0.42 0.00 1.67 4.04 4.64 -0.31 0.24 113.55 124.25 1a5u h SER 402 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a5u h SER 402 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1a5u h SER 402 CO 0.00 0.00 0.00 0.45 -0.87 0.00 0.00 176.83 176.41 1a5u h HIS 403 N 0.00 0.00 -3.67 4.77 3.86 -1.82 -3.44 115.15 114.85 1a5u h HIS 403 Ca 0.11 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.81 1a5u h HIS 403 Cb 1.29 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.74 1a5u h HIS 403 CO 0.00 0.00 0.22 0.45 0.86 0.00 0.00 177.93 179.46 1a5u s SER 404 N -5.81 7.29 -0.07 2.45 0.15 0.84 -4.94 113.70 113.61 1a5u s SER 404 Ca 0.06 1.66 0.10 0.00 0.70 0.00 0.00 55.95 58.46 1a5u s SER 404 Cb 0.07 -2.51 0.15 0.00 -1.71 0.00 0.00 66.02 62.02 1a5u s SER 404 CO 0.62 0.06 1.04 0.41 1.20 0.00 0.00 173.24 176.58 1a5u n THR 405 N 0.99 1.07 -1.66 6.45 -1.04 -1.26 -5.06 114.28 113.77 1a5u n THR 405 Ca -0.02 -1.27 -0.46 0.00 -2.04 0.00 0.00 64.05 60.27 1a5u n THR 405 Cb 0.50 0.16 -0.03 0.00 -1.82 0.00 0.00 70.33 69.13 1a5u n THR 405 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1a5u n ASP 406 N -0.79 2.76 0.03 8.00 2.03 -1.26 -4.89 116.55 122.44 1a5u n ASP 406 Ca 0.08 1.12 -0.11 0.00 0.52 0.00 0.00 54.79 56.41 1a5u n ASP 406 Cb 0.60 -1.41 -0.05 0.00 -0.72 0.00 0.00 41.12 39.54 1a5u n ASP 406 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1a5u h LEU 407 N 4.69 -0.18 -1.49 -2.67 4.07 -2.00 -0.98 115.31 116.76 1a5u h LEU 407 Ca -0.45 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.49 1a5u h LEU 407 Cb 1.27 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.09 1a5u h LEU 407 CO 0.79 -0.09 -0.23 -0.03 -1.08 0.00 0.00 178.44 177.81 1a5u h MET 408 N -0.09 0.04 -0.26 1.13 4.05 -1.92 -2.37 114.93 115.50 1a5u h MET 408 Ca 0.04 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.35 1a5u h MET 408 Cb 0.14 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1a5u h MET 408 CO -0.09 0.27 -0.25 0.93 0.23 0.00 0.00 176.91 178.00 1a5u h GLU 409 N 0.04 0.50 0.38 0.39 5.08 -1.80 0.13 114.58 119.30 1a5u h GLU 409 Ca 0.01 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1a5u h GLU 409 Cb 0.42 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1a5u h GLU 409 CO 0.03 0.72 -0.18 0.00 -1.00 0.00 0.00 179.01 178.58 1a5u h ALA 410 N 1.28 -0.51 -0.16 3.43 0.00 -0.71 -0.74 119.26 121.85 1a5u h ALA 410 Ca 0.06 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1a5u h ALA 410 Cb 0.68 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1a5u h ALA 410 CO 0.05 -0.67 -0.29 1.98 0.00 0.00 0.00 179.25 180.32 1a5u h MET 411 N -0.73 -0.33 -0.87 0.00 -1.53 -1.31 0.23 114.93 110.39 1a5u h MET 411 Ca -0.05 0.02 0.07 0.00 -3.44 0.00 0.00 59.70 56.30 1a5u h MET 411 Cb 0.51 0.08 -0.07 0.00 -0.55 0.00 0.00 31.60 31.57 1a5u h MET 411 CO 0.09 -0.22 0.53 0.00 0.14 0.00 0.00 176.91 177.45 1a5u h ALA 412 N 0.55 1.21 -0.34 0.39 0.00 -0.73 -0.19 119.26 120.15 1a5u h ALA 412 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1a5u h ALA 412 Cb 0.51 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1a5u h ALA 412 CO -0.36 0.25 -0.46 0.52 0.00 0.00 0.00 179.25 179.20 1a5u h MET 413 N 0.95 0.91 -0.17 0.00 2.86 -0.20 -0.44 114.93 118.83 1a5u h MET 413 Ca 0.39 -0.52 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1a5u h MET 413 Cb 0.22 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1a5u h MET 413 CO -0.19 1.17 -0.18 0.78 1.06 0.00 0.00 176.91 179.55 1a5u h GLY 414 N 0.74 0.32 0.47 8.32 0.00 -0.08 -1.80 103.07 111.04 1a5u h GLY 414 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1a5u h GLY 414 CO 0.11 0.20 -0.02 1.76 0.00 0.00 0.00 176.54 178.59 1a5u h SER 415 N 0.27 -0.04 -0.59 0.19 0.02 -0.74 -0.19 113.55 112.47 1a5u h SER 415 Ca 0.05 -0.49 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1a5u h SER 415 Cb 0.48 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1a5u h SER 415 CO 0.03 0.49 0.33 0.58 -1.14 0.00 0.00 176.83 177.12 1a5u h VAL 416 N -0.58 1.18 0.53 2.27 2.07 -1.03 -0.22 116.25 120.47 1a5u h VAL 416 Ca -0.00 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1a5u h VAL 416 Cb 0.53 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1a5u h VAL 416 CO 0.01 0.20 -0.25 -0.08 0.02 0.00 0.00 177.57 177.47 1a5u h GLU 417 N 0.84 -0.69 -0.70 1.57 4.57 -1.28 0.29 114.58 119.19 1a5u h GLU 417 Ca 0.22 0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.54 1a5u h GLU 417 Cb 0.02 0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.69 