#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n62 n VAL 7 N 0.00 0.20 -3.14 12.58 0.24 -1.26 -4.18 118.33 122.78 1n62 n VAL 7 Ca 0.00 -0.41 -0.25 0.00 -2.04 0.00 0.00 64.34 61.65 1n62 n VAL 7 Cb 0.00 0.04 -0.05 0.00 -1.47 0.00 0.00 33.84 32.36 1n62 n VAL 7 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1n62 n GLU 8 N -2.23 2.26 -1.95 7.34 1.02 -1.26 -5.10 120.64 120.72 1n62 n GLU 8 Ca -0.01 -4.28 -0.38 0.00 -0.02 0.00 0.00 57.16 52.47 1n62 n GLU 8 Cb 0.51 -2.00 0.03 0.00 -0.02 0.00 0.00 31.44 29.96 1n62 n GLU 8 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1n62 s PRO 9 N -2.74 3.26 0.95 3.49 0.04 -1.26 -4.99 135.00 133.75 1n62 s PRO 9 Ca 0.43 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.40 1n62 s PRO 9 Cb 0.25 -2.23 0.16 0.00 0.04 0.00 0.00 34.50 32.73 1n62 s PRO 9 CO -0.09 -1.04 1.10 0.95 0.04 0.00 0.00 177.00 177.96 1n62 s THR 10 N -1.42 2.37 0.23 1.26 -4.23 -1.26 -4.69 115.64 107.90 1n62 s THR 10 Ca 0.71 0.12 -0.06 0.00 -1.18 0.00 0.00 61.69 61.27 1n62 s THR 10 Cb -0.36 -2.32 0.19 0.00 1.34 0.00 0.00 72.50 71.35 1n62 s THR 10 CO 0.42 -0.16 1.73 0.28 -0.54 0.00 0.00 174.62 176.36 1n62 h SER 11 N -1.88 0.25 -0.74 3.99 0.02 -1.95 0.11 113.55 113.35 1n62 h SER 11 Ca -0.49 0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.49 1n62 h SER 11 Cb 1.28 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.87 1n62 h SER 11 CO 0.48 0.12 0.21 0.00 -1.14 0.00 0.00 176.83 176.50 1n62 h ALA 12 N 1.50 0.97 -0.67 3.77 0.00 -1.99 -0.06 119.26 122.79 1n62 h ALA 12 Ca 0.37 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1n62 h ALA 12 Cb 0.53 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1n62 h ALA 12 CO -0.37 0.67 0.20 0.93 0.00 0.00 0.00 179.25 180.69 1n62 h GLU 13 N 1.11 1.04 -0.56 0.00 5.08 -1.66 0.36 114.58 119.95 1n62 h GLU 13 Ca 0.24 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1n62 h GLU 13 Cb 0.34 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1n62 h GLU 13 CO -0.00 0.91 -0.01 0.00 -1.00 0.00 0.00 179.01 178.90 1n62 h ARG 14 N 0.97 1.00 -0.73 2.33 3.08 -0.46 -1.57 114.38 119.00 1n62 h ARG 14 Ca 0.21 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1n62 h ARG 14 Cb 0.31 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1n62 h ARG 14 CO -0.01 1.01 0.37 0.00 -1.07 0.00 0.00 179.97 180.27 1n62 h ALA 15 N 0.96 0.94 -0.80 0.04 0.00 -0.77 -2.69 119.26 116.94 1n62 h ALA 15 Ca 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1n62 h ALA 15 Cb 0.56 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1n62 h ALA 15 CO 0.03 0.48 0.33 1.49 0.00 0.00 0.00 179.25 181.59 1n62 h GLU 16 N 1.02 1.18 0.00 0.00 4.81 -0.62 -1.57 114.58 119.40 1n62 h GLU 16 Ca 0.25 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1n62 h GLU 16 Cb 0.09 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1n62 h GLU 16 CO -0.04 0.94 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.94 1n62 h LYS 17 N 1.15 0.00 -0.38 1.92 3.64 -0.98 -2.14 116.57 119.78 1n62 h LYS 17 Ca 0.27 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.60 1n62 h LYS 17 Cb 0.19 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1n62 h LYS 17 CO -0.02 0.03 0.04 -0.07 -2.27 0.00 0.00 179.45 177.15 1n62 h LEU 18 N 0.00 0.55 -1.88 5.20 3.38 -0.98 -3.42 115.31 118.16 1n62 h LEU 18 Ca -0.00 -0.10 -0.41 0.00 0.09 0.00 0.00 57.88 57.46 1n62 h LEU 18 Cb 0.44 -0.14 0.06 0.00 0.09 0.00 0.00 40.66 41.11 1n62 h LEU 18 CO 0.00 0.59 -0.84 0.00 0.09 0.00 0.00 178.44 178.29 1n62 n GLN 19 N -4.29 -4.65 0.00 1.13 6.02 -0.80 -0.99 117.38 113.79 1n62 n GLN 19 Ca 0.02 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.63 1n62 n GLN 19 Cb 0.23 -5.16 0.00 0.00 1.02 0.00 0.00 30.24 26.33 1n62 n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n62 n GLY 20 N -1.56 1.78 3.61 1.08 0.00 -1.26 -4.63 105.19 104.22 1n62 n GLY 20 Ca -0.28 -1.80 -0.50 0.00 0.00 0.00 0.00 46.02 43.44 1n62 n GLY 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1n62 n MET 21 N 0.00 1.47 0.00 1.61 2.81 -1.16 -1.47 117.12 120.38 1n62 n MET 21 Ca 0.00 0.53 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 1n62 n MET 21 Cb 0.00 -2.19 0.00 0.00 -0.71 0.00 0.00 33.22 30.32 1n62 n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n62 n GLY 22 N 2.68 2.15 3.79 3.03 0.00 0.14 -5.02 105.19 111.96 1n62 n GLY 22 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1n62 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 n LYS 24 N 0.09 3.98 -2.09 0.00 5.02 -1.26 -4.28 118.16 119.62 1n62 n LYS 24 Ca 0.04 -2.84 -0.42 0.00 -2.02 0.00 0.00 58.31 53.07 1n62 n LYS 24 Cb 0.51 -2.79 -0.03 0.00 -0.02 0.00 0.00 35.03 32.71 1n62 n LYS 24 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1n62 s ARG 25 N 0.80 4.30 0.58 1.97 3.52 -1.26 -4.93 118.95 123.93 1n62 s ARG 25 Ca 0.59 2.19 -0.16 0.00 -0.13 0.00 0.00 55.73 58.21 1n62 s ARG 25 Cb 0.17 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 1n62 s ARG 25 CO -0.07 -0.43 1.07 0.15 -0.81 0.00 0.00 175.30 175.20 1n62 s LYS 26 N 0.51 3.31 0.13 5.12 -0.14 -1.26 -4.91 119.74 122.50 1n62 s LYS 26 Ca 0.63 1.28 -0.27 0.00 -1.36 0.00 0.00 55.97 56.25 1n62 s LYS 26 Cb -0.39 -2.03 -0.07 0.00 -1.68 0.00 0.00 37.83 33.66 1n62 s LYS 26 CO 0.35 -0.82 0.83 1.03 -0.76 0.00 0.00 175.35 175.98 1n62 s ARG 27 N -3.91 4.61 0.33 1.68 0.52 -1.26 -4.93 118.95 115.99 1n62 s ARG 27 Ca 0.65 1.24 0.13 0.00 -0.52 0.00 0.00 55.73 57.23 1n62 s ARG 27 Cb -0.17 -3.32 0.56 0.00 0.52 0.00 0.00 34.95 32.54 1n62 s ARG 27 CO 0.35 0.40 1.71 -0.39 0.02 0.00 0.00 175.30 177.38 1n62 h VAL 28 N 3.71 1.25 0.00 3.52 -1.51 -1.93 -3.00 116.25 118.30 1n62 h VAL 28 Ca -0.45 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.27 1n62 h VAL 28 Cb 1.21 1.95 -0.00 0.00 -2.13 0.00 0.00 31.29 32.31 1n62 h VAL 28 CO 0.69 0.47 -0.16 -0.33 -1.23 0.00 0.00 177.57 177.01 1n62 h GLU 29 N 0.00 0.00 -0.00 5.19 3.07 -1.92 -2.95 114.58 117.97 1n62 h GLU 29 Ca -0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 1n62 h GLU 29 Cb 0.91 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 1n62 h GLU 29 CO 0.06 0.16 -0.42 -0.44 -1.40 0.00 0.00 179.01 176.97 1n62 h ASP 30 N 0.00 0.01 -0.05 1.42 3.32 -1.93 -2.04 116.42 117.15 1n62 h ASP 30 Ca -0.00 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1n62 h ASP 30 Cb 0.43 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1n62 h ASP 30 CO 0.02 0.43 -0.15 0.40 -1.72 0.00 0.00 179.24 178.22 1n62 h ILE 31 N 0.01 0.62 -0.16 0.35 1.08 -1.70 0.06 117.51 117.77 1n62 h ILE 31 Ca -0.00 0.00 -0.21 0.00 -0.39 0.00 0.00 64.86 64.26 1n62 h ILE 31 Cb 0.75 0.62 0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1n62 h ILE 31 CO 0.06 0.00 -0.72 0.08 -0.69 0.00 0.00 178.15 176.87 1n62 h ARG 32 N -0.23 0.77 -0.20 2.37 0.11 -1.71 -3.24 114.38 112.24 1n62 h ARG 32 Ca 0.07 -0.62 -0.13 0.00 0.10 0.00 0.00 59.98 59.40 1n62 h ARG 32 Cb 0.31 0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 1n62 h ARG 32 CO -0.18 1.23 -0.41 0.74 0.10 0.00 0.00 179.97 181.44 1n62 h PHE 33 N 0.49 0.56 0.00 4.08 0.04 -1.17 0.86 116.94 121.80 1n62 h PHE 33 Ca -0.05 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1n62 h PHE 33 Cb 1.35 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.38 1n62 h PHE 33 CO 0.09 0.81 0.00 0.25 -0.60 0.00 0.00 178.31 178.86 1n62 n THR 34 N -4.02 0.82 -0.09 -1.55 -2.24 -0.01 -2.64 114.28 104.54 1n62 n THR 34 Ca -0.02 0.18 0.05 0.00 -2.27 0.00 0.00 64.05 61.99 1n62 n THR 34 Cb 0.51 -0.99 0.12 0.00 -2.10 0.00 0.00 70.33 67.87 1n62 n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n62 n GLN 35 N -1.83 2.62 -1.94 -0.78 6.02 -0.60 -4.97 117.38 115.90 1n62 n GLN 35 Ca 0.03 -1.86 -0.11 0.00 -0.01 0.00 0.00 57.00 55.06 1n62 n GLN 35 Cb 0.23 -1.22 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 1n62 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n62 n GLY 36 N 0.35 0.30 0.81 1.08 0.00 -0.80 -4.90 105.19 102.03 1n62 n GLY 36 Ca 0.09 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.72 1n62 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n62 n LYS 37 N -2.21 2.66 -0.61 1.61 4.76 0.19 -4.95 118.16 119.61 1n62 n LYS 37 Ca -0.12 -2.83 -0.30 0.00 -2.87 0.00 0.00 58.31 52.18 1n62 n LYS 37 Cb 0.52 -1.80 0.20 0.00 -1.84 0.00 0.00 35.03 32.11 1n62 n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n62 n GLY 38 N -0.66 -1.34 2.72 0.72 0.00 -1.22 -4.80 105.19 100.59 1n62 n GLY 38 Ca 0.21 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1n62 n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1n62 s ASN 39 N -2.42 3.78 0.33 1.61 2.47 -1.26 -5.04 114.94 114.42 1n62 s ASN 39 Ca 0.66 -2.25 0.05 0.00 0.42 0.00 0.00 52.86 51.73 1n62 s ASN 39 Cb -0.23 -0.96 -0.01 0.00 -1.45 0.00 0.00 41.25 38.59 1n62 s ASN 39 CO 0.62 -0.32 0.48 -0.31 -3.72 0.00 0.00 177.10 173.85 1n62 s TYR 40 N 0.84 3.25 0.21 0.43 1.51 -1.26 -0.49 117.35 121.84 1n62 s TYR 40 Ca 0.15 -0.05 -0.10 0.00 -1.01 0.00 0.00 57.07 56.06 1n62 s TYR 40 Cb -0.22 -1.94 0.28 0.00 -0.11 0.00 0.00 41.96 39.97 1n62 s TYR 40 CO -0.08 0.05 1.70 0.28 -1.11 0.00 0.00 175.55 176.39 1n62 h VAL 41 N 0.86 0.64 0.00 0.71 2.07 -1.94 0.11 116.25 118.70 1n62 h VAL 41 Ca -0.48 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1n62 h VAL 41 Cb 1.25 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1n62 h VAL 41 CO 0.56 0.05 0.00 -0.67 0.02 0.00 0.00 177.57 177.53 1n62 n ASP 42 N -5.14 0.00 0.12 0.57 2.03 -1.26 -1.27 116.55 111.60 1n62 n ASP 42 Ca 0.08 0.24 0.13 0.00 0.52 0.00 0.00 54.79 55.76 1n62 n ASP 42 Cb 0.31 -0.39 0.44 0.00 -0.72 0.00 0.00 41.12 40.77 1n62 n ASP 42 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1n62 n ASP 43 N -1.39 0.78 -4.72 1.67 8.00 0.36 -4.82 116.55 116.43 1n62 n ASP 43 Ca 0.07 0.62 -0.42 0.00 0.71 0.00 0.00 54.79 55.78 1n62 n ASP 43 Cb 0.20 -0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 40.46 1n62 n ASP 43 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1n62 s VAL 44 N -3.20 4.08 -0.05 2.53 1.01 -0.40 -4.99 120.40 119.38 1n62 s VAL 44 Ca 0.08 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1n62 s VAL 44 Cb 0.11 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.50 1n62 s VAL 44 CO 0.51 0.17 -0.02 -0.54 0.00 0.00 0.00 175.10 175.22 1n62 s LYS 45 N 0.58 0.72 0.15 2.72 1.02 -1.26 -5.09 119.74 118.58 1n62 s LYS 45 Ca 0.55 -0.02 0.09 0.00 0.02 0.00 0.00 55.97 56.61 1n62 s LYS 45 Cb -0.28 -0.87 -0.04 0.00 -0.52 0.00 0.00 37.83 36.12 1n62 s LYS 45 CO 0.31 -0.17 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.85 1n62 s LEU 46 N 1.31 2.38 0.20 3.17 1.43 -1.26 -5.08 118.68 120.83 1n62 s LEU 46 Ca -0.05 -0.80 -0.32 0.00 -1.03 0.00 0.00 54.13 51.93 1n62 s LEU 46 Cb -0.13 -0.93 -0.13 0.00 0.03 0.00 0.00 46.19 45.03 1n62 s LEU 46 CO -0.02 0.04 1.66 -2.65 0.23 0.00 0.00 176.35 175.60 1n62 n PRO 47 N 0.60 2.56 -0.97 1.29 -0.02 -1.26 -1.77 135.00 135.42 1n62 n PRO 47 Ca -0.16 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1n62 n PRO 47 Cb 0.55 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1n62 n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n62 n GLY 48 N 3.60 0.94 3.76 -1.23 0.00 -1.26 -4.56 105.19 106.43 1n62 n GLY 48 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1n62 n GLY 48 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1n62 s MET 49 N -0.03 4.21 0.49 1.61 0.00 -0.73 -4.25 119.30 120.60 1n62 s MET 49 Ca 0.00 2.42 0.07 0.00 0.00 0.00 0.00 55.69 58.18 1n62 s MET 49 Cb 0.00 -3.05 0.01 0.00 0.00 0.00 0.00 34.83 31.79 1n62 s MET 49 CO 0.00 -0.47 0.43 -0.51 0.00 0.00 0.00 175.02 174.47 1n62 s LEU 50 N -0.99 3.06 -0.05 4.11 1.43 0.91 -4.87 118.68 122.27 1n62 s LEU 50 Ca 0.57 -0.98 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1n62 s LEU 50 Cb -0.44 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1n62 s LEU 50 CO 0.50 -0.91 -0.16 0.12 0.23 0.00 0.00 176.35 176.13 1n62 s PHE 51 N -2.62 1.65 0.08 0.29 2.19 0.21 -0.34 117.98 119.44 1n62 s PHE 51 Ca 0.44 -0.52 0.09 0.00 0.33 0.00 0.00 56.93 57.26 1n62 s PHE 51 Cb -0.03 -1.14 -0.03 0.00 -1.31 0.00 0.00 43.02 40.51 1n62 s PHE 51 CO 0.26 -0.21 -0.24 0.20 1.83 0.00 0.00 175.22 177.06 1n62 s GLY 52 N 0.23 1.52 0.31 13.12 0.00 0.90 -0.42 107.32 122.98 1n62 s GLY 52 Ca -0.08 -1.33 -0.17 0.00 0.00 0.00 0.00 44.72 43.14 1n62 s GLY 52 CO 0.03 -1.25 0.69 -0.35 0.00 0.00 0.00 173.10 172.22 1n62 s ASP 53 N -1.63 -0.08 -0.06 1.64 2.15 -0.12 -4.35 116.67 114.22 1n62 s ASP 53 Ca 0.14 -0.87 -0.04 0.00 0.43 0.00 0.00 52.55 52.20 1n62 s ASP 53 Cb -0.10 0.74 -0.04 0.00 -0.30 0.00 0.00 42.92 43.22 1n62 s ASP 53 CO 0.05 -1.42 0.13 -0.36 -0.17 0.00 0.00 175.17 173.40 1n62 s PHE 54 N -3.39 3.50 -0.05 -5.34 0.08 -1.26 -0.07 117.98 111.45 1n62 s PHE 54 Ca 0.15 0.40 -0.30 0.00 0.12 0.00 0.00 56.93 57.30 1n62 s PHE 54 Cb -0.05 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 1n62 s PHE 54 CO 0.09 0.66 1.10 0.08 -0.10 0.00 0.00 175.22 177.05 1n62 s VAL 55 N -1.14 4.51 0.22 -0.44 1.01 0.57 -4.96 120.40 120.18 1n62 s VAL 55 Ca 0.20 1.80 0.11 0.00 0.00 0.00 0.00 61.98 64.09 1n62 s VAL 55 Cb -0.12 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1n62 s VAL 55 CO 0.10 0.04 -0.21 -0.13 0.00 0.00 0.00 175.10 174.89 1n62 s ARG 56 N 1.83 1.54 0.12 2.72 0.52 -1.26 -0.08 118.95 124.34 1n62 s ARG 56 Ca 0.53 -1.61 -0.30 0.00 -0.52 0.00 0.00 55.73 53.83 1n62 s ARG 56 Cb -0.22 -1.72 -0.07 0.00 0.52 0.00 0.00 34.95 33.46 1n62 s ARG 56 CO 0.22 0.35 1.14 0.45 0.02 0.00 0.00 175.30 177.48 1n62 s SER 57 N -3.02 7.18 0.14 0.23 0.15 0.12 -4.82 113.70 113.68 1n62 s SER 57 Ca 0.24 2.05 0.27 0.00 0.70 0.00 0.00 55.95 59.20 1n62 s SER 57 Cb -0.06 -2.59 0.87 0.00 -1.71 0.00 0.00 66.02 62.52 1n62 s SER 57 CO 0.11 -0.34 1.76 -1.54 1.20 0.00 0.00 173.24 174.44 1n62 n SER 58 N 3.09 0.59 -4.65 5.45 3.41 -1.26 -0.00 113.62 120.24 1n62 n SER 58 Ca 0.05 0.49 -0.33 0.00 -0.26 0.00 0.00 58.87 58.82 1n62 n SER 58 Cb 0.46 -0.60 -0.10 0.00 -0.26 0.00 0.00 64.21 63.72 1n62 n SER 58 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1n62 s HIS 59 N -3.08 3.02 0.15 7.33 3.76 -1.26 -4.86 115.29 120.35 1n62 s HIS 59 Ca 0.11 0.06 -0.02 0.00 -0.15 0.00 0.00 55.06 55.06 1n62 s HIS 59 Cb 0.14 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 1n62 s HIS 59 CO 0.59 0.43 1.36 0.00 -0.85 0.00 0.00 174.74 176.27 1n62 h ALA 60 N 4.57 0.46 -1.83 -1.40 0.00 -1.80 -3.23 119.26 116.03 1n62 h ALA 60 Ca -0.49 -0.68 -0.06 0.00 0.00 0.00 0.00 54.91 53.68 1n62 h ALA 60 Cb 1.18 -0.04 -0.26 0.00 0.00 0.00 0.00 17.79 18.66 1n62 h ALA 60 CO 0.56 0.82 -0.37 -1.58 0.00 0.00 0.00 179.25 178.68 1n62 s HIS 61 N -3.36 -1.07 -0.20 0.00 2.46 -1.26 -1.89 115.29 109.98 1n62 s HIS 61 Ca -0.05 1.36 -0.28 0.00 0.47 0.00 0.00 55.06 56.56 1n62 s HIS 61 Cb 0.10 0.30 0.11 0.00 -0.13 0.00 0.00 32.58 32.95 1n62 s HIS 61 CO 0.85 -0.70 0.91 0.00 -2.47 0.00 0.00 174.74 173.34 1n62 s ALA 62 N 2.67 -1.90 0.42 1.58 0.00 -0.84 -0.49 121.76 123.21 1n62 s ALA 62 Ca 0.10 1.70 -0.24 0.00 0.00 0.00 0.00 51.96 53.52 1n62 s ALA 62 Cb -0.14 -0.90 -0.08 0.00 0.00 0.00 0.00 23.12 22.00 1n62 s ALA 62 CO -0.17 -0.30 1.12 1.03 0.00 0.00 0.00 175.76 177.44 1n62 s ARG 63 N -0.47 3.98 -0.41 0.00 0.52 0.32 -0.45 118.95 122.45 1n62 s ARG 63 Ca -0.01 1.67 -0.17 0.00 -0.52 0.00 0.00 55.73 56.69 1n62 s ARG 63 Cb -0.03 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.96 1n62 s ARG 63 CO 0.00 -0.34 0.46 0.42 0.02 0.00 0.00 175.30 175.86 1n62 s ILE 64 N -1.58 5.06 -0.01 1.52 1.01 0.11 -0.48 121.20 126.84 1n62 s ILE 64 Ca 0.60 -0.18 0.11 0.00 0.00 0.00 0.00 60.65 61.19 1n62 s ILE 64 Cb -0.26 -4.02 -0.14 0.00 0.01 0.00 0.00 42.46 38.05 1n62 s ILE 64 CO 0.32 -0.38 1.15 0.11 0.00 0.00 0.00 174.94 176.14 1n62 h LYS 65 N 8.69 0.00 -1.26 2.79 1.79 -0.84 -3.45 116.57 124.29 1n62 h LYS 65 Ca -0.27 0.00 0.30 0.00 -2.18 0.00 0.00 60.65 58.50 1n62 h LYS 65 Cb 1.11 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.57 1n62 h LYS 65 CO 0.79 0.69 0.90 -1.54 -1.08 0.00 0.00 179.45 179.21 1n62 s SER 66 N -6.42 -0.07 -0.09 0.86 1.04 -1.21 -5.00 113.70 102.81 1n62 s SER 66 Ca 0.00 -0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.42 1n62 s SER 66 Cb 0.09 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.31 1n62 s SER 66 CO 0.80 -0.13 -0.04 -0.63 0.98 0.00 0.00 173.24 174.22 1n62 s ILE 67 N -2.23 0.72 -0.45 -1.02 1.01 -1.26 -1.21 121.20 116.77 1n62 s ILE 67 Ca 0.11 -0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 1n62 s ILE 67 Cb -0.01 -0.80 0.04 0.00 0.01 0.00 0.00 42.46 41.71 1n62 s ILE 67 CO -0.03 0.32 0.40 -0.62 0.00 0.00 0.00 174.94 175.00 1n62 s ASP 68 N 1.78 6.15 0.00 3.58 -1.08 0.15 -4.91 116.67 122.34 1n62 s ASP 68 Ca 0.04 -1.01 0.22 0.00 -0.52 0.00 0.00 52.55 51.29 1n62 s ASP 68 Cb -0.13 -2.20 0.33 0.00 -1.46 0.00 0.00 42.92 39.47 1n62 s ASP 68 CO -0.06 -0.60 1.32 0.35 0.52 0.00 0.00 175.17 176.70 1n62 n THR 69 N 5.29 0.34 -0.25 1.71 -2.24 -1.26 -1.29 114.28 116.57 1n62 n THR 69 Ca -0.10 -0.67 -0.05 0.00 -2.27 0.00 0.00 64.05 60.96 1n62 n THR 69 Cb 0.46 1.14 0.06 0.00 -2.10 0.00 0.00 70.33 69.89 1n62 n THR 69 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1n62 h SER 70 N 4.33 0.77 0.05 3.42 4.64 -1.91 0.07 113.55 124.92 1n62 h SER 70 Ca 0.00 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1n62 h SER 70 Cb 0.95 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1n62 h SER 70 CO 0.00 0.55 -0.45 0.11 -0.87 0.00 0.00 176.83 176.17 1n62 h LYS 71 N 0.91 0.48 -0.33 4.77 1.57 -1.83 -1.63 116.57 120.52 1n62 h LYS 71 Ca 0.26 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1n62 h LYS 71 Cb -0.07 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1n62 h LYS 71 CO -0.07 0.84 -0.03 0.00 -0.57 0.00 0.00 179.45 179.62 1n62 h ALA 72 N 1.12 0.44 -0.29 3.86 0.00 -1.65 -2.85 119.26 119.90 1n62 h ALA 72 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1n62 h ALA 72 Cb 0.95 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1n62 h ALA 72 CO 0.08 0.24 -0.01 0.87 0.00 0.00 0.00 179.25 180.43 1n62 h LYS 73 N 0.39 0.44 0.00 0.00 1.57 -0.78 -2.21 116.57 115.99 1n62 h LYS 73 Ca 0.09 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n62 h LYS 73 Cb 0.50 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1n62 h LYS 73 CO 0.02 0.48 0.00 0.00 -0.57 0.00 0.00 179.45 179.39 1n62 h ALA 74 N 1.57 1.00 -2.74 3.86 0.00 -1.15 -3.45 119.26 118.34 1n62 h ALA 74 Ca 0.09 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.48 1n62 h ALA 74 Cb 0.30 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.14 1n62 h ALA 74 CO 0.01 0.00 0.67 -1.17 0.00 0.00 0.00 179.25 178.76 1n62 s LEU 75 N -4.73 4.42 0.33 0.00 2.96 -0.83 -4.94 118.68 115.89 1n62 s LEU 75 Ca 0.09 2.52 -0.29 0.00 -0.22 0.00 0.00 54.13 56.24 1n62 s LEU 75 Cb 0.11 -3.62 -0.11 0.00 0.50 0.00 0.00 46.19 43.07 1n62 s LEU 75 CO 0.57 -0.55 1.49 -2.84 -1.32 0.00 0.00 176.35 173.69 1n62 s PRO 76 N -0.60 4.16 0.00 0.98 0.02 -1.26 -2.01 135.00 136.29 1n62 s PRO 76 Ca 0.55 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.07 1n62 s PRO 76 Cb -0.38 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1n62 s PRO 76 CO 0.43 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 177.00 1n62 n GLY 77 N 1.14 0.74 3.70 0.52 0.00 -1.26 -4.96 105.19 105.08 1n62 n GLY 77 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1n62 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n62 s VAL 78 N -2.92 5.35 -0.07 1.61 1.01 -0.85 -0.12 120.40 124.42 1n62 s VAL 78 Ca 0.00 0.17 0.12 0.00 0.00 0.00 0.00 61.98 62.28 1n62 s VAL 78 Cb 0.00 -3.46 -0.18 0.00 0.00 0.00 0.00 36.38 32.74 1n62 s VAL 78 CO 0.00 0.41 0.17 0.49 0.00 0.00 0.00 175.10 176.18 1n62 n PHE 79 N 3.74 0.00 -3.55 5.22 3.01 0.75 -4.90 117.46 121.73 1n62 n PHE 79 Ca -0.16 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.15 1n62 n PHE 79 Cb 0.52 -0.45 -0.05 0.00 -0.01 0.00 0.00 39.48 39.48 1n62 n PHE 79 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n62 s ALA 80 N -2.63 -1.47 -0.20 4.37 0.00 -1.07 -4.99 121.76 115.76 1n62 s ALA 80 Ca -0.05 0.81 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 1n62 s ALA 80 Cb 0.06 0.30 0.07 0.00 0.00 0.00 0.00 23.12 23.55 1n62 s ALA 80 CO 0.53 -0.48 0.09 0.08 0.00 0.00 0.00 175.76 175.99 1n62 s VAL 81 N -2.12 0.04 0.09 0.00 1.01 -1.26 -0.69 120.40 117.47 1n62 s VAL 81 Ca -0.07 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1n62 s VAL 81 Cb -0.01 -0.75 -0.07 0.00 0.00 0.00 0.00 36.38 35.55 1n62 s VAL 81 CO 0.01 -0.37 0.59 -0.76 0.00 0.00 0.00 175.10 174.57 1n62 s LEU 82 N 2.07 4.51 0.42 3.92 1.43 0.45 -4.89 118.68 126.59 1n62 s LEU 82 Ca 0.03 1.28 0.03 0.00 -1.03 0.00 0.00 54.13 54.45 1n62 s LEU 82 Cb -0.16 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 1n62 s LEU 82 CO -0.15 0.24 0.09 0.42 0.23 0.00 0.00 176.35 177.18 1n62 s THR 83 N -1.17 0.85 0.36 5.49 -4.23 -1.26 -0.62 115.64 115.06 1n62 s THR 83 Ca 0.31 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.95 1n62 s THR 83 Cb -0.19 -2.38 0.35 0.00 1.34 0.00 0.00 72.50 71.62 1n62 s THR 83 CO 0.20 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 176.06 1n62 h ALA 84 N 1.73 1.99 -0.97 3.99 0.00 -1.77 -0.53 119.26 123.69 1n62 h ALA 84 Ca -0.38 0.07 0.17 0.00 0.00 0.00 0.00 54.91 54.76 1n62 h ALA 84 Cb 1.28 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 1n62 h ALA 84 CO 0.63 -0.37 0.58 0.00 0.00 0.00 0.00 179.25 180.09 1n62 h ALA 85 N 1.64 1.56 -0.06 0.00 0.00 -1.94 0.55 119.26 121.02 1n62 h ALA 85 Ca 0.57 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.41 1n62 h ALA 85 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1n62 h ALA 85 CO -0.32 -0.01 -0.61 -0.44 0.00 0.00 0.00 179.25 177.87 1n62 h ASP 86 N 0.78 0.23 0.54 0.00 3.32 -1.49 -3.30 116.42 116.49 1n62 h ASP 86 Ca 0.54 -0.13 -0.29 0.00 0.02 0.00 0.00 57.03 57.17 1n62 h ASP 86 Cb 0.78 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 1n62 h ASP 86 CO -0.36 0.78 -1.59 -0.07 -1.72 0.00 0.00 179.24 176.29 1n62 h LEU 87 N 0.15 0.11 -2.50 1.55 3.38 -0.74 -3.40 115.31 113.86 1n62 h LEU 87 Ca -0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1n62 h LEU 87 Cb 1.10 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1n62 h LEU 87 CO 0.09 1.16 -0.02 0.50 0.09 0.00 0.00 178.44 180.27 1n62 h LYS 88 N 0.02 0.00 0.02 1.13 3.64 -0.11 0.14 116.57 121.42 1n62 h LYS 88 Ca -0.24 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.93 1n62 h LYS 88 Cb 1.97 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.78 1n62 h LYS 88 CO 0.10 0.02 -0.95 -1.35 -2.27 0.00 0.00 179.45 175.00 1n62 h PRO 89 N 0.00 0.15 -0.21 1.90 0.11 -1.76 -3.01 132.00 129.18 1n62 h PRO 89 Ca -0.00 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1n62 h PRO 89 Cb 0.14 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1n62 h PRO 89 CO 0.00 0.99 0.00 1.28 -0.21 0.00 0.00 178.00 180.06 1n62 n LEU 90 N -3.57 0.21 -3.51 2.35 4.77 0.40 -4.88 117.00 112.76 1n62 n LEU 90 Ca -0.03 -0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.73 1n62 n LEU 90 Cb 0.86 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.84 1n62 n LEU 90 CO 0.48 0.05 -0.07 0.59 -1.33 0.00 0.00 177.39 177.11 1n62 n ASN 91 N -0.35 -0.58 -0.07 -1.43 4.13 -1.08 -4.87 115.26 111.01 1n62 n ASN 91 Ca 0.00 -0.34 0.06 0.00 1.68 0.00 0.00 54.58 55.99 1n62 n ASN 91 Cb 0.05 -0.41 0.09 0.00 -1.54 0.00 0.00 39.78 37.97 1n62 n ASN 91 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1n62 n LEU 92 N -1.98 2.05 0.25 3.41 4.77 -0.57 -4.51 117.00 120.42 1n62 n LEU 92 Ca -0.05 -2.57 0.14 0.00 -0.03 0.00 0.00 56.01 53.50 1n62 n LEU 92 Cb 0.16 -0.27 0.44 0.00 -2.33 0.00 0.00 43.42 41.42 1n62 n LEU 92 CO 0.20 0.60 0.89 1.12 -1.33 0.00 0.00 177.39 178.88 1n62 h HIS 93 N 0.00 0.00 -3.16 -1.77 2.07 -1.86 -3.42 115.15 107.01 1n62 h HIS 93 Ca 0.00 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.95 1n62 h HIS 93 Cb 0.88 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 30.68 1n62 h HIS 93 CO 0.01 0.03 -0.79 0.71 -3.07 0.00 0.00 177.93 174.81 1n62 s TYR 94 N -3.46 2.01 0.07 6.12 2.02 -1.26 -0.39 117.35 122.45 1n62 s TYR 94 Ca 0.04 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.37 1n62 s TYR 94 Cb 0.07 -0.98 -0.03 0.00 -0.40 0.00 0.00 41.96 40.62 1n62 s TYR 94 CO 0.61 0.42 -0.17 0.00 -1.57 0.00 0.00 175.55 174.83 1n62 s MET 95 N -2.84 1.00 0.65 -0.62 0.23 0.01 -4.83 119.30 112.89 1n62 s MET 95 Ca 0.19 -0.98 -0.17 0.00 -1.03 0.00 0.00 55.69 53.69 1n62 s MET 95 Cb -0.06 -1.10 -0.01 0.00 -1.53 0.00 0.00 34.83 32.13 1n62 s MET 95 CO 0.08 0.26 1.19 -1.25 -2.03 0.00 0.00 175.02 173.27 1n62 s PRO 96 N -1.62 2.67 0.35 3.16 0.04 -1.26 -0.61 135.00 137.72 1n62 s PRO 96 Ca 0.02 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.88 1n62 s PRO 96 Cb -0.09 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1n62 s PRO 96 CO 0.03 -1.42 0.08 0.95 0.04 0.00 0.00 177.00 176.68 1n62 s THR 97 N -1.84 2.73 0.11 1.26 -4.23 -0.16 -4.76 115.64 108.75 1n62 s THR 97 Ca 0.75 -1.84 0.34 0.00 -1.18 0.00 0.00 61.69 59.75 1n62 s THR 97 Cb -0.28 -2.89 0.36 0.00 1.34 0.00 0.00 72.50 71.03 1n62 s THR 97 CO 0.38 -0.17 2.00 -0.07 -0.54 0.00 0.00 174.62 176.23 1n62 h LEU 98 N 1.67 0.00 -0.59 4.79 3.38 -1.85 -1.80 115.31 120.91 1n62 h LEU 98 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1n62 h LEU 98 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1n62 h LEU 98 CO 0.66 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 179.16 1n62 n ALA 99 N -2.00 2.66 -0.71 1.53 0.00 -1.24 -4.56 120.51 116.20 1n62 n ALA 99 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1n62 n ALA 99 Cb 0.21 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1n62 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n62 n GLY 100 N 1.15 0.67 0.00 0.00 0.00 -0.68 -4.80 105.19 101.54 1n62 n GLY 100 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1n62 n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n62 n ASP 101 N 0.00 0.00 -4.31 1.61 -0.08 -1.26 -4.51 116.55 108.00 1n62 n ASP 101 Ca 0.00 -0.57 -0.19 0.00 -1.51 0.00 0.00 54.79 52.53 1n62 n ASP 101 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 1n62 n ASP 101 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1n62 s VAL 102 N 1.37 1.60 -0.03 5.18 -7.23 -1.26 -0.99 120.40 119.04 1n62 s VAL 102 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1n62 s VAL 102 Cb 0.00 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 35.10 1n62 s VAL 102 CO 0.00 -0.49 -0.11 -1.58 -0.31 0.00 0.00 175.10 172.60 1n62 s GLN 103 N -3.19 1.17 0.23 4.82 0.74 0.22 -4.51 119.66 119.12 1n62 s GLN 103 Ca 0.17 -0.39 -0.31 0.00 0.05 0.00 0.00 55.36 54.87 1n62 s GLN 103 Cb -0.03 -1.07 -0.11 0.00 1.10 0.00 0.00 33.01 32.90 1n62 s GLN 103 CO 0.05 0.16 1.65 0.00 -0.55 0.00 0.00 175.29 176.61 1n62 s ALA 104 N 0.11 3.85 -0.17 1.58 0.00 -1.26 -0.81 121.76 125.06 1n62 s ALA 104 Ca -0.02 1.54 -0.25 0.00 0.00 0.00 0.00 51.96 53.22 1n62 s ALA 104 Cb -0.09 -3.67 -0.23 0.00 0.00 0.00 0.00 23.12 19.13 1n62 s ALA 104 CO 0.01 -0.91 0.51 0.28 0.00 0.00 0.00 175.76 175.65 1n62 h VAL 105 N 3.72 1.38 -4.12 0.00 2.07 -0.97 -3.46 116.25 114.87 1n62 h VAL 105 Ca -0.44 -2.27 -0.50 0.00 0.82 0.00 0.00 66.70 64.31 1n62 h VAL 105 Cb 1.21 2.84 -0.30 0.00 -1.52 0.00 0.00 31.29 33.52 1n62 h VAL 105 CO 0.90 0.47 -0.82 -0.76 0.02 0.00 0.00 177.57 177.39 1n62 s LEU 106 N -8.04 1.98 0.20 2.57 1.43 -1.24 -4.67 118.68 110.91 1n62 s LEU 106 Ca -0.24 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 1n62 s LEU 106 Cb 0.01 -0.77 -0.09 0.00 0.03 0.00 0.00 46.19 45.37 1n62 s LEU 106 CO 0.65 0.16 1.40 0.00 0.23 0.00 0.00 176.35 178.79 1n62 s ALA 107 N -0.21 3.61 0.00 4.21 0.00 -0.32 -4.50 121.76 124.56 1n62 s ALA 107 Ca 0.03 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1n62 s ALA 107 Cb -0.07 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1n62 s ALA 107 CO 0.00 -0.66 0.00 -3.47 0.00 0.00 0.00 175.76 171.63 1n62 n ASP 108 N 2.88 0.00 0.00 0.00 2.03 -1.26 -4.36 116.55 115.84 1n62 n ASP 108 Ca 0.08 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.28 1n62 n ASP 108 Cb 0.41 -0.09 -0.14 0.00 -0.72 0.00 0.00 41.12 40.58 1n62 n ASP 108 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1n62 h GLU 109 N 0.00 0.07 -3.68 -0.67 5.08 -1.92 -3.43 114.58 110.03 1n62 h GLU 109 Ca 0.00 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1n62 h GLU 109 Cb 0.00 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.16 1n62 h GLU 109 CO 0.00 0.73 -0.27 -1.59 -1.00 0.00 0.00 179.01 176.88 1n62 s LYS 110 N -2.60 0.94 0.04 2.33 -2.85 -1.26 0.08 119.74 116.41 1n62 s LYS 110 Ca -0.07 -0.89 -0.00 0.00 -1.00 0.00 0.00 55.97 54.00 1n62 s LYS 110 Cb 0.08 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 1n62 s LYS 110 CO 0.82 -0.33 0.17 0.14 0.10 0.00 0.00 175.35 176.25 1n62 s VAL 111 N -3.85 5.20 0.00 1.79 -7.23 0.40 -4.76 120.40 111.96 1n62 s VAL 111 Ca 0.05 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1n62 s VAL 111 Cb 0.04 -3.49 0.00 0.00 0.56 0.00 0.00 36.38 33.49 1n62 s VAL 111 CO -0.11 0.22 0.04 0.18 -0.31 0.00 0.00 175.10 175.12 1n62 n LEU 112 N 0.61 0.08 -3.68 1.32 4.77 -1.24 -1.98 117.00 116.88 1n62 n LEU 112 Ca -0.08 -0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 55.37 1n62 n LEU 112 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1n62 n LEU 112 CO 0.47 0.02 0.16 0.72 -1.33 0.00 0.00 177.39 177.42 1n62 s PHE 113 N -0.61 -0.32 0.21 -1.77 -0.71 -0.79 -3.59 117.98 110.40 1n62 s PHE 113 Ca 0.00 0.49 -0.30 0.00 -1.04 0.00 0.00 56.93 56.07 1n62 s PHE 113 Cb 0.00 0.20 -0.09 0.00 -1.21 0.00 0.00 43.02 41.92 1n62 s PHE 113 CO 0.00 -0.48 1.40 -1.14 -1.34 0.00 0.00 175.22 173.66 1n62 s GLN 114 N -1.49 4.31 0.00 1.99 0.74 -1.22 -1.83 119.66 122.16 1n62 s GLN 114 Ca -0.12 2.21 0.00 0.00 0.05 0.00 0.00 55.36 57.50 1n62 s GLN 114 Cb -0.03 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.93 1n62 s GLN 114 CO 0.05 -0.38 0.00 0.09 -0.55 0.00 0.00 175.29 174.49 1n62 n ASN 115 N 2.72 -2.41 -4.71 6.67 5.03 0.99 -4.85 115.26 118.72 1n62 n ASN 115 Ca 0.08 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.14 1n62 n ASN 115 Cb 0.41 -0.40 0.04 0.00 -1.02 0.00 0.00 39.78 38.81 1n62 n ASN 115 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1n62 n GLN 116 N -2.80 1.51 -2.18 3.52 7.27 -0.76 -4.20 117.38 119.73 1n62 n GLN 116 Ca 0.00 0.56 -0.42 0.00 0.07 0.00 0.00 57.00 57.21 1n62 n GLN 116 Cb 0.00 -2.45 -0.03 0.00 2.41 0.00 0.00 30.24 30.17 1n62 n GLN 116 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1n62 s GLU 117 N -2.78 4.31 -0.04 3.69 8.01 -1.26 0.15 118.70 130.77 1n62 s GLU 117 Ca 0.72 2.05 0.01 0.00 0.01 0.00 0.00 54.97 57.76 1n62 s GLU 117 Cb -0.43 -3.36 -0.03 0.00 -4.31 0.00 0.00 34.13 26.00 1n62 s GLU 117 CO 0.49 -0.49 -0.03 0.28 0.01 0.00 0.00 175.26 175.53 1n62 n VAL 118 N 4.18 0.26 -3.78 2.63 0.31 0.89 -1.17 118.33 121.65 1n62 n VAL 118 Ca 0.12 -0.12 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 1n62 n VAL 118 Cb 0.43 -0.73 -0.07 0.00 -0.91 0.00 0.00 33.84 32.55 1n62 n VAL 118 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n62 s ALA 119 N -2.09 -0.55 -0.18 3.52 0.00 -0.97 -4.27 121.76 117.22 1n62 s ALA 119 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1n62 s ALA 119 Cb 0.01 0.40 0.04 0.00 0.00 0.00 0.00 23.12 23.57 1n62 s ALA 119 CO 0.12 -0.46 -0.10 0.12 0.00 0.00 0.00 175.76 175.45 1n62 s PHE 120 N -3.02 2.18 -0.18 0.00 5.36 0.21 -0.31 117.98 122.20 1n62 s PHE 120 Ca -0.02 -1.38 -0.09 0.00 -0.96 0.00 0.00 56.93 54.48 1n62 s PHE 120 Cb 0.01 -1.54 -0.05 0.00 -0.34 0.00 0.00 43.02 41.10 1n62 s PHE 120 CO -0.06 -0.69 0.14 0.08 -1.46 0.00 0.00 175.22 173.22 1n62 s VAL 121 N 1.48 5.43 -0.14 3.12 1.01 0.89 -0.41 120.40 131.77 1n62 s VAL 121 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1n62 s VAL 121 Cb -0.15 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1n62 s VAL 121 CO -0.08 0.48 -0.20 -0.69 0.00 0.00 0.00 175.10 174.60 1n62 s VAL 122 N 0.05 2.20 0.27 2.92 1.01 0.13 -0.94 120.40 126.03 1n62 s VAL 122 Ca 0.10 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1n62 s VAL 122 Cb -0.11 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1n62 s VAL 122 CO -0.00 0.54 0.21 0.00 0.00 0.00 0.00 175.10 175.85 1n62 s ALA 123 N 0.81 1.50 0.35 5.51 0.00 0.43 -0.18 121.76 130.19 1n62 s ALA 123 Ca -0.07 -1.88 0.05 0.00 0.00 0.00 0.00 51.96 50.06 1n62 s ALA 123 Cb -0.15 1.43 0.71 0.00 0.00 0.00 0.00 23.12 25.11 1n62 s ALA 123 CO -0.01 -0.63 1.95 1.57 0.00 0.00 0.00 175.76 178.64 1n62 h LYS 124 N 2.37 0.77 -3.12 0.00 2.10 -0.80 0.63 116.57 118.52 1n62 h LYS 124 Ca -0.30 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.28 1n62 h LYS 124 Cb 1.24 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 32.38 1n62 h LYS 124 CO 0.44 0.51 0.21 0.16 -2.00 0.00 0.00 179.45 178.77 1n62 s ASP 125 N -6.18 0.02 0.50 7.07 1.47 -1.26 -4.42 116.67 113.87 1n62 s ASP 125 Ca -0.10 -1.04 0.29 0.00 1.18 0.00 0.00 52.55 52.87 1n62 s ASP 125 Cb 0.19 0.80 1.20 0.00 -0.34 0.00 0.00 42.92 44.77 1n62 s ASP 125 CO 0.78 -1.56 1.93 0.08 0.68 0.00 0.00 175.17 177.08 1n62 h ARG 126 N 2.02 0.00 -0.08 2.11 0.11 -1.87 -0.43 114.38 116.24 1n62 h ARG 126 Ca -0.29 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.69 1n62 h ARG 126 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1n62 h ARG 126 CO 0.36 0.12 -0.36 1.88 0.10 0.00 0.00 179.97 182.08 1n62 h TYR 127 N 0.00 0.51 -0.61 4.08 -1.99 -1.98 -1.89 116.97 115.09 1n62 h TYR 127 Ca -0.00 -0.22 -0.10 0.00 2.00 0.00 0.00 58.73 60.41 1n62 h TYR 127 Cb 0.58 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 1n62 h TYR 127 CO 0.00 0.97 0.00 0.28 -0.00 0.00 0.00 178.16 179.41 1n62 h VAL 128 N -0.09 1.27 -0.64 -2.88 2.07 -1.92 -1.63 116.25 112.42 1n62 h VAL 128 Ca -0.02 -1.16 0.05 0.00 0.82 0.00 0.00 66.70 66.39 1n62 h VAL 128 Cb 1.01 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1n62 h VAL 128 CO 0.07 0.42 0.36 0.00 0.02 0.00 0.00 177.57 178.45 1n62 h ALA 129 N 0.99 0.85 -0.73 1.67 0.00 -1.09 -1.11 119.26 119.84 1n62 h ALA 129 Ca 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1n62 h ALA 129 Cb 0.56 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1n62 h ALA 129 CO 0.03 0.06 0.31 0.00 0.00 0.00 0.00 179.25 179.65 1n62 h ALA 130 N 1.32 1.18 -0.34 0.00 0.00 -0.83 -0.72 119.26 119.87 1n62 h ALA 130 Ca 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1n62 h ALA 130 Cb 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1n62 h ALA 130 CO -0.16 0.61 0.18 -0.44 0.00 0.00 0.00 179.25 179.44 1n62 h ASP 131 N 1.05 0.44 0.23 0.00 3.32 -0.73 -3.00 116.42 117.72 1n62 h ASP 131 Ca 0.25 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 57.05 1n62 h ASP 131 Cb 0.16 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1n62 h ASP 131 CO -0.03 0.41 -0.56 0.00 -1.72 0.00 0.00 179.24 177.35 1n62 h ALA 132 N 1.04 0.83 -0.78 3.45 0.00 -0.63 -2.53 119.26 120.64 1n62 h ALA 132 Ca 0.12 -0.51 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1n62 h ALA 132 Cb 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1n62 h ALA 132 CO -0.02 0.70 0.51 0.82 0.00 0.00 0.00 179.25 181.26 1n62 h ILE 133 N 0.27 1.04 0.00 0.00 2.04 -1.02 -0.67 117.51 119.17 1n62 h ILE 133 Ca 0.00 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1n62 h ILE 133 Cb 1.06 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1n62 h ILE 133 CO 0.09 0.15 0.00 -0.33 0.00 0.00 0.00 178.15 178.07 1n62 h GLU 134 N 0.84 0.00 0.00 2.37 4.39 -1.34 -2.56 114.58 118.28 1n62 h GLU 134 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1n62 h GLU 134 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1n62 h GLU 134 CO -0.11 0.00 -0.65 -0.07 -1.16 0.00 0.00 179.01 177.02 1n62 h LEU 135 N 0.00 0.00 -9.67 1.33 3.38 -1.12 -3.45 115.31 105.78 1n62 h LEU 135 Ca 0.00 -0.16 -0.52 0.00 0.09 0.00 0.00 57.88 57.29 1n62 h LEU 135 Cb 0.45 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.23 1n62 h LEU 135 CO 0.00 0.08 0.62 -0.69 0.09 0.00 0.00 178.44 178.54 1n62 s VAL 136 N -3.20 3.33 -0.20 1.22 1.01 -0.97 -4.33 120.40 117.26 1n62 s VAL 136 Ca 0.05 1.10 -0.00 0.00 0.00 0.00 0.00 61.98 63.13 1n62 s VAL 136 Cb 0.12 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1n62 s VAL 136 CO 0.73 0.17 -0.14 -1.61 0.00 0.00 0.00 175.10 174.24 1n62 s GLU 137 N -0.16 3.05 -0.15 2.72 2.02 -0.41 -4.97 118.70 120.80 1n62 s GLU 137 Ca 0.55 -0.80 -0.04 0.00 0.02 0.00 0.00 54.97 54.70 1n62 s GLU 137 Cb -0.35 -2.73 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 1n62 s GLU 137 CO 0.38 -0.23 -0.03 0.08 0.02 0.00 0.00 175.26 175.48 1n62 s VAL 138 N 1.34 4.00 -0.26 2.63 1.01 -1.26 0.31 120.40 128.16 1n62 s VAL 138 Ca 0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1n62 s VAL 138 Cb -0.14 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1n62 s VAL 138 CO -0.09 0.51 0.14 -0.62 0.00 0.00 0.00 175.10 175.03 1n62 s ASP 139 N 0.16 5.69 0.10 3.32 2.15 -0.35 -5.02 116.67 122.72 1n62 s ASP 139 Ca -0.01 -0.07 0.05 0.00 0.43 0.00 0.00 52.55 52.95 1n62 s ASP 139 Cb -0.14 -2.04 -0.04 0.00 -0.30 0.00 0.00 42.92 40.41 1n62 s ASP 139 CO 0.03 -0.02 0.02 -0.31 -0.17 0.00 0.00 175.17 174.71 1n62 s TYR 140 N 1.57 3.02 -0.31 -5.34 2.02 -1.26 -0.16 117.35 116.90 1n62 s TYR 140 Ca 0.07 -0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.78 1n62 s TYR 140 Cb -0.15 -1.54 0.08 0.00 -0.40 0.00 0.00 41.96 39.95 1n62 s TYR 140 CO 0.07 0.49 -0.01 -1.21 -1.57 0.00 0.00 175.55 173.33 1n62 s GLU 141 N -2.38 1.71 0.65 -0.62 2.02 0.37 -4.89 118.70 115.57 1n62 s GLU 141 Ca 0.27 -1.63 -0.18 0.00 0.02 0.00 0.00 54.97 53.45 1n62 s GLU 141 Cb -0.12 -3.03 -0.01 0.00 0.10 0.00 0.00 34.13 31.08 1n62 s GLU 141 CO 0.19 -0.80 1.29 -2.14 0.02 0.00 0.00 175.26 173.82 1n62 s PRO 142 N 1.02 2.51 0.13 0.39 0.02 -1.26 -0.52 135.00 137.28 1n62 s PRO 142 Ca 0.04 2.05 0.07 0.00 0.02 0.00 0.00 61.00 63.17 1n62 s PRO 142 Cb -0.19 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1n62 s PRO 142 CO -0.08 -1.63 -0.16 -0.51 -0.33 0.00 0.00 177.00 174.30 1n62 s LEU 143 N -4.43 2.40 0.23 -5.54 1.43 0.35 -4.83 118.68 108.29 1n62 s LEU 143 Ca 0.82 -0.80 -0.32 0.00 -1.03 0.00 0.00 54.13 52.80 1n62 s LEU 143 Cb -0.37 -0.64 -0.13 0.00 0.03 0.00 0.00 46.19 45.08 1n62 s LEU 143 CO 0.40 -0.10 1.51 -2.65 0.23 0.00 0.00 176.35 175.74 1n62 n PRO 144 N 0.55 2.25 -3.77 1.29 -0.02 -1.26 -4.65 135.00 129.40 1n62 n PRO 144 Ca -0.15 0.80 -0.37 0.00 -2.02 0.00 0.00 63.50 61.76 1n62 n PRO 144 Cb 0.57 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 1n62 n PRO 144 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1n62 s VAL 145 N 0.25 5.37 -0.24 -1.45 1.01 -1.26 -4.79 120.40 119.28 1n62 s VAL 145 Ca 0.70 0.39 -0.00 0.00 0.00 0.00 0.00 61.98 63.07 1n62 s VAL 145 Cb -0.61 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1n62 s VAL 145 CO 0.46 0.61 -0.09 -0.22 0.00 0.00 0.00 175.10 175.86 1n62 s LEU 146 N -1.04 3.12 0.00 3.92 2.96 -1.26 -4.92 118.68 121.47 1n62 s LEU 146 Ca 0.17 -0.96 0.00 0.00 -0.22 0.00 0.00 54.13 53.12 1n62 s LEU 146 Cb -0.13 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.94 1n62 s LEU 146 CO 0.07 -0.13 0.00 1.33 -1.32 0.00 0.00 176.35 176.30 1n62 n VAL 147 N 4.61 0.00 -3.36 1.68 0.24 -1.26 -0.51 118.33 119.73 1n62 n VAL 147 Ca -0.16 -0.24 -0.44 0.00 -2.04 0.00 0.00 64.34 61.45 1n62 n VAL 147 Cb 0.46 0.76 -0.07 0.00 -1.47 0.00 0.00 33.84 33.51 1n62 n VAL 147 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1n62 s ASP 148 N -1.21 6.16 0.60 -1.34 2.15 -1.26 -4.91 116.67 116.85 1n62 s ASP 148 Ca 0.00 -1.30 0.30 0.00 0.43 0.00 0.00 52.55 51.99 1n62 s ASP 148 Cb 0.00 -2.19 1.81 0.00 -0.30 0.00 0.00 42.92 42.24 1n62 s ASP 148 CO 0.00 -0.67 2.21 1.55 -0.17 0.00 0.00 175.17 178.09 1n62 h PRO 149 N 8.78 0.00 0.00 4.34 0.13 -1.94 0.21 132.00 143.52 1n62 h PRO 149 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1n62 h PRO 149 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1n62 h PRO 149 CO 0.89 0.00 0.00 0.74 -0.23 0.00 0.00 178.00 179.40 1n62 h PHE 150 N 0.00 0.00 -0.11 1.56 0.04 -1.99 -1.68 116.94 114.77 1n62 h PHE 150 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1n62 h PHE 150 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1n62 h PHE 150 CO 0.00 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.34 1n62 n LYS 151 N -2.32 1.44 0.24 1.51 5.02 0.04 -4.65 118.16 119.44 1n62 n LYS 151 Ca 0.02 -1.57 0.10 0.00 -2.02 0.00 0.00 58.31 54.84 1n62 n LYS 151 Cb 0.22 -1.31 0.60 0.00 -0.02 0.00 0.00 35.03 34.53 1n62 n LYS 151 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n62 h ALA 152 N 2.97 1.23 -0.24 7.82 0.00 -1.08 -2.50 119.26 127.46 1n62 h ALA 152 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1n62 h ALA 152 Cb 0.67 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1n62 h ALA 152 CO 0.00 0.23 -0.25 -1.33 0.00 0.00 0.00 179.25 177.90 1n62 n MET 153 N -3.64 1.79 -2.85 0.00 2.81 -1.26 -4.49 117.12 109.47 1n62 n MET 153 Ca -0.01 -3.27 -0.32 0.00 -1.81 0.00 0.00 57.70 52.29 1n62 n MET 153 Cb 0.31 -1.76 -0.05 0.00 -0.71 0.00 0.00 33.22 31.01 1n62 n MET 153 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1n62 s GLU 154 N -3.27 4.03 0.33 0.03 2.02 -0.94 -4.94 118.70 115.97 1n62 s GLU 154 Ca 0.43 0.84 0.07 0.00 0.02 0.00 0.00 54.97 56.32 1n62 s GLU 154 Cb 0.40 -2.29 0.74 0.00 0.10 0.00 0.00 34.13 33.08 1n62 s GLU 154 CO -0.03 -0.01 1.84 -1.35 0.02 0.00 0.00 175.26 175.73 1n62 h PRO 155 N 1.74 0.75 -0.64 0.39 0.11 -1.94 -1.29 132.00 131.13 1n62 h PRO 155 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1n62 h PRO 155 Cb 1.18 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1n62 h PRO 155 CO 0.63 0.50 0.00 -0.40 -0.21 0.00 0.00 178.00 178.52 1n62 n ASP 156 N -4.61 4.64 -4.76 -2.05 5.75 -1.26 -4.97 116.55 109.29 1n62 n ASP 156 Ca 0.19 -2.54 -0.39 0.00 -0.01 0.00 0.00 54.79 52.04 1n62 n ASP 156 Cb 0.47 -0.59 0.01 0.00 -1.03 0.00 0.00 41.12 39.98 1n62 n ASP 156 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n62 s ALA 157 N -2.07 3.14 0.35 2.12 0.00 -0.49 -4.90 121.76 119.91 1n62 s ALA 157 Ca 0.47 1.29 -0.27 0.00 0.00 0.00 0.00 51.96 53.45 1n62 s ALA 157 Cb 0.32 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.80 1n62 s ALA 157 CO 0.20 -1.02 1.09 -2.30 0.00 0.00 0.00 175.76 173.72 1n62 n PRO 158 N -0.26 1.57 -2.75 0.00 -0.02 -1.26 -4.91 135.00 127.37 1n62 n PRO 158 Ca 0.06 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 1n62 n PRO 158 Cb 0.44 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1n62 n PRO 158 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1n62 s LEU 159 N -0.28 3.87 -0.11 2.45 0.20 -1.26 -4.85 118.68 118.70 1n62 s LEU 159 Ca 0.59 -0.15 -0.06 0.00 0.69 0.00 0.00 54.13 55.19 1n62 s LEU 159 Cb -0.62 -2.98 -0.02 0.00 -0.43 0.00 0.00 46.19 42.15 1n62 s LEU 159 CO 0.60 -1.30 -0.13 -0.07 -0.29 0.00 0.00 176.35 175.16 1n62 h LEU 160 N 11.27 0.00 -7.33 -0.68 4.07 -1.91 -3.42 115.31 117.31 1n62 h LEU 160 Ca -0.26 0.00 -0.76 0.00 0.08 0.00 0.00 57.88 56.95 1n62 h LEU 160 Cb 1.07 0.00 -0.20 0.00 1.08 0.00 0.00 40.66 42.61 1n62 h LEU 160 CO 1.12 0.61 1.33 0.54 -1.08 0.00 0.00 178.44 180.95 1n62 n ARG 161 N -4.28 3.54 0.27 1.13 5.12 -1.26 -4.69 116.66 116.49 1n62 n ARG 161 Ca -0.05 -3.93 0.13 0.00 -1.93 0.00 0.00 57.85 52.07 1n62 n ARG 161 Cb 0.19 -2.89 0.78 0.00 -1.16 0.00 0.00 32.46 29.37 1n62 n ARG 161 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1n62 h GLU 162 N 6.59 0.00 0.00 5.56 5.08 -1.97 -2.78 114.58 127.07 1n62 h GLU 162 Ca 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1n62 h GLU 162 Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1n62 h GLU 162 CO 1.31 0.08 -0.02 0.38 -1.00 0.00 0.00 179.01 179.75 1n62 h ASP 163 N 0.00 0.00 -0.11 1.42 2.03 -1.99 -2.88 116.42 114.88 1n62 h ASP 163 Ca -0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 1n62 h ASP 163 Cb 0.20 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 38.51 1n62 h ASP 163 CO 0.01 0.02 -0.73 2.30 -1.03 0.00 0.00 179.24 179.81 1n62 n ILE 164 N -3.12 1.55 0.17 4.15 -5.35 -1.06 -4.83 119.36 110.87 1n62 n ILE 164 Ca 0.01 -2.69 0.03 0.00 -0.27 0.00 0.00 62.75 59.83 1n62 n ILE 164 Cb 0.37 0.11 0.41 0.00 -1.74 0.00 0.00 39.64 38.79 1n62 n ILE 164 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1n62 h LYS 165 N 1.24 0.08 0.00 6.28 1.63 -1.33 0.10 116.57 124.57 1n62 h LYS 165 Ca -0.03 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1n62 h LYS 165 Cb 1.34 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 1n62 h LYS 165 CO 0.13 0.32 -0.41 -0.25 -3.45 0.00 0.00 179.45 175.79 1n62 n ASP 166 N -4.22 0.45 -4.43 4.20 8.00 -1.26 -4.74 116.55 114.54 1n62 n ASP 166 Ca -0.02 -0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.04 1n62 n ASP 166 Cb 0.31 0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.46 1n62 n ASP 166 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1n62 s LYS 167 N -3.04 3.97 0.25 -1.24 2.20 0.36 -4.81 119.74 117.43 1n62 s LYS 167 Ca 0.11 -2.49 0.26 0.00 -0.36 0.00 0.00 55.97 53.48 1n62 s LYS 167 Cb 0.17 -4.91 0.84 0.00 -1.51 0.00 0.00 37.83 32.41 1n62 s LYS 167 CO 0.67 -1.66 1.76 0.52 -0.36 0.00 0.00 175.35 176.28 1n62 h MET 168 N 7.49 0.00 -4.80 4.03 2.86 -1.85 -3.38 114.93 119.29 1n62 h MET 168 Ca 0.25 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 57.21 1n62 h MET 168 Cb 0.92 0.00 -0.28 0.00 0.06 0.00 0.00 31.60 32.30 1n62 h MET 168 CO 1.15 0.00 -0.64 0.99 1.06 0.00 0.00 176.91 179.47 1n62 s THR 169 N -3.18 3.72 0.00 2.22 2.01 -1.26 0.11 115.64 119.27 1n62 s THR 169 Ca 0.08 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1n62 s THR 169 Cb 0.11 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.66 1n62 s THR 169 CO 0.55 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 175.14 1n62 n GLY 170 N 4.82 0.63 0.08 4.40 0.00 -0.21 -4.93 105.19 109.98 1n62 n GLY 170 Ca -0.14 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.38 1n62 n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 n ALA 171 N -3.00 2.13 -2.56 4.61 0.00 -1.26 -3.59 120.51 116.84 1n62 n ALA 171 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1n62 n ALA 171 Cb 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.05 1n62 n ALA 171 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n62 n HIS 172 N -2.02 1.84 -1.20 0.00 8.25 -1.26 -5.02 115.22 115.81 1n62 n HIS 172 Ca 0.05 -2.39 0.00 0.00 -0.26 0.00 0.00 57.72 55.12 1n62 n HIS 172 Cb 0.35 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1n62 n HIS 172 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n62 n GLY 173 N -0.51 -1.80 3.77 -1.41 0.00 -1.24 -4.41 105.19 99.60 1n62 n GLY 173 Ca 0.20 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 1n62 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 s ALA 174 N -1.70 2.81 -0.13 4.61 0.00 -1.26 -1.04 121.76 125.04 1n62 s ALA 174 Ca 0.00 0.89 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 1n62 s ALA 174 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1n62 s ALA 174 CO 0.00 -0.76 -0.09 1.03 0.00 0.00 0.00 175.76 175.94 1n62 s ARG 175 N -3.03 3.45 0.00 0.00 0.52 0.31 -4.32 118.95 115.87 1n62 s ARG 175 Ca 0.69 -0.62 0.23 0.00 -0.52 0.00 0.00 55.73 55.52 1n62 s ARG 175 Cb -0.27 -2.73 0.21 0.00 0.52 0.00 0.00 34.95 32.68 1n62 s ARG 175 CO 0.31 0.26 1.21 0.36 0.02 0.00 0.00 175.30 177.45 1n62 n LYS 176 N 3.44 0.06 -3.50 3.54 2.85 -1.26 -4.84 118.16 118.44 1n62 n LYS 176 Ca -0.18 -0.04 -0.16 0.00 -1.05 0.00 0.00 58.31 56.88 1n62 n LYS 176 Cb 0.53 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.36 1n62 n LYS 176 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1n62 s HIS 177 N -2.97 -0.59 0.61 5.58 5.04 -1.26 -5.00 115.29 116.70 1n62 s HIS 177 Ca 0.10 0.80 0.32 0.00 -1.54 0.00 0.00 55.06 54.75 1n62 s HIS 177 Cb 0.17 0.44 1.85 0.00 0.04 0.00 0.00 32.58 35.08 1n62 s HIS 177 CO 0.76 -0.68 2.17 1.12 -2.34 0.00 0.00 174.74 175.77 1n62 h HIS 178 N 2.69 0.00 -0.34 3.88 2.07 -1.91 -0.21 115.15 121.32 1n62 h HIS 178 Ca -0.30 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 1n62 h HIS 178 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 1n62 h HIS 178 CO 0.34 0.00 0.00 0.09 -3.07 0.00 0.00 177.93 175.29 1n62 n ASN 179 N -3.57 3.14 -4.73 3.10 3.02 -1.26 -4.71 115.26 110.25 1n62 n ASN 179 Ca -0.01 -1.91 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 1n62 n ASN 179 Cb 0.23 -0.22 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1n62 n ASN 179 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1n62 s HIS 180 N -1.25 3.82 -0.24 3.10 2.46 -0.09 -0.77 115.29 122.32 1n62 s HIS 180 Ca 0.32 1.80 -0.17 0.00 0.47 0.00 0.00 55.06 57.48 1n62 s HIS 180 Cb 0.18 -3.05 -0.14 0.00 -0.13 0.00 0.00 32.58 29.45 1n62 s HIS 180 CO 0.25 0.22 -0.15 -0.89 -2.47 0.00 0.00 174.74 171.71 1n62 n ILE 181 N 2.71 1.52 -3.50 0.89 5.41 0.92 -4.73 119.36 122.59 1n62 n ILE 181 Ca 0.02 -0.19 -0.11 0.00 1.00 0.00 0.00 62.75 63.46 1n62 n ILE 181 Cb 0.49 -2.00 -0.03 0.00 -0.71 0.00 0.00 39.64 37.39 1n62 n ILE 181 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1n62 s PHE 182 N -2.47 -0.45 -0.08 1.39 -0.12 -1.22 -4.63 117.98 110.40 1n62 s PHE 182 Ca -0.34 0.46 0.05 0.00 -0.05 0.00 0.00 56.93 57.05 1n62 s PHE 182 Cb 0.10 0.51 -0.00 0.00 -0.63 0.00 0.00 43.02 43.00 1n62 s PHE 182 CO 0.51 -0.60 -0.23 0.50 -0.05 0.00 0.00 175.22 175.35 1n62 s ARG 183 N -2.64 2.65 -0.01 1.99 6.06 -1.26 -1.12 118.95 124.63 1n62 s ARG 183 Ca 0.00 -0.83 0.02 0.00 -2.50 0.00 0.00 55.73 52.43 1n62 s ARG 183 Cb -0.01 -2.11 -0.00 0.00 0.06 0.00 0.00 34.95 32.89 1n62 s ARG 183 CO -0.05 0.24 -0.06 -0.46 -2.50 0.00 0.00 175.30 172.47 1n62 s TRP 184 N 0.17 0.51 0.07 5.12 -0.00 0.18 -4.91 118.94 120.09 1n62 s TRP 184 Ca -0.12 -0.10 -0.06 0.00 -0.00 0.00 0.00 56.10 55.83 1n62 s TRP 184 Cb -0.16 -0.34 -0.02 0.00 -0.00 0.00 0.00 33.47 32.96 1n62 s TRP 184 CO 0.06 -0.01 0.10 -1.83 -0.00 0.00 0.00 176.95 175.27 1n62 s GLU 185 N -0.10 0.75 0.00 5.86 -1.05 -1.26 -0.10 118.70 122.80 1n62 s GLU 185 Ca 0.02 -1.05 -0.26 0.00 -0.15 0.00 0.00 54.97 53.53 1n62 s GLU 185 Cb -0.03 0.29 0.06 0.00 -0.44 0.00 0.00 34.13 34.01 1n62 s GLU 185 CO -0.00 -0.20 0.58 -1.50 0.95 0.00 0.00 175.26 175.09 1n62 s ILE 186 N -3.85 0.02 0.00 1.83 2.07 -0.16 -4.99 121.20 116.11 1n62 s ILE 186 Ca 0.05 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.16 1n62 s ILE 186 Cb 0.06 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.70 1n62 s ILE 186 CO -0.10 -0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.46 1n62 n GLY 187 N 0.68 0.85 3.42 1.50 0.00 -1.26 -1.10 105.19 109.28 1n62 n GLY 187 Ca -0.19 -2.11 -0.44 0.00 0.00 0.00 0.00 46.02 43.28 1n62 n GLY 187 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n62 s ASP 188 N 0.00 6.43 0.08 1.61 2.15 -0.52 -4.87 116.67 121.55 1n62 s ASP 188 Ca 0.00 -1.74 -0.23 0.00 0.43 0.00 0.00 52.55 51.01 1n62 s ASP 188 Cb 0.00 -2.35 -0.14 0.00 -0.30 0.00 0.00 42.92 40.13 1n62 s ASP 188 CO 0.00 -1.10 1.67 0.50 -0.17 0.00 0.00 175.17 176.07 1n62 h LYS 189 N 8.95 0.07 -0.42 4.34 3.64 -1.89 -0.51 116.57 130.75 1n62 h LYS 189 Ca -0.06 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1n62 h LYS 189 Cb 1.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1n62 h LYS 189 CO 1.08 0.13 0.13 0.93 -2.27 0.00 0.00 179.45 179.45 1n62 h GLU 190 N -0.01 0.65 -0.55 1.90 3.07 -1.97 0.99 114.58 118.66 1n62 h GLU 190 Ca 0.02 -0.14 -0.11 0.00 -0.50 0.00 0.00 59.36 58.62 1n62 h GLU 190 Cb 0.08 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1n62 h GLU 190 CO -0.00 0.64 -0.10 0.78 -1.40 0.00 0.00 179.01 178.92 1n62 h GLY 191 N 0.54 1.12 0.86 -3.84 0.00 -1.96 -0.15 103.07 99.63 1n62 h GLY 191 Ca 0.14 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 1n62 h GLY 191 CO -0.00 0.83 0.05 -0.84 0.00 0.00 0.00 176.54 176.58 1n62 h THR 192 N 0.92 1.21 -0.75 4.70 2.02 -0.87 -1.24 112.91 118.88 1n62 h THR 192 Ca 0.14 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1n62 h THR 192 Cb 0.68 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 1n62 h THR 192 CO 0.05 0.21 0.46 0.44 0.37 0.00 0.00 175.52 177.05 1n62 h ASP 193 N 0.16 0.90 -0.56 4.18 3.32 -0.64 -0.04 116.42 123.74 1n62 h ASP 193 Ca 0.07 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1n62 h ASP 193 Cb 0.27 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1n62 h ASP 193 CO 0.00 0.69 0.19 0.00 -1.72 0.00 0.00 179.24 178.41 1n62 h ALA 194 N 1.24 1.21 -0.32 3.45 0.00 -0.90 -0.07 119.26 123.87 1n62 h ALA 194 Ca 0.27 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1n62 h ALA 194 Cb -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1n62 h ALA 194 CO -0.05 0.56 -0.12 1.15 0.00 0.00 0.00 179.25 180.79 1n62 h THR 195 N 0.88 1.29 -0.10 0.00 2.02 -0.26 -2.62 112.91 114.11 1n62 h THR 195 Ca 0.20 -1.