#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n62 h ALA 15 N 0.00 0.61 -0.76 7.54 0.00 -2.02 -2.80 119.26 121.83 1n62 h ALA 15 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1n62 h ALA 15 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1n62 h ALA 15 CO 0.00 0.23 0.39 0.93 0.00 0.00 0.00 179.25 180.80 1n62 h GLU 16 N 0.61 1.07 0.00 0.00 5.08 -2.07 -3.13 114.58 116.15 1n62 h GLU 16 Ca 0.15 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1n62 h GLU 16 Cb 0.22 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1n62 h GLU 16 CO -0.01 0.81 -0.30 0.87 -1.00 0.00 0.00 179.01 179.38 1n62 h LYS 17 N 1.07 0.00 0.13 2.33 1.57 -1.98 -3.39 116.57 116.30 1n62 h LYS 17 Ca 0.27 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1n62 h LYS 17 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1n62 h LYS 17 CO -0.04 0.00 -0.06 1.25 -0.57 0.00 0.00 179.45 180.03 1n62 h LEU 18 N 0.00 -0.14 -1.82 2.94 5.85 -1.44 -3.32 115.31 117.38 1n62 h LEU 18 Ca 0.00 -0.11 -0.46 0.00 0.84 0.00 0.00 57.88 58.15 1n62 h LEU 18 Cb 0.90 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1n62 h LEU 18 CO 0.00 0.02 -0.86 0.00 -0.34 0.00 0.00 178.44 177.26 1n62 n GLN 19 N -5.10 -4.11 0.00 1.25 6.02 -1.26 -0.91 117.38 113.27 1n62 n GLN 19 Ca -0.08 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1n62 n GLN 19 Cb 0.14 -4.86 0.00 0.00 1.02 0.00 0.00 30.24 26.54 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 -1.78 0.85 3.66 1.08 0.00 -1.26 -4.53 105.19 103.22 1n62 n GLY 20 Ca -0.29 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 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 1.88 0.00 1.61 2.81 -1.08 -1.70 117.12 120.64 1n62 n MET 21 Ca 0.00 0.66 0.00 0.00 -1.81 0.00 0.00 57.70 56.55 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 1.04 3.20 3.78 3.03 0.00 0.18 -5.03 105.19 111.40 1n62 n GLY 22 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.76 3.92 -1.99 0.00 5.02 -1.26 -4.28 118.16 118.80 1n62 n LYS 24 Ca 0.09 -3.04 -0.42 0.00 -2.02 0.00 0.00 58.31 52.92 1n62 n LYS 24 Cb 0.50 -2.83 -0.03 0.00 -0.02 0.00 0.00 35.03 32.66 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 0.62 4.24 0.51 1.97 3.52 -1.26 -4.93 118.95 123.63 1n62 s ARG 25 Ca 0.54 2.29 -0.19 0.00 -0.13 0.00 0.00 55.73 58.24 1n62 s ARG 25 Cb 0.16 -3.17 -0.07 0.00 -1.56 0.00 0.00 34.95 30.31 1n62 s ARG 25 CO -0.06 -0.55 1.05 0.15 -0.81 0.00 0.00 175.30 175.08 1n62 s LYS 26 N 0.92 3.65 0.09 5.12 -0.14 -1.26 -4.91 119.74 123.21 1n62 s LYS 26 Ca 0.67 1.35 -0.30 0.00 -1.36 0.00 0.00 55.97 56.34 1n62 s LYS 26 Cb -0.42 -2.07 -0.05 0.00 -1.68 0.00 0.00 37.83 33.60 1n62 s LYS 26 CO 0.33 -0.55 0.95 1.03 -0.76 0.00 0.00 175.35 176.34 1n62 s ARG 27 N -3.42 4.66 0.35 1.68 0.52 -1.26 -4.92 118.95 116.55 1n62 s ARG 27 Ca 0.67 1.42 0.12 0.00 -0.52 0.00 0.00 55.73 57.42 1n62 s ARG 27 Cb -0.17 -3.39 0.63 0.00 0.52 0.00 0.00 34.95 32.55 1n62 s ARG 27 CO 0.24 0.18 1.78 -0.39 0.02 0.00 0.00 175.30 177.13 1n62 h VAL 28 N 4.16 1.31 0.00 3.52 -1.51 -1.91 -2.82 116.25 119.00 1n62 h VAL 28 Ca -0.43 -1.47 -0.03 0.00 -1.23 0.00 0.00 66.70 63.55 1n62 h VAL 28 Cb 1.21 1.79 -0.00 0.00 -2.13 0.00 0.00 31.29 32.15 1n62 h VAL 28 CO 0.72 0.42 -0.15 -0.33 -1.23 0.00 0.00 177.57 177.00 1n62 h GLU 29 N 0.01 0.00 0.00 5.19 3.07 -1.92 -3.05 114.58 117.87 1n62 h GLU 29 Ca -0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1n62 h GLU 29 Cb 0.76 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1n62 h GLU 29 CO 0.06 0.15 -0.28 -0.44 -1.40 0.00 0.00 179.01 177.09 1n62 h ASP 30 N 0.00 0.00 -0.01 1.42 3.32 -1.90 -2.12 116.42 117.13 1n62 h ASP 30 Ca -0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1n62 h ASP 30 Cb 0.35 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1n62 h ASP 30 CO 0.02 0.28 -0.12 0.40 -1.72 0.00 0.00 179.24 178.11 1n62 h ILE 31 N 0.00 0.71 -0.15 0.35 1.08 -1.71 -0.61 117.51 117.16 1n62 h ILE 31 Ca -0.00 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.25 1n62 h ILE 31 Cb 0.59 0.71 0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1n62 h ILE 31 CO 0.04 0.00 -0.77 0.08 -0.69 0.00 0.00 178.15 176.81 1n62 h ARG 32 N -0.19 0.77 -0.18 2.37 0.11 -1.71 -3.27 114.38 112.29 1n62 h ARG 32 Ca 0.05 -0.63 -0.13 0.00 0.10 0.00 0.00 59.98 59.37 1n62 h ARG 32 Cb 0.25 0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 1n62 h ARG 32 CO -0.12 1.24 -0.43 0.74 0.10 0.00 0.00 179.97 181.49 1n62 h PHE 33 N 0.53 0.50 0.00 4.08 0.04 -1.16 0.91 116.94 121.85 1n62 h PHE 33 Ca -0.05 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.57 1n62 h PHE 33 Cb 1.40 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1n62 h PHE 33 CO 0.08 0.78 0.00 0.25 -0.60 0.00 0.00 178.31 178.83 1n62 n THR 34 N -4.01 0.71 -0.05 -1.55 -2.24 -0.26 -2.52 114.28 104.36 1n62 n THR 34 Ca -0.02 0.18 0.04 0.00 -2.27 0.00 0.00 64.05 61.98 1n62 n THR 34 Cb 0.52 -0.86 0.09 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.49 2.46 -1.53 -0.78 6.02 -0.59 -4.97 117.38 116.49 1n62 n GLN 35 Ca 0.05 -1.72 -0.09 0.00 -0.01 0.00 0.00 57.00 55.22 1n62 n GLN 35 Cb 0.22 -1.17 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 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 0.22 0.76 0.79 1.08 0.00 -0.89 -4.90 105.19 102.25 1n62 n GLY 36 Ca 0.07 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.49 2.66 -0.58 1.61 4.76 0.21 -4.94 118.16 119.40 1n62 n LYS 37 Ca -0.09 -2.82 -0.30 0.00 -2.87 0.00 0.00 58.31 52.22 1n62 n LYS 37 Cb 0.38 -1.80 0.21 0.00 -1.84 0.00 0.00 35.03 31.98 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 -1.38 2.75 0.72 0.00 -1.21 -4.79 105.19 100.61 1n62 n GLY 38 Ca 0.21 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.45 3.88 0.32 1.61 2.47 -1.26 -5.04 114.94 114.47 1n62 s ASN 39 Ca 0.67 -2.27 0.05 0.00 0.42 0.00 0.00 52.86 51.72 1n62 s ASN 39 Cb -0.24 -1.04 -0.02 0.00 -1.45 0.00 0.00 41.25 38.51 1n62 s ASN 39 CO 0.62 -0.32 0.47 -0.31 -3.72 0.00 0.00 177.10 173.84 1n62 s TYR 40 N 0.80 3.27 0.21 0.43 1.51 -1.26 -0.74 117.35 121.57 1n62 s TYR 40 Ca 0.14 -0.05 -0.10 0.00 -1.01 0.00 0.00 57.07 56.06 1n62 s TYR 40 Cb -0.22 -1.90 0.29 0.00 -0.11 0.00 0.00 41.96 40.02 1n62 s TYR 40 CO -0.08 0.09 1.73 0.28 -1.11 0.00 0.00 175.55 176.45 1n62 h VAL 41 N 0.89 0.72 0.00 0.71 2.07 -1.94 0.25 116.25 118.95 1n62 h VAL 41 Ca -0.48 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1n62 h VAL 41 Cb 1.24 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1n62 h VAL 41 CO 0.57 0.06 0.00 -0.67 0.02 0.00 0.00 177.57 177.55 1n62 n ASP 42 N -5.05 0.00 0.10 0.57 2.03 -1.26 -1.14 116.55 111.81 1n62 n ASP 42 Ca 0.09 -0.06 0.13 0.00 0.52 0.00 0.00 54.79 55.47 1n62 n ASP 42 Cb 0.30 -0.27 0.41 0.00 -0.72 0.00 0.00 41.12 40.83 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 -1.27 0.80 -4.74 1.67 8.00 0.86 -4.83 116.55 117.04 1n62 n ASP 43 Ca 0.11 0.58 -0.41 0.00 0.71 0.00 0.00 54.79 55.77 1n62 n ASP 43 Cb 0.17 -0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 40.45 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 -3.10 3.59 -0.06 2.53 1.01 -0.29 -4.98 120.40 119.11 1n62 s VAL 44 Ca 0.11 1.33 -0.01 0.00 0.00 0.00 0.00 61.98 63.41 1n62 s VAL 44 Cb 0.12 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1n62 s VAL 44 CO 0.59 0.21 0.02 -0.54 0.00 0.00 0.00 175.10 175.39 1n62 s LYS 45 N -0.23 0.34 0.19 2.72 1.02 -1.26 -5.08 119.74 117.45 1n62 s LYS 45 Ca 0.53 0.19 0.11 0.00 0.02 0.00 0.00 55.97 56.82 1n62 s LYS 45 Cb -0.32 -0.76 -0.04 0.00 -0.52 0.00 0.00 37.83 36.18 1n62 s LYS 45 CO 0.36 -0.29 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.76 1n62 s LEU 46 N 1.91 2.43 0.27 3.17 1.43 -1.26 -5.08 118.68 121.55 1n62 s LEU 46 Ca 0.03 -0.86 -0.31 0.00 -1.03 0.00 0.00 54.13 51.96 1n62 s LEU 46 Cb -0.12 -1.12 -0.12 0.00 0.03 0.00 0.00 46.19 44.85 1n62 s LEU 46 CO -0.04 0.10 1.60 -2.65 0.23 0.00 0.00 176.35 175.59 1n62 n PRO 47 N 0.29 2.62 -0.94 1.29 -0.02 -1.26 -1.72 135.00 135.26 1n62 n PRO 47 Ca -0.13 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1n62 n PRO 47 Cb 0.56 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 2.50 0.66 3.72 -1.23 0.00 -1.26 -4.53 105.19 105.05 1n62 n GLY 48 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.27 4.27 0.50 1.61 0.00 -0.70 -4.26 119.30 120.45 1n62 s MET 49 Ca 0.00 2.22 0.09 0.00 0.00 0.00 0.00 55.69 58.00 1n62 s MET 49 Cb 0.00 -3.19 0.05 0.00 0.00 0.00 0.00 34.83 31.69 1n62 s MET 49 CO 0.00 -0.51 0.68 -0.51 0.00 0.00 0.00 175.02 174.68 1n62 s LEU 50 N 0.99 3.35 -0.05 4.11 1.43 0.48 -4.90 118.68 124.09 1n62 s LEU 50 Ca 0.67 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1n62 s LEU 50 Cb -0.40 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1n62 s LEU 50 CO 0.32 -1.07 -0.14 0.12 0.23 0.00 0.00 176.35 175.80 1n62 s PHE 51 N -2.52 1.54 0.07 0.29 2.19 0.31 -0.34 117.98 119.51 1n62 s PHE 51 Ca 0.58 -0.49 0.09 0.00 0.33 0.00 0.00 56.93 57.44 1n62 s PHE 51 Cb -0.08 -1.08 -0.03 0.00 -1.31 0.00 0.00 43.02 40.53 1n62 s PHE 51 CO 0.36 -0.20 -0.23 0.20 1.83 0.00 0.00 175.22 177.17 1n62 s GLY 52 N 0.29 1.30 0.31 13.12 0.00 0.70 -0.23 107.32 122.80 1n62 s GLY 52 Ca -0.08 -1.22 -0.17 0.00 0.00 0.00 0.00 44.72 43.25 1n62 s GLY 52 CO 0.03 -1.16 0.69 -0.35 0.00 0.00 0.00 173.10 172.30 1n62 s ASP 53 N -1.48 -0.10 -0.03 1.64 2.15 -0.25 -4.35 116.67 114.26 1n62 s ASP 53 Ca 0.10 -0.85 -0.05 0.00 0.43 0.00 0.00 52.55 52.18 1n62 s ASP 53 Cb -0.10 0.73 -0.04 0.00 -0.30 0.00 0.00 42.92 43.22 1n62 s ASP 53 CO 0.03 -1.40 0.20 -0.36 -0.17 0.00 0.00 175.17 173.47 1n62 s PHE 54 N -3.47 3.57 -0.02 -5.34 0.08 -1.26 -0.44 117.98 111.10 1n62 s PHE 54 Ca 0.15 0.47 -0.30 0.00 0.12 0.00 0.00 56.93 57.37 1n62 s PHE 54 Cb -0.05 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 1n62 s PHE 54 CO 0.09 0.66 1.05 0.08 -0.10 0.00 0.00 175.22 177.00 1n62 s VAL 55 N -1.24 4.65 0.19 -0.44 1.01 0.39 -4.95 120.40 120.01 1n62 s VAL 55 Ca 0.24 1.91 0.10 0.00 0.00 0.00 0.00 61.98 64.23 1n62 s VAL 55 Cb -0.13 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1n62 s VAL 55 CO 0.14 0.09 -0.20 -0.13 0.00 0.00 0.00 175.10 175.01 1n62 s ARG 56 N 1.41 1.39 0.19 2.72 0.52 -1.26 -0.11 118.95 123.81 1n62 s ARG 56 Ca 0.53 -1.50 -0.30 0.00 -0.52 0.00 0.00 55.73 53.94 1n62 s ARG 56 Cb -0.22 -1.51 -0.08 0.00 0.52 0.00 0.00 34.95 33.66 1n62 s ARG 56 CO 0.25 0.31 1.21 0.45 0.02 0.00 0.00 175.30 177.53 1n62 s SER 57 N -2.82 7.07 0.03 0.23 0.15 0.95 -4.79 113.70 114.53 1n62 s SER 57 Ca 0.19 2.25 0.26 0.00 0.70 0.00 0.00 55.95 59.36 1n62 s SER 57 Cb -0.06 -2.61 0.75 0.00 -1.71 0.00 0.00 66.02 62.39 1n62 s SER 57 CO 0.09 -0.38 1.60 -1.54 1.20 0.00 0.00 173.24 174.20 1n62 n SER 58 N 2.49 0.39 -4.62 5.45 3.41 -1.26 0.14 113.62 119.62 1n62 n SER 58 Ca 0.04 0.12 -0.32 0.00 -0.26 0.00 0.00 58.87 58.46 1n62 n SER 58 Cb 0.44 -0.10 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 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 -3.03 2.90 0.12 7.33 3.76 -1.26 -4.87 115.29 120.24 1n62 s HIS 59 Ca 0.11 -0.04 -0.01 0.00 -0.15 0.00 0.00 55.06 54.97 1n62 s HIS 59 Cb 0.17 -1.58 -0.15 0.00 1.11 0.00 0.00 32.58 32.13 1n62 s HIS 59 CO 0.64 0.41 1.26 0.00 -0.85 0.00 0.00 174.74 176.20 1n62 h ALA 60 N 4.20 0.31 -1.72 -1.40 0.00 -1.81 -3.22 119.26 115.62 1n62 h ALA 60 Ca -0.48 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 53.61 1n62 h ALA 60 Cb 1.17 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.67 1n62 h ALA 60 CO 0.55 0.95 -0.32 -1.58 0.00 0.00 0.00 179.25 178.85 1n62 s HIS 61 N -2.96 -1.19 -0.10 0.00 2.46 -1.26 -1.99 115.29 110.25 1n62 s HIS 61 Ca -0.04 1.56 -0.30 0.00 0.47 0.00 0.00 55.06 56.75 1n62 s HIS 61 Cb 0.09 0.41 0.11 0.00 -0.13 0.00 0.00 32.58 33.06 1n62 s HIS 61 CO 0.86 -0.72 0.90 0.00 -2.47 0.00 0.00 174.74 173.30 1n62 s ALA 62 N 2.73 -1.87 0.23 1.58 0.00 -0.92 -0.90 121.76 122.62 1n62 s ALA 62 Ca 0.09 1.38 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 1n62 s ALA 62 Cb -0.14 -0.28 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 1n62 s ALA 62 CO -0.18 -0.42 0.94 1.03 0.00 0.00 0.00 175.76 177.13 1n62 s ARG 63 N -1.63 4.84 -0.56 0.00 0.52 0.12 -0.61 118.95 121.63 1n62 s ARG 63 Ca -0.02 1.48 -0.24 0.00 -0.52 0.00 0.00 55.73 56.43 1n62 s ARG 63 Cb -0.00 -3.28 0.05 0.00 0.52 0.00 0.00 34.95 32.23 1n62 s ARG 63 CO 0.01 0.51 0.93 0.42 0.02 0.00 0.00 175.30 177.18 1n62 s ILE 64 N -1.12 4.40 0.07 1.52 1.01 0.16 -0.39 121.20 126.85 1n62 s ILE 64 Ca 0.41 0.16 -0.16 0.00 0.00 0.00 0.00 60.65 61.06 1n62 s ILE 64 Cb -0.26 -4.55 -0.14 0.00 0.01 0.00 0.00 42.46 37.52 1n62 s ILE 64 CO 0.32 -1.15 1.31 0.11 0.00 0.00 0.00 174.94 175.53 1n62 h LYS 65 N 9.34 0.61 -2.08 2.79 6.56 -0.42 -3.46 116.57 129.91 1n62 h LYS 65 Ca -0.27 -0.41 -0.05 0.00 -1.06 0.00 0.00 60.65 58.86 1n62 h LYS 65 Cb 1.07 0.06 -0.21 0.00 -0.57 0.00 0.00 32.23 32.59 1n62 h LYS 65 CO 1.10 1.03 0.11 0.45 -2.06 0.00 0.00 179.45 180.08 1n62 s SER 66 N -6.64 -0.69 -0.20 0.86 0.15 -1.18 -4.98 113.70 101.03 1n62 s SER 66 Ca -0.12 1.19 0.01 0.00 0.70 0.00 0.00 55.95 57.73 1n62 s SER 66 Cb 0.07 1.16 0.03 0.00 -1.71 0.00 0.00 66.02 65.57 1n62 s SER 66 CO 0.83 -0.34 -0.17 -0.63 1.20 0.00 0.00 173.24 174.13 1n62 s ILE 67 N -0.07 2.03 -0.43 6.45 1.01 -1.26 -0.87 121.20 128.07 1n62 s ILE 67 Ca -0.03 -1.08 -0.15 0.00 0.00 0.00 0.00 60.65 59.39 1n62 s ILE 67 Cb -0.04 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.55 1n62 s ILE 67 CO 0.03 0.39 0.32 -0.62 0.00 0.00 0.00 174.94 175.06 1n62 s ASP 68 N 1.27 6.11 0.00 3.58 -1.08 0.21 -4.89 116.67 121.86 1n62 s ASP 68 Ca 0.02 -1.03 0.19 0.00 -0.52 0.00 0.00 52.55 51.21 1n62 s ASP 68 Cb -0.15 -2.16 0.24 0.00 -1.46 0.00 0.00 42.92 39.39 1n62 s ASP 68 CO -0.11 -0.50 1.18 0.35 0.52 0.00 0.00 175.17 176.61 1n62 n THR 69 N 5.17 0.22 -0.11 1.71 -2.24 -1.26 -1.72 114.28 116.04 1n62 n THR 69 Ca -0.11 -0.61 -0.08 0.00 -2.27 0.00 0.00 64.05 60.97 1n62 n THR 69 Cb 0.46 1.20 -0.01 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 3.72 0.43 0.06 3.42 4.64 -1.90 0.01 113.55 123.93 1n62 h SER 70 Ca 0.00 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1n62 h SER 70 Cb 0.82 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1n62 h SER 70 CO 0.00 0.33 -0.26 0.11 -0.87 0.00 0.00 176.83 176.14 1n62 h LYS 71 N 0.49 0.33 -0.13 4.77 1.57 -1.83 -1.61 116.57 120.17 1n62 h LYS 71 Ca 0.13 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1n62 h LYS 71 Cb -0.03 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1n62 h LYS 71 CO -0.03 0.58 -0.14 0.00 -0.57 0.00 0.00 179.45 179.29 1n62 h ALA 72 N 1.43 0.19 -0.39 3.86 0.00 -1.68 -2.57 119.26 120.11 1n62 h ALA 72 Ca 0.05 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1n62 h ALA 72 Cb 0.63 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1n62 h ALA 72 CO 0.05 0.07 0.26 0.87 0.00 0.00 0.00 179.25 180.49 1n62 h LYS 73 N -0.07 0.50 0.00 0.00 1.57 -0.84 -1.28 116.57 116.45 1n62 h LYS 73 Ca 0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1n62 h LYS 73 Cb 0.68 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1n62 h LYS 73 CO 0.03 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 179.25 1n62 n ALA 74 N -2.48 2.24 -2.14 3.86 0.00 -0.62 -4.76 120.51 116.61 1n62 n ALA 74 Ca 0.03 -0.06 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 1n62 n ALA 74 Cb 0.07 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 1n62 n ALA 74 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1n62 s LEU 75 N -3.59 4.42 0.33 0.00 2.96 -0.48 -4.93 118.68 117.38 1n62 s LEU 75 Ca 0.12 2.22 -0.29 0.00 -0.22 0.00 0.00 54.13 55.96 1n62 s LEU 75 Cb 0.16 -3.60 -0.12 0.00 0.50 0.00 0.00 46.19 43.13 1n62 s LEU 75 CO 0.53 -0.44 1.40 -2.65 -1.32 0.00 0.00 176.35 173.87 1n62 n PRO 76 N 2.97 2.31 -0.38 0.98 -0.02 -1.26 -1.89 135.00 137.71 1n62 n PRO 76 Ca 0.06 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1n62 n PRO 76 Cb 0.45 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1n62 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n62 n GLY 77 N 1.13 1.06 3.69 -1.23 0.00 -1.26 -4.98 105.19 103.60 1n62 n GLY 77 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.93 5.18 -0.10 1.61 1.01 -0.79 -0.40 120.40 123.96 1n62 s VAL 78 Ca 0.00 0.85 0.16 0.00 0.00 0.00 0.00 61.98 62.98 1n62 s VAL 78 Cb 0.00 -3.78 -0.23 0.00 0.00 0.00 0.00 36.38 32.37 1n62 s VAL 78 CO 0.00 0.26 0.19 0.49 0.00 0.00 0.00 175.10 176.05 1n62 n PHE 79 N 4.24 0.00 -3.55 5.22 3.01 0.17 -4.92 117.46 121.63 1n62 n PHE 79 Ca -0.07 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.23 1n62 n PHE 79 Cb 0.51 -0.63 -0.06 0.00 -0.01 0.00 0.00 39.48 39.29 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 -2.74 -1.79 -0.26 4.37 0.00 -1.02 -4.99 121.76 115.33 1n62 s ALA 80 Ca -0.07 1.49 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 1n62 s ALA 80 Cb 0.07 -0.32 0.08 0.00 0.00 0.00 0.00 23.12 22.96 1n62 s ALA 80 CO 0.69 -0.36 0.06 0.08 0.00 0.00 0.00 175.76 176.23 1n62 s VAL 81 N -0.86 0.84 0.17 0.00 1.01 -1.26 -0.36 120.40 119.94 1n62 s VAL 81 Ca -0.08 -1.09 -0.23 0.00 0.00 0.00 0.00 61.98 60.58 1n62 s VAL 81 Cb -0.01 -1.47 -0.08 0.00 0.00 0.00 0.00 36.38 34.82 1n62 s VAL 81 CO 0.07 -0.44 0.74 -0.76 0.00 0.00 0.00 175.10 174.71 1n62 s LEU 82 N 1.67 4.52 0.42 3.92 1.43 0.46 -4.89 118.68 126.21 1n62 s LEU 82 Ca 0.04 1.55 0.03 0.00 -1.03 0.00 0.00 54.13 54.72 1n62 s LEU 82 Cb -0.17 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 1n62 s LEU 82 CO -0.17 0.17 0.09 0.42 0.23 0.00 0.00 176.35 177.09 1n62 s THR 83 N -1.25 0.81 0.49 5.49 -4.23 -1.26 -0.71 115.64 114.98 1n62 s THR 83 Ca 0.37 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.10 1n62 s THR 83 Cb -0.21 -2.39 0.39 0.00 1.34 0.00 0.00 72.50 71.63 1n62 s THR 83 CO 0.24 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.27 1n62 h ALA 84 N 1.75 2.38 0.00 3.99 0.00 -1.77 0.11 119.26 125.71 1n62 h ALA 84 Ca -0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1n62 h ALA 84 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1n62 h ALA 84 CO 0.62 -0.56 -0.08 0.00 0.00 0.00 0.00 179.25 179.23 1n62 h ALA 85 N 1.68 1.29 0.01 0.00 0.00 -1.94 0.41 119.26 120.72 1n62 h ALA 85 Ca 0.32 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.94 1n62 h ALA 85 Cb 1.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1n62 h ALA 85 CO -0.05 0.10 -1.09 -0.44 0.00 0.00 0.00 179.25 177.77 1n62 h ASP 86 N 0.00 0.03 0.32 0.00 3.32 -1.36 -3.36 116.42 115.36 1n62 h ASP 86 Ca -0.00 -0.03 -0.33 0.00 0.02 0.00 0.00 57.03 56.69 1n62 h ASP 86 Cb 0.25 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.80 1n62 h ASP 86 CO 0.01 1.03 -1.60 -0.07 -1.72 0.00 0.00 179.24 176.89 1n62 h LEU 87 N 0.01 0.58 -0.99 1.55 3.38 -0.87 -3.38 115.31 115.59 1n62 h LEU 87 Ca -0.05 -0.77 0.11 0.00 0.09 0.00 0.00 57.88 57.26 1n62 h LEU 87 Cb 1.81 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 42.23 1n62 h LEU 87 CO 0.13 1.64 -0.50 0.29 0.09 0.00 0.00 178.44 180.08 1n62 n LYS 88 N -3.57 -0.35 -0.24 1.13 5.02 -0.49 -1.16 118.16 118.50 1n62 n LYS 88 Ca -0.19 1.50 0.29 0.00 -2.02 0.00 0.00 58.31 57.89 1n62 n LYS 88 Cb 1.07 -2.22 0.70 0.00 -0.02 0.00 0.00 35.03 34.56 1n62 n LYS 88 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1n62 h PRO 89 N 0.00 0.06 -0.13 1.97 0.13 -1.78 0.93 132.00 133.18 1n62 h PRO 89 Ca 0.23 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1n62 h PRO 89 Cb 0.48 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1n62 h PRO 89 CO -0.95 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 178.14 1n62 n LEU 90 N -4.29 1.94 -3.90 1.56 4.77 -0.31 -4.93 117.00 111.84 1n62 n LEU 90 Ca 0.21 -0.75 -0.30 0.00 -0.03 0.00 0.00 56.01 55.14 1n62 n LEU 90 Cb 1.02 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 42.06 1n62 n LEU 90 CO 0.38 0.38 0.10 -3.20 -1.33 0.00 0.00 177.39 173.71 1n62 n ASN 91 N 0.50 -4.63 -0.04 -1.43 4.05 0.32 -4.91 115.26 109.12 1n62 n ASN 91 Ca 0.17 -0.78 0.03 0.00 0.45 0.00 0.00 54.58 54.46 1n62 n ASN 91 Cb 0.39 -3.91 0.05 0.00 1.23 0.00 0.00 39.78 37.54 1n62 n ASN 91 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1n62 n LEU 92 N -4.67 1.92 0.12 1.20 4.77 -0.41 -4.66 117.00 115.27 1n62 n LEU 92 Ca 0.02 -2.20 0.13 0.00 -0.03 0.00 0.00 56.01 53.93 1n62 n LEU 92 Cb 0.53 -0.14 0.45 0.00 -2.33 0.00 0.00 43.42 41.93 1n62 n LEU 92 CO 0.75 0.53 0.88 0.00 -1.33 0.00 0.00 177.39 178.21 1n62 n HIS 93 N -0.76 0.92 -4.33 -1.77 1.44 -1.22 -4.60 115.22 104.90 1n62 n HIS 93 Ca 0.05 0.31 -0.22 0.00 -2.01 0.00 0.00 57.72 55.86 1n62 n HIS 93 Cb 0.41 -1.01 -0.11 0.00 0.12 0.00 0.00 29.99 29.40 1n62 n HIS 93 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1n62 s TYR 94 N -3.22 1.80 0.08 -1.40 2.02 -1.26 -0.42 117.35 114.95 1n62 s TYR 94 Ca 0.07 -0.47 0.07 0.00 -0.37 0.00 0.00 57.07 56.38 1n62 s TYR 94 Cb 0.11 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.73 1n62 s TYR 94 CO 0.50 0.32 -0.20 0.00 -1.57 0.00 0.00 175.55 174.60 1n62 s MET 95 N -2.76 1.13 0.70 -0.62 0.23 0.01 -4.85 119.30 113.14 1n62 s MET 95 Ca 0.15 -1.07 -0.15 0.00 -1.03 0.00 0.00 55.69 53.59 1n62 s MET 95 Cb -0.06 -1.32 0.02 0.00 -1.53 0.00 0.00 34.83 31.95 1n62 s MET 95 CO 0.06 0.31 1.16 -1.25 -2.03 0.00 0.00 175.02 173.28 1n62 s PRO 96 N -1.69 2.42 0.39 3.16 0.04 -1.26 -0.53 135.00 137.52 1n62 s PRO 96 Ca 0.05 1.59 0.08 0.00 0.04 0.00 0.00 61.00 62.76 1n62 s PRO 96 Cb -0.10 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1n62 s PRO 96 CO 0.03 -1.59 0.16 0.95 0.04 0.00 0.00 177.00 176.60 1n62 s THR 97 N -2.15 2.50 0.31 1.26 -4.23 0.11 -4.76 115.64 108.68 1n62 s THR 97 Ca 0.71 -1.71 0.32 0.00 -1.18 0.00 0.00 61.69 59.82 1n62 s THR 97 Cb -0.25 -2.97 0.34 0.00 1.34 0.00 0.00 72.50 70.96 1n62 s THR 97 CO 0.44 -0.06 2.05 -0.07 -0.54 0.00 0.00 174.62 176.44 1n62 h LEU 98 N 1.48 0.00 -0.61 4.79 3.38 -1.84 -1.25 115.31 121.26 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 0.68 0.08 0.00 0.00 0.09 0.00 0.00 178.44 179.29 1n62 n ALA 99 N -2.18 2.59 -0.99 1.53 0.00 -1.24 -4.60 120.51 115.63 1n62 n ALA 99 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1n62 n ALA 99 Cb 0.26 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 1.05 0.46 0.00 0.00 0.00 -0.47 -4.81 105.19 101.43 1n62 n GLY 100 Ca 0.18 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.71 0.00 -4.25 1.61 -0.08 -1.26 -4.42 116.55 108.86 1n62 n ASP 101 Ca 0.00 -0.50 -0.16 0.00 -1.51 0.00 0.00 54.79 52.61 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 1.31 1.28 -0.01 5.18 -7.23 -1.26 -0.71 120.40 118.96 1n62 s VAL 102 Ca 0.00 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.32 1n62 s VAL 102 Cb 0.00 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.24 1n62 s VAL 102 CO 0.00 -0.57 -0.13 -1.58 -0.31 0.00 0.00 175.10 172.51 1n62 s GLN 103 N -3.18 1.08 0.23 4.82 0.74 0.31 -4.55 119.66 119.13 1n62 s GLN 103 Ca 0.13 -0.50 -0.31 0.00 0.05 0.00 0.00 55.36 54.73 1n62 s GLN 103 Cb -0.02 -1.05 -0.11 0.00 1.10 0.00 0.00 33.01 32.94 1n62 s GLN 103 CO 0.02 0.29 1.56 0.00 -0.55 0.00 0.00 175.29 176.61 1n62 s ALA 104 N -0.35 3.75 -0.16 1.58 0.00 -1.26 -0.81 121.76 124.50 1n62 s ALA 104 Ca 0.05 1.45 -0.15 0.00 0.00 0.00 0.00 51.96 53.30 1n62 s ALA 104 Cb -0.05 -3.62 -0.12 0.00 0.00 0.00 0.00 23.12 19.33 1n62 s ALA 104 CO -0.00 -0.85 0.11 0.28 0.00 0.00 0.00 175.76 175.30 1n62 h VAL 105 N 3.65 0.58 -4.35 0.00 2.07 -1.00 -3.45 116.25 113.74 1n62 h VAL 105 Ca -0.45 -1.63 -0.58 0.00 0.82 0.00 0.00 66.70 64.86 1n62 h VAL 105 Cb 1.21 1.29 -0.30 0.00 -1.52 0.00 0.00 31.29 31.98 1n62 h VAL 105 CO 0.84 0.20 -0.85 -0.76 0.02 0.00 0.00 177.57 177.02 1n62 s LEU 106 N -8.12 2.03 0.29 2.57 1.43 -1.23 -4.68 118.68 110.96 1n62 s LEU 106 Ca -0.19 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.26 1n62 s LEU 106 Cb 0.03 -1.01 -0.10 0.00 0.03 0.00 0.00 46.19 45.14 1n62 s LEU 106 CO 0.40 0.23 1.37 0.00 0.23 0.00 0.00 176.35 178.58 1n62 s ALA 107 N -0.42 3.56 0.00 4.21 0.00 -0.33 -4.52 121.76 124.26 1n62 s ALA 107 Ca 0.07 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1n62 s ALA 107 Cb -0.08 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1n62 s ALA 107 CO -0.01 -0.70 0.00 -3.47 0.00 0.00 0.00 175.76 171.58 1n62 n ASP 108 N 1.51 0.00 0.01 0.00 2.03 -1.26 -4.37 116.55 114.47 1n62 n ASP 108 Ca 0.03 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.22 1n62 n ASP 108 Cb 0.41 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.67 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 0.08 -3.40 -0.67 5.08 -1.92 -3.43 114.58 110.33 1n62 h GLU 109 Ca 0.00 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1n62 h GLU 109 Cb 0.00 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 29.15 1n62 h GLU 109 CO 0.00 0.77 -0.23 -1.59 -1.00 0.00 0.00 179.01 176.96 1n62 s LYS 110 N -2.61 0.87 0.01 2.33 -2.85 -1.26 -0.66 119.74 115.56 1n62 s LYS 110 Ca -0.07 -0.62 -0.01 0.00 -1.00 0.00 0.00 55.97 54.27 1n62 s LYS 110 Cb 0.08 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 1n62 s LYS 110 CO 0.82 -0.29 0.14 0.14 0.10 0.00 0.00 175.35 176.26 1n62 s VAL 111 N -3.02 5.13 0.00 1.79 -7.23 0.22 -4.75 120.40 112.54 1n62 s VAL 111 Ca -0.02 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1n62 s VAL 111 Cb 0.01 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.55 1n62 s VAL 111 CO -0.06 0.30 0.11 0.18 -0.31 0.00 0.00 175.10 175.32 1n62 n LEU 112 N 0.91 0.22 -3.71 1.32 4.77 -1.24 -2.16 117.00 117.12 1n62 n LEU 112 Ca -0.11 -0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 55.25 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 0.43 0.06 0.11 0.72 -1.33 0.00 0.00 177.39 177.37 1n62 s PHE 113 N -0.52 -0.30 0.20 -1.77 -0.71 -0.84 -3.49 117.98 110.55 1n62 s PHE 113 Ca 0.00 0.53 -0.31 0.00 -1.04 0.00 0.00 56.93 56.11 1n62 s PHE 113 Cb 0.00 0.16 -0.10 0.00 -1.21 0.00 0.00 43.02 41.87 1n62 s PHE 113 CO 0.00 -0.41 1.55 -1.14 -1.34 0.00 0.00 175.22 173.88 1n62 s GLN 114 N -1.10 4.21 0.00 1.99 0.74 -1.22 -1.67 119.66 122.61 1n62 s GLN 114 Ca -0.11 2.38 0.00 0.00 0.05 0.00 0.00 55.36 57.68 1n62 s GLN 114 Cb -0.04 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 30.94 1n62 s GLN 114 CO 0.05 -0.57 0.00 0.09 -0.55 0.00 0.00 175.29 174.31 1n62 n ASN 115 N 3.38 -1.77 -4.75 6.67 5.03 0.12 -4.85 115.26 119.08 1n62 n ASN 115 Ca 0.12 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.18 1n62 n ASN 115 Cb 0.39 -0.30 0.04 0.00 -1.02 0.00 0.00 39.78 38.89 1n62 n ASN 115 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1n62 s GLN 116 N -0.21 3.22 0.07 3.52 0.74 -0.67 -4.27 119.66 122.07 1n62 s GLN 116 Ca 0.00 2.28 -0.31 0.00 0.05 0.00 0.00 55.36 57.38 1n62 s GLN 116 Cb 0.00 -2.32 -0.07 0.00 1.10 0.00 0.00 33.01 31.71 1n62 s GLN 116 CO 0.00 -1.14 1.45 -1.21 -0.55 0.00 0.00 175.29 173.84 1n62 s GLU 117 N -2.83 4.28 -0.05 1.67 8.01 -1.26 -0.03 118.70 128.49 1n62 s GLU 117 Ca 0.70 2.10 0.01 0.00 0.01 0.00 0.00 54.97 57.79 1n62 s GLU 117 Cb -0.41 -3.40 -0.03 0.00 -4.31 0.00 0.00 34.13 25.97 1n62 s GLU 117 CO 0.50 -0.54 -0.03 0.28 0.01 0.00 0.00 175.26 175.48 1n62 n VAL 118 N 4.30 0.27 -3.73 2.63 0.31 0.84 -1.18 118.33 121.77 1n62 n VAL 118 Ca 0.13 -0.12 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 1n62 n VAL 118 Cb 0.42 -0.72 -0.07 0.00 -0.91 0.00 0.00 33.84 32.56 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 -0.78 -0.23 3.52 0.00 -1.01 -4.23 121.76 116.93 1n62 s ALA 119 Ca -0.05 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1n62 s ALA 119 Cb 0.02 0.33 0.05 0.00 0.00 0.00 0.00 23.12 23.52 1n62 s ALA 119 CO 0.12 -0.43 -0.11 0.12 0.00 0.00 0.00 175.76 175.46 1n62 s PHE 120 N -2.53 2.88 -0.08 0.00 5.36 0.11 -0.46 117.98 123.26 1n62 s PHE 120 Ca -0.05 -1.99 -0.16 0.00 -0.96 0.00 0.00 56.93 53.77 1n62 s PHE 120 Cb -0.01 -1.81 -0.05 0.00 -0.34 0.00 0.00 43.02 40.81 1n62 s PHE 120 CO -0.03 -0.82 0.40 0.08 -1.46 0.00 0.00 175.22 173.39 1n62 s VAL 121 N 1.24 5.15 -0.10 3.12 1.01 0.42 -0.41 120.40 130.83 1n62 s VAL 121 Ca -0.05 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.77 1n62 s VAL 121 Cb -0.18 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1n62 s VAL 121 CO -0.07 0.45 -0.20 -0.69 0.00 0.00 0.00 175.10 174.59 1n62 s VAL 122 N -0.14 1.82 0.25 2.92 1.01 0.51 -1.09 120.40 125.68 1n62 s VAL 122 Ca 0.23 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 1n62 s VAL 122 Cb -0.15 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1n62 s VAL 122 CO 0.10 0.51 0.26 0.00 0.00 0.00 0.00 175.10 175.96 1n62 s ALA 123 N 0.59 0.97 0.40 5.51 0.00 0.68 0.42 121.76 130.32 1n62 s ALA 123 Ca -0.14 -1.59 0.12 0.00 0.00 0.00 0.00 51.96 50.35 1n62 s ALA 123 Cb -0.17 1.32 0.94 0.00 0.00 0.00 0.00 23.12 25.21 1n62 s ALA 123 CO 0.04 -0.68 1.93 -0.22 0.00 0.00 0.00 175.76 176.84 1n62 h LYS 124 N 2.41 0.52 -2.98 0.00 3.64 -1.00 0.90 116.57 120.07 1n62 h LYS 124 Ca -0.31 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1n62 h LYS 124 Cb 1.25 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1n62 h LYS 124 CO 0.45 0.35 0.26 0.16 -2.27 0.00 0.00 179.45 178.40 1n62 s ASP 125 N -6.04 -0.11 0.46 4.20 1.47 -1.26 -4.38 116.67 111.00 1n62 s ASP 125 Ca -0.09 -0.89 0.29 0.00 1.18 0.00 0.00 52.55 53.04 1n62 s ASP 125 Cb 0.20 0.79 1.01 0.00 -0.34 0.00 0.00 42.92 44.58 1n62 s ASP 125 CO 0.77 -1.52 1.84 0.08 0.68 0.00 0.00 175.17 177.02 1n62 h ARG 126 N 2.00 0.00 -0.04 2.11 0.11 -1.87 -1.19 114.38 115.50 1n62 h ARG 126 Ca -0.26 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.78 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 0.33 0.00 -0.11 1.88 0.10 0.00 0.00 179.97 182.16 1n62 h TYR 127 N 0.00 0.19 -0.71 4.08 -1.99 -1.98 -1.64 116.97 114.92 1n62 h TYR 127 Ca 0.00 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 1n62 h TYR 127 Cb 0.63 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 39.30 1n62 h TYR 127 CO 0.00 0.73 0.30 0.28 -0.00 0.00 0.00 178.16 179.47 1n62 h VAL 128 N -0.41 1.24 -0.69 -2.88 2.07 -1.93 -1.40 116.25 112.26 1n62 h VAL 128 Ca -0.00 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.80 1n62 h VAL 128 Cb 0.73 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1n62 h VAL 128 CO 0.02 0.30 0.43 0.00 0.02 0.00 0.00 177.57 178.35 1n62 h ALA 129 N 1.14 0.89 -0.61 1.67 0.00 -1.21 0.41 119.26 121.56 1n62 h ALA 129 Ca 0.24 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1n62 h ALA 129 Cb 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1n62 h ALA 129 CO -0.02 0.22 0.17 0.00 0.00 0.00 0.00 179.25 179.61 1n62 h ALA 130 N 1.29 1.15 -0.34 0.00 0.00 -0.75 -0.44 119.26 120.17 1n62 h ALA 130 Ca 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1n62 h ALA 130 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1n62 h ALA 130 CO -0.10 0.58 0.15 -0.44 0.00 0.00 0.00 179.25 179.45 1n62 h ASP 131 N 0.90 0.45 0.20 0.00 3.32 -0.54 -2.87 116.42 117.88 1n62 h ASP 131 Ca 0.20 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1n62 h ASP 131 Cb 0.29 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1n62 h ASP 131 CO -0.00 0.47 -0.42 0.00 -1.72 0.00 0.00 179.24 177.57 1n62 h ALA 132 N 1.00 1.05 -0.83 3.45 0.00 -0.41 -2.31 119.26 121.21 1n62 h ALA 132 Ca 0.12 -0.42 0.08 0.00 0.00 0.00 0.00 54.91 54.68 1n62 h ALA 132 Cb 0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1n62 h ALA 132 CO -0.01 0.61 0.49 0.82 0.00 0.00 0.00 179.25 181.16 1n62 h ILE 133 N 0.24 0.97 0.00 0.00 2.04 -0.94 -0.81 117.51 119.01 1n62 h ILE 133 Ca 0.02 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1n62 h ILE 133 Cb 0.85 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1n62 h ILE 133 CO 0.07 0.16 -0.03 -0.33 0.00 0.00 0.00 178.15 178.02 1n62 h GLU 134 N 0.86 0.00 0.00 2.37 4.39 -1.20 -2.50 114.58 118.50 1n62 h GLU 134 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1n62 h GLU 134 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1n62 h GLU 134 CO -0.21 0.03 -0.48 -0.07 -1.16 0.00 0.00 179.01 177.11 1n62 h LEU 135 N 0.00 0.00 -9.60 1.33 3.38 -1.11 -3.45 115.31 105.85 1n62 h LEU 135 Ca -0.00 -0.09 -0.53 0.00 0.09 0.00 0.00 57.88 57.35 1n62 h LEU 135 Cb 0.24 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.01 1n62 h LEU 135 CO 0.00 0.05 0.60 -0.69 0.09 0.00 0.00 178.44 178.48 1n62 s VAL 136 N -3.20 3.60 -0.19 1.22 1.01 -0.94 -4.40 120.40 117.49 1n62 s VAL 136 Ca 0.06 1.26 -0.03 0.00 0.00 0.00 0.00 61.98 63.27 1n62 s VAL 136 Cb 0.11 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1n62 s VAL 136 CO 0.70 0.16 -0.08 -1.61 0.00 0.00 0.00 175.10 174.28 1n62 s GLU 137 N 0.31 3.39 -0.15 2.72 0.41 -0.70 -4.98 118.70 119.70 1n62 s GLU 137 Ca 0.57 -0.64 -0.01 0.00 -0.41 0.00 0.00 54.97 54.47 1n62 s GLU 137 Cb -0.33 -2.87 -0.02 0.00 -1.78 0.00 0.00 34.13 29.13 1n62 s GLU 137 CO 0.34 -0.04 -0.10 0.08 -0.49 0.00 0.00 175.26 175.05 1n62 s VAL 138 N 1.05 3.26 -0.20 2.63 1.01 -1.26 -0.62 120.40 126.27 1n62 s VAL 138 Ca 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 1n62 s VAL 138 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1n62 s VAL 138 CO -0.01 0.50 0.34 -1.81 0.00 0.00 0.00 175.10 174.13 1n62 s ASP 139 N 0.53 6.38 0.06 3.32 1.01 -0.05 -4.99 116.67 122.93 1n62 s ASP 139 Ca -0.07 0.44 0.06 0.00 0.71 0.00 0.00 52.55 53.70 1n62 s ASP 139 Cb -0.15 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1n62 s ASP 139 CO 0.04 -0.03 -0.13 -0.31 0.21 0.00 0.00 175.17 174.95 1n62 s TYR 140 N 1.14 2.70 -0.35 4.23 2.02 -1.26 0.34 117.35 126.16 1n62 s TYR 140 Ca 0.17 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.71 1n62 s TYR 140 Cb -0.14 -1.48 0.10 0.00 -0.40 0.00 0.00 41.96 40.04 1n62 s TYR 140 CO 0.07 0.35 0.08 -1.83 -1.57 0.00 0.00 175.55 172.65 1n62 s GLU 141 N -1.75 1.71 0.30 -0.62 -1.05 0.47 -4.88 118.70 112.89 1n62 s GLU 141 Ca 0.18 -1.80 -0.28 0.00 -0.15 0.00 0.00 54.97 52.91 1n62 s GLU 141 Cb -0.11 -3.29 -0.14 0.00 -0.44 0.00 0.00 34.13 30.15 1n62 s GLU 141 CO 0.09 -0.94 1.02 -0.35 0.95 0.00 0.00 175.26 176.03 1n62 n PRO 142 N 4.37 1.39 -4.48 -4.83 -0.04 -1.26 0.14 135.00 130.30 1n62 n PRO 142 Ca 0.00 0.49 -0.25 0.00 -0.04 0.00 0.00 63.50 63.71 1n62 n PRO 142 Cb 0.42 -1.88 -0.10 0.00 -0.04 0.00 0.00 33.50 31.90 1n62 n PRO 142 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n62 s LEU 143 N 0.34 2.70 0.07 1.53 1.43 -0.08 -4.79 118.68 119.89 1n62 s LEU 143 Ca 0.59 -1.06 -0.31 0.00 -1.03 0.00 0.00 54.13 52.31 1n62 s LEU 143 Cb -0.69 -1.12 -0.08 0.00 0.03 0.00 0.00 46.19 44.34 1n62 s LEU 143 CO 0.60 -0.07 1.54 -2.84 0.23 0.00 0.00 176.35 175.82 1n62 s PRO 144 N -3.57 4.24 0.13 1.29 0.02 -1.26 -4.65 135.00 131.20 1n62 s PRO 144 Ca 0.31 2.21 -0.25 0.00 0.02 0.00 0.00 61.00 63.29 1n62 s PRO 144 Cb -0.02 -3.48 -0.07 0.00 0.02 0.00 0.00 34.50 30.95 1n62 s PRO 144 CO 0.16 -0.64 0.78 0.08 -0.33 0.00 0.00 177.00 177.05 1n62 s VAL 145 N 2.14 4.47 -0.26 3.83 1.01 -1.26 -4.80 120.40 125.52 1n62 s VAL 145 Ca 0.70 1.69 0.01 0.00 0.00 0.00 0.00 61.98 64.37 1n62 s VAL 145 Cb -0.38 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 31.91 1n62 s VAL 145 CO 0.30 0.48 -0.08 -0.22 0.00 0.00 0.00 175.10 175.58 1n62 s LEU 146 N -0.83 3.38 0.00 3.92 2.96 -1.26 -4.92 118.68 121.93 1n62 s LEU 146 Ca 0.37 -1.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.10 1n62 s LEU 146 Cb -0.22 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.85 1n62 s LEU 146 CO 0.25 -0.18 0.00 1.33 -1.32 0.00 0.00 176.35 176.44 1n62 n VAL 147 N 4.55 0.00 -3.12 1.68 0.24 -1.26 -0.36 118.33 120.07 1n62 n VAL 147 Ca -0.15 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.72 1n62 n VAL 147 Cb 0.44 0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 33.06 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 -2.09 6.29 0.56 -1.34 -1.08 -1.26 -4.91 116.67 112.83 1n62 s ASP 148 Ca 0.00 -0.53 0.26 0.00 -0.52 0.00 0.00 52.55 51.75 1n62 s ASP 148 Cb 0.00 -2.31 1.61 0.00 -1.46 0.00 0.00 42.92 40.76 1n62 s ASP 148 CO 0.00 -0.83 2.19 1.55 0.52 0.00 0.00 175.17 178.60 1n62 h PRO 149 N 8.94 0.00 0.00 4.34 0.13 -1.93 0.53 132.00 144.00 1n62 h PRO 149 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1n62 h PRO 149 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1n62 h PRO 149 CO 0.92 0.03 0.00 0.74 -0.23 0.00 0.00 178.00 179.46 1n62 h PHE 150 N 0.00 0.00 -0.09 1.56 0.04 -1.99 -1.79 116.94 114.67 1n62 h PHE 150 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1n62 h PHE 150 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 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 -2.55 1.44 0.24 1.51 5.02 0.16 -4.64 118.16 119.34 1n62 n LYS 151 Ca -0.00 -1.57 0.09 0.00 -2.02 0.00 0.00 58.31 54.80 1n62 n LYS 151 Cb 0.15 -1.32 0.59 0.00 -0.02 0.00 0.00 35.03 34.43 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 3.09 1.42 -0.22 7.82 0.00 -1.18 -2.41 119.26 127.78 1n62 h ALA 152 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1n62 h ALA 152 Cb 0.69 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1n62 h ALA 152 CO 0.00 0.23 -0.07 -1.33 0.00 0.00 0.00 179.25 178.09 1n62 n MET 153 N -3.92 2.12 -2.09 0.00 2.81 -1.26 -4.53 117.12 110.25 1n62 n MET 153 Ca -0.02 -2.95 -0.32 0.00 -1.81 0.00 0.00 57.70 52.60 1n62 n MET 153 Cb 0.28 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 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 -3.02 3.48 0.51 0.03 2.02 -0.91 -4.93 118.70 115.89 1n62 s GLU 154 Ca 0.41 1.08 0.25 0.00 0.02 0.00 0.00 54.97 56.73 1n62 s GLU 154 Cb 0.35 -2.06 1.37 0.00 0.10 0.00 0.00 34.13 33.89 1n62 s GLU 154 CO 0.03 -0.67 2.05 -1.35 0.02 0.00 0.00 175.26 175.34 1n62 h PRO 155 N 0.41 0.00 -0.53 0.39 0.11 -1.94 -0.65 132.00 129.79 1n62 h PRO 155 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1n62 h PRO 155 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1n62 h PRO 155 CO 0.59 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 1n62 n ASP 156 N -3.71 4.50 -4.78 -2.05 5.75 -1.26 -4.96 116.55 110.04 1n62 n ASP 156 Ca -0.02 -2.56 -0.41 0.00 -0.01 0.00 0.00 54.79 51.80 1n62 n ASP 156 Cb 0.25 -0.54 -0.01 0.00 -1.03 0.00 0.00 41.12 39.79 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 -2.03 3.53 0.52 2.12 0.00 -0.25 -4.93 121.76 120.70 1n62 s ALA 157 Ca 0.46 1.45 -0.23 0.00 0.00 0.00 0.00 51.96 53.65 1n62 s ALA 157 Cb 0.32 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 1n62 s ALA 157 CO 0.20 -0.91 1.35 -2.30 0.00 0.00 0.00 175.76 174.10 1n62 n PRO 158 N 0.55 1.79 -2.62 0.00 -0.02 -1.26 -4.90 135.00 128.53 1n62 n PRO 158 Ca 0.01 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1n62 n PRO 158 Cb 0.40 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 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 -3.04 3.48 -0.06 2.45 2.96 -1.26 -4.83 118.68 118.38 1n62 s LEU 159 Ca 0.69 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 54.23 1n62 s LEU 159 Cb -0.43 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 1n62 s LEU 159 CO 0.52 -1.61 0.30 -0.07 -1.32 0.00 0.00 176.35 174.17 1n62 h LEU 160 N 12.27 -0.20 -6.64 -0.68 4.07 -1.90 -3.40 115.31 118.82 1n62 h LEU 160 Ca -0.27 0.01 -0.78 0.00 0.08 0.00 0.00 57.88 56.92 1n62 h LEU 160 Cb 1.06 0.05 -0.20 0.00 1.08 0.00 0.00 40.66 42.65 1n62 h LEU 160 CO 1.22 0.19 1.57 0.54 -1.08 0.00 0.00 178.44 180.87 1n62 n ARG 161 N -4.47 3.92 0.05 1.13 5.12 -1.26 -4.73 116.66 116.42 1n62 n ARG 161 Ca -0.03 -3.90 0.20 0.00 -1.93 0.00 0.00 57.85 52.19 1n62 n ARG 161 Cb 0.09 -2.78 0.72 0.00 -1.16 0.00 0.00 32.46 29.34 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 5.67 0.00 0.00 5.56 5.08 -1.97 -0.98 114.58 127.94 1n62 h GLU 162 Ca 0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1n62 h GLU 162 Cb 0.63 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1n62 h GLU 162 CO 1.51 0.00 -0.10 0.38 -1.00 0.00 0.00 179.01 179.80 1n62 h ASP 163 N 0.00 0.00 0.00 1.42 2.03 -1.99 -3.20 116.42 114.68 1n62 h ASP 163 Ca 0.21 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 1n62 h ASP 163 Cb 0.95 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.45 1n62 h ASP 163 CO -0.00 0.10 -0.19 2.30 -1.03 0.00 0.00 179.24 180.41 1n62 n ILE 164 N -3.32 0.81 0.06 4.15 -5.35 -0.81 -4.89 119.36 110.00 1n62 n ILE 164 Ca -0.01 -0.94 -0.12 0.00 -0.27 0.00 0.00 62.75 61.41 1n62 n ILE 164 Cb 0.30 0.30 -0.06 0.00 -1.74 0.00 0.00 39.64 38.44 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 0.00 -0.10 -0.98 6.28 3.64 -1.20 0.13 116.57 124.34 1n62 h LYS 165 Ca 0.00 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 1n62 h LYS 165 Cb 1.09 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.85 1n62 h LYS 165 CO 0.00 -0.06 0.17 -0.40 -2.27 0.00 0.00 179.45 176.89 1n62 n ASP 166 N -5.16 3.12 -3.91 4.20 5.68 -1.26 -4.73 116.55 114.50 1n62 n ASP 166 Ca -0.07 -2.47 -0.29 0.00 -0.50 0.00 0.00 54.79 51.47 1n62 n ASP 166 Cb 0.09 -0.60 -0.13 0.00 -1.14 0.00 0.00 41.12 39.34 1n62 n ASP 166 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1n62 s LYS 167 N -1.09 2.19 0.29 0.11 2.20 0.44 -5.01 119.74 118.87 1n62 s LYS 167 Ca 0.18 -2.97 0.23 0.00 -0.36 0.00 0.00 55.97 53.04 1n62 s LYS 167 Cb 0.15 -3.31 1.08 0.00 -1.51 0.00 0.00 37.83 34.24 1n62 s LYS 167 CO 0.04 -1.21 1.69 -1.33 -0.36 0.00 0.00 175.35 174.18 1n62 n MET 168 N 2.53 0.17 -3.89 4.03 2.81 -1.26 -4.22 117.12 117.29 1n62 n MET 168 Ca 0.13 0.53 -0.35 0.00 -1.81 0.00 0.00 57.70 56.20 1n62 n MET 168 Cb 0.34 -1.92 -0.14 0.00 -0.71 0.00 0.00 33.22 30.79 1n62 n MET 168 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1n62 s THR 169 N -3.44 3.34 0.00 2.03 -4.23 -1.26 0.59 115.64 112.67 1n62 s THR 169 Ca 0.01 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1n62 s THR 169 Cb 0.08 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1n62 s THR 169 CO 0.30 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1n62 n GLY 170 N 4.77 1.15 0.00 3.99 0.00 -0.43 -4.93 105.19 109.75 1n62 n GLY 170 Ca -0.17 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.06 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 2.32 -2.67 4.61 0.00 -1.26 -3.08 120.51 117.43 1n62 n ALA 171 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 1n62 n ALA 171 Cb 0.00 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.29 1.56 0.00 0.00 8.25 -1.26 -5.03 115.22 117.45 1n62 n HIS 172 Ca 0.12 -2.32 0.00 0.00 -0.26 0.00 0.00 57.72 55.26 1n62 n HIS 172 Cb 0.21 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.34 3.78 -1.41 0.00 -1.18 -4.40 105.19 100.13 1n62 n GLY 173 Ca 0.14 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.00 2.82 -0.18 4.61 0.00 -1.26 -1.32 121.76 124.43 1n62 s ALA 174 Ca 0.00 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.77 1n62 s ALA 174 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1n62 s ALA 174 CO 0.00 -0.66 -0.08 1.03 0.00 0.00 0.00 175.76 176.05 1n62 s ARG 175 N -3.06 3.39 0.00 0.00 0.52 2.49 -4.52 118.95 117.76 1n62 s ARG 175 Ca 0.69 -0.65 0.25 0.00 -0.52 0.00 0.00 55.73 55.50 1n62 s ARG 175 Cb -0.24 -2.83 0.58 0.00 0.52 0.00 0.00 34.95 32.97 1n62 s ARG 175 CO 0.28 -0.00 1.48 1.17 0.02 0.00 0.00 175.30 178.25 1n62 n LYS 176 N 4.19 2.06 -3.62 3.54 4.81 -1.26 -4.75 118.16 123.12 1n62 n LYS 176 Ca -0.18 -1.55 -0.09 0.00 -0.87 0.00 0.00 58.31 55.62 1n62 n LYS 176 Cb 0.52 -1.47 -0.06 0.00 0.02 0.00 0.00 35.03 34.04 1n62 n LYS 176 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1n62 s HIS 177 N -1.92 -0.39 0.58 5.64 2.46 -1.26 -5.03 115.29 115.37 1n62 s HIS 177 Ca 0.33 0.88 0.42 0.00 0.47 0.00 0.00 55.06 57.16 1n62 s HIS 177 Cb 0.20 0.40 2.25 0.00 -0.13 0.00 0.00 32.58 35.30 1n62 s HIS 177 CO 0.31 -0.24 2.31 1.12 -2.47 0.00 0.00 174.74 175.78 1n62 h HIS 178 N 3.57 0.00 -0.47 3.88 2.07 -1.92 0.11 115.15 122.40 1n62 h HIS 178 Ca -0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.27 1n62 h HIS 178 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1n62 h HIS 178 CO 0.30 0.00 0.00 0.09 -3.07 0.00 0.00 177.93 175.25 1n62 n ASN 179 N -3.13 3.33 -4.67 3.10 3.02 -1.26 -4.71 115.26 110.93 1n62 n ASN 179 Ca -0.02 -1.97 -0.39 0.00 -0.03 0.00 0.00 54.58 52.17 1n62 n ASN 179 Cb 0.11 -0.31 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.39 3.40 -0.17 3.10 2.46 0.39 -0.79 115.29 122.29 1n62 s HIS 180 Ca 0.40 0.76 -0.20 0.00 0.47 0.00 0.00 55.06 56.50 1n62 s HIS 180 Cb 0.22 -2.62 -0.17 0.00 -0.13 0.00 0.00 32.58 29.89 1n62 s HIS 180 CO 0.31 -0.04 0.29 0.82 -2.47 0.00 0.00 174.74 173.65 1n62 h ILE 181 N 5.04 0.93 -2.73 0.89 2.04 -0.86 -3.42 117.51 119.39 1n62 h ILE 181 Ca -0.35 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 63.54 1n62 h ILE 181 Cb 1.16 1.99 -0.15 0.00 -0.74 0.00 0.00 36.82 39.09 1n62 h ILE 181 CO 0.74 0.32 0.16 0.72 0.00 0.00 0.00 178.15 180.08 1n62 s PHE 182 N -2.22 -0.53 -0.09 1.37 -0.12 -1.21 -4.66 117.98 110.52 1n62 s PHE 182 Ca -0.21 0.53 0.03 0.00 -0.05 0.00 0.00 56.93 57.23 1n62 s PHE 182 Cb 0.02 0.47 0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1n62 s PHE 182 CO 0.50 -0.74 -0.16 0.50 -0.05 0.00 0.00 175.22 175.27 1n62 s ARG 183 N -2.87 2.20 -0.04 1.99 3.52 -1.26 -1.38 118.95 121.10 1n62 s ARG 183 Ca -0.03 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.02 1n62 s ARG 183 Cb -0.01 -1.77 0.01 0.00 -1.56 0.00 0.00 34.95 31.62 1n62 s ARG 183 CO -0.05 0.05 -0.10 -0.46 -0.81 0.00 0.00 175.30 173.92 1n62 s TRP 184 N 0.66 1.17 0.08 5.12 -0.00 0.18 -4.94 118.94 121.21 1n62 s TRP 184 Ca -0.14 -0.36 0.04 0.00 -0.00 0.00 0.00 56.10 55.64 1n62 s TRP 184 Cb -0.16 -0.86 -0.03 0.00 -0.00 0.00 0.00 33.47 32.42 1n62 s TRP 184 CO 0.04 -0.18 -0.11 -1.21 -0.00 0.00 0.00 176.95 175.49 1n62 s GLU 185 N 0.46 0.80 -0.01 5.86 2.02 -1.26 -0.33 118.70 126.24 1n62 s GLU 185 Ca -0.09 -1.05 -0.26 0.00 0.02 0.00 0.00 54.97 53.60 1n62 s GLU 185 Cb -0.12 -0.60 0.06 0.00 0.10 0.00 0.00 34.13 33.56 1n62 s GLU 185 CO 0.02 0.11 0.57 -1.50 0.02 0.00 0.00 175.26 174.48 1n62 s ILE 186 N -1.94 0.02 0.00 -1.63 2.07 -0.22 -5.00 121.20 114.50 1n62 s ILE 186 Ca 0.01 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 1n62 s ILE 186 Cb -0.06 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.60 1n62 s ILE 186 CO 0.01 -0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.57 1n62 n GLY 187 N 0.76 0.67 3.40 1.50 0.00 -1.26 -0.94 105.19 109.31 1n62 n GLY 187 Ca -0.19 -2.13 -0.45 0.00 0.00 0.00 0.00 46.02 43.26 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 6.39 0.05 1.61 -1.08 -0.40 -4.89 116.67 118.34 1n62 s ASP 188 Ca 0.00 -1.73 -0.24 0.00 -0.52 0.00 0.00 52.55 50.06 1n62 s ASP 188 Cb 0.00 -2.33 -0.16 0.00 -1.46 0.00 0.00 42.92 38.97 1n62 s ASP 188 CO 0.00 -1.06 1.57 0.50 0.52 0.00 0.00 175.17 176.69 1n62 h LYS 189 N 8.93 0.04 -0.54 4.34 3.64 -1.90 -0.80 116.57 130.28 1n62 h LYS 189 Ca -0.11 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1n62 h LYS 189 Cb 1.06 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1n62 h LYS 189 CO 1.06 0.21 0.30 1.49 -2.27 0.00 0.00 179.45 180.25 1n62 h GLU 190 N -0.14 0.75 -0.48 1.90 4.81 -1.97 0.11 114.58 119.56 1n62 h GLU 190 Ca 0.01 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1n62 h GLU 190 Cb 0.19 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1n62 h GLU 190 CO -0.00 0.57 -0.19 0.78 -0.73 0.00 0.00 179.01 179.44 1n62 h GLY 191 N 0.72 1.03 0.83 1.92 0.00 -1.95 -0.27 103.07 105.36 1n62 h GLY 191 Ca 0.19 -0.88 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 1n62 h GLY 191 CO -0.03 0.81 0.02 -0.84 0.00 0.00 0.00 176.54 176.50 1n62 h THR 192 N 0.83 1.23 -0.89 4.70 2.02 -0.82 -1.20 112.91 118.78 1n62 h THR 192 Ca 0.11 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1n62 h THR 192 Cb 0.75 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.49 1n62 h THR 192 CO 0.06 0.24 0.47 0.44 0.37 0.00 0.00 175.52 177.10 1n62 h ASP 193 N 0.11 1.13 -0.80 4.18 3.32 -0.59 -0.50 116.42 123.27 1n62 h ASP 193 Ca 0.06 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1n62 h ASP 193 Cb 0.34 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1n62 h ASP 193 CO 0.01 0.92 0.40 0.00 -1.72 0.00 0.00 179.24 178.85 1n62 h ALA 194 N 1.26 1.03 -0.40 3.45 0.00 -0.79 0.03 119.26 123.85 1n62 h ALA 194 Ca 0.31 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1n62 h ALA 194 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1n62 h ALA 194 CO -0.05 0.58 0.09 1.15 0.00 0.00 0.00 179.25 181.02 1n62 h THR 195 N 1.13 1.23 0.00 0.00 2.02 -0.45 -2.74 112.91 114.10 1n62 h THR 195 Ca 0.28 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 1n62 h THR 195 Cb 0.09 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1n62 h THR 195 CO -0.04 0.28 -0.25 -0.26 0.37 0.00 0.00 175.52 175.62 1n62 h PHE 196 N 0.51 0.00 0.00 3.16 -1.00 -0.72 0.49 116.94 119.37 1n62 h PHE 196 Ca 0.12 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.88 1n62 h PHE 196 Cb 0.33 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.88 1n62 h PHE 196 CO 0.02 0.25 -0.13 0.00 -1.61 0.00 0.00 178.31 176.85 1n62 h ALA 197 N 1.75 1.15 0.00 2.45 0.00 -0.69 -3.29 119.26 120.62 1n62 h ALA 197 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1n62 h ALA 197 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1n62 h ALA 197 CO 0.03 0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.80 1n62 n LYS 198 N -3.45 3.83 -1.59 0.00 2.85 -0.89 -5.06 118.16 113.85 1n62 n LYS 198 Ca -0.01 -0.17 -0.35 0.00 -1.05 0.00 0.00 58.31 56.73 1n62 n LYS 198 Cb 0.29 -0.64 0.08 0.00 -0.65 0.00 0.00 35.03 34.11 1n62 n LYS 198 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n62 s ALA 199 N -0.60 2.24 0.19 0.58 0.00 0.11 -4.89 121.76 119.39 1n62 s ALA 199 Ca 0.00 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 1n62 s ALA 199 Cb 0.00 -3.49 0.11 0.00 0.00 0.00 0.00 23.12 19.74 1n62 s ALA 199 CO 0.00 -1.71 1.61 0.93 0.00 0.00 0.00 175.76 176.58 1n62 h GLU 200 N 0.07 0.91 -4.85 0.00 5.08 -1.89 -3.42 114.58 110.48 1n62 h GLU 200 Ca -0.49 -0.36 -0.51 0.00 -1.00 0.00 0.00 59.36 57.00 1n62 h GLU 200 Cb 1.31 -0.05 -0.32 0.00 0.50 0.00 0.00 28.75 30.19 1n62 h GLU 200 CO 0.51 1.01 -0.82 0.08 -1.00 0.00 0.00 179.01 178.79 1n62 s VAL 201 N -4.71 1.17 -0.12 3.13 1.01 -0.21 -4.92 120.40 115.75 1n62 s VAL 201 Ca -0.10 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1n62 s VAL 201 Cb 0.13 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1n62 s VAL 201 CO 0.85 0.35 -0.14 -0.69 0.00 0.00 0.00 175.10 175.48 1n62 s VAL 202 N 0.31 1.44 -0.28 2.92 1.01 -1.26 -0.76 120.40 123.79 1n62 s VAL 202 Ca -0.08 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1n62 s VAL 202 Cb -0.12 -1.34 0.06 0.00 0.00 0.00 0.00 36.38 34.97 1n62 s VAL 202 CO 0.02 0.43 -0.06 -0.55 0.00 0.00 0.00 175.10 174.94 1n62 s SER 203 N 1.24 4.62 -0.03 3.32 0.15 0.31 -4.98 113.70 118.32 1n62 s SER 203 Ca -0.02 -1.39 0.06 0.00 0.70 0.00 0.00 55.95 55.30 1n62 s SER 203 Cb -0.14 -1.61 -0.01 0.00 -1.71 0.00 0.00 66.02 62.55 1n62 s SER 203 CO -0.05 -0.23 -0.21 -0.75 1.20 0.00 0.00 173.24 173.20 1n62 s LYS 204 N 1.14 1.93 0.10 5.44 2.20 -1.26 -0.79 119.74 128.51 1n62 s LYS 204 Ca -0.07 -0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 54.66 1n62 s LYS 204 Cb -0.20 -1.76 0.02 0.00 -1.51 0.00 0.00 37.83 34.38 1n62 s LYS 204 CO -0.04 0.39 0.30 -0.51 -0.36 0.00 0.00 175.35 175.13 1n62 s ASP 205 N -0.29 -0.07 -0.32 1.43 1.01 -0.52 -5.00 116.67 112.91 1n62 s ASP 205 Ca 0.03 -0.46 -0.05 0.00 0.71 0.00 0.00 52.55 52.77 1n62 s ASP 205 Cb -0.10 0.41 0.04 0.00 1.01 0.00 0.00 42.92 44.27 1n62 s ASP 205 CO 0.01 -0.78 0.06 -0.32 0.21 0.00 0.00 175.17 174.35 1n62 s MET 206 N -3.77 2.57 -0.26 8.23 1.75 -1.26 -0.39 119.30 126.18 1n62 s MET 206 Ca 0.03 -1.19 -0.10 0.00 -1.25 0.00 0.00 55.69 53.18 1n62 s MET 206 Cb 0.03 -3.35 -0.04 0.00 2.84 0.00 0.00 34.83 34.31 1n62 s MET 206 CO -0.11 -0.64 0.15 -0.06 -0.65 0.00 0.00 175.02 173.71 1n62 s PHE 207 N 1.35 3.20 -0.19 4.11 0.08 -0.07 -4.88 117.98 121.59 1n62 s PHE 207 Ca -0.03 0.00 -0.12 0.00 0.12 0.00 0.00 56.93 56.90 1n62 s PHE 207 Cb -0.19 -2.31 -0.05 0.00 -0.57 0.00 0.00 43.02 39.90 1n62 s PHE 207 CO 0.01 -0.15 0.23 0.99 -0.10 0.00 0.00 175.22 176.21 1n62 s THR 208 N 1.51 5.34 -0.53 0.64 2.01 -1.26 -0.21 115.64 123.14 1n62 s THR 208 Ca 0.07 0.40 -0.14 0.00 0.31 0.00 0.00 61.69 62.33 1n62 s THR 208 Cb -0.15 -3.57 0.13 0.00 0.01 0.00 0.00 72.50 68.92 1n62 s THR 208 CO 0.07 0.39 0.46 -0.47 -0.69 0.00 0.00 174.62 174.39 1n62 s TYR 209 N 0.56 3.31 0.82 4.92 6.14 0.54 -4.44 117.35 129.20 1n62 s TYR 209 Ca 0.13 -1.47 -0.12 0.00 0.64 0.00 0.00 57.07 56.26 1n62 s TYR 209 Cb -0.12 -3.72 0.09 0.00 0.42 0.00 0.00 41.96 38.63 1n62 s TYR 209 CO 0.02 -1.01 1.14 -3.38 0.64 0.00 0.00 175.55 172.96 1n62 s HIS 210 N 1.50 2.03 0.18 4.97 -3.43 -1.26 -0.62 115.29 118.66 1n62 s HIS 210 Ca 0.04 1.68 -0.31 0.00 -0.80 0.00 0.00 55.06 55.67 1n62 s HIS 210 Cb -0.29 -3.28 -0.09 0.00 -1.43 0.00 0.00 32.58 27.49 1n62 s HIS 210 CO 0.02 -2.43 1.42 0.50 -2.00 0.00 0.00 174.74 172.25 1n62 s ARG 211 N -4.52 4.30 0.00 -0.38 3.52 -1.26 -3.79 118.95 116.81 1n62 s ARG 211 Ca 0.67 2.19 0.00 0.00 -0.13 0.00 0.00 55.73 58.46 1n62 s ARG 211 Cb -0.23 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1n62 s ARG 