1a5u h GLU 417 CO -0.04 -0.42 0.34 0.00 -1.18 0.00 0.00 179.01 177.71 1a5u h ALA 418 N -0.36 0.95 -0.55 2.92 0.00 -0.50 0.21 119.26 121.94 1a5u h ALA 418 Ca -0.07 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1a5u h ALA 418 Cb 0.58 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1a5u h ALA 418 CO 0.12 -0.06 0.37 0.66 0.00 0.00 0.00 179.25 180.33 1a5u h SER 419 N 0.58 0.50 0.03 0.00 4.64 -0.87 -0.15 113.55 118.27 1a5u h SER 419 Ca 0.34 -0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.46 1a5u h SER 419 Cb 0.37 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1a5u h SER 419 CO -0.27 0.34 -0.75 1.88 -0.87 0.00 0.00 176.83 177.15 1a5u h TYR 420 N 0.57 0.84 0.30 4.77 0.05 0.16 -2.11 116.97 121.55 1a5u h TYR 420 Ca 0.23 -0.37 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 1a5u h TYR 420 Cb 0.19 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1a5u h TYR 420 CO -0.00 1.17 -0.14 -0.22 -1.05 0.00 0.00 178.16 177.92 1a5u h LYS 421 N 0.43 -0.39 -0.32 4.88 1.63 0.38 -3.20 116.57 119.98 1a5u h LYS 421 Ca -0.04 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1a5u h LYS 421 Cb 1.36 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 1a5u h LYS 421 CO 0.14 -0.14 0.00 0.00 -3.45 0.00 0.00 179.45 176.00 1a5u n LEU 423 N 0.70 -3.20 -4.51 0.00 4.32 -0.85 -4.91 117.00 108.55 1a5u n LEU 423 Ca 0.16 -0.71 -0.39 0.00 -0.02 0.00 0.00 56.01 55.05 1a5u n LEU 423 Cb 0.39 -2.81 0.03 0.00 -1.62 0.00 0.00 43.42 39.41 1a5u n LEU 423 CO 0.12 0.48 0.23 0.00 -1.22 0.00 0.00 177.39 176.99 1a5u n ALA 424 N -4.52 -0.76 0.09 -1.18 0.00 -0.90 -4.88 120.51 108.35 1a5u n ALA 424 Ca -0.14 0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 1a5u n ALA 424 Cb 0.61 -1.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.06 1a5u n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5u h ALA 425 N 0.54 0.21 -2.81 0.00 0.00 0.40 -3.43 119.26 114.17 1a5u h ALA 425 Ca -0.45 -0.78 0.06 0.00 0.00 0.00 0.00 54.91 53.74 1a5u h ALA 425 Cb 1.38 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1a5u h ALA 425 CO 0.50 0.85 0.38 0.00 0.00 0.00 0.00 179.25 180.98 1a5u s ALA 426 N -3.01 -1.11 -0.04 0.00 0.00 -1.25 -3.94 121.76 112.41 1a5u s ALA 426 Ca -0.06 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1a5u s ALA 426 Cb 0.08 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 1a5u s ALA 426 CO 0.88 -1.02 -0.17 -0.51 0.00 0.00 0.00 175.76 174.94 1a5u s LEU 427 N -3.16 1.92 -0.21 0.00 1.02 0.13 -1.47 118.68 116.92 1a5u s LEU 427 Ca 0.17 -0.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.95 1a5u s LEU 427 Cb -0.04 -0.99 0.01 0.00 0.02 0.00 0.00 46.19 45.19 1a5u s LEU 427 CO 0.09 0.15 -0.12 -0.63 0.02 0.00 0.00 176.35 175.86 1a5u s ILE 428 N 0.05 2.69 -0.08 -0.59 1.01 0.46 0.11 121.20 124.85 1a5u s ILE 428 Ca -0.04 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.86 1a5u s ILE 428 Cb -0.12 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.14 1a5u s ILE 428 CO 0.02 0.44 -0.20 -0.69 0.00 0.00 0.00 174.94 174.51 1a5u s VAL 429 N 1.37 1.72 -0.40 2.92 1.01 -0.68 0.41 120.40 126.74 1a5u s VAL 429 Ca 0.04 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 1a5u s VAL 429 Cb -0.14 -1.50 0.09 0.00 0.00 0.00 0.00 36.38 34.83 1a5u s VAL 429 CO -0.08 0.49 0.22 -0.76 0.00 0.00 0.00 175.10 174.96 1a5u s LEU 430 N 0.34 5.06 0.09 3.92 1.02 -0.54 -1.08 118.68 127.48 1a5u s LEU 430 Ca -0.14 -1.64 0.02 0.00 0.02 0.00 0.00 54.13 52.39 1a5u s LEU 430 Cb -0.16 -1.91 -0.04 0.00 0.02 0.00 0.00 46.19 44.09 1a5u s LEU 430 CO 0.06 -0.51 -0.07 0.28 0.02 0.00 0.00 176.35 176.13 1a5u s THR 431 N 1.33 0.69 -0.14 5.49 -1.32 -1.14 -4.73 115.64 115.81 1a5u s THR 431 Ca 0.03 -1.87 -0.07 0.00 -1.21 0.00 0.00 61.69 58.57 1a5u s THR 431 Cb -0.23 -1.60 -0.06 0.00 -1.51 0.00 0.00 72.50 69.10 1a5u s THR 431 CO -0.00 -0.84 -0.19 -0.62 -2.21 0.00 0.00 174.62 170.77 1a5u n GLU 432 N 0.07 0.30 0.20 7.08 -0.58 -1.26 -4.21 120.64 122.24 1a5u n GLU 432 Ca -0.13 0.13 0.07 0.00 -0.42 0.00 0.00 57.16 56.81 1a5u n GLU 432 Cb 0.60 -1.01 0.35 0.00 -0.57 0.00 0.00 31.44 30.82 1a5u n GLU 432 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a5u h SER 433 N -0.52 0.00 0.00 1.62 4.64 -1.98 -3.44 113.55 113.87 1a5u h SER 433 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1a5u h SER 433 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1a5u h SER 433 CO -0.22 0.34 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 1a5u n GLY 434 N 0.25 