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.10 1n62 h THR 195 Cb 0.24 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1n62 h THR 195 CO -0.01 0.39 -0.29 -0.26 0.37 0.00 0.00 175.52 175.72 1n62 h PHE 196 N 0.42 0.20 0.00 3.16 0.04 -0.77 0.03 116.94 120.02 1n62 h PHE 196 Ca 0.08 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 1n62 h PHE 196 Cb 0.63 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 1n62 h PHE 196 CO 0.06 0.46 -0.30 0.00 -0.60 0.00 0.00 178.31 177.92 1n62 h ALA 197 N 1.55 1.25 0.00 2.45 0.00 -0.66 -3.20 119.26 120.65 1n62 h ALA 197 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1n62 h ALA 197 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1n62 h ALA 197 CO 0.04 0.38 -0.37 1.63 0.00 0.00 0.00 179.25 180.94 1n62 n LYS 198 N -3.82 4.47 -1.91 0.00 5.02 -1.02 -5.06 118.16 115.83 1n62 n LYS 198 Ca -0.01 -0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.93 1n62 n LYS 198 Cb 0.39 -0.86 0.04 0.00 -0.02 0.00 0.00 35.03 34.58 1n62 n LYS 198 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n62 s ALA 199 N -1.72 2.49 0.16 7.82 0.00 -0.03 -4.93 121.76 125.55 1n62 s ALA 199 Ca 0.03 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 1n62 s ALA 199 Cb 0.06 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.82 1n62 s ALA 199 CO 0.31 -1.22 1.68 1.49 0.00 0.00 0.00 175.76 178.02 1n62 h GLU 200 N 0.57 0.87 -4.33 0.00 4.81 -1.89 -3.42 114.58 111.19 1n62 h GLU 200 Ca -0.49 -0.20 -0.49 0.00 -0.13 0.00 0.00 59.36 58.05 1n62 h GLU 200 Cb 1.28 -0.12 -0.35 0.00 0.63 0.00 0.00 28.75 30.19 1n62 h GLU 200 CO 0.54 0.80 -0.80 0.08 -0.73 0.00 0.00 179.01 178.91 1n62 s VAL 201 N -5.36 0.96 -0.10 0.32 1.01 -0.27 -4.93 120.40 112.04 1n62 s VAL 201 Ca -0.13 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1n62 s VAL 201 Cb 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1n62 s VAL 201 CO 0.80 0.33 -0.21 -0.69 0.00 0.00 0.00 175.10 175.33 1n62 s VAL 202 N 1.01 1.87 -0.18 2.92 1.01 -1.26 -0.57 120.40 125.20 1n62 s VAL 202 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1n62 s VAL 202 Cb -0.15 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.64 1n62 s VAL 202 CO -0.00 0.52 -0.10 -0.55 0.00 0.00 0.00 175.10 174.96 1n62 s SER 203 N 0.46 3.19 -0.02 3.32 0.15 0.55 -4.99 113.70 116.36 1n62 s SER 203 Ca -0.17 -0.78 0.04 0.00 0.70 0.00 0.00 55.95 55.74 1n62 s SER 203 Cb -0.17 -1.17 -0.01 0.00 -1.71 0.00 0.00 66.02 62.96 1n62 s SER 203 CO 0.07 -0.14 -0.14 -0.75 1.20 0.00 0.00 173.24 173.48 1n62 s LYS 204 N 1.45 1.28 0.12 5.44 2.20 -1.26 -0.80 119.74 128.16 1n62 s LYS 204 Ca 0.00 -0.51 -0.13 0.00 -0.36 0.00 0.00 55.97 54.97 1n62 s LYS 204 Cb -0.15 -1.20 0.02 0.00 -1.51 0.00 0.00 37.83 34.99 1n62 s LYS 204 CO -0.09 0.28 0.32 -0.51 -0.36 0.00 0.00 175.35 174.99 1n62 s ASP 205 N -0.20 -0.09 -0.34 1.43 1.01 -0.43 -4.99 116.67 113.07 1n62 s ASP 205 Ca 0.03 -0.48 -0.05 0.00 0.71 0.00 0.00 52.55 52.75 1n62 s ASP 205 Cb -0.07 0.43 0.05 0.00 1.01 0.00 0.00 42.92 44.33 1n62 s ASP 205 CO 0.00 -0.82 0.09 -0.32 0.21 0.00 0.00 175.17 174.33 1n62 s MET 206 N -3.84 2.53 -0.24 8.23 1.75 -1.26 0.01 119.30 126.48 1n62 s MET 206 Ca 0.05 -1.25 -0.10 0.00 -1.25 0.00 0.00 55.69 53.14 1n62 s MET 206 Cb 0.03 -3.41 -0.04 0.00 2.84 0.00 0.00 34.83 34.25 1n62 s MET 206 CO -0.10 -0.69 0.14 -0.06 -0.65 0.00 0.00 175.02 173.65 1n62 s PHE 207 N 1.35 3.24 -0.21 4.11 0.08 0.41 -4.88 117.98 122.08 1n62 s PHE 207 Ca -0.02 0.06 -0.10 0.00 0.12 0.00 0.00 56.93 56.99 1n62 s PHE 207 Cb -0.20 -2.26 -0.05 0.00 -0.57 0.00 0.00 43.02 39.94 1n62 s PHE 207 CO 0.01 -0.05 0.14 0.99 -0.10 0.00 0.00 175.22 176.21 1n62 s THR 208 N 1.22 5.39 -0.50 0.64 2.01 -1.26 -0.15 115.64 123.00 1n62 s THR 208 Ca 0.06 0.20 -0.14 0.00 0.31 0.00 0.00 61.69 62.13 1n62 s THR 208 Cb -0.14 -3.48 0.11 0.00 0.01 0.00 0.00 72.50 68.99 1n62 s THR 208 CO 0.05 0.42 0.42 -0.47 -0.69 0.00 0.00 174.62 174.35 1n62 s TYR 209 N 0.53 3.29 0.78 4.92 6.14 0.47 -4.40 117.35 129.07 1n62 s TYR 209 Ca 0.08 -1.33 -0.11 0.00 0.64 0.00 0.00 57.07 56.35 1n62 s TYR 209 Cb -0.12 -3.50 0.06 0.00 0.42 0.00 0.00 41.96 38.83 1n62 s TYR 209 CO -0.00 -0.94 1.09 -3.38 0.64 0.00 0.00 175.55 172.96 1n62 s HIS 210 N 1.55 2.54 0.13 4.97 -3.43 -1.26 -0.49 115.29 119.29 1n62 s HIS 210 Ca 0.04 1.57 -0.31 0.00 -0.80 0.00 0.00 55.06 55.55 1n62 s HIS 210 Cb -0.27 -3.06 -0.08 0.00 -1.43 0.00 0.00 32.58 27.74 1n62 s HIS 210 CO 0.03 -1.84 1.39 0.50 -2.00 0.00 0.00 174.74 172.82 1n62 s ARG 211 N -4.89 4.32 0.00 -0.38 3.52 -1.26 -3.75 118.95 116.51 1n62 s ARG 211 Ca 0.61 2.09 0.00 0.00 -0.13 0.00 0.00 55.73 58.31 1n62 s ARG 211 Cb -0.17 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1n62 s ARG 211 CO 0.56 -0.43 0.00 1.33 -0.81 0.00 0.00 175.30 175.95 1n62 n VAL 212 N 3.83 0.00 -3.72 7.11 0.24 -0.21 -1.27 118.33 124.31 1n62 n VAL 212 Ca 0.11 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.27 1n62 n VAL 212 Cb 0.42 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.70 1n62 n VAL 212 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1n62 s HIS 213 N -1.72 -0.40 0.21 6.34 2.46 -1.26 -0.75 115.29 120.16 1n62 s HIS 213 Ca 0.00 0.88 0.21 0.00 0.47 0.00 0.00 55.06 56.62 1n62 s HIS 213 Cb 0.00 0.16 0.84 0.00 -0.13 0.00 0.00 32.58 33.45 1n62 s HIS 213 CO 0.00 -0.31 1.81 -1.00 -2.47 0.00 0.00 174.74 172.76 1n62 h PRO 214 N 4.75 0.00 -6.92 2.88 0.13 -1.87 -3.48 132.00 127.50 1n62 h PRO 214 Ca -0.28 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.29 1n62 h PRO 214 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1n62 h PRO 214 CO 0.30 0.31 -1.00 0.45 -0.23 0.00 0.00 178.00 177.82 1n62 n SER 215 N -3.56 -4.10 -4.75 1.44 2.88 -1.26 -4.88 113.62 99.39 1n62 n SER 215 Ca -0.00 -1.19 -0.36 0.00 -1.33 0.00 0.00 58.87 55.99 1n62 n SER 215 Cb 0.45 -1.52 0.04 0.00 -0.75 0.00 0.00 64.21 62.42 1n62 n SER 215 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1n62 s PRO 216 N -6.78 2.92 0.37 -1.46 0.04 -1.26 -4.89 135.00 123.94 1n62 s PRO 216 Ca 0.36 1.81 0.08 0.00 0.04 0.00 0.00 61.00 63.28 1n62 s PRO 216 Cb -0.20 -1.92 0.72 0.00 0.04 0.00 0.00 34.50 33.14 1n62 s PRO 216 CO 0.92 -1.24 1.90 1.25 0.04 0.00 0.00 177.00 179.87 1n62 h LEU 217 N 0.79 0.31 -9.27 -3.56 5.85 -1.86 -3.36 115.31 104.21 1n62 h LEU 217 Ca -0.50 -0.06 -0.58 0.00 0.84 0.00 0.00 57.88 57.57 1n62 h LEU 217 Cb 1.30 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 1n62 h LEU 217 CO 0.55 0.44 -0.10 -0.70 -0.34 0.00 0.00 178.44 178.29 1n62 s GLU 218 N -4.79 4.30 0.78 1.25 2.12 -0.93 -5.08 118.70 116.35 1n62 s GLU 218 Ca -0.06 0.45 -0.13 0.00 0.36 0.00 0.00 54.97 55.59 1n62 s GLU 218 Cb 0.15 -3.47 0.18 0.00 0.26 0.00 0.00 34.13 31.26 1n62 s GLU 218 CO 0.74 0.07 0.94 0.25 -0.54 0.00 0.00 175.26 176.72 1n62 n THR 219 N 3.93 0.00 -2.75 -1.70 -2.24 -1.26 -4.85 114.28 105.41 1n62 n THR 219 Ca -0.06 -0.63 -0.38 0.00 -2.27 0.00 0.00 64.05 60.71 1n62 n THR 219 Cb 0.51 -1.51 -0.06 0.00 -2.10 0.00 0.00 70.33 67.17 1n62 n THR 219 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n62 s GLN 221 N -1.64 0.70 0.19 0.00 -2.07 -1.26 -2.22 119.66 113.37 1n62 s GLN 221 Ca 0.46 -0.22 -0.15 0.00 -1.82 0.00 0.00 55.36 53.63 1n62 s GLN 221 Cb -0.23 0.32 0.02 0.00 -1.09 0.00 0.00 33.01 32.04 1n62 s GLN 221 CO 0.28 -0.30 0.47 0.00 -1.32 0.00 0.00 175.29 174.42 1n62 s VAL 223 N -3.90 1.29 -0.12 0.00 1.01 0.44 -0.52 120.40 118.59 1n62 s VAL 223 Ca 0.12 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1n62 s VAL 223 Cb -0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 1n62 s VAL 223 CO -0.01 0.24 0.23 0.00 0.00 0.00 0.00 175.10 175.55 1n62 s ALA 224 N 1.57 3.75 -0.30 5.51 0.00 0.48 -0.76 121.76 132.01 1n62 s ALA 224 Ca 0.02 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 1n62 s ALA 224 Cb -0.15 -2.19 0.10 0.00 0.00 0.00 0.00 23.12 20.89 1n62 s ALA 224 CO -0.08 0.39 0.12 0.45 0.00 0.00 0.00 175.76 176.65 1n62 s SER 225 N -0.47 3.65 -0.25 0.00 0.15 0.14 -0.09 113.70 116.83 1n62 s SER 225 Ca 0.16 -1.41 -0.27 0.00 0.70 0.00 0.00 55.95 55.13 1n62 s SER 225 Cb -0.13 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 1n62 s SER 225 CO 0.05 -0.43 0.93 -0.32 1.20 0.00 0.00 173.24 174.67 1n62 s MET 226 N 1.94 4.19 -0.60 5.44 1.75 -1.26 -0.48 119.30 130.28 1n62 s MET 226 Ca 0.10 1.11 -0.22 0.00 -1.25 0.00 0.00 55.69 55.43 1n62 s MET 226 Cb -0.17 -3.65 0.07 0.00 2.84 0.00 0.00 34.83 33.92 1n62 s MET 226 CO -0.33 -0.60 0.85 0.34 -0.65 0.00 0.00 175.02 174.63 1n62 s ASP 227 N 1.32 6.21 0.25 1.11 -1.08 0.74 -4.36 116.67 120.86 1n62 s ASP 227 Ca 0.39 -0.94 0.26 0.00 -0.52 0.00 0.00 52.55 51.74 1n62 s ASP 227 Cb -0.15 -2.38 0.80 0.00 -1.46 0.00 0.00 42.92 39.74 1n62 s ASP 227 CO 0.08 -1.25 1.75 0.11 0.52 0.00 0.00 175.17 176.38 1n62 h LYS 228 N 9.35 0.00 -0.26 4.34 1.57 -1.84 0.35 116.57 130.08 1n62 h LYS 228 Ca -0.28 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 1n62 h LYS 228 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1n62 h LYS 228 CO 1.11 0.00 -0.14 0.82 -0.57 0.00 0.00 179.45 180.68 1n62 h ILE 229 N 0.00 1.30 0.00 1.86 2.04 -1.95 -3.34 117.51 117.42 1n62 h ILE 229 Ca 0.00 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1n62 h ILE 229 Cb 0.70 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1n62 h ILE 229 CO 0.00 0.39 -1.08 0.29 0.00 0.00 0.00 178.15 177.75 1n62 n LYS 230 N -4.45 0.37 -2.73 2.37 5.02 -1.06 -4.97 118.16 112.71 1n62 n LYS 230 Ca -0.04 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.13 1n62 n LYS 230 Cb 0.36 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 33.77 1n62 n LYS 230 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n62 n GLY 231 N 1.33 0.03 3.06 0.72 0.00 0.12 -5.02 105.19 105.42 1n62 n GLY 231 Ca 0.01 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1n62 n GLY 231 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n62 s GLU 232 N -5.24 1.55 -0.22 1.61 2.02 -0.94 -4.91 118.70 112.57 1n62 s GLU 232 Ca 0.19 -0.45 -0.10 0.00 0.02 0.00 0.00 54.97 54.62 1n62 s GLU 232 Cb -0.08 -1.33 -0.05 0.00 0.10 0.00 0.00 34.13 32.77 1n62 s GLU 232 CO 0.23 0.12 0.14 -1.17 0.02 0.00 0.00 175.26 174.60 1n62 s LEU 233 N 0.34 4.11 -0.12 1.80 2.96 0.13 -0.19 118.68 127.71 1n62 s LEU 233 Ca -0.08 0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1n62 s LEU 233 Cb -0.13 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1n62 s LEU 233 CO 0.02 0.12 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.27 1n62 s THR 234 N 0.75 4.18 -0.28 3.68 2.01 0.37 0.06 115.64 126.41 1n62 s THR 234 Ca 0.07 -0.27 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 1n62 s THR 234 Cb -0.12 -2.80 0.09 0.00 0.01 0.00 0.00 72.50 69.68 1n62 s THR 234 CO 0.02 0.54 0.09 -0.22 -0.69 0.00 0.00 174.62 174.36 1n62 s LEU 235 N -0.25 1.64 0.22 4.42 2.96 0.17 0.25 118.68 128.09 1n62 s LEU 235 Ca 0.05 -1.39 -0.28 0.00 -0.22 0.00 0.00 54.13 52.29 1n62 s LEU 235 Cb -0.12 -0.69 -0.09 0.00 0.50 0.00 0.00 46.19 45.79 1n62 s LEU 235 CO 0.02 -0.40 0.88 0.26 -1.32 0.00 0.00 176.35 175.79 1n62 s TRP 236 N 1.78 3.95 0.02 5.38 0.51 0.06 -0.34 118.94 130.30 1n62 s TRP 236 Ca 0.07 1.81 -0.29 0.00 -2.12 0.00 0.00 56.10 55.58 1n62 s TRP 236 Cb -0.17 -2.90 0.10 0.00 -0.81 0.00 0.00 33.47 29.69 1n62 s TRP 236 CO -0.24 0.47 1.05 0.20 -0.51 0.00 0.00 176.95 177.92 1n62 s GLY 237 N -1.18 -0.34 -1.26 0.98 0.00 -0.28 -0.42 107.32 104.81 1n62 s GLY 237 Ca 0.39 0.70 -0.17 0.00 0.00 0.00 0.00 44.72 45.65 1n62 s GLY 237 CO 0.30 0.19 1.63 -0.51 0.00 0.00 0.00 173.10 174.72 1n62 s THR 238 N -2.92 4.38 -0.21 0.90 -4.23 -0.61 -4.20 115.64 108.75 1n62 s THR 238 Ca 0.10 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1n62 s THR 238 Cb 0.00 -5.11 0.03 0.00 1.34 0.00 0.00 72.50 68.77 1n62 s THR 238 CO -0.03 -1.90 -0.15 -0.36 -0.54 0.00 0.00 174.62 171.64 1n62 s PHE 239 N 3.47 2.96 0.18 3.99 0.08 -1.26 -4.74 117.98 122.67 1n62 s PHE 239 Ca 0.50 -1.80 0.28 0.00 0.12 0.00 0.00 56.93 56.04 1n62 s PHE 239 Cb 0.02 -1.95 1.19 0.00 -0.57 0.00 0.00 43.02 41.70 1n62 s PHE 239 CO 0.05 -0.81 1.93 1.96 -0.10 0.00 0.00 175.22 178.25 1n62 h GLN 240 N 7.91 0.00 -2.13 0.44 4.20 -1.26 -3.35 115.11 120.91 1n62 h GLN 240 Ca -0.37 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.77 1n62 h GLN 240 Cb 1.11 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.49 1n62 h GLN 240 CO 0.58 0.13 -0.95 0.00 -0.67 0.00 0.00 178.83 177.92 1n62 n ALA 241 N -2.19 2.90 0.02 3.87 0.00 -1.26 -1.19 120.51 122.65 1n62 n ALA 241 Ca -0.00 -3.72 -0.03 0.00 0.00 0.00 0.00 53.44 49.69 1n62 n ALA 241 Cb 0.35 -0.83 0.22 0.00 0.00 0.00 0.00 19.45 19.19 1n62 n ALA 241 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1n62 h PRO 242 N 4.29 0.47 -0.53 0.00 0.13 -1.90 -1.04 132.00 133.42 1n62 h PRO 242 Ca 0.13 -0.17 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 1n62 h PRO 242 Cb 0.83 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 1n62 h PRO 242 CO 0.55 0.67 -0.11 0.45 -0.23 0.00 0.00 178.00 179.32 1n62 h HIS 243 N 0.42 1.13 -0.63 1.56 3.86 -1.91 0.28 115.15 119.87 1n62 h HIS 243 Ca 0.07 -0.24 0.02 0.00 -1.16 0.00 0.00 60.37 59.06 1n62 h HIS 243 Cb 0.63 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 1n62 h HIS 243 CO 0.02 1.06 0.40 0.28 0.86 0.00 0.00 177.93 180.55 1n62 h VAL 244 N 0.88 1.10 -0.71 2.45 2.07 -1.63 -1.18 116.25 119.23 1n62 h VAL 244 Ca 0.14 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1n62 h VAL 244 Cb 0.68 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1n62 h VAL 244 CO 0.05 0.15 0.45 0.40 0.02 0.00 0.00 177.57 178.63 1n62 h ILE 245 N 0.80 1.11 -0.42 4.57 1.08 -0.87 -0.38 117.51 123.39 1n62 h ILE 245 Ca 0.25 -0.30 0.05 0.00 -0.39 0.00 0.00 64.86 64.46 1n62 h ILE 245 Cb -0.01 0.15 -0.04 0.00 -3.07 0.00 0.00 36.82 33.84 1n62 h ILE 245 CO -0.09 0.16 0.16 -0.09 -0.69 0.00 0.00 178.15 177.61 1n62 h ARG 246 N 0.88 0.33 -0.32 2.37 2.43 -0.15 0.19 114.38 120.11 1n62 h ARG 246 Ca 0.28 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.31 1n62 h ARG 246 Cb 0.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1n62 h ARG 246 CO -0.10 0.22 -0.32 1.15 -1.51 0.00 0.00 179.97 179.40 1n62 h THR 247 N 0.34 1.28 -0.25 0.20 2.02 -0.57 0.60 112.91 116.54 1n62 h THR 247 Ca 0.19 -1.46 -0.02 0.00 0.77 0.00 0.00 66.41 65.90 1n62 h THR 247 Cb 0.16 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1n62 h THR 247 CO -0.18 0.47 0.10 0.58 0.37 0.00 0.00 175.52 176.86 1n62 h VAL 248 N 0.58 1.18 -0.37 3.16 2.07 -0.76 -0.62 116.25 121.48 1n62 h VAL 248 Ca 0.06 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1n62 h VAL 248 Cb 0.83 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1n62 h VAL 248 CO 0.07 0.18 0.04 0.58 0.02 0.00 0.00 177.57 178.47 1n62 h VAL 249 N 0.25 1.19 -0.37 2.57 2.07 -0.23 -1.28 116.25 120.45 1n62 h VAL 249 Ca 0.08 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1n62 h VAL 249 Cb 0.19 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1n62 h VAL 249 CO -0.01 0.25 0.07 -1.28 0.02 0.00 0.00 177.57 176.63 1n62 h SER 250 N 0.54 0.58 -0.59 0.57 0.87 -0.43 0.11 113.55 115.20 1n62 h SER 250 Ca 0.12 -0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.38 1n62 h SER 250 Cb 0.28 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1n62 h SER 250 CO 0.00 0.68 0.19 -0.07 -0.53 0.00 0.00 176.83 177.10 1n62 h LEU 251 N 0.45 0.88 0.00 2.23 -0.00 -0.44 0.72 115.31 119.15 1n62 h LEU 251 Ca 0.11 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1n62 h LEU 251 Cb 0.34 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1n62 h LEU 251 CO 0.00 0.84 -0.90 2.30 -0.00 0.00 0.00 178.44 180.68 1n62 n ILE 252 N -4.27 0.19 -0.04 1.22 -5.35 -0.55 -4.04 119.36 106.52 1n62 n ILE 252 Ca 0.05 -0.22 0.03 0.00 -0.27 0.00 0.00 62.75 62.34 1n62 n ILE 252 Cb 0.22 0.17 -0.15 0.00 -1.74 0.00 0.00 39.64 38.13 1n62 n ILE 252 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1n62 n SER 253 N -1.94 0.46 0.00 7.28 3.41 0.36 -4.95 113.62 118.24 1n62 n SER 253 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1n62 n SER 253 Cb 0.42 1.54 0.00 0.00 -0.26 0.00 0.00 64.21 65.92 1n62 n SER 253 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n62 n GLY 254 N 1.56 0.95 3.78 5.00 0.00 0.24 -5.01 105.19 111.71 1n62 n GLY 254 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1n62 n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n62 s LEU 255 N 0.00 4.31 0.49 0.99 1.43 -1.24 -5.00 118.68 119.65 1n62 s LEU 255 Ca 0.00 2.00 -0.19 0.00 -1.03 0.00 0.00 54.13 54.91 1n62 s LEU 255 Cb 0.00 -4.00 -0.09 0.00 0.03 0.00 0.00 46.19 42.14 1n62 s LEU 255 CO 0.00 -0.24 1.00 -2.16 0.23 0.00 0.00 176.35 175.17 1n62 s PRO 256 N -2.08 3.93 0.48 1.29 0.04 -1.26 -4.32 135.00 133.07 1n62 s PRO 256 Ca 0.52 1.15 0.13 0.00 0.04 0.00 0.00 61.00 62.84 1n62 s PRO 256 Cb -0.23 -2.13 1.11 0.00 0.04 0.00 0.00 34.50 33.29 1n62 s PRO 256 CO 0.29 -0.29 2.10 0.93 0.04 0.00 0.00 177.00 180.06 1n62 h GLU 257 N 1.38 0.16 0.00 4.56 5.08 -1.91 -0.44 114.58 123.41 1n62 h GLU 257 Ca -0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1n62 h GLU 257 Cb 1.20 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1n62 h GLU 257 CO 0.60 0.14 0.00 -2.39 -1.00 0.00 0.00 179.01 176.36 1n62 n HIS 258 N -4.49 0.00 -0.64 4.33 1.44 -1.26 -2.10 115.22 112.50 1n62 n HIS 258 Ca -0.01 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.77 1n62 n HIS 258 Cb 0.11 -0.28 0.19 0.00 0.12 0.00 0.00 29.99 30.12 1n62 n HIS 258 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1n62 n LYS 259 N -1.28 2.75 -4.00 -1.40 5.02 -0.18 -4.85 118.16 114.22 1n62 n LYS 259 Ca 0.11 -2.44 -0.31 0.00 -2.02 0.00 0.00 58.31 53.65 1n62 n LYS 259 Cb 0.18 -1.55 -0.16 0.00 -0.02 0.00 0.00 35.03 33.49 1n62 n LYS 259 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1n62 s ILE 260 N -2.06 1.68 -0.58 -0.18 1.01 -0.89 -0.69 121.20 119.48 1n62 s ILE 260 Ca 0.31 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 1n62 s ILE 260 Cb 0.23 -1.76 0.15 0.00 0.01 0.00 0.00 42.46 41.09 1n62 s ILE 260 CO 0.10 0.14 0.44 -1.00 0.00 0.00 0.00 174.94 174.61 1n62 s HIS 261 N 1.37 3.49 -0.02 3.97 3.76 0.11 -4.82 115.29 123.15 1n62 s HIS 261 Ca -0.02 -2.23 -0.23 0.00 -0.15 0.00 0.00 55.06 52.43 1n62 s HIS 261 Cb -0.17 -3.43 -0.05 0.00 1.11 0.00 0.00 32.58 30.05 1n62 s HIS 261 CO -0.08 -0.94 0.67 0.08 -0.85 0.00 0.00 174.74 173.62 1n62 s VAL 262 N 0.66 4.93 -0.21 -0.90 1.01 -1.26 -0.66 120.40 123.97 1n62 s VAL 262 Ca 0.12 1.40 -0.00 0.00 0.00 0.00 0.00 61.98 63.49 1n62 s VAL 262 Cb -0.21 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.22 1n62 s VAL 262 CO -0.03 0.34 -0.03 -0.63 0.00 0.00 0.00 175.10 174.74 1n62 s ILE 263 N 0.25 1.18 -0.45 2.22 1.01 0.54 -0.93 121.20 125.02 1n62 s ILE 263 Ca 0.35 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 1n62 s ILE 263 Cb -0.18 -1.49 0.03 0.00 0.01 0.00 0.00 42.46 40.83 1n62 s ILE 263 CO 0.19 -0.08 0.54 0.00 0.00 0.00 0.00 174.94 175.59 1n62 s ALA 264 N 1.57 3.39 0.21 9.38 0.00 0.57 -1.13 121.76 135.75 1n62 s ALA 264 Ca -0.03 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1n62 s ALA 264 Cb -0.18 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1n62 s ALA 264 CO -0.07 -1.75 0.00 -0.35 0.00 0.00 0.00 175.76 173.59 1n62 n PRO 265 N 5.93 3.51 -2.26 0.00 -0.04 -1.26 -4.47 135.00 136.42 1n62 n PRO 265 Ca -0.05 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.00 1n62 n PRO 265 Cb 0.47 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.90 1n62 n PRO 265 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n62 s ASP 266 N -1.00 6.94 -0.10 3.54 1.01 0.36 -4.99 116.67 122.42 1n62 s ASP 266 Ca 0.00 2.51 0.03 0.00 0.71 0.00 0.00 52.55 55.80 1n62 s ASP 266 Cb 0.00 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.30 1n62 s ASP 266 CO 0.00 -0.40 -0.20 -0.63 0.21 0.00 0.00 175.17 174.15 1n62 s ILE 267 N -1.17 1.84 -1.55 0.77 1.01 -1.26 -4.09 121.20 116.75 1n62 s ILE 267 Ca 0.48 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 1n62 s ILE 267 Cb -0.36 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1n62 s ILE 267 CO 0.47 0.51 2.86 0.61 0.00 0.00 0.00 174.94 179.39 1n62 n GLY 268 N 3.78 4.44 0.00 6.18 0.00 -1.26 -4.35 105.19 113.98 1n62 n GLY 268 Ca -0.20 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1n62 n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n62 n GLY 269 N 3.18 -2.10 1.45 -0.02 0.00 -1.15 -2.18 105.19 104.37 1n62 n GLY 269 Ca 0.75 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1n62 n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n62 n GLY 270 N -0.90 -0.15 2.41 -0.02 0.00 -1.26 -4.71 105.19 100.55 1n62 n GLY 270 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1n62 n GLY 270 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n62 n PHE 271 N -3.47 -0.91 0.00 1.61 3.72 -1.26 -0.82 117.46 116.33 1n62 n PHE 271 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1n62 n PHE 271 Cb 0.01 -3.48 0.00 0.00 -0.94 0.00 0.00 39.48 35.08 1n62 n PHE 271 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n62 n GLY 272 N -0.81 1.39 0.25 1.37 0.00 -1.26 0.19 105.19 106.32 1n62 n GLY 272 Ca -0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1n62 n GLY 272 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1n62 h ASN 273 N 0.00 0.00 -0.28 1.61 -1.24 -1.32 -3.27 115.58 111.08 1n62 h ASN 273 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 1n62 h ASN 273 Cb 0.00 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 38.98 1n62 h ASN 273 CO 0.00 0.15 -0.08 0.29 -1.29 0.00 0.00 177.43 176.49 1n62 n LYS 274 N -3.51 2.02 -0.06 6.67 5.02 -1.26 -4.59 118.16 122.44 1n62 n LYS 274 Ca -0.01 -3.07 -0.06 0.00 -2.02 0.00 0.00 58.31 53.15 1n62 n LYS 274 Cb 0.30 -1.79 -0.04 0.00 -0.02 0.00 0.00 35.03 33.48 1n62 n LYS 274 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1n62 h VAL 275 N 1.10 0.49 -4.03 -0.18 2.07 -1.86 0.01 116.25 113.85 1n62 h VAL 275 Ca 0.14 -1.40 -0.44 0.00 0.82 0.00 0.00 66.70 65.81 1n62 h VAL 275 Cb 1.52 0.96 0.16 0.00 -1.52 0.00 0.00 31.29 32.41 1n62 h VAL 275 CO 0.30 0.17 0.34 -0.83 0.02 0.00 0.00 177.57 177.57 1n62 s GLY 276 N -3.91 1.68 0.13 2.17 0.00 -1.26 -4.58 107.32 101.55 1n62 s GLY 276 Ca -0.09 -0.97 -0.12 0.00 0.00 0.00 0.00 44.72 43.54 1n62 s GLY 276 CO 0.24 -0.25 0.49 0.00 0.00 0.00 0.00 173.10 173.58 1n62 s ALA 277 N -3.57 3.64 0.27 3.20 0.00 -1.26 -5.02 121.76 119.01 1n62 s ALA 277 Ca 0.70 -0.25 0.11 0.00 0.00 0.00 0.00 51.96 52.52 1n62 s ALA 277 Cb -0.08 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 1n62 s ALA 277 CO 0.53 0.51 -0.13 0.71 0.00 0.00 0.00 175.76 177.38 1n62 s TYR 278 N -1.48 2.45 0.30 0.00 2.02 -1.26 -5.02 117.35 114.35 1n62 s TYR 278 Ca 0.37 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.83 1n62 s TYR 278 Cb -0.14 -1.08 0.75 0.00 -0.40 0.00 0.00 41.96 41.08 1n62 s TYR 278 CO 0.19 0.66 1.72 1.03 -1.57 0.00 0.00 175.55 177.58 1n62 h SER 279 N 2.22 0.48 -0.99 2.29 0.87 -1.90 -0.87 113.55 115.64 1n62 h SER 279 Ca -0.42 0.14 0.12 0.00 -1.23 0.00 0.00 61.79 60.39 1n62 h SER 279 Cb 1.25 0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 63.21 1n62 h SER 279 CO 0.59 0.07 0.63 1.23 -0.53 0.00 0.00 176.83 178.82 1n62 h GLY 280 N 0.50 1.58 0.84 5.77 0.00 -1.95 0.14 103.07 109.95 1n62 h GLY 280 Ca 0.57 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 1n62 h GLY 280 CO -0.48 0.17 -0.04 -0.97 0.00 0.00 0.00 176.54 175.22 1n62 h TYR 281 N 0.98 0.50 -0.41 5.60 0.05 -1.57 -0.35 116.97 121.78 1n62 h TYR 281 Ca 0.48 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 59.16 1n62 h TYR 281 Cb 0.48 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 1n62 h TYR 281 CO -0.00 0.66 0.23 0.28 -1.05 0.00 0.00 178.16 178.28 1n62 h VAL 282 N 0.19 1.14 -0.59 -2.88 2.07 -1.19 -1.32 116.25 113.69 1n62 h VAL 282 Ca 0.06 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 1n62 h VAL 282 Cb 0.48 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1n62 h VAL 282 CO 0.02 0.15 0.03 0.00 0.02 0.00 0.00 177.57 177.78 1n62 h ALA 284 N 0.99 1.28 -0.14 0.00 0.00 -0.87 0.37 119.26 120.89 1n62 h ALA 284 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1n62 h ALA 284 Cb 0.52 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1n62 h ALA 284 CO 0.02 0.61 -0.03 0.28 0.00 0.00 0.00 179.25 180.13 1n62 h VAL 285 N 1.31 1.29 -0.59 0.00 2.07 -0.81 -0.19 116.25 119.33 1n62 h VAL 285 Ca 0.38 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1n62 h VAL 285 Cb -0.09 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1n62 h VAL 285 CO -0.10 0.28 0.34 0.58 0.02 0.00 0.00 177.57 178.69 1n62 h VAL 286 N -0.04 1.19 -0.66 2.57 2.07 -0.57 -0.16 116.25 120.65 1n62 h VAL 286 Ca 0.04 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1n62 h VAL 286 Cb 0.45 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1n62 h VAL 286 CO 0.01 0.20 0.32 0.00 0.02 0.00 0.00 177.57 178.13 1n62 h ALA 287 N 1.16 0.84 -0.29 1.67 0.00 -0.80 0.64 119.26 122.48 1n62 h ALA 287 Ca 0.21 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1n62 h ALA 287 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1n62 h ALA 287 CO -0.04 0.40 -0.20 1.03 0.00 0.00 0.00 179.25 180.44 1n62 h SER 288 N 0.90 0.54 -0.60 0.00 0.87 -0.45 0.35 113.55 115.16 1n62 h SER 288 Ca 0.23 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 1n62 h SER 288 Cb 0.10 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1n62 h SER 288 CO -0.03 0.75 0.11 0.40 -0.53 0.00 0.00 176.83 177.53 1n62 h ILE 289 N 0.49 1.26 -0.37 2.23 2.04 -0.37 0.44 117.51 123.22 1n62 h ILE 289 Ca 0.08 -0.97 -0.12 0.00 1.00 0.00 0.00 64.86 64.84 1n62 h ILE 289 Cb 0.63 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1n62 h ILE 289 CO 0.04 0.36 -0.25 0.58 0.00 0.00 0.00 178.15 178.88 1n62 h VAL 290 N 0.89 1.28 0.00 1.67 2.07 -0.49 -3.29 116.25 118.39 1n62 h VAL 290 Ca 0.18 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1n62 h VAL 290 Cb 0.41 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1n62 h VAL 290 CO 0.01 0.46 -1.40 0.18 0.02 0.00 0.00 177.57 176.85 1n62 n LEU 291 N -4.21 0.54 -0.77 2.57 4.77 0.08 -4.97 117.00 115.01 1n62 n LEU 291 Ca -0.02 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 1n62 n LEU 291 Cb 0.46 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1n62 n LEU 291 CO 0.45 -0.09 -0.09 0.61 -1.33 0.00 0.00 177.39 176.94 1n62 n GLY 292 N 1.23 0.90 3.30 -0.72 0.00 0.15 -5.01 105.19 105.04 1n62 n GLY 292 Ca -0.03 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 1n62 n GLY 292 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n62 s VAL 293 N -2.36 0.83 0.61 1.61 -7.23 -1.24 -4.68 120.40 107.94 1n62 s VAL 293 Ca 0.00 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.00 1n62 s VAL 293 Cb 0.00 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1n62 s VAL 293 CO 0.00 -0.29 1.09 -2.84 -0.31 0.00 0.00 175.10 172.75 1n62 s PRO 294 N -3.92 3.10 -0.07 4.82 0.02 -1.26 -4.40 135.00 133.29 1n62 s PRO 294 Ca 0.29 1.36 -0.01 0.00 0.02 0.00 0.00 61.00 62.66 1n62 s PRO 294 Cb 0.06 -1.99 0.03 0.00 0.02 0.00 0.00 34.50 32.62 1n62 s PRO 294 CO 0.08 -1.00 0.01 0.08 -0.33 0.00 0.00 177.00 175.84 1n62 s VAL 295 N -2.28 0.33 -0.08 3.83 1.01 0.86 -0.06 120.40 124.01 1n62 s VAL 295 Ca 0.67 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 1n62 s VAL 295 Cb -0.19 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1n62 s VAL 295 CO 0.37 0.25 0.28 -0.75 0.00 0.00 0.00 175.10 175.25 1n62 s LYS 296 N 1.98 3.84 -0.09 2.72 2.20 0.54 -0.39 119.74 130.53 1n62 s LYS 296 Ca 0.05 0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.81 1n62 s LYS 296 Cb -0.12 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 32.95 1n62 s LYS 296 CO -0.05 0.61 -0.11 -0.46 -0.36 0.00 0.00 175.35 174.98 1n62 s TRP 297 N -0.66 1.54 -0.11 4.03 -0.00 0.32 -0.07 118.94 123.98 1n62 s TRP 297 Ca 0.19 -0.67 -0.01 0.00 -0.00 0.00 0.00 56.10 55.60 1n62 s TRP 297 Cb -0.14 -1.18 0.03 0.00 -0.00 0.00 0.00 33.47 32.18 1n62 s TRP 297 CO 0.08 -0.39 -0.02 0.08 -0.00 0.00 0.00 176.95 176.69 1n62 s VAL 298 N 1.08 0.66 0.46 5.86 1.01 -1.26 -0.58 120.40 127.62 1n62 s VAL 298 Ca -0.06 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 1n62 s VAL 298 Cb -0.14 -0.84 -0.08 0.00 0.00 0.00 0.00 36.38 35.32 1n62 s VAL 298 CO -0.01 0.20 0.89 -1.83 0.00 0.00 0.00 175.10 174.34 1n62 s GLU 299 N 1.84 3.90 0.65 2.72 -1.05 -0.94 -5.03 118.70 120.79 1n62 s GLU 299 Ca 0.04 0.76 -0.07 0.00 -0.15 0.00 0.00 54.97 55.54 1n62 s GLU 299 Cb -0.13 -2.25 0.03 0.00 -0.44 0.00 0.00 34.13 31.33 1n62 s GLU 299 CO -0.07 -0.14 0.97 -0.51 0.95 0.00 0.00 175.26 176.46 1n62 s ASP 300 N -3.01 5.30 0.16 0.83 1.01 -1.26 -4.73 116.67 114.96 1n62 s ASP 300 Ca 0.56 0.69 -0.16 0.00 0.71 0.00 0.00 52.55 54.36 1n62 s ASP 300 Cb -0.10 -1.54 0.05 0.00 1.01 0.00 0.00 42.92 42.34 1n62 s ASP 300 CO 0.30 -1.29 1.79 -0.09 0.21 0.00 0.00 175.17 176.09 1n62 h ARG 301 N -0.40 0.46 -0.87 8.23 9.65 -1.97 -0.41 114.38 129.05 1n62 h ARG 301 Ca -0.45 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.45 1n62 h ARG 301 Cb 1.28 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 29.70 1n62 h ARG 301 CO 0.61 0.30 0.57 0.52 2.80 0.00 0.00 179.97 184.77 1n62 h MET 302 N 0.47 1.01 -0.45 0.20 2.86 -1.95 0.20 114.93 117.26 1n62 h MET 302 Ca 0.16 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.60 1n62 h MET 302 Cb 0.02 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1n62 h MET 302 CO -0.08 0.67 -0.27 0.93 1.06 0.00 0.00 176.91 179.21 1n62 h GLU 303 N 1.04 0.99 -0.16 1.72 5.08 -1.73 -2.06 114.58 119.46 1n62 h GLU 303 Ca 0.36 -0.45 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1n62 h GLU 303 Cb 0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1n62 h GLU 303 CO -0.12 1.13 0.05 -0.97 -1.00 0.00 0.00 179.01 178.10 1n62 h ASN 304 N 0.83 0.05 0.76 1.42 -1.24 0.00 -0.14 115.58 117.27 1n62 h ASN 304 Ca 0.09 0.02 -0.10 0.00 0.71 0.00 0.00 56.30 57.02 1n62 h ASN 304 Cb 0.86 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.91 1n62 h ASN 304 CO 0.08 0.05 -0.47 -0.07 -1.29 0.00 0.00 177.43 175.73 1n62 h LEU 305 N 0.12 0.00 0.00 0.34 3.38 -0.83 -2.80 115.31 115.52 1n62 h LEU 305 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n62 h LEU 305 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1n62 h LEU 305 CO -0.07 0.47 -1.08 -1.54 0.09 0.00 0.00 178.44 176.31 1n62 n SER 306 N -3.64 0.85 0.00 -0.43 3.41 -0.79 -4.61 113.62 108.42 1n62 n SER 306 Ca -0.01 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 1n62 n SER 306 Cb 0.55 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.63 1n62 n SER 306 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n62 n THR 307 N -1.58 0.00 -4.08 6.66 -2.24 -0.09 -4.51 114.28 108.45 1n62 n THR 307 Ca 0.03 -0.16 -0.27 0.00 -2.27 0.00 0.00 64.05 61.38 1n62 n THR 307 Cb 0.34 1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 69.97 1n62 n THR 307 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1n62 s THR 308 N -0.12 1.68 -0.26 4.28 -4.23 -1.06 -4.76 115.64 111.17 1n62 s THR 308 Ca 0.00 -1.61 -0.36 0.00 -1.18 0.00 0.00 61.69 58.54 1n62 s THR 308 Cb 0.00 -2.29 -0.12 0.00 1.34 0.00 0.00 72.50 71.43 1n62 s THR 308 CO 0.00 0.00 2.00 -1.54 -0.54 0.00 0.00 174.62 174.54 1n62 n SER 309 N -1.59 2.59 -4.72 3.99 3.41 -1.26 -4.80 113.62 111.25 1n62 n SER 309 Ca -0.05 0.72 -0.29 0.00 -0.26 0.00 0.00 58.87 59.00 1n62 n SER 309 Cb 0.65 -1.27 0.15 0.00 -0.26 0.00 0.00 64.21 63.48 1n62 n SER 309 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1n62 s PHE 310 N 5.55 2.35 0.13 7.33 -0.12 -1.05 -4.36 117.98 127.81 1n62 s PHE 310 Ca 1.02 0.85 0.07 0.00 -0.05 0.00 0.00 56.93 58.83 1n62 s PHE 310 Cb -0.85 -3.39 -0.04 0.00 -0.63 0.00 0.00 43.02 38.11 1n62 s PHE 310 CO 0.54 -2.53 -0.17 0.00 -0.05 0.00 0.00 175.22 173.00 1n62 s ALA 311 N -3.22 1.75 0.00 1.99 0.00 0.07 -0.23 121.76 122.11 1n62 s ALA 311 Ca 0.65 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1n62 s ALA 311 Cb -0.15 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1n62 s ALA 311 CO 0.54 0.22 0.00 0.54 0.00 0.00 0.00 175.76 177.07 1n62 n ARG 312 N 0.64 0.00 -2.86 0.00 5.12 -0.83 -1.04 116.66 117.68 1n62 n ARG 312 Ca -0.16 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.65 1n62 n ARG 312 Cb 0.56 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.91 1n62 n ARG 312 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1n62 n ASP 313 N 6.21 -2.90 -4.33 0.55 -0.08 0.35 -4.76 116.55 111.60 1n62 n ASP 313 Ca 0.00 -0.43 -0.32 0.00 -1.51 0.00 0.00 54.79 52.53 1n62 n ASP 313 Cb 0.00 -3.57 -0.15 0.00 2.34 0.00 0.00 41.12 39.74 1n62 n ASP 313 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1n62 s TYR 314 N -3.24 2.62 -0.35 -0.67 1.51 -0.80 -1.62 117.35 114.79 1n62 s TYR 314 Ca 0.09 -0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 55.47 1n62 s TYR 314 Cb -0.01 -1.70 0.09 0.00 -0.11 0.00 0.00 41.96 40.22 1n62 s TYR 314 CO 0.48 -0.19 0.09 -1.01 -1.11 0.00 0.00 175.55 173.82 1n62 s HIS 315 N 0.00 3.51 -0.39 2.71 3.76 0.14 -0.40 115.29 124.63 1n62 s HIS 315 Ca -0.07 -2.37 -0.06 0.00 -0.15 0.00 0.00 55.06 52.42 1n62 s HIS 315 Cb -0.15 -2.75 0.08 0.00 1.11 0.00 0.00 32.58 30.87 1n62 s HIS 315 CO 0.05 -0.91 0.19 -1.64 -0.85 0.00 0.00 174.74 171.58 1n62 s MET 316 N 1.12 2.36 -0.58 1.40 1.00 0.79 -0.80 119.30 124.61 1n62 s MET 316 Ca 0.04 -1.54 -0.26 0.00 0.00 0.00 0.00 55.69 53.93 1n62 s MET 316 Cb -0.21 -3.59 0.04 0.00 0.00 0.00 0.00 34.83 31.07 1n62 s MET 316 CO -0.04 -0.93 1.05 0.99 0.00 0.00 0.00 175.02 176.09 1n62 s THR 317 N 1.29 4.22 -0.09 2.05 2.01 0.11 -0.45 115.64 124.79 1n62 s THR 317 Ca 0.03 0.49 0.04 0.00 0.31 0.00 0.00 61.69 62.56 1n62 s THR 317 Cb -0.22 -4.63 0.00 0.00 0.01 0.00 0.00 72.50 67.65 1n62 s THR 317 CO -0.01 -1.25 -0.23 -0.89 -0.69 0.00 0.00 174.62 171.56 1n62 s THR 318 N 4.41 1.97 0.01 -0.82 2.01 0.10 -0.86 115.64 122.46 1n62 s THR 318 Ca 0.35 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1n62 s THR 318 Cb -0.11 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 1n62 s THR 318 CO 0.21 0.54 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.97 1n62 s GLU 319 N 0.31 0.75 -0.02 4.92 2.02 0.58 -1.31 118.70 125.94 1n62 s GLU 319 Ca -0.17 -0.44 0.07 0.00 0.02 0.00 0.00 54.97 54.45 1n62 s GLU 319 Cb -0.17 -0.71 -0.02 0.00 0.10 0.00 0.00 34.13 33.33 1n62 s GLU 319 CO 0.08 0.19 -0.21 -0.51 0.02 0.00 0.00 175.26 174.82 1n62 s LEU 320 N -0.50 2.04 -0.09 1.80 1.43 0.02 -1.00 118.68 122.37 1n62 s LEU 320 Ca 0.02 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1n62 s LEU 320 Cb -0.05 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1n62 s LEU 320 CO 0.00 0.26 0.01 0.00 0.23 0.00 0.00 176.35 176.85 1n62 s ALA 321 N -0.48 3.30 0.21 4.21 0.00 -0.28 -0.33 121.76 128.39 1n62 s ALA 321 Ca 0.08 -0.80 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 1n62 s ALA 321 Cb -0.08 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1n62 s ALA 321 CO -0.01 0.56 0.36 0.00 0.00 0.00 0.00 175.76 176.68 1n62 s ALA 322 N -0.80 -0.00 0.63 0.00 0.00 0.27 0.47 121.76 122.32 1n62 s ALA 322 Ca 0.12 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 1n62 s ALA 322 Cb -0.11 1.02 0.03 0.00 0.00 0.00 0.00 23.12 24.06 1n62 s ALA 322 CO 0.02 -0.74 0.92 0.95 0.00 0.00 0.00 175.76 176.92 1n62 s THR 323 N -4.01 2.92 0.25 0.00 -4.23 -0.06 -1.11 115.64 109.39 1n62 s THR 323 Ca 0.22 -0.24 0.30 0.00 -1.18 0.00 0.00 61.69 60.79 1n62 s THR 323 Cb 0.02 -3.19 0.32 0.00 1.34 0.00 0.00 72.50 70.99 1n62 s THR 323 CO 0.05 -0.19 1.99 0.11 -0.54 0.00 0.00 174.62 176.05 1n62 h LYS 324 N -0.30 0.00 -0.01 3.99 1.57 -1.91 0.29 116.57 120.20 1n62 h LYS 324 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1n62 h LYS 324 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1n62 h LYS 324 CO 0.59 0.11 -0.02 -0.25 -0.57 0.00 0.00 179.45 179.30 1n62 n ASP 325 N -3.33 0.82 0.00 0.86 8.00 -1.26 -4.92 116.55 116.72 1n62 n ASP 325 Ca -0.01 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1n62 n ASP 325 Cb 0.31 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1n62 n ASP 325 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n62 n GLY 326 N 1.13 1.11 3.68 0.44 0.00 0.09 -5.05 105.19 106.60 1n62 n GLY 326 Ca 0.20 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1n62 n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n62 s LYS 327 N -2.23 4.30 -0.05 1.61 -0.14 -1.26 -4.81 119.74 117.15 1n62 s LYS 327 Ca 0.00 0.79 -0.30 0.00 -1.36 0.00 0.00 55.97 55.10 1n62 s LYS 327 Cb 0.00 -3.54 -0.02 0.00 -1.68 0.00 0.00 37.83 32.59 1n62 s LYS 327 CO 0.00 -0.17 1.01 0.42 -0.76 0.00 0.00 175.35 175.86 1n62 s ILE 328 N 1.62 4.77 -0.12 2.17 1.01 -1.26 -0.88 121.20 128.51 1n62 s ILE 328 Ca 0.34 2.01 0.18 0.00 0.00 0.00 0.00 60.65 63.18 1n62 s ILE 328 Cb -0.16 -4.29 -0.27 0.00 0.01 0.00 0.00 42.46 37.75 1n62 s ILE 328 CO 0.13 0.07 0.24 0.18 0.00 0.00 0.00 174.94 175.56 1n62 n LEU 329 N 4.54 0.00 -3.60 2.97 4.77 0.18 -4.60 117.00 121.25 1n62 n LEU 329 Ca 0.08 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1n62 n LEU 329 Cb 0.49 0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 1n62 n LEU 329 CO 0.52 0.26 1.01 0.00 -1.33 0.00 0.00 177.39 177.85 1n62 s ALA 330 N -2.89 -2.08 -0.00 -1.18 0.00 -1.18 -4.00 121.76 110.43 1n62 s ALA 330 Ca -0.08 1.51 0.04 0.00 0.00 0.00 0.00 51.96 53.43 1n62 s ALA 330 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1n62 s ALA 330 CO 0.81 -0.64 -0.14 1.41 0.00 0.00 0.00 175.76 177.20 1n62 s MET 331 N -2.43 1.11 -0.05 0.00 1.75 -1.14 -1.13 119.30 117.43 1n62 s MET 331 Ca 0.10 -0.54 0.01 0.00 -1.25 0.00 0.00 55.69 54.01 1n62 s MET 331 Cb -0.00 -1.08 0.02 0.00 2.84 0.00 0.00 34.83 36.60 1n62 s MET 331 CO -0.05 0.29 -0.05 0.50 -0.65 0.00 0.00 175.02 175.07 1n62 s ARG 332 N -0.45 0.86 -0.02 4.11 3.52 -0.17 -1.26 118.95 125.54 1n62 s ARG 332 Ca 0.05 -0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 1n62 s ARG 332 Cb -0.06 -0.87 0.02 0.00 -1.56 0.00 0.00 34.95 32.48 1n62 s ARG 332 CO -0.00 -0.08 0.02 0.00 -0.81 0.00 0.00 175.30 174.42 1n62 s HIS 334 N 0.74 2.52 -0.11 0.00 5.04 -0.04 -1.04 115.29 122.40 1n62 s HIS 334 Ca -0.06 -0.82 0.02 0.00 -1.54 0.00 0.00 55.06 52.66 1n62 s HIS 334 Cb -0.09 -1.66 -0.01 0.00 0.04 0.00 0.00 32.58 30.86 1n62 s HIS 334 CO -0.02 -0.28 -0.16 0.08 -2.34 0.00 0.00 174.74 172.03 1n62 s VAL 335 N 0.03 2.82 -0.34 0.89 1.01 0.57 0.10 120.40 125.48 1n62 s VAL 335 Ca -0.09 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 1n62 s VAL 335 Cb -0.15 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1n62 s VAL 335 CO 0.06 0.54 0.22 -0.22 0.00 0.00 0.00 175.10 175.70 1n62 s LEU 336 N 0.13 4.48 -0.21 3.92 2.96 0.02 -0.69 118.68 129.29 1n62 s LEU 336 Ca -0.08 -0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 53.22 1n62 s LEU 336 Cb -0.15 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 1n62 s LEU 336 CO 0.05 -0.26 0.06 0.00 -1.32 0.00 0.00 176.35 174.88 1n62 s ALA 337 N 1.67 3.24 -0.41 5.97 0.00 0.57 -0.68 121.76 132.13 1n62 s ALA 337 Ca 0.05 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 1n62 s ALA 337 Cb -0.18 -1.97 0.02 0.00 0.00 0.00 0.00 23.12 20.99 1n62 s ALA 337 CO 0.09 -0.15 0.39 0.34 0.00 0.00 0.00 175.76 176.43 1n62 s ASP 338 N 0.99 6.17 0.00 0.00 -1.08 -0.64 -0.81 116.67 121.30 1n62 s ASP 338 Ca 0.04 -0.66 0.24 0.00 -0.52 0.00 0.00 52.55 51.65 1n62 s ASP 338 Cb -0.14 -2.20 0.36 0.00 -1.46 0.00 0.00 42.92 39.48 1n62 s ASP 338 CO 0.03 -0.51 1.36 1.41 0.52 0.00 0.00 175.17 177.98 1n62 n HIS 339 N 5.46 0.09 -4.62 -5.34 8.25 -0.43 -4.83 115.22 113.80 1n62 n HIS 339 Ca -0.08 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1n62 n HIS 339 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1n62 n HIS 339 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n62 n GLY 340 N 1.35 0.10 0.11 -1.41 0.00 -1.26 -4.09 105.19 99.99 1n62 n GLY 340 Ca 0.16 -0.97 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 1n62 n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 h ALA 341 N -0.62 0.56 -4.04 4.61 0.00 0.84 -2.01 119.26 118.61 1n62 h ALA 341 Ca 0.00 -0.62 -0.43 0.00 0.00 0.00 0.00 54.91 53.85 1n62 h ALA 341 Cb 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 17.41 1n62 h ALA 341 CO 0.00 0.85 -0.79 -0.06 0.00 0.00 0.00 179.25 179.25 1n62 s PHE 342 N -2.87 1.05 -0.74 0.00 0.08 -1.26 -4.84 117.98 109.40 1n62 s PHE 342 Ca 0.03 -0.22 -0.26 0.00 0.12 0.00 0.00 56.93 56.60 1n62 s PHE 342 Cb 0.08 -0.66 0.04 0.00 -0.57 0.00 0.00 43.02 41.91 1n62 s PHE 342 CO 0.77 -0.01 1.22 0.34 -0.10 0.00 0.00 175.22 177.44 1n62 s ASP 343 N -0.43 6.18 -0.21 1.36 2.15 -1.26 -4.55 116.67 119.91 1n62 s ASP 343 Ca 0.04 -0.62 0.14 0.00 0.43 0.00 0.00 52.55 52.53 1n62 s ASP 343 Cb -0.05 -2.53 0.45 0.00 -0.30 0.00 0.00 42.92 40.49 1n62 s ASP 343 CO -0.00 -1.74 1.34 0.00 -0.17 0.00 0.00 175.17 174.61 1n62 n ALA 344 N 8.98 3.40 -2.24 3.66 0.00 -1.26 -4.04 120.51 129.00 1n62 n ALA 344 Ca 0.03 -2.84 -0.43 0.00 0.00 0.00 0.00 53.44 50.20 1n62 n ALA 344 Cb 0.48 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 1n62 n ALA 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n62 s ALA 346 N 4.60 3.51 -0.21 0.00 0.00 -1.26 -3.60 121.76 124.80 1n62 s ALA 346 Ca 0.64 1.40 -0.36 0.00 0.00 0.00 0.00 51.96 53.65 1n62 s ALA 346 Cb -0.23 -3.54 0.14 0.00 0.00 0.00 0.00 23.12 19.50 1n62 s ALA 346 CO 0.25 -0.85 1.27 -0.51 0.00 0.00 0.00 175.76 175.92 1n62 s ASP 347 N -0.36 -0.09 0.60 0.00 1.01 -1.26 -4.58 116.67 111.98 1n62 s ASP 347 Ca 0.51 -0.01 -0.20 0.00 0.71 0.00 0.00 52.55 53.57 1n62 s ASP 347 Cb -0.43 0.10 -0.03 0.00 1.01 0.00 0.00 42.92 43.58 1n62 s ASP 347 CO 0.57 -0.17 1.31 -2.84 0.21 0.00 0.00 175.17 174.25 1n62 s PRO 348 N -2.30 2.87 0.59 8.23 0.02 -1.26 -4.79 135.00 138.36 1n62 s PRO 348 Ca 0.10 2.10 0.35 0.00 0.02 0.00 0.00 61.00 63.57 1n62 s PRO 348 Cb -0.00 -2.04 1.86 0.00 0.02 0.00 0.00 34.50 34.34 1n62 s PRO 348 CO -0.04 -1.36 2.20 0.66 -0.33 0.00 0.00 177.00 178.13 1n62 h SER 349 N 0.99 0.00 -0.13 2.53 4.64 -1.21 -1.22 113.55 119.16 1n62 h SER 349 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1n62 h SER 349 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1n62 h SER 349 CO 0.55 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.84 1n62 n LYS 350 N -3.42 1.87 -3.57 4.77 5.02 -1.26 -4.64 118.16 116.93 1n62 n LYS 350 Ca -0.02 -1.29 -0.27 0.00 -2.02 0.00 0.00 58.31 54.70 1n62 n LYS 350 Cb 0.16 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 1n62 n LYS 350 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1n62 n TRP 351 N 0.53 0.87 0.56 2.13 7.02 -0.46 -4.93 117.44 123.16 1n62 n TRP 351 Ca 0.17 -3.73 0.11 0.00 -1.02 0.00 0.00 57.50 53.03 1n62 n TRP 351 Cb 0.40 -0.14 0.45 0.00 -2.42 0.00 0.00 31.31 29.60 1n62 n TRP 351 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1n62 n PRO 352 N 2.32 0.15 -0.72 -0.99 -0.04 -1.26 -0.88 135.00 133.57 1n62 n PRO 352 Ca 0.26 0.28 -0.01 0.00 -0.04 0.00 0.00 63.50 63.98 1n62 n PRO 352 Cb 0.43 -1.73 0.20 0.00 -0.04 0.00 0.00 33.50 32.37 1n62 n PRO 352 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n62 n ALA 353 N -1.68 4.03 -0.74 0.55 0.00 -1.26 -5.04 120.51 116.36 1n62 n ALA 353 Ca 0.04 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.42 1n62 n ALA 353 Cb 0.28 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1n62 n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n62 n GLY 354 N -1.08 1.92 2.27 0.00 0.00 -0.06 -1.89 105.19 106.36 1n62 n GLY 354 Ca 0.30 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1n62 n GLY 354 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n62 n PHE 355 N 8.44 3.15 0.32 1.61 3.72 0.16 -4.57 117.46 130.28 1n62 n PHE 355 Ca 0.00 -2.84 0.20 0.00 -0.05 0.00 0.00 57.45 54.76 1n62 n PHE 355 Cb 0.00 -1.30 1.07 0.00 -0.94 0.00 0.00 39.48 38.31 1n62 n PHE 355 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1n62 h MET 356 N 1.91 0.00 -0.63 -1.08 1.85 -1.45 -0.71 114.93 114.82 1n62 h MET 356 Ca 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.67 1n62 h MET 356 Cb 1.07 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.10 1n62 h MET 356 CO 1.46 0.00 0.00 0.27 -0.40 0.00 0.00 176.91 178.24 1n62 n ASN 357 N -3.22 0.63 -1.27 1.39 6.94 -1.26 -1.70 115.26 116.78 1n62 n ASN 357 Ca -0.02 -1.57 0.07 0.00 -0.02 0.00 0.00 54.58 53.03 1n62 n ASN 357 Cb 0.16 -0.32 0.27 0.00 -2.36 0.00 0.00 39.78 37.53 1n62 n ASN 357 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n62 n ILE 358 N -0.01 1.40 1.25 1.53 0.13 -0.27 -4.55 119.36 118.83 1n62 n ILE 358 Ca 0.00 -0.88 0.11 0.00 -1.10 0.00 0.00 62.75 60.88 1n62 n ILE 358 Cb 0.16 -0.00 0.62 0.00 -0.84 0.00 0.00 39.64 39.58 1n62 n ILE 358 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1n62 n THR 360 N -1.15 0.14 -4.80 0.00 -2.24 -1.26 -4.28 114.28 100.68 1n62 n THR 360 Ca 0.14 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1n62 n THR 360 Cb 0.13 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1n62 n THR 360 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n62 n GLY 361 N 1.14 1.67 0.62 3.38 0.00 -0.30 -3.21 105.19 108.49 1n62 n GLY 361 Ca 0.10 -0.58 0.04 0.00 0.00 0.00 0.00 46.02 45.58 1n62 n GLY 361 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n62 n SER 362 N -0.20 1.78 -4.50 1.61 7.64 -1.26 -4.83 113.62 113.86 1n62 n SER 362 Ca 0.00 -2.06 -0.31 0.00 1.01 0.00 0.00 58.87 57.51 1n62 n SER 362 Cb 0.00 -0.26 -0.12 0.00 -1.01 0.00 0.00 64.21 62.83 1n62 n SER 362 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1n62 s TYR 363 N -1.62 2.63 -0.52 1.43 2.02 -1.20 -1.22 117.35 118.87 1n62 s TYR 363 Ca 0.20 -0.21 -0.21 0.00 -0.37 0.00 0.00 57.07 56.48 1n62 s TYR 363 Cb 0.11 -1.46 0.05 0.00 -0.40 0.00 0.00 41.96 40.27 1n62 s TYR 363 CO 0.12 0.32 0.74 0.34 -1.57 0.00 0.00 175.55 175.50 1n62 s ASP 364 N -1.69 6.26 0.04 2.29 2.15 0.28 -4.71 116.67 121.28 1n62 s ASP 364 Ca 0.17 -0.73 0.03 0.00 0.43 0.00 0.00 52.55 52.45 1n62 s ASP 364 Cb -0.11 -2.34 -0.02 0.00 -0.30 0.00 0.00 42.92 40.15 1n62 s ASP 364 CO 0.08 -1.02 -0.09 0.00 -0.17 0.00 0.00 175.17 173.97 1n62 s MET 365 N 3.10 0.61 0.39 4.34 0.23 -1.26 -4.83 119.30 121.88 1n62 s MET 365 Ca 0.20 -0.72 0.21 0.00 -1.03 0.00 0.00 55.69 54.35 1n62 s MET 365 Cb -0.17 -0.47 0.27 0.00 -1.53 0.00 0.00 34.83 32.93 1n62 s MET 365 CO 0.14 0.10 1.56 -1.00 -2.03 0.00 0.00 175.02 173.80 1n62 h PRO 366 N 4.70 0.00 -2.38 3.16 0.13 -1.81 -3.41 132.00 132.39 1n62 h PRO 366 Ca -0.36 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.69 1n62 h PRO 366 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 1n62 h PRO 366 CO 0.42 0.16 0.02 0.54 -0.23 0.00 0.00 178.00 178.91 1n62 s VAL 367 N -3.14 0.02 0.26 1.56 0.11 -1.26 -4.87 120.40 113.09 1n62 s VAL 367 Ca 0.06 -0.17 -0.20 0.00 -2.93 0.00 0.00 61.98 58.74 1n62 s VAL 367 Cb 0.06 -0.86 0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1n62 s VAL 367 CO 0.69 -0.09 0.67 0.00 -3.33 0.00 0.00 175.10 173.03 1n62 s ALA 368 N -1.21 -1.11 -0.17 1.54 0.00 -1.26 -2.88 121.76 116.68 1n62 s ALA 368 Ca -0.12 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.40 1n62 s ALA 368 Cb -0.02 0.88 0.05 0.00 0.00 0.00 0.00 23.12 24.03 1n62 s ALA 368 CO 0.08 -0.98 0.43 -1.58 0.00 0.00 0.00 175.76 173.71 1n62 s HIS 369 N -3.91 -0.51 -0.02 0.00 2.46 -0.39 -1.44 115.29 111.47 1n62 s HIS 369 Ca 0.11 1.21 0.04 0.00 0.47 0.00 0.00 55.06 56.89 1n62 s HIS 369 Cb -0.05 0.19 -0.01 0.00 -0.13 0.00 0.00 32.58 32.59 1n62 s HIS 369 CO 0.05 -0.26 -0.15 -1.17 -2.47 0.00 0.00 174.74 170.74 1n62 s LEU 370 N 0.49 1.97 0.01 8.88 2.96 -0.25 -0.95 118.68 131.78 1n62 s LEU 370 Ca -0.02 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1n62 s LEU 370 Cb -0.04 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 1n62 s LEU 370 CO -0.02 0.16 -0.08 0.00 -1.32 0.00 0.00 176.35 175.09 1n62 s ALA 371 N -0.18 0.64 -0.02 5.97 0.00 -0.21 -0.99 121.76 126.97 1n62 s ALA 371 Ca 0.02 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1n62 s ALA 371 Cb -0.08 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1n62 s ALA 371 CO 0.00 0.11 -0.01 0.08 0.00 0.00 0.00 175.76 175.94 1n62 s VAL 372 N -0.55 0.20 -0.13 0.00 1.01 0.86 -0.32 120.40 121.48 1n62 s VAL 372 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1n62 s VAL 372 Cb -0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 36.38 36.07 1n62 s VAL 372 CO 0.00 0.12 -0.19 -1.81 0.00 0.00 0.00 175.10 173.23 1n62 s ASP 373 N 0.68 3.48 0.00 3.32 1.01 0.14 -0.65 116.67 124.64 1n62 s ASP 373 Ca -0.07 -0.49 -0.09 0.00 0.71 0.00 0.00 52.55 52.62 1n62 s ASP 373 Cb -0.10 -1.51 -0.05 0.00 1.01 0.00 0.00 42.92 42.27 1n62 s ASP 373 CO -0.01 0.13 0.31 -0.83 0.21 0.00 0.00 175.17 174.98 1n62 s GLY 374 N 0.55 2.31 0.04 0.21 0.00 -0.28 -0.32 107.32 109.84 1n62 s GLY 374 Ca -0.11 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.18 1n62 s GLY 374 CO 0.04 -0.22 -0.11 -1.34 0.00 0.00 0.00 173.10 171.47 1n62 s VAL 375 N -1.24 0.82 0.24 1.40 -7.23 0.01 -0.06 120.40 114.34 1n62 s VAL 375 Ca 0.26 -1.02 -0.26 0.00 -1.81 0.00 0.00 61.98 59.15 1n62 s VAL 375 Cb -0.14 -0.80 -0.09 0.00 0.56 0.00 0.00 36.38 35.91 1n62 s VAL 375 CO 0.14 -0.19 0.87 -0.31 -0.31 0.00 0.00 175.10 175.31 1n62 s TYR 376 N -1.08 3.85 0.22 2.82 2.02 0.05 -1.32 117.35 123.91 1n62 s TYR 376 Ca -0.04 1.74 -0.00 0.00 -0.37 0.00 0.00 57.07 58.41 1n62 s TYR 376 Cb -0.09 -2.86 -0.04 0.00 -0.40 0.00 0.00 41.96 38.57 1n62 s TYR 376 CO 0.01 0.39 0.14 0.95 -1.57 0.00 0.00 175.55 175.47 1n62 s THR 377 N -1.33 0.02 -1.41 -0.71 -4.23 -0.75 -4.90 115.64 102.32 1n62 s THR 377 Ca 0.42 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 1n62 s THR 377 Cb -0.22 -2.51 0.08 0.00 1.34 0.00 0.00 72.50 71.19 1n62 s THR 377 CO 0.27 0.00 2.16 0.59 -0.54 0.00 0.00 174.62 177.10 1n62 n ASN 378 N -0.41 4.61 -3.98 3.99 5.03 0.33 -0.99 115.26 123.85 1n62 n ASN 378 Ca 0.02 -2.92 -0.09 0.00 0.87 0.00 0.00 54.58 52.46 1n62 n ASN 378 Cb 0.66 -1.59 -0.08 0.00 -1.02 0.00 0.00 39.78 37.75 1n62 n ASN 378 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1n62 s LYS 379 N 2.14 1.00 0.70 3.52 1.02 -1.24 -4.58 119.74 122.32 1n62 s LYS 379 Ca 0.46 -1.17 -0.16 0.00 0.02 0.00 0.00 55.97 55.12 1n62 s LYS 379 Cb 0.13 0.33 0.01 0.00 -0.52 0.00 0.00 37.83 37.78 1n62 s LYS 379 CO -0.06 -0.34 1.08 0.00 -0.92 0.00 0.00 175.35 175.12 1n62 n ALA 380 N -0.13 0.20 -1.94 5.17 0.00 -1.26 -0.76 120.51 121.78 1n62 n ALA 380 Ca -0.09 -0.14 -0.25 0.00 0.00 0.00 0.00 53.44 52.96 1n62 n ALA 380 Cb 0.63 -2.19 0.07 0.00 0.00 0.00 0.00 19.45 17.96 1n62 n ALA 380 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n62 s SER 381 N -1.59 4.80 0.00 0.00 1.04 -1.26 -4.08 113.70 112.61 1n62 s SER 381 Ca 0.76 0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1n62 s SER 381 Cb -0.35 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 64.77 1n62 s SER 381 CO 0.47 -1.58 0.00 0.61 0.98 0.00 0.00 173.24 173.72 1n62 n GLY 382 N -2.86 0.53 0.00 7.32 0.00 -1.26 -2.53 105.19 106.39 1n62 n GLY 382 Ca 0.09 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1n62 n GLY 382 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n62 n GLY 383 N 0.00 3.17 3.52 -0.02 0.00 0.68 -3.67 105.19 108.87 1n62 n GLY 383 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1n62 n GLY 383 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n62 s VAL 384 N 0.00 5.09 0.00 1.61 1.01 -1.26 -1.97 120.40 124.88 1n62 s VAL 384 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1n62 s VAL 384 Cb 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1n62 s VAL 384 CO 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 175.10 174.82 1n62 n ALA 385 N 5.58 0.00 -2.80 5.51 0.00 -1.26 -4.48 120.51 123.06 1n62 n ALA 385 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1n62 n ALA 385 Cb 0.48 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.99 1n62 n ALA 385 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1n62 n TYR 386 N -0.08 -1.74 -3.65 0.00 9.36 0.13 -3.23 117.16 117.94 1n62 n TYR 386 Ca 0.00 0.63 -0.27 0.00 3.32 0.00 0.00 57.90 61.58 1n62 n TYR 386 Cb 0.00 -3.76 0.04 0.00 -0.63 0.00 0.00 39.34 34.99 1n62 n TYR 386 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1n62 n ARG 387 N -2.83 -6.05 0.12 2.98 1.74 -1.25 -4.89 116.66 106.48 1n62 n ARG 387 Ca -0.08 0.70 0.09 0.00 -0.77 0.00 0.00 57.85 57.79 1n62 n ARG 387 Cb 0.59 -5.63 0.02 0.00 -1.02 0.00 0.00 32.46 26.42 1n62 n ARG 387 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n62 n SER 389 N -2.84 -5.12 -1.92 0.00 7.64 -1.26 0.28 113.62 110.40 1n62 n SER 389 Ca -0.01 0.27 -0.01 0.00 1.01 0.00 0.00 58.87 60.13 1n62 n SER 389 Cb 0.61 -4.18 0.01 0.00 -1.01 0.00 0.00 64.21 59.64 1n62 n SER 389 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1n62 n PHE 390 N -3.06 -0.73 -1.17 1.43 3.72 -1.26 -4.31 117.46 112.07 1n62 n PHE 390 Ca -0.19 0.27 -0.06 0.00 -0.05 0.00 0.00 57.45 57.43 1n62 n PHE 390 Cb 0.61 -2.40 -0.03 0.00 -0.94 0.00 0.00 39.48 36.72 1n62 n PHE 390 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1n62 n ARG 391 N -1.43 -0.88 0.09 -1.08 5.12 -1.02 0.36 116.66 117.82 1n62 n ARG 391 Ca -0.01 0.60 -0.07 0.00 -1.93 0.00 0.00 57.85 56.45 1n62 n ARG 391 Cb 0.51 -4.48 0.02 0.00 -1.16 0.00 0.00 32.46 27.36 1n62 n ARG 391 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1n62 h VAL 392 N 0.00 1.50 -0.55 1.55 2.07 -0.36 -1.13 116.25 119.33 1n62 h VAL 392 Ca -0.12 -2.55 0.11 0.00 0.82 0.00 0.00 66.70 64.96 1n62 h VAL 392 Cb 0.62 2.40 -0.10 0.00 -1.52 0.00 0.00 31.29 32.69 1n62 h VAL 392 CO 0.18 0.74 -0.10 0.71 0.02 0.00 0.00 177.57 179.12 1n62 h THR 393 N 0.09 0.48 -0.37 2.57 1.35 -1.73 0.68 112.91 115.97 1n62 h THR 393 Ca -0.03 -0.01 -0.07 0.00 -0.55 0.00 0.00 66.41 65.75 1n62 h THR 393 Cb 1.42 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 1n62 h THR 393 CO 0.12 0.01 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.01 1n62 h GLU 394 N 0.03 0.69 -0.40 4.72 3.07 -1.79 -0.57 114.58 120.33 1n62 h GLU 394 Ca 0.27 -0.25 0.04 0.00 -0.50 0.00 0.00 59.36 58.92 1n62 h GLU 394 Cb 0.42 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 1n62 h GLU 394 CO -0.54 0.83 0.18 0.00 -1.40 0.00 0.00 179.01 178.08 1n62 h ALA 395 N 0.84 0.49 -0.33 3.43 0.00 -0.72 0.08 119.26 123.06 1n62 h ALA 395 Ca 0.10 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1n62 h ALA 395 Cb 0.55 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1n62 h ALA 395 CO 0.03 -0.19 -0.40 0.28 0.00 0.00 0.00 179.25 178.97 1n62 h VAL 396 N 0.37 1.28 -0.60 0.00 2.07 -0.78 -1.95 116.25 116.64 1n62 h VAL 396 Ca 0.18 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 1n62 h VAL 396 Cb 0.11 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1n62 h VAL 396 CO -0.15 0.52 0.24 0.22 0.02 0.00 0.00 177.57 178.43 1n62 h TYR 397 N 0.67 0.92 -0.05 1.57 3.20 -0.83 0.98 116.97 123.42 1n62 h TYR 397 Ca 0.05 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.87 1n62 h TYR 397 Cb 0.97 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1n62 h TYR 397 CO 0.06 0.73 -0.08 0.00 -1.64 0.00 0.00 178.16 177.23 1n62 h ALA 398 N 1.09 -0.04 -0.15 1.82 0.00 -0.69 -0.42 119.26 120.88 1n62 h ALA 398 Ca 0.20 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1n62 h ALA 398 Cb 0.20 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1n62 h ALA 398 CO -0.02 -0.55 -0.58 0.97 0.00 0.00 0.00 179.25 179.07 1n62 h ILE 399 N -0.11 1.32 -0.05 0.00 6.09 -1.19 -0.19 117.51 123.38 1n62 h ILE 399 Ca 0.05 -1.84 -0.13 0.00 -1.37 0.00 0.00 64.86 61.57 1n62 h ILE 399 Cb 0.18 2.03 -0.01 0.00 0.47 0.00 0.00 36.82 39.48 1n62 h ILE 399 CO -0.12 0.57 -0.55 -0.33 -3.07 0.00 0.00 178.15 174.65 1n62 h GLU 400 N 0.33 0.15 -0.28 2.19 4.39 -0.74 0.19 114.58 120.82 1n62 h GLU 400 Ca -0.03 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 1n62 h GLU 400 Cb 1.22 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1n62 h GLU 400 CO 0.12 0.66 -0.05 0.00 -1.16 0.00 0.00 179.01 178.58 1n62 h ARG 401 N 0.12 0.54 -0.26 2.33 2.47 -1.11 -3.03 114.38 115.44 1n62 h ARG 401 Ca -0.00 -0.20 -0.04 0.00 -1.26 0.00 0.00 59.98 58.48 1n62 h ARG 401 Cb 1.01 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.28 1n62 h ARG 401 CO 0.08 0.73 -0.00 0.00 0.56 0.00 0.00 179.97 181.34 1n62 h ALA 402 N 0.79 1.52 -0.50 0.04 0.00 -0.36 -0.12 119.26 120.64 1n62 h ALA 402 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1n62 h ALA 402 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1n62 h ALA 402 CO 0.02 0.35 0.33 0.82 0.00 0.00 0.00 179.25 180.77 1n62 h ILE 403 N 0.37 1.13 -0.30 0.00 1.08 -0.66 0.92 117.51 120.05 1n62 h ILE 403 Ca 0.08 -0.24 -0.04 0.00 -0.39 0.00 0.00 64.86 64.27 1n62 h ILE 403 Cb 0.25 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 1n62 h ILE 403 CO 0.01 0.13 0.03 -0.33 -0.69 0.00 0.00 178.15 177.30 1n62 h GLU 404 N 0.67 0.51 -0.04 2.37 4.39 -1.14 0.24 114.58 121.59 1n62 h GLU 404 Ca 0.18 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 1n62 h GLU 404 Cb -0.07 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1n62 h GLU 404 CO -0.04 0.63 -0.49 1.79 -1.16 0.00 0.00 179.01 179.74 1n62 h THR 405 N 0.33 1.35 -0.25 1.13 1.35 -0.79 -1.30 112.91 114.72 1n62 h THR 405 Ca 0.09 -1.70 -0.03 0.00 -0.55 0.00 0.00 66.41 64.22 1n62 h THR 405 Cb 0.38 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 1n62 h THR 405 CO 0.01 0.49 0.04 0.25 -0.25 0.00 0.00 175.52 176.06 1n62 h LEU 406 N 0.09 0.40 -0.87 3.87 5.85 -0.71 -1.94 115.31 122.00 1n62 h LEU 406 Ca 0.00 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.52 1n62 h LEU 406 Cb 0.90 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1n62 h LEU 406 CO 0.07 0.57 0.55 0.00 -0.34 0.00 0.00 178.44 179.28 1n62 h ALA 407 N 0.85 1.19 0.10 1.25 0.00 -0.67 0.17 119.26 122.16 1n62 h ALA 407 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1n62 h ALA 407 Cb 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n62 h ALA 407 CO 0.01 0.32 -0.08 1.96 0.00 0.00 0.00 179.25 181.46 1n62 h GLN 408 N 1.01 -0.18 -0.77 0.00 4.20 -1.11 0.70 115.11 118.96 1n62 h GLN 408 Ca 0.37 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.13 1n62 h GLN 408 Cb 0.14 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1n62 h GLN 408 CO -0.16 -0.12 0.51 0.00 -0.67 0.00 0.00 178.83 178.39 1n62 h ARG 409 N -0.19 0.94 0.00 1.46 3.08 -0.48 -1.60 114.38 117.59 1n62 h ARG 409 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1n62 h ARG 409 Cb 0.17 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1n62 h ARG 409 CO -0.01 0.62 0.00 1.28 -1.07 0.00 0.00 179.97 180.79 1n62 n LEU 410 N -4.44 