211 CO 0.54 -0.43 0.00 1.33 -0.81 0.00 0.00 175.30 175.93 1n62 n VAL 212 N 3.21 0.00 -3.73 7.11 0.24 -0.31 -1.42 118.33 123.43 1n62 n VAL 212 Ca 0.09 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.26 1n62 n VAL 212 Cb 0.41 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.68 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 -1.90 -0.40 0.30 6.34 2.46 -1.26 -0.93 115.29 119.90 1n62 s HIS 213 Ca 0.00 0.91 0.23 0.00 0.47 0.00 0.00 55.06 56.68 1n62 s HIS 213 Cb 0.00 0.15 1.09 0.00 -0.13 0.00 0.00 32.58 33.69 1n62 s HIS 213 CO 0.00 -0.26 1.92 -1.00 -2.47 0.00 0.00 174.74 172.93 1n62 h PRO 214 N 5.07 0.00 -6.90 2.88 0.13 -1.87 -3.47 132.00 127.84 1n62 h PRO 214 Ca -0.27 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.35 1n62 h PRO 214 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1n62 h PRO 214 CO 0.29 0.22 -0.91 0.45 -0.23 0.00 0.00 178.00 177.82 1n62 n SER 215 N -3.63 -3.73 -4.75 1.44 2.88 -1.26 -4.87 113.62 99.71 1n62 n SER 215 Ca -0.01 -1.07 -0.36 0.00 -1.33 0.00 0.00 58.87 56.10 1n62 n SER 215 Cb 0.35 -1.38 0.04 0.00 -0.75 0.00 0.00 64.21 62.48 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 -6.46 2.88 0.37 -1.46 0.04 -1.26 -4.88 135.00 124.23 1n62 s PRO 216 Ca 0.31 1.92 0.10 0.00 0.04 0.00 0.00 61.00 63.37 1n62 s PRO 216 Cb -0.17 -1.93 0.74 0.00 0.04 0.00 0.00 34.50 33.17 1n62 s PRO 216 CO 0.83 -1.30 1.88 1.25 0.04 0.00 0.00 177.00 179.70 1n62 h LEU 217 N 0.85 0.19 -9.26 -3.56 5.85 -1.86 -3.36 115.31 104.17 1n62 h LEU 217 Ca -0.51 -0.05 -0.58 0.00 0.84 0.00 0.00 57.88 57.58 1n62 h LEU 217 Cb 1.31 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 1n62 h LEU 217 CO 0.55 0.41 -0.08 -0.70 -0.34 0.00 0.00 178.44 178.28 1n62 s GLU 218 N -4.57 4.29 0.91 1.25 2.12 -0.95 -5.09 118.70 116.66 1n62 s GLU 218 Ca -0.05 0.47 -0.15 0.00 0.36 0.00 0.00 54.97 55.60 1n62 s GLU 218 Cb 0.15 -3.48 0.22 0.00 0.26 0.00 0.00 34.13 31.27 1n62 s GLU 218 CO 0.74 0.04 1.04 0.25 -0.54 0.00 0.00 175.26 176.78 1n62 n THR 219 N 4.00 0.00 -2.88 -1.70 -2.24 -1.26 -4.86 114.28 105.34 1n62 n THR 219 Ca -0.06 -0.65 -0.36 0.00 -2.27 0.00 0.00 64.05 60.71 1n62 n THR 219 Cb 0.51 -1.43 -0.06 0.00 -2.10 0.00 0.00 70.33 67.25 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 -2.35 0.52 0.19 0.00 -2.07 -1.26 -2.38 119.66 112.31 1n62 s GLN 221 Ca 0.52 -0.21 -0.19 0.00 -1.82 0.00 0.00 55.36 53.65 1n62 s GLN 221 Cb -0.15 0.23 0.04 0.00 -1.09 0.00 0.00 33.01 32.03 1n62 s GLN 221 CO 0.20 -0.23 0.55 0.00 -1.32 0.00 0.00 175.29 174.49 1n62 s VAL 223 N -3.84 1.29 -0.11 0.00 1.01 0.48 -0.79 120.40 118.44 1n62 s VAL 223 Ca 0.07 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 1n62 s VAL 223 Cb -0.01 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1n62 s VAL 223 CO -0.05 0.17 0.29 0.00 0.00 0.00 0.00 175.10 175.51 1n62 s ALA 224 N 1.56 3.68 -0.29 5.51 0.00 0.22 -0.59 121.76 131.84 1n62 s ALA 224 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 1n62 s ALA 224 Cb -0.15 -2.30 0.10 0.00 0.00 0.00 0.00 23.12 20.76 1n62 s ALA 224 CO -0.08 0.30 0.12 0.45 0.00 0.00 0.00 175.76 176.55 1n62 s SER 225 N -0.25 3.61 -0.22 0.00 0.15 0.13 -0.18 113.70 116.94 1n62 s SER 225 Ca 0.18 -1.35 -0.26 0.00 0.70 0.00 0.00 55.95 55.23 1n62 s SER 225 Cb -0.14 -0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1n62 s SER 225 CO 0.06 -0.43 0.87 -0.32 1.20 0.00 0.00 173.24 174.63 1n62 s MET 226 N 1.97 4.22 -0.66 5.44 1.75 -1.26 -0.60 119.30 130.16 1n62 s MET 226 Ca 0.09 1.04 -0.20 0.00 -1.25 0.00 0.00 55.69 55.37 1n62 s MET 226 Cb -0.16 -3.63 0.10 0.00 2.84 0.00 0.00 34.83 33.97 1n62 s MET 226 CO -0.32 -0.50 0.84 0.34 -0.65 0.00 0.00 175.02 174.73 1n62 s ASP 227 N 1.27 6.24 0.52 1.11 -1.08 0.56 -4.38 116.67 120.91 1n62 s ASP 227 Ca 0.37 -1.36 0.31 0.00 -0.52 0.00 0.00 52.55 51.35 1n62 s ASP 227 Cb -0.16 -2.35 1.09 0.00 -1.46 0.00 0.00 42.92 40.04 1n62 s ASP 227 CO 0.08 -1.22 1.88 0.11 0.52 0.00 0.00 175.17 176.54 1n62 h LYS 228 N 9.26 0.00 -0.21 4.34 1.57 -1.84 0.26 116.57 129.94 1n62 h LYS 228 Ca -0.24 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 1n62 h LYS 228 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1n62 h LYS 228 CO 1.12 0.00 -0.27 0.82 -0.57 0.00 0.00 179.45 180.56 1n62 h ILE 229 N 0.00 1.33 0.00 1.86 2.04 -1.95 -3.26 117.51 117.52 1n62 h ILE 229 Ca -0.00 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.40 1n62 h ILE 229 Cb 0.65 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1n62 h ILE 229 CO 0.00 0.45 -0.67 0.11 0.00 0.00 0.00 178.15 178.04 1n62 h LYS 230 N 0.24 0.00 -3.12 2.37 1.57 -1.93 -3.47 116.57 112.23 1n62 h LYS 230 Ca 0.03 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.56 1n62 h LYS 230 Cb 0.83 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.19 1n62 h LYS 230 CO 0.06 0.00 -0.38 0.41 -0.57 0.00 0.00 179.45 178.97 1n62 n GLY 231 N 1.25 -0.03 3.09 3.86 0.00 0.86 -5.02 105.19 109.20 1n62 n GLY 231 Ca 0.02 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.35 1.66 -0.19 1.61 2.02 -0.88 -4.90 118.70 112.67 1n62 s GLU 232 Ca 0.22 -0.52 -0.09 0.00 0.02 0.00 0.00 54.97 54.59 1n62 s GLU 232 Cb -0.10 -1.43 -0.05 0.00 0.10 0.00 0.00 34.13 32.66 1n62 s GLU 232 CO 0.27 0.18 0.12 -1.17 0.02 0.00 0.00 175.26 174.67 1n62 s LEU 233 N 0.20 4.14 -0.11 1.80 2.96 0.18 -0.33 118.68 127.52 1n62 s LEU 233 Ca -0.06 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1n62 s LEU 233 Cb -0.12 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1n62 s LEU 233 CO 0.02 0.19 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.32 1n62 s THR 234 N 0.32 3.97 -0.21 3.68 2.01 0.23 0.06 115.64 125.71 1n62 s THR 234 Ca 0.07 -0.36 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 1n62 s THR 234 Cb -0.11 -2.68 0.07 0.00 0.01 0.00 0.00 72.50 69.78 1n62 s THR 234 CO -0.01 0.56 0.07 -0.22 -0.69 0.00 0.00 174.62 174.33 1n62 s LEU 235 N -0.37 0.87 0.14 4.42 2.96 0.10 0.17 118.68 126.97 1n62 s LEU 235 Ca 0.06 -0.88 -0.21 0.00 -0.22 0.00 0.00 54.13 52.88 1n62 s LEU 235 Cb -0.12 -0.45 -0.07 0.00 0.50 0.00 0.00 46.19 46.04 1n62 s LEU 235 CO 0.02 -0.35 0.68 0.26 -1.32 0.00 0.00 176.35 175.64 1n62 s TRP 236 N 1.98 3.81 -0.02 5.38 0.51 0.24 -0.39 118.94 130.44 1n62 s TRP 236 Ca 0.02 1.42 -0.30 0.00 -2.12 0.00 0.00 56.10 55.13 1n62 s TRP 236 Cb -0.17 -2.62 0.11 0.00 -0.81 0.00 0.00 33.47 29.98 1n62 s TRP 236 CO -0.14 0.51 1.10 0.20 -0.51 0.00 0.00 176.95 178.11 1n62 s GLY 237 N -1.26 -0.35 -1.22 0.98 0.00 -0.34 -0.39 107.32 104.74 1n62 s GLY 237 Ca 0.35 0.85 -0.20 0.00 0.00 0.00 0.00 44.72 45.72 1n62 s GLY 237 CO 0.22 0.24 1.71 -0.51 0.00 0.00 0.00 173.10 174.76 1n62 s THR 238 N -2.78 4.01 -0.21 0.90 -4.23 -0.63 -4.25 115.64 108.45 1n62 s THR 238 Ca 0.11 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 1n62 s THR 238 Cb 0.01 -5.08 0.04 0.00 1.34 0.00 0.00 72.50 68.80 1n62 s THR 238 CO -0.04 -1.88 -0.15 -0.36 -0.54 0.00 0.00 174.62 171.65 1n62 s PHE 239 N 5.19 2.84 0.04 3.99 0.08 -1.26 -4.72 117.98 124.14 1n62 s PHE 239 Ca 0.54 -1.83 0.32 0.00 0.12 0.00 0.00 56.93 56.08 1n62 s PHE 239 Cb 0.02 -1.86 1.23 0.00 -0.57 0.00 0.00 43.02 41.84 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 7.90 0.00 -2.32 0.44 4.20 -1.21 -3.36 115.11 120.76 1n62 h GLN 240 Ca -0.35 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.78 1n62 h GLN 240 Cb 1.10 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.49 1n62 h GLN 240 CO 0.55 0.01 -0.94 0.00 -0.67 0.00 0.00 178.83 177.79 1n62 n ALA 241 N -2.10 2.89 0.07 3.87 0.00 -1.26 -1.14 120.51 122.84 1n62 n ALA 241 Ca 0.01 -3.51 -0.03 0.00 0.00 0.00 0.00 53.44 49.91 1n62 n ALA 241 Cb 0.34 -0.82 0.20 0.00 0.00 0.00 0.00 19.45 19.18 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 4.96 0.32 -0.37 0.00 0.13 -1.90 -1.57 132.00 133.57 1n62 h PRO 242 Ca 0.19 -0.15 -0.13 0.00 -0.87 0.00 0.00 66.00 65.04 1n62 h PRO 242 Cb 0.86 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1n62 h PRO 242 CO 0.48 0.66 -0.29 0.45 -0.23 0.00 0.00 178.00 179.07 1n62 h HIS 243 N 0.27 0.92 -0.57 1.56 3.86 -1.91 -0.08 115.15 119.21 1n62 h HIS 243 Ca 0.03 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 58.97 1n62 h HIS 243 Cb 0.81 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 1n62 h HIS 243 CO 0.02 0.99 0.25 0.28 0.86 0.00 0.00 177.93 180.33 1n62 h VAL 244 N 0.68 1.21 -0.70 2.45 2.07 -1.67 -1.00 116.25 119.30 1n62 h VAL 244 Ca 0.08 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1n62 h VAL 244 Cb 0.83 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1n62 h VAL 244 CO 0.07 0.25 0.44 0.40 0.02 0.00 0.00 177.57 178.75 1n62 h ILE 245 N 0.77 1.11 -0.22 4.57 1.08 -0.89 -0.49 117.51 123.43 1n62 h ILE 245 Ca 0.19 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.39 1n62 h ILE 245 Cb 0.16 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.04 1n62 h ILE 245 CO -0.02 0.16 0.04 -0.09 -0.69 0.00 0.00 178.15 177.55 1n62 h ARG 246 N 0.87 0.13 -0.68 2.37 2.43 -0.21 0.88 114.38 120.16 1n62 h ARG 246 Ca 0.28 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1n62 h ARG 246 Cb 0.00 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1n62 h ARG 246 CO -0.10 0.08 0.23 1.15 -1.51 0.00 0.00 179.97 179.82 1n62 h THR 247 N 0.13 1.25 -0.34 0.20 2.02 -0.61 0.37 112.91 115.93 1n62 h THR 247 Ca 0.10 -0.83 -0.07 0.00 0.77 0.00 0.00 66.41 66.38 1n62 h THR 247 Cb 0.09 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1n62 h THR 247 CO -0.13 0.33 -0.06 0.58 0.37 0.00 0.00 175.52 176.60 1n62 h VAL 248 N 1.00 1.27 -0.53 3.16 2.07 -0.71 -0.89 116.25 121.63 1n62 h VAL 248 Ca 0.22 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1n62 h VAL 248 Cb 0.26 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1n62 h VAL 248 CO -0.01 0.36 0.24 0.58 0.02 0.00 0.00 177.57 178.76 1n62 h VAL 249 N 0.42 1.18 -0.15 2.57 2.07 -0.51 -0.61 116.25 121.23 1n62 h VAL 249 Ca 0.09 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1n62 h VAL 249 Cb 0.55 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1n62 h VAL 249 CO 0.03 0.22 0.06 -1.28 0.02 0.00 0.00 177.57 176.61 1n62 h SER 250 N 0.74 0.20 0.02 0.57 0.87 -0.36 0.50 113.55 116.10 1n62 h SER 250 Ca 0.18 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 1n62 h SER 250 Cb 0.10 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1n62 h SER 250 CO -0.02 0.32 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.25 1n62 h LEU 251 N 0.08 0.39 0.00 2.23 3.38 -0.29 0.34 115.31 121.43 1n62 h LEU 251 Ca 0.05 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1n62 h LEU 251 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1n62 h LEU 251 CO -0.00 0.66 -1.32 2.30 0.09 0.00 0.00 178.44 180.17 1n62 n ILE 252 N -4.12 0.67 -0.05 1.22 -5.35 -0.32 -4.15 119.36 107.25 1n62 n ILE 252 Ca -0.01 -0.58 -0.08 0.00 -0.27 0.00 0.00 62.75 61.81 1n62 n ILE 252 Cb 0.40 -0.37 -0.15 0.00 -1.74 0.00 0.00 39.64 37.78 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 -2.65 0.45 0.00 7.28 3.41 0.15 -4.92 113.62 117.34 1n62 n SER 253 Ca -0.04 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1n62 n SER 253 Cb 0.64 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 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 1.63 1.24 3.76 5.00 0.00 0.09 -5.03 105.19 111.88 1n62 n GLY 254 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 4.53 0.50 0.99 1.43 -1.24 -5.02 118.68 119.87 1n62 s LEU 255 Ca 0.00 2.19 -0.20 0.00 -1.03 0.00 0.00 54.13 55.10 1n62 s LEU 255 Cb 0.00 -3.68 -0.08 0.00 0.03 0.00 0.00 46.19 42.46 1n62 s LEU 255 CO 0.00 -0.13 1.04 -2.16 0.23 0.00 0.00 176.35 175.33 1n62 s PRO 256 N -1.51 3.75 0.38 1.29 0.04 -1.26 -4.31 135.00 133.37 1n62 s PRO 256 Ca 0.45 1.32 0.09 0.00 0.04 0.00 0.00 61.00 62.90 1n62 s PRO 256 Cb -0.30 -2.09 0.83 0.00 0.04 0.00 0.00 34.50 32.98 1n62 s PRO 256 CO 0.38 -0.47 1.94 0.93 0.04 0.00 0.00 177.00 179.82 1n62 h GLU 257 N 1.40 0.64 0.00 4.56 5.08 -1.91 -0.57 114.58 123.78 1n62 h GLU 257 Ca -0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1n62 h GLU 257 Cb 1.22 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1n62 h GLU 257 CO 0.59 0.42 0.00 -2.39 -1.00 0.00 0.00 179.01 176.63 1n62 n HIS 258 N -4.50 0.00 -0.94 4.33 1.44 -1.26 -2.12 115.22 112.18 1n62 n HIS 258 Ca 0.12 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.92 1n62 n HIS 258 Cb 0.33 -0.28 0.20 0.00 0.12 0.00 0.00 29.99 30.36 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 2.34 -3.94 -1.40 5.02 -0.23 -4.88 118.16 113.78 1n62 n LYS 259 Ca 0.08 -2.65 -0.29 0.00 -2.02 0.00 0.00 58.31 53.43 1n62 n LYS 259 Cb 0.14 -1.66 -0.16 0.00 -0.02 0.00 0.00 35.03 33.33 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 -2.67 1.32 -0.59 -0.18 1.01 -0.90 -0.65 121.20 118.55 1n62 s ILE 260 Ca 0.36 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 1n62 s ILE 260 Cb 0.29 -1.40 0.15 0.00 0.01 0.00 0.00 42.46 41.51 1n62 s ILE 260 CO 0.07 0.23 0.42 -1.00 0.00 0.00 0.00 174.94 174.65 1n62 s HIS 261 N 1.55 3.48 0.04 3.97 3.76 0.11 -4.84 115.29 123.36 1n62 s HIS 261 Ca 0.01 -2.47 -0.22 0.00 -0.15 0.00 0.00 55.06 52.23 1n62 s HIS 261 Cb -0.15 -3.31 -0.06 0.00 1.11 0.00 0.00 32.58 30.18 1n62 s HIS 261 CO -0.08 -0.90 0.66 0.08 -0.85 0.00 0.00 174.74 173.64 1n62 s VAL 262 N 0.37 4.78 -0.19 -0.90 1.01 -1.26 -0.72 120.40 123.49 1n62 s VAL 262 Ca 0.14 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.51 1n62 s VAL 262 Cb -0.20 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.23 1n62 s VAL 262 CO -0.04 0.43 -0.03 -0.63 0.00 0.00 0.00 175.10 174.83 1n62 s ILE 263 N -0.37 1.09 -0.43 2.22 1.01 0.47 -1.09 121.20 124.10 1n62 s ILE 263 Ca 0.33 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 1n62 s ILE 263 Cb -0.19 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 40.95 1n62 s ILE 263 CO 0.20 -0.00 0.41 0.00 0.00 0.00 0.00 174.94 175.55 1n62 s ALA 264 N 1.62 3.45 0.43 9.38 0.00 0.21 -1.20 121.76 135.65 1n62 s ALA 264 Ca -0.01 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.32 1n62 s ALA 264 Cb -0.17 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1n62 s ALA 264 CO -0.07 -1.60 0.00 -0.35 0.00 0.00 0.00 175.76 173.74 1n62 n PRO 265 N 5.50 3.46 -2.18 0.00 -0.04 -1.26 -4.49 135.00 135.99 1n62 n PRO 265 Ca -0.08 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.98 1n62 n PRO 265 Cb 0.47 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.91 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 6.61 -0.10 3.54 1.01 0.08 -5.00 116.67 121.81 1n62 s ASP 266 Ca 0.00 2.54 0.02 0.00 0.71 0.00 0.00 52.55 55.82 1n62 s ASP 266 Cb 0.00 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.31 1n62 s ASP 266 CO 0.00 -0.63 -0.15 -0.63 0.21 0.00 0.00 175.17 173.97 1n62 s ILE 267 N -1.25 1.44 -1.48 0.77 1.01 -1.26 -4.08 121.20 116.36 1n62 s ILE 267 Ca 0.53 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 1n62 s ILE 267 Cb -0.36 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1n62 s ILE 267 CO 0.47 0.43 2.83 0.61 0.00 0.00 0.00 174.94 179.28 1n62 n GLY 268 N 4.11 4.47 0.00 6.18 0.00 -1.26 -4.35 105.19 114.34 1n62 n GLY 268 Ca -0.20 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 3.01 -1.73 1.46 -0.02 0.00 -1.16 -2.24 105.19 104.51 1n62 n GLY 269 Ca 0.73 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.55 -0.10 2.40 -0.02 0.00 -1.26 -4.72 105.19 100.94 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 -3.22 -0.70 0.00 1.61 3.72 -1.26 -0.96 117.46 116.65 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 0.11 -3.41 0.00 0.00 -0.94 0.00 0.00 39.48 35.24 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 -0.68 1.95 0.28 1.37 0.00 -1.26 0.41 105.19 107.26 1n62 n GLY 272 Ca -0.20 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.21 1.61 -1.24 -1.39 -3.26 115.58 111.09 1n62 h ASN 273 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 1n62 h ASN 273 Cb 0.00 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 1n62 h ASN 273 CO 0.00 0.07 -0.11 0.29 -1.29 0.00 0.00 177.43 176.39 1n62 n LYS 274 N -3.31 1.97 -0.06 6.67 5.02 -1.26 -4.59 118.16 122.61 1n62 n LYS 274 Ca -0.01 -3.01 -0.06 0.00 -2.02 0.00 0.00 58.31 53.20 1n62 n LYS 274 Cb 0.25 -1.74 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 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 1.02 0.81 -3.51 -0.18 2.07 -1.85 0.20 116.25 114.82 1n62 h VAL 275 Ca 0.09 -1.59 -0.46 0.00 0.82 0.00 0.00 66.70 65.56 1n62 h VAL 275 Cb 1.39 1.53 0.10 0.00 -1.52 0.00 0.00 31.29 32.78 1n62 h VAL 275 CO 0.22 0.27 0.25 -0.83 0.02 0.00 0.00 177.57 177.50 1n62 s GLY 276 N -3.83 1.72 0.38 2.17 0.00 -1.26 -4.56 107.32 101.93 1n62 s GLY 276 Ca -0.09 -1.15 -0.18 0.00 0.00 0.00 0.00 44.72 43.31 1n62 s GLY 276 CO 0.32 -0.62 0.84 0.00 0.00 0.00 0.00 173.10 173.63 1n62 s ALA 277 N -3.38 3.18 0.28 3.20 0.00 -1.26 -5.01 121.76 118.77 1n62 s ALA 277 Ca 0.65 0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.89 1n62 s ALA 277 Cb -0.08 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 1n62 s ALA 277 CO 0.47 0.22 -0.10 0.71 0.00 0.00 0.00 175.76 177.05 1n62 s TYR 278 N -2.10 2.06 0.35 0.00 2.02 -1.26 -5.02 117.35 113.40 1n62 s TYR 278 Ca 0.58 -0.58 0.07 0.00 -0.37 0.00 0.00 57.07 56.77 1n62 s TYR 278 Cb -0.10 -1.11 0.77 0.00 -0.40 0.00 0.00 41.96 41.12 1n62 s TYR 278 CO 0.16 0.42 1.88 0.77 -1.57 0.00 0.00 175.55 177.21 1n62 h SER 279 N 2.26 0.70 -1.01 2.29 0.02 -1.90 -0.69 113.55 115.23 1n62 h SER 279 Ca -0.40 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 60.71 1n62 h SER 279 Cb 1.24 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 63.59 1n62 h SER 279 CO 0.66 0.37 0.63 1.23 -1.14 0.00 0.00 176.83 178.59 1n62 h GLY 280 N 0.75 1.66 0.88 -3.77 0.00 -1.95 0.18 103.07 100.82 1n62 h GLY 280 Ca 0.44 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 1n62 h GLY 280 CO -0.20 0.15 -0.25 -0.97 0.00 0.00 0.00 176.54 175.27 1n62 h TYR 281 N 0.99 0.69 -0.46 5.60 0.05 -1.53 -0.49 116.97 121.81 1n62 h TYR 281 Ca 0.50 -0.21 -0.06 0.00 0.05 0.00 0.00 58.73 59.01 1n62 h TYR 281 Cb 0.51 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 1n62 h TYR 281 CO -0.00 0.92 0.05 0.28 -1.05 0.00 0.00 178.16 178.36 1n62 h VAL 282 N 0.26 1.25 -0.45 -2.88 2.07 -1.12 -1.31 116.25 114.07 1n62 h VAL 282 Ca 0.03 -0.95 -0.12 0.00 0.82 0.00 0.00 66.70 66.48 1n62 h VAL 282 Cb 0.81 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1n62 h VAL 282 CO 0.06 0.33 -0.21 0.00 0.02 0.00 0.00 177.57 177.77 1n62 h ALA 284 N 0.97 0.74 0.15 0.00 0.00 -0.93 0.94 119.26 121.13 1n62 h ALA 284 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1n62 h ALA 284 Cb 0.76 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1n62 h ALA 284 CO 0.06 0.23 -0.07 0.28 0.00 0.00 0.00 179.25 179.75 1n62 h VAL 285 N 0.79 0.86 -0.36 0.00 2.07 -0.91 -0.30 116.25 118.40 1n62 h VAL 285 Ca 0.21 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.73 1n62 h VAL 285 Cb -0.01 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1n62 h VAL 285 CO -0.04 0.00 0.18 0.58 0.02 0.00 0.00 177.57 178.32 1n62 h VAL 286 N -0.21 0.99 -0.97 2.57 2.07 -0.76 0.59 116.25 120.53 1n62 h VAL 286 Ca -0.02 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1n62 h VAL 286 Cb 0.16 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1n62 h VAL 286 CO 0.03 0.07 0.64 0.00 0.02 0.00 0.00 177.57 178.33 1n62 h ALA 287 N 1.18 1.25 -0.31 1.67 0.00 -0.67 0.58 119.26 122.97 1n62 h ALA 287 Ca 0.15 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1n62 h ALA 287 Cb 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1n62 h ALA 287 CO -0.10 0.58 -0.46 1.03 0.00 0.00 0.00 179.25 180.30 1n62 h SER 288 N 1.28 0.88 -0.55 0.00 0.87 -0.41 0.94 113.55 116.56 1n62 h SER 288 Ca 0.37 -0.43 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1n62 h SER 288 Cb -0.09 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.60 1n62 h SER 288 CO -0.10 1.20 0.27 0.40 -0.53 0.00 0.00 176.83 178.07 1n62 h ILE 289 N 0.65 1.20 -0.10 2.23 2.04 -0.31 0.70 117.51 123.92 1n62 h ILE 289 Ca 0.04 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1n62 h ILE 289 Cb 1.04 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1n62 h ILE 289 CO 0.10 0.23 0.03 0.58 0.00 0.00 0.00 178.15 179.10 1n62 h VAL 290 N 0.74 1.17 0.00 1.67 2.07 -0.64 -3.29 116.25 117.96 1n62 h VAL 290 Ca 0.19 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1n62 h VAL 290 Cb 0.12 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1n62 h VAL 290 CO -0.02 0.15 -0.85 -0.07 0.02 0.00 0.00 177.57 176.79 1n62 h LEU 291 N -0.01 0.00 1.29 2.57 3.38 -0.71 -3.48 115.31 118.35 1n62 h LEU 291 Ca 0.03 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.65 1n62 h LEU 291 Cb 0.20 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 1n62 h LEU 291 CO -0.00 0.02 -0.32 0.61 0.09 0.00 0.00 178.44 178.84 1n62 n GLY 292 N 1.21 0.82 3.27 0.83 0.00 0.24 -5.01 105.19 106.54 1n62 n GLY 292 Ca 0.01 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.63 0.68 0.52 1.61 -7.23 -1.23 -4.72 120.40 107.39 1n62 s VAL 293 Ca 0.00 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 57.98 1n62 s VAL 293 Cb 0.00 -2.26 -0.07 0.00 0.56 0.00 0.00 36.38 34.61 1n62 s VAL 293 CO 0.00 -0.35 1.09 -2.84 -0.31 0.00 0.00 175.10 172.69 1n62 s PRO 294 N -3.94 3.56 -0.08 4.82 0.02 -1.26 -4.38 135.00 133.73 1n62 s PRO 294 Ca 0.28 1.50 -0.00 0.00 0.02 0.00 0.00 61.00 62.80 1n62 s PRO 294 Cb 0.06 -2.05 0.02 0.00 0.02 0.00 0.00 34.50 32.56 1n62 s PRO 294 CO 0.07 -0.66 -0.05 0.08 -0.33 0.00 0.00 177.00 176.11 1n62 s VAL 295 N -1.86 0.73 0.01 3.83 1.01 0.75 -0.38 120.40 124.48 1n62 s VAL 295 Ca 0.70 -0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.45 1n62 s VAL 295 Cb -0.21 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1n62 s VAL 295 CO 0.24 0.30 0.32 -0.75 0.00 0.00 0.00 175.10 175.21 1n62 s LYS 296 N 1.55 3.69 -0.05 2.72 2.20 0.53 -0.61 119.74 129.78 1n62 s LYS 296 Ca 0.00 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1n62 s LYS 296 Cb -0.13 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 33.10 1n62 s LYS 296 CO -0.05 0.66 -0.02 -0.46 -0.36 0.00 0.00 175.35 175.12 1n62 s TRP 297 N -1.23 0.67 -0.08 4.03 -0.00 0.03 -0.22 118.94 122.15 1n62 s TRP 297 Ca 0.26 -0.17 -0.01 0.00 -0.00 0.00 0.00 56.10 56.18 1n62 s TRP 297 Cb -0.14 -0.68 0.03 0.00 -0.00 0.00 0.00 33.47 32.68 1n62 s TRP 297 CO 0.14 -0.23 -0.03 0.08 -0.00 0.00 0.00 176.95 176.91 1n62 s VAL 298 N 1.29 0.57 0.39 5.86 1.01 -1.26 -0.67 120.40 127.58 1n62 s VAL 298 Ca -0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1n62 s VAL 298 Cb -0.13 -0.66 -0.07 0.00 0.00 0.00 0.00 36.38 35.51 1n62 s VAL 298 CO -0.02 0.28 0.78 -1.83 0.00 0.00 0.00 175.10 174.31 1n62 s GLU 299 N 1.71 3.86 0.58 2.72 -1.05 -1.00 -5.02 118.70 120.50 1n62 s GLU 299 Ca 0.02 0.57 -0.05 0.00 -0.15 0.00 0.00 54.97 55.36 1n62 s GLU 299 Cb -0.13 -2.38 0.01 0.00 -0.44 0.00 0.00 34.13 31.20 1n62 s GLU 299 CO -0.05 -0.01 0.88 -0.51 0.95 0.00 0.00 175.26 176.53 1n62 s ASP 300 N -2.90 5.56 0.18 0.83 1.01 -1.26 -4.73 116.67 115.36 1n62 s ASP 300 Ca 0.53 0.64 -0.12 0.00 0.71 0.00 0.00 52.55 54.31 1n62 s ASP 300 Cb -0.10 -1.63 0.16 0.00 1.01 0.00 0.00 42.92 42.35 1n62 s ASP 300 CO 0.27 -1.07 1.79 -0.09 0.21 0.00 0.00 175.17 176.28 1n62 h ARG 301 N -0.14 0.50 -0.67 8.23 9.65 -1.97 0.80 114.38 130.78 1n62 h ARG 301 Ca -0.45 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.38 1n62 h ARG 301 Cb 1.26 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.69 1n62 h ARG 301 CO 0.60 0.33 0.36 0.52 2.80 0.00 0.00 179.97 184.58 1n62 h MET 302 N 0.52 0.92 -0.08 0.20 2.86 -1.95 0.36 114.93 117.77 1n62 h MET 302 Ca 0.24 -0.10 -0.19 0.00 -2.06 0.00 0.00 59.70 57.59 1n62 h MET 302 Cb 0.15 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1n62 h MET 302 CO -0.17 0.68 -0.75 0.93 1.06 0.00 0.00 176.91 178.67 1n62 h GLU 303 N 0.93 0.42 -0.17 1.72 3.07 -1.61 -2.28 114.58 116.67 1n62 h GLU 303 Ca 0.24 -0.35 0.03 0.00 -0.50 0.00 0.00 59.36 58.77 1n62 h GLU 303 Cb 0.03 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 1n62 h GLU 303 CO -0.04 0.99 -0.02 -0.97 -1.40 0.00 0.00 179.01 177.57 1n62 h ASN 304 N 0.29 -0.11 0.38 1.42 -0.73 -0.04 0.43 115.58 117.22 1n62 h ASN 304 Ca -0.03 0.04 -0.11 0.00 1.87 0.00 0.00 56.30 58.07 1n62 h ASN 304 Cb 1.33 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.99 1n62 h ASN 304 CO 0.13 -0.03 -0.47 -0.07 -0.37 0.00 0.00 177.43 176.61 1n62 h LEU 305 N 0.03 0.12 -0.50 0.34 3.38 -0.88 -2.73 115.31 115.06 1n62 h LEU 305 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1n62 h LEU 305 Cb 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1n62 h LEU 305 CO -0.16 0.58 -0.63 -1.54 0.09 0.00 0.00 178.44 176.78 1n62 n SER 306 N -3.97 1.39 0.00 -0.43 3.41 -0.86 -4.62 113.62 108.53 1n62 n SER 306 Ca -0.02 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 1n62 n SER 306 Cb 0.51 0.