0.63 0.06 -0.77 0.00 -1.26 -4.86 105.19 99.24 1a5u n GLY 434 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1a5u n GLY 434 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a5u h ARG 435 N 1.76 0.06 -0.51 1.61 -0.00 -1.95 -1.76 114.38 113.59 1a5u h ARG 435 Ca 0.00 -0.01 0.10 0.00 -0.50 0.00 0.00 59.98 59.57 1a5u h ARG 435 Cb 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 29.97 29.86 1a5u h ARG 435 CO 0.00 0.17 -0.23 0.77 0.00 0.00 0.00 179.97 180.68 1a5u h SER 436 N -0.06 -0.78 0.01 7.04 0.02 -1.94 0.22 113.55 118.04 1a5u h SER 436 Ca 0.01 0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1a5u h SER 436 Cb 0.13 0.43 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1a5u h SER 436 CO -0.00 -0.25 -0.17 0.00 -1.14 0.00 0.00 176.83 175.26 1a5u h ALA 437 N 1.23 -0.22 -0.92 3.77 0.00 -1.90 -1.68 119.26 119.54 1a5u h ALA 437 Ca 0.23 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.35 1a5u h ALA 437 Cb 0.48 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 1a5u h ALA 437 CO -0.58 -0.67 0.47 0.45 0.00 0.00 0.00 179.25 178.92 1a5u h HIS 438 N -0.29 0.81 -0.52 0.00 -0.00 -0.00 0.51 115.15 115.65 1a5u h HIS 438 Ca 0.05 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.45 1a5u h HIS 438 Cb 0.35 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 1a5u h HIS 438 CO -0.22 0.08 0.28 1.96 -0.00 0.00 0.00 177.93 180.03 1a5u h GLN 439 N 0.55 0.71 -0.04 2.45 1.08 0.25 -2.06 115.11 118.05 1a5u h GLN 439 Ca 0.55 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.64 1a5u h GLN 439 Cb 0.95 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1a5u h GLN 439 CO -0.45 0.53 -0.12 0.28 -0.95 0.00 0.00 178.83 178.12 1a5u h VAL 440 N 0.72 1.45 0.00 -0.54 2.07 -0.57 -3.19 116.25 116.19 1a5u h VAL 440 Ca 0.19 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1a5u h VAL 440 Cb 0.03 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1a5u h VAL 440 CO -0.03 0.42 -0.04 0.00 0.02 0.00 0.00 177.57 177.94 1a5u h ALA 441 N 0.43 1.22 -0.16 1.67 0.00 -1.11 -1.03 119.26 120.28 1a5u h ALA 441 Ca -0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1a5u h ALA 441 Cb 0.74 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1a5u h ALA 441 CO 0.03 0.05 -0.32 0.07 0.00 0.00 0.00 179.25 179.07 1a5u h ARG 442 N 0.00 0.32 -0.03 0.00 0.11 -1.36 -2.09 114.38 111.32 1a5u h ARG 442 Ca -0.00 -0.13 0.00 0.00 0.10 0.00 0.00 59.98 59.95 1a5u h ARG 442 Cb 0.16 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1a5u h ARG 442 CO 0.00 0.61 0.00 0.66 0.10 0.00 0.00 179.97 181.35 1a5u n TYR 443 N -4.09 0.04 -3.48 4.08 4.01 -0.39 -4.94 117.16 112.39 1a5u n TYR 443 Ca -0.01 -0.02 -0.17 0.00 -0.16 0.00 0.00 57.90 57.54 1a5u n TYR 443 Cb 0.43 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.47 1a5u n TYR 443 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a5u n ARG 444 N -0.48 -1.38 -1.17 -0.72 5.12 -0.79 -4.82 116.66 112.42 1a5u n ARG 444 Ca 0.06 0.95 -0.30 0.00 -1.93 0.00 0.00 57.85 56.62 1a5u n ARG 444 Cb 0.05 -4.13 0.12 0.00 -1.16 0.00 0.00 32.46 27.35 1a5u n ARG 444 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1a5u s PRO 445 N -4.50 1.66 -0.04 5.56 0.02 -1.26 -4.95 135.00 131.49 1a5u s PRO 445 Ca 0.14 1.06 -0.08 0.00 0.02 0.00 0.00 61.00 62.13 1a5u s PRO 445 Cb -0.05 -1.84 -0.30 0.00 0.02 0.00 0.00 34.50 32.34 1a5u s PRO 445 CO 0.83 -2.03 0.70 -0.09 -0.33 0.00 0.00 177.00 176.09 1a5u h ARG 446 N -1.40 0.34 -7.30 5.54 2.43 -1.93 -3.47 114.38 108.59 1a5u h ARG 446 Ca -0.46 -0.59 -0.51 0.00 -0.81 0.00 0.00 59.98 57.62 1a5u h ARG 446 Cb 1.26 0.22 0.08 0.00 -0.42 0.00 0.00 29.97 31.10 1a5u h ARG 446 CO 0.52 1.24 0.38 0.00 -1.51 0.00 0.00 179.97 180.60 1a5u s ALA 447 N -2.59 2.79 0.50 2.80 0.00 -1.26 -5.04 121.76 118.96 1a5u s ALA 447 Ca -0.14 0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.74 1a5u s ALA 447 Cb 0.06 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 1a5u s ALA 447 CO 0.85 -0.98 1.08 -1.25 0.00 0.00 0.00 175.76 175.46 1a5u s PRO 448 N -4.81 3.66 -0.23 0.00 0.04 -1.25 -4.77 135.00 127.64 1a5u s PRO 448 Ca 0.59 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 63.05 1a5u s PRO 448 Cb -0.14 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1a5u s PRO 448 CO 0.50 -0.58 0.06 0.42 0.04 0.00 0.00 177.00 177.44 1a5u s ILE 449 N -1.85 4.42 -0.38 0.56 1.01 -0.46 0.21 121.20 124.71 1a5u s ILE 449 Ca 0.68 -0.15 -0.14 0.00 0.00 0.00 0.00 60.65 61.05 1a5u s ILE 449 Cb -0.20 -3.04 