0.02 -3.66 3.04 4.77 0.50 -4.92 117.00 112.30 1n62 n LEU 410 Ca 0.10 0.50 -0.21 0.00 -0.03 0.00 0.00 56.01 56.37 1n62 n LEU 410 Cb 0.10 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.74 1n62 n LEU 410 CO 0.35 -0.06 -0.00 -0.62 -1.33 0.00 0.00 177.39 175.73 1n62 n GLU 411 N -1.52 -5.44 -4.31 3.23 1.02 0.06 -5.00 120.64 108.69 1n62 n GLU 411 Ca 0.06 0.67 -0.24 0.00 -0.02 0.00 0.00 57.16 57.64 1n62 n GLU 411 Cb 0.30 -5.38 -0.12 0.00 -0.02 0.00 0.00 31.44 26.23 1n62 n GLU 411 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1n62 s MET 412 N -5.92 1.18 0.13 3.49 1.75 -0.18 -5.04 119.30 114.72 1n62 s MET 412 Ca 0.08 -1.23 -0.31 0.00 -1.25 0.00 0.00 55.69 52.98 1n62 s MET 412 Cb -0.04 -1.43 -0.09 0.00 2.84 0.00 0.00 34.83 36.11 1n62 s MET 412 CO 0.79 0.33 1.47 0.34 -0.65 0.00 0.00 175.02 177.30 1n62 s ASP 413 N -2.07 6.72 0.52 1.11 -1.08 -1.26 -4.40 116.67 116.22 1n62 s ASP 413 Ca 0.09 2.44 0.30 0.00 -0.52 0.00 0.00 52.55 54.86 1n62 s ASP 413 Cb -0.09 -2.59 1.10 0.00 -1.46 0.00 0.00 42.92 39.88 1n62 s ASP 413 CO 0.05 -0.73 1.89 0.77 0.52 0.00 0.00 175.17 177.66 1n62 h SER 414 N 6.91 0.00 -0.30 -0.34 4.64 -1.92 -0.43 113.55 122.11 1n62 h SER 414 Ca -0.42 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.82 1n62 h SER 414 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1n62 h SER 414 CO 0.89 0.02 -0.11 0.00 -0.87 0.00 0.00 176.83 176.76 1n62 h ALA 415 N 1.98 0.42 -0.58 5.18 0.00 -1.98 -1.67 119.26 122.61 1n62 h ALA 415 Ca -0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1n62 h ALA 415 Cb 0.65 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1n62 h ALA 415 CO 0.00 0.28 0.11 -0.44 0.00 0.00 0.00 179.25 179.21 1n62 h ASP 416 N 0.37 0.87 -0.57 0.00 3.32 -1.74 -0.11 116.42 118.57 1n62 h ASP 416 Ca 0.07 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1n62 h ASP 416 Cb 0.61 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1n62 h ASP 416 CO 0.04 0.87 0.27 0.25 -1.72 0.00 0.00 179.24 178.95 1n62 h LEU 417 N 0.88 0.74 0.02 1.55 5.85 -0.98 -0.37 115.31 123.01 1n62 h LEU 417 Ca 0.18 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1n62 h LEU 417 Cb 0.36 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1n62 h LEU 417 CO 0.00 0.66 -0.01 0.03 -0.34 0.00 0.00 178.44 178.79 1n62 h ARG 418 N 0.77 -0.03 -0.70 1.25 3.08 -0.76 -2.75 114.38 115.24 1n62 h ARG 418 Ca 0.20 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.30 1n62 h ARG 418 Cb 0.12 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1n62 h ARG 418 CO -0.02 0.05 0.46 0.82 -1.07 0.00 0.00 179.97 180.21 1n62 h ILE 419 N -0.11 1.06 0.00 2.04 2.04 -0.69 0.11 117.51 121.96 1n62 h ILE 419 Ca -0.00 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1n62 h ILE 419 Cb 0.10 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1n62 h ILE 419 CO 0.01 0.14 -0.14 0.50 0.00 0.00 0.00 178.15 178.66 1n62 h LYS 420 N 0.78 0.00 -0.01 2.37 3.64 -0.86 -3.24 116.57 119.25 1n62 h LYS 420 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1n62 h LYS 420 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1n62 h LYS 420 CO -0.09 0.14 -0.04 0.09 -2.27 0.00 0.00 179.45 177.28 1n62 n ASN 421 N -3.59 1.25 -4.70 4.20 3.02 -0.00 -4.97 115.26 110.47 1n62 n ASN 421 Ca -0.01 -1.12 -0.40 0.00 -0.03 0.00 0.00 54.58 53.01 1n62 n ASN 421 Cb 0.27 0.18 0.02 0.00 -0.61 0.00 0.00 39.78 39.65 1n62 n ASN 421 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1n62 n PHE 422 N 0.06 2.05 -1.73 3.10 3.72 0.18 -0.56 117.46 124.28 1n62 n PHE 422 Ca 0.03 0.47 -0.42 0.00 -0.05 0.00 0.00 57.45 57.48 1n62 n PHE 422 Cb 0.13 -2.35 -0.02 0.00 -0.94 0.00 0.00 39.48 36.30 1n62 n PHE 422 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1n62 n ILE 423 N -0.58 0.56 -3.36 4.37 5.41 -0.36 -4.53 119.36 120.87 1n62 n ILE 423 Ca 0.08 -0.14 -0.26 0.00 1.00 0.00 0.00 62.75 63.43 1n62 n ILE 423 Cb 0.42 -1.94 -0.02 0.00 -0.71 0.00 0.00 39.64 37.39 1n62 n ILE 423 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1n62 s GLN 424 N 0.23 3.56 0.41 0.38 -1.52 -1.26 -4.54 119.66 116.92 1n62 s GLN 424 Ca 0.69 -0.16 0.08 0.00 -1.95 0.00 0.00 55.36 54.03 1n62 s GLN 424 Cb -0.51 -2.66 0.88 0.00 -0.22 0.00 0.00 33.01 30.50 1n62 s GLN 424 CO 0.41 0.19 2.03 -1.35 -0.25 0.00 0.00 175.29 176.32 1n62 h PRO 425 N 1.28 0.53 0.00 2.91 0.11 -1.94 0.69 132.00 135.57 1n62 h PRO 425 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1n62 h PRO 425 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1n62 h PRO 425 CO 0.64 0.35 0.00 -0.85 -0.21 0.00 0.00 178.00 177.93 1n62 n GLU 426 N -4.47 0.15 0.00 1.05 0.00 -1.26 -2.77 120.64 113.34 1n62 n GLU 426 Ca 0.05 0.29 0.14 0.00 0.00 0.00 0.00 57.16 57.65 1n62 n GLU 426 Cb 0.15 -1.74 0.67 0.00 0.00 0.00 0.00 31.44 30.52 1n62 n GLU 426 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1n62 n GLN 427 N -2.02 0.45 -3.20 3.44 6.02 0.23 -4.86 117.38 117.44 1n62 n GLN 427 Ca 0.04 -0.08 -0.33 0.00 -0.01 0.00 0.00 57.00 56.62 1n62 n GLN 427 Cb 0.28 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 1n62 n GLN 427 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1n62 s PHE 428 N -2.60 3.42 0.30 1.08 0.40 -1.11 -3.10 117.98 116.36 1n62 s PHE 428 Ca 0.26 1.15 -0.29 0.00 -0.60 0.00 0.00 56.93 57.45 1n62 s PHE 428 Cb 0.20 -2.48 -0.10 0.00 0.51 0.00 0.00 43.02 41.15 1n62 s PHE 428 CO 0.48 0.17 1.43 -2.14 0.70 0.00 0.00 175.22 175.87 1n62 s PRO 429 N -2.81 4.24 -0.19 0.24 0.02 -1.26 -4.99 135.00 130.25 1n62 s PRO 429 Ca 0.51 2.36 -0.02 0.00 0.02 0.00 0.00 61.00 63.87 1n62 s PRO 429 Cb -0.11 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1n62 s PRO 429 CO 0.19 -0.41 -0.11 -0.47 -0.33 0.00 0.00 177.00 175.87 1n62 s TYR 430 N -0.47 2.87 -0.41 6.54 5.04 -0.56 -4.88 117.35 125.48 1n62 s TYR 430 Ca 0.56 -1.16 -0.27 0.00 -2.44 0.00 0.00 57.07 53.76 1n62 s TYR 430 Cb -0.43 -2.01 0.02 0.00 0.35 0.00 0.00 41.96 39.90 1n62 s TYR 430 CO 0.50 -0.61 0.98 1.41 -1.34 0.00 0.00 175.55 176.49 1n62 s MET 431 N 1.28 3.74 0.56 4.97 -2.45 -1.26 -0.46 119.30 125.68 1n62 s MET 431 Ca 0.03 0.49 -0.10 0.00 -1.25 0.00 0.00 55.69 54.86 1n62 s MET 431 Cb -0.14 -3.85 -0.05 0.00 1.25 0.00 0.00 34.83 32.04 1n62 s MET 431 CO -0.06 -1.11 0.94 0.00 1.05 0.00 0.00 175.02 175.85 1n62 s ALA 432 N 3.76 3.19 -1.74 4.11 0.00 0.06 -4.95 121.76 126.19 1n62 s ALA 432 Ca 0.40 -0.17 0.24 0.00 0.00 0.00 0.00 51.96 52.43 1n62 s ALA 432 Cb -0.10 -2.93 1.34 0.00 0.00 0.00 0.00 23.12 21.42 1n62 s ALA 432 CO 0.23 -0.50 1.80 -0.35 0.00 0.00 0.00 175.76 176.95 1n62 n PRO 433 N -2.37 0.57 -0.33 0.00 -0.04 -1.26 -1.48 135.00 130.08 1n62 n PRO 433 Ca 0.04 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 1n62 n PRO 433 Cb 0.54 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.72 1n62 n PRO 433 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n62 n LEU 434 N -1.13 3.48 0.00 1.53 4.77 -1.26 -4.38 117.00 120.01 1n62 n LEU 434 Ca 0.15 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.55 1n62 n LEU 434 Cb 0.13 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1n62 n LEU 434 CO 0.16 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1n62 n GLY 435 N -0.08 0.62 3.82 -0.72 0.00 -0.55 -4.79 105.19 103.49 1n62 n GLY 435 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1n62 n GLY 435 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n62 s TRP 436 N -2.00 3.79 -0.47 1.61 0.52 -1.26 -4.84 118.94 116.29 1n62 s TRP 436 Ca 0.00 1.20 -0.15 0.00 0.02 0.00 0.00 56.10 57.17 1n62 s TRP 436 Cb 0.00 -2.44 0.07 0.00 -1.15 0.00 0.00 33.47 29.95 1n62 s TRP 436 CO 0.00 0.60 0.38 -2.00 0.02 0.00 0.00 176.95 175.96 1n62 s GLU 437 N -1.11 2.95 0.30 4.98 2.12 -1.26 -0.76 118.70 125.92 1n62 s GLU 437 Ca 0.28 -1.36 -0.29 0.00 0.36 0.00 0.00 54.97 53.96 1n62 s GLU 437 Cb -0.19 -4.10 -0.10 0.00 0.26 0.00 0.00 34.13 30.00 1n62 s GLU 437 CO 0.18 -1.02 1.19 0.71 -0.54 0.00 0.00 175.26 175.77 1n62 s TYR 438 N 1.62 3.35 -0.07 5.30 1.51 0.40 -4.78 117.35 124.68 1n62 s TYR 438 Ca 0.04 1.58 -0.22 0.00 -1.01 0.00 0.00 57.07 57.46 1n62 s TYR 438 Cb -0.24 -3.45 -0.30 0.00 -0.11 0.00 0.00 41.96 37.86 1n62 s TYR 438 CO 0.06 -1.11 0.82 0.38 -1.11 0.00 0.00 175.55 174.59 1n62 h ASP 439 N 3.62 0.40 -4.55 2.29 2.03 -1.87 -1.49 116.42 116.84 1n62 h ASP 439 Ca -0.48 -0.93 0.07 0.00 -0.73 0.00 0.00 57.03 54.96 1n62 h ASP 439 Cb 1.22 -0.13 -0.18 0.00 -0.83 0.00 0.00 39.33 39.41 1n62 h ASP 439 CO 0.66 1.39 0.46 -0.94 -1.03 0.00 0.00 179.24 179.78 1n62 s SER 440 N -6.91 -0.41 -0.27 4.15 1.04 -1.26 -4.09 113.70 105.95 1n62 s SER 440 Ca -0.15 0.20 -0.27 0.00 0.48 0.00 0.00 55.95 56.21 1n62 s SER 440 Cb 0.01 0.39 0.17 0.00 0.10 0.00 0.00 66.02 66.69 1n62 s SER 440 CO 0.80 -0.56 1.26 -0.83 0.98 0.00 0.00 173.24 174.90 1n62 s GLY 441 N -1.95 0.09 -0.54 7.32 0.00 -1.26 -4.84 107.32 106.15 1n62 s GLY 441 Ca 0.01 2.98 0.04 0.00 0.00 0.00 0.00 44.72 47.75 1n62 s GLY 441 CO -0.04 1.63 0.38 0.21 0.00 0.00 0.00 173.10 175.27 1n62 s ASN 442 N -0.28 3.39 0.07 1.64 3.04 -1.26 -4.00 114.94 117.53 1n62 s ASN 442 Ca 0.05 -3.28 -0.15 0.00 0.04 0.00 0.00 52.86 49.52 1n62 s ASN 442 Cb -0.04 -1.08 -0.19 0.00 -1.54 0.00 0.00 41.25 38.40 1n62 s ASN 442 CO -0.09 -0.16 1.23 1.88 -3.04 0.00 0.00 177.10 176.92 1n62 h TYR 443 N 5.82 0.95 -0.53 0.43 0.05 -1.94 -3.01 116.97 118.73 1n62 h TYR 443 Ca 0.15 -0.46 -0.04 0.00 0.05 0.00 0.00 58.73 58.43 1n62 h TYR 443 Cb 0.85 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 1n62 h TYR 443 CO 0.49 1.28 0.15 -1.35 -1.05 0.00 0.00 178.16 177.69 1n62 h PRO 444 N 0.34 0.79 -0.42 4.88 0.11 -1.93 -0.04 132.00 135.73 1n62 h PRO 444 Ca -0.08 -0.14 -0.06 0.00 0.11 0.00 0.00 66.00 65.83 1n62 h PRO 444 Cb 1.44 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 1n62 h PRO 444 CO 0.16 0.69 0.01 1.25 -0.21 0.00 0.00 178.00 179.90 1n62 h LEU 445 N 0.77 0.72 -0.28 2.35 5.85 -1.99 -0.40 115.31 122.33 1n62 h LEU 445 Ca 0.18 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 1n62 h LEU 445 Cb 0.24 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1n62 h LEU 445 CO -0.01 0.84 -0.26 0.00 -0.34 0.00 0.00 178.44 178.68 1n62 h ALA 446 N 0.90 0.41 -0.76 1.25 0.00 -1.33 -0.35 119.26 119.38 1n62 h ALA 446 Ca 0.12 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1n62 h ALA 446 Cb 0.47 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1n62 h ALA 446 CO 0.02 0.39 0.49 1.98 0.00 0.00 0.00 179.25 182.13 1n62 h MET 447 N 0.40 0.95 -0.57 0.00 1.85 -0.91 -0.51 114.93 116.13 1n62 h MET 447 Ca 0.05 -0.06 -0.06 0.00 -0.61 0.00 0.00 59.70 59.02 1n62 h MET 447 Cb 0.82 -0.21 -0.02 0.00 0.43 0.00 0.00 31.60 32.61 1n62 h MET 447 CO 0.07 0.63 0.14 -0.22 -0.40 0.00 0.00 176.91 177.12 1n62 h LYS 448 N 0.98 0.91 -0.65 0.39 1.63 -0.84 0.14 116.57 119.13 1n62 h LYS 448 Ca 0.29 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1n62 h LYS 448 Cb -0.04 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.44 1n62 h LYS 448 CO -0.09 0.85 0.32 -0.22 -3.45 0.00 0.00 179.45 176.86 1n62 h LYS 449 N 0.82 0.93 -0.08 1.90 3.64 -0.61 0.29 116.57 123.45 1n62 h LYS 449 Ca 0.18 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1n62 h LYS 449 Cb 0.35 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1n62 h LYS 449 CO 0.00 0.74 0.03 0.00 -2.27 0.00 0.00 179.45 177.95 1n62 h ALA 450 N 1.15 0.11 -0.81 5.00 0.00 -0.87 0.75 119.26 124.59 1n62 h ALA 450 Ca 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1n62 h ALA 450 Cb 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1n62 h ALA 450 CO -0.03 -0.30 0.37 0.52 0.00 0.00 0.00 179.25 179.80 1n62 h MET 451 N -0.02 1.17 -0.57 0.00 2.86 -0.52 -1.24 114.93 116.61 1n62 h MET 451 Ca 0.03 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 1n62 h MET 451 Cb 0.17 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1n62 h MET 451 CO -0.00 0.92 0.10 -0.44 1.06 0.00 0.00 176.91 178.55 1n62 h ASP 452 N 1.16 0.89 -0.37 1.22 3.32 -0.26 -0.23 116.42 122.15 1n62 h ASP 452 Ca 0.28 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1n62 h ASP 452 Cb 0.15 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1n62 h ASP 452 CO -0.03 0.92 0.10 0.74 -1.72 0.00 0.00 179.24 179.25 1n62 h THR 453 N 0.83 1.22 -0.00 0.35 2.02 -0.23 -2.68 112.91 114.42 1n62 h THR 453 Ca 0.17 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1n62 h THR 453 Cb 0.40 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1n62 h THR 453 CO 0.01 0.26 -0.24 1.33 0.37 0.00 0.00 175.52 177.25 1n62 n VAL 454 N -4.60 0.00 -2.97 3.16 0.24 -0.52 -4.94 118.33 108.70 1n62 n VAL 454 Ca -0.01 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.34 62.14 1n62 n VAL 454 Cb 0.19 -0.01 0.06 0.00 -1.47 0.00 0.00 33.84 32.62 1n62 n VAL 454 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n62 n GLY 455 N 1.41 -0.27 0.12 7.63 0.00 -0.30 -4.74 105.19 109.05 1n62 n GLY 455 Ca 0.09 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1n62 n GLY 455 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n62 h TYR 456 N -1.22 -0.12 -0.92 1.61 3.20 -1.40 0.42 116.97 118.54 1n62 h TYR 456 Ca -0.43 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.49 1n62 h TYR 456 Cb 1.24 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.55 1n62 h TYR 456 CO 0.29 -0.10 0.60 1.25 -1.64 0.00 0.00 178.16 178.56 1n62 h HIS 457 N 0.00 1.13 -0.14 -3.82 2.76 -1.91 -0.14 115.15 113.02 1n62 h HIS 457 Ca 0.12 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.21 1n62 h HIS 457 Cb 0.17 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 1n62 h HIS 457 CO -0.24 0.67 -0.37 1.96 -1.30 0.00 0.00 177.93 178.65 1n62 h GLN 458 N 1.18 0.31 -0.50 5.26 7.50 -1.72 -1.88 115.11 125.26 1n62 h GLN 458 Ca 0.36 -0.14 -0.12 0.00 0.50 0.00 0.00 58.65 59.26 1n62 h GLN 458 Cb -0.03 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.47 1n62 h GLN 458 CO -0.11 0.64 -0.15 -0.07 -1.50 0.00 0.00 178.83 177.64 1n62 h LEU 459 N 0.26 0.97 -0.88 1.46 3.38 0.27 0.11 115.31 120.88 1n62 h LEU 459 Ca 0.03 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1n62 h LEU 459 Cb 0.77 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1n62 h LEU 459 CO 0.06 1.10 0.27 0.03 0.09 0.00 0.00 178.44 179.99 1n62 h ARG 460 N 0.85 1.09 -0.29 1.13 2.47 -0.70 0.28 114.38 119.21 1n62 h ARG 460 Ca 0.13 -0.20 -0.12 0.00 -1.26 0.00 0.00 59.98 58.52 1n62 h ARG 460 Cb 0.70 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1n62 h ARG 460 CO 0.05 0.90 -0.33 0.00 0.56 0.00 0.00 179.97 181.16 1n62 h ALA 461 N 1.23 0.88 -0.53 0.04 0.00 -0.77 -0.16 119.26 119.94 1n62 h ALA 461 Ca 0.24 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1n62 h ALA 461 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1n62 h ALA 461 CO -0.02 0.63 0.10 1.49 0.00 0.00 0.00 179.25 181.45 1n62 h GLU 462 N 0.54 0.86 -0.29 0.00 4.81 -0.34 -0.76 114.58 119.39 1n62 h GLU 462 Ca 0.06 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1n62 h GLU 462 Cb 0.82 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1n62 h GLU 462 CO 0.07 0.83 0.16 0.37 -0.73 0.00 0.00 179.01 179.72 1n62 h GLN 463 N 0.75 0.41 -0.45 1.92 4.15 -0.21 0.12 115.11 121.80 1n62 h GLN 463 Ca 0.16 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.56 1n62 h GLN 463 Cb 0.38 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1n62 h GLN 463 CO 0.01 0.35 0.26 -0.22 -1.93 0.00 0.00 178.83 177.29 1n62 h LYS 464 N 0.36 0.50 -0.89 1.69 3.64 -0.77 0.12 116.57 121.22 1n62 h LYS 464 Ca 0.10 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1n62 h LYS 464 Cb 0.05 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1n62 h LYS 464 CO -0.02 0.33 0.54 0.00 -2.27 0.00 0.00 179.45 178.03 1n62 h ALA 465 N 1.21 1.27 -0.11 5.00 0.00 -0.72 -0.62 119.26 125.28 1n62 h ALA 465 Ca 0.18 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1n62 h ALA 465 Cb 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1n62 h ALA 465 CO -0.10 0.63 -0.49 -0.22 0.00 0.00 0.00 179.25 179.07 1n62 h LYS 466 N 1.23 0.28 -0.46 0.00 3.64 0.10 0.44 116.57 121.80 1n62 h LYS 466 Ca 0.32 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 1n62 h LYS 466 Cb -0.06 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1n62 h LYS 466 CO -0.06 0.72 -0.17 1.96 -2.27 0.00 0.00 179.45 179.63 1n62 h GLN 467 N 0.23 0.93 -0.76 1.90 4.20 -0.39 0.37 115.11 121.59 1n62 h GLN 467 Ca 0.01 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.30 1n62 h GLN 467 Cb 0.96 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 1n62 h GLN 467 CO 0.08 1.04 0.32 0.93 -0.67 0.00 0.00 178.83 180.53 1n62 h GLU 468 N 0.77 1.13 -0.55 1.46 5.08 -0.80 -0.39 114.58 121.29 1n62 h GLU 468 Ca 0.11 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1n62 h GLU 468 Cb 0.73 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1n62 h GLU 468 CO 0.06 0.92 0.25 0.00 -1.00 0.00 0.00 179.01 179.23 1n62 h ALA 469 N 1.16 1.41 -0.18 3.43 0.00 -0.42 0.42 119.26 125.08 1n62 h ALA 469 Ca 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1n62 h ALA 469 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1n62 h ALA 469 CO -0.02 0.46 0.06 0.35 0.00 0.00 0.00 179.25 180.10 1n62 h PHE 470 N 0.77 0.29 0.00 0.00 3.57 -0.23 0.12 116.94 121.46 1n62 h PHE 470 Ca 0.19 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1n62 h PHE 470 Cb 0.11 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1n62 h PHE 470 CO 0.01 0.37 -0.15 0.87 -2.23 0.00 0.00 178.31 177.18 1n62 h LYS 471 N 0.12 0.00 0.00 1.11 1.79 -0.68 -1.51 116.57 117.41 1n62 h LYS 471 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1n62 h LYS 471 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1n62 h LYS 471 CO -0.00 0.15 -0.11 0.54 -1.08 0.00 0.00 179.45 178.95 1n62 n ARG 472 N -3.48 0.04 -1.26 3.15 1.74 0.10 -4.90 116.66 112.04 1n62 n ARG 472 Ca -0.01 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1n62 n ARG 472 Cb 0.32 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1n62 n ARG 472 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n62 n GLY 473 N 1.48 0.77 0.00 -0.13 0.00 -0.57 -4.96 105.19 101.78 1n62 n GLY 473 Ca 0.06 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.52 1n62 n GLY 473 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n62 n GLU 474 N -1.40 0.14 -3.69 1.61 1.02 0.31 -4.94 120.64 113.69 1n62 n GLU 474 Ca 0.00 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 56.99 1n62 n GLU 474 Cb 0.27 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 1n62 n GLU 474 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1n62 s THR 475 N -3.11 0.07 -0.26 2.62 -1.32 -1.25 -4.98 115.64 107.42 1n62 s THR 475 Ca 0.05 -0.61 0.07 0.00 -1.21 0.00 0.00 61.69 59.99 1n62 s THR 475 Cb 0.16 -1.06 0.17 0.00 -1.51 0.00 0.00 72.50 70.26 1n62 s THR 475 CO 0.87 -0.33 1.12 0.54 -2.21 0.00 0.00 174.62 174.61 1n62 n ARG 476 N 0.22 2.67 -3.79 7.08 5.12 -1.26 -4.47 116.66 122.24 1n62 n ARG 476 Ca -0.17 -1.93 -0.37 0.00 -1.93 0.00 0.00 57.85 53.44 1n62 n ARG 476 Cb 0.61 -1.22 -0.06 0.00 -1.16 0.00 0.00 32.46 30.63 1n62 n ARG 476 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1n62 s GLU 477 N -1.48 3.55 0.13 5.56 2.12 -1.26 -1.45 118.70 125.87 1n62 s GLU 477 Ca 0.15 -0.01 0.10 0.00 0.36 0.00 0.00 54.97 55.57 1n62 s GLU 477 Cb 0.11 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 1n62 s GLU 477 CO 0.05 0.76 -0.23 0.96 -0.54 0.00 0.00 175.26 176.25 1n62 s ILE 478 N -1.05 2.04 -0.11 -3.70 -4.36 0.16 -4.85 121.20 109.33 1n62 s ILE 478 Ca 0.17 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1n62 s ILE 478 Cb -0.13 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.71 1n62 s ILE 478 CO 0.07 -0.04 -0.14 -0.32 0.24 0.00 0.00 174.94 174.75 1n62 s MET 479 N -2.19 3.19 0.08 0.37 -2.45 -1.26 -0.15 119.30 116.89 1n62 s MET 479 Ca 0.13 -0.70 0.09 0.00 -1.25 0.00 0.00 55.69 53.96 1n62 s MET 479 Cb -0.09 -2.56 -0.03 0.00 1.25 0.00 0.00 34.83 33.39 1n62 s MET 479 CO 0.06 0.29 -0.25 0.20 1.05 0.00 0.00 175.02 176.38 1n62 s GLY 480 N 0.13 1.39 -0.25 2.11 0.00 0.65 -4.20 107.32 107.14 1n62 s GLY 480 Ca -0.07 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1n62 s GLY 480 CO 0.05 -1.22 -0.08 -0.42 0.00 0.00 0.00 173.10 171.43 1n62 s ILE 481 N -0.92 2.57 -0.14 0.90 1.01 -1.26 -0.94 121.20 122.43 1n62 s ILE 481 Ca 0.11 -1.29 -0.13 0.00 0.00 0.00 0.00 60.65 59.34 1n62 s ILE 481 Cb -0.10 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 1n62 s ILE 481 CO 0.03 0.10 0.27 -0.83 0.00 0.00 0.00 174.94 174.52 1n62 s GLY 482 N 1.23 2.22 -0.08 6.18 0.00 0.73 -4.40 107.32 113.21 1n62 s GLY 482 Ca -0.03 -0.47 0.04 0.00 0.00 0.00 0.00 44.72 44.26 1n62 s GLY 482 CO -0.05 0.25 -0.20 -0.42 0.00 0.00 0.00 173.10 172.68 1n62 s ILE 483 N 0.05 1.75 -0.15 0.90 1.01 -1.26 -0.81 121.20 122.69 1n62 s ILE 483 Ca 0.16 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 1n62 s ILE 483 Cb -0.13 -1.52 0.05 0.00 0.01 0.00 0.00 42.46 40.87 1n62 s ILE 483 CO 0.05 0.49 0.05 -0.55 0.00 0.00 0.00 174.94 174.97 1n62 s SER 484 N 0.28 2.31 -0.24 3.58 0.15 -0.01 -4.52 113.70 115.25 1n62 s SER 484 Ca -0.13 -0.53 -0.04 0.00 0.70 0.00 0.00 55.95 55.96 1n62 s SER 484 Cb -0.16 -0.42 0.01 0.00 -1.71 0.00 0.00 66.02 63.74 1n62 s SER 484 CO 0.06 -0.29 -0.03 0.12 1.20 0.00 0.00 173.24 174.30 1n62 s PHE 485 N 1.99 3.03 0.08 3.44 2.19 -1.26 -0.38 117.98 127.07 1n62 s PHE 485 Ca 0.02 -1.17 0.05 0.00 0.33 0.00 0.00 56.93 56.15 1n62 s PHE 485 Cb -0.15 -2.12 -0.03 0.00 -1.31 0.00 0.00 43.02 39.41 1n62 s PHE 485 CO -0.07 -0.62 -0.13 -0.59 1.83 0.00 0.00 175.22 175.64 1n62 s PHE 486 N 1.43 1.19 -0.21 10.12 -0.71 -0.33 -4.68 117.98 124.78 1n62 s PHE 486 Ca 0.03 -0.52 -0.02 0.00 -1.04 0.00 0.00 56.93 55.38 1n62 s PHE 486 Cb -0.16 -0.65 0.00 0.00 -1.21 0.00 0.00 43.02 41.00 1n62 s PHE 486 CO -0.03 0.05 -0.09 0.99 -1.34 0.00 0.00 175.22 174.81 1n62 s THR 487 N -1.68 2.96 0.59 -4.49 2.01 -1.26 -1.52 115.64 112.25 1n62 s THR 487 Ca 0.01 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 1n62 s THR 487 Cb -0.08 -2.34 0.02 0.00 0.01 0.00 0.00 72.50 70.11 1n62 s THR 487 CO 0.02 0.43 0.88 -1.61 -0.69 0.00 0.00 174.62 173.65 1n62 s GLU 488 N 1.41 2.79 -0.18 4.92 0.41 0.26 -4.92 118.70 123.39 1n62 s GLU 488 Ca 0.05 -0.16 -0.05 0.00 -0.41 0.00 0.00 54.97 54.40 1n62 s GLU 488 Cb -0.14 -2.31 0.06 0.00 -1.78 0.00 0.00 34.13 29.97 1n62 s GLU 488 CO -0.06 -0.73 0.09 -1.50 -0.49 0.00 0.00 175.26 172.57 1n62 s ILE 489 N -2.96 -0.06 0.01 -1.63 2.07 -1.26 -3.93 121.20 113.45 1n62 s ILE 489 Ca 0.54 -0.24 -0.00 0.00 -1.41 0.00 0.00 60.65 59.54 1n62 s ILE 489 Cb -0.10 -0.63 -0.02 0.00 0.13 0.00 0.00 42.46 41.84 1n62 s ILE 489 CO 0.44 -0.32 -0.01 0.68 -1.91 0.00 0.00 174.94 173.81 1n62 s VAL 490 N 2.12 0.09 0.00 4.00 -7.23 0.25 -4.93 120.40 114.71 1n62 s VAL 490 Ca 0.03 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 1n62 s VAL 490 Cb -0.16 -0.23 0.00 0.00 0.56 0.00 0.00 36.38 36.55 1n62 s VAL 490 CO -0.12 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 1n62 n GLY 491 N 1.86 1.44 3.71 2.32 0.00 -1.16 -0.40 105.19 112.95 1n62 n GLY 491 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1n62 n GLY 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 n ALA 492 N -0.12 2.57 0.00 4.61 0.00 -1.26 -4.65 120.51 121.66 1n62 n ALA 492 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1n62 n ALA 492 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 16.90 1n62 n ALA 492 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n62 n GLY 493 N 4.08 -0.91 3.73 0.00 0.00 -0.04 -4.73 105.19 107.32 1n62 n GLY 493 Ca 0.17 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 1n62 n GLY 493 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n62 n PRO 494 N -0.11 2.03 0.27 1.61 -0.02 -1.23 -4.03 135.00 133.52 1n62 n PRO 494 Ca 0.00 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.33 1n62 n PRO 494 Cb 0.00 -2.51 0.74 0.00 -0.02 0.00 0.00 33.50 31.71 1n62 n PRO 494 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1n62 h SER 495 N 2.07 0.00 -0.86 2.55 4.64 -1.78 -0.21 113.55 119.96 1n62 h SER 495 Ca -0.49 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 60.94 1n62 h SER 495 Cb 1.