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.18 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 -0.71 0.00 -3.95 6.66 -2.24 0.12 -4.49 114.28 109.67 1n62 n THR 307 Ca 0.06 -0.15 -0.27 0.00 -2.27 0.00 0.00 64.05 61.42 1n62 n THR 307 Cb 0.35 1.22 -0.01 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.21 1.52 -0.21 4.28 -4.23 -1.03 -4.73 115.64 111.03 1n62 s THR 308 Ca 0.00 -1.52 -0.35 0.00 -1.18 0.00 0.00 61.69 58.64 1n62 s THR 308 Cb 0.00 -2.04 -0.12 0.00 1.34 0.00 0.00 72.50 71.68 1n62 s THR 308 CO 0.00 0.00 1.98 -1.54 -0.54 0.00 0.00 174.62 174.52 1n62 n SER 309 N -1.77 2.90 -4.78 3.99 3.41 -1.26 -4.78 113.62 111.34 1n62 n SER 309 Ca -0.03 0.76 -0.29 0.00 -0.26 0.00 0.00 58.87 59.05 1n62 n SER 309 Cb 0.65 -1.32 0.13 0.00 -0.26 0.00 0.00 64.21 63.41 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 5.31 2.54 0.13 7.33 -0.12 -1.05 -4.37 117.98 127.76 1n62 s PHE 310 Ca 0.99 0.90 0.08 0.00 -0.05 0.00 0.00 56.93 58.85 1n62 s PHE 310 Cb -0.76 -3.35 -0.04 0.00 -0.63 0.00 0.00 43.02 38.24 1n62 s PHE 310 CO 0.52 -2.31 -0.19 0.00 -0.05 0.00 0.00 175.22 173.19 1n62 s ALA 311 N -3.24 1.84 0.00 1.99 0.00 -0.11 -0.15 121.76 122.08 1n62 s ALA 311 Ca 0.63 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1n62 s ALA 311 Cb -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1n62 s ALA 311 CO 0.54 0.26 0.00 0.54 0.00 0.00 0.00 175.76 177.10 1n62 n ARG 312 N 0.65 0.00 -2.86 0.00 5.12 -0.85 -1.16 116.66 117.56 1n62 n ARG 312 Ca -0.16 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.66 1n62 n ARG 312 Cb 0.56 0.00 0.05 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 5.78 -2.31 -4.47 0.55 -0.08 0.21 -4.75 116.55 111.48 1n62 n ASP 313 Ca 0.00 -0.35 -0.33 0.00 -1.51 0.00 0.00 54.79 52.60 1n62 n ASP 313 Cb 0.00 -3.16 -0.13 0.00 2.34 0.00 0.00 41.12 40.17 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 -3.20 2.81 -0.35 -0.67 1.51 -0.85 -1.63 117.35 114.96 1n62 s TYR 314 Ca 0.04 -0.27 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1n62 s TYR 314 Cb -0.02 -1.74 0.08 0.00 -0.11 0.00 0.00 41.96 40.18 1n62 s TYR 314 CO 0.42 0.08 0.09 -1.01 -1.11 0.00 0.00 175.55 174.02 1n62 s HIS 315 N -0.34 3.45 -0.36 2.71 3.76 0.01 -0.34 115.29 124.19 1n62 s HIS 315 Ca 0.04 -2.22 -0.05 0.00 -0.15 0.00 0.00 55.06 52.68 1n62 s HIS 315 Cb -0.13 -2.65 0.07 0.00 1.11 0.00 0.00 32.58 30.98 1n62 s HIS 315 CO 0.02 -0.89 0.13 -1.64 -0.85 0.00 0.00 174.74 171.51 1n62 s MET 316 N 1.17 2.41 -0.46 1.40 1.00 0.71 -0.88 119.30 124.65 1n62 s MET 316 Ca 0.02 -1.41 -0.27 0.00 0.00 0.00 0.00 55.69 54.03 1n62 s MET 316 Cb -0.21 -3.47 0.03 0.00 0.00 0.00 0.00 34.83 31.18 1n62 s MET 316 CO -0.03 -0.81 1.00 0.99 0.00 0.00 0.00 175.02 176.17 1n62 s THR 317 N 1.30 4.39 -0.11 2.05 2.01 0.62 -0.89 115.64 125.01 1n62 s THR 317 Ca 0.01 0.95 0.01 0.00 0.31 0.00 0.00 61.69 62.97 1n62 s THR 317 Cb -0.21 -4.48 0.02 0.00 0.01 0.00 0.00 72.50 67.83 1n62 s THR 317 CO -0.00 -0.87 -0.13 -0.89 -0.69 0.00 0.00 174.62 172.04 1n62 s THR 318 N 3.97 1.33 -0.02 -0.82 2.01 0.48 -0.69 115.64 121.91 1n62 s THR 318 Ca 0.41 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.92 1n62 s THR 318 Cb -0.09 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 1n62 s THR 318 CO 0.27 0.41 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.87 1n62 s GLU 319 N 1.14 1.23 -0.05 4.92 2.02 0.44 -1.44 118.70 126.96 1n62 s GLU 319 Ca -0.04 -0.49 0.05 0.00 0.02 0.00 0.00 54.97 54.51 1n62 s GLU 319 Cb -0.14 -1.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.92 1n62 s GLU 319 CO -0.03 0.27 -0.22 -0.51 0.02 0.00 0.00 175.26 174.79 1n62 s LEU 320 N -0.19 2.28 -0.13 1.80 1.43 0.03 -1.06 118.68 122.85 1n62 s LEU 320 Ca 0.03 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1n62 s LEU 320 Cb -0.07 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1n62 s LEU 320 CO 0.00 0.28 0.09 0.00 0.23 0.00 0.00 176.35 176.95 1n62 s ALA 321 N -0.38 3.63 0.12 4.21 0.00 -0.18 -0.53 121.76 128.62 1n62 s ALA 321 Ca 0.03 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1n62 s ALA 321 Cb -0.12 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.14 1n62 s ALA 321 CO 0.02 0.48 0.29 0.00 0.00 0.00 0.00 175.76 176.54 1n62 s ALA 322 N -0.57 -0.45 0.65 0.00 0.00 0.06 -0.06 121.76 121.39 1n62 s ALA 322 Ca 0.11 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1n62 s ALA 322 Cb -0.12 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 1n62 s ALA 322 CO 0.02 -0.58 1.04 0.95 0.00 0.00 0.00 175.76 177.19 1n62 s THR 323 N -3.86 4.41 0.50 0.00 -4.23 -0.27 -1.05 115.64 111.14 1n62 s THR 323 Ca 0.06 0.78 0.30 0.00 -1.18 0.00 0.00 61.69 61.65 1n62 s THR 323 Cb 0.03 -3.69 0.33 0.00 1.34 0.00 0.00 72.50 70.51 1n62 s THR 323 CO -0.09 -1.02 2.17 0.11 -0.54 0.00 0.00 174.62 175.24 1n62 h LYS 324 N -0.48 0.00 -0.00 3.99 1.57 -1.91 -0.11 116.57 119.64 1n62 h LYS 324 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1n62 h LYS 324 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1n62 h LYS 324 CO 0.60 0.06 -0.03 -0.40 -0.57 0.00 0.00 179.45 179.11 1n62 n ASP 325 N -3.67 0.31 0.00 0.86 5.75 -1.26 -4.91 116.55 113.62 1n62 n ASP 325 Ca -0.02 -0.76 0.00 0.00 -0.01 0.00 0.00 54.79 54.00 1n62 n ASP 325 Cb 0.16 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1n62 n ASP 325 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n62 n GLY 326 N 1.16 1.19 3.67 6.12 0.00 -0.05 -5.06 105.19 112.21 1n62 n GLY 326 Ca 0.19 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1n62 n GLY 326 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n62 s LYS 327 N -1.75 4.22 -0.15 1.61 2.20 -1.26 -4.81 119.74 119.80 1n62 s LYS 327 Ca 0.00 0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 55.83 1n62 s LYS 327 Cb 0.00 -3.56 -0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1n62 s LYS 327 CO 0.00 -0.15 1.02 0.42 -0.36 0.00 0.00 175.35 176.28 1n62 s ILE 328 N 1.64 4.74 -0.17 5.43 1.01 -1.26 -1.11 121.20 131.48 1n62 s ILE 328 Ca 0.26 2.03 0.19 0.00 0.00 0.00 0.00 60.65 63.13 1n62 s ILE 328 Cb -0.16 -4.31 -0.26 0.00 0.01 0.00 0.00 42.46 37.74 1n62 s ILE 328 CO 0.10 -0.07 0.17 0.18 0.00 0.00 0.00 174.94 175.32 1n62 n LEU 329 N 5.51 0.03 -3.57 2.97 4.77 0.91 -4.56 117.00 123.06 1n62 n LEU 329 Ca 0.10 0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 56.03 1n62 n LEU 329 Cb 0.48 0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.95 1n62 n LEU 329 CO 0.52 0.40 0.76 0.00 -1.33 0.00 0.00 177.39 177.74 1n62 s ALA 330 N -2.68 -1.84 -0.02 -1.18 0.00 -1.16 -3.97 121.76 110.89 1n62 s ALA 330 Ca -0.09 0.90 0.03 0.00 0.00 0.00 0.00 51.96 52.80 1n62 s ALA 330 Cb 0.08 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.58 1n62 s ALA 330 CO 0.84 -0.77 -0.12 1.41 0.00 0.00 0.00 175.76 177.13 1n62 s MET 331 N -3.02 1.15 -0.08 0.00 1.75 -1.15 -1.01 119.30 116.93 1n62 s MET 331 Ca 0.07 -0.43 0.00 0.00 -1.25 0.00 0.00 55.69 54.09 1n62 s MET 331 Cb -0.01 -1.07 0.02 0.00 2.84 0.00 0.00 34.83 36.62 1n62 s MET 331 CO -0.06 0.21 -0.07 0.50 -0.65 0.00 0.00 175.02 174.95 1n62 s ARG 332 N -0.05 1.23 -0.01 4.11 3.52 -0.22 -1.22 118.95 126.30 1n62 s ARG 332 Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 1n62 s ARG 332 Cb -0.08 -1.24 0.02 0.00 -1.56 0.00 0.00 34.95 32.09 1n62 s ARG 332 CO 0.00 -0.15 0.01 0.00 -0.81 0.00 0.00 175.30 174.36 1n62 s HIS 334 N 0.65 1.17 -0.03 0.00 -3.43 0.14 -1.20 115.29 112.58 1n62 s HIS 334 Ca -0.06 -0.28 0.07 0.00 -0.80 0.00 0.00 55.06 53.99 1n62 s HIS 334 Cb -0.08 -0.79 -0.02 0.00 -1.43 0.00 0.00 32.58 30.26 1n62 s HIS 334 CO -0.02 -0.08 -0.24 0.08 -2.00 0.00 0.00 174.74 172.48 1n62 s VAL 335 N -0.02 2.22 -0.29 -5.38 1.01 0.29 -0.27 120.40 117.95 1n62 s VAL 335 Ca -0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 1n62 s VAL 335 Cb -0.08 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 1n62 s VAL 335 CO 0.00 0.58 0.10 -0.22 0.00 0.00 0.00 175.10 175.56 1n62 s LEU 336 N -0.51 3.88 -0.25 3.92 2.96 -0.06 -0.94 118.68 127.68 1n62 s LEU 336 Ca 0.07 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.31 1n62 s LEU 336 Cb -0.11 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1n62 s LEU 336 CO 0.00 -0.17 0.07 0.00 -1.32 0.00 0.00 176.35 174.93 1n62 s ALA 337 N 1.55 3.19 -0.46 5.97 0.00 0.80 -0.81 121.76 132.00 1n62 s ALA 337 Ca 0.04 -1.10 -0.20 0.00 0.00 0.00 0.00 51.96 50.69 1n62 s ALA 337 Cb -0.17 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 20.90 1n62 s ALA 337 CO 0.04 -0.44 0.65 0.34 0.00 0.00 0.00 175.76 176.35 1n62 s ASP 338 N 1.53 6.29 0.00 0.00 -1.08 -0.65 -0.96 116.67 121.81 1n62 s ASP 338 Ca 0.06 -0.49 0.23 0.00 -0.52 0.00 0.00 52.55 51.83 1n62 s ASP 338 Cb -0.15 -2.32 0.48 0.00 -1.46 0.00 0.00 42.92 39.47 1n62 s ASP 338 CO 0.04 -0.83 1.42 1.41 0.52 0.00 0.00 175.17 177.73 1n62 n HIS 339 N 6.30 0.41 -4.73 -5.34 8.25 -0.49 -4.84 115.22 114.79 1n62 n HIS 339 Ca -0.03 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1n62 n HIS 339 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 1.42 0.34 0.07 -1.41 0.00 -1.26 -4.07 105.19 100.28 1n62 n GLY 340 Ca 0.18 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.73 0.40 -3.87 4.61 0.00 0.64 -1.76 119.26 118.54 1n62 h ALA 341 Ca 0.00 -0.88 -0.46 0.00 0.00 0.00 0.00 54.91 53.57 1n62 h ALA 341 Cb 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 17.79 17.38 1n62 h ALA 341 CO 0.00 1.20 -0.80 -0.06 0.00 0.00 0.00 179.25 179.59 1n62 s PHE 342 N -2.79 1.25 -0.79 0.00 0.08 -1.26 -4.84 117.98 109.64 1n62 s PHE 342 Ca 0.01 -0.32 -0.22 0.00 0.12 0.00 0.00 56.93 56.51 1n62 s PHE 342 Cb 0.10 -0.76 0.08 0.00 -0.57 0.00 0.00 43.02 41.87 1n62 s PHE 342 CO 0.82 0.02 1.11 0.34 -0.10 0.00 0.00 175.22 177.41 1n62 s ASP 343 N -0.94 6.34 -0.24 1.36 -1.08 -1.26 -4.52 116.67 116.33 1n62 s ASP 343 Ca 0.03 -1.27 0.12 0.00 -0.52 0.00 0.00 52.55 50.91 1n62 s ASP 343 Cb -0.07 -2.45 0.51 0.00 -1.46 0.00 0.00 42.92 39.45 1n62 s ASP 343 CO 0.01 -1.40 1.44 0.00 0.52 0.00 0.00 175.17 175.74 1n62 n ALA 344 N 7.77 3.72 -2.27 3.66 0.00 -1.26 -4.10 120.51 128.02 1n62 n ALA 344 Ca 0.09 -2.78 -0.43 0.00 0.00 0.00 0.00 53.44 50.32 1n62 n ALA 344 Cb 0.48 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 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 4.85 3.30 -0.26 0.00 0.00 -1.26 -3.62 121.76 124.77 1n62 s ALA 346 Ca 0.64 1.43 -0.36 0.00 0.00 0.00 0.00 51.96 53.67 1n62 s ALA 346 Cb -0.20 -3.57 0.16 0.00 0.00 0.00 0.00 23.12 19.51 1n62 s ALA 346 CO 0.26 -1.09 1.33 -0.51 0.00 0.00 0.00 175.76 175.75 1n62 s ASP 347 N -0.49 -0.05 0.64 0.00 1.01 -1.26 -4.63 116.67 111.89 1n62 s ASP 347 Ca 0.59 0.01 -0.18 0.00 0.71 0.00 0.00 52.55 53.68 1n62 s ASP 347 Cb -0.43 0.05 -0.01 0.00 1.01 0.00 0.00 42.92 43.54 1n62 s ASP 347 CO 0.56 -0.08 1.26 -2.84 0.21 0.00 0.00 175.17 174.28 1n62 s PRO 348 N -1.97 2.61 0.55 8.23 0.02 -1.26 -4.77 135.00 138.42 1n62 s PRO 348 Ca 0.10 1.97 0.32 0.00 0.02 0.00 0.00 61.00 63.42 1n62 s PRO 348 Cb -0.01 -1.86 1.60 0.00 0.02 0.00 0.00 34.50 34.25 1n62 s PRO 348 CO -0.04 -1.52 2.10 0.66 -0.33 0.00 0.00 177.00 177.87 1n62 h SER 349 N 0.55 0.00 -0.12 2.53 4.64 -1.22 -1.37 113.55 118.55 1n62 h SER 349 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 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 0.53 0.07 0.00 0.29 -0.87 0.00 0.00 176.83 176.86 1n62 n LYS 350 N -3.40 1.72 -3.65 4.77 5.02 -1.26 -4.65 118.16 116.70 1n62 n LYS 350 Ca -0.01 -1.07 -0.28 0.00 -2.02 0.00 0.00 58.31 54.93 1n62 n LYS 350 Cb 0.23 -1.43 -0.11 0.00 -0.02 0.00 0.00 35.03 33.70 1n62 n LYS 350 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1n62 s TRP 351 N -1.86 2.34 -0.47 2.13 0.52 -0.52 -4.95 118.94 116.14 1n62 s TRP 351 Ca 0.34 -2.84 0.24 0.00 0.02 0.00 0.00 56.10 53.87 1n62 s TRP 351 Cb 0.19 -1.83 0.99 0.00 -1.15 0.00 0.00 33.47 31.67 1n62 s TRP 351 CO 0.29 -0.69 1.73 -0.35 0.02 0.00 0.00 176.95 177.95 1n62 n PRO 352 N 2.42 0.21 -0.96 4.98 -0.04 -1.26 -1.09 135.00 139.26 1n62 n PRO 352 Ca 0.24 0.42 -0.04 0.00 -0.04 0.00 0.00 63.50 64.08 1n62 n PRO 352 Cb 0.41 -1.89 0.17 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.79 4.21 -0.58 0.55 0.00 -1.26 -5.04 120.51 116.59 1n62 n ALA 353 Ca 0.02 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.10 1n62 n ALA 353 Cb 0.25 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.04 2.00 2.23 0.00 0.00 -0.25 -1.80 105.19 106.34 1n62 n GLY 354 Ca 0.29 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 11.20 3.06 0.25 1.61 3.72 0.16 -4.56 117.46 132.91 1n62 n PHE 355 Ca 0.00 -2.75 0.18 0.00 -0.05 0.00 0.00 57.45 54.83 1n62 n PHE 355 Cb 0.00 -1.18 0.89 0.00 -0.94 0.00 0.00 39.48 38.25 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 1.92 0.00 -0.53 -1.08 1.85 -1.43 0.12 114.93 115.77 1n62 h MET 356 Ca 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.65 1n62 h MET 356 Cb 1.13 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.16 1n62 h MET 356 CO 1.37 0.00 0.00 0.27 -0.40 0.00 0.00 176.91 178.15 1n62 n ASN 357 N -3.51 0.53 -1.05 1.39 6.94 -1.26 -1.52 115.26 116.78 1n62 n ASN 357 Ca 0.00 -1.55 0.07 0.00 -0.02 0.00 0.00 54.58 53.08 1n62 n ASN 357 Cb 0.30 -0.27 0.23 0.00 -2.36 0.00 0.00 39.78 37.68 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 -0.08 0.99 1.22 1.53 0.13 0.03 -4.52 119.36 118.65 1n62 n ILE 358 Ca 0.00 -0.72 0.10 0.00 -1.10 0.00 0.00 62.75 61.03 1n62 n ILE 358 Cb 0.13 0.12 0.60 0.00 -0.84 0.00 0.00 39.64 39.65 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 -1.09 0.00 -4.78 0.00 -2.24 -1.26 -4.35 114.28 100.56 1n62 n THR 360 Ca 0.14 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1n62 n THR 360 Cb 0.10 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 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 1.35 2.02 0.84 3.38 0.00 -0.21 -3.13 105.19 109.45 1n62 n GLY 361 Ca 0.12 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.66 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 0.73 2.42 -4.48 1.61 7.64 -1.26 -4.82 113.62 115.46 1n62 n SER 362 Ca 0.00 -2.12 -0.30 0.00 1.01 0.00 0.00 58.87 57.46 1n62 n SER 362 Cb 0.00 -0.34 -0.12 0.00 -1.01 0.00 0.00 64.21 62.74 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 -1.59 2.59 -0.60 1.43 2.02 -1.18 -1.24 117.35 118.77 1n62 s TYR 363 Ca 0.27 -0.23 -0.23 0.00 -0.37 0.00 0.00 57.07 56.51 1n62 s TYR 363 Cb 0.16 -1.45 0.06 0.00 -0.40 0.00 0.00 41.96 40.33 1n62 s TYR 363 CO 0.15 0.30 0.91 0.34 -1.57 0.00 0.00 175.55 175.69 1n62 s ASP 364 N -1.63 6.24 0.05 2.29 2.15 0.23 -4.70 116.67 121.29 1n62 s ASP 364 Ca 0.16 -0.76 0.09 0.00 0.43 0.00 0.00 52.55 52.47 1n62 s ASP 364 Cb -0.11 -2.41 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1n62 s ASP 364 CO 0.07 -1.30 -0.25 -0.04 -0.17 0.00 0.00 175.17 173.48 1n62 s MET 365 N 3.83 1.81 0.19 4.34 -1.94 -1.26 -4.85 119.30 121.41 1n62 s MET 365 Ca 0.24 -1.11 -0.05 0.00 -1.71 0.00 0.00 55.69 53.06 1n62 s MET 365 Cb -0.16 -2.01 0.10 0.00 2.01 0.00 0.00 34.83 34.78 1n62 s MET 365 CO 0.13 0.51 1.52 -1.35 -0.01 0.00 0.00 175.02 175.82 1n62 h PRO 366 N 4.66 0.65 -3.19 2.03 0.11 -1.80 -3.41 132.00 131.06 1n62 h PRO 366 Ca -0.47 -0.38 -0.07 0.00 0.11 0.00 0.00 66.00 65.19 1n62 h PRO 366 Cb 1.15 0.03 -0.16 0.00 0.11 0.00 0.00 31.00 32.13 1n62 h PRO 366 CO 0.44 0.99 -0.13 0.54 -0.21 0.00 0.00 178.00 179.62 1n62 s VAL 367 N -4.15 0.07 0.14 3.15 0.11 -1.25 -4.87 120.40 113.59 1n62 s VAL 367 Ca -0.08 -0.55 -0.25 0.00 -2.93 0.00 0.00 61.98 58.17 1n62 s VAL 367 Cb 0.11 -1.01 0.07 0.00 -1.53 0.00 0.00 36.38 34.02 1n62 s VAL 367 CO 0.85 -0.30 0.82 0.00 -3.33 0.00 0.00 175.10 173.13 1n62 s ALA 368 N -2.85 -1.59 -0.12 1.54 0.00 -1.26 -2.96 121.76 114.52 1n62 s ALA 368 Ca -0.03 0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.16 1n62 s ALA 368 Cb 0.00 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1n62 s ALA 368 CO -0.05 -0.90 0.31 -1.58 0.00 0.00 0.00 175.76 173.54 1n62 s HIS 369 N -3.47 -0.35 -0.03 0.00 2.46 -0.36 -1.28 115.29 112.27 1n62 s HIS 369 Ca 0.08 0.84 0.02 0.00 0.47 0.00 0.00 55.06 56.47 1n62 s HIS 369 Cb -0.02 0.12 0.00 0.00 -0.13 0.00 0.00 32.58 32.55 1n62 s HIS 369 CO -0.03 -0.17 -0.09 -1.17 -2.47 0.00 0.00 174.74 170.81 1n62 s LEU 370 N 0.28 1.76 -0.00 8.88 2.96 -0.12 -1.31 118.68 131.14 1n62 s LEU 370 Ca -0.01 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1n62 s LEU 370 Cb -0.03 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.12 1n62 s LEU 370 CO -0.01 0.05 -0.11 0.00 -1.32 0.00 0.00 176.35 174.97 1n62 s ALA 371 N 0.25 0.88 -0.04 5.97 0.00 -0.34 -1.05 121.76 127.42 1n62 s ALA 371 Ca -0.04 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1n62 s ALA 371 Cb -0.09 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1n62 s ALA 371 CO 0.00 0.20 -0.03 0.08 0.00 0.00 0.00 175.76 176.02 1n62 s VAL 372 N -0.35 0.44 -0.13 0.00 1.01 0.55 -0.55 120.40 121.37 1n62 s VAL 372 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1n62 s VAL 372 Cb -0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1n62 s VAL 372 CO -0.00 0.21 -0.10 -1.81 0.00 0.00 0.00 175.10 173.40 1n62 s ASP 373 N 0.99 4.29 -0.10 3.32 1.01 -0.12 -0.64 116.67 125.42 1n62 s ASP 373 Ca -0.10 -0.24 -0.05 0.00 0.71 0.00 0.00 52.55 52.87 1n62 s ASP 373 Cb -0.14 -1.58 -0.04 0.00 1.01 0.00 0.00 42.92 42.17 1n62 s ASP 373 CO -0.01 0.19 0.10 -0.83 0.21 0.00 0.00 175.17 174.84 1n62 s GLY 374 N 0.19 2.08 0.13 0.21 0.00 -0.48 -0.14 107.32 109.30 1n62 s GLY 374 Ca -0.06 -0.69 0.06 0.00 0.00 0.00 0.00 44.72 44.02 1n62 s GLY 374 CO 0.04 -0.45 -0.13 -1.34 0.00 0.00 0.00 173.10 171.22 1n62 s VAL 375 N -1.01 1.30 0.13 1.40 -7.23 -0.13 -0.19 120.40 114.67 1n62 s VAL 375 Ca 0.15 -1.79 -0.18 0.00 -1.81 0.00 0.00 61.98 58.35 1n62 s VAL 375 Cb -0.12 -1.59 -0.07 0.00 0.56 0.00 0.00 36.38 35.16 1n62 s VAL 375 CO 0.04 -0.48 0.60 -0.31 -0.31 0.00 0.00 175.10 174.64 1n62 s TYR 376 N -2.38 3.72 0.22 2.82 2.02 0.03 -1.40 117.35 122.38 1n62 s TYR 376 Ca 0.11 1.25 -0.03 0.00 -0.37 0.00 0.00 57.07 58.03 1n62 s TYR 376 Cb -0.03 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 39.00 1n62 s TYR 376 CO 0.03 0.49 0.21 0.95 -1.57 0.00 0.00 175.55 175.66 1n62 s THR 377 N -1.29 0.00 -1.40 -0.71 -4.23 -0.66 -4.90 115.64 102.44 1n62 s THR 377 Ca 0.35 -1.88 -0.11 0.00 -1.18 0.00 0.00 61.69 58.87 1n62 s THR 377 Cb -0.18 -2.45 0.08 0.00 1.34 0.00 0.00 72.50 71.30 1n62 s THR 377 CO 0.20 0.00 2.21 0.59 -0.54 0.00 0.00 174.62 177.08 1n62 n ASN 378 N -0.36 5.43 -4.12 3.99 5.03 0.52 -1.10 115.26 124.65 1n62 n ASN 378 Ca 0.02 -2.94 -0.10 0.00 0.87 0.00 0.00 54.58 52.42 1n62 n ASN 378 Cb 0.65 -1.54 -0.09 0.00 -1.02 0.00 0.00 39.78 37.78 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 1.51 1.15 0.86 3.52 1.02 -1.23 -4.54 119.74 122.04 1n62 s LYS 379 Ca 0.48 -1.44 -0.12 0.00 0.02 0.00 0.00 55.97 54.91 1n62 s LYS 379 Cb 0.13 0.31 0.12 0.00 -0.52 0.00 0.00 37.83 37.87 1n62 s LYS 379 CO -0.05 -0.39 1.17 0.00 -0.92 0.00 0.00 175.35 175.16 1n62 n ALA 380 N -0.22 -0.43 -1.98 5.17 0.00 -1.26 -0.84 120.51 120.95 1n62 n ALA 380 Ca -0.02 -0.44 -0.24 0.00 0.00 0.00 0.00 53.44 52.73 1n62 n ALA 380 Cb 0.64 -2.22 0.09 0.00 0.00 0.00 0.00 19.45 17.97 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 -2.37 4.49 0.00 0.00 1.04 -1.26 -4.02 113.70 111.58 1n62 s SER 381 Ca 0.70 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1n62 s SER 381 Cb -0.26 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1n62 s SER 381 CO 0.54 -1.75 0.00 0.61 0.98 0.00 0.00 173.24 173.62 1n62 n GLY 382 N -2.82 0.42 0.00 7.32 0.00 -1.26 -2.52 105.19 106.34 1n62 n GLY 382 Ca 0.13 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 3.38 3.45 -0.02 0.00 0.78 -3.70 105.19 109.09 1n62 n GLY 383 Ca 0.00 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 5.24 -0.08 1.61 1.01 -1.26 -2.00 120.40 124.92 1n62 s VAL 384 Ca 0.00 -0.68 -0.32 0.00 0.00 0.00 0.00 61.98 60.98 1n62 s VAL 384 Cb 0.00 -3.93 0.13 0.00 0.00 0.00 0.00 36.38 32.59 1n62 s VAL 384 CO 0.00 -0.32 1.40 0.00 0.00 0.00 0.00 175.10 176.18 1n62 s ALA 385 N 1.67 -2.52 -0.69 5.51 0.00 -1.26 -4.45 121.76 120.02 1n62 s ALA 385 Ca 0.05 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 1n62 s ALA 385 Cb -0.19 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1n62 s ALA 385 CO 0.10 -1.09 0.59 0.98 0.00 0.00 0.00 175.76 176.34 1n62 n TYR 386 N -0.61 -1.46 -3.73 0.00 9.36 0.17 -3.33 117.16 117.56 1n62 n TYR 386 Ca -0.06 0.55 -0.25 0.00 3.32 0.00 0.00 57.90 61.46 1n62 n TYR 386 Cb 0.62 -3.66 0.05 0.00 -0.63 0.00 0.00 39.34 35.72 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 -2.71 -6.33 0.07 2.98 1.74 -1.25 -4.91 116.66 106.25 1n62 n ARG 387 Ca -0.10 0.70 0.11 0.00 -0.77 0.00 0.00 57.85 57.80 1n62 n ARG 387 Cb 0.59 -5.60 0.02 0.00 -1.02 0.00 0.00 32.46 26.44 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 -2.39 -5.59 -1.95 0.00 7.64 -1.26 0.29 113.62 110.36 1n62 n SER 389 Ca 0.01 0.18 -0.01 0.00 1.01 0.00 0.00 58.87 60.05 1n62 n SER 389 Cb 0.51 -4.76 0.01 0.00 -1.01 0.00 0.00 64.21 58.95 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 -3.39 -0.79 -1.16 1.43 3.72 -1.26 -4.30 117.46 111.71 1n62 n PHE 390 Ca -0.23 0.29 -0.06 0.00 -0.05 0.00 0.00 57.45 57.41 1n62 n PHE 390 Cb 0.67 -2.42 -0.02 0.00 -0.94 0.00 0.00 39.48 36.77 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 -1.42 -0.95 0.09 -1.08 5.12 -1.04 0.40 116.66 117.78 1n62 n ARG 391 Ca -0.01 0.58 -0.06 0.00 -1.93 0.00 0.00 57.85 56.44 1n62 n ARG 391 Cb 0.51 -4.49 0.08 0.00 -1.16 0.00 0.00 32.46 27.40 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 1.44 -0.52 1.55 2.07 -0.35 -1.18 116.25 119.26 1n62 h VAL 392 Ca -0.12 -2.25 0.10 0.00 0.82 0.00 0.00 66.70 65.26 1n62 h VAL 392 Cb 0.65 2.20 -0.10 0.00 -1.52 0.00 0.00 31.29 32.51 1n62 h VAL 392 CO 0.17 0.66 -0.14 0.71 0.02 0.00 0.00 177.57 178.99 1n62 h THR 393 N 0.13 0.47 -0.28 2.57 1.35 -1.72 0.12 112.91 115.54 1n62 h THR 393 Ca -0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.80 1n62 h THR 393 Cb 1.26 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 1n62 h THR 393 CO 0.11 0.00 0.02 -0.33 -0.25 0.00 0.00 175.52 175.07 1n62 h GLU 394 N -0.01 0.48 -0.43 4.72 3.07 -1.80 -0.67 114.58 119.94 1n62 h GLU 394 Ca 0.25 -0.14 0.05 0.00 -0.50 0.00 0.00 59.36 59.01 1n62 h GLU 394 Cb 0.39 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 1n62 h GLU 394 CO -0.54 0.62 0.18 0.00 -1.40 0.00 0.00 179.01 177.87 1n62 h ALA 395 N 0.84 0.53 -0.31 3.43 0.00 -0.73 0.38 119.26 123.40 1n62 h ALA 395 Ca 0.08 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1n62 h ALA 395 Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1n62 h ALA 395 CO 0.01 -0.19 -0.43 0.28 0.00 0.00 0.00 179.25 178.91 1n62 h VAL 396 N 0.37 1.28 -0.32 0.00 2.07 -0.69 -1.77 116.25 117.20 1n62 h VAL 396 Ca 0.19 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1n62 h VAL 396 Cb 0.15 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1n62 h VAL 396 CO -0.17 0.53 0.20 0.22 0.02 0.00 0.00 177.57 178.37 1n62 h TYR 397 N 0.64 0.41 -0.10 1.57 3.20 -0.89 0.18 116.97 121.98 1n62 h TYR 397 Ca 0.04 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1n62 h TYR 397 Cb 1.00 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 1n62 h TYR 397 CO 0.06 0.29 -0.17 0.00 -1.64 0.00 0.00 178.16 176.69 1n62 h ALA 398 N 1.09 -0.13 -0.15 1.82 0.00 -0.69 -0.24 119.26 120.96 1n62 h ALA 398 Ca 0.12 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 1n62 h ALA 398 Cb -0.01 0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1n62 h ALA 398 CO -0.02 -0.64 -0.70 0.97 0.00 0.00 0.00 179.25 178.86 1n62 h ILE 399 N -0.23 1.30 0.00 0.00 6.09 -1.11 -0.37 117.51 123.18 1n62 h ILE 399 Ca 0.09 -1.92 -0.11 0.00 -1.37 0.00 0.00 64.86 61.54 1n62 h ILE 399 Cb 0.36 2.02 -0.02 0.00 0.47 0.00 0.00 36.82 39.65 1n62 h ILE 399 CO -0.24 0.60 -0.54 -0.33 -3.07 0.00 0.00 178.15 174.57 1n62 h GLU 400 N 0.44 0.00 -0.23 2.19 4.39 -0.56 0.17 114.58 120.99 1n62 h GLU 400 Ca -0.05 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 1n62 h GLU 400 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1n62 h GLU 400 CO 0.15 0.54 -0.46 0.00 -1.16 0.00 0.00 179.01 178.08 1n62 h ARG 401 N 0.00 0.71 -0.51 2.33 2.47 -1.06 -3.04 114.38 115.29 1n62 h ARG 401 Ca -0.01 -0.46 -0.03 0.00 -1.26 0.00 0.00 59.98 58.22 1n62 h ARG 401 Cb 1.12 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.48 1n62 h ARG 401 CO 0.07 1.08 0.18 0.00 0.56 0.00 0.00 179.97 181.86 1n62 h ALA 402 N 0.62 1.36 -0.69 0.04 0.00 -0.47 0.14 119.26 120.26 1n62 h ALA 402 Ca 0.01 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1n62 h ALA 402 Cb 1.06 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1n62 h ALA 402 CO 0.10 0.47 0.44 0.82 0.00 0.00 0.00 179.25 181.08 1n62 h ILE 403 N 0.73 1.12 -0.30 0.00 1.08 -0.68 0.77 117.51 120.23 1n62 h ILE 403 Ca 0.17 -0.30 -0.13 0.00 -0.39 0.00 0.00 64.86 64.21 1n62 h ILE 403 Cb 0.19 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1n62 h ILE 403 CO -0.01 0.16 -0.33 -0.33 -0.69 0.00 0.00 178.15 176.94 1n62 h GLU 404 N 0.88 0.75 -0.04 2.37 4.39 -1.12 0.12 114.58 121.93 1n62 h GLU 404 Ca 0.27 -0.41 -0.13 0.00 0.34 0.00 0.00 59.36 59.43 1n62 h GLU 404 Cb -0.02 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1n62 h GLU 404 CO -0.09 1.04 -0.58 1.79 -1.16 0.00 0.00 179.01 180.00 1n62 h THR 405 N 0.51 1.40 -0.26 1.13 1.35 -0.82 -1.10 112.91 115.11 1n62 h THR 405 Ca 0.04 -1.97 -0.05 0.00 -0.55 0.00 0.00 66.41 63.89 1n62 h THR 405 Cb 0.91 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 1n62 h THR 405 CO 0.08 0.57 -0.04 0.25 -0.25 0.00 0.00 175.52 176.14 1n62 h LEU 406 N 0.10 0.49 -0.87 3.87 5.85 -0.75 -1.94 115.31 122.07 1n62 h LEU 406 Ca -0.00 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.42 1n62 h LEU 406 Cb 1.06 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1n62 h LEU 406 CO 0.08 0.72 0.55 0.00 -0.34 0.00 0.00 178.44 179.45 1n62 h ALA 407 N 0.79 1.16 -0.29 1.25 0.00 -0.42 0.14 119.26 121.89 1n62 h ALA 407 Ca 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1n62 h ALA 407 Cb 0.49 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1n62 h ALA 407 CO 0.02 0.36 0.14 1.96 0.00 0.00 0.00 179.25 181.72 1n62 h GLN 408 N 1.04 0.29 -0.00 0.00 4.20 -1.11 0.67 115.11 120.19 1n62 h GLN 408 Ca 0.36 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 59.00 1n62 h GLN 408 Cb 0.07 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1n62 h GLN 408 CO -0.14 0.19 -0.23 0.00 -0.67 0.00 0.00 178.83 177.98 1n62 h ARG 409 N 0.29 0.01 -0.00 1.46 3.08 -0.46 -1.98 114.38 116.79 1n62 h ARG 409 Ca 0.12 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1n62 h ARG 409 Cb 0.05 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1n62 h ARG 409 CO -0.09 0.24 -0.20 1.28 -1.07 0.00 0.00 179.97 180.13 1n62 n LEU 410 N -4.26 0.25 -3.71 3.04 4.77 0.39 -4.94 117.00 112.55 1n62 n LEU 410 Ca -0.02 0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 55.97 1n62 n LEU 410 Cb 0.29 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1n62 n LEU 410 CO 0.37 0.06 0.02 -0.62 -1.33 0.00 0.00 177.39 175.89 1n62 n GLU 411 N -1.42 -5.51 -4.42 3.23 1.02 0.06 -4.99 120.64 108.62 1n62 n GLU 411 Ca 0.08 0.66 -0.25 0.00 -0.02 0.00 0.00 57.16 57.63 1n62 n GLU 411 Cb 0.33 -5.39 -0.13 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 -6.07 1.24 0.19 3.49 1.75 -0.24 -5.03 119.30 114.62 1n62 s MET 412 Ca 0.19 -1.10 -0.31 0.00 -1.25 0.00 0.00 55.69 53.23 1n62 s MET 412 Cb -0.09 -1.47 -0.09 0.00 2.84 0.00 0.00 34.83 36.02 1n62 s MET 412 CO 0.80 0.35 1.44 0.34 -0.65 0.00 0.00 175.02 177.30 1n62 s ASP 413 N -1.66 6.71 0.42 1.11 -1.08 -1.26 -4.38 116.67 116.53 1n62 s ASP 413 Ca 0.07 2.53 0.27 0.00 -0.52 0.00 0.00 52.55 54.90 1n62 s ASP 413 Cb -0.10 -2.60 0.80 0.00 -1.46 0.00 0.00 42.92 39.56 1n62 s ASP 413 CO 0.03 -0.70 1.76 0.77 0.52 0.00 0.00 175.17 177.56 1n62 h SER 414 N 5.96 0.00 -0.33 -0.34 4.64 -1.92 -0.96 113.55 120.61 1n62 h SER 414 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 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 0.83 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 176.67 1n62 h ALA 415 N 2.11 0.45 -0.80 