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1a5u s ILE 449 CO 0.24 0.38 0.28 -0.63 0.00 0.00 0.00 174.94 175.21 1a5u s ILE 450 N 1.22 5.27 -0.40 2.92 1.01 0.30 0.11 121.20 131.63 1a5u s ILE 450 Ca 0.05 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 60.04 1a5u s ILE 450 Cb -0.14 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.49 1a5u s ILE 450 CO 0.03 -0.20 0.48 0.00 0.00 0.00 0.00 174.94 175.26 1a5u s ALA 451 N 1.71 3.43 -0.35 9.38 0.00 0.20 -1.68 121.76 134.45 1a5u s ALA 451 Ca 0.06 -1.30 -0.13 0.00 0.00 0.00 0.00 51.96 50.59 1a5u s ALA 451 Cb -0.18 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1a5u s ALA 451 CO 0.10 -1.46 0.24 0.08 0.00 0.00 0.00 175.76 174.72 1a5u s VAL 452 N 2.31 5.18 0.02 0.00 1.01 -0.24 0.10 120.40 128.79 1a5u s VAL 452 Ca 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1a5u s VAL 452 Cb -0.16 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1a5u s VAL 452 CO 0.14 -0.06 -0.01 0.28 0.00 0.00 0.00 175.10 175.46 1a5u s THR 453 N 1.70 0.13 -2.77 3.92 -1.32 -0.61 -2.87 115.64 113.82 1a5u s THR 453 Ca 0.06 -1.04 0.24 0.00 -1.21 0.00 0.00 61.69 59.74 1a5u s THR 453 Cb -0.18 -0.51 0.30 0.00 -1.51 0.00 0.00 72.50 70.61 1a5u s THR 453 CO 0.10 -0.57 1.34 0.54 -2.21 0.00 0.00 174.62 173.81 1a5u n ARG 454 N 1.31 2.39 -3.75 7.08 1.74 -1.26 0.20 116.66 124.37 1a5u n ARG 454 Ca -0.22 -2.05 -0.37 0.00 -0.77 0.00 0.00 57.85 54.43 1a5u n ARG 454 Cb 0.56 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.39 1a5u n ARG 454 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a5u s ASN 455 N -1.78 5.19 0.20 0.55 3.84 -1.26 -4.82 114.94 116.86 1a5u s ASN 455 Ca 0.33 -0.73 -0.07 0.00 0.21 0.00 0.00 52.86 52.59 1a5u s ASN 455 Cb 0.21 -1.89 0.13 0.00 -0.55 0.00 0.00 41.25 39.15 1a5u s ASN 455 CO 0.31 -0.21 1.68 0.45 -2.79 0.00 0.00 177.10 176.54 1a5u h HIS 456 N 8.25 1.11 0.08 0.43 3.86 -1.95 -0.99 115.15 125.93 1a5u h HIS 456 Ca -0.31 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1a5u h HIS 456 Cb 1.12 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1a5u h HIS 456 CO 0.61 0.97 -0.04 0.37 0.86 0.00 0.00 177.93 180.70 1a5u h GLN 457 N 0.94 -0.11 -0.65 2.45 4.15 -1.97 0.84 115.11 120.76 1a5u h GLN 457 Ca 0.17 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.74 1a5u h GLN 457 Cb 0.52 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.12 1a5u h GLN 457 CO 0.03 0.15 -0.01 1.15 -1.93 0.00 0.00 178.83 178.22 1a5u h THR 458 N -0.36 0.44 0.18 2.39 2.02 -1.83 0.74 112.91 116.49 1a5u h THR 458 Ca -0.01 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1a5u h THR 458 Cb 0.31 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1a5u h THR 458 CO 0.02 0.02 -0.35 0.00 0.37 0.00 0.00 175.52 175.58 1a5u h ALA 459 N 1.60 -0.64 -0.73 6.16 0.00 -0.87 0.57 119.26 125.35 1a5u h ALA 459 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1a5u h ALA 459 Cb 0.57 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1a5u h ALA 459 CO -0.57 -0.92 0.46 0.00 0.00 0.00 0.00 179.25 178.22 1a5u h ARG 460 N -0.62 0.97 -0.63 0.00 3.08 0.95 -2.79 114.38 115.33 1a5u h ARG 460 Ca 0.02 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.04 1a5u h ARG 460 Cb 0.62 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1a5u h ARG 460 CO -0.17 0.67 0.42 1.96 -1.07 0.00 0.00 179.97 181.78 1a5u h GLN 461 N 0.99 0.67 -0.18 0.04 4.20 0.84 -2.52 115.11 119.15 1a5u h GLN 461 Ca 0.26 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.99 1a5u h GLN 461 Cb -0.07 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1a5u h GLN 461 CO -0.05 0.44 0.27 0.00 -0.67 0.00 0.00 178.83 178.82 1a5u h ALA 462 N 1.64 1.71 -0.07 3.87 0.00 -0.61 -0.90 119.26 124.90 1a5u h ALA 462 Ca 0.26 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1a5u h ALA 462 Cb 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1a5u h ALA 462 CO -0.08 -0.36 0.11 0.45 0.00 0.00 0.00 179.25 179.37 1a5u h HIS 463 N 0.00 0.00 -0.88 0.00 3.86 -1.60 -1.97 115.15 114.56 1a5u h HIS 463 Ca 0.09 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.34 1a5u h HIS 463 Cb 0.63 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.04 1a5u h HIS 463 CO 0.00 0.00 0.58 1.25 0.86 0.00 0.00 177.93 180.62 1a5u h LEU 464 N 0.00 0.92 -9.47 2.43 7.12 -1.39 -3.40 115.31 111.52 1a5u h LEU 464 Ca 0.04 -0.00 -0.60 0.00 0.13 0.00 0.00 57.88 57.44 1a5u h LEU 464 Cb 0.26 -0.20 -0.08 0.00 -0.53 0.00 0.00 40.66 40.11 1a5u h LEU 464 CO -0.00 0.61 -0.25 -0.31 -0.13 0.00 0.00 178.44 178.36 