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.31 1n62 h SER 495 CO 0.60 0.10 0.56 0.07 -0.87 0.00 0.00 176.83 177.29 1n62 h LYS 496 N 0.00 0.73 0.00 4.77 2.10 -1.94 -3.35 116.57 118.88 1n62 h LYS 496 Ca -0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1n62 h LYS 496 Cb 0.28 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1n62 h LYS 496 CO 0.01 0.48 -0.00 0.27 -2.00 0.00 0.00 179.45 178.21 1n62 n ASN 497 N -4.54 0.00 -4.01 7.07 0.23 -0.92 -5.03 115.26 108.06 1n62 n ASN 497 Ca 0.16 -1.00 -0.31 0.00 -0.53 0.00 0.00 54.58 52.90 1n62 n ASN 497 Cb 0.39 -0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.93 1n62 n ASN 497 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n62 s ASP 499 N 1.40 -0.21 -0.41 0.00 -4.77 -1.26 -1.52 116.67 109.89 1n62 s ASP 499 Ca 0.00 0.12 -0.10 0.00 -3.30 0.00 0.00 52.55 49.28 1n62 s ASP 499 Cb -0.15 0.33 0.07 0.00 -1.09 0.00 0.00 42.92 42.07 1n62 s ASP 499 CO -0.09 -0.44 0.25 -0.63 0.70 0.00 0.00 175.17 174.96 1n62 s ILE 500 N -1.27 4.37 -1.60 2.11 -1.09 0.33 -0.73 121.20 123.32 1n62 s ILE 500 Ca -0.13 -1.25 -0.12 0.00 -2.23 0.00 0.00 60.65 56.92 1n62 s ILE 500 Cb -0.05 -3.61 0.10 0.00 -1.58 0.00 0.00 42.46 37.32 1n62 s ILE 500 CO 0.04 -0.44 0.66 0.18 -1.23 0.00 0.00 174.94 174.16 1n62 n LEU 501 N 4.95 -1.90 0.00 2.97 4.77 -1.26 -0.60 117.00 125.94 1n62 n LEU 501 Ca -0.11 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 1n62 n LEU 501 Cb 0.44 -2.14 0.00 0.00 -2.33 0.00 0.00 43.42 39.38 1n62 n LEU 501 CO 0.39 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1n62 n GLY 502 N -1.63 0.78 3.62 -0.72 0.00 -1.26 -5.03 105.19 100.96 1n62 n GLY 502 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1n62 n GLY 502 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n62 s VAL 503 N -2.44 5.27 0.68 1.61 1.01 0.23 -5.02 120.40 121.74 1n62 s VAL 503 Ca 0.00 0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.17 1n62 s VAL 503 Cb 0.00 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1n62 s VAL 503 CO 0.00 0.25 1.25 -1.20 0.00 0.00 0.00 175.10 175.40 1n62 n SER 504 N 4.85 1.75 -3.45 3.32 7.64 -1.26 -0.51 113.62 125.96 1n62 n SER 504 Ca -0.12 0.77 -0.39 0.00 1.01 0.00 0.00 58.87 60.14 1n62 n SER 504 Cb 0.52 -1.54 -0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1n62 n SER 504 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1n62 n MET 505 N -2.16 4.63 -2.25 1.43 0.00 -0.58 -4.80 117.12 113.40 1n62 n MET 505 Ca 0.15 -3.64 -0.27 0.00 0.00 0.00 0.00 57.70 53.94 1n62 n MET 505 Cb 0.49 -2.57 0.15 0.00 0.00 0.00 0.00 33.22 31.29 1n62 n MET 505 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1n62 s PHE 506 N -1.86 1.58 0.22 2.03 -0.12 -1.26 -0.86 117.98 117.71 1n62 s PHE 506 Ca 0.51 0.03 0.01 0.00 -0.05 0.00 0.00 56.93 57.44 1n62 s PHE 506 Cb 0.20 -3.58 -0.00 0.00 -0.63 0.00 0.00 43.02 39.01 1n62 s PHE 506 CO -0.11 -2.20 0.27 -3.47 -0.05 0.00 0.00 175.22 169.65 1n62 n ASP 507 N -3.32 -0.72 -3.71 1.98 -0.08 -0.92 -3.83 116.55 105.95 1n62 n ASP 507 Ca 0.15 -2.31 -0.10 0.00 -1.51 0.00 0.00 54.79 51.02 1n62 n ASP 507 Cb 0.60 1.44 -0.05 0.00 2.34 0.00 0.00 41.12 45.44 1n62 n ASP 507 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1n62 s SER 508 N -2.46 -0.12 -0.09 1.67 1.04 -1.26 0.28 113.70 112.76 1n62 s SER 508 Ca 0.22 -0.43 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 1n62 s SER 508 Cb 0.00 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.58 1n62 s SER 508 CO 0.15 -0.81 0.30 0.00 0.98 0.00 0.00 173.24 173.87 1n62 s ALA 509 N -3.82 -0.75 -0.05 5.32 0.00 -0.26 -1.79 121.76 120.40 1n62 s ALA 509 Ca 0.04 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.74 1n62 s ALA 509 Cb 0.03 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1n62 s ALA 509 CO -0.12 -0.17 -0.13 -2.00 0.00 0.00 0.00 175.76 173.35 1n62 s GLU 510 N -0.20 1.58 -0.07 0.00 2.12 0.66 -0.60 118.70 122.18 1n62 s GLU 510 Ca -0.03 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 54.88 1n62 s GLU 510 Cb -0.03 -1.34 0.02 0.00 0.26 0.00 0.00 34.13 33.04 1n62 s GLU 510 CO 0.01 0.08 -0.09 0.42 -0.54 0.00 0.00 175.26 175.15 1n62 s ILE 511 N 0.46 0.94 -0.10 -3.70 1.01 0.63 -0.55 121.20 119.89 1n62 s ILE 511 Ca -0.10 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1n62 s ILE 511 Cb -0.14 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.45 1n62 s ILE 511 CO 0.03 0.32 -0.10 -0.60 0.00 0.00 0.00 174.94 174.59 1n62 s ARG 512 N 0.92 1.67 -0.19 2.79 3.52 0.34 -0.59 118.95 127.40 1n62 s ARG 512 Ca -0.10 -0.34 -0.12 0.00 -0.13 0.00 0.00 55.73 55.04 1n62 s ARG 512 Cb -0.15 -1.58 -0.05 0.00 -1.56 0.00 0.00 34.95 31.61 1n62 s ARG 512 CO 0.01 -0.17 0.22 0.42 -0.81 0.00 0.00 175.30 174.97 1n62 s ILE 513 N 1.34 5.35 0.75 4.11 -1.09 0.07 -1.35 121.20 130.38 1n62 s ILE 513 Ca -0.02 0.36 -0.12 0.00 -2.23 0.00 0.00 60.65 58.65 1n62 s ILE 513 Cb -0.14 -3.56 0.04 0.00 -1.58 0.00 0.00 42.46 37.23 1n62 s ILE 513 CO -0.04 0.39 1.11 -1.00 -1.23 0.00 0.00 174.94 174.17 1n62 s HIS 514 N 0.62 3.11 0.36 3.97 3.76 0.76 -4.44 115.29 123.43 1n62 s HIS 514 Ca 0.12 1.01 0.05 0.00 -0.15 0.00 0.00 55.06 56.09 1n62 s HIS 514 Cb -0.12 -3.17 0.73 0.00 1.11 0.00 0.00 32.58 31.12 1n62 s HIS 514 CO 0.02 -1.47 1.98 -1.35 -0.85 0.00 0.00 174.74 173.07 1n62 h PRO 515 N -0.86 0.74 -0.26 8.40 0.11 -1.87 -0.36 132.00 137.91 1n62 h PRO 515 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1n62 h PRO 515 Cb 1.27 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1n62 h PRO 515 CO 0.63 0.49 0.00 0.25 -0.21 0.00 0.00 178.00 179.16 1n62 n THR 516 N -4.47 0.33 0.00 -1.15 -2.24 -1.26 -2.98 114.28 102.52 1n62 n THR 516 Ca 0.09 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1n62 n THR 516 Cb 0.18 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1n62 n THR 516 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n62 n GLY 517 N 1.18 0.42 3.95 3.38 0.00 -0.14 -5.00 105.19 108.98 1n62 n GLY 517 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1n62 n GLY 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n62 s SER 518 N -2.61 4.10 -0.01 1.61 1.04 -1.26 -4.80 113.70 111.77 1n62 s SER 518 Ca 0.00 0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.55 1n62 s SER 518 Cb 0.00 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1n62 s SER 518 CO 0.00 -2.06 0.05 -0.69 0.98 0.00 0.00 173.24 171.52 1n62 s VAL 519 N -3.43 0.02 -0.12 5.02 1.01 -0.04 -0.17 120.40 122.68 1n62 s VAL 519 Ca 0.67 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.50 1n62 s VAL 519 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1n62 s VAL 519 CO 0.47 -0.09 -0.17 -0.51 0.00 0.00 0.00 175.10 174.81 1n62 s ILE 520 N -0.24 2.66 0.01 2.22 1.10 -0.46 -0.34 121.20 126.14 1n62 s ILE 520 Ca -0.03 -0.80 0.02 0.00 -0.51 0.00 0.00 60.65 59.33 1n62 s ILE 520 Cb -0.02 -2.09 -0.01 0.00 0.15 0.00 0.00 42.46 40.49 1n62 s ILE 520 CO 0.00 0.53 -0.07 0.00 -2.11 0.00 0.00 174.94 173.30 1n62 s ALA 521 N 0.43 0.54 0.10 1.50 0.00 0.30 -0.50 121.76 124.13 1n62 s ALA 521 Ca -0.13 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.48 1n62 s ALA 521 Cb -0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1n62 s ALA 521 CO 0.06 0.10 -0.10 1.03 0.00 0.00 0.00 175.76 176.85 1n62 s ARG 522 N -0.48 0.85 0.08 0.00 0.52 0.28 -0.82 118.95 119.39 1n62 s ARG 522 Ca -0.00 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.02 1n62 s ARG 522 Cb -0.04 -0.50 -0.04 0.00 0.52 0.00 0.00 34.95 34.89 1n62 s ARG 522 CO -0.00 0.07 -0.04 -1.64 0.02 0.00 0.00 175.30 173.71 1n62 s MET 523 N -2.94 0.73 -0.02 3.54 -1.94 -1.00 -0.25 119.30 117.43 1n62 s MET 523 Ca 0.07 -1.28 0.10 0.00 -1.71 0.00 0.00 55.69 52.86 1n62 s MET 523 Cb -0.02 0.01 0.32 0.00 2.01 0.00 0.00 34.83 37.16 1n62 s MET 523 CO -0.00 -0.07 1.23 0.41 -0.01 0.00 0.00 175.02 176.58 1n62 n GLY 524 N 0.03 0.90 3.27 -0.03 0.00 -0.74 -4.50 105.19 104.12 1n62 n GLY 524 Ca -0.13 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 1n62 n GLY 524 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n62 n THR 525 N 0.50 0.00 -3.30 2.61 -2.24 -1.26 -2.40 114.28 108.19 1n62 n THR 525 Ca 0.12 -1.40 -0.06 0.00 -2.27 0.00 0.00 64.05 60.44 1n62 n THR 525 Cb 0.36 -0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 67.66 1n62 n THR 525 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1n62 s LYS 526 N -4.56 0.41 0.47 -0.78 2.47 -1.26 -4.15 119.74 112.34 1n62 s LYS 526 Ca 0.55 0.52 -0.24 0.00 -1.56 0.00 0.00 55.97 55.24 1n62 s LYS 526 Cb -0.03 -0.24 -0.08 0.00 -1.46 0.00 0.00 37.83 36.02 1n62 s LYS 526 CO 0.36 -0.75 1.18 0.45 0.16 0.00 0.00 175.35 176.75 1n62 n SER 527 N 5.38 2.03 -1.46 1.43 2.88 -1.26 -4.29 113.62 118.33 1n62 n SER 527 Ca -0.02 1.03 -0.06 0.00 -1.33 0.00 0.00 58.87 58.49 1n62 n SER 527 Cb 0.50 -1.46 0.10 0.00 -0.75 0.00 0.00 64.21 62.60 1n62 n SER 527 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n62 n GLN 528 N -0.26 2.13 0.00 -1.46 3.00 -1.26 -4.54 117.38 114.99 1n62 n GLN 528 Ca 0.09 -3.48 0.00 0.00 -0.01 0.00 0.00 57.00 53.60 1n62 n GLN 528 Cb 0.41 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.00 1n62 n GLN 528 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n62 n GLY 529 N -0.72 0.81 0.00 1.08 0.00 -1.26 -2.92 105.19 102.18 1n62 n GLY 529 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1n62 n GLY 529 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n62 n GLN 530 N 0.00 0.93 -0.59 1.61 3.00 -1.26 -4.86 117.38 116.21 1n62 n GLN 530 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1n62 n GLN 530 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 28.84 1n62 n GLN 530 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n62 n GLY 531 N 0.77 0.64 0.36 1.08 0.00 -1.26 -4.95 105.19 101.84 1n62 n GLY 531 Ca 0.18 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.66 1n62 n GLY 531 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1n62 h HIS 532 N 0.00 1.01 0.00 1.61 3.86 -1.97 0.42 115.15 120.08 1n62 h HIS 532 Ca 0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1n62 h HIS 532 Cb 0.00 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.13 1n62 h HIS 532 CO 0.00 0.55 -0.02 0.93 0.86 0.00 0.00 177.93 180.24 1n62 h GLU 533 N 1.01 0.00 0.00 2.45 5.08 -1.92 -0.25 114.58 120.95 1n62 h GLU 533 Ca 0.37 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.59 1n62 h GLU 533 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1n62 h GLU 533 CO -0.13 0.02 -0.86 1.15 -1.00 0.00 0.00 179.01 178.19 1n62 h THR 534 N 0.00 0.82 0.07 1.13 2.02 -1.42 -3.40 112.91 112.13 1n62 h THR 534 Ca -0.00 -1.92 -0.25 0.00 0.77 0.00 0.00 66.41 65.01 1n62 h THR 534 Cb 0.15 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1n62 h THR 534 CO 0.00 0.28 -1.10 0.71 0.37 0.00 0.00 175.52 175.78 1n62 h THR 535 N -1.00 1.47 -0.60 3.16 1.35 -0.77 -2.81 112.91 113.71 1n62 h THR 535 Ca -0.21 -2.82 -0.01 0.00 -0.55 0.00 0.00 66.41 62.81 1n62 h THR 535 Cb 1.04 2.72 -0.03 0.00 -1.73 0.00 0.00 68.15 70.15 1n62 h THR 535 CO -0.13 0.83 0.32 1.88 -0.25 0.00 0.00 175.52 178.17 1n62 h TYR 536 N 0.13 0.81 0.00 4.73 0.05 -1.28 -1.02 116.97 120.39 1n62 h TYR 536 Ca -0.10 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.60 1n62 h TYR 536 Cb 1.79 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 39.26 1n62 h TYR 536 CO 0.06 0.57 -0.29 0.00 -1.05 0.00 0.00 178.16 177.45 1n62 h ALA 537 N 1.52 1.48 -0.60 3.88 0.00 -1.71 -2.20 119.26 121.63 1n62 h ALA 537 Ca 0.21 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1n62 h ALA 537 Cb 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1n62 h ALA 537 CO -0.03 0.36 0.00 1.96 0.00 0.00 0.00 179.25 181.54 1n62 h GLN 538 N 0.00 1.06 -0.03 0.00 4.20 -0.94 0.17 115.11 119.57 1n62 h GLN 538 Ca -0.00 -0.34 0.01 0.00 0.06 0.00 0.00 58.65 58.38 1n62 h GLN 538 Cb 0.52 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1n62 h GLN 538 CO 0.04 1.04 -0.01 0.82 -0.67 0.00 0.00 178.83 180.05 1n62 h ILE 539 N 0.96 0.97 -0.61 2.54 2.04 -1.04 -2.20 117.51 120.18 1n62 h ILE 539 Ca 0.17 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 1n62 h ILE 539 Cb 0.56 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1n62 h ILE 539 CO 0.03 0.00 0.27 0.40 0.00 0.00 0.00 178.15 178.85 1n62 h ILE 540 N 0.00 1.22 -0.41 -0.67 2.04 -1.22 -1.88 117.51 116.59 1n62 h ILE 540 Ca 0.01 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.24 1n62 h ILE 540 Cb 0.02 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 1n62 h ILE 540 CO -0.03 0.26 0.20 0.00 0.00 0.00 0.00 178.15 178.58 1n62 h ALA 541 N 1.11 0.50 -0.44 1.87 0.00 -0.44 0.99 119.26 122.85 1n62 h ALA 541 Ca 0.21 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1n62 h ALA 541 Cb 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1n62 h ALA 541 CO -0.02 -0.16 0.06 1.15 0.00 0.00 0.00 179.25 180.28 1n62 h THR 542 N 0.40 1.25 -0.77 0.00 2.02 -1.24 0.30 112.91 114.88 1n62 h THR 542 Ca 0.18 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1n62 h THR 542 Cb 0.09 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1n62 h THR 542 CO -0.13 0.32 0.40 -0.33 0.37 0.00 0.00 175.52 176.15 1n62 h GLU 543 N 0.59 1.09 -0.00 6.66 4.39 -0.65 -3.31 114.58 123.35 1n62 h GLU 543 Ca 0.13 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1n62 h GLU 543 Cb 0.40 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1n62 h GLU 543 CO 0.01 0.82 -0.55 1.28 -1.16 0.00 0.00 179.01 179.41 1n62 n LEU 544 N -4.41 0.72 -2.33 1.33 4.77 0.28 -4.91 117.00 112.44 1n62 n LEU 544 Ca 0.07 -0.54 -0.18 0.00 -0.03 0.00 0.00 56.01 55.34 1n62 n LEU 544 Cb 0.11 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1n62 n LEU 544 CO 0.38 0.17 -0.04 0.61 -1.33 0.00 0.00 177.39 177.19 1n62 n GLY 545 N 1.26 -0.28 3.41 -0.72 0.00 0.10 -4.73 105.19 104.25 1n62 n GLY 545 Ca 0.03 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1n62 n GLY 545 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n62 s ILE 546 N -3.01 3.44 0.48 -0.61 1.01 -1.16 -4.70 121.20 116.66 1n62 s ILE 546 Ca 0.20 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 60.10 1n62 s ILE 546 Cb -0.09 -2.49 -0.08 0.00 0.01 0.00 0.00 42.46 39.82 1n62 s ILE 546 CO 0.24 0.50 1.27 -2.65 0.00 0.00 0.00 174.94 174.30 1n62 n PRO 547 N 3.72 1.76 -0.18 2.79 -0.02 -1.26 -4.11 135.00 137.71 1n62 n PRO 547 Ca -0.18 0.64 0.08 0.00 -2.02 0.00 0.00 63.50 62.02 1n62 n PRO 547 Cb 0.52 -2.44 0.39 0.00 -0.02 0.00 0.00 33.50 31.95 1n62 n PRO 547 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n62 h ALA 548 N 1.71 1.79 0.00 3.55 0.00 -1.32 0.22 119.26 125.21 1n62 h ALA 548 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1n62 h ALA 548 Cb 1.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1n62 h ALA 548 CO 0.58 0.07 0.00 -0.44 0.00 0.00 0.00 179.25 179.46 1n62 h ASP 549 N 0.68 0.00 -0.39 0.00 3.32 -1.88 -1.62 116.42 116.53 1n62 h ASP 549 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1n62 h ASP 549 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1n62 h ASP 549 CO -0.11 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.88 1n62 n ASP 550 N -2.60 2.41 -4.10 6.45 8.00 0.76 -4.84 116.55 122.63 1n62 n ASP 550 Ca -0.00 -2.09 -0.28 0.00 0.71 0.00 0.00 54.79 53.12 1n62 n ASP 550 Cb 0.15 -0.33 -0.17 0.00 -0.02 0.00 0.00 41.12 40.75 1n62 n ASP 550 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n62 s ILE 551 N -1.55 1.55 -0.19 0.53 1.01 -0.61 -0.86 121.20 121.07 1n62 s ILE 551 Ca 0.27 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 1n62 s ILE 551 Cb 0.16 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1n62 s ILE 551 CO 0.17 0.45 0.05 -0.32 0.00 0.00 0.00 174.94 175.28 1n62 s MET 552 N 0.60 3.85 -0.12 2.79 -2.45 0.54 -4.96 119.30 119.54 1n62 s MET 552 Ca -0.15 -0.41 -0.03 0.00 -1.25 0.00 0.00 55.69 53.85 1n62 s MET 552 Cb -0.16 -3.18 -0.03 0.00 1.25 0.00 0.00 34.83 32.70 1n62 s MET 552 CO 0.05 0.16 -0.00 0.42 1.05 0.00 0.00 175.02 176.70 1n62 s ILE 553 N 0.65 4.25 0.06 10.11 -1.09 -1.26 -0.54 121.20 133.39 1n62 s ILE 553 Ca 0.02 -0.25 0.04 0.00 -2.23 0.00 0.00 60.65 58.23 1n62 s ILE 553 Cb -0.13 -2.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 1n62 s ILE 553 CO 0.02 0.55 -0.12 -1.61 -1.23 0.00 0.00 174.94 172.55 1n62 s GLU 554 N -0.31 0.72 0.04 2.79 2.02 -0.00 -4.86 118.70 119.11 1n62 s GLU 554 Ca 0.06 -0.91 -0.07 0.00 0.02 0.00 0.00 54.97 54.08 1n62 s GLU 554 Cb -0.12 -0.62 -0.01 0.00 0.10 0.00 0.00 34.13 33.48 1n62 s GLU 554 CO 0.02 0.13 0.14 -1.21 0.02 0.00 0.00 175.26 174.36 1n62 s GLU 555 N -1.78 0.63 0.00 1.61 2.02 -1.26 -2.36 118.70 117.56 1n62 s GLU 555 Ca -0.04 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1n62 s GLU 555 Cb -0.09 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.39 1n62 s GLU 555 CO 0.01 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.54 1n62 n GLY 556 N 0.75 0.54 3.41 -1.39 0.00 -1.26 -4.88 105.19 102.36 1n62 n GLY 556 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1n62 n GLY 556 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1n62 s ASN 557 N -1.99 5.79 0.46 1.61 3.84 -1.26 -0.31 114.94 123.07 1n62 s ASN 557 Ca 0.00 -0.87 0.30 0.00 0.21 0.00 0.00 52.86 52.51 1n62 s ASN 557 Cb 0.00 -2.05 1.24 0.00 -0.55 0.00 0.00 41.25 39.89 1n62 s ASN 557 CO 0.00 -0.36 1.90 0.71 -2.79 0.00 0.00 177.10 176.56 1n62 h THR 558 N 5.77 0.00 -0.02 -5.21 1.35 -1.34 0.87 112.91 114.33 1n62 h THR 558 Ca -0.27 -0.43 -0.08 0.00 -0.55 0.00 0.00 66.41 65.08 1n62 h THR 558 Cb 1.12 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 1n62 h THR 558 CO 0.67 0.00 -0.37 0.44 -0.25 0.00 0.00 175.52 176.01 1n62 h ASP 559 N 0.00 0.04 0.00 5.36 3.32 -1.88 -3.39 116.42 119.86 1n62 h ASP 559 Ca 0.00 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 1n62 h ASP 559 Cb 0.47 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1n62 h ASP 559 CO 0.00 0.40 -1.44 0.35 -1.72 0.00 0.00 179.24 176.83 1n62 n THR 560 N -4.09 0.44 -2.38 0.35 -2.24 -0.38 -5.01 114.28 100.97 1n62 n THR 560 Ca -0.02 -0.16 -0.37 0.00 -2.27 0.00 0.00 64.05 61.23 1n62 n THR 560 Cb 0.41 -0.99 -0.02 0.00 -2.10 0.00 0.00 70.33 67.63 1n62 n THR 560 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n62 s ALA 561 N -2.15 3.08 0.74 6.98 0.00 0.16 -4.99 121.76 125.58 1n62 s ALA 561 Ca -0.11 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 1n62 s ALA 561 Cb 0.03 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.85 1n62 s ALA 561 CO 0.17 -0.45 1.20 -1.25 0.00 0.00 0.00 175.76 175.43 1n62 s PRO 562 N -2.47 2.11 0.21 0.00 0.04 -1.26 -4.79 135.00 128.85 1n62 s PRO 562 Ca 0.59 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 63.04 1n62 s PRO 562 Cb -0.27 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 1n62 s PRO 562 CO 0.33 -1.85 1.59 -0.47 0.04 0.00 0.00 177.00 176.64 1n62 s TYR 563 N -2.05 2.96 0.28 0.56 6.14 -1.26 -3.77 117.35 120.21 1n62 s TYR 563 Ca 0.73 0.66 0.01 0.00 0.64 0.00 0.00 57.07 59.12 1n62 s TYR 563 Cb -0.28 -3.98 -0.00 0.00 0.42 0.00 0.00 41.96 38.11 1n62 s TYR 563 CO 0.46 -3.53 0.34 0.41 0.64 0.00 0.00 175.55 173.87 1n62 n GLY 564 N 3.22 2.59 0.73 8.97 0.00 -1.24 -4.35 105.19 115.11 1n62 n GLY 564 Ca 0.12 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.56 1n62 n GLY 564 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n62 n LEU 565 N 0.00 2.51 0.00 0.99 7.99 -1.21 -4.31 117.00 122.97 1n62 n LEU 565 Ca 0.03 -0.95 0.00 0.00 -0.01 0.00 0.00 56.01 55.08 1n62 n LEU 565 Cb 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 1n62 n LEU 565 CO 0.25 0.44 0.00 0.61 -1.51 0.00 0.00 177.39 177.17 1n62 n GLY 566 N 1.18 0.55 3.41 -0.72 0.00 -1.01 -4.72 105.19 103.89 1n62 n GLY 566 Ca 0.11 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 1n62 n GLY 566 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n62 s THR 567 N -1.13 4.51 0.02 2.61 2.01 -0.33 -4.62 115.64 118.70 1n62 s THR 567 Ca 0.00 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 1n62 s THR 567 Cb 0.00 -3.35 0.11 0.00 0.01 0.00 0.00 72.50 69.26 1n62 s THR 567 CO 0.00 -0.00 1.22 -0.72 -0.69 0.00 0.00 174.62 174.43 1n62 s TYR 568 N 1.58 -0.05 -1.92 4.92 -0.85 -1.26 -4.79 117.35 114.99 1n62 s TYR 568 Ca 0.04 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 1n62 s TYR 568 Cb -0.18 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.73 1n62 s TYR 568 CO 0.06 -0.39 0.00 0.41 -1.52 0.00 0.00 175.55 174.10 1n62 n GLY 569 N -0.53 0.74 3.86 5.49 0.00 -1.26 -1.26 105.19 112.24 1n62 n GLY 569 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1n62 n GLY 569 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n62 n SER 570 N -1.62 -3.80 -0.09 1.61 7.64 -1.26 -2.97 113.62 113.14 1n62 n SER 570 Ca -0.22 -0.75 0.11 0.00 1.01 0.00 0.00 58.87 59.03 1n62 n SER 570 Cb 0.67 -3.10 0.04 0.00 -1.01 0.00 0.00 64.21 60.81 1n62 n SER 570 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1n62 n ARG 571 N -4.22 0.23 -0.14 1.43 1.85 -0.39 -4.21 116.66 111.22 1n62 n ARG 571 Ca 0.04 -0.18 -0.10 0.00 -1.00 0.00 0.00 57.85 56.62 1n62 n ARG 571 Cb 0.51 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.41 1n62 n ARG 571 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1n62 h SER 572 N 0.43 0.65 -0.17 2.89 0.02 -1.86 0.48 113.55 115.99 1n62 h SER 572 Ca 0.00 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.61 1n62 h SER 572 Cb 0.54 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1n62 h SER 572 CO 0.00 0.76 -0.13 0.74 -1.14 0.00 0.00 176.83 177.06 1n62 h THR 573 N 0.52 1.33 -0.58 -2.27 2.02 -1.92 0.23 112.91 112.23 1n62 h THR 573 Ca 0.12 -1.26 0.04 0.00 0.77 0.00 0.00 66.41 66.09 1n62 h THR 573 Cb 0.40 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 1n62 h THR 573 CO 0.01 0.37 0.38 -0.65 0.37 0.00 0.00 175.52 176.01 1n62 h PRO 574 N 0.06 0.60 0.00 6.66 0.11 -1.71 -2.72 132.00 135.00 1n62 h PRO 574 Ca 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1n62 h PRO 574 Cb 0.65 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1n62 h PRO 574 CO 0.04 0.40 0.00 0.25 -0.21 0.00 0.00 178.00 178.47 1n62 n THR 575 N -4.47 0.00 0.19 -1.15 -2.24 0.14 -4.04 114.28 102.71 1n62 n THR 575 Ca 0.07 0.30 0.04 0.00 -2.27 0.00 0.00 64.05 62.19 1n62 n THR 575 Cb 0.18 -1.27 0.39 0.00 -2.10 0.00 0.00 70.33 67.53 1n62 n THR 575 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n62 h ALA 576 N -1.46 1.28 -0.61 6.98 0.00 -1.36 0.56 119.26 124.65 1n62 h ALA 576 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1n62 h ALA 576 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1n62 h ALA 576 CO 0.00 0.44 0.05 0.78 0.00 0.00 0.00 179.25 180.52 1n62 h GLY 577 N 1.28 1.13 0.97 0.00 0.00 -0.35 0.24 103.07 106.33 1n62 h GLY 577 Ca -0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 1n62 h GLY 577 CO 0.05 0.73 -0.02 0.00 0.00 0.00 0.00 176.54 177.30 1n62 h ALA 578 N 1.00 -0.05 -0.85 3.60 0.00 -1.15 -2.13 119.26 119.69 1n62 h ALA 578 Ca 0.18 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1n62 h ALA 578 Cb 0.50 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1n62 h ALA 578 CO 0.02 -0.51 0.55 0.00 0.00 0.00 0.00 179.25 179.31 1n62 h ALA 579 N 0.88 1.54 -0.16 0.00 0.00 -0.46 0.06 119.26 121.13 1n62 h ALA 579 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1n62 h ALA 579 Cb 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1n62 h ALA 579 CO 0.01 0.35 0.08 1.15 0.00 0.00 0.00 179.25 180.84 1n62 h THR 580 N 0.98 1.10 -0.55 0.00 2.02 -0.37 0.23 112.91 116.32 1n62 h THR 580 Ca 0.35 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1n62 h THR 580 Cb 0.15 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1n62 h THR 580 CO -0.12 0.09 0.25 0.00 0.37 0.00 0.00 175.52 176.12 1n62 h ALA 581 N 0.98 0.71 -0.45 6.16 0.00 -0.71 -0.09 119.26 125.85 1n62 h ALA 581 Ca 0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1n62 h ALA 581 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1n62 h ALA 581 CO -0.01 0.28 -0.08 0.28 0.00 0.00 0.00 179.25 179.73 1n62 h VAL 582 N 0.74 1.27 -0.61 0.00 2.07 -0.71 0.11 116.25 119.12 1n62 h VAL 582 Ca 0.19 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 1n62 h VAL 582 Cb 0.14 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1n62 h VAL 582 CO -0.02 0.40 0.15 0.00 0.02 0.00 0.00 177.57 178.12 1n62 h ALA 583 N 0.88 0.81 -0.48 1.67 0.00 -0.45 -1.05 119.26 120.64 1n62 h ALA 583 Ca 0.12 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1n62 h ALA 583 Cb 0.61 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1n62 h ALA 583 CO 0.04 0.52 0.03 0.00 0.00 0.00 0.00 179.25 179.85 1n62 h ALA 584 N 1.04 1.17 -0.11 0.00 0.00 -0.69 -1.50 119.26 119.16 1n62 h ALA 584 Ca 0.19 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1n62 h ALA 584 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1n62 h ALA 584 CO 0.00 0.55 -0.30 0.00 0.00 0.00 0.00 179.25 179.50 1n62 h ARG 585 N 0.73 0.21 -0.60 0.00 3.08 -0.23 0.11 114.38 117.68 1n62 h ARG 585 Ca 0.15 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1n62 h ARG 585 Cb 0.39 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1n62 h ARG 585 CO 0.01 0.50 0.32 0.87 -1.07 0.00 0.00 179.97 180.60 1n62 h LYS 586 N 0.19 0.83 -0.59 0.04 1.57 -0.23 -0.34 116.57 118.03 1n62 h LYS 586 Ca 0.03 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1n62 h LYS 586 Cb 0.64 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1n62 h LYS 586 CO 0.05 0.64 0.20 0.82 -0.57 0.00 0.00 179.45 180.59 1n62 h ILE 587 N 0.81 1.24 -0.75 1.86 2.04 -0.59 -1.61 117.51 120.50 1n62 h ILE 587 Ca 0.21 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1n62 h ILE 587 Cb 0.05 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1n62 h ILE 587 CO -0.03 0.30 0.49 0.50 0.00 0.00 0.00 178.15 179.41 1n62 h LYS 588 N 0.84 1.00 -0.78 2.37 3.64 -0.52 0.17 116.57 123.28 1n62 h LYS 588 Ca 0.19 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1n62 h LYS 588 Cb 0.26 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1n62 h LYS 588 CO -0.01 0.67 0.38 0.00 -2.27 0.00 0.00 179.45 178.23 1n62 h ALA 589 N 1.27 1.01 -0.46 5.00 0.00 -0.72 0.17 119.26 125.53 1n62 h ALA 589 Ca 0.27 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1n62 h ALA 589 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1n62 h ALA 589 CO -0.06 0.56 0.02 -0.22 0.00 0.00 0.00 179.25 179.55 1n62 h LYS 590 N 1.10 0.80 -0.71 0.00 3.64 -0.58 -2.21 116.57 118.62 1n62 h LYS 590 Ca 0.27 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1n62 h LYS 590 Cb 0.11 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1n62 h LYS 590 CO -0.04 0.85 0.47 0.00 -2.27 0.00 0.00 179.45 178.46 1n62 h ALA 591 N 0.92 1.56 -0.64 5.00 0.00 -0.28 -0.00 119.26 125.81 1n62 h ALA 591 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1n62 h ALA 591 Cb 0.48 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1n62 h ALA 591 CO 0.02 0.39 0.17 0.37 0.00 0.00 0.00 179.25 180.20 1n62 h GLN 592 N 0.90 1.02 -0.65 0.00 4.15 -0.38 0.18 115.11 120.32 1n62 h GLN 592 Ca 0.27 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1n62 h GLN 592 Cb -0.00 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1n62 h GLN 592 CO -0.07 0.91 0.38 0.52 -1.93 0.00 0.00 178.83 178.63 1n62 h MET 593 N 0.94 0.90 -0.49 1.69 2.86 -0.64 -0.35 114.93 119.84 1n62 h MET 593 Ca 0.20 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1n62 h MET 593 Cb 0.33 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1n62 h MET 593 CO -0.00 0.66 0.18 0.82 1.06 0.00 0.00 176.91 179.63 1n62 h ILE 594 N 0.89 1.22 -0.54 -1.22 2.04 -0.52 -1.70 117.51 117.67 1n62 h ILE 594 Ca 0.23 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1n62 h ILE 594 Cb 0.01 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1n62 h ILE 594 CO -0.04 0.26 0.35 0.00 0.00 0.00 0.00 178.15 178.72 1n62 h ALA 595 N 1.03 0.69 -0.81 1.87 0.00 -0.39 0.08 119.26 121.73 1n62 h ALA 595 Ca 0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1n62 h ALA 595 Cb 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1n62 h ALA 595 CO -0.01 0.14 0.36 0.00 0.00 0.00 0.00 179.25 179.74 1n62 h ALA 596 N 1.18 1.04 -0.27 0.00 0.00 -0.87 0.15 119.26 120.50 1n62 h ALA 596 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1n62 h ALA 596 Cb -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1n62 h ALA 596 CO -0.04 0.63 0.13 1.25 0.00 0.00 0.00 179.25 181.23 1n62 h HIS 597 N 1.16 0.38 -0.48 0.00 6.17 -0.74 -0.25 115.15 121.39 1n62 h HIS 597 Ca 0.27 -0.02 -0.13 0.00 0.71 0.00 0.00 60.37 61.21 1n62 h HIS 597 Cb 0.16 -0.12 -0.01 0.00 2.52 0.00 0.00 27.41 29.96 1n62 h HIS 597 CO 0.02 0.34 -0.20 0.52 0.71 0.00 0.00 177.93 179.32 1n62 h MET 598 N 0.30 0.96 -0.00 5.26 2.86 -0.61 -2.89 114.93 120.81 1n62 h MET 598 Ca 0.09 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1n62 h MET 598 Cb 0.10 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1n62 h MET 598 CO -0.01 1.07 -0.24 1.28 1.06 0.00 0.00 176.91 180.06 1n62 n LEU 599 N -4.12 0.73 -3.56 1.22 4.77 0.48 -4.94 117.00 111.59 1n62 n LEU 599 Ca 0.00 -0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 55.68 1n62 n LEU 599 Cb 0.45 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.43 1n62 n LEU 599 CO 0.46 0.14 0.06 -0.62 -1.33 0.00 0.00 177.39 176.11 1n62 n GLU 600 N -0.91 -6.14 -4.35 3.23 1.02 -0.17 -5.01 120.64 108.31 1n62 n GLU 600 Ca 0.12 0.76 -0.19 0.00 -0.02 0.00 0.00 57.16 57.83 1n62 n GLU 600 Cb 0.32 -5.63 -0.10 0.00 -0.02 0.00 0.00 31.44 26.02 1n62 n GLU 600 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1n62 s VAL 601 N -3.46 0.48 0.56 2.62 -7.23 -0.77 -5.05 120.40 107.56 1n62 s VAL 601 Ca 0.08 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.09 1n62 s VAL 601 Cb -0.04 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 1n62 s VAL 601 CO 0.76 0.00 1.04 -1.00 -0.31 0.00 0.00 175.10 175.60 1n62 s HIS 602 N -3.61 3.06 0.34 2.82 3.76 -1.26 -4.48 115.29 115.91 1n62 s HIS 602 Ca 0.36 1.51 0.03 0.00 -0.15 0.00 0.00 55.06 56.81 1n62 s HIS 602 Cb 0.06 -2.99 0.63 0.00 1.11 0.00 0.00 32.58 31.39 1n62 s HIS 602 CO 0.16 -0.96 1.96 0.93 -0.85 0.00 0.00 174.74 175.98 1n62 h GLU 603 N 0.69 0.87 0.00 1.40 5.08 -1.92 0.16 114.58 120.86 1n62 h GLU 603 Ca -0.47 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1n62 h GLU 603 Cb 1.21 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1n62 h GLU 603 CO 0.58 0.57 0.00 0.41 -1.00 0.00 0.00 179.01 179.58 1n62 n GLY 604 N -1.43 -0.94 0.39 -3.84 0.00 -1.26 -1.46 105.19 96.65 1n62 n GLY 604 Ca 0.10 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1n62 n GLY 604 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n62 n ASP 605 N -1.94 1.26 -4.76 1.61 8.00 0.57 -4.90 116.55 116.39 1n62 n ASP 605 Ca 0.01 -1.33 -0.30 0.00 0.71 0.00 0.00 54.79 53.88 1n62 n ASP 605 Cb 0.11 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.16 1n62 n ASP 605 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n62 s LEU 606 N -2.09 3.75 0.02 0.64 1.43 -0.54 -0.27 118.68 121.62 1n62 s LEU 606 Ca 0.37 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 1n62 s LEU 606 Cb 0.21 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1n62 s LEU 606 CO 0.37 0.16 -0.08 -1.83 0.23 0.00 0.00 176.35 175.20 1n62 s GLU 607 N -2.46 0.54 0.01 1.70 -1.05 0.32 -4.85 118.70 112.91 1n62 s GLU 607 Ca 0.29 -0.54 -0.21 0.00 -0.15 0.00 0.00 54.97 54.36 1n62 s GLU 607 Cb -0.12 -0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 33.10 1n62 s GLU 607 CO 0.22 0.10 0.63 -0.46 0.95 0.00 0.00 175.26 176.70 1n62 s TRP 608 N -0.83 3.69 -0.50 4.83 -0.11 -1.26 -0.36 118.94 124.40 1n62 s TRP 608 Ca -0.04 1.26 0.05 0.00 1.22 0.00 0.00 56.10 58.58 1n62 s TRP 608 Cb -0.07 -2.66 0.18 0.00 -1.50 0.00 0.00 33.47 29.42 1n62 s TRP 608 CO 0.00 0.33 0.40 -3.47 -4.62 0.00 0.00 176.95 169.60 1n62 n ASP 609 N 2.76 0.69 0.00 5.86 2.03 0.41 -4.95 116.55 123.35 1n62 n ASP 609 Ca -0.06 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.59 1n62 n ASP 609 Cb 0.51 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1n62 n ASP 609 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1n62 n VAL 610 N 2.46 0.00 -2.02 5.18 0.31 -1.26 -3.17 118.33 119.83 1n62 n VAL 610 Ca 0.27 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.59 1n62 n VAL 610 Cb 0.44 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.37 1n62 n VAL 610 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1n62 n ASP 611 N 2.12 -0.05 -3.51 4.52 5.75 -1.26 -3.67 116.55 120.45 1n62 n ASP 611 Ca 0.00 -1.41 -0.14 0.00 -0.01 0.00 0.00 54.79 53.24 1n62 n ASP 611 Cb 0.00 -0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.01 1n62 n ASP 611 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n62 s ARG 612 N 0.00 0.98 -0.16 0.11 1.70 -1.19 -0.77 118.95 119.61 1n62 s ARG 612 Ca 0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 55.73 55.14 1n62 s ARG 612 Cb 0.02 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.81 1n62 s ARG 612 CO -0.01 -0.36 0.29 -0.06 -1.08 0.00 0.00 175.30 174.08 1n62 s PHE 613 N -2.00 3.45 0.15 5.89 0.08 -0.06 -0.44 117.98 125.05 1n62 s PHE 613 Ca -0.04 0.58 0.08 0.00 0.12 0.00 0.00 56.93 57.66 1n62 s PHE 613 Cb -0.00 -2.