5.18 0.00 -1.98 -1.75 119.26 122.47 1n62 h ALA 415 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1n62 h ALA 415 Cb 0.74 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1n62 h ALA 415 CO 0.00 0.34 0.44 -0.44 0.00 0.00 0.00 179.25 179.58 1n62 h ASP 416 N 0.43 1.00 -0.68 0.00 3.32 -1.80 -0.37 116.42 118.33 1n62 h ASP 416 Ca 0.08 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1n62 h ASP 416 Cb 0.65 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1n62 h ASP 416 CO 0.04 0.81 0.33 0.25 -1.72 0.00 0.00 179.24 178.95 1n62 h LEU 417 N 1.13 0.88 0.02 1.55 5.85 -1.02 -0.63 115.31 123.08 1n62 h LEU 417 Ca 0.28 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1n62 h LEU 417 Cb 0.03 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.84 1n62 h LEU 417 CO -0.05 0.77 -0.01 0.03 -0.34 0.00 0.00 178.44 178.84 1n62 h ARG 418 N 0.94 -0.02 -0.72 1.25 3.08 -0.89 -2.84 114.38 115.18 1n62 h ARG 418 Ca 0.23 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.32 1n62 h ARG 418 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1n62 h ARG 418 CO -0.03 0.09 0.48 0.82 -1.07 0.00 0.00 179.97 180.25 1n62 h ILE 419 N -0.12 1.10 0.00 2.04 2.04 -0.73 0.30 117.51 122.14 1n62 h ILE 419 Ca -0.00 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1n62 h ILE 419 Cb 0.12 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1n62 h ILE 419 CO 0.00 0.16 -0.06 0.50 0.00 0.00 0.00 178.15 178.75 1n62 h LYS 420 N 0.86 0.00 -0.00 2.37 3.64 -0.90 -3.24 116.57 119.31 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 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1n62 h LYS 420 CO -0.08 0.06 -0.04 0.09 -2.27 0.00 0.00 179.45 177.20 1n62 n ASN 421 N -3.40 0.79 -4.69 4.20 3.02 -0.09 -4.98 115.26 110.11 1n62 n ASN 421 Ca -0.02 -0.89 -0.40 0.00 -0.03 0.00 0.00 54.58 53.24 1n62 n ASN 421 Cb 0.20 0.39 0.03 0.00 -0.61 0.00 0.00 39.78 39.78 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 -0.32 1.86 -1.78 3.10 3.72 -0.12 -0.60 117.46 123.31 1n62 n PHE 422 Ca 0.01 0.48 -0.42 0.00 -0.05 0.00 0.00 57.45 57.48 1n62 n PHE 422 Cb 0.05 -2.32 -0.02 0.00 -0.94 0.00 0.00 39.48 36.25 1n62 n PHE 422 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1n62 s ILE 423 N -1.28 2.12 0.34 4.37 1.01 -0.38 -4.52 121.20 122.87 1n62 s ILE 423 Ca 0.66 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 1n62 s ILE 423 Cb -0.48 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1n62 s ILE 423 CO 0.54 0.01 0.58 -1.10 0.00 0.00 0.00 174.94 174.97 1n62 s GLN 424 N 0.11 3.55 0.44 2.79 -1.52 -1.26 -4.53 119.66 119.24 1n62 s GLN 424 Ca 0.67 -0.13 0.11 0.00 -1.95 0.00 0.00 55.36 54.06 1n62 s GLN 424 Cb -0.48 -2.62 0.96 0.00 -0.22 0.00 0.00 33.01 30.65 1n62 s GLN 424 CO 0.42 0.13 2.03 -1.35 -0.25 0.00 0.00 175.29 176.27 1n62 h PRO 425 N 1.07 0.25 0.00 2.91 0.10 -1.95 0.12 132.00 134.50 1n62 h PRO 425 Ca -0.48 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.59 1n62 h PRO 425 Cb 1.20 -0.05 0.00 0.00 0.10 0.00 0.00 31.00 32.26 1n62 h PRO 425 CO 0.63 0.25 0.00 -0.85 0.10 0.00 0.00 178.00 178.13 1n62 n GLU 426 N -4.42 0.07 0.00 1.05 0.00 -1.26 -2.36 120.64 113.73 1n62 n GLU 426 Ca -0.00 0.20 0.14 0.00 0.00 0.00 0.00 57.16 57.50 1n62 n GLU 426 Cb 0.15 -1.61 0.60 0.00 0.00 0.00 0.00 31.44 30.58 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 -1.74 0.01 -3.18 3.44 6.02 0.03 -4.85 117.38 117.11 1n62 n GLN 427 Ca 0.05 -0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.68 1n62 n GLN 427 Cb 0.27 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.97 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 -2.99 3.58 0.06 1.08 0.40 -0.99 -2.94 117.98 116.18 1n62 s PHE 428 Ca 0.14 1.26 -0.31 0.00 -0.60 0.00 0.00 56.93 57.43 1n62 s PHE 428 Cb 0.19 -2.53 -0.06 0.00 0.51 0.00 0.00 43.02 41.13 1n62 s PHE 428 CO 0.54 0.31 1.27 -2.14 0.70 0.00 0.00 175.22 175.90 1n62 s PRO 429 N -2.18 4.38 -0.31 0.24 0.02 -1.26 -5.00 135.00 130.89 1n62 s PRO 429 Ca 0.44 1.86 -0.10 0.00 0.02 0.00 0.00 61.00 63.22 1n62 s PRO 429 Cb -0.15 -3.37 -0.02 0.00 0.02 0.00 0.00 34.50 30.99 1n62 s PRO 429 CO 0.20 -0.36 0.17 -0.47 -0.33 0.00 0.00 177.00 176.21 1n62 s TYR 430 N 1.34 3.18 -0.49 6.54 5.04 -0.49 -4.86 117.35 127.61 1n62 s TYR 430 Ca 0.61 -0.42 -0.29 0.00 -2.44 0.00 0.00 57.07 54.53 1n62 s TYR 430 Cb -0.31 -2.37 0.03 0.00 0.35 0.00 0.00 41.96 39.66 1n62 s TYR 430 CO 0.28 -0.40 1.18 1.41 -1.34 0.00 0.00 175.55 176.68 1n62 s MET 431 N 1.65 3.67 0.63 4.97 -2.45 -1.26 -0.31 119.30 126.20 1n62 s MET 431 Ca 0.05 0.55 -0.11 0.00 -1.25 0.00 0.00 55.69 54.93 1n62 s MET 431 Cb -0.17 -3.94 -0.03 0.00 1.25 0.00 0.00 34.83 31.95 1n62 s MET 431 CO 0.07 -1.46 1.03 0.00 1.05 0.00 0.00 175.02 175.72 1n62 s ALA 432 N 4.65 3.07 -1.95 4.11 0.00 0.40 -4.94 121.76 127.11 1n62 s ALA 432 Ca 0.49 -0.18 0.26 0.00 0.00 0.00 0.00 51.96 52.52 1n62 s ALA 432 Cb -0.08 -3.03 1.52 0.00 0.00 0.00 0.00 23.12 21.53 1n62 s ALA 432 CO 0.31 -0.78 1.90 -0.35 0.00 0.00 0.00 175.76 176.84 1n62 n PRO 433 N -2.78 0.77 -0.21 0.00 -0.04 -1.26 -1.46 135.00 130.02 1n62 n PRO 433 Ca 0.06 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 1n62 n PRO 433 Cb 0.55 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.02 2.91 0.00 1.53 4.77 -1.26 -4.44 117.00 119.49 1n62 n LEU 434 Ca 0.19 -2.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.28 1n62 n LEU 434 Cb 0.10 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1n62 n LEU 434 CO 0.15 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1n62 n GLY 435 N -0.89 1.77 3.78 -0.72 0.00 -0.54 -4.81 105.19 103.79 1n62 n GLY 435 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.24 3.87 -0.45 1.61 0.52 -1.26 -4.82 118.94 116.18 1n62 s TRP 436 Ca 0.00 1.57 -0.10 0.00 0.02 0.00 0.00 56.10 57.59 1n62 s TRP 436 Cb 0.00 -2.72 0.10 0.00 -1.15 0.00 0.00 33.47 29.70 1n62 s TRP 436 CO 0.00 0.51 0.31 -2.00 0.02 0.00 0.00 176.95 175.79 1n62 s GLU 437 N -1.23 2.58 0.27 4.98 2.12 -1.26 -0.45 118.70 125.70 1n62 s GLU 437 Ca 0.36 -1.59 -0.29 0.00 0.36 0.00 0.00 54.97 53.80 1n62 s GLU 437 Cb -0.22 -3.87 -0.10 0.00 0.26 0.00 0.00 34.13 30.20 1n62 s GLU 437 CO 0.25 -1.07 1.29 0.71 -0.54 0.00 0.00 175.26 175.90 1n62 s TYR 438 N 1.41 3.20 -0.10 5.30 1.51 0.58 -4.75 117.35 124.50 1n62 s TYR 438 Ca 0.04 1.35 -0.26 0.00 -1.01 0.00 0.00 57.07 57.19 1n62 s TYR 438 Cb -0.25 -3.61 -0.26 0.00 -0.11 0.00 0.00 41.96 37.73 1n62 s TYR 438 CO 0.01 -1.75 0.87 0.38 -1.11 0.00 0.00 175.55 173.95 1n62 h ASP 439 N 4.33 0.15 -4.77 2.29 2.03 -1.88 -1.31 116.42 117.26 1n62 h ASP 439 Ca -0.47 -0.92 0.01 0.00 -0.73 0.00 0.00 57.03 54.92 1n62 h ASP 439 Cb 1.22 -0.05 -0.17 0.00 -0.83 0.00 0.00 39.33 39.50 1n62 h ASP 439 CO 0.71 1.06 0.32 -0.94 -1.03 0.00 0.00 179.24 179.36 1n62 s SER 440 N -6.39 -0.52 -0.28 4.15 1.04 -1.26 -4.13 113.70 106.31 1n62 s SER 440 Ca -0.17 0.31 -0.26 0.00 0.48 0.00 0.00 55.95 56.31 1n62 s SER 440 Cb -0.01 0.48 0.18 0.00 0.10 0.00 0.00 66.02 66.77 1n62 s SER 440 CO 0.73 -0.67 1.34 -0.83 0.98 0.00 0.00 173.24 174.79 1n62 s GLY 441 N -1.89 0.19 -0.54 7.32 0.00 -1.26 -4.82 107.32 106.31 1n62 s GLY 441 Ca -0.03 3.15 0.04 0.00 0.00 0.00 0.00 44.72 47.89 1n62 s GLY 441 CO -0.02 1.67 0.40 0.21 0.00 0.00 0.00 173.10 175.36 1n62 s ASN 442 N -0.27 3.18 0.07 1.64 3.04 -1.26 -4.05 114.94 117.28 1n62 s ASN 442 Ca 0.07 -3.36 -0.15 0.00 0.04 0.00 0.00 52.86 49.45 1n62 s ASN 442 Cb -0.04 -1.03 -0.17 0.00 -1.54 0.00 0.00 41.25 38.48 1n62 s ASN 442 CO -0.11 -0.14 1.27 1.88 -3.04 0.00 0.00 177.10 176.95 1n62 h TYR 443 N 5.67 0.88 -0.50 0.43 0.05 -1.94 -2.84 116.97 118.71 1n62 h TYR 443 Ca 0.18 -0.38 -0.05 0.00 0.05 0.00 0.00 58.73 58.53 1n62 h TYR 443 Cb 0.84 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.42 1n62 h TYR 443 CO 0.47 1.19 0.12 -1.35 -1.05 0.00 0.00 178.16 177.54 1n62 h PRO 444 N 0.32 0.76 -0.38 4.88 0.11 -1.93 0.24 132.00 136.00 1n62 h PRO 444 Ca -0.04 -0.15 -0.07 0.00 0.11 0.00 0.00 66.00 65.85 1n62 h PRO 444 Cb 1.25 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1n62 h PRO 444 CO 0.13 0.69 -0.04 1.25 -0.21 0.00 0.00 178.00 179.81 1n62 h LEU 445 N 0.74 0.70 -0.42 2.35 6.46 -1.99 -0.82 115.31 122.34 1n62 h LEU 445 Ca 0.17 -0.34 -0.09 0.00 -0.12 0.00 0.00 57.88 57.50 1n62 h LEU 445 Cb 0.27 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 1n62 h LEU 445 CO -0.00 0.87 -0.09 0.00 -0.62 0.00 0.00 178.44 178.60 1n62 h ALA 446 N 0.86 0.57 -0.75 1.25 0.00 -1.19 -0.78 119.26 119.22 1n62 h ALA 446 Ca 0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1n62 h ALA 446 Cb 0.54 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1n62 h ALA 446 CO 0.03 0.44 0.32 1.98 0.00 0.00 0.00 179.25 182.02 1n62 h MET 447 N 0.62 1.11 -0.44 0.00 1.85 -0.78 -0.17 114.93 117.11 1n62 h MET 447 Ca 0.11 -0.19 -0.06 0.00 -0.61 0.00 0.00 59.70 58.96 1n62 h MET 447 Cb 0.61 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 32.44 1n62 h MET 447 CO 0.04 0.89 0.06 -0.22 -0.40 0.00 0.00 176.91 177.27 1n62 h LYS 448 N 1.07 0.74 -0.55 0.39 3.64 -0.96 0.29 116.57 121.19 1n62 h LYS 448 Ca 0.25 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1n62 h LYS 448 Cb 0.18 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1n62 h LYS 448 CO -0.03 0.77 0.36 -0.22 -2.27 0.00 0.00 179.45 178.06 1n62 h LYS 449 N 0.59 0.70 0.16 1.90 3.64 -0.75 0.66 116.57 123.48 1n62 h LYS 449 Ca 0.13 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1n62 h LYS 449 Cb 0.40 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1n62 h LYS 449 CO 0.01 0.46 -0.08 0.00 -2.27 0.00 0.00 179.45 177.58 1n62 h ALA 450 N 1.22 -0.22 -0.78 5.00 0.00 -0.75 -0.68 119.26 123.04 1n62 h ALA 450 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1n62 h ALA 450 Cb -0.05 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1n62 h ALA 450 CO -0.06 -0.53 0.44 0.52 0.00 0.00 0.00 179.25 179.62 1n62 h MET 451 N -0.40 1.08 -0.41 0.00 2.86 -0.70 -1.24 114.93 116.11 1n62 h MET 451 Ca -0.02 -0.11 -0.14 0.00 -2.06 0.00 0.00 59.70 57.37 1n62 h MET 451 Cb 0.32 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1n62 h MET 451 CO 0.04 0.78 -0.29 -0.44 1.06 0.00 0.00 176.91 178.06 1n62 h ASP 452 N 1.09 0.91 -0.54 1.22 3.32 -0.75 -0.72 116.42 120.94 1n62 h ASP 452 Ca 0.28 -0.37 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 1n62 h ASP 452 Cb 0.01 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1n62 h ASP 452 CO -0.05 1.13 0.02 0.74 -1.72 0.00 0.00 179.24 179.37 1n62 h THR 453 N 0.74 1.26 -0.01 0.35 2.02 -0.52 -2.90 112.91 113.86 1n62 h THR 453 Ca 0.08 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1n62 h THR 453 Cb 0.85 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1n62 h THR 453 CO 0.07 0.38 -0.06 1.33 0.37 0.00 0.00 175.52 177.62 1n62 n VAL 454 N -4.29 0.00 -2.98 3.16 0.24 -0.52 -4.94 118.33 109.00 1n62 n VAL 454 Ca 0.02 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.34 62.00 1n62 n VAL 454 Cb 0.31 0.37 0.06 0.00 -1.47 0.00 0.00 33.84 33.11 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 1.20 -0.26 0.10 7.63 0.00 -0.41 -4.76 105.19 108.69 1n62 n GLY 455 Ca 0.18 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.24 -0.14 -0.32 1.61 3.20 -1.50 -0.02 116.97 118.57 1n62 h TYR 456 Ca -0.43 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.38 1n62 h TYR 456 Cb 1.24 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 1n62 h TYR 456 CO 0.30 -0.09 -0.06 0.45 -1.64 0.00 0.00 178.16 177.12 1n62 h HIS 457 N -0.11 0.55 -0.83 -3.82 3.86 -1.91 -1.28 115.15 111.61 1n62 h HIS 457 Ca 0.01 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 1n62 h HIS 457 Cb 0.12 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 1n62 h HIS 457 CO -0.11 0.58 0.42 1.96 0.86 0.00 0.00 177.93 181.63 1n62 h GLN 458 N 0.49 1.19 -0.48 2.45 4.20 -1.73 -2.14 115.11 119.09 1n62 h GLN 458 Ca 0.10 -0.16 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1n62 h GLN 458 Cb 0.41 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1n62 h GLN 458 CO 0.02 0.90 0.26 -0.07 -0.67 0.00 0.00 178.83 179.27 1n62 h LEU 459 N 1.18 0.40 -1.31 1.46 3.38 -0.09 -0.32 115.31 120.01 1n62 h LEU 459 Ca 0.29 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 1n62 h LEU 459 Cb 0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1n62 h LEU 459 CO -0.04 0.28 0.12 0.03 0.09 0.00 0.00 178.44 178.92 1n62 h ARG 460 N 0.52 0.59 -0.37 1.13 2.47 -0.79 0.70 114.38 118.63 1n62 h ARG 460 Ca 0.21 -0.09 -0.16 0.00 -1.26 0.00 0.00 59.98 58.68 1n62 h ARG 460 Cb 0.08 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 1n62 h ARG 460 CO -0.12 0.52 -0.39 0.00 0.56 0.00 0.00 179.97 180.54 1n62 h ALA 461 N 1.56 0.55 -0.81 0.04 0.00 -0.82 -0.67 119.26 119.11 1n62 h ALA 461 Ca 0.14 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1n62 h ALA 461 Cb 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1n62 h ALA 461 CO -0.01 0.65 0.51 1.49 0.00 0.00 0.00 179.25 181.89 1n62 h GLU 462 N 0.73 1.09 -0.31 0.00 4.81 -0.66 -1.53 114.58 118.71 1n62 h GLU 462 Ca 0.06 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1n62 h GLU 462 Cb 0.98 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1n62 h GLU 462 CO 0.10 0.75 0.14 0.37 -0.73 0.00 0.00 179.01 179.64 1n62 h GLN 463 N 1.11 0.45 -0.65 1.92 4.15 -0.62 -0.04 115.11 121.42 1n62 h GLN 463 Ca 0.29 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.67 1n62 h GLN 463 Cb -0.07 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.50 1n62 h GLN 463 CO -0.06 0.43 0.41 -0.22 -1.93 0.00 0.00 178.83 177.46 1n62 h LYS 464 N 0.36 0.78 -0.79 1.69 3.64 -0.88 0.30 116.57 121.67 1n62 h LYS 464 Ca 0.11 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1n62 h LYS 464 Cb 0.14 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1n62 h LYS 464 CO -0.01 0.51 0.38 0.00 -2.27 0.00 0.00 179.45 178.06 1n62 h ALA 465 N 1.27 1.02 -0.48 5.00 0.00 -0.88 -1.43 119.26 123.76 1n62 h ALA 465 Ca 0.26 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1n62 h ALA 465 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1n62 h ALA 465 CO -0.10 0.59 -0.03 -0.22 0.00 0.00 0.00 179.25 179.49 1n62 h LYS 466 N 1.12 0.82 -0.55 0.00 3.64 -0.27 -0.41 116.57 120.91 1n62 h LYS 466 Ca 0.27 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1n62 h LYS 466 Cb 0.12 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1n62 h LYS 466 CO -0.03 0.84 0.21 1.96 -2.27 0.00 0.00 179.45 180.16 1n62 h GLN 467 N 0.75 0.83 -0.65 1.90 4.20 -0.54 0.28 115.11 121.88 1n62 h GLN 467 Ca 0.14 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1n62 h GLN 467 Cb 0.50 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1n62 h GLN 467 CO 0.03 0.73 0.19 0.93 -0.67 0.00 0.00 178.83 180.03 1n62 h GLU 468 N 0.75 1.00 -0.78 1.46 5.08 -0.94 -0.82 114.58 120.32 1n62 h GLU 468 Ca 0.18 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1n62 h GLU 468 Cb 0.21 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1n62 h GLU 468 CO -0.01 0.86 0.44 0.00 -1.00 0.00 0.00 179.01 179.30 1n62 h ALA 469 N 1.24 1.30 -0.32 3.43 0.00 -0.67 -1.59 119.26 122.66 1n62 h ALA 469 Ca 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1n62 h ALA 469 Cb 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1n62 h ALA 469 CO -0.01 0.58 0.09 0.35 0.00 0.00 0.00 179.25 180.26 1n62 h PHE 470 N 1.09 0.53 0.00 0.00 3.57 -0.18 0.31 116.94 122.25 1n62 h PHE 470 Ca 0.28 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1n62 h PHE 470 Cb 0.01 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 1n62 h PHE 470 CO 0.01 0.54 -0.02 0.87 -2.23 0.00 0.00 178.31 177.48 1n62 h LYS 471 N 0.36 0.00 -0.34 1.11 1.79 -0.75 -1.14 116.57 117.60 1n62 h LYS 471 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1n62 h LYS 471 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1n62 h LYS 471 CO -0.00 0.02 0.00 0.54 -1.08 0.00 0.00 179.45 178.93 1n62 n ARG 472 N -3.15 2.11 -2.30 3.15 1.74 -0.64 -4.91 116.66 112.66 1n62 n ARG 472 Ca -0.01 -1.70 -0.14 0.00 -0.77 0.00 0.00 57.85 55.24 1n62 n ARG 472 Cb 0.21 -1.43 -0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.30 -0.19 0.01 -0.13 0.00 -0.43 -4.93 105.19 100.82 1n62 n GLY 473 Ca 0.17 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.36 0.16 -3.65 1.61 1.02 0.02 -4.93 120.64 112.51 1n62 n GLU 474 Ca -0.15 -0.04 -0.15 0.00 -0.02 0.00 0.00 57.16 56.80 1n62 n GLU 474 Cb 0.62 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 30.45 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 -3.12 0.03 -1.33 2.62 -1.32 -1.24 -4.95 115.64 106.33 1n62 s THR 475 Ca 0.05 -0.26 0.15 0.00 -1.21 0.00 0.00 61.69 60.41 1n62 s THR 475 Cb 0.16 -0.80 0.39 0.00 -1.51 0.00 0.00 72.50 70.73 1n62 s THR 475 CO 0.85 -0.14 1.31 0.54 -2.21 0.00 0.00 174.62 174.97 1n62 n ARG 476 N 1.07 2.66 -4.24 7.08 5.12 -1.26 -4.48 116.66 122.61 1n62 n ARG 476 Ca -0.20 -2.17 -0.35 0.00 -1.93 0.00 0.00 57.85 53.19 1n62 n ARG 476 Cb 0.57 -1.36 -0.09 0.00 -1.16 0.00 0.00 32.46 30.42 1n62 n ARG 476 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1n62 s GLU 477 N -1.03 3.16 0.08 5.56 2.02 -1.26 -1.48 118.70 125.75 1n62 s GLU 477 Ca 0.30 -0.34 0.10 0.00 0.02 0.00 0.00 54.97 55.05 1n62 s GLU 477 Cb 0.16 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 1n62 s GLU 477 CO 0.21 0.69 -0.25 0.96 0.02 0.00 0.00 175.26 176.89 1n62 s ILE 478 N -0.82 2.31 -0.13 -1.63 -4.36 0.11 -4.87 121.20 111.81 1n62 s ILE 478 Ca 0.13 -1.51 -0.03 0.00 -0.26 0.00 0.00 60.65 58.97 1n62 s ILE 478 Cb -0.12 -1.97 -0.03 0.00 1.25 0.00 0.00 42.46 41.60 1n62 s ILE 478 CO 0.03 0.24 -0.03 -0.32 0.24 0.00 0.00 174.94 175.10 1n62 s MET 479 N -1.63 3.41 0.09 0.37 -2.45 -1.26 -0.06 119.30 117.77 1n62 s MET 479 Ca 0.13 -0.49 0.10 0.00 -1.25 0.00 0.00 55.69 54.18 1n62 s MET 479 Cb -0.10 -2.86 -0.03 0.00 1.25 0.00 0.00 34.83 33.09 1n62 s MET 479 CO 0.04 0.40 -0.26 0.20 1.05 0.00 0.00 175.02 176.46 1n62 s GLY 480 N -0.06 1.45 -0.25 2.11 0.00 0.11 -4.26 107.32 106.42 1n62 s GLY 480 Ca 0.02 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.41 1n62 s GLY 480 CO 0.02 -1.30 -0.11 -0.42 0.00 0.00 0.00 173.10 171.30 1n62 s ILE 481 N -0.97 2.28 -0.10 0.90 1.01 -1.26 -0.74 121.20 122.31 1n62 s ILE 481 Ca 0.12 -1.50 -0.13 0.00 0.00 0.00 0.00 60.65 59.14 1n62 s ILE 481 Cb -0.10 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 1n62 s ILE 481 CO 0.04 0.04 0.29 -0.83 0.00 0.00 0.00 174.94 174.49 1n62 s GLY 482 N 1.15 2.28 -0.04 6.18 0.00 0.11 -4.41 107.32 112.59 1n62 s GLY 482 Ca -0.07 -0.42 0.05 0.00 0.00 0.00 0.00 44.72 44.28 1n62 s GLY 482 CO -0.05 0.17 -0.20 -0.42 0.00 0.00 0.00 173.10 172.60 1n62 s ILE 483 N -0.31 1.65 -0.12 0.90 1.01 -1.26 -0.66 121.20 122.41 1n62 s ILE 483 Ca 0.18 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1n62 s ILE 483 Cb -0.14 -1.40 0.05 0.00 0.01 0.00 0.00 42.46 40.98 1n62 s ILE 483 CO 0.07 0.47 0.09 -0.55 0.00 0.00 0.00 174.94 175.02 1n62 s SER 484 N -0.17 1.79 -0.25 3.58 0.15 -0.03 -4.52 113.70 114.25 1n62 s SER 484 Ca -0.00 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.32 1n62 s SER 484 Cb -0.11 -0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.08 1n62 s SER 484 CO 0.02 -0.31 -0.05 0.12 1.20 0.00 0.00 173.24 174.22 1n62 s PHE 485 N 2.17 3.07 0.08 3.44 2.19 -1.26 -0.37 117.98 127.30 1n62 s PHE 485 Ca 0.03 -1.49 0.05 0.00 0.33 0.00 0.00 56.93 55.86 1n62 s PHE 485 Cb -0.14 -2.08 -0.03 0.00 -1.31 0.00 0.00 43.02 39.46 1n62 s PHE 485 CO -0.07 -0.71 -0.14 -0.59 1.83 0.00 0.00 175.22 175.54 1n62 s PHE 486 N 1.34 1.27 -0.22 10.12 -0.71 -0.50 -4.68 117.98 124.61 1n62 s PHE 486 Ca 0.01 -0.49 -0.02 0.00 -1.04 0.00 0.00 56.93 55.38 1n62 s PHE 486 Cb -0.17 -0.70 0.00 0.00 -1.21 0.00 0.00 43.02 40.95 1n62 s PHE 486 CO -0.04 0.08 -0.08 0.99 -1.34 0.00 0.00 175.22 174.83 1n62 s THR 487 N -1.50 3.00 0.56 -4.49 2.01 -1.26 -1.48 115.64 112.47 1n62 s THR 487 Ca 0.01 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.30 1n62 s THR 487 Cb -0.09 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 70.07 1n62 s THR 487 CO 0.02 0.42 0.84 -1.61 -0.69 0.00 0.00 174.62 173.60 1n62 s GLU 488 N 1.41 2.85 -0.18 4.92 0.41 0.27 -4.92 118.70 123.46 1n62 s GLU 488 Ca 0.05 -0.22 -0.05 0.00 -0.41 0.00 0.00 54.97 54.34 1n62 s GLU 488 Cb -0.14 -2.35 0.07 0.00 -1.78 0.00 0.00 34.13 29.93 1n62 s GLU 488 CO -0.06 -0.65 0.13 -1.50 -0.49 0.00 0.00 175.26 172.69 1n62 s ILE 489 N -2.89 -0.16 0.04 -1.63 2.07 -1.26 -3.91 121.20 113.46 1n62 s ILE 489 Ca 0.53 -0.15 -0.00 0.00 -1.41 0.00 0.00 60.65 59.62 1n62 s ILE 489 Cb -0.10 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 1n62 s ILE 489 CO 0.43 -0.26 -0.04 0.68 -1.91 0.00 0.00 174.94 173.84 1n62 s VAL 490 N 2.19 0.21 0.00 4.00 -7.23 0.47 -4.93 120.40 115.12 1n62 s VAL 490 Ca 0.03 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1n62 s VAL 490 Cb -0.16 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 36.00 1n62 s VAL 490 CO -0.10 -0.67 0.00 0.61 -0.31 0.00 0.00 175.10 174.62 1n62 n GLY 491 N 1.01 1.62 3.69 2.32 0.00 -1.16 -0.27 105.19 112.40 1n62 n GLY 491 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.35 2.09 0.00 4.61 0.00 -1.26 -4.66 120.51 120.93 1n62 n ALA 492 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 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 4.11 -0.73 3.71 0.00 0.00 -0.15 -4.74 105.19 107.40 1n62 n GLY 493 Ca 0.18 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.10 2.24 0.26 1.61 -0.02 -1.23 -4.03 135.00 133.73 1n62 n PRO 494 Ca 0.00 0.78 0.10 0.00 -2.02 0.00 0.00 63.50 62.36 1n62 n PRO 494 Cb 0.00 -2.40 0.68 0.00 -0.02 0.00 0.00 33.50 31.76 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 2.68 0.00 -0.99 2.55 4.64 -1.78 -0.27 113.55 120.37 1n62 h SER 495 Ca -0.47 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.02 1n62 h SER 495 Cb 1.27 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.26 1n62 h SER 495 CO 0.63 0.07 0.60 0.50 -0.87 0.00 0.00 176.83 177.76 1n62 h LYS 496 N 0.00 0.78 0.00 4.77 3.64 -1.94 -3.32 116.57 120.50 1n62 h LYS 496 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1n62 h LYS 496 Cb 0.14 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1n62 h LYS 496 CO 0.01 0.52 0.00 0.27 -2.27 0.00 0.00 179.45 177.98 1n62 n ASN 497 N -4.74 0.05 -4.15 4.20 6.94 -0.83 -5.01 115.26 111.71 1n62 n ASN 497 Ca 0.22 -0.31 -0.33 0.00 -0.02 0.00 0.00 54.58 54.13 1n62 n ASN 497 Cb 0.50 0.36 -0.15 0.00 -2.36 0.00 0.00 39.78 38.13 1n62 n ASN 497 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n62 s ASP 499 N 1.28 -0.20 -0.36 0.00 -4.77 -1.26 -1.38 116.67 109.99 1n62 s ASP 499 Ca 0.01 0.12 -0.09 0.00 -3.30 0.00 0.00 52.55 49.29 1n62 s ASP 499 Cb -0.16 0.34 0.03 0.00 -1.09 0.00 0.00 42.92 42.04 1n62 s ASP 499 CO -0.08 -0.42 0.16 -0.63 0.70 0.00 0.00 175.17 174.90 1n62 s ILE 500 N -1.23 4.24 -1.45 2.11 -1.09 0.47 -0.76 121.20 123.49 1n62 s ILE 500 Ca -0.13 -0.96 -0.10 0.00 -2.23 0.00 0.00 60.65 57.24 1n62 s ILE 500 Cb -0.05 -3.37 0.01 0.00 -1.58 0.00 0.00 42.46 37.47 1n62 s ILE 500 CO 0.04 -0.20 0.20 0.18 -1.23 0.00 0.00 174.94 173.94 1n62 n LEU 501 N 4.92 -0.76 0.00 2.97 4.77 -1.26 -0.89 117.00 126.75 1n62 n LEU 501 Ca -0.12 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 1n62 n LEU 501 Cb 0.46 -1.