1a5u s TYR 465 N -5.91 3.58 0.05 1.25 1.51 -0.74 -4.46 117.35 112.63 1a5u s TYR 465 Ca -0.11 0.80 -0.35 0.00 -1.01 0.00 0.00 57.07 56.39 1a5u s TYR 465 Cb 0.19 -2.34 -0.14 0.00 -0.11 0.00 0.00 41.96 39.57 1a5u s TYR 465 CO 0.80 0.41 1.65 -2.13 -1.11 0.00 0.00 175.55 175.16 1a5u n ARG 466 N 2.85 1.97 -1.12 -0.62 3.00 -1.26 -2.67 116.66 118.82 1a5u n ARG 466 Ca -0.12 0.72 -0.04 0.00 -0.00 0.00 0.00 57.85 58.40 1a5u n ARG 466 Cb 0.52 -2.49 -0.02 0.00 0.00 0.00 0.00 32.46 30.48 1a5u n ARG 466 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a5u n GLY 467 N 3.65 0.70 3.63 5.14 0.00 0.16 -4.70 105.19 113.78 1a5u n GLY 467 Ca 0.19 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 1a5u n GLY 467 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5u s ILE 468 N -2.08 5.22 -0.59 -0.61 1.01 -1.09 -1.35 121.20 121.72 1a5u s ILE 468 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.71 1a5u s ILE 468 Cb 0.00 -3.43 0.15 0.00 0.01 0.00 0.00 42.46 39.19 1a5u s ILE 468 CO 0.00 0.34 0.45 -0.36 0.00 0.00 0.00 174.94 175.37 1a5u s PHE 469 N 1.12 3.50 0.51 3.97 0.40 0.30 -4.67 117.98 123.11 1a5u s PHE 469 Ca 0.07 -2.22 -0.21 0.00 -0.60 0.00 0.00 56.93 53.97 1a5u s PHE 469 Cb -0.14 -3.44 -0.06 0.00 0.51 0.00 0.00 43.02 39.89 1a5u s PHE 469 CO 0.05 -0.94 1.14 -1.25 0.70 0.00 0.00 175.22 174.91 1a5u s PRO 470 N 0.63 3.51 -0.24 0.24 0.04 -1.26 0.59 135.00 138.52 1a5u s PRO 470 Ca 0.12 1.65 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 1a5u s PRO 470 Cb -0.21 -2.14 0.12 0.00 0.04 0.00 0.00 34.50 32.31 1a5u s PRO 470 CO -0.03 -0.73 0.47 0.08 0.04 0.00 0.00 177.00 176.83 1a5u s VAL 471 N -1.71 -0.74 0.29 -0.36 1.01 0.12 -4.83 120.40 114.18 1a5u s VAL 471 Ca 0.69 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 1a5u s VAL 471 Cb -0.25 -0.79 -0.09 0.00 0.00 0.00 0.00 36.38 35.24 1a5u s VAL 471 CO 0.29 0.01 1.06 -0.69 0.00 0.00 0.00 175.10 175.77 1a5u s VAL 472 N 2.67 3.63 -0.40 2.92 1.01 -1.26 -1.58 120.40 127.40 1a5u s VAL 472 Ca 0.03 1.59 -0.10 0.00 0.00 0.00 0.00 61.98 63.50 1a5u s VAL 472 Cb -0.13 -3.99 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1a5u s VAL 472 CO -0.15 0.33 0.24 0.00 0.00 0.00 0.00 175.10 175.52 1a5u n LYS 474 N 4.94 2.10 -2.99 0.00 5.02 -1.26 -4.35 118.16 121.62 1a5u n LYS 474 Ca -0.11 -1.66 -0.35 0.00 -2.02 0.00 0.00 58.31 54.17 1a5u n LYS 474 Cb 0.44 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 1a5u n LYS 474 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a5u s ASP 475 N -1.45 7.03 0.64 4.39 1.01 -1.26 -5.02 116.67 122.01 1a5u s ASP 475 Ca 0.35 1.53 -0.18 0.00 0.71 0.00 0.00 52.55 54.96 1a5u s ASP 475 Cb 0.19 -2.47 -0.01 0.00 1.01 0.00 0.00 42.92 41.65 1a5u s ASP 475 CO 0.28 -0.12 1.24 -2.84 0.21 0.00 0.00 175.17 173.93 1a5u s PRO 476 N -2.46 2.67 -0.02 8.23 0.02 -1.26 -4.92 135.00 137.26 1a5u s PRO 476 Ca 0.51 1.89 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 1a5u s PRO 476 Cb -0.14 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 1a5u s PRO 476 CO 0.19 -1.46 1.41 0.08 -0.33 0.00 0.00 177.00 176.89 1a5u s VAL 477 N -1.61 3.76 0.46 3.83 1.01 -1.26 -5.00 120.40 121.59 1a5u s VAL 477 Ca 0.79 1.11 -0.22 0.00 0.00 0.00 0.00 61.98 63.65 1a5u s VAL 477 Cb -0.32 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1a5u s VAL 477 CO 0.38 -0.02 1.09 -1.10 0.00 0.00 0.00 175.10 175.45 1a5u s GLN 478 N 2.62 3.84 0.35 2.72 -1.52 -1.26 -4.95 119.66 121.47 1a5u s GLN 478 Ca 0.64 1.55 0.11 0.00 -1.95 0.00 0.00 55.36 55.71 1a5u s GLN 478 Cb -0.31 -2.31 0.66 0.00 -0.22 0.00 0.00 33.01 30.84 1a5u s GLN 478 CO 0.26 -0.43 1.80 1.49 -0.25 0.00 0.00 175.29 178.15 1a5u h GLU 479 N 1.93 0.05 -4.55 2.91 4.81 -2.00 -3.42 114.58 114.32 1a5u h GLU 479 Ca -0.49 -0.02 -0.71 0.00 -0.13 0.00 0.00 59.36 58.00 1a5u h GLU 479 Cb 1.23 -0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.39 1a5u h GLU 479 CO 0.60 0.43 -0.46 0.00 -0.73 0.00 0.00 179.01 178.84 1a5u s ALA 480 N -4.18 3.41 0.26 2.92 0.00 -1.26 -4.99 121.76 117.91 1a5u s ALA 480 Ca -0.03 -1.70 -0.09 0.00 0.00 0.00 0.00 51.96 50.14 1a5u s ALA 480 Cb 0.14 -2.77 0.42 0.00 0.00 0.00 0.00 23.12 20.91 1a5u s ALA 480 CO 0.74 -1.40 1.59 2.35 0.00 0.00 0.00 175.76 179.03 1a5u h TRP 481 N 8.55 -0.38 -0.60 0.00 2.91 -1.99 0.40 115.95 124.84 1a5u h TRP 481 Ca -0.27 0.07 -0.06 0.00 1.13 0.00 0.00 58.89 59.77 1a5u h TRP 481 Cb 1.12 0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 30.04 1a5u h TRP 481 CO 0.56 -0.36 0.15 0.00 -1.03 0.00 