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 1n62 s PHE 613 CO 0.01 0.23 -0.07 1.03 -0.10 0.00 0.00 175.22 176.32 1n62 s ARG 614 N 0.49 2.20 0.03 0.44 0.52 0.52 -0.79 118.95 122.35 1n62 s ARG 614 Ca 0.16 -1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 53.95 1n62 s ARG 614 Cb -0.13 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 1n62 s ARG 614 CO 0.04 0.47 1.09 0.08 0.02 0.00 0.00 175.30 177.00 1n62 s VAL 615 N -1.53 4.45 0.13 3.52 1.01 -0.12 -0.52 120.40 127.34 1n62 s VAL 615 Ca 0.24 1.76 -0.34 0.00 0.00 0.00 0.00 61.98 63.65 1n62 s VAL 615 Cb -0.10 -4.13 -0.13 0.00 0.00 0.00 0.00 36.38 32.02 1n62 s VAL 615 CO 0.16 0.13 1.64 0.29 0.00 0.00 0.00 175.10 177.32 1n62 n LYS 616 N 3.95 2.24 0.00 2.72 5.02 0.62 -0.86 118.16 131.86 1n62 n LYS 616 Ca 0.08 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 1n62 n LYS 616 Cb 0.49 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 1n62 n LYS 616 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n62 n GLY 617 N 3.62 2.36 2.24 0.72 0.00 -1.26 -4.86 105.19 108.01 1n62 n GLY 617 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1n62 n GLY 617 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n62 n LEU 618 N 0.00 0.87 0.16 0.99 4.77 -0.04 -4.97 117.00 118.78 1n62 n LEU 618 Ca 0.00 -4.93 0.12 0.00 -0.03 0.00 0.00 56.01 51.18 1n62 n LEU 618 Cb 0.00 0.55 0.57 0.00 -2.33 0.00 0.00 43.42 42.22 1n62 n LEU 618 CO 0.00 2.19 0.86 1.55 -1.33 0.00 0.00 177.39 180.66 1n62 h PRO 619 N 3.49 0.00 0.00 3.23 0.13 -1.89 -0.65 132.00 136.31 1n62 h PRO 619 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1n62 h PRO 619 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1n62 h PRO 619 CO 0.52 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.44 1n62 n GLU 620 N -2.32 0.15 -3.46 0.86 0.00 -1.26 -4.36 120.64 110.25 1n62 n GLU 620 Ca 0.00 0.31 -0.43 0.00 0.00 0.00 0.00 57.16 57.04 1n62 n GLU 620 Cb 0.14 -1.75 -0.08 0.00 0.00 0.00 0.00 31.44 29.75 1n62 n GLU 620 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1n62 s LYS 621 N -3.18 2.87 0.09 3.44 -0.14 -0.25 -5.04 119.74 117.53 1n62 s LYS 621 Ca 0.07 -1.36 -0.19 0.00 -1.36 0.00 0.00 55.97 53.13 1n62 s LYS 621 Cb 0.11 -4.01 0.04 0.00 -1.68 0.00 0.00 37.83 32.29 1n62 s LYS 621 CO 0.41 -0.98 0.45 -0.59 -0.76 0.00 0.00 175.35 173.88 1n62 s PHE 622 N 1.58 -0.31 -0.05 3.18 -0.71 -1.26 -0.95 117.98 119.46 1n62 s PHE 622 Ca 0.04 0.16 0.02 0.00 -1.04 0.00 0.00 56.93 56.11 1n62 s PHE 622 Cb -0.24 0.30 0.01 0.00 -1.21 0.00 0.00 43.02 41.89 1n62 s PHE 622 CO 0.06 -0.67 -0.11 0.15 -1.34 0.00 0.00 175.22 173.30 1n62 s LYS 623 N -3.15 1.48 0.59 1.99 -0.14 0.03 -4.98 119.74 115.56 1n62 s LYS 623 Ca -0.01 -0.38 -0.11 0.00 -1.36 0.00 0.00 55.97 54.11 1n62 s LYS 623 Cb 0.00 -1.27 -0.04 0.00 -1.68 0.00 0.00 37.83 34.84 1n62 s LYS 623 CO -0.07 0.05 1.00 0.95 -0.76 0.00 0.00 175.35 176.51 1n62 s THR 624 N 0.56 4.72 0.37 2.17 -4.23 -1.26 -0.88 115.64 117.09 1n62 s THR 624 Ca -0.11 0.83 0.07 0.00 -1.18 0.00 0.00 61.69 61.29 1n62 s THR 624 Cb -0.14 -3.86 0.29 0.00 1.34 0.00 0.00 72.50 70.13 1n62 s THR 624 CO 0.03 -1.07 1.98 -0.03 -0.54 0.00 0.00 174.62 174.98 1n62 h MET 625 N -0.15 0.68 -0.48 3.99 4.05 -1.24 0.29 114.93 122.07 1n62 h MET 625 Ca -0.45 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 58.91 1n62 h MET 625 Cb 1.19 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.82 1n62 h MET 625 CO 0.62 0.45 0.21 -0.22 0.23 0.00 0.00 176.91 178.20 1n62 h LYS 626 N 0.70 0.71 -0.59 0.39 3.64 -1.89 0.11 116.57 119.64 1n62 h LYS 626 Ca 0.28 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1n62 h LYS 626 Cb 0.23 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1n62 h LYS 626 CO -0.09 0.62 0.13 0.93 -2.27 0.00 0.00 179.45 178.77 1n62 h GLU 627 N 0.64 0.91 -0.38 1.90 5.08 -1.62 -2.12 114.58 118.98 1n62 h GLU 627 Ca 0.16 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1n62 h GLU 627 Cb 0.16 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1n62 h GLU 627 CO -0.02 0.82 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.50 1n62 h LEU 628 N 0.87 0.79 -0.41 1.33 3.38 -0.30 0.49 115.31 121.47 1n62 h LEU 628 Ca 0.19 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1n62 h LEU 628 Cb 0.33 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1n62 h LEU 628 CO 0.00 1.00 0.20 0.00 0.09 0.00 0.00 178.44 179.73 1n62 h ALA 629 N 1.06 0.53 -0.31 1.53 0.00 -0.46 0.43 119.26 122.03 1n62 h ALA 629 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1n62 h ALA 629 Cb 0.75 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1n62 h ALA 629 CO 0.06 0.08 0.12 2.35 0.00 0.00 0.00 179.25 181.86 1n62 h TRP 630 N 0.52 0.48 -0.86 0.00 2.91 -1.16 -2.31 115.95 115.53 1n62 h TRP 630 Ca 0.14 -0.04 0.12 0.00 1.13 0.00 0.00 58.89 60.25 1n62 h TRP 630 Cb 0.10 -0.14 -0.06 0.00 -0.51 0.00 0.00 29.16 28.55 1n62 h TRP 630 CO -0.01 0.46 0.56 0.00 -1.03 0.00 0.00 178.44 178.42 1n62 h ALA 631 N 0.97 1.79 0.00 2.65 0.00 -0.53 0.17 119.26 124.31 1n62 h ALA 631 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1n62 h ALA 631 Cb 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1n62 h ALA 631 CO -0.01 0.00 -0.03 0.66 0.00 0.00 0.00 179.25 179.87 1n62 h SER 632 N 0.73 0.00 0.07 0.00 4.64 -0.33 0.25 113.55 118.92 1n62 h SER 632 Ca 0.42 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.37 1n62 h SER 632 Cb 0.60 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.63 1n62 h SER 632 CO -0.18 0.03 -2.29 -1.22 -0.87 0.00 0.00 176.83 172.30 1n62 n TYR 633 N -3.35 0.31 0.01 4.77 4.02 -0.38 -0.73 117.16 121.81 1n62 n TYR 633 Ca -0.02 0.08 -0.22 0.00 -0.01 0.00 0.00 57.90 57.73 1n62 n TYR 633 Cb 0.16 -1.05 -0.14 0.00 -0.02 0.00 0.00 39.34 38.30 1n62 n TYR 633 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 1n62 h ASN 634 N 0.01 0.41 -1.87 7.72 -0.73 -0.38 -3.42 115.58 117.32 1n62 h ASN 634 Ca -0.51 -0.90 -0.46 0.00 1.87 0.00 0.00 56.30 56.30 1n62 h ASN 634 Cb 2.04 -0.13 -0.40 0.00 0.27 0.00 0.00 38.32 40.10 1n62 h ASN 634 CO -0.01 1.79 -1.20 -1.20 -0.37 0.00 0.00 177.43 176.44 1n62 n SER 635 N -3.65 0.88 -4.70 1.15 7.64 0.84 -5.03 113.62 110.76 1n62 n SER 635 Ca -0.30 -2.98 -0.43 0.00 1.01 0.00 0.00 58.87 56.17 1n62 n SER 635 Cb 1.00 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 1n62 n SER 635 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1n62 n PRO 636 N 0.24 2.67 -1.68 1.43 -0.04 -1.03 -4.70 135.00 131.89 1n62 n PRO 636 Ca 0.23 0.97 -0.44 0.00 -0.04 0.00 0.00 63.50 64.22 1n62 n PRO 636 Cb 0.68 -2.82 -0.02 0.00 -0.04 0.00 0.00 33.50 31.30 1n62 n PRO 636 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1n62 n PRO 637 N 4.72 2.09 -0.34 0.54 -0.02 -1.26 -4.85 135.00 135.88 1n62 n PRO 637 Ca 0.17 0.74 0.22 0.00 -2.02 0.00 0.00 63.50 62.61 1n62 n PRO 637 Cb 0.35 -2.38 0.46 0.00 -0.02 0.00 0.00 33.50 31.91 1n62 n PRO 637 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n62 h PRO 638 N 3.74 0.43 0.00 0.52 0.11 -2.01 -1.22 132.00 133.57 1n62 h PRO 638 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1n62 h PRO 638 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1n62 h PRO 638 CO 0.72 0.29 0.00 0.09 -0.21 0.00 0.00 178.00 178.88 1n62 n ASN 639 N -4.80 0.00 -4.69 -2.05 5.03 -1.26 -4.87 115.26 102.62 1n62 n ASN 639 Ca 0.28 0.40 -0.26 0.00 0.87 0.00 0.00 54.58 55.87 1n62 n ASN 639 Cb 0.87 -0.47 -0.07 0.00 -1.02 0.00 0.00 39.78 39.10 1n62 n ASN 639 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1n62 s LEU 640 N -2.93 3.40 0.52 3.41 1.43 -0.46 -5.10 118.68 118.96 1n62 s LEU 640 Ca 0.14 -0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.70 1n62 s LEU 640 Cb 0.17 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 1n62 s LEU 640 CO 0.45 0.08 1.06 -1.61 0.23 0.00 0.00 176.35 176.56 1n62 s GLU 641 N -3.01 3.61 1.04 1.70 2.02 -1.26 -4.67 118.70 118.12 1n62 s GLU 641 Ca 0.28 1.35 -0.12 0.00 0.02 0.00 0.00 54.97 56.51 1n62 s GLU 641 Cb -0.09 -2.07 0.21 0.00 0.10 0.00 0.00 34.13 32.28 1n62 s GLU 641 CO 0.20 -0.59 1.08 -2.14 0.02 0.00 0.00 175.26 173.82 1n62 s PRO 642 N -3.47 0.09 0.06 0.39 0.02 -1.26 -4.87 135.00 125.96 1n62 s PRO 642 Ca 0.67 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.72 1n62 s PRO 642 Cb -0.17 -1.66 0.00 0.00 0.02 0.00 0.00 34.50 32.69 1n62 s PRO 642 CO 0.25 -3.10 0.00 0.41 -0.33 0.00 0.00 177.00 174.23 1n62 n GLY 643 N 0.19 -2.44 3.04 0.52 0.00 0.09 -4.95 105.19 101.65 1n62 n GLY 643 Ca 0.06 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 1n62 n GLY 643 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n62 s LEU 644 N 0.00 -1.15 0.20 0.99 2.96 -1.26 -4.82 118.68 115.59 1n62 s LEU 644 Ca 0.00 -0.49 -0.20 0.00 -0.22 0.00 0.00 54.13 53.22 1n62 s LEU 644 Cb 0.00 1.55 0.04 0.00 0.50 0.00 0.00 46.19 48.28 1n62 s LEU 644 CO 0.00 -0.27 0.57 -1.83 -1.32 0.00 0.00 176.35 173.50 1n62 s GLU 645 N 2.28 1.41 0.16 1.98 -1.05 -1.26 -0.75 118.70 121.47 1n62 s GLU 645 Ca 0.13 -0.77 -0.23 0.00 -0.15 0.00 0.00 54.97 53.94 1n62 s GLU 645 Cb -0.10 0.55 0.07 0.00 -0.44 0.00 0.00 34.13 34.21 1n62 s GLU 645 CO -0.19 -0.61 0.63 0.00 0.95 0.00 0.00 175.26 176.05 1n62 s ALA 646 N -3.84 -1.58 0.06 -0.84 0.00 0.24 -4.76 121.76 111.04 1n62 s ALA 646 Ca 0.07 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.53 1n62 s ALA 646 Cb -0.02 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1n62 s ALA 646 CO -0.04 -0.79 -0.16 0.08 0.00 0.00 0.00 175.76 174.84 1n62 s VAL 647 N -3.72 1.26 -0.01 0.00 1.01 -1.26 -0.27 120.40 117.41 1n62 s VAL 647 Ca 0.02 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 60.83 1n62 s VAL 647 Cb -0.02 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1n62 s VAL 647 CO -0.11 -0.04 -0.01 0.21 0.00 0.00 0.00 175.10 175.15 1n62 s ASN 648 N -1.41 0.26 -0.23 3.32 3.84 0.23 -4.76 114.94 116.19 1n62 s ASN 648 Ca 0.02 -0.03 -0.05 0.00 0.21 0.00 0.00 52.86 53.01 1n62 s ASN 648 Cb -0.09 -0.08 -0.02 0.00 -0.55 0.00 0.00 41.25 40.52 1n62 s ASN 648 CO 0.02 -0.02 0.01 -0.31 -2.79 0.00 0.00 177.10 174.01 1n62 s TYR 649 N 0.32 3.01 -0.31 0.43 1.51 -1.26 -1.10 117.35 119.95 1n62 s TYR 649 Ca -0.03 -0.71 -0.07 0.00 -1.01 0.00 0.00 57.07 55.25 1n62 s TYR 649 Cb -0.05 -2.16 0.01 0.00 -0.11 0.00 0.00 41.96 39.65 1n62 s TYR 649 CO -0.01 -0.46 0.10 -0.47 -1.11 0.00 0.00 175.55 173.60 1n62 s TYR 650 N 1.53 3.18 -0.50 2.71 5.04 0.14 -4.94 117.35 124.52 1n62 s TYR 650 Ca 0.06 -1.02 -0.18 0.00 -2.44 0.00 0.00 57.07 53.50 1n62 s TYR 650 Cb -0.15 -2.28 0.07 0.00 0.35 0.00 0.00 41.96 39.95 1n62 s TYR 650 CO -0.00 -0.60 0.53 0.34 -1.34 0.00 0.00 175.55 174.48 1n62 s ASP 651 N 1.50 6.19 0.53 4.32 2.15 -1.26 -2.16 116.67 127.94 1n62 s ASP 651 Ca 0.02 -1.11 -0.21 0.00 0.43 0.00 0.00 52.55 51.68 1n62 s ASP 651 Cb -0.18 -2.25 -0.06 0.00 -0.30 0.00 0.00 42.92 40.14 1n62 s ASP 651 CO 0.03 -0.80 1.19 -2.16 -0.17 0.00 0.00 175.17 173.26 1n62 s PRO 652 N 2.22 3.35 0.37 4.34 0.04 -1.26 -4.91 135.00 139.15 1n62 s PRO 652 Ca 0.10 1.81 0.20 0.00 0.04 0.00 0.00 61.00 63.15 1n62 s PRO 652 Cb -0.22 -2.15 0.23 0.00 0.04 0.00 0.00 34.50 32.41 1n62 s PRO 652 CO 0.09 -0.90 1.52 -1.00 0.04 0.00 0.00 177.00 176.76 1n62 h PRO 653 N 1.42 0.00 -2.76 0.56 0.13 -1.94 -3.25 132.00 126.16 1n62 h PRO 653 Ca -0.50 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 1n62 h PRO 653 Cb 1.27 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.31 1n62 h PRO 653 CO 0.57 0.16 0.31 1.21 -0.23 0.00 0.00 178.00 180.03 1n62 s ASN 654 N -6.25 -0.34 1.08 1.44 3.84 -1.26 -4.85 114.94 108.61 1n62 s ASN 654 Ca 0.06 -0.32 -0.13 0.00 0.21 0.00 0.00 52.86 52.67 1n62 s ASN 654 Cb 0.06 0.60 0.23 0.00 -0.55 0.00 0.00 41.25 41.59 1n62 s ASN 654 CO 0.70 -1.05 1.07 -0.04 -2.79 0.00 0.00 177.10 174.99 1n62 s MET 655 N -3.63 -0.25 0.09 0.43 -1.94 -1.26 -4.77 119.30 107.97 1n62 s MET 655 Ca 0.08 0.50 0.03 0.00 -1.71 0.00 0.00 55.69 54.58 1n62 s MET 655 Cb -0.03 -1.66 -0.04 0.00 2.01 0.00 0.00 34.83 35.11 1n62 s MET 655 CO -0.01 -3.19 0.10 0.95 -0.01 0.00 0.00 175.02 172.86 1n62 s THR 656 N -2.83 4.63 -0.54 2.05 -4.23 0.46 -4.74 115.64 110.44 1n62 s THR 656 Ca 0.67 -0.75 0.06 0.00 -1.18 0.00 0.00 61.69 60.48 1n62 s THR 656 Cb -0.19 -3.25 0.22 0.00 1.34 0.00 0.00 72.50 70.62 1n62 s THR 656 CO 0.59 0.10 0.56 -1.22 -0.54 0.00 0.00 174.62 174.11 1n62 n TYR 657 N 0.36 1.59 -0.92 3.99 4.02 -1.26 -0.58 117.16 124.35 1n62 n TYR 657 Ca -0.08 -3.86 -0.29 0.00 -0.01 0.00 0.00 57.90 53.65 1n62 n TYR 657 Cb 0.52 -0.36 0.18 0.00 -0.02 0.00 0.00 39.34 39.65 1n62 n TYR 657 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1n62 s PRO 658 N -1.45 0.51 0.26 -0.72 0.04 -1.25 -4.71 135.00 127.69 1n62 s PRO 658 Ca 0.34 0.94 -0.08 0.00 0.04 0.00 0.00 61.00 62.24 1n62 s PRO 658 Cb 0.10 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.91 1n62 s PRO 658 CO -0.11 -2.79 0.40 -0.59 0.04 0.00 0.00 177.00 173.96 1n62 s PHE 659 N -2.75 0.71 0.19 0.56 -0.71 -0.65 -0.58 117.98 114.75 1n62 s PHE 659 Ca 0.66 -1.01 -0.23 0.00 -1.04 0.00 0.00 56.93 55.31 1n62 s PHE 659 Cb -0.21 -0.04 0.05 0.00 -1.21 0.00 0.00 43.02 41.61 1n62 s PHE 659 CO 0.59 -0.95 0.71 0.20 -1.34 0.00 0.00 175.22 174.43 1n62 s GLY 660 N -3.10 -0.37 -0.20 1.99 0.00 -0.58 -0.52 107.32 104.55 1n62 s GLY 660 Ca 0.28 0.20 -0.02 0.00 0.00 0.00 0.00 44.72 45.17 1n62 s GLY 660 CO 0.12 0.07 0.03 0.00 0.00 0.00 0.00 173.10 173.32 1n62 s ALA 661 N -3.71 1.14 -0.07 3.20 0.00 -0.01 -1.18 121.76 121.13 1n62 s ALA 661 Ca 0.06 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1n62 s ALA 661 Cb -0.03 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 1n62 s ALA 661 CO -0.04 -1.20 -0.19 0.71 0.00 0.00 0.00 175.76 175.04 1n62 s TYR 662 N 1.79 2.59 -0.02 0.00 1.51 0.48 -1.42 117.35 122.29 1n62 s TYR 662 Ca -0.01 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 55.56 1n62 s TYR 662 Cb -0.17 -1.65 -0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1n62 s TYR 662 CO -0.08 -0.08 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.13 1n62 s PHE 663 N -0.27 0.86 0.02 2.71 0.40 -0.15 -0.83 117.98 120.73 1n62 s PHE 663 Ca 0.01 -0.18 -0.00 0.00 -0.60 0.00 0.00 56.93 56.15 1n62 s PHE 663 Cb -0.13 -0.58 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 1n62 s PHE 663 CO 0.03 -0.05 -0.03 0.00 0.70 0.00 0.00 175.22 175.87 1n62 s ILE 665 N -1.56 2.81 -0.06 0.00 1.01 -0.09 -0.19 121.20 123.11 1n62 s ILE 665 Ca -0.15 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1n62 s ILE 665 Cb -0.09 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.21 1n62 s ILE 665 CO -0.01 0.53 -0.17 -0.32 0.00 0.00 0.00 174.94 174.97 1n62 s MET 666 N 0.44 2.01 -0.08 2.79 1.75 -0.11 0.10 119.30 126.20 1n62 s MET 666 Ca -0.11 -0.60 -0.01 0.00 -1.25 0.00 0.00 55.69 53.72 1n62 s MET 666 Cb -0.16 -1.66 -0.03 0.00 2.84 0.00 0.00 34.83 35.82 1n62 s MET 666 CO 0.05 0.16 -0.04 -0.51 -0.65 0.00 0.00 175.02 174.04 1n62 s ASP 667 N 0.31 4.92 -0.05 1.11 1.01 -0.33 -0.25 116.67 123.38 1n62 s ASP 667 Ca -0.11 0.04 0.02 0.00 0.71 0.00 0.00 52.55 53.22 1n62 s ASP 667 Cb -0.14 -1.35 0.02 0.00 1.01 0.00 0.00 42.92 42.46 1n62 s ASP 667 CO 0.04 0.36 -0.08 -0.63 0.21 0.00 0.00 175.17 175.06 1n62 s ILE 668 N -0.76 0.82 -0.45 0.77 1.01 0.79 -0.08 121.20 123.31 1n62 s ILE 668 Ca 0.12 -0.29 -0.26 0.00 0.00 0.00 0.00 60.65 60.21 1n62 s ILE 668 Cb -0.11 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.59 1n62 s ILE 668 CO 0.02 0.29 0.95 -0.62 0.00 0.00 0.00 174.94 175.58 1n62 s ASP 669 N 0.79 6.55 0.43 3.58 -1.08 -0.12 -0.66 116.67 126.16 1n62 s ASP 669 Ca -0.13 0.25 0.30 0.00 -0.52 0.00 0.00 52.55 52.45 1n62 s ASP 669 Cb -0.15 -2.46 1.19 0.00 -1.46 0.00 0.00 42.92 40.04 1n62 s ASP 669 CO 0.02 -1.04 1.87 -0.37 0.52 0.00 0.00 175.17 176.17 1n62 h VAL 670 N 6.05 0.00 0.00 1.11 -1.51 -1.57 0.20 116.25 120.53 1n62 h VAL 670 Ca -0.24 -0.42 -0.10 0.00 -1.23 0.00 0.00 66.70 64.71 1n62 h VAL 670 Cb 1.07 1.32 -0.02 0.00 -2.13 0.00 0.00 31.29 31.54 1n62 h VAL 670 CO 1.03 0.00 -0.91 0.44 -1.23 0.00 0.00 177.57 176.90 1n62 h ASP 671 N 0.00 0.00 0.00 4.19 3.32 -1.91 -3.36 116.42 118.66 1n62 h ASP 671 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n62 h ASP 671 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1n62 h ASP 671 CO 0.00 0.39 -1.17 0.35 -1.72 0.00 0.00 179.24 177.09 1n62 n THR 672 N -2.98 0.00 -0.87 0.35 -2.24 -1.11 -4.97 114.28 102.46 1n62 n THR 672 Ca -0.03 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1n62 n THR 672 Cb 0.72 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1n62 n THR 672 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n62 n GLY 673 N 1.72 0.86 3.66 3.38 0.00 0.67 -4.47 105.19 111.01 1n62 n GLY 673 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1n62 n GLY 673 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n62 s VAL 674 N -3.37 4.45 -0.07 1.61 1.01 -1.20 -4.10 120.40 118.72 1n62 s VAL 674 Ca 0.00 1.75 -0.03 0.00 0.00 0.00 0.00 61.98 63.69 1n62 s VAL 674 Cb 0.00 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1n62 s VAL 674 CO 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 175.10 175.02 1n62 s ALA 675 N 3.40 3.66 -0.07 5.51 0.00 -1.26 -0.95 121.76 132.05 1n62 s ALA 675 Ca 0.50 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 1n62 s ALA 675 Cb -0.19 -1.73 0.02 0.00 0.00 0.00 0.00 23.12 21.23 1n62 s ALA 675 CO 0.11 0.64 -0.03 0.21 0.00 0.00 0.00 175.76 176.70 1n62 s LYS 676 N -1.28 0.85 0.03 0.00 2.47 0.89 -4.99 119.74 117.72 1n62 s LYS 676 Ca 0.18 -0.03 -0.30 0.00 -1.56 0.00 0.00 55.97 54.25 1n62 s LYS 676 Cb -0.12 -1.03 -0.07 0.00 -1.46 0.00 0.00 37.83 35.15 1n62 s LYS 676 CO 0.08 -0.21 1.59 0.99 0.16 0.00 0.00 175.35 177.95 1n62 s THR 677 N 1.54 3.29 -0.07 3.43 2.01 -1.26 -1.19 115.64 123.39 1n62 s THR 677 Ca -0.01 0.68 -0.06 0.00 0.31 0.00 0.00 61.69 62.61 1n62 s THR 677 Cb -0.13 -3.44 -0.28 0.00 0.01 0.00 0.00 72.50 68.66 1n62 s THR 677 CO -0.04 -0.01 0.57 -0.09 -0.69 0.00 0.00 174.62 174.37 1n62 h ARG 678 N 8.37 0.29 -2.20 4.92 2.43 -0.70 -3.48 114.38 124.02 1n62 h ARG 678 Ca -0.41 -0.50 -0.06 0.00 -0.81 0.00 0.00 59.98 58.20 1n62 h ARG 678 Cb 1.19 0.19 -0.21 0.00 -0.42 0.00 0.00 29.97 30.72 1n62 h ARG 678 CO 0.93 1.18 0.06 0.50 -1.51 0.00 0.00 179.97 181.13 1n62 s ARG 679 N -2.58 0.83 -0.05 0.20 3.52 -1.15 -4.97 118.95 114.75 1n62 s ARG 679 Ca -0.17 0.64 -0.02 0.00 -0.13 0.00 0.00 55.73 56.06 1n62 s ARG 679 Cb 0.06 0.40 0.03 0.00 -1.56 0.00 0.00 34.95 33.88 1n62 s ARG 679 CO 0.82 -0.16 0.05 0.12 -0.81 0.00 0.00 175.30 175.31 1n62 s PHE 680 N -0.20 0.20 -0.13 5.12 2.19 -1.26 -0.91 117.98 122.98 1n62 s PHE 680 Ca -0.04 0.15 -0.00 0.00 0.33 0.00 0.00 56.93 57.37 1n62 s PHE 680 Cb -0.03 -0.56 -0.01 0.00 -1.31 0.00 0.00 43.02 41.11 1n62 s PHE 680 CO 0.04 -0.23 -0.13 -0.47 1.83 0.00 0.00 175.22 176.26 1n62 s TYR 681 N 2.13 2.82 -0.23 10.12 5.04 0.24 -1.36 117.35 136.11 1n62 s TYR 681 Ca 0.05 -0.68 -0.01 0.00 -2.44 0.00 0.00 57.07 54.00 1n62 s TYR 681 Cb -0.12 -1.86 0.06 0.00 0.35 0.00 0.00 41.96 40.39 1n62 s TYR 681 CO -0.04 -0.24 -0.01 0.00 -1.34 0.00 0.00 175.55 173.93 1n62 s ALA 682 N 0.42 1.59 -0.25 3.97 0.00 0.25 -0.97 121.76 126.78 1n62 s ALA 682 Ca -0.10 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 1n62 s ALA 682 Cb -0.16 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1n62 s ALA 682 CO 0.05 -1.23 0.30 -1.17 0.00 0.00 0.00 175.76 173.71 1n62 s LEU 683 N 1.57 4.08 -0.05 0.00 0.20 -0.51 -0.91 118.68 123.07 1n62 s LEU 683 Ca -0.03 0.25 0.05 0.00 0.69 0.00 0.00 54.13 55.10 1n62 s LEU 683 Cb -0.18 -2.32 -0.02 0.00 -0.43 0.00 0.00 46.19 43.24 1n62 s LEU 683 CO -0.08 -0.07 -0.20 -1.81 -0.29 0.00 0.00 176.35 173.90 1n62 s ASP 684 N 1.36 3.54 -0.29 3.68 1.01 -0.62 -0.83 116.67 124.52 1n62 s ASP 684 Ca 0.13 -0.35 0.02 0.00 0.71 0.00 0.00 52.55 53.05 1n62 s ASP 684 Cb -0.15 -0.76 0.08 0.00 1.01 0.00 0.00 42.92 43.10 1n62 s ASP 684 CO 0.08 0.30 0.01 -0.62 0.21 0.00 0.00 175.17 175.15 1n62 s ASP 685 N -0.49 4.27 -0.34 0.27 -1.08 0.33 -3.44 116.67 116.19 1n62 s ASP 685 Ca 0.06 -1.64 0.07 0.00 -0.52 0.00 0.00 52.55 50.52 1n62 s ASP 685 Cb -0.12 -1.31 0.48 0.00 -1.46 0.00 0.00 42.92 40.52 1n62 s ASP 685 CO 0.01 -0.32 1.45 0.00 0.52 0.00 0.00 175.17 176.84 1n62 n GLY 687 N -0.99 0.79 3.75 0.00 0.00 -1.23 -0.68 105.19 106.84 1n62 n GLY 687 Ca 0.39 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1n62 n GLY 687 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n62 s THR 688 N 0.00 2.52 -0.29 2.61 -4.23 -0.77 -4.52 115.64 110.97 1n62 s THR 688 Ca 0.00 0.46 -0.10 0.00 -1.18 0.00 0.00 61.69 60.87 1n62 s THR 688 Cb 0.00 -3.29 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 1n62 s THR 688 CO 0.00 0.08 0.16 -0.13 -0.54 0.00 0.00 174.62 174.19 1n62 s ARG 689 N -0.76 3.72 -0.02 3.99 0.52 -1.26 -4.40 118.95 120.73 1n62 s ARG 689 Ca 0.58 -0.47 -0.23 0.00 -0.52 0.00 0.00 55.73 55.09 1n62 s ARG 689 Cb -0.43 -3.58 -0.21 0.00 0.52 0.00 0.00 34.95 31.26 1n62 s ARG 689 CO 0.47 -0.26 1.15 0.82 0.02 0.00 0.00 175.30 177.51 1n62 h ILE 690 N 5.48 1.47 -2.30 1.52 2.04 -1.93 -3.11 117.51 120.67 1n62 h ILE 690 Ca -0.35 -1.66 -0.37 0.00 1.00 0.00 0.00 64.86 63.47 1n62 h ILE 690 Cb 1.17 2.44 -0.35 0.00 -0.74 0.00 0.00 36.82 39.34 1n62 h ILE 690 CO 0.58 0.46 -0.67 0.21 0.00 0.00 0.00 178.15 178.73 1n62 s ASN 691 N -6.19 2.07 0.47 1.72 3.84 -1.26 0.28 114.94 115.87 1n62 s ASN 691 Ca -0.15 -0.85 0.12 0.00 0.21 0.00 0.00 52.86 52.19 1n62 s ASN 691 Cb 0.02 0.32 1.09 0.00 -0.55 0.00 0.00 41.25 42.13 1n62 s ASN 691 CO 0.74 -0.40 2.10 -0.65 -2.79 0.00 0.00 177.10 176.10 1n62 h PRO 692 N 8.30 0.24 -0.31 0.43 0.11 -1.79 -0.23 132.00 138.75 1n62 h PRO 692 Ca -0.15 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.91 1n62 h PRO 692 Cb 1.06 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1n62 h PRO 692 CO 0.36 0.16 0.07 1.98 -0.21 0.00 0.00 178.00 180.36 1n62 h MET 693 N 0.25 0.51 -0.45 1.05 4.05 -1.92 -1.10 114.93 117.32 1n62 h MET 693 Ca 0.08 -0.13 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 1n62 h MET 693 Cb 0.03 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1n62 h MET 693 CO -0.02 0.58 0.05 0.82 0.23 0.00 0.00 176.91 178.58 1n62 h ILE 694 N 0.34 1.25 -0.43 1.77 2.04 -1.69 -2.08 117.51 118.71 1n62 h ILE 694 Ca 0.10 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 65.03 1n62 h ILE 694 Cb 0.31 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1n62 h ILE 694 CO 0.00 0.33 0.25 0.40 0.00 0.00 0.00 178.15 179.14 1n62 h ILE 695 N 0.62 1.04 -0.61 -0.67 2.04 -0.95 -0.14 117.51 118.84 1n62 h ILE 695 Ca 0.13 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1n62 h ILE 695 Cb 0.42 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1n62 h ILE 695 CO 0.01 0.09 0.33 -0.08 0.00 0.00 0.00 178.15 178.51 1n62 h GLU 696 N 0.51 0.60 -0.81 2.37 4.81 -0.97 -0.46 114.58 120.63 1n62 h GLU 696 Ca 0.17 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1n62 h GLU 696 Cb 0.01 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1n62 h GLU 696 CO -0.08 0.40 0.35 0.78 -0.73 0.00 0.00 179.01 179.72 1n62 h GLY 697 N 0.62 1.28 1.02 1.92 0.00 -0.76 0.56 103.07 107.71 1n62 h GLY 697 Ca 0.27 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1n62 h GLY 697 CO -0.17 0.64 0.56 1.46 0.00 0.00 0.00 176.54 179.02 1n62 h GLN 698 N 1.16 1.28 -0.15 4.80 1.08 -0.06 -1.17 115.11 122.05 1n62 h GLN 698 Ca 0.27 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.32 1n62 h GLN 698 Cb 0.18 -0.27 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 1n62 h GLN 698 CO -0.03 0.90 -0.04 0.28 -0.95 0.00 0.00 178.83 179.00 1n62 h VAL 699 N 1.30 1.29 -0.59 -0.54 2.07 -0.62 0.15 116.25 119.31 1n62 h VAL 699 Ca 0.34 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.92 1n62 h VAL 699 Cb -0.04 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1n62 h VAL 699 CO -0.06 0.29 0.31 0.45 0.02 0.00 0.00 177.57 178.58 1n62 h HIS 700 N -0.01 0.58 -0.30 1.57 3.86 -0.69 0.11 115.15 120.27 1n62 h HIS 700 Ca 0.04 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1n62 h HIS 700 Cb 0.46 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1n62 h HIS 700 CO 0.05 0.28 0.13 0.78 0.86 0.00 0.00 177.93 180.03 1n62 h GLY 701 N 0.59 0.47 1.74 2.45 0.00 -1.03 -2.13 103.07 105.17 1n62 h GLY 701 Ca 0.26 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 1n62 h GLY 701 CO -0.17 0.24 -0.50 -1.33 0.00 0.00 0.00 176.54 174.77 1n62 h GLY 702 N 0.34 0.30 1.43 4.60 0.00 -0.36 -1.92 103.07 107.46 1n62 h GLY 702 Ca 0.10 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1n62 h GLY 702 CO -0.01 0.30 -0.04 1.41 0.00 0.00 0.00 176.54 178.19 1n62 h LEU 703 N 0.22 0.67 -0.56 3.11 3.38 -0.74 0.01 115.31 121.40 1n62 h LEU 703 Ca 0.01 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1n62 h LEU 703 Cb 0.97 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1n62 h LEU 703 CO 0.08 0.77 -0.00 0.74 0.09 0.00 0.00 178.44 180.11 1n62 h THR 704 N 0.64 1.26 -0.51 0.22 2.02 -1.04 0.77 112.91 116.28 1n62 h THR 704 Ca 0.12 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1n62 h THR 704 Cb 0.47 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1n62 h THR 704 CO 0.02 0.40 0.30 -0.33 0.37 0.00 0.00 175.52 176.29 1n62 h GLU 705 N 0.87 0.70 -0.74 6.66 5.08 -0.99 -0.55 114.58 125.61 1n62 h GLU 705 Ca 0.16 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1n62 h GLU 705 Cb 0.54 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1n62 h GLU 705 CO 0.03 0.52 0.46 0.00 -1.00 0.00 0.00 179.01 179.01 1n62 h ALA 706 N 1.14 0.95 -0.27 3.43 0.00 -0.57 0.18 119.26 124.12 1n62 h ALA 706 Ca 0.18 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1n62 h ALA 706 Cb 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1n62 h ALA 706 CO -0.03 0.41 0.02 0.35 0.00 0.00 0.00 179.25 179.99 1n62 h PHE 707 N 1.01 0.02 -0.03 0.00 3.57 -0.69 0.22 116.94 121.06 1n62 h PHE 707 Ca 0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1n62 h PHE 707 Cb -0.05 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1n62 h PHE 707 CO -0.01 -0.02 0.02 0.00 -2.23 0.00 0.00 178.31 176.06 1n62 h ALA 708 N 1.22 0.04 -0.24 2.41 0.00 -0.03 -0.48 119.26 122.18 1n62 h ALA 708 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1n62 h ALA 708 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1n62 h ALA 708 