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 1n62 n LEU 501 CO 0.34 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1n62 n GLY 502 N -2.44 1.77 3.62 -0.72 0.00 -1.26 -5.02 105.19 101.14 1n62 n GLY 502 Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.70 5.09 0.57 1.61 1.01 -0.06 -5.01 120.40 120.90 1n62 s VAL 503 Ca 0.00 0.86 -0.21 0.00 0.00 0.00 0.00 61.98 62.63 1n62 s VAL 503 Cb 0.00 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1n62 s VAL 503 CO 0.00 0.11 1.35 -0.44 0.00 0.00 0.00 175.10 176.12 1n62 s SER 504 N 1.48 5.08 -1.29 3.32 0.01 -1.26 -0.40 113.70 120.63 1n62 s SER 504 Ca 0.21 2.75 -0.06 0.00 1.31 0.00 0.00 55.95 60.16 1n62 s SER 504 Cb -0.16 -2.63 0.09 0.00 0.21 0.00 0.00 66.02 63.53 1n62 s SER 504 CO 0.09 -1.70 2.49 0.23 0.41 0.00 0.00 173.24 174.76 1n62 n MET 505 N -1.25 4.34 -2.19 12.44 0.00 -0.48 -4.81 117.12 125.18 1n62 n MET 505 Ca 0.12 -3.22 -0.27 0.00 0.00 0.00 0.00 57.70 54.33 1n62 n MET 505 Cb 0.46 -2.62 0.14 0.00 0.00 0.00 0.00 33.22 31.20 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 -0.78 1.88 0.15 2.03 -0.12 -1.26 -0.98 117.98 118.90 1n62 s PHE 506 Ca 0.56 0.16 0.02 0.00 -0.05 0.00 0.00 56.93 57.63 1n62 s PHE 506 Cb 0.20 -3.57 -0.01 0.00 -0.63 0.00 0.00 43.02 39.01 1n62 s PHE 506 CO -0.10 -2.10 0.16 -3.47 -0.05 0.00 0.00 175.22 169.66 1n62 n ASP 507 N -3.30 -0.43 -3.71 1.98 -0.08 -0.85 -3.78 116.55 106.38 1n62 n ASP 507 Ca 0.14 -1.89 -0.10 0.00 -1.51 0.00 0.00 54.79 51.42 1n62 n ASP 507 Cb 0.60 0.88 -0.05 0.00 2.34 0.00 0.00 41.12 44.89 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 -1.98 -0.13 -0.05 1.67 1.04 -1.26 -0.14 113.70 112.85 1n62 s SER 508 Ca 0.15 -0.43 -0.12 0.00 0.48 0.00 0.00 55.95 56.03 1n62 s SER 508 Cb 0.00 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.59 1n62 s SER 508 CO 0.11 -0.83 0.28 0.00 0.98 0.00 0.00 173.24 173.78 1n62 s ALA 509 N -3.83 -0.70 -0.05 5.32 0.00 -0.24 -1.77 121.76 120.49 1n62 s ALA 509 Ca 0.04 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.50 1n62 s ALA 509 Cb 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1n62 s ALA 509 CO -0.11 -0.20 -0.08 -2.00 0.00 0.00 0.00 175.76 173.37 1n62 s GLU 510 N -0.70 1.17 -0.08 0.00 2.12 0.46 -0.79 118.70 120.89 1n62 s GLU 510 Ca -0.08 -0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.03 1n62 s GLU 510 Cb -0.04 -1.05 0.01 0.00 0.26 0.00 0.00 34.13 33.31 1n62 s GLU 510 CO 0.02 -0.02 -0.12 0.42 -0.54 0.00 0.00 175.26 175.01 1n62 s ILE 511 N 0.76 1.19 -0.09 -3.70 1.01 0.61 -0.78 121.20 120.20 1n62 s ILE 511 Ca -0.12 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1n62 s ILE 511 Cb -0.15 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.24 1n62 s ILE 511 CO 0.02 0.37 -0.11 -0.60 0.00 0.00 0.00 174.94 174.62 1n62 s ARG 512 N 0.80 1.71 -0.18 2.79 3.52 0.11 -0.75 118.95 126.95 1n62 s ARG 512 Ca -0.12 -0.38 -0.10 0.00 -0.13 0.00 0.00 55.73 55.01 1n62 s ARG 512 Cb -0.15 -1.53 -0.05 0.00 -1.56 0.00 0.00 34.95 31.66 1n62 s ARG 512 CO 0.02 -0.09 0.15 0.42 -0.81 0.00 0.00 175.30 175.00 1n62 s ILE 513 N 1.06 5.41 0.64 4.11 1.01 0.01 -1.46 121.20 131.99 1n62 s ILE 513 Ca -0.07 0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.74 1n62 s ILE 513 Cb -0.15 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.86 1n62 s ILE 513 CO -0.01 0.47 0.99 -1.00 0.00 0.00 0.00 174.94 175.39 1n62 s HIS 514 N 0.06 3.27 0.40 3.97 3.76 0.73 -4.42 115.29 123.06 1n62 s HIS 514 Ca 0.11 0.81 0.11 0.00 -0.15 0.00 0.00 55.06 55.93 1n62 s HIS 514 Cb -0.12 -2.89 0.90 0.00 1.11 0.00 0.00 32.58 31.58 1n62 s HIS 514 CO 0.00 -1.00 1.95 -1.35 -0.85 0.00 0.00 174.74 173.49 1n62 h PRO 515 N -0.40 0.56 -0.28 8.40 0.11 -1.87 -0.07 132.00 138.45 1n62 h PRO 515 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n62 h PRO 515 Cb 1.26 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1n62 h PRO 515 CO 0.62 0.37 0.00 0.25 -0.21 0.00 0.00 178.00 179.03 1n62 n THR 516 N -4.49 0.37 -0.08 -1.15 -2.24 -1.26 -3.11 114.28 102.32 1n62 n THR 516 Ca 0.12 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1n62 n THR 516 Cb 0.35 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.25 0.64 3.95 3.38 0.00 -0.04 -5.02 105.19 109.35 1n62 n GLY 517 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.76 4.51 -0.00 1.61 1.04 -1.26 -4.78 113.70 112.05 1n62 s SER 518 Ca 0.00 0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.66 1n62 s SER 518 Cb 0.00 -0.76 -0.00 0.00 0.10 0.00 0.00 66.02 65.36 1n62 s SER 518 CO 0.00 -1.78 0.01 -0.69 0.98 0.00 0.00 173.24 171.76 1n62 s VAL 519 N -3.29 0.01 -0.13 5.02 1.01 0.03 -0.19 120.40 122.87 1n62 s VAL 519 Ca 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1n62 s VAL 519 Cb -0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1n62 s VAL 519 CO 0.45 -0.05 -0.13 -0.51 0.00 0.00 0.00 175.10 174.86 1n62 s ILE 520 N -0.14 3.04 -0.00 2.22 1.10 -0.53 -0.48 121.20 126.41 1n62 s ILE 520 Ca -0.02 -0.67 0.02 0.00 -0.51 0.00 0.00 60.65 59.47 1n62 s ILE 520 Cb -0.01 -2.27 -0.00 0.00 0.15 0.00 0.00 42.46 40.32 1n62 s ILE 520 CO -0.00 0.53 -0.06 0.00 -2.11 0.00 0.00 174.94 173.30 1n62 s ALA 521 N 0.29 0.47 0.10 1.50 0.00 0.24 -0.71 121.76 123.65 1n62 s ALA 521 Ca -0.10 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1n62 s ALA 521 Cb -0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1n62 s ALA 521 CO 0.06 0.11 -0.11 1.03 0.00 0.00 0.00 175.76 176.84 1n62 s ARG 522 N -0.17 0.87 0.10 0.00 0.52 0.04 -1.00 118.95 119.31 1n62 s ARG 522 Ca 0.02 -1.14 0.02 0.00 -0.52 0.00 0.00 55.73 54.11 1n62 s ARG 522 Cb -0.02 -0.64 -0.04 0.00 0.52 0.00 0.00 34.95 34.77 1n62 s ARG 522 CO -0.00 0.11 -0.07 -1.64 0.02 0.00 0.00 175.30 173.72 1n62 s MET 523 N -2.61 0.85 0.00 3.54 -1.94 -0.99 -0.40 119.30 117.74 1n62 s MET 523 Ca 0.05 -1.32 0.11 0.00 -1.71 0.00 0.00 55.69 52.82 1n62 s MET 523 Cb -0.04 -0.26 0.36 0.00 2.01 0.00 0.00 34.83 36.90 1n62 s MET 523 CO 0.01 -0.00 1.28 0.41 -0.01 0.00 0.00 175.02 176.71 1n62 n GLY 524 N 0.02 0.20 2.78 -0.03 0.00 -0.73 -4.47 105.19 102.96 1n62 n GLY 524 Ca -0.12 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 0.24 0.00 -3.28 2.61 -2.24 -1.26 -2.37 114.28 107.97 1n62 n THR 525 Ca 0.10 -1.19 -0.05 0.00 -2.27 0.00 0.00 64.05 60.64 1n62 n THR 525 Cb 0.23 -0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 67.47 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 -4.22 0.42 0.53 -0.78 2.47 -1.26 -4.09 119.74 112.82 1n62 s LYS 526 Ca 0.46 0.59 -0.22 0.00 -1.56 0.00 0.00 55.97 55.24 1n62 s LYS 526 Cb -0.03 -0.16 -0.06 0.00 -1.46 0.00 0.00 37.83 36.13 1n62 s LYS 526 CO 0.30 -0.72 1.33 0.45 0.16 0.00 0.00 175.35 176.88 1n62 n SER 527 N 5.38 2.61 -2.27 1.43 2.88 -1.26 -4.29 113.62 118.10 1n62 n SER 527 Ca -0.02 0.99 -0.13 0.00 -1.33 0.00 0.00 58.87 58.39 1n62 n SER 527 Cb 0.50 -1.56 0.04 0.00 -0.75 0.00 0.00 64.21 62.44 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 -0.82 2.70 0.00 -1.46 3.00 -1.26 -4.55 117.38 115.00 1n62 n GLN 528 Ca 0.10 -3.82 0.00 0.00 -0.01 0.00 0.00 57.00 53.27 1n62 n GLN 528 Cb 0.44 -1.93 0.00 0.00 0.00 0.00 0.00 30.24 28.75 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 -0.65 0.94 0.05 1.08 0.00 -1.26 -2.97 105.19 102.38 1n62 n GLY 529 Ca 0.28 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.44 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 1.07 -0.61 1.61 3.00 -1.26 -4.88 117.38 116.30 1n62 n GLN 530 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1n62 n GLN 530 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 28.80 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 0.96 0.63 0.37 1.08 0.00 -1.26 -4.95 105.19 102.02 1n62 n GLY 531 Ca 0.21 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 1.21 0.00 1.61 3.86 -1.97 0.97 115.15 120.82 1n62 h HIS 532 Ca 0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1n62 h HIS 532 Cb 0.00 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.07 1n62 h HIS 532 CO 0.00 0.61 -0.01 0.93 0.86 0.00 0.00 177.93 180.32 1n62 h GLU 533 N 1.17 0.00 0.00 2.45 5.08 -1.92 -0.33 114.58 121.03 1n62 h GLU 533 Ca 0.44 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.61 1n62 h GLU 533 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1n62 h GLU 533 CO -0.18 0.01 -1.10 1.15 -1.00 0.00 0.00 179.01 177.89 1n62 h THR 534 N 0.00 0.84 0.06 1.13 2.02 -1.30 -3.41 112.91 112.25 1n62 h THR 534 Ca -0.00 -2.04 -0.24 0.00 0.77 0.00 0.00 66.41 64.90 1n62 h THR 534 Cb 0.04 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1n62 h THR 534 CO 0.00 0.29 -1.10 0.71 0.37 0.00 0.00 175.52 175.79 1n62 h THR 535 N -1.00 1.61 -0.13 3.16 1.35 -0.69 -3.04 112.91 114.17 1n62 h THR 535 Ca -0.29 -3.22 -0.05 0.00 -0.55 0.00 0.00 66.41 62.30 1n62 h THR 535 Cb 1.18 2.87 -0.01 0.00 -1.73 0.00 0.00 68.15 70.46 1n62 h THR 535 CO -0.17 0.93 -0.15 1.88 -0.25 0.00 0.00 175.52 177.75 1n62 h TYR 536 N 0.04 0.21 -0.07 4.73 0.05 -1.30 -0.87 116.97 119.76 1n62 h TYR 536 Ca -0.07 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.60 1n62 h TYR 536 Cb 1.84 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 39.51 1n62 h TYR 536 CO 0.03 0.35 -0.38 0.00 -1.05 0.00 0.00 178.16 177.11 1n62 h ALA 537 N 1.66 1.23 -0.32 3.88 0.00 -1.73 -2.40 119.26 121.57 1n62 h ALA 537 Ca 0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1n62 h ALA 537 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1n62 h ALA 537 CO 0.02 0.54 -0.20 1.96 0.00 0.00 0.00 179.25 181.57 1n62 h GLN 538 N 0.12 0.60 -0.01 0.00 4.20 -1.06 0.14 115.11 119.10 1n62 h GLN 538 Ca 0.01 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1n62 h GLN 538 Cb 0.74 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 1n62 h GLN 538 CO 0.06 0.76 0.01 0.82 -0.67 0.00 0.00 178.83 179.80 1n62 h ILE 539 N 0.53 1.08 -0.58 2.54 2.04 -1.11 -2.21 117.51 119.81 1n62 h ILE 539 Ca 0.08 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1n62 h ILE 539 Cb 0.64 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1n62 h ILE 539 CO 0.05 0.06 0.28 0.40 0.00 0.00 0.00 178.15 178.94 1n62 h ILE 540 N -0.08 1.21 -0.36 -0.67 2.04 -1.20 -1.91 117.51 116.54 1n62 h ILE 540 Ca 0.00 -0.59 0.07 0.00 1.00 0.00 0.00 64.86 65.35 1n62 h ILE 540 Cb 0.10 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 1n62 h ILE 540 CO -0.00 0.24 -0.06 0.00 0.00 0.00 0.00 178.15 178.33 1n62 h ALA 541 N 1.11 0.27 -0.22 1.87 0.00 -0.56 0.26 119.26 122.00 1n62 h ALA 541 Ca 0.20 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1n62 h ALA 541 Cb 0.12 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1n62 h ALA 541 CO -0.03 -0.44 0.09 1.15 0.00 0.00 0.00 179.25 180.03 1n62 h THR 542 N 0.03 1.16 -0.74 0.00 2.02 -1.22 0.28 112.91 114.44 1n62 h THR 542 Ca 0.17 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1n62 h THR 542 Cb 0.26 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1n62 h THR 542 CO -0.34 0.16 0.42 -0.33 0.37 0.00 0.00 175.52 175.80 1n62 h GLU 543 N 0.20 1.02 -0.00 6.66 4.39 -0.63 -3.28 114.58 122.94 1n62 h GLU 543 Ca 0.07 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1n62 h GLU 543 Cb 0.16 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1n62 h GLU 543 CO -0.01 0.74 -0.34 1.28 -1.16 0.00 0.00 179.01 179.52 1n62 n LEU 544 N -4.37 0.77 -0.81 1.33 4.77 0.02 -4.97 117.00 113.74 1n62 n LEU 544 Ca 0.08 -0.61 -0.09 0.00 -0.03 0.00 0.00 56.01 55.35 1n62 n LEU 544 Cb 0.09 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1n62 n LEU 544 CO 0.38 0.17 -0.10 0.61 -1.33 0.00 0.00 177.39 177.12 1n62 n GLY 545 N 1.08 0.79 3.61 -0.72 0.00 0.98 -4.71 105.19 106.22 1n62 n GLY 545 Ca 0.03 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.38 4.97 0.40 -0.61 1.01 -1.13 -4.77 121.20 118.68 1n62 s ILE 546 Ca 0.00 0.04 -0.24 0.00 0.00 0.00 0.00 60.65 60.45 1n62 s ILE 546 Cb 0.00 -3.29 -0.12 0.00 0.01 0.00 0.00 42.46 39.07 1n62 s ILE 546 CO 0.00 0.39 0.88 -2.65 0.00 0.00 0.00 174.94 173.56 1n62 n PRO 547 N 4.12 1.11 -0.02 2.79 -0.02 -1.26 -4.08 135.00 137.64 1n62 n PRO 547 Ca -0.16 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 61.73 1n62 n PRO 547 Cb 0.52 -1.86 0.32 0.00 -0.02 0.00 0.00 33.50 32.46 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 1.37 1.45 0.00 3.55 0.00 -1.12 0.18 119.26 124.69 1n62 h ALA 548 Ca -0.42 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1n62 h ALA 548 Cb 1.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1n62 h ALA 548 CO 0.56 0.41 0.00 -0.25 0.00 0.00 0.00 179.25 179.96 1n62 n ASP 549 N -4.33 0.22 -0.68 0.00 8.00 -1.26 -1.69 116.55 116.80 1n62 n ASP 549 Ca 0.02 0.55 0.05 0.00 0.71 0.00 0.00 54.79 56.12 1n62 n ASP 549 Cb 0.19 -0.60 0.14 0.00 -0.02 0.00 0.00 41.12 40.83 1n62 n ASP 549 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1n62 n ASP 550 N -1.73 1.95 -4.06 -2.24 8.00 0.62 -4.82 116.55 114.25 1n62 n ASP 550 Ca 0.03 -2.08 -0.26 0.00 0.71 0.00 0.00 54.79 53.19 1n62 n ASP 550 Cb 0.20 -0.29 -0.17 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.62 1.32 -0.19 0.53 1.01 -0.68 -0.79 121.20 120.78 1n62 s ILE 551 Ca 0.21 -0.59 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 1n62 s ILE 551 Cb 0.12 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 1n62 s ILE 551 CO 0.12 0.40 0.04 -0.32 0.00 0.00 0.00 174.94 175.18 1n62 s MET 552 N 0.61 3.82 -0.14 2.79 -2.45 0.37 -4.96 119.30 119.33 1n62 s MET 552 Ca -0.15 -0.42 -0.04 0.00 -1.25 0.00 0.00 55.69 53.83 1n62 s MET 552 Cb -0.16 -3.16 -0.03 0.00 1.25 0.00 0.00 34.83 32.72 1n62 s MET 552 CO 0.05 0.15 -0.01 0.42 1.05 0.00 0.00 175.02 176.68 1n62 s ILE 553 N 0.67 4.20 0.06 10.11 -1.09 -1.26 -0.60 121.20 133.29 1n62 s ILE 553 Ca 0.02 -0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.22 1n62 s ILE 553 Cb -0.14 -2.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 1n62 s ILE 553 CO 0.02 0.52 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.51 1n62 s GLU 554 N 0.03 0.76 0.05 2.79 2.02 -0.17 -4.85 118.70 119.33 1n62 s GLU 554 Ca 0.02 -0.85 -0.05 0.00 0.02 0.00 0.00 54.97 54.11 1n62 s GLU 554 Cb -0.13 -0.72 -0.02 0.00 0.10 0.00 0.00 34.13 33.37 1n62 s GLU 554 CO 0.02 0.16 0.08 -1.21 0.02 0.00 0.00 175.26 174.33 1n62 s GLU 555 N -1.55 0.63 0.00 1.61 2.02 -1.26 -2.35 118.70 117.80 1n62 s GLU 555 Ca -0.03 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1n62 s GLU 555 Cb -0.09 0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.38 1n62 s GLU 555 CO 0.02 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1n62 n GLY 556 N 0.53 1.10 3.45 -1.39 0.00 -1.26 -4.88 105.19 102.73 1n62 n GLY 556 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.85 5.90 0.33 1.61 3.84 -1.26 -0.62 114.94 122.90 1n62 s ASN 557 Ca 0.00 -0.76 0.26 0.00 0.21 0.00 0.00 52.86 52.57 1n62 s ASN 557 Cb 0.00 -2.09 1.06 0.00 -0.55 0.00 0.00 41.25 39.67 1n62 s ASN 557 CO 0.00 -0.34 1.78 0.71 -2.79 0.00 0.00 177.10 176.46 1n62 h THR 558 N 5.67 0.00 0.00 -5.21 1.35 -1.42 0.60 112.91 113.90 1n62 h THR 558 Ca -0.28 -0.33 -0.11 0.00 -0.55 0.00 0.00 66.41 65.14 1n62 h THR 558 Cb 1.13 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 1n62 h THR 558 CO 0.67 0.00 -0.53 0.44 -0.25 0.00 0.00 175.52 175.86 1n62 h ASP 559 N 0.00 0.00 0.00 5.36 3.32 -1.88 -3.40 116.42 119.82 1n62 h ASP 559 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1n62 h ASP 559 Cb 0.43 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1n62 h ASP 559 CO 0.00 0.53 -1.60 0.35 -1.72 0.00 0.00 179.24 176.80 1n62 n THR 560 N -3.83 0.60 -2.46 0.35 -2.24 -0.35 -4.99 114.28 101.37 1n62 n THR 560 Ca -0.01 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.17 1n62 n THR 560 Cb 0.55 -0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.21 3.17 0.77 6.98 0.00 0.06 -4.99 121.76 125.53 1n62 s ALA 561 Ca -0.14 0.82 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 1n62 s ALA 561 Cb 0.04 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.90 1n62 s ALA 561 CO 0.23 -0.29 1.23 -1.25 0.00 0.00 0.00 175.76 175.69 1n62 s PRO 562 N -2.20 1.87 0.26 0.00 0.04 -1.26 -4.80 135.00 128.91 1n62 s PRO 562 Ca 0.55 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 1n62 s PRO 562 Cb -0.27 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 1n62 s PRO 562 CO 0.34 -2.06 1.56 -0.47 0.04 0.00 0.00 177.00 176.41 1n62 s TYR 563 N -1.94 2.86 0.34 0.56 6.14 -1.26 -3.80 117.35 120.25 1n62 s TYR 563 Ca 0.76 0.79 -0.03 0.00 0.64 0.00 0.00 57.07 59.23 1n62 s TYR 563 Cb -0.31 -4.00 0.00 0.00 0.42 0.00 0.00 41.96 38.07 1n62 s TYR 563 CO 0.48 -3.41 0.47 0.20 0.64 0.00 0.00 175.55 173.93 1n62 s GLY 564 N 0.58 1.46 0.00 8.97 0.00 -1.25 -4.34 107.32 112.74 1n62 s GLY 564 Ca 0.64 -1.50 0.23 0.00 0.00 0.00 0.00 44.72 44.09 1n62 s GLY 564 CO 0.44 -0.99 1.16 1.04 0.00 0.00 0.00 173.10 174.75 1n62 n LEU 565 N -0.56 2.45 0.00 0.66 7.99 -1.21 -4.35 117.00 121.99 1n62 n LEU 565 Ca 0.01 -0.86 0.00 0.00 -0.01 0.00 0.00 56.01 55.15 1n62 n LEU 565 Cb 0.62 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 1n62 n LEU 565 CO 0.30 0.43 0.00 0.61 -1.51 0.00 0.00 177.39 177.22 1n62 n GLY 566 N 1.39 -4.26 3.42 -0.72 0.00 -1.00 -4.70 105.19 99.32 1n62 n GLY 566 Ca 0.11 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.99 4.46 -0.01 2.61 2.01 -0.29 -4.60 115.64 118.82 1n62 s THR 567 Ca 0.00 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1n62 s THR 567 Cb 0.00 -3.27 0.11 0.00 0.01 0.00 0.00 72.50 69.35 1n62 s THR 567 CO 0.00 0.08 1.27 -0.72 -0.69 0.00 0.00 174.62 174.56 1n62 s TYR 568 N 1.59 -0.03 -1.42 4.92 -0.85 -1.26 -4.78 117.35 115.51 1n62 s TYR 568 Ca 0.04 -0.09 -0.02 0.00 -0.52 0.00 0.00 57.07 56.49 1n62 s TYR 568 Cb -0.17 0.55 0.01 0.00 0.38 0.00 0.00 41.96 42.73 1n62 s TYR 568 CO 0.05 -0.30 0.17 0.41 -1.52 0.00 0.00 175.55 174.36 1n62 n GLY 569 N -0.55 -0.50 3.89 5.49 0.00 -1.26 -1.16 105.19 111.09 1n62 n GLY 569 Ca -0.07 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.07 -3.20 -0.08 1.61 7.64 -1.26 -3.01 113.62 113.25 1n62 n SER 570 Ca -0.16 -0.76 0.11 0.00 1.01 0.00 0.00 58.87 59.08 1n62 n SER 570 Cb 0.63 -2.65 0.11 0.00 -1.01 0.00 0.00 64.21 61.29 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 -4.05 0.21 -0.06 1.43 1.85 -0.31 -4.17 116.66 111.57 1n62 n ARG 571 Ca 0.05 -0.15 -0.11 0.00 -1.00 0.00 0.00 57.85 56.64 1n62 n ARG 571 Cb 0.50 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.37 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 0.37 0.31 -0.25 2.89 0.02 -1.86 0.18 113.55 115.21 1n62 h SER 572 Ca 0.00 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 1n62 h SER 572 Cb 0.52 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1n62 h SER 572 CO 0.00 0.47 -0.13 0.74 -1.14 0.00 0.00 176.83 176.77 1n62 h THR 573 N 0.14 1.30 -0.88 -2.27 2.02 -1.92 0.20 112.91 111.49 1n62 h THR 573 Ca 0.06 -1.22 0.08 0.00 0.77 0.00 0.00 66.41 66.11 1n62 h THR 573 Cb 0.28 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 1n62 h THR 573 CO 0.00 0.38 0.57 -0.65 0.37 0.00 0.00 175.52 176.20 1n62 h PRO 574 N 0.26 0.90 0.00 6.66 0.11 -1.72 -2.74 132.00 135.46 1n62 h PRO 574 Ca 0.06 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1n62 h PRO 574 Cb 0.64 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1n62 h PRO 574 CO 0.04 0.59 -0.03 0.25 -0.21 0.00 0.00 178.00 178.65 1n62 n THR 575 N -4.51 0.05 0.17 -1.15 -2.24 0.03 -4.02 114.28 102.61 1n62 n THR 575 Ca 0.14 0.41 0.02 0.00 -2.27 0.00 0.00 64.05 62.35 1n62 n THR 575 Cb 0.27 -1.44 0.31 0.00 -2.10 0.00 0.00 70.33 67.37 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 -1.63 1.21 -0.66 6.98 0.00 -1.41 0.40 119.26 124.16 1n62 h ALA 576 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1n62 h ALA 576 Cb 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1n62 h ALA 576 CO 0.00 0.55 0.27 0.78 0.00 0.00 0.00 179.25 180.85 1n62 h GLY 577 N 1.43 1.04 0.99 0.00 0.00 -0.39 0.19 103.07 106.34 1n62 h GLY 577 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1n62 h GLY 577 CO 0.06 0.53 -0.07 0.00 0.00 0.00 0.00 176.54 177.05 1n62 h ALA 578 N 1.12 -0.20 -0.80 3.60 0.00 -1.15 -2.28 119.26 119.55 1n62 h ALA 578 Ca 0.22 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1n62 h ALA 578 Cb 0.19 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1n62 h ALA 578 CO -0.02 -0.61 0.52 0.00 0.00 0.00 0.00 179.25 179.14 1n62 h ALA 579 N 0.63 1.75 -0.02 0.00 0.00 -0.52 0.15 119.26 121.25 1n62 h ALA 579 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n62 h ALA 579 Cb 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1n62 h ALA 579 CO 0.03 0.09 0.01 1.15 0.00 0.00 0.00 179.25 180.54 1n62 h THR 580 N 0.74 1.07 -0.70 0.00 2.02 -0.43 0.24 112.91 115.85 1n62 h THR 580 Ca 0.37 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.27 1n62 h THR 580 Cb 0.43 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1n62 h THR 580 CO -0.14 0.06 0.20 0.00 0.37 0.00 0.00 175.52 176.01 1n62 h ALA 581 N 0.92 1.03 -0.25 6.16 0.00 -0.79 0.16 119.26 126.49 1n62 h ALA 581 Ca 0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1n62 h ALA 581 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1n62 h ALA 581 CO -0.00 0.65 -0.08 0.28 0.00 0.00 0.00 179.25 180.09 1n62 h VAL 582 N 1.05 1.29 -0.73 0.00 2.07 -0.64 0.80 116.25 120.08 1n62 h VAL 582 Ca 0.23 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1n62 h VAL 582 Cb 0.32 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1n62 h VAL 582 CO -0.00 0.35 0.36 0.00 0.02 0.00 0.00 177.57 178.30 1n62 h ALA 583 N 0.75 0.94 -0.95 1.67 0.00 -0.44 -0.59 119.26 120.65 1n62 h ALA 583 Ca 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1n62 h ALA 583 Cb 0.56 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1n62 h ALA 583 CO 0.03 0.50 0.63 0.00 0.00 0.00 0.00 179.25 180.40 1n62 h ALA 584 N 1.18 1.33 -0.00 0.00 0.00 -0.64 -1.61 119.26 119.52 1n62 h ALA 584 Ca 0.25 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1n62 h ALA 584 Cb 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1n62 h ALA 584 CO -0.03 0.63 -0.42 0.00 0.00 0.00 0.00 179.25 179.42 1n62 h ARG 585 N 1.28 0.00 -0.77 0.00 3.08 -0.24 0.93 114.38 118.66 1n62 h ARG 585 Ca 0.35 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.35 1n62 h ARG 585 Cb -0.15 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 1n62 h ARG 585 CO -0.08 0.43 0.30 0.87 -1.07 0.00 0.00 179.97 180.42 1n62 h LYS 586 N 0.00 1.16 -0.53 0.04 1.57 -0.22 -0.53 116.57 118.06 1n62 h LYS 586 Ca -0.00 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1n62 h LYS 586 Cb 0.75 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1n62 h LYS 586 CO 0.06 0.95 0.18 0.82 -0.57 0.00 0.00 179.45 180.88 1n62 h ILE 587 N 1.12 1.23 -0.88 1.86 2.04 -0.65 -1.55 117.51 120.67 1n62 h ILE 587 Ca 0.26 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1n62 h ILE 587 Cb 0.23 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1n62 h ILE 587 CO -0.02 0.28 0.47 0.50 0.00 0.00 0.00 178.15 179.39 1n62 h LYS 588 N 0.73 1.23 -0.57 2.37 3.64 -0.51 0.17 116.57 123.63 1n62 h LYS 588 Ca 0.17 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1n62 h LYS 588 Cb 0.25 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1n62 h LYS 588 CO -0.01 0.91 0.14 0.00 -2.27 0.00 0.00 179.45 178.22 1n62 h ALA 589 N 1.28 0.75 -0.54 5.00 0.00 -0.76 0.57 119.26 125.56 1n62 h ALA 589 Ca 0.31 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1n62 h ALA 589 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1n62 h ALA 589 CO -0.05 0.45 -0.03 -0.22 0.00 0.00 0.00 179.25 179.40 1n62 h LYS 590 N 0.82 0.98 -0.68 0.00 3.64 -0.63 -2.33 116.57 118.36 1n62 h LYS 590 Ca 0.18 -0.33 0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1n62 h LYS 590 Cb 0.34 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1n62 h LYS 590 CO 0.00 1.00 0.45 0.00 -2.27 0.00 0.00 179.45 178.62 1n62 h ALA 591 N 0.95 1.69 -0.65 5.00 0.00 -0.25 0.16 119.26 126.16 1n62 h ALA 591 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1n62 h ALA 591 Cb 0.58 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1n62 h ALA 591 CO 0.03 0.22 0.17 0.37 0.00 0.00 0.00 179.25 180.04 1n62 h GLN 592 N 0.74 1.03 -0.62 0.00 4.15 -0.57 0.19 115.11 120.03 1n62 h GLN 592 Ca 0.28 -0.24 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 1n62 h GLN 592 Cb 0.18 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 1n62 h GLN 592 CO -0.09 0.92 0.16 0.52 -1.93 0.00 0.00 178.83 178.42 1n62 h MET 593 N 0.95 0.96 -0.43 1.69 2.86 -0.68 -0.00 114.93 120.28 1n62 h MET 593 Ca 0.20 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1n62 h MET 593 Cb 0.34 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1n62 h MET 593 CO 0.00 0.84 -0.04 0.82 1.06 0.00 0.00 176.91 179.60 1n62 h ILE 594 N 0.92 1.27 -0.75 -1.22 2.04 -0.44 -1.64 117.51 117.68 1n62 h ILE 594 Ca 0.20 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1n62 h ILE 594 Cb 0.31 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1n62 h ILE 594 CO -0.00 0.37 0.49 0.00 0.00 0.00 0.00 178.15 179.01 1n62 h ALA 595 N 0.88 1.44 -0.52 1.87 0.00 -0.28 -0.26 119.26 122.39 1n62 h ALA 595 Ca 0.12 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1n62 h ALA 595 Cb 0.54 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1n62 h ALA 595 CO 0.03 0.51 -0.14 0.00 0.00 0.00 0.00 179.25 179.65 1n62 h ALA 596 N 1.51 0.77 -0.50 0.00 0.00 -0.64 0.11 119.26 120.51 1n62 h ALA 596 Ca 0.28 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1n62 h ALA 596 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1n62 h ALA 596 CO -0.06 0.67 0.07 1.25 0.00 0.00 0.00 179.25 181.18 1n62 h HIS 597 N 0.89 0.89 -0.27 0.00 6.17 -0.55 -0.38 115.15 121.90 1n62 h HIS 597 Ca 0.13 -0.13 -0.07 0.00 0.71 0.00 0.00 60.37 61.01 1n62 h HIS 597 Cb 0.70 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 30.38 1n62 h HIS 597 CO 0.05 0.82 -0.11 0.52 0.71 0.00 0.00 177.93 179.91 1n62 h MET 598 N 0.71 0.56 -0.01 5.26 2.86 -0.48 -2.89 114.93 120.94 1n62 h MET 598 Ca 0.15 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1n62 h MET 598 Cb 0.41 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1n62 h MET 598 CO 0.01 0.80 -0.12 1.28 1.06 0.00 0.00 176.91 179.94 1n62 n LEU 599 N -4.46 0.80 -3.57 1.22 4.77 0.32 -4.95 117.00 111.14 1n62 n LEU 599 Ca -0.04 -0.17 -0.20 0.00 -0.03 0.00 0.00 56.01 55.57 1n62 n LEU 599 Cb 0.35 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1n62 n LEU 599 CO 0.41 0.14 0.07 -0.62 -1.33 0.00 0.00 177.39 176.06 1n62 n GLU 600 N -0.64 -6.19 -4.26 3.23 1.02 -0.25 -5.00 120.64 108.56 1n62 n GLU 600 Ca 0.16 0.76 -0.14 0.00 -0.02 0.00 0.00 57.16 57.91 1n62 n GLU 600 Cb 0.30 -5.63 -0.10 0.00 -0.02 0.00 0.00 31.44 25.99 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 -3.45 0.62 0.58 2.62 -7.23 -0.63 -5.05 120.40 107.87 1n62 s VAL 601 Ca 0.12 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.13 1n62 s VAL 601 Cb -0.06 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 1n62 s VAL 601 CO 0.76 -0.32 1.12 -1.00 -0.31 0.00 0.00 175.10 175.35 1n62 s HIS 602 N -3.70 2.67 0.47 2.82 3.76 -1.26 -4.47 115.29 115.57 1n62 s HIS 602 Ca 0.28 1.55 0.14 0.00 -0.15 0.00 0.00 55.06 56.88 1n62 s HIS 602 Cb 0.07 -3.23 1.11 0.00 1.11 0.00 0.00 32.58 31.64 1n62 s HIS 602 CO 0.07 -1.59 2.06 0.93 -0.85 0.00 0.00 174.74 175.36 1n62 h GLU 603 N 0.77 0.25 0.00 1.40 5.08 -1.91 0.10 114.58 120.28 1n62 h GLU 603 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1n62 h GLU 603 Cb 1.