0.00 178.44 177.76 1a5u h ALA 482 N 1.86 0.79 -0.14 2.65 0.00 -1.95 -0.44 119.26 122.04 1a5u h ALA 482 Ca 0.43 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1a5u h ALA 482 Cb 0.70 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1a5u h ALA 482 CO -0.87 0.50 0.09 0.93 0.00 0.00 0.00 179.25 179.90 1a5u h GLU 483 N 0.87 0.18 -0.38 0.00 5.08 -1.19 -0.29 114.58 118.85 1a5u h GLU 483 Ca 0.19 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1a5u h GLU 483 Cb 0.35 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 1a5u h GLU 483 CO 0.00 0.12 0.10 0.22 -1.00 0.00 0.00 179.01 178.45 1a5u h ASP 484 N 0.19 0.06 -0.32 1.42 3.58 -0.08 0.14 116.42 121.40 1a5u h ASP 484 Ca 0.05 0.06 0.07 0.00 0.42 0.00 0.00 57.03 57.63 1a5u h ASP 484 Cb -0.02 0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.02 1a5u h ASP 484 CO -0.01 0.07 -0.18 0.58 -2.88 0.00 0.00 179.24 176.82 1a5u h VAL 485 N 0.24 0.49 -0.51 2.25 2.07 -0.75 -0.39 116.25 119.65 1a5u h VAL 485 Ca 0.18 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.75 1a5u h VAL 485 Cb 0.20 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1a5u h VAL 485 CO -0.22 0.00 0.26 0.44 0.02 0.00 0.00 177.57 178.07 1a5u h ASP 486 N -0.13 0.36 -0.26 0.57 3.32 0.17 0.16 116.42 120.62 1a5u h ASP 486 Ca 0.17 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.27 1a5u h ASP 486 Cb 0.38 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 1a5u h ASP 486 CO -0.40 0.25 -0.31 0.25 -1.72 0.00 0.00 179.24 177.31 1a5u h LEU 487 N 0.50 -1.04 -0.68 1.55 6.46 -0.21 0.34 115.31 122.23 1a5u h LEU 487 Ca 0.23 0.14 0.04 0.00 -0.12 0.00 0.00 57.88 58.17 1a5u h LEU 487 Cb 0.14 0.43 -0.05 0.00 -0.73 0.00 0.00 40.66 40.45 1a5u h LEU 487 CO -0.16 -0.21 0.41 0.03 -0.62 0.00 0.00 178.44 177.88 1a5u h ARG 488 N -0.20 0.75 -0.50 1.25 3.08 -0.19 -2.60 114.38 115.97 1a5u h ARG 488 Ca 0.04 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1a5u h ARG 488 Cb 0.31 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 1a5u h ARG 488 CO -0.34 0.50 0.22 0.28 -1.07 0.00 0.00 179.97 179.56 1a5u h VAL 489 N 0.77 0.90 -0.47 2.04 2.07 0.41 -2.00 116.25 119.98 1a5u h VAL 489 Ca 0.29 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 1a5u h VAL 489 Cb 0.09 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1a5u h VAL 489 CO -0.14 0.08 0.19 0.78 0.02 0.00 0.00 177.57 178.50 1a5u h ASN 490 N 0.44 0.60 -0.90 0.57 2.35 -0.02 0.55 115.58 119.17 1a5u h ASN 490 Ca 0.23 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1a5u h ASN 490 Cb 0.19 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 1a5u h ASN 490 CO -0.19 0.55 0.49 0.25 -1.65 0.00 0.00 177.43 176.88 1a5u h LEU 491 N 0.67 1.12 -0.34 1.61 5.85 -1.08 1.52 115.31 124.66 1a5u h LEU 491 Ca 0.16 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1a5u h LEU 491 Cb 0.13 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1a5u h LEU 491 CO -0.02 0.90 0.02 0.00 -0.34 0.00 0.00 178.44 179.01 1a5u h ALA 492 N 1.28 0.45 -0.70 1.25 0.00 -0.44 -0.27 119.26 120.83 1a5u h ALA 492 Ca 0.32 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1a5u h ALA 492 Cb 0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1a5u h ALA 492 CO -0.05 0.18 0.33 0.52 0.00 0.00 0.00 179.25 180.23 1a5u h MET 493 N 0.39 0.53 -0.12 0.00 2.86 0.16 -1.97 114.93 116.80 1a5u h MET 493 Ca 0.10 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1a5u h MET 493 Cb 0.41 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1a5u h MET 493 CO 0.01 0.35 0.05 -0.91 1.06 0.00 0.00 176.91 177.47 1a5u h ASN 494 N 0.55 0.16 -0.03 1.22 4.21 0.26 -2.39 115.58 119.57 1a5u h ASN 494 Ca 0.35 -0.16 0.02 0.00 1.21 0.00 0.00 56.30 57.71 1a5u h ASN 494 Cb 0.40 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 1a5u h ASN 494 CO -0.29 0.28 -0.07 0.58 -1.29 0.00 0.00 177.43 176.64 1a5u h VAL 495 N 0.03 0.81 -0.61 2.81 2.07 -0.62 0.79 116.25 121.53 1a5u h VAL 495 Ca 0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.67 1a5u h VAL 495 Cb 0.17 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 1a5u h VAL 495 CO -0.00 0.00 0.14 1.23 0.02 0.00 0.00 177.57 178.96 1a5u h GLY 496 N -0.11 0.78 0.69 2.17 0.00 -1.42 1.93 103.07 107.11 1a5u h GLY 496 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1a5u h GLY 496 CO -0.09 -0.11 -0.51 0.50 0.00 0.00 0.00 176.54 176.33 1a5u h LYS 497 N 0.27 -1.10 -0.29 4.80 6.56 -0.82 2.53 116.57 128.53 1a5u h LYS 497 Ca 0.32 0.08 0.07 0.00 -1.06 0.00 0.00 60.65 60.05 1a5u h LYS 