CO -0.20 -0.46 0.10 0.28 0.00 0.00 0.00 179.25 178.97 1n62 h VAL 709 N 0.02 1.16 -0.45 0.00 2.07 -0.46 0.45 116.25 119.04 1n62 h VAL 709 Ca 0.01 -0.46 -0.11 0.00 0.82 0.00 0.00 66.70 66.95 1n62 h VAL 709 Cb 0.01 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1n62 h VAL 709 CO -0.00 0.16 -0.17 0.00 0.02 0.00 0.00 177.57 177.57 1n62 h ALA 710 N 0.96 0.85 -0.00 1.67 0.00 -0.84 -3.34 119.26 118.56 1n62 h ALA 710 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1n62 h ALA 710 Cb 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1n62 h ALA 710 CO -0.01 0.64 -0.71 -1.33 0.00 0.00 0.00 179.25 177.84 1n62 n MET 711 N -4.13 1.43 0.00 0.00 2.00 -0.20 0.01 117.12 116.23 1n62 n MET 711 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 57.70 57.53 1n62 n MET 711 Cb 0.42 -1.31 0.00 0.00 0.00 0.00 0.00 33.22 32.33 1n62 n MET 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1n62 n GLY 712 N 1.37 0.11 3.77 3.03 0.00 -0.14 -2.43 105.19 110.90 1n62 n GLY 712 Ca 0.04 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1n62 n GLY 712 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n62 s GLN 713 N -0.82 4.05 -0.10 1.61 -0.21 0.14 -4.50 119.66 119.83 1n62 s GLN 713 Ca 0.00 2.09 -0.30 0.00 0.02 0.00 0.00 55.36 57.17 1n62 s GLN 713 Cb 0.00 -2.79 0.10 0.00 1.00 0.00 0.00 33.01 31.33 1n62 s GLN 713 CO 0.00 -0.40 0.87 -1.83 -2.12 0.00 0.00 175.29 171.81 1n62 s GLU 714 N -2.18 0.78 -0.13 2.91 -1.05 -1.26 -4.74 118.70 113.04 1n62 s GLU 714 Ca 0.56 0.11 0.03 0.00 -0.15 0.00 0.00 54.97 55.51 1n62 s GLU 714 Cb -0.36 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 33.70 1n62 s GLU 714 CO 0.47 -0.26 -0.22 0.42 0.95 0.00 0.00 175.26 176.62 1n62 s ILE 715 N -1.45 2.15 0.28 1.83 -1.09 -0.40 -4.78 121.20 117.75 1n62 s ILE 715 Ca -0.04 -0.96 0.08 0.00 -2.23 0.00 0.00 60.65 57.50 1n62 s ILE 715 Cb -0.00 -1.85 -0.06 0.00 -1.58 0.00 0.00 42.46 38.97 1n62 s ILE 715 CO 0.02 0.55 -0.09 -0.13 -1.23 0.00 0.00 174.94 174.07 1n62 s ARG 716 N 0.64 1.59 -0.02 2.79 0.52 -0.79 -4.53 118.95 119.15 1n62 s ARG 716 Ca -0.11 -1.79 0.03 0.00 -0.52 0.00 0.00 55.73 53.34 1n62 s ARG 716 Cb -0.16 -1.31 -0.00 0.00 0.52 0.00 0.00 34.95 33.99 1n62 s ARG 716 CO 0.02 0.10 -0.12 0.71 0.02 0.00 0.00 175.30 176.03 1n62 s TYR 717 N -2.88 1.21 0.72 -0.53 1.51 -1.26 0.42 117.35 116.53 1n62 s TYR 717 Ca 0.29 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 56.03 1n62 s TYR 717 Cb 0.02 -0.82 0.11 0.00 -0.11 0.00 0.00 41.96 41.16 1n62 s TYR 717 CO 0.13 -0.09 1.00 0.16 -1.11 0.00 0.00 175.55 175.64 1n62 s ASP 718 N -0.00 4.42 0.62 2.29 1.47 -0.54 -4.89 116.67 120.04 1n62 s ASP 718 Ca -0.01 -0.11 0.35 0.00 1.18 0.00 0.00 52.55 53.96 1n62 s ASP 718 Cb -0.08 -0.36 2.00 0.00 -0.34 0.00 0.00 42.92 44.14 1n62 s ASP 718 CO 0.01 -1.81 2.26 -0.33 0.68 0.00 0.00 175.17 175.98 1n62 h GLU 719 N -0.57 0.00 -0.00 2.11 5.08 -1.99 0.11 114.58 119.32 1n62 h GLU 719 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1n62 h GLU 719 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1n62 h GLU 719 CO 0.45 0.00 -0.16 1.04 -1.00 0.00 0.00 179.01 179.33 1n62 n GLN 720 N -3.55 0.64 -0.76 2.33 3.00 -1.26 -4.75 117.38 113.03 1n62 n GLN 720 Ca -0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 1n62 n GLN 720 Cb 0.12 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.87 1n62 n GLN 720 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n62 n GLY 721 N 1.32 0.61 3.75 1.08 0.00 0.39 -4.54 105.19 107.80 1n62 n GLY 721 Ca 0.13 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1n62 n GLY 721 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n62 s ASN 722 N -2.07 6.90 -0.10 1.61 0.01 -1.26 -4.46 114.94 115.58 1n62 s ASN 722 Ca 0.00 2.48 -0.26 0.00 -0.71 0.00 0.00 52.86 54.37 1n62 s ASN 722 Cb 0.00 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 1n62 s ASN 722 CO 0.00 -0.48 0.85 0.54 -1.51 0.00 0.00 177.10 176.50 1n62 s VAL 723 N -0.46 4.91 -0.06 1.60 0.11 -1.26 -1.47 120.40 123.76 1n62 s VAL 723 Ca 0.53 1.72 0.02 0.00 -2.93 0.00 0.00 61.98 61.32 1n62 s VAL 723 Cb -0.37 -4.17 -0.03 0.00 -1.53 0.00 0.00 36.38 30.28 1n62 s VAL 723 CO 0.43 0.11 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.43 1n62 s LEU 724 N 1.57 2.86 -0.21 2.54 1.43 0.17 -4.64 118.68 122.40 1n62 s LEU 724 Ca 0.42 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1n62 s LEU 724 Cb -0.18 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1n62 s LEU 724 CO 0.18 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.70 1n62 n GLY 725 N 2.42 0.55 2.55 -3.19 0.00 -1.26 -1.88 105.19 104.37 1n62 n GLY 725 Ca -0.17 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 1n62 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 n ALA 726 N 1.04 6.55 -3.67 4.61 0.00 -1.26 -3.21 120.51 124.57 1n62 n ALA 726 Ca -0.02 -4.16 -0.08 0.00 0.00 0.00 0.00 53.44 49.17 1n62 n ALA 726 Cb 0.08 -2.52 -0.02 0.00 0.00 0.00 0.00 19.45 17.00 1n62 n ALA 726 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n62 s SER 727 N -0.21 -0.36 0.00 0.00 1.04 -1.26 -4.48 113.70 108.44 1n62 s SER 727 Ca 0.50 -0.33 0.19 0.00 0.48 0.00 0.00 55.95 56.79 1n62 s SER 727 Cb 0.21 0.62 1.13 0.00 0.10 0.00 0.00 66.02 68.09 1n62 s SER 727 CO -0.13 -1.10 1.55 0.49 0.98 0.00 0.00 173.24 175.03 1n62 n PHE 728 N -0.42 0.00 0.04 5.02 3.72 -1.26 -0.58 117.46 123.98 1n62 n PHE 728 Ca -0.09 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.32 1n62 n PHE 728 Cb 0.61 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.49 1n62 n PHE 728 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1n62 h MET 729 N 0.00 0.44 0.00 -1.08 2.86 -1.95 -3.38 114.93 111.82 1n62 h MET 729 Ca 0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1n62 h MET 729 Cb 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1n62 h MET 729 CO 0.00 0.49 -0.72 -0.25 1.06 0.00 0.00 176.91 177.49 1n62 n ASP 730 N -4.29 3.47 -4.65 1.22 8.00 -0.54 -5.02 116.55 114.74 1n62 n ASP 730 Ca 0.01 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.08 1n62 n ASP 730 Cb 0.24 0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 1n62 n ASP 730 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1n62 s PHE 731 N -1.72 2.28 -0.71 1.24 5.36 0.25 -4.88 117.98 119.81 1n62 s PHE 731 Ca 0.00 0.56 -0.26 0.00 -0.96 0.00 0.00 56.93 56.27 1n62 s PHE 731 Cb 0.00 -3.83 -0.00 0.00 -0.34 0.00 0.00 43.02 38.85 1n62 s PHE 731 CO 0.00 -2.87 1.64 0.12 -1.46 0.00 0.00 175.22 172.65 1n62 s PHE 732 N 4.31 1.95 -0.30 10.12 5.36 -1.26 -4.71 117.98 133.43 1n62 s PHE 732 Ca 0.67 0.37 -0.04 0.00 -0.96 0.00 0.00 56.93 56.97 1n62 s PHE 732 Cb -0.27 -4.31 0.03 0.00 -0.34 0.00 0.00 43.02 38.13 1n62 s PHE 732 CO 0.25 -2.15 0.04 -0.51 -1.46 0.00 0.00 175.22 171.39 1n62 s LEU 733 N 7.75 3.89 0.46 6.12 1.43 -1.26 -4.49 118.68 132.58 1n62 s LEU 733 Ca 0.55 -1.01 -0.23 0.00 -1.03 0.00 0.00 54.13 52.40 1n62 s LEU 733 Cb -0.10 -1.80 -0.07 0.00 0.03 0.00 0.00 46.19 44.26 1n62 s LEU 733 CO 0.14 -0.24 1.21 -2.16 0.23 0.00 0.00 176.35 175.54 1n62 s PRO 734 N 1.38 3.72 0.81 1.29 0.04 -1.26 -5.03 135.00 135.95 1n62 s PRO 734 Ca -0.01 1.90 -0.05 0.00 0.04 0.00 0.00 61.00 62.88 1n62 s PRO 734 Cb -0.18 -2.46 0.17 0.00 0.04 0.00 0.00 34.50 32.06 1n62 s PRO 734 CO 0.00 -0.61 1.11 0.95 0.04 0.00 0.00 177.00 178.49 1n62 s THR 735 N -1.46 2.02 0.55 1.26 -4.23 -1.26 -4.90 115.64 107.62 1n62 s THR 735 Ca 0.63 -0.45 0.22 0.00 -1.18 0.00 0.00 61.69 60.91 1n62 s THR 735 Cb -0.32 -2.56 0.31 0.00 1.34 0.00 0.00 72.50 71.27 1n62 s THR 735 CO 0.39 0.00 2.20 0.00 -0.54 0.00 0.00 174.62 176.66 1n62 h ALA 736 N -0.91 1.79 -0.26 3.99 0.00 -1.96 -1.80 119.26 120.11 1n62 h ALA 736 Ca -0.37 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1n62 h ALA 736 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1n62 h ALA 736 CO 0.36 -0.01 -0.20 0.28 0.00 0.00 0.00 179.25 179.68 1n62 h VAL 737 N 0.00 1.31 0.01 0.00 2.07 -2.02 -3.28 116.25 114.35 1n62 h VAL 737 Ca 0.00 -1.34 -0.20 0.00 0.82 0.00 0.00 66.70 65.99 1n62 h VAL 737 Cb 0.02 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1n62 h VAL 737 CO -0.00 0.42 -0.92 -0.33 0.02 0.00 0.00 177.57 176.76 1n62 h GLU 738 N 0.32 0.09 -6.41 1.57 3.07 -1.80 -3.45 114.58 107.97 1n62 h GLU 738 Ca 0.05 -0.12 -0.54 0.00 -0.50 0.00 0.00 59.36 58.25 1n62 h GLU 738 Cb 0.74 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1n62 h GLU 738 CO 0.05 0.94 0.84 0.99 -1.40 0.00 0.00 179.01 180.43 1n62 s THR 739 N -3.02 3.57 0.86 1.13 2.01 -0.73 -4.95 115.64 114.50 1n62 s THR 739 Ca -0.01 1.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.86 1n62 s THR 739 Cb 0.10 -3.64 0.11 0.00 0.01 0.00 0.00 72.50 69.08 1n62 s THR 739 CO 0.82 0.01 1.16 -2.65 -0.69 0.00 0.00 174.62 173.27 1n62 n PRO 740 N 5.18 -0.11 -2.44 4.92 -0.02 -1.26 -4.96 135.00 136.31 1n62 n PRO 740 Ca 0.13 0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 1n62 n PRO 740 Cb 0.43 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 1n62 n PRO 740 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1n62 s LYS 741 N -4.32 4.57 -0.06 -0.52 1.02 -1.26 -5.03 119.74 114.14 1n62 s LYS 741 Ca 0.70 1.81 -0.01 0.00 0.02 0.00 0.00 55.97 58.50 1n62 s LYS 741 Cb -0.26 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1n62 s LYS 741 CO 0.54 0.07 0.00 -1.58 -0.92 0.00 0.00 175.35 173.46 1n62 s TRP 742 N -0.54 3.13 -0.12 3.18 0.52 -1.26 -4.28 118.94 119.57 1n62 s TRP 742 Ca 0.49 0.16 -0.00 0.00 0.02 0.00 0.00 56.10 56.76 1n62 s TRP 742 Cb -0.32 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 1n62 s TRP 742 CO 0.38 0.46 -0.11 -1.21 0.02 0.00 0.00 176.95 176.49 1n62 s GLU 743 N -1.08 3.27 0.15 4.98 2.02 -0.47 -5.04 118.70 122.53 1n62 s GLU 743 Ca 0.15 -0.65 0.08 0.00 0.02 0.00 0.00 54.97 54.57 1n62 s GLU 743 Cb -0.11 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 1n62 s GLU 743 CO 0.05 0.30 -0.18 0.95 0.02 0.00 0.00 175.26 176.40 1n62 s THR 744 N 0.13 1.72 0.34 3.63 -4.23 -1.26 -0.58 115.64 115.39 1n62 s THR 744 Ca -0.06 -1.83 -0.08 0.00 -1.18 0.00 0.00 61.69 58.54 1n62 s THR 744 Cb -0.15 -1.75 0.02 0.00 1.34 0.00 0.00 72.50 71.96 1n62 s THR 744 CO 0.04 -0.30 0.57 -0.62 -0.54 0.00 0.00 174.62 173.77 1n62 s ASP 745 N -2.53 0.49 0.13 3.99 -1.08 -0.09 -4.89 116.67 112.69 1n62 s ASP 745 Ca 0.13 -1.29 -0.21 0.00 -0.52 0.00 0.00 52.55 50.66 1n62 s ASP 745 Cb -0.06 0.71 0.06 0.00 -1.46 0.00 0.00 42.92 42.16 1n62 s ASP 745 CO 0.06 -1.39 0.53 -0.72 0.52 0.00 0.00 175.17 174.17 1n62 s TYR 746 N -3.01 -0.42 0.36 -5.34 1.13 -1.26 -1.59 117.35 107.22 1n62 s TYR 746 Ca 0.25 0.22 0.05 0.00 -1.41 0.00 0.00 57.07 56.18 1n62 s TYR 746 Cb -0.02 0.44 -0.07 0.00 -1.10 0.00 0.00 41.96 41.21 1n62 s TYR 746 CO 0.16 -0.77 0.05 0.95 -2.51 0.00 0.00 175.55 173.42 1n62 s THR 747 N -3.57 1.40 -0.18 -3.49 -4.23 -1.22 -4.94 115.64 99.41 1n62 s THR 747 Ca 0.01 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1n62 s THR 747 Cb -0.00 -2.82 0.03 0.00 1.34 0.00 0.00 72.50 71.05 1n62 s THR 747 CO -0.11 0.00 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.16 1n62 s VAL 748 N -3.11 1.69 -0.39 2.29 1.01 -1.26 -4.30 120.40 116.32 1n62 s VAL 748 Ca 0.35 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1n62 s VAL 748 Cb 0.09 -1.68 0.13 0.00 0.00 0.00 0.00 36.38 34.91 1n62 s VAL 748 CO 0.16 0.29 0.20 -0.89 0.00 0.00 0.00 175.10 174.85 1n62 s THR 749 N 1.40 0.98 0.77 3.92 2.01 -1.26 -4.95 115.64 118.51 1n62 s THR 749 Ca 0.01 -2.07 -0.14 0.00 0.31 0.00 0.00 61.69 59.80 1n62 s THR 749 Cb -0.15 -1.70 0.06 0.00 0.01 0.00 0.00 72.50 70.72 1n62 s THR 749 CO -0.09 -0.86 1.20 -2.84 -0.69 0.00 0.00 174.62 171.33 1n62 s PRO 750 N 0.84 1.91 -0.12 4.92 0.02 -1.26 -3.52 135.00 137.78 1n62 s PRO 750 Ca 0.16 1.72 -0.29 0.00 0.02 0.00 0.00 61.00 62.60 1n62 s PRO 750 Cb -0.22 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 1n62 s PRO 750 CO -0.06 -2.00 1.25 0.45 -0.33 0.00 0.00 177.00 176.31 1n62 s SER 751 N -2.17 6.97 0.45 2.53 0.15 -0.43 -4.73 113.70 116.48 1n62 s SER 751 Ca 0.73 1.75 0.22 0.00 0.70 0.00 0.00 55.95 59.34 1n62 s SER 751 Cb -0.28 -2.55 1.09 0.00 -1.71 0.00 0.00 66.02 62.58 1n62 s SER 751 CO 0.48 -0.70 1.94 -0.65 1.20 0.00 0.00 173.24 175.51 1n62 h PRO 752 N 7.96 0.00 -0.01 5.44 0.11 -1.89 -2.95 132.00 140.67 1n62 h PRO 752 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1n62 h PRO 752 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1n62 h PRO 752 CO 0.94 0.23 -0.63 -2.39 -0.21 0.00 0.00 178.00 175.93 1n62 n HIS 753 N -3.75 0.00 -3.27 0.65 1.44 -1.26 -4.93 115.22 104.10 1n62 n HIS 753 Ca -0.01 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.34 1n62 n HIS 753 Cb 0.33 -0.06 -0.06 0.00 0.12 0.00 0.00 29.99 30.32 1n62 n HIS 753 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1n62 s HIS 754 N -2.76 3.65 0.43 -1.40 5.04 -1.11 -4.94 115.29 114.20 1n62 s HIS 754 Ca 0.14 1.19 0.16 0.00 -1.54 0.00 0.00 55.06 55.01 1n62 s HIS 754 Cb 0.17 -2.46 1.07 0.00 0.04 0.00 0.00 32.58 31.40 1n62 s HIS 754 CO 0.69 0.43 1.93 -1.35 -2.34 0.00 0.00 174.74 174.09 1n62 h PRO 755 N 3.66 0.38 -0.02 2.88 0.11 -1.89 -0.96 132.00 136.16 1n62 h PRO 755 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1n62 h PRO 755 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1n62 h PRO 755 CO 0.65 0.25 0.00 0.44 -0.21 0.00 0.00 178.00 179.13 1n62 n ILE 756 N -4.47 1.53 -1.01 4.15 -5.35 -1.26 -4.98 119.36 107.97 1n62 n ILE 756 Ca 0.14 -1.72 -0.00 0.00 -0.27 0.00 0.00 62.75 60.90 1n62 n ILE 756 Cb 0.53 0.07 -0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1n62 n ILE 756 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n62 n GLY 757 N -0.99 0.33 3.82 3.28 0.00 -0.36 -4.62 105.19 106.65 1n62 n GLY 757 Ca 0.10 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1n62 n GLY 757 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 s ALA 758 N -1.65 3.62 0.28 4.61 0.00 -1.26 -1.31 121.76 126.04 1n62 s ALA 758 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 51.96 51.98 1n62 s ALA 758 Cb 0.00 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1n62 s ALA 758 CO 0.00 0.43 0.16 0.15 0.00 0.00 0.00 175.76 176.50 1n62 s LYS 759 N -1.24 2.69 0.88 0.00 1.02 0.15 -4.60 119.74 118.63 1n62 s LYS 759 Ca 0.29 -1.23 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 1n62 s LYS 759 Cb -0.18 -2.41 0.12 0.00 -0.52 0.00 0.00 37.83 34.83 1n62 s LYS 759 CO 0.18 0.31 1.10 0.20 -0.92 0.00 0.00 175.35 176.22 1n62 s GLY 760 N -3.83 1.65 0.00 -3.33 0.00 -1.26 -4.80 107.32 95.75 1n62 s GLY 760 Ca 0.34 0.25 0.00 0.00 0.00 0.00 0.00 44.72 45.31 1n62 s GLY 760 CO 0.24 0.68 0.00 1.55 0.00 0.00 0.00 173.10 175.57 1n62 n VAL 761 N -3.93 0.00 0.09 1.40 3.14 -1.26 -4.61 118.33 113.15 1n62 n VAL 761 Ca 0.09 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.55 1n62 n VAL 761 Cb 0.53 0.00 0.54 0.00 -1.06 0.00 0.00 33.84 33.86 1n62 n VAL 761 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1n62 h GLY 762 N 0.00 0.30 0.91 7.55 0.00 -1.93 -1.65 103.07 108.26 1n62 h GLY 762 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1n62 h GLY 762 CO 0.00 0.09 -1.08 1.18 0.00 0.00 0.00 176.54 176.74 1n62 n GLU 763 N -4.49 0.60 -0.29 4.80 1.02 -1.26 -4.38 120.64 116.64 1n62 n GLU 763 Ca 0.02 0.10 0.05 0.00 -0.02 0.00 0.00 57.16 57.31 1n62 n GLU 763 Cb 0.16 -1.80 0.14 0.00 -0.02 0.00 0.00 31.44 29.92 1n62 n GLU 763 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1n62 h SER 764 N 0.00 -0.64 -0.63 1.62 0.02 -1.62 -0.74 113.55 111.55 1n62 h SER 764 Ca 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1n62 h SER 764 Cb 0.99 0.47 -0.03 0.00 0.14 0.00 0.00 62.40 63.98 1n62 h SER 764 CO 0.00 -0.26 0.40 1.55 -1.14 0.00 0.00 176.83 177.38 1n62 h PRO 765 N 0.02 0.85 -0.04 3.45 0.13 -1.76 0.79 132.00 135.44 1n62 h PRO 765 Ca 0.43 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 65.42 1n62 h PRO 765 Cb 0.71 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1n62 h PRO 765 CO -0.82 0.59 -0.25 1.25 -0.23 0.00 0.00 178.00 178.53 1n62 h HIS 766 N 0.87 0.33 -0.20 1.56 2.76 -1.25 0.13 115.15 119.35 1n62 h HIS 766 Ca 0.23 -0.15 0.06 0.00 -2.20 0.00 0.00 60.37 58.31 1n62 h HIS 766 Cb -0.06 -0.05 -0.07 0.00 1.55 0.00 0.00 27.41 28.78 1n62 h HIS 766 CO 0.00 0.89 -0.24 0.28 -1.30 0.00 0.00 177.93 177.55 1n62 h VAL 767 N -0.31 0.40 0.00 5.26 2.07 -0.83 -2.29 116.25 120.55 1n62 h VAL 767 Ca -0.02 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.34 1n62 h VAL 767 Cb 0.92 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1n62 h VAL 767 CO 0.05 0.00 -0.78 1.23 0.02 0.00 0.00 177.57 178.09 1n62 h GLY 768 N -0.27 0.00 1.35 2.17 0.00 -0.94 -3.37 103.07 102.02 1n62 h GLY 768 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.26 1n62 h GLY 768 CO -0.36 0.00 -0.70 -1.33 0.00 0.00 0.00 176.54 174.15 1n62 h GLY 769 N 2.91 0.71 0.92 4.60 0.00 -0.21 -2.84 103.07 109.17 1n62 h GLY 769 Ca -0.01 -0.95 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 1n62 h GLY 769 CO 0.10 0.85 0.08 -2.08 0.00 0.00 0.00 176.54 175.49 1n62 h VAL 770 N 0.46 1.11 0.00 4.60 2.07 -1.59 -0.98 116.25 121.92 1n62 h VAL 770 Ca -0.03 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1n62 h VAL 770 Cb 1.30 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1n62 h VAL 770 CO 0.14 0.11 -0.23 -0.65 0.02 0.00 0.00 177.57 176.95 1n62 h PRO 771 N 0.14 0.00 -0.03 1.57 0.11 -1.75 0.29 132.00 132.33 1n62 h PRO 771 Ca 0.06 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1n62 h PRO 771 Cb 0.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 1n62 h PRO 771 CO -0.01 0.23 0.01 0.00 -0.21 0.00 0.00 178.00 178.02 1n62 h PHE 773 N -0.18 0.34 -0.32 0.00 0.04 -0.85 -0.52 116.94 115.46 1n62 h PHE 773 Ca 0.01 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.64 1n62 h PHE 773 Cb 0.25 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1n62 h PHE 773 CO 0.01 0.40 -0.24 1.03 -0.60 0.00 0.00 178.31 178.91 1n62 h SER 774 N 0.19 0.63 -0.24 2.17 0.87 -0.85 -1.63 113.55 114.70 1n62 h SER 774 Ca 0.07 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 1n62 h SER 774 Cb 0.21 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1n62 h SER 774 CO -0.00 0.86 -0.01 0.78 -0.53 0.00 0.00 176.83 177.93 1n62 h ASN 775 N 0.55 0.51 -0.51 6.23 2.35 0.18 0.27 115.58 125.16 1n62 h ASN 775 Ca 0.08 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1n62 h ASN 775 Cb 0.71 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1n62 h ASN 775 CO 0.05 0.59 -0.01 0.00 -1.65 0.00 0.00 177.43 176.41 1n62 h ALA 776 N 1.48 0.69 -0.15 -0.83 0.00 -0.27 0.35 119.26 120.54 1n62 h ALA 776 Ca 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1n62 h ALA 776 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1n62 h ALA 776 CO 0.01 0.52 -0.00 0.28 0.00 0.00 0.00 179.25 180.06 1n62 h VAL 777 N 0.78 1.26 -0.65 0.00 2.07 -1.09 -0.31 116.25 118.32 1n62 h VAL 777 Ca 0.14 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1n62 h VAL 777 Cb 0.54 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1n62 h VAL 777 CO 0.03 0.25 0.33 0.78 0.02 0.00 0.00 177.57 178.98 1n62 h ASN 778 N 0.00 0.81 -0.52 0.57 2.35 -0.83 -2.33 115.58 115.63 1n62 h ASN 778 Ca 0.04 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 1n62 h ASN 778 Cb 0.38 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1n62 h ASN 778 CO 0.01 0.67 -0.03 -0.78 -1.65 0.00 0.00 177.43 175.65 1n62 h ASP 779 N 0.90 0.95 -0.85 5.81 3.58 -0.03 -2.11 116.42 124.68 1n62 h ASP 779 Ca 0.23 -0.27 0.07 0.00 0.42 0.00 0.00 57.03 57.48 1n62 h ASP 779 Cb 0.06 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 40.79 1n62 h ASP 779 CO -0.03 1.03 0.51 0.00 -2.88 0.00 0.00 179.24 177.86 1n62 h ALA 780 N 1.07 1.18 -0.01 -0.78 0.00 -0.49 -2.15 119.26 118.07 1n62 h ALA 780 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1n62 h ALA 780 Cb 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1n62 h ALA 780 CO 0.03 0.21 -0.04 0.66 0.00 0.00 0.00 179.25 180.11 1n62 n TYR 781 N -4.67 0.00 0.00 0.00 4.01 -1.09 -4.34 117.16 111.07 1n62 n TYR 781 Ca 0.13 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.88 1n62 n TYR 781 Cb 0.22 -0.02 0.33 0.00 -0.31 0.00 0.00 39.34 39.56 1n62 n TYR 781 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1n62 h ALA 782 N 4.24 1.46 0.00 -0.72 0.00 -0.69 -0.13 119.26 123.42 1n62 h ALA 782 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1n62 h ALA 782 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1n62 h ALA 782 CO 0.00 0.39 0.00 0.27 0.00 0.00 0.00 179.25 179.91 1n62 h PHE 783 N 0.51 0.00 -0.40 0.00 -0.00 -1.77 0.42 116.94 115.70 1n62 h PHE 783 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.09 1n62 h PHE 783 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.17 1n62 h PHE 783 CO 0.01 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.60 1n62 n LEU 784 N -2.81 3.32 -3.49 2.10 4.77 -0.10 -4.99 117.00 115.82 1n62 n LEU 784 Ca 0.00 -1.45 -0.19 0.00 -0.03 0.00 0.00 56.01 54.34 1n62 n LEU 784 Cb 0.22 -0.26 0.08 0.00 -2.33 0.00 0.00 43.42 41.13 1n62 n LEU 784 CO 0.22 0.73 0.13 0.59 -1.33 0.00 0.00 177.39 177.73 1n62 n ASN 785 N 1.39 -2.99 0.21 -1.43 3.02 0.14 -4.89 115.26 110.71 1n62 n ASN 785 Ca 0.20 -0.61 0.09 0.00 -0.03 0.00 0.00 54.58 54.22 1n62 n ASN 785 Cb 0.58 -5.04 0.40 0.00 -0.61 0.00 0.00 39.78 35.11 1n62 n ASN 785 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n62 h ALA 786 N 0.93 0.99 -0.33 5.41 0.00 -1.76 -3.49 119.26 121.00 1n62 h ALA 786 Ca -0.59 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1n62 h ALA 786 Cb 1.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1n62 h ALA 786 CO 0.52 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1n62 n GLY 787 N 0.28 -1.61 3.69 0.00 0.00 -1.26 -4.70 105.19 101.59 1n62 n GLY 787 Ca 0.00 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 1n62 n GLY 787 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1n62 s HIS 788 N 0.00 3.07 -0.31 1.61 2.46 -1.26 -4.95 115.29 115.91 1n62 s HIS 788 Ca 0.00 1.03 -0.12 0.00 0.47 0.00 0.00 55.06 56.44 1n62 s HIS 788 Cb 0.00 -3.54 -0.04 0.00 -0.13 0.00 0.00 32.58 28.87 1n62 s HIS 788 CO 0.00 -1.87 0.21 0.42 -2.47 0.00 0.00 174.74 171.03 1n62 s ILE 789 N 2.11 5.30 0.30 0.89 1.01 -1.26 -5.06 121.20 124.49 1n62 s ILE 789 Ca 0.60 0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.96 1n62 s ILE 789 Cb -0.29 -3.61 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 1n62 s ILE 789 CO 0.25 0.14 1.18 -1.10 0.00 0.00 0.00 174.94 175.41 1n62 s GLN 790 N 1.74 4.52 0.80 2.79 -1.52 -1.26 -4.93 119.66 121.79 1n62 s GLN 790 Ca 0.07 1.96 -0.11 0.00 -1.95 0.00 0.00 55.36 55.33 1n62 s GLN 790 Cb -0.17 -3.13 0.07 0.00 -0.22 0.00 0.00 33.01 29.56 1n62 s GLN 790 CO 0.11 0.05 1.09 -1.64 -0.25 0.00 0.00 175.29 174.65 1n62 s MET 791 N -1.60 2.06 0.46 2.91 -1.94 -1.26 -4.58 119.30 115.35 1n62 s MET 791 Ca 0.46 1.14 -0.12 0.00 -1.71 0.00 0.00 55.69 55.47 1n62 s MET 791 Cb -0.35 -1.88 -0.06 0.00 2.01 0.00 0.00 34.83 34.55 1n62 s MET 791 CO 0.45 -1.77 0.86 -1.25 -0.01 0.00 0.00 175.02 173.30 1n62 s PRO 792 N -4.89 3.79 -0.96 2.03 0.04 -1.26 -4.73 135.00 129.02 1n62 s PRO 792 Ca 0.62 0.60 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 1n62 s PRO 792 Cb -0.18 -2.29 0.25 0.00 0.04 0.00 0.00 34.50 32.33 1n62 s PRO 792 CO 0.56 -0.17 2.12 0.72 0.04 0.00 0.00 177.00 180.28 1n62 n HIS 793 N -1.60 2.63 -2.27 0.56 8.25 0.10 -4.80 115.22 118.09 1n62 n HIS 793 Ca 0.04 -2.46 -0.27 0.00 -0.26 0.00 0.00 57.72 54.77 1n62 n HIS 793 Cb 0.54 -1.34 0.15 0.00 1.12 0.00 0.00 29.99 30.46 1n62 n HIS 793 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1n62 s ASP 794 N -0.71 3.66 0.07 0.41 1.47 -1.02 -4.74 116.67 115.82 1n62 s ASP 794 Ca 0.48 -0.09 -0.18 0.00 1.18 0.00 0.00 52.55 53.94 1n62 s ASP 794 Cb 0.28 -0.08 -0.10 0.00 -0.34 0.00 0.00 42.92 42.68 1n62 s ASP 794 CO -0.22 -2.35 1.42 0.00 0.68 0.00 0.00 175.17 174.71 1n62 h ALA 795 N -1.12 0.33 -0.69 2.11 0.00 -1.85 -1.24 119.26 116.80 1n62 h ALA 795 Ca -0.40 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 1n62 h ALA 795 Cb 1.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1n62 h ALA 795 CO 0.38 0.22 0.28 0.11 0.00 0.00 0.00 179.25 180.24 1n62 h TRP 796 N 0.22 1.02 -0.26 0.00 5.08 -1.87 0.13 115.95 120.27 1n62 h TRP 796 Ca 0.05 -0.06 -0.14 0.00 1.08 0.00 0.00 58.89 59.82 1n62 h TRP 796 Cb 0.67 -0.31 -0.01 0.00 -3.00 0.00 0.00 29.16 26.50 1n62 h TRP 796 CO 0.07 0.77 -0.39 0.00 -1.28 0.00 0.00 178.44 177.60 1n62 h ARG 797 N 0.99 0.62 0.00 0.12 3.08 -1.79 -0.45 114.38 116.95 1n62 h ARG 797 Ca 0.23 -0.31 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1n62 h ARG 797 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1n62 h ARG 797 CO -0.02 0.91 -0.68 -0.07 -1.07 0.00 0.00 179.97 179.04 1n62 h LEU 798 N 0.51 0.00 -0.71 3.04 3.38 -0.83 -1.47 115.31 119.23 1n62 h LEU 798 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1n62 h LEU 798 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1n62 h LEU 798 CO 0.08 0.68 0.39 -0.25 0.09 0.00 0.00 178.44 179.43 1n62 h TRP 799 N 0.00 0.98 -0.59 1.13 7.01 -0.52 -2.16 115.95 121.80 1n62 h TRP 799 Ca -0.01 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.88 1n62 h TRP 799 Cb 1.30 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 28.03 1n62 h TRP 799 CO 0.00 0.69 0.02 -0.22 -2.79 0.00 0.00 178.44 176.15 1n62 h LYS 800 N 0.98 1.00 -0.19 2.65 3.64 -0.49 0.22 116.57 124.38 1n62 h LYS 800 Ca 0.25 -0.29 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1n62 h LYS 800 Cb 0.04 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 1n62 h LYS 800 CO -0.04 0.97 -0.21 0.28 -2.27 0.00 0.00 179.45 178.18 1n62 h VAL 801 N 0.93 0.46 -0.64 2.00 2.07 -0.96 -0.69 116.25 119.41 1n62 h VAL 801 Ca 0.17 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.62 1n62 h VAL 801 Cb 0.50 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1n62 h VAL 801 CO 0.02 0.00 0.10 1.23 0.02 0.00 0.00 177.57 178.95 1n62 h GLY 802 N -0.24 1.14 0.47 2.17 0.00 -0.73 -2.06 103.07 103.82 1n62 h GLY 802 Ca 0.12 -0.75 0.05 0.00 0.00 0.00 0.00 47.33 46.75 1n62 h GLY 802 CO -0.33 0.69 -0.09 -2.09 0.00 0.00 0.00 176.54 174.72 1n62 h GLU 803 N 0.99 -0.05 0.00 4.80 4.57 -0.16 -0.30 114.58 124.43 1n62 h GLU 803 Ca 0.20 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.33 1n62 h GLU 803 Cb 0.43 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1n62 h GLU 803 CO 0.01 -0.03 -0.26 1.96 -1.18 0.00 0.00 179.01 179.51 1n62 h GLN 804 N -0.05 0.00 0.00 1.92 4.20 -0.87 -1.70 115.11 118.61 1n62 h GLN 804 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1n62 h GLN 804 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1n62 h GLN 804 CO -0.26 0.26 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 1n62 n LEU 805 N -3.92 0.00 0.00 1.46 4.77 -0.80 -4.90 117.00 113.61 1n62 n LEU 805 Ca -0.02 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1n62 n LEU 805 Cb 0.34 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1n62 n LEU 805 CO 0.35 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1n62 n GLY 806 N 1.26 0.56 0.19 -0.72 0.00 -0.64 -4.93 105.19 100.90 1n62 n GLY 806 Ca 0.07 -0.74 0.14 0.00 0.00 0.00 0.00 46.02 45.49 1n62 n GLY 806 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n62 h LEU 807 N 0.00 0.00 -1.51 0.99 3.38 -1.27 -3.08 115.31 113.83 1n62 h LEU 807 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n62 h LEU 807 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n62 h LEU 807 CO 0.00 0.00 -0.12 1.41 0.09 0.00 0.00 178.44 179.82 1n62 n HIS 808 N -2.59 0.00 0.55 1.13 8.25 -1.26 -5.00 115.22 116.31 1n62 n HIS 808 Ca 0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 1n62 n HIS 808 Cb 0.29 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.66 1n62 n HIS 808 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31