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1n62 h GLU 603 CO 0.56 0.16 0.00 0.41 -1.00 0.00 0.00 179.01 179.14 1n62 n GLY 604 N -1.53 -1.32 0.09 -3.84 0.00 -1.26 -1.81 105.19 95.52 1n62 n GLY 604 Ca 0.04 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.81 0.48 -4.93 1.61 8.00 0.36 -4.86 116.55 115.40 1n62 n ASP 605 Ca 0.04 -0.38 -0.29 0.00 0.71 0.00 0.00 54.79 54.88 1n62 n ASP 605 Cb 0.27 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 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 -2.68 4.31 0.02 0.64 1.43 -0.75 -0.06 118.68 121.60 1n62 s LEU 606 Ca 0.22 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1n62 s LEU 606 Cb 0.19 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 1n62 s LEU 606 CO 0.54 0.07 -0.06 -1.83 0.23 0.00 0.00 176.35 175.30 1n62 s GLU 607 N -2.93 0.44 0.09 1.70 -1.05 -0.04 -4.85 118.70 112.07 1n62 s GLU 607 Ca 0.36 -0.54 -0.28 0.00 -0.15 0.00 0.00 54.97 54.37 1n62 s GLU 607 Cb -0.12 -0.26 -0.06 0.00 -0.44 0.00 0.00 34.13 33.26 1n62 s GLU 607 CO 0.28 0.05 0.87 -0.46 0.95 0.00 0.00 175.26 176.95 1n62 s TRP 608 N -0.96 3.80 -0.42 4.83 -0.11 -1.26 -0.69 118.94 124.12 1n62 s TRP 608 Ca -0.07 1.66 0.05 0.00 1.22 0.00 0.00 56.10 58.96 1n62 s TRP 608 Cb -0.07 -2.93 0.20 0.00 -1.50 0.00 0.00 33.47 29.16 1n62 s TRP 608 CO 0.00 0.27 0.42 -3.47 -4.62 0.00 0.00 176.95 169.54 1n62 n ASP 609 N 2.65 -0.03 0.00 5.86 2.03 0.11 -4.93 116.55 122.23 1n62 n ASP 609 Ca -0.00 -2.54 0.00 0.00 0.52 0.00 0.00 54.79 52.77 1n62 n ASP 609 Cb 0.49 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 2.28 0.00 -1.77 5.18 0.31 -1.26 -2.96 118.33 120.11 1n62 n VAL 610 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 1n62 n VAL 610 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 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 3.02 0.00 -3.51 4.52 5.75 -1.26 -3.27 116.55 121.80 1n62 n ASP 611 Ca 0.00 -1.40 -0.13 0.00 -0.01 0.00 0.00 54.79 53.25 1n62 n ASP 611 Cb 0.00 -0.08 -0.04 0.00 -1.03 0.00 0.00 41.12 39.97 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 1.15 -0.17 0.11 1.70 -1.16 -0.34 118.95 120.24 1n62 s ARG 612 Ca 0.00 -0.35 -0.10 0.00 -0.47 0.00 0.00 55.73 54.80 1n62 s ARG 612 Cb 0.00 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.86 1n62 s ARG 612 CO 0.00 -0.46 0.17 -0.06 -1.08 0.00 0.00 175.30 173.87 1n62 s PHE 613 N -3.09 3.46 0.15 5.89 0.08 0.14 0.05 117.98 124.65 1n62 s PHE 613 Ca -0.02 0.43 0.07 0.00 0.12 0.00 0.00 56.93 57.53 1n62 s PHE 613 Cb -0.00 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 1n62 s PHE 613 CO -0.07 0.36 -0.02 1.03 -0.10 0.00 0.00 175.22 176.42 1n62 s ARG 614 N 0.12 2.36 -0.26 0.44 0.52 0.13 -0.74 118.95 121.52 1n62 s ARG 614 Ca 0.11 -1.05 -0.29 0.00 -0.52 0.00 0.00 55.73 53.98 1n62 s ARG 614 Cb -0.12 -2.37 0.01 0.00 0.52 0.00 0.00 34.95 32.99 1n62 s ARG 614 CO 0.01 0.48 1.03 0.08 0.02 0.00 0.00 175.30 176.92 1n62 s VAL 615 N -1.57 4.63 0.03 3.52 1.01 -0.08 -0.86 120.40 127.08 1n62 s VAL 615 Ca 0.26 1.88 -0.39 0.00 0.00 0.00 0.00 61.98 63.73 1n62 s VAL 615 Cb -0.10 -4.33 -0.19 0.00 0.00 0.00 0.00 36.38 31.76 1n62 s VAL 615 CO 0.18 -0.28 1.09 0.29 0.00 0.00 0.00 175.10 176.38 1n62 n LYS 616 N 6.49 0.23 0.00 2.72 5.02 0.92 0.06 118.16 133.60 1n62 n LYS 616 Ca 0.11 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1n62 n LYS 616 Cb 0.47 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.72 1.53 2.70 0.72 0.00 -1.26 -4.82 105.19 105.78 1n62 n GLY 617 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 4.63 0.00 0.99 4.77 0.11 -4.93 117.00 122.57 1n62 n LEU 618 Ca 0.00 -5.52 0.00 0.00 -0.03 0.00 0.00 56.01 50.46 1n62 n LEU 618 Cb 0.00 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1n62 n LEU 618 CO 0.00 2.15 0.48 -0.81 -1.33 0.00 0.00 177.39 177.87 1n62 n PRO 619 N 0.37 0.00 0.22 3.23 -0.04 -1.19 0.25 135.00 137.83 1n62 n PRO 619 Ca 0.32 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.27 1n62 n PRO 619 Cb 0.38 -1.58 0.20 0.00 -0.04 0.00 0.00 33.50 32.46 1n62 n PRO 619 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1n62 h GLU 620 N 0.00 0.00 -4.66 0.54 9.09 -1.92 -3.41 114.58 114.22 1n62 h GLU 620 Ca 0.00 0.00 -0.71 0.00 0.05 0.00 0.00 59.36 58.70 1n62 h GLU 620 Cb 0.16 0.00 -0.20 0.00 -1.65 0.00 0.00 28.75 27.06 1n62 h GLU 620 CO 0.00 0.05 -0.19 0.15 0.05 0.00 0.00 179.01 179.06 1n62 s LYS 621 N -3.23 3.05 0.09 1.06 1.02 0.14 -5.04 119.74 116.82 1n62 s LYS 621 Ca 0.06 -1.04 -0.17 0.00 0.02 0.00 0.00 55.97 54.85 1n62 s LYS 621 Cb 0.06 -4.07 0.03 0.00 -0.52 0.00 0.00 37.83 33.33 1n62 s LYS 621 CO 0.67 -1.02 0.40 -0.59 -0.92 0.00 0.00 175.35 173.88 1n62 s PHE 622 N 2.07 -0.22 -0.06 3.18 -0.71 -1.26 -0.90 117.98 120.07 1n62 s PHE 622 Ca 0.09 0.02 0.02 0.00 -1.04 0.00 0.00 56.93 56.02 1n62 s PHE 622 Cb -0.20 0.24 0.02 0.00 -1.21 0.00 0.00 43.02 41.86 1n62 s PHE 622 CO 0.10 -0.65 -0.10 0.15 -1.34 0.00 0.00 175.22 173.38 1n62 s LYS 623 N -3.27 1.52 0.68 1.99 -0.14 0.08 -4.98 119.74 115.62 1n62 s LYS 623 Ca -0.00 -0.35 -0.11 0.00 -1.36 0.00 0.00 55.97 54.15 1n62 s LYS 623 Cb 0.01 -1.30 -0.00 0.00 -1.68 0.00 0.00 37.83 34.86 1n62 s LYS 623 CO -0.08 -0.01 1.06 0.95 -0.76 0.00 0.00 175.35 176.51 1n62 s THR 624 N 0.75 4.11 0.31 2.17 -4.23 -1.26 -0.69 115.64 116.81 1n62 s THR 624 Ca -0.13 0.69 -0.01 0.00 -1.18 0.00 0.00 61.69 61.06 1n62 s THR 624 Cb -0.15 -3.58 0.25 0.00 1.34 0.00 0.00 72.50 70.35 1n62 s THR 624 CO 0.03 -0.90 1.96 -0.03 -0.54 0.00 0.00 174.62 175.14 1n62 h MET 625 N -0.58 0.98 -0.67 3.99 4.05 -0.99 0.22 114.93 121.93 1n62 h MET 625 Ca -0.44 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 58.87 1n62 h MET 625 Cb 1.22 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 31.77 1n62 h MET 625 CO 0.61 0.67 0.30 -0.22 0.23 0.00 0.00 176.91 178.50 1n62 h LYS 626 N 1.00 0.98 -0.28 0.39 3.64 -1.92 0.16 116.57 120.54 1n62 h LYS 626 Ca 0.26 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 1n62 h LYS 626 Cb -0.06 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1n62 h LYS 626 CO -0.05 0.80 -0.35 0.93 -2.27 0.00 0.00 179.45 178.50 1n62 h GLU 627 N 0.94 0.63 -0.49 1.90 5.08 -1.57 -2.12 114.58 118.96 1n62 h GLU 627 Ca 0.23 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1n62 h GLU 627 Cb 0.16 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1n62 h GLU 627 CO -0.02 0.89 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.69 1n62 h LEU 628 N 0.52 0.94 -0.43 1.33 3.38 -0.11 0.96 115.31 121.90 1n62 h LEU 628 Ca 0.05 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1n62 h LEU 628 Cb 0.86 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1n62 h LEU 628 CO 0.07 1.08 0.21 0.00 0.09 0.00 0.00 178.44 179.89 1n62 h ALA 629 N 0.89 0.53 -0.47 1.53 0.00 -0.46 -0.10 119.26 121.18 1n62 h ALA 629 Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1n62 h ALA 629 Cb 0.66 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1n62 h ALA 629 CO 0.05 -0.15 0.16 2.35 0.00 0.00 0.00 179.25 181.66 1n62 h TRP 630 N 0.42 0.75 -0.31 0.00 2.91 -1.16 -2.50 115.95 116.07 1n62 h TRP 630 Ca 0.19 -0.07 0.01 0.00 1.13 0.00 0.00 58.89 60.15 1n62 h TRP 630 Cb 0.10 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.51 1n62 h TRP 630 CO -0.10 0.66 0.21 0.00 -1.03 0.00 0.00 178.44 178.17 1n62 h ALA 631 N 1.01 1.82 0.00 2.65 0.00 -0.35 0.23 119.26 124.62 1n62 h ALA 631 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1n62 h ALA 631 Cb 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n62 h ALA 631 CO -0.01 0.16 -0.04 0.66 0.00 0.00 0.00 179.25 180.02 1n62 h SER 632 N 0.39 0.00 0.01 0.00 4.64 -0.55 0.29 113.55 118.33 1n62 h SER 632 Ca 0.12 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.06 1n62 h SER 632 Cb 0.01 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.03 1n62 h SER 632 CO -0.03 0.04 -2.42 -1.22 -0.87 0.00 0.00 176.83 172.34 1n62 n TYR 633 N -3.38 0.07 0.00 4.77 4.02 -0.36 -0.68 117.16 121.60 1n62 n TYR 633 Ca -0.02 0.02 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 1n62 n TYR 633 Cb 0.18 -1.01 -0.14 0.00 -0.02 0.00 0.00 39.34 38.35 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 0.00 0.32 -1.59 7.72 -0.73 -0.27 -3.42 115.58 117.62 1n62 h ASN 634 Ca -0.56 -0.70 -0.43 0.00 1.87 0.00 0.00 56.30 56.48 1n62 h ASN 634 Cb 2.00 -0.10 -0.37 0.00 0.27 0.00 0.00 38.32 40.12 1n62 h ASN 634 CO -0.05 1.62 -1.10 -1.20 -0.37 0.00 0.00 177.43 176.34 1n62 n SER 635 N -3.37 0.50 -4.72 1.15 7.64 0.97 -5.02 113.62 110.77 1n62 n SER 635 Ca -0.27 -3.03 -0.42 0.00 1.01 0.00 0.00 58.87 56.16 1n62 n SER 635 Cb 1.05 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.94 1n62 n SER 635 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1n62 s PRO 636 N -2.17 4.19 0.34 1.43 0.04 -0.91 -4.69 135.00 133.23 1n62 s PRO 636 Ca 0.36 2.42 -0.28 0.00 0.04 0.00 0.00 61.00 63.54 1n62 s PRO 636 Cb 0.36 -3.15 -0.12 0.00 0.04 0.00 0.00 34.50 31.62 1n62 s PRO 636 CO -0.06 -0.65 1.33 -2.30 0.04 0.00 0.00 177.00 175.37 1n62 n PRO 637 N 4.05 2.22 0.24 0.56 -0.02 -1.26 -4.85 135.00 135.94 1n62 n PRO 637 Ca 0.14 0.78 0.07 0.00 -2.02 0.00 0.00 63.50 62.47 1n62 n PRO 637 Cb 0.38 -2.39 0.57 0.00 -0.02 0.00 0.00 33.50 32.03 1n62 n PRO 637 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1n62 h PRO 638 N 2.73 0.00 0.00 0.52 0.13 -2.00 -0.25 132.00 133.13 1n62 h PRO 638 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1n62 h PRO 638 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1n62 h PRO 638 CO 0.64 0.12 0.00 0.09 -0.23 0.00 0.00 178.00 178.61 1n62 n ASN 639 N -4.34 0.52 -4.37 1.44 5.03 -1.26 -4.84 115.26 107.44 1n62 n ASN 639 Ca -0.03 0.65 -0.22 0.00 0.87 0.00 0.00 54.58 55.86 1n62 n ASN 639 Cb 0.19 -0.75 -0.11 0.00 -1.02 0.00 0.00 39.78 38.09 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 -4.20 2.50 0.52 3.41 1.43 -0.11 -5.11 118.68 117.12 1n62 s LEU 640 Ca 0.03 -0.94 -0.19 0.00 -1.03 0.00 0.00 54.13 52.00 1n62 s LEU 640 Cb 0.08 -0.87 -0.07 0.00 0.03 0.00 0.00 46.19 45.37 1n62 s LEU 640 CO 0.31 -0.04 1.06 -1.61 0.23 0.00 0.00 176.35 176.29 1n62 s GLU 641 N -3.16 3.61 1.12 1.70 2.02 -1.26 -4.66 118.70 118.07 1n62 s GLU 641 Ca 0.21 1.37 -0.12 0.00 0.02 0.00 0.00 54.97 56.44 1n62 s GLU 641 Cb -0.04 -2.07 0.26 0.00 0.10 0.00 0.00 34.13 32.38 1n62 s GLU 641 CO 0.09 -0.59 1.05 -2.14 0.02 0.00 0.00 175.26 173.68 1n62 s PRO 642 N -3.44 -0.55 0.00 0.39 0.02 -1.26 -4.89 135.00 125.27 1n62 s PRO 642 Ca 0.67 0.83 0.00 0.00 0.02 0.00 0.00 61.00 62.52 1n62 s PRO 642 Cb -0.17 -1.60 0.00 0.00 0.02 0.00 0.00 34.50 32.75 1n62 s PRO 642 CO 0.25 -3.47 0.00 0.41 -0.33 0.00 0.00 177.00 173.85 1n62 n GLY 643 N 0.40 -1.36 2.94 0.52 0.00 0.14 -4.96 105.19 102.87 1n62 n GLY 643 Ca 0.04 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.97 -0.77 0.18 0.99 2.96 -1.26 -4.83 118.68 112.97 1n62 s LEU 644 Ca 0.00 -0.72 -0.23 0.00 -0.22 0.00 0.00 54.13 52.96 1n62 s LEU 644 Cb 0.00 1.16 0.06 0.00 0.50 0.00 0.00 46.19 47.91 1n62 s LEU 644 CO 0.00 -0.30 0.64 -1.83 -1.32 0.00 0.00 176.35 173.54 1n62 s GLU 645 N 2.17 1.36 0.16 1.98 -1.05 -1.26 -0.81 118.70 121.25 1n62 s GLU 645 Ca 0.13 -0.57 -0.23 0.00 -0.15 0.00 0.00 54.97 54.15 1n62 s GLU 645 Cb -0.12 0.58 0.07 0.00 -0.44 0.00 0.00 34.13 34.23 1n62 s GLU 645 CO -0.19 -0.60 0.61 0.00 0.95 0.00 0.00 175.26 176.02 1n62 s ALA 646 N -3.76 -1.59 0.08 -0.84 0.00 0.07 -4.75 121.76 110.97 1n62 s ALA 646 Ca 0.03 0.46 0.07 0.00 0.00 0.00 0.00 51.96 52.52 1n62 s ALA 646 Cb -0.02 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1n62 s ALA 646 CO -0.09 -0.78 -0.18 0.08 0.00 0.00 0.00 175.76 174.79 1n62 s VAL 647 N -3.75 1.44 -0.01 0.00 1.01 -1.26 -0.29 120.40 117.54 1n62 s VAL 647 Ca 0.01 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.65 1n62 s VAL 647 Cb -0.01 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1n62 s VAL 647 CO -0.12 -0.06 0.01 0.21 0.00 0.00 0.00 175.10 175.13 1n62 s ASN 648 N -1.64 0.13 -0.27 3.32 3.84 0.03 -4.76 114.94 115.59 1n62 s ASN 648 Ca 0.03 0.01 -0.05 0.00 0.21 0.00 0.00 52.86 53.05 1n62 s ASN 648 Cb -0.09 -0.06 0.00 0.00 -0.55 0.00 0.00 41.25 40.54 1n62 s ASN 648 CO 0.03 -0.06 0.03 -0.31 -2.79 0.00 0.00 177.10 174.00 1n62 s TYR 649 N 0.55 3.09 -0.35 0.43 1.51 -1.26 -1.07 117.35 120.25 1n62 s TYR 649 Ca -0.05 -0.98 -0.10 0.00 -1.01 0.00 0.00 57.07 54.93 1n62 s TYR 649 Cb -0.07 -2.19 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 1n62 s TYR 649 CO -0.01 -0.56 0.18 -0.47 -1.11 0.00 0.00 175.55 173.57 1n62 s TYR 650 N 1.48 3.21 -0.51 2.71 5.04 0.80 -4.94 117.35 125.15 1n62 s TYR 650 Ca 0.03 -0.81 -0.17 0.00 -2.44 0.00 0.00 57.07 53.68 1n62 s TYR 650 Cb -0.16 -2.40 0.08 0.00 0.35 0.00 0.00 41.96 39.83 1n62 s TYR 650 CO 0.00 -0.57 0.51 0.34 -1.34 0.00 0.00 175.55 174.50 1n62 s ASP 651 N 1.57 6.18 0.48 4.32 2.15 -1.26 -2.01 116.67 128.10 1n62 s ASP 651 Ca 0.03 -1.28 -0.23 0.00 0.43 0.00 0.00 52.55 51.50 1n62 s ASP 651 Cb -0.18 -2.23 -0.07 0.00 -0.30 0.00 0.00 42.92 40.14 1n62 s ASP 651 CO 0.06 -0.80 1.28 -2.16 -0.17 0.00 0.00 175.17 173.38 1n62 s PRO 652 N 2.04 3.56 0.38 4.34 0.04 -1.26 -4.90 135.00 139.21 1n62 s PRO 652 Ca 0.08 2.05 0.20 0.00 0.04 0.00 0.00 61.00 63.37 1n62 s PRO 652 Cb -0.24 -2.43 0.58 0.00 0.04 0.00 0.00 34.50 32.46 1n62 s PRO 652 CO 0.08 -0.79 1.68 -1.00 0.04 0.00 0.00 177.00 177.00 1n62 h PRO 653 N 1.96 0.00 -2.90 0.56 0.13 -1.94 -3.26 132.00 126.56 1n62 h PRO 653 Ca -0.50 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 1n62 h PRO 653 Cb 1.27 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 1n62 h PRO 653 CO 0.60 0.32 0.27 1.21 -0.23 0.00 0.00 178.00 180.16 1n62 s ASN 654 N -6.30 -0.28 1.01 1.44 3.84 -1.26 -4.84 114.94 108.54 1n62 s ASN 654 Ca 0.02 -0.51 -0.12 0.00 0.21 0.00 0.00 52.86 52.46 1n62 s ASN 654 Cb 0.09 0.68 0.19 0.00 -0.55 0.00 0.00 41.25 41.66 1n62 s ASN 654 CO 0.68 -1.24 1.08 -0.04 -2.79 0.00 0.00 177.10 174.79 1n62 s MET 655 N -3.80 0.35 0.13 0.43 -1.94 -1.26 -4.76 119.30 108.45 1n62 s MET 655 Ca 0.10 0.62 0.04 0.00 -1.71 0.00 0.00 55.69 54.74 1n62 s MET 655 Cb -0.05 -1.72 -0.04 0.00 2.01 0.00 0.00 34.83 35.03 1n62 s MET 655 CO 0.04 -2.81 0.13 0.95 -0.01 0.00 0.00 175.02 173.33 1n62 s THR 656 N -2.89 4.60 -0.51 2.05 -4.23 0.63 -4.71 115.64 110.58 1n62 s THR 656 Ca 0.65 -0.93 0.05 0.00 -1.18 0.00 0.00 61.69 60.28 1n62 s THR 656 Cb -0.19 -3.31 0.20 0.00 1.34 0.00 0.00 72.50 70.54 1n62 s THR 656 CO 0.58 -0.03 0.48 -1.22 -0.54 0.00 0.00 174.62 173.89 1n62 n TYR 657 N -0.11 0.85 -1.18 3.99 4.02 -1.26 -0.39 117.16 123.09 1n62 n TYR 657 Ca -0.08 -3.73 -0.29 0.00 -0.01 0.00 0.00 57.90 53.79 1n62 n TYR 657 Cb 0.54 -0.20 0.15 0.00 -0.02 0.00 0.00 39.34 39.80 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 -0.95 1.04 0.27 -0.72 0.04 -1.25 -4.71 135.00 128.71 1n62 s PRO 658 Ca 0.32 0.77 -0.08 0.00 0.04 0.00 0.00 61.00 62.06 1n62 s PRO 658 Cb 0.07 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 1n62 s PRO 658 CO -0.15 -2.38 0.41 -0.59 0.04 0.00 0.00 177.00 174.34 1n62 s PHE 659 N -2.93 0.71 0.21 0.56 -0.71 -0.66 -0.57 117.98 114.60 1n62 s PHE 659 Ca 0.64 -1.01 -0.22 0.00 -1.04 0.00 0.00 56.93 55.29 1n62 s PHE 659 Cb -0.18 -0.03 0.05 0.00 -1.21 0.00 0.00 43.02 41.64 1n62 s PHE 659 CO 0.57 -0.97 0.67 0.20 -1.34 0.00 0.00 175.22 174.35 1n62 s GLY 660 N -3.11 -0.37 -0.19 1.99 0.00 -0.55 -0.68 107.32 104.41 1n62 s GLY 660 Ca 0.28 0.14 -0.02 0.00 0.00 0.00 0.00 44.72 45.11 1n62 s GLY 660 CO 0.13 0.05 0.02 0.00 0.00 0.00 0.00 173.10 173.29 1n62 s ALA 661 N -3.80 1.16 -0.08 3.20 0.00 0.05 -1.41 121.76 120.89 1n62 s ALA 661 Ca 0.06 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1n62 s ALA 661 Cb -0.03 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 1n62 s ALA 661 CO -0.04 -1.14 -0.19 0.71 0.00 0.00 0.00 175.76 175.11 1n62 s TYR 662 N 1.78 2.62 -0.05 0.00 1.51 0.50 -1.31 117.35 122.40 1n62 s TYR 662 Ca -0.01 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1n62 s TYR 662 Cb -0.17 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1n62 s TYR 662 CO -0.08 -0.10 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.09 1n62 s PHE 663 N -0.18 1.24 -0.04 2.71 0.40 0.06 -0.85 117.98 121.31 1n62 s PHE 663 Ca -0.02 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.98 1n62 s PHE 663 Cb -0.13 -0.90 -0.01 0.00 0.51 0.00 0.00 43.02 42.49 1n62 s PHE 663 CO 0.03 -0.19 -0.19 0.00 0.70 0.00 0.00 175.22 175.57 1n62 s ILE 665 N -0.09 3.36 -0.06 0.00 1.09 0.03 0.07 121.20 125.60 1n62 s ILE 665 Ca -0.02 -0.54 0.04 0.00 -1.10 0.00 0.00 60.65 59.03 1n62 s ILE 665 Cb -0.11 -2.46 0.00 0.00 -1.06 0.00 0.00 42.46 38.83 1n62 s ILE 665 CO 0.02 0.49 -0.17 -0.32 -0.10 0.00 0.00 174.94 174.86 1n62 s MET 666 N 0.61 1.96 -0.07 2.79 1.75 0.08 0.43 119.30 126.84 1n62 s MET 666 Ca -0.05 -0.59 -0.00 0.00 -1.25 0.00 0.00 55.69 53.79 1n62 s MET 666 Cb -0.15 -1.63 -0.03 0.00 2.84 0.00 0.00 34.83 35.86 1n62 s MET 666 CO 0.03 0.17 -0.03 -0.51 -0.65 0.00 0.00 175.02 174.03 1n62 s ASP 667 N 0.27 4.97 -0.05 1.11 1.01 0.53 0.04 116.67 124.55 1n62 s ASP 667 Ca -0.09 0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.25 1n62 s ASP 667 Cb -0.14 -1.33 0.02 0.00 1.01 0.00 0.00 42.92 42.48 1n62 s ASP 667 CO 0.04 0.37 -0.08 -0.63 0.21 0.00 0.00 175.17 175.07 1n62 s ILE 668 N -0.86 0.82 -0.45 0.77 1.01 0.91 0.19 121.20 123.58 1n62 s ILE 668 Ca 0.13 -0.30 -0.25 0.00 0.00 0.00 0.00 60.65 60.23 1n62 s ILE 668 Cb -0.11 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.61 1n62 s ILE 668 CO 0.02 0.28 0.89 -0.62 0.00 0.00 0.00 174.94 175.52 1n62 s ASP 669 N 0.70 6.49 0.51 3.58 -1.08 0.19 -0.71 116.67 126.35 1n62 s ASP 669 Ca -0.12 0.09 0.32 0.00 -0.52 0.00 0.00 52.55 52.32 1n62 s ASP 669 Cb -0.14 -2.44 1.31 0.00 -1.46 0.00 0.00 42.92 40.19 1n62 s ASP 669 CO 0.02 -1.01 1.94 -0.37 0.52 0.00 0.00 175.17 176.27 1n62 h VAL 670 N 6.05 0.00 0.01 1.11 -1.51 -1.57 0.15 116.25 120.48 1n62 h VAL 670 Ca -0.24 -0.48 -0.21 0.00 -1.23 0.00 0.00 66.70 64.54 1n62 h VAL 670 Cb 1.08 1.44 -0.03 0.00 -2.13 0.00 0.00 31.29 31.65 1n62 h VAL 670 CO 1.01 0.00 -1.01 0.44 -1.23 0.00 0.00 177.57 176.78 1n62 h ASP 671 N 0.00 0.02 0.00 4.19 3.32 -1.91 -3.34 116.42 118.70 1n62 h ASP 671 Ca 0.00 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1n62 h ASP 671 Cb 0.50 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1n62 h ASP 671 CO 0.00 1.01 -1.64 0.35 -1.72 0.00 0.00 179.24 177.24 1n62 n THR 672 N -3.36 0.01 -0.84 0.35 -2.24 -1.15 -4.99 114.28 102.06 1n62 n THR 672 Ca -0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1n62 n THR 672 Cb 0.94 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 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 1.71 0.78 3.67 3.38 0.00 0.51 -4.46 105.19 110.79 1n62 n GLY 673 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.00 4.80 -0.10 1.61 1.01 -1.18 -4.11 120.40 119.42 1n62 s VAL 674 Ca 0.00 1.88 -0.04 0.00 0.00 0.00 0.00 61.98 63.82 1n62 s VAL 674 Cb 0.00 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1n62 s VAL 674 CO 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 175.10 175.14 1n62 s ALA 675 N 2.33 3.55 -0.10 5.51 0.00 -1.26 -0.63 121.76 131.16 1n62 s ALA 675 Ca 0.44 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1n62 s ALA 675 Cb -0.17 -1.70 0.02 0.00 0.00 0.00 0.00 23.12 21.28 1n62 s ALA 675 CO 0.13 0.60 -0.09 0.21 0.00 0.00 0.00 175.76 176.62 1n62 s LYS 676 N -0.96 1.52 0.03 0.00 2.47 0.13 -4.98 119.74 117.95 1n62 s LYS 676 Ca 0.14 -0.28 -0.30 0.00 -1.56 0.00 0.00 55.97 53.97 1n62 s LYS 676 Cb -0.12 -1.49 -0.07 0.00 -1.46 0.00 0.00 37.83 34.69 1n62 s LYS 676 CO 0.03 -0.18 1.60 0.99 0.16 0.00 0.00 175.35 177.95 1n62 s THR 677 N 1.41 3.27 -0.10 3.43 2.01 -1.26 -0.34 115.64 124.05 1n62 s THR 677 Ca -0.01 0.64 -0.16 0.00 0.31 0.00 0.00 61.69 62.48 1n62 s THR 677 Cb -0.13 -3.41 -0.27 0.00 0.01 0.00 0.00 72.50 68.69 1n62 s THR 677 CO -0.05 -0.01 0.57 -0.09 -0.69 0.00 0.00 174.62 174.35 1n62 h ARG 678 N 8.44 0.24 -2.35 4.92 2.43 -0.37 -3.47 114.38 124.21 1n62 h ARG 678 Ca -0.41 -0.41 -0.08 0.00 -0.81 0.00 0.00 59.98 58.27 1n62 h ARG 678 Cb 1.19 0.15 -0.23 0.00 -0.42 0.00 0.00 29.97 30.67 1n62 h ARG 678 CO 0.93 1.20 -0.05 0.50 -1.51 0.00 0.00 179.97 181.03 1n62 s ARG 679 N -2.47 0.66 -0.13 0.20 3.52 -1.08 -4.97 118.95 114.67 1n62 s ARG 679 Ca -0.20 0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 56.20 1n62 s ARG 679 Cb 0.04 0.31 0.04 0.00 -1.56 0.00 0.00 34.95 33.78 1n62 s ARG 679 CO 0.77 -0.08 -0.02 0.12 -0.81 0.00 0.00 175.30 175.27 1n62 s PHE 680 N 0.38 1.12 -0.19 5.12 2.19 -1.26 -0.79 117.98 124.56 1n62 s PHE 680 Ca -0.01 -0.63 -0.04 0.00 0.33 0.00 0.00 56.93 56.59 1n62 s PHE 680 Cb -0.04 -1.04 -0.02 0.00 -1.31 0.00 0.00 43.02 40.61 1n62 s PHE 680 CO -0.00 -0.49 -0.04 -0.47 1.83 0.00 0.00 175.22 176.05 1n62 s TYR 681 N 1.82 2.97 -0.25 10.12 6.14 0.47 -1.25 117.35 137.38 1n62 s TYR 681 Ca 0.03 -0.60 0.01 0.00 0.64 0.00 0.00 57.07 57.14 1n62 s TYR 681 Cb -0.14 -2.03 0.07 0.00 0.42 0.00 0.00 41.96 40.28 1n62 s TYR 681 CO -0.07 -0.29 -0.03 0.00 0.64 0.00 0.00 175.55 175.80 1n62 s ALA 682 N 0.91 1.99 -0.25 3.97 0.00 0.54 -0.76 121.76 128.15 1n62 s ALA 682 Ca -0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 50.36 1n62 s ALA 682 Cb -0.15 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 1n62 s ALA 682 CO 0.01 -1.28 0.24 -1.17 0.00 0.00 0.00 175.76 173.56 1n62 s LEU 683 N 1.38 4.08 -0.04 0.00 0.20 -0.43 -0.66 118.68 123.21 1n62 s LEU 683 Ca -0.03 0.16 0.07 0.00 0.69 0.00 0.00 54.13 55.02 1n62 s LEU 683 Cb -0.19 -2.22 -0.02 0.00 -0.43 0.00 0.00 46.19 43.34 1n62 s LEU 683 CO -0.08 -0.03 -0.25 -1.81 -0.29 0.00 0.00 176.35 173.89 1n62 s ASP 684 N 1.36 3.13 -0.26 3.68 1.01 -0.67 -0.77 116.67 124.15 1n62 s ASP 684 Ca 0.10 -0.47 0.01 0.00 0.71 0.00 0.00 52.55 52.91 1n62 s ASP 684 Cb -0.15 -0.59 0.07 0.00 1.01 0.00 0.00 42.92 43.26 1n62 s ASP 684 CO 0.08 0.29 -0.03 -0.62 0.21 0.00 0.00 175.17 175.10 1n62 s ASP 685 N -0.43 4.03 -0.28 0.27 -1.08 0.14 -3.37 116.67 115.96 1n62 s ASP 685 Ca 0.04 -1.37 0.09 0.00 -0.52 0.00 0.00 52.55 50.79 1n62 s ASP 685 Cb -0.12 -1.23 0.46 0.00 -1.46 0.00 0.00 42.92 40.57 1n62 s ASP 685 CO 0.01 -0.27 1.32 0.00 0.52 0.00 0.00 175.17 176.75 1n62 n GLY 687 N -1.00 1.07 3.71 0.00 0.00 -1.22 -0.64 105.19 107.12 1n62 n GLY 687 Ca 0.32 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1n62 n GLY 687 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n62 n THR 688 N 0.00 0.91 -3.68 2.61 -1.04 -0.77 -4.55 114.28 107.76 1n62 n THR 688 Ca 0.00 -0.23 -0.39 0.00 -2.04 0.00 0.00 64.05 61.39 1n62 n THR 688 Cb 0.00 -1.77 -0.12 0.00 -1.82 0.00 0.00 70.33 66.62 1n62 n THR 688 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1n62 s ARG 689 N -0.34 2.91 0.03 -2.82 0.52 -1.26 -4.38 118.95 113.62 1n62 s ARG 689 Ca 0.67 -1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 54.68 1n62 s ARG 689 Cb -0.56 -3.56 -0.16 0.00 0.52 0.00 0.00 34.95 31.19 1n62 s ARG 689 CO 0.48 -0.59 1.28 0.82 0.02 0.00 0.00 175.30 177.30 1n62 h ILE 690 N 5.91 1.38 -2.51 1.52 2.04 -1.94 -3.26 117.51 120.65 1n62 h ILE 690 Ca -0.27 -1.52 -0.44 0.00 1.00 0.00 0.00 64.86 63.63 1n62 h ILE 690 Cb 1.11 2.06 -0.37 0.00 -0.74 0.00 0.00 36.82 38.88 1n62 h ILE 690 CO 0.63 0.45 -0.71 0.21 0.00 0.00 0.00 178.15 178.72 1n62 s ASN 691 N -6.30 2.67 0.48 1.72 3.84 -1.26 0.52 114.94 116.61 1n62 s ASN 691 Ca -0.14 -1.02 0.15 0.00 0.21 0.00 0.00 52.86 52.05 1n62 s ASN 691 Cb 0.05 0.04 1.15 0.00 -0.55 0.00 0.00 41.25 41.94 1n62 s ASN 691 CO 0.77 -0.41 2.08 -0.65 -2.79 0.00 0.00 177.10 176.10 1n62 h PRO 692 N 8.34 0.19 -0.25 0.43 0.11 -1.79 -1.17 132.00 137.86 1n62 h PRO 692 Ca -0.17 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.90 1n62 h PRO 692 Cb 1.04 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1n62 h PRO 692 CO 0.39 0.13 0.05 1.98 -0.21 0.00 0.00 178.00 180.33 1n62 h MET 693 N 0.19 0.42 -0.52 1.05 4.05 -1.92 -1.15 114.93 117.06 1n62 h MET 693 Ca 0.11 -0.11 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1n62 h MET 693 Cb 0.19 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 1n62 h MET 693 CO -0.02 0.53 0.07 0.82 0.23 0.00 0.00 176.91 178.54 1n62 h ILE 694 N 0.23 1.25 -0.41 1.77 2.04 -1.71 -2.09 117.51 118.60 1n62 h ILE 694 Ca 0.08 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1n62 h ILE 694 Cb 0.31 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1n62 h ILE 694 CO 0.00 0.35 0.26 0.40 0.00 0.00 0.00 178.15 179.16 1n62 h ILE 695 N 0.74 1.11 -0.83 -0.67 2.04 -1.15 -0.94 117.51 117.82 1n62 h ILE 695 Ca 0.16 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1n62 h ILE 695 Cb 0.42 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1n62 h ILE 695 CO 0.01 0.11 0.52 -0.08 0.00 0.00 0.00 178.15 178.71 1n62 h GLU 696 N 0.55 0.93 -0.80 2.37 4.81 -0.94 -0.41 114.58 121.08 1n62 h GLU 696 Ca 0.15 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1n62 h GLU 696 Cb -0.04 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.09 1n62 h GLU 696 CO -0.03 0.62 0.33 0.78 -0.73 0.00 0.00 179.01 179.97 1n62 h GLY 697 N 0.96 1.28 1.02 1.92 0.00 -0.85 0.10 103.07 107.50 1n62 h GLY 697 Ca 0.36 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1n62 h GLY 697 CO -0.16 0.65 0.56 1.46 0.00 0.00 0.00 176.54 179.06 1n62 h GLN 698 N 1.17 1.23 -0.21 4.80 1.08 -0.14 -1.16 115.11 121.88 1n62 h GLN 698 Ca 0.27 -0.10 -0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1n62 h GLN 698 Cb 0.21 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1n62 h GLN 698 CO -0.02 0.85 -0.11 0.28 -0.95 0.00 0.00 178.83 178.88 1n62 h VAL 699 N 1.25 1.31 -0.58 -0.54 2.07 -0.57 -0.40 116.25 118.78 1n62 h VAL 699 Ca 0.33 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 66.74 1n62 h VAL 699 Cb -0.07 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1n62 h VAL 699 CO -0.06 0.36 0.27 0.45 0.02 0.00 0.00 177.57 178.60 1n62 h HIS 700 N 0.14 0.48 -0.43 1.57 3.86 -0.72 0.62 115.15 120.67 1n62 h HIS 700 Ca 0.05 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.20 1n62 h HIS 700 Cb 0.60 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 1n62 h HIS 700 CO 0.06 0.19 -0.03 0.78 0.86 0.00 0.00 177.93 179.80 1n62 h GLY 701 N 0.50 0.85 1.77 2.45 0.00 -1.05 -2.05 103.07 105.54 1n62 h GLY 701 Ca 0.27 -0.65 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 1n62 h GLY 701 CO -0.22 0.59 -0.51 -1.33 0.00 0.00 0.00 176.54 175.08 1n62 h GLY 702 N 0.62 0.26 1.45 4.60 0.00 -0.53 -1.93 103.07 107.54 1n62 h GLY 702 Ca 0.12 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1n62 h GLY 702 CO 0.03 0.26 -0.19 1.41 0.00 0.00 0.00 176.54 178.05 1n62 h LEU 703 N 0.19 0.64 -0.74 3.11 3.38 -0.82 -0.34 115.31 120.72 1n62 h LEU 703 Ca 0.01 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1n62 h LEU 703 Cb 0.96 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1n62 h LEU 703 CO 0.08 0.83 0.07 0.74 0.09 0.00 0.00 178.44 180.26 1n62 h THR 704 N 0.57 1.26 -0.53 0.22 2.02 -1.08 0.61 112.91 115.98 1n62 h THR 704 Ca 0.09 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 1n62 h THR 704 Cb 0.64 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1n62 h THR 704 CO 0.05 0.38 0.25 -0.33 0.37 0.00 0.00 175.52 176.24 1n62 h GLU 705 N 0.96 0.77 -0.55 6.66 5.08 -0.97 -0.49 114.58 126.05 1n62 h GLU 705 Ca 0.19 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1n62 h GLU 705 Cb 0.45 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1n62 h GLU 705 CO 0.02 0.64 0.29 0.00 -1.00 0.00 0.00 179.01 178.96 1n62 h ALA 706 N 1.09 0.70 -0.61 3.43 0.00 -0.55 0.11 119.26 123.43 1n62 h ALA 706 Ca 0.18 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1n62 h ALA 706 Cb 0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1n62 h ALA 706 CO -0.02 0.23 0.31 0.35 0.00 0.00 0.00 179.25 180.12 1n62 h PHE 707 N 0.74 0.57 -0.03 0.00 3.57 -0.63 -0.16 116.94 121.00 1n62 h PHE 707 Ca 0.19 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1n62 h PHE 707 Cb 0.06 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 1n62 h PHE 707 CO -0.01 0.26 0.01 0.00 -2.23 0.00 0.00 178.31 176.34 1n62 h ALA 708 N 1.34 0.03 -0.25 2.41 0.00 -0.18 -0.18 119.26 122.44 1n62 h ALA 708 Ca 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1n62 h ALA 708 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1n62 h ALA 708 CO -0.20 -0.40 0.12 0.28 0.00 0.00 0.00 179.25 179.05 1n62 h VAL 709 N -0.10 1.15 -0.32 0.00 2.07 -0.59 0.26 116.25 118.72 1n62 h VAL 709 Ca 0.01 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 66.97 1n62 h VAL 709 Cb 0.14 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1n62 h VAL 709 CO -0.00 0.15 -0.33 0.00 0.02 0.00 0.00 177.57 177.41 1n62 h ALA 710 N 0.97 0.82 0.00 1.67 0.00 -0.94 -3.33 119.26 118.46 1n62 h ALA 710 Ca 0.08 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1n62 h ALA 710 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n62 