497 Cb 0.47 0.25 -0.07 0.00 -0.57 0.00 0.00 32.23 32.31 1a5u h LYS 497 CO -0.40 -0.73 -0.17 0.00 -2.06 0.00 0.00 179.45 176.09 1a5u h ALA 498 N -1.06 0.04 0.00 3.86 0.00 0.25 0.44 119.26 122.80 1a5u h ALA 498 Ca -0.09 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a5u h ALA 498 Cb 0.94 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1a5u h ALA 498 CO 0.04 -0.57 0.00 0.54 0.00 0.00 0.00 179.25 179.26 1a5u n ARG 499 N -5.33 0.83 -3.67 0.00 1.74 0.64 -4.83 116.66 106.04 1a5u n ARG 499 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1a5u n ARG 499 Cb 0.25 -1.03 0.06 0.00 -1.02 0.00 0.00 32.46 30.71 1a5u n ARG 499 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5u n GLY 500 N 0.35 -0.46 0.08 -0.13 0.00 0.32 -4.88 105.19 100.48 1a5u n GLY 500 Ca 0.01 0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1a5u n GLY 500 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a5u h PHE 501 N -2.26 0.13 -2.98 1.61 0.04 0.40 -3.45 116.94 110.45 1a5u h PHE 501 Ca -0.58 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.06 1a5u h PHE 501 Cb 1.36 -0.01 -0.13 0.00 2.20 0.00 0.00 35.95 39.38 1a5u h PHE 501 CO 0.50 1.11 0.16 -0.59 -0.60 0.00 0.00 178.31 178.89 1a5u s PHE 502 N -2.65 -0.49 0.55 -0.55 -0.12 -1.22 -4.92 117.98 108.58 1a5u s PHE 502 Ca -0.03 0.32 0.08 0.00 -0.05 0.00 0.00 56.93 57.25 1a5u s PHE 502 Cb 0.08 0.49 0.06 0.00 -0.63 0.00 0.00 43.02 43.03 1a5u s PHE 502 CO 0.83 -0.80 0.60 0.15 -0.05 0.00 0.00 175.22 175.95 1a5u s LYS 503 N -3.51 2.30 0.38 1.99 1.02 -1.26 -4.08 119.74 116.57 1a5u s LYS 503 Ca 0.00 -1.80 -0.27 0.00 0.02 0.00 0.00 55.97 53.92 1a5u s LYS 503 Cb -0.00 -2.39 -0.09 0.00 -0.52 0.00 0.00 37.83 34.82 1a5u s LYS 503 CO -0.11 -0.71 1.25 0.21 -0.92 0.00 0.00 175.35 175.07 1a5u s LYS 504 N -4.46 4.14 0.00 1.68 2.20 -1.26 -1.84 119.74 120.20 1a5u s LYS 504 Ca 0.49 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 1a5u s LYS 504 Cb -0.04 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1a5u s LYS 504 CO 0.30 -0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 1a5u n GLY 505 N 0.73 0.50 3.93 5.54 0.00 0.18 -4.90 105.19 111.17 1a5u n GLY 505 Ca 0.03 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1a5u n GLY 505 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a5u s ASP 506 N -2.11 5.92 -0.09 1.61 1.01 -0.76 -4.74 116.67 117.52 1a5u s ASP 506 Ca 0.00 0.52 0.03 0.00 0.71 0.00 0.00 52.55 53.81 1a5u s ASP 506 Cb 0.00 -1.77 -0.02 0.00 1.01 0.00 0.00 42.92 42.14 1a5u s ASP 506 CO 0.00 -0.70 -0.16 -0.69 0.21 0.00 0.00 175.17 173.82 1a5u s VAL 507 N -2.66 2.83 0.02 -1.27 1.01 -1.26 0.10 120.40 119.18 1a5u s VAL 507 Ca 0.48 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1a5u s VAL 507 Cb -0.10 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1a5u s VAL 507 CO 0.41 0.56 -0.10 -0.69 0.00 0.00 0.00 175.10 175.27 1a5u s VAL 508 N -0.15 0.79 -0.16 2.92 1.01 0.24 0.29 120.40 125.34 1a5u s VAL 508 Ca -0.02 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 1a5u s VAL 508 Cb -0.14 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1a5u s VAL 508 CO 0.03 0.01 0.45 -0.63 0.00 0.00 0.00 175.10 174.97 1a5u s ILE 509 N -0.66 5.18 -0.28 2.22 -1.09 -0.54 -0.35 121.20 125.68 1a5u s ILE 509 Ca 0.00 0.86 -0.06 0.00 -2.23 0.00 0.00 60.65 59.22 1a5u s ILE 509 Cb -0.06 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1a5u s ILE 509 CO 0.00 0.27 0.06 -0.69 -1.23 0.00 0.00 174.94 173.36 1a5u s VAL 510 N 1.04 3.87 -0.32 2.92 1.01 0.14 0.18 120.40 129.23 1a5u s VAL 510 Ca 0.23 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1a5u s VAL 510 Cb -0.15 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 1a5u s VAL 510 CO 0.09 0.14 0.17 -0.76 0.00 0.00 0.00 175.10 174.74 1a5u s LEU 511 N 1.50 4.22 0.33 3.92 1.43 1.36 -2.18 118.68 129.25 1a5u s LEU 511 Ca 0.03 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1a5u s LEU 511 Cb -0.17 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1a5u s LEU 511 CO 0.02 -0.22 0.18 0.42 0.23 0.00 0.00 176.35 176.97 1a5u s THR 512 N 1.62 0.31 -0.00 5.49 -4.23 -0.31 -1.47 115.64 117.04 1a5u s THR 512 Ca 0.04 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1a5u s THR 512 Cb -0.17 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1a5u s THR 512 CO 0.07 0.00 0.08 -0.83 -0.54 0.00 0.00 174.62 173.40 1a5u s GLY 513 N -3.41 2.02 0.05 3.99 0.00 -1.26 -0.86 107.32 107.85 1a5u s GLY 513 Ca 0.35 -0.87 -0.25 0.00 0.00 0.00 0.00 44.72 43.94 1a5u s GLY 