h ALA 710 CO -0.01 0.64 -1.22 -1.33 0.00 0.00 0.00 179.25 177.33 1n62 n MET 711 N -4.07 0.39 0.00 0.00 2.00 -0.09 -0.06 117.12 115.30 1n62 n MET 711 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.64 1n62 n MET 711 Cb 0.49 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.24 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 1.43 0.20 3.77 3.03 0.00 -0.21 -2.31 105.19 111.10 1n62 n GLY 712 Ca 0.02 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.96 4.08 -0.07 1.61 -0.21 0.73 -4.48 119.66 120.36 1n62 s GLN 713 Ca 0.00 1.83 -0.30 0.00 0.02 0.00 0.00 55.36 56.91 1n62 s GLN 713 Cb 0.00 -2.69 0.10 0.00 1.00 0.00 0.00 33.01 31.42 1n62 s GLN 713 CO 0.00 -0.29 0.85 -1.83 -2.12 0.00 0.00 175.29 171.90 1n62 s GLU 714 N -2.28 0.83 -0.10 2.91 -1.05 -1.26 -4.72 118.70 113.02 1n62 s GLU 714 Ca 0.57 0.04 0.04 0.00 -0.15 0.00 0.00 54.97 55.46 1n62 s GLU 714 Cb -0.30 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1n62 s GLU 714 CO 0.38 -0.29 -0.22 0.42 0.95 0.00 0.00 175.26 176.50 1n62 s ILE 715 N -1.76 1.94 0.34 1.83 -1.09 -0.51 -4.79 121.20 117.16 1n62 s ILE 715 Ca -0.03 -0.94 0.05 0.00 -2.23 0.00 0.00 60.65 57.51 1n62 s ILE 715 Cb -0.00 -1.69 -0.07 0.00 -1.58 0.00 0.00 42.46 39.12 1n62 s ILE 715 CO 0.01 0.53 0.01 -0.13 -1.23 0.00 0.00 174.94 174.13 1n62 s ARG 716 N 0.46 1.72 -0.01 2.79 0.52 -0.78 -4.53 118.95 119.13 1n62 s ARG 716 Ca -0.16 -1.94 0.03 0.00 -0.52 0.00 0.00 55.73 53.13 1n62 s ARG 716 Cb -0.17 -1.17 -0.01 0.00 0.52 0.00 0.00 34.95 34.12 1n62 s ARG 716 CO 0.07 -0.09 -0.10 0.71 0.02 0.00 0.00 175.30 175.91 1n62 s TYR 717 N -3.05 0.87 0.61 -0.53 1.51 -1.26 0.48 117.35 115.98 1n62 s TYR 717 Ca 0.34 -0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 56.22 1n62 s TYR 717 Cb 0.08 -0.57 0.12 0.00 -0.11 0.00 0.00 41.96 41.49 1n62 s TYR 717 CO 0.15 -0.02 0.83 -0.40 -1.11 0.00 0.00 175.55 175.00 1n62 n ASP 718 N 2.89 0.94 0.28 2.29 5.68 -0.45 -4.88 116.55 123.30 1n62 n ASP 718 Ca -0.14 -1.84 0.17 0.00 -0.50 0.00 0.00 54.79 52.48 1n62 n ASP 718 Cb 0.56 -0.55 0.80 0.00 -1.14 0.00 0.00 41.12 40.79 1n62 n ASP 718 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1n62 h GLU 719 N 0.00 0.00 -0.01 0.11 5.08 -2.00 0.13 114.58 117.90 1n62 h GLU 719 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1n62 h GLU 719 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1n62 h GLU 719 CO 0.28 0.05 -0.08 1.04 -1.00 0.00 0.00 179.01 179.29 1n62 n GLN 720 N -3.23 1.05 -0.84 2.33 3.00 -1.26 -4.80 117.38 113.63 1n62 n GLN 720 Ca -0.01 -0.45 0.00 0.00 -0.01 0.00 0.00 57.00 56.53 1n62 n GLN 720 Cb 0.25 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.00 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 1.21 0.56 3.74 1.08 0.00 0.47 -4.49 105.19 107.76 1n62 n GLY 721 Ca 0.17 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.18 6.74 -0.04 1.61 0.01 -1.26 -4.45 114.94 115.36 1n62 s ASN 722 Ca 0.00 2.54 -0.28 0.00 -0.71 0.00 0.00 52.86 54.41 1n62 s ASN 722 Cb 0.00 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 1n62 s ASN 722 CO 0.00 -0.66 0.93 0.54 -1.51 0.00 0.00 177.10 176.40 1n62 s VAL 723 N 0.29 4.88 -0.03 1.60 0.11 -1.26 -1.35 120.40 124.65 1n62 s VAL 723 Ca 0.60 1.93 0.04 0.00 -2.93 0.00 0.00 61.98 61.62 1n62 s VAL 723 Cb -0.40 -4.26 -0.03 0.00 -1.53 0.00 0.00 36.38 30.16 1n62 s VAL 723 CO 0.39 0.13 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.39 1n62 s LEU 724 N 1.26 2.77 -0.30 2.54 1.43 0.18 -4.65 118.68 121.91 1n62 s LEU 724 Ca 0.48 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1n62 s LEU 724 Cb -0.20 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1n62 s LEU 724 CO 0.23 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.75 1n62 n GLY 725 N 2.10 0.59 2.57 -3.19 0.00 -1.26 -1.86 105.19 104.14 1n62 n GLY 725 Ca -0.17 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 1.05 6.54 -3.63 4.61 0.00 -1.26 -3.23 120.51 124.59 1n62 n ALA 726 Ca -0.03 -3.85 -0.08 0.00 0.00 0.00 0.00 53.44 49.48 1n62 n ALA 726 Cb 0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 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 -0.11 -0.25 0.00 0.00 1.04 -1.26 -4.40 113.70 108.72 1n62 s SER 727 Ca 0.53 -0.61 0.24 0.00 0.48 0.00 0.00 55.95 56.59 1n62 s SER 727 Cb 0.28 0.67 1.40 0.00 0.10 0.00 0.00 66.02 68.48 1n62 s SER 727 CO -0.18 -1.24 1.80 0.49 0.98 0.00 0.00 173.24 175.08 1n62 n PHE 728 N -0.42 0.00 -0.05 5.02 3.72 -1.26 -0.22 117.46 124.24 1n62 n PHE 728 Ca -0.05 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.38 1n62 n PHE 728 Cb 0.60 -0.04 0.38 0.00 -0.94 0.00 0.00 39.48 39.48 1n62 n PHE 728 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1n62 h MET 729 N 0.00 0.64 0.00 -1.08 4.05 -1.95 -3.38 114.93 113.21 1n62 h MET 729 Ca 0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1n62 h MET 729 Cb 0.03 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1n62 h MET 729 CO 0.00 0.44 -0.74 -0.25 0.23 0.00 0.00 176.91 176.59 1n62 n ASP 730 N -4.45 3.50 -4.64 1.39 8.00 -0.62 -5.02 116.55 114.70 1n62 n ASP 730 Ca 0.04 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.11 1n62 n ASP 730 Cb 0.06 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 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 -1.74 2.18 -0.59 1.24 5.36 0.69 -4.89 117.98 120.23 1n62 s PHE 731 Ca 0.00 0.53 -0.27 0.00 -0.96 0.00 0.00 56.93 56.22 1n62 s PHE 731 Cb 0.00 -3.90 0.01 0.00 -0.34 0.00 0.00 43.02 38.79 1n62 s PHE 731 CO 0.00 -2.97 1.49 0.12 -1.46 0.00 0.00 175.22 172.40 1n62 s PHE 732 N 4.68 2.15 -0.25 10.12 5.36 -1.26 -4.70 117.98 134.08 1n62 s PHE 732 Ca 0.69 0.45 -0.03 0.00 -0.96 0.00 0.00 56.93 57.08 1n62 s PHE 732 Cb -0.26 -4.37 0.01 0.00 -0.34 0.00 0.00 43.02 38.06 1n62 s PHE 732 CO 0.27 -2.09 -0.03 -0.51 -1.46 0.00 0.00 175.22 171.40 1n62 s LEU 733 N 6.59 3.22 0.50 6.12 1.43 -1.26 -4.49 118.68 130.79 1n62 s LEU 733 Ca 0.53 -0.68 -0.22 0.00 -1.03 0.00 0.00 54.13 52.73 1n62 s LEU 733 Cb -0.11 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.31 1n62 s LEU 733 CO 0.23 -0.11 1.17 -2.16 0.23 0.00 0.00 176.35 175.71 1n62 s PRO 734 N 1.41 3.56 0.78 1.29 0.04 -1.26 -5.03 135.00 135.79 1n62 s PRO 734 Ca 0.03 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.81 1n62 s PRO 734 Cb -0.16 -2.26 0.15 0.00 0.04 0.00 0.00 34.50 32.27 1n62 s PRO 734 CO -0.03 -0.71 1.06 0.95 0.04 0.00 0.00 177.00 178.31 1n62 s THR 735 N -1.59 2.04 0.57 1.26 -4.23 -1.26 -4.89 115.64 107.54 1n62 s THR 735 Ca 0.67 -0.53 0.27 0.00 -1.18 0.00 0.00 61.69 60.92 1n62 s THR 735 Cb -0.28 -2.50 0.34 0.00 1.34 0.00 0.00 72.50 71.39 1n62 s THR 735 CO 0.33 0.00 2.19 0.00 -0.54 0.00 0.00 174.62 176.60 1n62 h ALA 736 N -0.75 1.73 -0.21 3.99 0.00 -1.96 -1.61 119.26 120.46 1n62 h ALA 736 Ca -0.36 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 1n62 h ALA 736 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1n62 h ALA 736 CO 0.37 -0.10 -0.32 0.28 0.00 0.00 0.00 179.25 179.48 1n62 h VAL 737 N 0.00 1.33 0.00 0.00 2.07 -2.02 -3.27 116.25 114.36 1n62 h VAL 737 Ca 0.03 -1.53 -0.14 0.00 0.82 0.00 0.00 66.70 65.88 1n62 h VAL 737 Cb 0.16 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1n62 h VAL 737 CO -0.00 0.47 -0.69 -0.33 0.02 0.00 0.00 177.57 177.04 1n62 h GLU 738 N 0.27 0.00 -6.34 1.57 3.07 -1.82 -3.45 114.58 107.88 1n62 h GLU 738 Ca 0.02 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.33 1n62 h GLU 738 Cb 0.91 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1n62 h GLU 738 CO 0.07 0.69 0.73 0.99 -1.40 0.00 0.00 179.01 180.09 1n62 s THR 739 N -2.93 4.10 0.87 1.13 2.01 -0.65 -4.97 115.64 115.20 1n62 s THR 739 Ca 0.02 1.45 -0.12 0.00 0.31 0.00 0.00 61.69 63.36 1n62 s THR 739 Cb 0.09 -3.93 0.12 0.00 0.01 0.00 0.00 72.50 68.79 1n62 s THR 739 CO 0.77 0.00 1.18 -2.84 -0.69 0.00 0.00 174.62 173.04 1n62 s PRO 740 N 2.21 1.29 0.40 4.92 0.02 -1.26 -4.95 135.00 137.62 1n62 s PRO 740 Ca 0.58 1.66 -0.25 0.00 0.02 0.00 0.00 61.00 63.01 1n62 s PRO 740 Cb -0.27 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.42 1n62 s PRO 740 CO 0.23 -2.45 1.17 0.15 -0.33 0.00 0.00 177.00 175.77 1n62 s LYS 741 N -4.40 4.07 -0.11 5.54 1.02 -1.26 -5.04 119.74 119.56 1n62 s LYS 741 Ca 0.70 1.84 0.00 0.00 0.02 0.00 0.00 55.97 58.53 1n62 s LYS 741 Cb -0.26 -2.69 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 1n62 s LYS 741 CO 0.54 -0.30 -0.11 -1.58 -0.92 0.00 0.00 175.35 172.98 1n62 s TRP 742 N -1.41 2.83 -0.23 3.18 0.52 -1.26 -4.35 118.94 118.22 1n62 s TRP 742 Ca 0.57 -0.43 -0.06 0.00 0.02 0.00 0.00 56.10 56.20 1n62 s TRP 742 Cb -0.31 -1.81 -0.02 0.00 -1.15 0.00 0.00 33.47 30.19 1n62 s TRP 742 CO 0.39 -0.05 0.02 -2.00 0.02 0.00 0.00 176.95 175.32 1n62 s GLU 743 N 0.03 3.56 0.15 4.98 2.12 -0.38 -5.04 118.70 124.12 1n62 s GLU 743 Ca -0.03 -0.53 0.10 0.00 0.36 0.00 0.00 54.97 54.86 1n62 s GLU 743 Cb -0.14 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 1n62 s GLU 743 CO 0.04 -0.14 -0.20 0.95 -0.54 0.00 0.00 175.26 175.37 1n62 s THR 744 N 1.42 2.68 0.33 -1.70 -4.23 -1.26 -0.34 115.64 112.53 1n62 s THR 744 Ca 0.05 -1.72 -0.08 0.00 -1.18 0.00 0.00 61.69 58.76 1n62 s THR 744 Cb -0.15 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.45 1n62 s THR 744 CO 0.01 0.00 0.55 -0.62 -0.54 0.00 0.00 174.62 174.03 1n62 s ASP 745 N -2.40 0.44 0.16 3.99 -1.08 0.16 -4.90 116.67 113.03 1n62 s ASP 745 Ca 0.19 -1.26 -0.19 0.00 -0.52 0.00 0.00 52.55 50.78 1n62 s ASP 745 Cb -0.09 0.69 0.04 0.00 -1.46 0.00 0.00 42.92 42.10 1n62 s ASP 745 CO 0.10 -1.35 0.50 -0.72 0.52 0.00 0.00 175.17 174.22 1n62 s TYR 746 N -3.13 -0.29 0.32 -5.34 1.13 -1.26 -1.67 117.35 107.12 1n62 s TYR 746 Ca 0.25 0.00 0.04 0.00 -1.41 0.00 0.00 57.07 55.94 1n62 s TYR 746 Cb -0.02 0.40 -0.06 0.00 -1.10 0.00 0.00 41.96 41.18 1n62 s TYR 746 CO 0.15 -0.81 0.06 0.95 -2.51 0.00 0.00 175.55 173.39 1n62 s THR 747 N -3.80 1.15 -0.21 -3.49 -4.23 -1.22 -4.93 115.64 98.92 1n62 s THR 747 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1n62 s THR 747 Cb 0.00 -2.78 0.05 0.00 1.34 0.00 0.00 72.50 71.11 1n62 s THR 747 CO -0.10 0.00 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.23 1n62 s VAL 748 N -3.31 1.38 -0.42 2.29 1.01 -1.26 -4.22 120.40 115.87 1n62 s VAL 748 Ca 0.36 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1n62 s VAL 748 Cb 0.09 -1.60 0.13 0.00 0.00 0.00 0.00 36.38 34.99 1n62 s VAL 748 CO 0.15 0.00 0.22 -0.89 0.00 0.00 0.00 175.10 174.59 1n62 s THR 749 N 1.48 1.35 0.76 3.92 2.01 -1.26 -4.94 115.64 118.96 1n62 s THR 749 Ca -0.03 -2.42 -0.15 0.00 0.31 0.00 0.00 61.69 59.40 1n62 s THR 749 Cb -0.17 -1.96 0.03 0.00 0.01 0.00 0.00 72.50 70.41 1n62 s THR 749 CO -0.07 -0.87 0.98 -2.65 -0.69 0.00 0.00 174.62 171.33 1n62 n PRO 750 N 3.70 0.38 -2.51 4.92 -0.02 -1.26 -3.46 135.00 136.75 1n62 n PRO 750 Ca 0.07 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 1n62 n PRO 750 Cb 0.35 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1n62 n PRO 750 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1n62 s SER 751 N -1.77 7.07 0.33 2.55 0.15 -0.09 -4.75 113.70 117.20 1n62 s SER 751 Ca 0.72 1.72 0.10 0.00 0.70 0.00 0.00 55.95 59.19 1n62 s SER 751 Cb -0.32 -2.55 0.59 0.00 -1.71 0.00 0.00 66.02 62.02 1n62 s SER 751 CO 0.51 -0.59 1.77 -0.65 1.20 0.00 0.00 173.24 175.48 1n62 h PRO 752 N 7.50 0.11 0.00 5.44 0.11 -1.89 -3.01 132.00 140.26 1n62 h PRO 752 Ca -0.31 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1n62 h PRO 752 Cb 1.14 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1n62 h PRO 752 CO 0.90 0.49 -0.67 -2.39 -0.21 0.00 0.00 178.00 176.11 1n62 n HIS 753 N -4.06 0.21 -2.98 0.65 1.44 -1.26 -4.89 115.22 104.33 1n62 n HIS 753 Ca -0.02 0.06 -0.38 0.00 -2.01 0.00 0.00 57.72 55.37 1n62 n HIS 753 Cb 0.44 -0.39 -0.06 0.00 0.12 0.00 0.00 29.99 30.10 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 -3.09 3.84 0.54 -1.40 5.04 -1.14 -4.95 115.29 114.13 1n62 s HIS 754 Ca 0.08 1.61 0.26 0.00 -1.54 0.00 0.00 55.06 55.46 1n62 s HIS 754 Cb 0.16 -2.76 1.42 0.00 0.04 0.00 0.00 32.58 31.44 1n62 s HIS 754 CO 0.74 0.45 2.00 -1.35 -2.34 0.00 0.00 174.74 174.24 1n62 h PRO 755 N 4.02 0.00 0.00 2.88 0.11 -1.88 -1.45 132.00 135.67 1n62 h PRO 755 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n62 h PRO 755 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1n62 h PRO 755 CO 0.66 0.00 -0.01 0.44 -0.21 0.00 0.00 178.00 178.88 1n62 n ILE 756 N -4.29 1.11 -1.02 4.15 -5.35 -1.26 -4.99 119.36 107.71 1n62 n ILE 756 Ca 0.09 -1.18 -0.01 0.00 -0.27 0.00 0.00 62.75 61.38 1n62 n ILE 756 Cb 0.57 0.38 -0.00 0.00 -1.74 0.00 0.00 39.64 38.85 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 -0.65 0.38 3.75 3.28 0.00 -0.55 -4.59 105.19 106.82 1n62 n GLY 757 Ca 0.03 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.71 3.53 0.26 4.61 0.00 -1.26 -0.92 121.76 126.27 1n62 s ALA 758 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.83 1n62 s ALA 758 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 1n62 s ALA 758 CO 0.00 0.13 0.30 0.15 0.00 0.00 0.00 175.76 176.35 1n62 s LYS 759 N 0.13 3.18 0.92 0.00 1.02 0.19 -4.48 119.74 120.70 1n62 s LYS 759 Ca 0.25 -0.92 -0.11 0.00 0.02 0.00 0.00 55.97 55.21 1n62 s LYS 759 Cb -0.16 -2.74 0.14 0.00 -0.52 0.00 0.00 37.83 34.56 1n62 s LYS 759 CO 0.11 0.37 1.11 0.20 -0.92 0.00 0.00 175.35 176.22 1n62 s GLY 760 N -3.95 1.65 0.00 -3.33 0.00 -1.26 -4.79 107.32 95.64 1n62 s GLY 760 Ca 0.35 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.37 1n62 s GLY 760 CO 0.28 0.76 0.00 1.55 0.00 0.00 0.00 173.10 175.69 1n62 n VAL 761 N -4.12 0.00 -0.09 1.40 3.14 -1.26 -4.60 118.33 112.80 1n62 n VAL 761 Ca 0.09 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.49 1n62 n VAL 761 Cb 0.53 0.16 0.34 0.00 -1.06 0.00 0.00 33.84 33.81 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 0.77 1.30 7.55 0.00 -1.93 -1.59 103.07 109.16 1n62 h GLY 762 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1n62 h GLY 762 CO 0.00 0.30 -0.69 0.83 0.00 0.00 0.00 176.54 176.98 1n62 h GLU 763 N 0.73 0.00 -0.81 4.80 5.08 -1.93 -3.39 114.58 119.06 1n62 h GLU 763 Ca 0.19 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.73 1n62 h GLU 763 Cb -0.03 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.07 1n62 h GLU 763 CO -0.04 0.00 -0.11 0.77 -1.00 0.00 0.00 179.01 178.64 1n62 h SER 764 N 0.00 -0.58 -0.57 1.42 0.02 -1.61 -1.10 113.55 111.13 1n62 h SER 764 Ca 0.00 0.23 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1n62 h SER 764 Cb 0.99 0.45 -0.03 0.00 0.14 0.00 0.00 62.40 63.94 1n62 h SER 764 CO 0.00 -0.25 0.38 1.55 -1.14 0.00 0.00 176.83 177.37 1n62 h PRO 765 N 0.03 0.74 -0.02 3.45 0.13 -1.77 0.73 132.00 135.30 1n62 h PRO 765 Ca 0.42 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.46 1n62 h PRO 765 Cb 0.71 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1n62 h PRO 765 CO -0.78 0.49 -0.18 1.25 -0.23 0.00 0.00 178.00 178.55 1n62 h HIS 766 N 0.76 0.21 -0.49 1.56 2.76 -1.30 0.15 115.15 118.81 1n62 h HIS 766 Ca 0.21 -0.10 0.09 0.00 -2.20 0.00 0.00 60.37 58.37 1n62 h HIS 766 Cb -0.07 -0.03 -0.08 0.00 1.55 0.00 0.00 27.41 28.78 1n62 h HIS 766 CO -0.00 0.84 0.05 0.28 -1.30 0.00 0.00 177.93 177.80 1n62 h VAL 767 N -0.48 0.66 0.05 5.26 2.07 -0.90 -2.30 116.25 120.62 1n62 h VAL 767 Ca -0.02 -0.06 -0.24 0.00 0.82 0.00 0.00 66.70 67.20 1n62 h VAL 767 Cb 0.88 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1n62 h VAL 767 CO 0.04 0.03 -1.15 1.23 0.02 0.00 0.00 177.57 177.74 1n62 h GLY 768 N 0.17 0.13 1.11 2.17 0.00 -0.93 -3.37 103.07 102.34 1n62 h GLY 768 Ca 0.25 -0.34 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 1n62 h GLY 768 CO -0.37 0.29 -0.38 -1.33 0.00 0.00 0.00 176.54 174.75 1n62 h GLY 769 N 2.42 0.98 0.92 4.60 0.00 -0.15 -2.79 103.07 109.05 1n62 h GLY 769 Ca -0.08 -1.02 -0.00 0.00 0.00 0.00 0.00 47.33 46.23 1n62 h GLY 769 CO 0.16 0.92 -0.02 -2.08 0.00 0.00 0.00 176.54 175.52 1n62 h VAL 770 N 0.71 1.02 -0.14 4.60 2.07 -1.62 -0.62 116.25 122.28 1n62 h VAL 770 Ca 0.06 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1n62 h VAL 770 Cb 0.98 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1n62 h VAL 770 CO 0.09 0.05 0.08 -0.65 0.02 0.00 0.00 177.57 177.16 1n62 h PRO 771 N -0.14 0.19 0.12 1.57 0.11 -1.76 0.24 132.00 132.33 1n62 h PRO 771 Ca -0.01 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1n62 h PRO 771 Cb 0.12 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1n62 h PRO 771 CO 0.01 0.14 -0.06 0.00 -0.21 0.00 0.00 178.00 177.89 1n62 h PHE 773 N -0.34 0.24 -0.31 0.00 0.04 -0.84 -0.51 116.94 115.23 1n62 h PHE 773 Ca -0.02 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 1n62 h PHE 773 Cb 0.27 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1n62 h PHE 773 CO -0.01 0.16 -0.19 1.03 -0.60 0.00 0.00 178.31 178.69 1n62 h SER 774 N 0.26 0.57 -0.19 2.17 0.87 -0.86 -1.21 113.55 115.16 1n62 h SER 774 Ca 0.07 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 1n62 h SER 774 Cb -0.03 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1n62 h SER 774 CO -0.02 0.77 -0.10 0.78 -0.53 0.00 0.00 176.83 177.74 1n62 h ASN 775 N 0.51 0.54 -0.47 6.23 2.35 -0.04 0.10 115.58 124.80 1n62 h ASN 775 Ca 0.08 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1n62 h ASN 775 Cb 0.62 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1n62 h ASN 775 CO 0.04 0.67 -0.06 0.00 -1.65 0.00 0.00 177.43 176.44 1n62 h ALA 776 N 1.38 0.64 -0.05 -0.83 0.00 -0.13 0.27 119.26 120.54 1n62 h ALA 776 Ca 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1n62 h ALA 776 Cb 0.48 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1n62 h ALA 776 CO 0.03 0.50 0.01 0.28 0.00 0.00 0.00 179.25 180.06 1n62 h VAL 777 N 0.72 1.23 -0.98 0.00 2.07 -1.02 -0.38 116.25 117.89 1n62 h VAL 777 Ca 0.13 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1n62 h VAL 777 Cb 0.59 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1n62 h VAL 777 CO 0.04 0.19 0.64 0.78 0.02 0.00 0.00 177.57 179.24 1n62 h ASN 778 N -0.17 1.09 -0.06 0.57 2.35 -0.90 -2.10 115.58 116.36 1n62 h ASN 778 Ca 0.02 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1n62 h ASN 778 Cb 0.30 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1n62 h ASN 778 CO 0.00 0.77 -0.25 -0.78 -1.65 0.00 0.00 177.43 175.52 1n62 h ASP 779 N 1.28 0.49 -0.85 5.81 3.58 -0.21 -1.99 116.42 124.53 1n62 h ASP 779 Ca 0.37 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.68 1n62 h ASP 779 Cb -0.07 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 40.80 1n62 h ASP 779 CO -0.10 0.74 0.55 0.00 -2.88 0.00 0.00 179.24 177.55 1n62 h ALA 780 N 1.30 1.10 -0.02 -0.78 0.00 -0.36 -2.29 119.26 118.21 1n62 h ALA 780 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n62 h ALA 780 Cb 0.67 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1n62 h ALA 780 CO 0.05 0.43 -0.03 0.66 0.00 0.00 0.00 179.25 180.36 1n62 n TYR 781 N -4.53 0.00 -0.04 0.00 4.01 -1.10 -4.37 117.16 111.13 1n62 n TYR 781 Ca 0.10 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.85 1n62 n TYR 781 Cb 0.05 -0.01 0.33 0.00 -0.31 0.00 0.00 39.34 39.41 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 4.33 1.51 0.00 -0.72 0.00 -0.75 -0.37 119.26 123.26 1n62 h ALA 782 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1n62 h ALA 782 Cb 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1n62 h ALA 782 CO 0.00 0.38 0.00 1.97 0.00 0.00 0.00 179.25 181.60 1n62 n PHE 783 N -4.38 0.23 0.42 0.00 -1.74 -1.26 -0.75 117.46 109.98 1n62 n PHE 783 Ca 0.03 0.09 0.10 0.00 -0.56 0.00 0.00 57.45 57.11 1n62 n PHE 783 Cb 0.13 -0.64 0.15 0.00 1.52 0.00 0.00 39.48 40.63 1n62 n PHE 783 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1n62 n LEU 784 N -1.71 2.96 -3.17 5.98 4.77 -0.17 -4.98 117.00 120.68 1n62 n LEU 784 Ca 0.03 -1.35 -0.19 0.00 -0.03 0.00 0.00 56.01 54.48 1n62 n LEU 784 Cb 0.20 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1n62 n LEU 784 CO 0.16 0.61 0.17 0.59 -1.33 0.00 0.00 177.39 177.59 1n62 n ASN 785 N 1.15 -4.43 0.27 -1.43 3.02 0.07 -4.90 115.26 109.01 1n62 n ASN 785 Ca 0.14 -0.50 0.16 0.00 -0.03 0.00 0.00 54.58 54.36 1n62 n ASN 785 Cb 0.51 -4.48 0.64 0.00 -0.61 0.00 0.00 39.78 35.83 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 0.85 1.00 -0.55 5.41 0.00 -1.76 -3.49 119.26 120.72 1n62 h ALA 786 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1n62 h ALA 786 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1n62 h ALA 786 CO 0.47 0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1n62 n GLY 787 N 0.12 -0.96 3.68 0.00 0.00 -1.26 -4.69 105.19 102.07 1n62 n GLY 787 Ca 0.01 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 2.94 -0.28 1.61 2.46 -1.26 -4.94 115.29 115.82 1n62 s HIS 788 Ca 0.00 1.01 -0.14 0.00 0.47 0.00 0.00 55.06 56.40 1n62 s HIS 788 Cb 0.00 -3.52 -0.04 0.00 -0.13 0.00 0.00 32.58 28.89 1n62 s HIS 788 CO 0.00 -1.81 0.32 0.42 -2.47 0.00 0.00 174.74 171.19 1n62 s ILE 789 N 2.79 5.21 0.31 0.89 1.01 -1.26 -5.05 121.20 125.10 1n62 s ILE 789 Ca 0.58 0.42 -0.29 0.00 0.00 0.00 0.00 60.65 61.36 1n62 s ILE 789 Cb -0.25 -3.65 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 1n62 s ILE 789 CO 0.21 0.17 1.16 -1.10 0.00 0.00 0.00 174.94 175.37 1n62 s GLN 790 N 1.97 4.49 0.84 2.79 -1.52 -1.26 -4.93 119.66 122.04 1n62 s GLN 790 Ca 0.12 1.90 -0.11 0.00 -1.95 0.00 0.00 55.36 55.32 1n62 s GLN 790 Cb -0.16 -3.08 0.10 0.00 -0.22 0.00 0.00 33.01 29.65 1n62 s GLN 790 CO 0.10 0.05 1.09 -1.64 -0.25 0.00 0.00 175.29 174.64 1n62 s MET 791 N -1.66 1.70 0.55 2.91 -1.94 -1.26 -4.57 119.30 115.03 1n62 s MET 791 Ca 0.47 1.06 -0.11 0.00 -1.71 0.00 0.00 55.69 55.40 1n62 s MET 791 Cb -0.33 -1.84 -0.05 0.00 2.01 0.00 0.00 34.83 34.61 1n62 s MET 791 CO 0.43 -2.00 0.96 -1.25 -0.01 0.00 0.00 175.02 173.15 1n62 s PRO 792 N -4.89 3.68 -0.91 2.03 0.04 -1.26 -4.74 135.00 128.96 1n62 s PRO 792 Ca 0.63 0.68 -0.02 0.00 0.04 0.00 0.00 61.00 62.33 1n62 s PRO 792 Cb -0.18 -2.17 0.30 0.00 0.04 0.00 0.00 34.50 32.49 1n62 s PRO 792 CO 0.57 -0.40 2.05 0.72 0.04 0.00 0.00 177.00 179.99 1n62 n HIS 793 N -2.28 2.74 -2.03 0.56 8.25 0.91 -4.82 115.22 118.56 1n62 n HIS 793 Ca 0.05 -2.40 -0.29 0.00 -0.26 0.00 0.00 57.72 54.82 1n62 n HIS 793 Cb 0.54 -1.26 0.15 0.00 1.12 0.00 0.00 29.99 30.55 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 -0.94 3.63 0.17 0.41 -4.77 -0.98 -4.74 116.67 109.45 1n62 s ASP 794 Ca 0.48 0.28 -0.08 0.00 -3.30 0.00 0.00 52.55 49.94 1n62 s ASP 794 Cb 0.33 -0.49 0.05 0.00 -1.09 0.00 0.00 42.92 41.72 1n62 s ASP 794 CO -0.27 -2.40 1.53 0.00 0.70 0.00 0.00 175.17 174.72 1n62 h ALA 795 N -1.33 0.69 -0.58 2.11 0.00 -1.85 -0.71 119.26 117.59 1n62 h ALA 795 Ca -0.44 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 53.94 1n62 h ALA 795 Cb 1.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1n62 h ALA 795 CO 0.44 0.67 -0.05 0.11 0.00 0.00 0.00 179.25 180.43 1n62 h TRP 796 N 0.70 1.15 -0.51 0.00 5.08 -1.86 0.34 115.95 120.85 1n62 h TRP 796 Ca 0.07 -0.21 -0.11 0.00 1.08 0.00 0.00 58.89 59.71 1n62 h TRP 796 Cb 0.91 -0.29 -0.02 0.00 -3.00 0.00 0.00 29.16 26.76 1n62 h TRP 796 CO 0.05 1.03 -0.12 0.00 -1.28 0.00 0.00 178.44 178.12 1n62 h ARG 797 N 0.94 0.97 -0.03 0.12 3.08 -1.80 -0.52 114.38 117.14 1n62 h ARG 797 Ca 0.16 -0.36 -0.16 0.00 0.07 0.00 0.00 59.98 59.69 1n62 h ARG 797 Cb 0.61 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1n62 h ARG 797 CO 0.04 1.03 -0.69 -0.07 -1.07 0.00 0.00 179.97 179.21 1n62 h LEU 798 N 0.86 0.19 -0.58 3.04 3.38 -0.74 -1.65 115.31 119.81 1n62 h LEU 798 Ca 0.13 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1n62 h LEU 798 Cb 0.68 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1n62 h LEU 798 CO 0.05 0.82 0.32 -0.25 0.09 0.00 0.00 178.44 179.47 1n62 h TRP 799 N 0.11 0.60 -0.84 1.13 7.01 -0.10 -1.90 115.95 121.95 1n62 h TRP 799 Ca -0.02 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.01 1n62 h TRP 799 Cb 1.22 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 28.06 1n62 h TRP 799 CO 0.02 0.31 0.53 0.87 -2.79 0.00 0.00 178.44 177.37 1n62 h LYS 800 N 0.62 1.13 0.07 2.65 1.79 -0.69 0.28 116.57 122.42 1n62 h LYS 800 Ca 0.25 -0.09 0.02 0.00 -2.18 0.00 0.00 60.65 58.65 1n62 h LYS 800 Cb 0.12 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 1n62 h LYS 800 CO -0.15 0.78 -0.16 0.28 -1.08 0.00 0.00 179.45 179.12 1n62 h VAL 801 N 1.16 0.63 -0.20 0.50 2.07 -0.83 -0.24 116.25 119.34 1n62 h VAL 801 Ca 0.31 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.74 1n62 h VAL 801 Cb -0.08 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1n62 h VAL 801 CO -0.06 0.00 -0.27 1.23 0.02 0.00 0.00 177.57 178.49 1n62 h GLY 802 N -0.30 0.40 0.99 2.17 0.00 -0.62 -1.65 103.07 104.07 1n62 h GLY 802 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1n62 h GLY 802 CO -0.10 0.30 0.14 -2.09 0.00 0.00 0.00 176.54 174.79 1n62 h GLU 803 N 0.33 0.29 0.00 4.80 4.57 -0.06 -0.54 114.58 123.96 1n62 h GLU 803 Ca 0.05 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1n62 h GLU 803 Cb 0.65 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1n62 h GLU 803 CO 0.05 0.20 0.00 1.04 -1.18 0.00 0.00 179.01 179.12 1n62 n GLN 804 N -4.93 0.10 -0.10 1.92 6.02 -0.14 -1.37 117.38 118.88 1n62 n GLN 804 Ca -0.03 0.24 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 1n62 n GLN 804 Cb 0.03 -1.66 0.25 0.00 1.02 0.00 0.00 30.24 29.88 1n62 n GLN 804 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1n62 n LEU 805 N -1.85 2.79 -0.30 1.08 4.77 -0.65 -4.93 117.00 117.91 1n62 n LEU 805 Ca 0.04 -1.11 -0.04 0.00 -0.03 0.00 0.00 56.01 54.88 1n62 n LEU 805 Cb 0.27 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1n62 n LEU 805 CO 0.21 0.55 -0.04 0.61 -1.33 0.00 0.00 177.39 177.40 1n62 n GLY 806 N 1.36 0.58 0.09 -0.72 0.00 -0.47 -4.93 105.19 101.10 1n62 n GLY 806 Ca 0.17 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.44 1n62 n GLY 806 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n62 n LEU 807 N -0.43 0.60 -0.57 0.99 4.77 -0.30 -3.59 117.00 118.47 1n62 n LEU 807 Ca -0.04 0.59 0.10 0.00 -0.03 0.00 0.00 56.01 56.63 1n62 n LEU 807 Cb 0.19 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1n62 n LEU 807 CO 0.05 -0.27 0.38 1.41 -1.33 0.00 0.00 177.39 177.63 1n62 n HIS 808 N -2.10 0.00 -0.47 -1.77 8.25 -1.26 -5.00 115.22 112.88 1n62 n HIS 808 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1n62 n HIS 808 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1n62 n HIS 808 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31