513 CO 0.19 -0.75 1.56 -0.25 0.00 0.00 0.00 173.10 173.84 1a5u h TRP 514 N 4.06 -0.17 -3.58 1.90 2.91 -1.87 -3.45 115.95 115.75 1a5u h TRP 514 Ca -0.49 -0.00 -0.45 0.00 1.13 0.00 0.00 58.89 59.07 1a5u h TRP 514 Cb 1.18 0.06 -0.19 0.00 -0.51 0.00 0.00 29.16 29.70 1a5u h TRP 514 CO 0.64 0.01 -0.77 1.03 -1.03 0.00 0.00 178.44 178.32 1a5u s ARG 515 N -5.57 1.08 0.22 2.65 0.52 -1.26 -5.01 118.95 111.58 1a5u s ARG 515 Ca -0.14 -1.25 -0.32 0.00 -0.52 0.00 0.00 55.73 53.50 1a5u s ARG 515 Cb 0.04 -1.05 -0.14 0.00 0.52 0.00 0.00 34.95 34.33 1a5u s ARG 515 CO 0.64 0.21 1.40 -0.35 0.02 0.00 0.00 175.30 177.22 1a5u n PRO 516 N 0.59 1.94 -2.81 3.54 -0.05 -1.26 -1.51 135.00 135.44 1a5u n PRO 516 Ca -0.16 0.69 -0.11 0.00 -0.05 0.00 0.00 63.50 63.87 1a5u n PRO 516 Cb 0.56 -2.34 0.05 0.00 -0.05 0.00 0.00 33.50 31.73 1a5u n PRO 516 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1a5u n GLY 517 N 2.25 -0.47 0.02 0.55 0.00 -1.26 -4.94 105.19 101.35 1a5u n GLY 517 Ca 0.12 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.51 1a5u n GLY 517 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a5u n SER 518 N -2.69 0.63 0.00 1.61 2.88 -0.57 -5.00 113.62 110.49 1a5u n SER 518 Ca -0.09 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 1a5u n SER 518 Cb 0.59 0.54 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 1a5u n SER 518 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a5u n GLY 519 N 1.43 1.95 3.32 0.46 0.00 -1.26 -4.87 105.19 106.21 1a5u n GLY 519 Ca 0.04 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 1a5u n GLY 519 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a5u s PHE 520 N 0.00 1.40 -0.91 1.61 -0.71 -1.26 -5.00 117.98 113.11 1a5u s PHE 520 Ca 0.00 -1.47 -0.24 0.00 -1.04 0.00 0.00 56.93 54.18 1a5u s PHE 520 Cb 0.00 -0.50 -0.01 0.00 -1.21 0.00 0.00 43.02 41.30 1a5u s PHE 520 CO 0.00 -0.87 1.75 -0.08 -1.34 0.00 0.00 175.22 174.68 1a5u s THR 521 N -3.58 3.61 -1.35 -4.49 -1.32 -1.26 -4.57 115.64 102.67 1a5u s THR 521 Ca 0.37 -0.40 0.16 0.00 -1.21 0.00 0.00 61.69 60.61 1a5u s THR 521 Cb 0.03 -4.38 0.60 0.00 -1.51 0.00 0.00 72.50 67.23 1a5u s THR 521 CO 0.21 -1.31 1.48 -0.46 -2.21 0.00 0.00 174.62 172.34 1a5u n ASN 522 N 12.00 3.94 -3.93 8.08 2.04 -1.04 -4.81 115.26 131.53 1a5u n ASN 522 Ca 0.34 -2.31 -0.22 0.00 -0.44 0.00 0.00 54.58 51.95 1a5u n ASN 522 Cb 0.49 -0.51 -0.16 0.00 -2.53 0.00 0.00 39.78 37.06 1a5u n ASN 522 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1a5u s THR 523 N -1.69 0.75 -0.03 5.53 2.01 -0.04 -4.79 115.64 117.38 1a5u s THR 523 Ca 0.43 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.23 1a5u s THR 523 Cb 0.27 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 72.03 1a5u s THR 523 CO 0.22 0.28 -0.14 -0.32 -0.69 0.00 0.00 174.62 173.97 1a5u s MET 524 N 0.93 1.40 -0.01 4.92 1.75 -1.25 -1.16 119.30 125.87 1a5u s MET 524 Ca -0.11 -0.49 -0.07 0.00 -1.25 0.00 0.00 55.69 53.77 1a5u s MET 524 Cb -0.15 -1.26 0.01 0.00 2.84 0.00 0.00 34.83 36.27 1a5u s MET 524 CO 0.01 0.21 0.16 1.03 -0.65 0.00 0.00 175.02 175.77 1a5u s ARG 525 N 0.03 0.43 -0.19 4.11 0.52 -0.93 -4.96 118.95 117.96 1a5u s ARG 525 Ca -0.02 -0.23 -0.13 0.00 -0.52 0.00 0.00 55.73 54.83 1a5u s ARG 525 Cb -0.10 0.18 -0.05 0.00 0.52 0.00 0.00 34.95 35.51 1a5u s ARG 525 CO 0.01 -0.10 0.27 0.08 0.02 0.00 0.00 175.30 175.58 1a5u s VAL 526 N -1.03 5.31 0.02 3.52 1.01 -1.26 0.24 120.40 128.21 1a5u s VAL 526 Ca -0.11 0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 1a5u s VAL 526 Cb -0.06 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1a5u s VAL 526 CO 0.01 0.35 0.03 0.68 0.00 0.00 0.00 175.10 176.18 1a5u s VAL 527 N 0.79 0.12 0.19 2.92 -7.23 0.53 -4.98 120.40 112.74 1a5u s VAL 527 Ca 0.14 -1.00 -0.15 0.00 -1.81 0.00 0.00 61.98 59.16 1a5u s VAL 527 Cb -0.13 -0.56 -0.07 0.00 0.56 0.00 0.00 36.38 36.17 1a5u s VAL 527 CO 0.04 -0.55 0.60 -2.16 -0.31 0.00 0.00 175.10 172.72 1a5u s PRO 528 N -1.94 4.01 0.11 4.82 0.04 -1.26 0.82 135.00 141.60 1a5u s PRO 528 Ca -0.11 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.18 1a5u s PRO 528 Cb -0.06 -2.82 -0.07 0.00 0.04 0.00 0.00 34.50 31.59 1a5u s PRO 528 CO -0.02 0.40 1.17 0.08 0.04 0.00 0.00 177.00 178.67 1a5u s VAL 529 N -1.59 3.92 -2.00 -0.36 1.01 0.28 -4.86 120.40 116.81 1a5u s VAL 529 Ca 0.42 1.48 0.22 0.00 0.00 0.00 0.00 61.98 64.10 1a5u s VAL 529 Cb -0.14 -3.95 0.62 0.00 0.00 0.00 0.00 36.38 32.91 1a5u s VAL 529 CO 0.20 0.17 1.69 -2.65 0.00 0.00 0.00 175.10 174.51