#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr3 h PRO -1 N 0.00 0.00 -0.03 1.61 0.13 -2.12 -3.07 132.00 128.52 3mr3 h PRO -1 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3mr3 h PRO -1 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3mr3 h PRO -1 CO 0.00 0.05 0.00 0.72 -0.23 0.00 0.00 178.00 178.54 3mr3 n HIS 0 N -3.28 0.04 -3.00 1.56 8.25 -1.26 -4.97 115.22 112.56 3mr3 n HIS 0 Ca -0.01 -0.30 -0.42 0.00 -0.26 0.00 0.00 57.72 56.73 3mr3 n HIS 0 Cb 0.22 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.25 3mr3 n HIS 0 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3mr3 s MET 1 N -0.66 3.68 0.42 -0.41 0.00 -1.16 -5.02 119.30 116.15 3mr3 s MET 1 Ca 0.03 0.17 -0.26 0.00 0.00 0.00 0.00 55.69 55.64 3mr3 s MET 1 Cb 0.02 -3.83 -0.09 0.00 0.00 0.00 0.00 34.83 30.93 3mr3 s MET 1 CO 0.02 -0.86 1.35 0.00 0.00 0.00 0.00 175.02 175.54 3mr3 s ALA 2 N 3.02 3.27 -1.12 4.11 0.00 -1.26 -4.95 121.76 124.82 3mr3 s ALA 2 Ca 0.29 1.32 0.10 0.00 0.00 0.00 0.00 51.96 53.68 3mr3 s ALA 2 Cb -0.13 -3.53 0.17 0.00 0.00 0.00 0.00 23.12 19.63 3mr3 s ALA 2 CO 0.17 -0.95 1.01 0.25 0.00 0.00 0.00 175.76 176.24 3mr3 n THR 3 N 0.06 0.43 -2.99 0.00 -2.24 -1.26 -4.99 114.28 103.28 3mr3 n THR 3 Ca 0.04 -0.71 -0.21 0.00 -2.27 0.00 0.00 64.05 60.90 3mr3 n THR 3 Cb 0.43 0.91 0.04 0.00 -2.10 0.00 0.00 70.33 69.61 3mr3 n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr3 n GLY 4 N 0.53 -0.43 0.58 3.38 0.00 -1.26 -4.81 105.19 103.18 3mr3 n GLY 4 Ca 0.08 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.25 3mr3 n GLY 4 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mr3 n GLN 5 N -3.85 2.60 0.17 1.61 6.02 -1.26 -4.72 117.38 117.95 3mr3 n GLN 5 Ca -0.10 -2.48 0.02 0.00 -0.01 0.00 0.00 57.00 54.43 3mr3 n GLN 5 Cb 0.61 -1.57 0.28 0.00 1.02 0.00 0.00 30.24 30.59 3mr3 n GLN 5 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 3mr3 h ASP 6 N 1.31 0.00 -2.35 1.08 -0.00 -1.90 -3.46 116.42 111.10 3mr3 h ASP 6 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 57.03 56.45 3mr3 h ASP 6 Cb 1.11 0.00 -0.14 0.00 -0.00 0.00 0.00 39.33 40.30 3mr3 h ASP 6 CO 0.11 0.47 -0.73 -0.13 -0.00 0.00 0.00 179.24 178.96 3mr3 s ARG 7 N -3.77 1.65 -0.23 4.15 0.52 -1.26 -5.02 118.95 115.00 3mr3 s ARG 7 Ca -0.01 -1.79 0.01 0.00 -0.52 0.00 0.00 55.73 53.42 3mr3 s ARG 7 Cb 0.13 -1.60 0.04 0.00 0.52 0.00 0.00 34.95 34.03 3mr3 s ARG 7 CO 0.72 0.23 -0.12 0.08 0.02 0.00 0.00 175.30 176.24 3mr3 s VAL 8 N -2.65 2.39 -0.02 3.52 1.01 -1.26 -4.29 120.40 119.11 3mr3 s VAL 8 Ca 0.29 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 61.13 3mr3 s VAL 8 Cb -0.02 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 3mr3 s VAL 8 CO 0.14 0.23 -0.19 -0.69 0.00 0.00 0.00 175.10 174.59 3mr3 s VAL 9 N 1.24 1.51 0.08 2.92 1.01 0.25 -0.27 120.40 127.14 3mr3 s VAL 9 Ca -0.01 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.22 3mr3 s VAL 9 Cb -0.17 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3mr3 s VAL 9 CO -0.07 0.43 -0.17 0.00 0.00 0.00 0.00 175.10 175.28 3mr3 s ALA 10 N -0.41 1.46 -0.17 5.51 0.00 -0.01 -1.46 121.76 126.68 3mr3 s ALA 10 Ca 0.07 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3mr3 s ALA 10 Cb -0.08 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3mr3 s ALA 10 CO -0.01 0.26 -0.20 -1.17 0.00 0.00 0.00 175.76 174.64 3mr3 s LEU 11 N -1.79 2.13 -0.18 0.00 0.20 -0.53 0.31 118.68 118.82 3mr3 s LEU 11 Ca 0.02 -0.63 -0.03 0.00 0.69 0.00 0.00 54.13 54.17 3mr3 s LEU 11 Cb -0.10 -1.47 -0.02 0.00 -0.43 0.00 0.00 46.19 44.17 3mr3 s LEU 11 CO 0.03 0.02 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.36 3mr3 s VAL 12 N 1.16 3.49 -0.08 1.68 1.01 -0.69 -1.02 120.40 125.96 3mr3 s VAL 12 Ca 0.02 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3mr3 s VAL 12 Cb -0.14 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.71 3mr3 s VAL 12 CO -0.10 0.47 -0.11 -0.62 0.00 0.00 0.00 175.10 174.73 3mr3 s ASP 13 N 0.85 1.91 0.46 3.32 -1.08 -0.56 -2.09 116.67 119.49 3mr3 s ASP 13 Ca -0.02 -0.31 -0.24 0.00 -0.52 0.00 0.00 52.55 51.47 3mr3 s ASP 13 Cb -0.15 -0.85 -0.07 0.00 -1.46 0.00 0.00 42.92 40.39 3mr3 s ASP 13 CO 0.01 -0.01 1.29 -0.04 0.52 0.00 0.00 175.17 176.94 3mr3 s MET 14 N 0.94 3.66 0.09 4.34 -1.94 -0.64 -1.50 119.30 124.25 3mr3 s MET 14 Ca -0.09 2.09 -0.29 0.00 -1.71 0.00 0.00 55.69 55.68 3mr3 s MET 14 Cb -0.15 -2.52 -0.05 0.00 2.01 0.00 0.00 34.83 34.12 3mr3 s MET 14 CO 0.00 -0.72 0.94 -0.51 -0.01 0.00 0.00 175.02 174.73 3mr3 s ASP 15 N -0.95 7.45 -0.23 3.03 1.01 -0.93 -4.18 116.67 121.86 3mr3 s ASP 15 Ca 0.63 1.74 -0.05 0.00 0.71 0.00 0.00 52.55 55.58 3mr3 s ASP 15 Cb -0.36 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.00 3mr3 s ASP 15 CO 0.45 -0.08 0.14 0.00 0.21 0.00 0.00 175.17 175.89 3mr3 h PHE 17 N 1.43 -1.05 -0.60 0.00 3.57 -1.94 -0.86 116.94 117.48 3mr3 h PHE 17 Ca -0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3mr3 h PHE 17 Cb 0.31 0.44 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 3mr3 h PHE 17 CO 0.07 -0.49 0.39 0.74 -2.23 0.00 0.00 178.31 176.79 3mr3 h PHE 18 N -0.64 0.76 -0.29 0.41 -1.00 -1.95 -1.66 116.94 112.57 3mr3 h PHE 18 Ca 0.02 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 3mr3 h PHE 18 Cb 0.65 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 3mr3 h PHE 18 CO -0.31 0.49 0.11 0.28 -1.61 0.00 0.00 178.31 177.27 3mr3 h VAL 19 N 0.82 1.18 -0.47 -0.55 2.07 -1.70 -2.35 116.25 115.24 3mr3 h VAL 19 Ca 0.22 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3mr3 h VAL 19 Cb -0.08 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3mr3 h VAL 19 CO -0.05 0.19 0.18 1.56 0.02 0.00 0.00 177.57 179.47 3mr3 h GLN 20 N 0.32 0.67 -0.44 1.57 4.20 -0.52 0.16 115.11 121.08 3mr3 h GLN 20 Ca 0.10 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3mr3 h GLN 20 Cb 0.19 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3mr3 h GLN 20 CO -0.01 0.56 0.21 0.28 -0.67 0.00 0.00 178.83 179.20 3mr3 h VAL 21 N 0.67 1.18 -0.07 -0.54 2.07 -1.09 -0.79 116.25 117.67 3mr3 h VAL 21 Ca 0.16 -0.51 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 3mr3 h VAL 21 Cb 0.14 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3mr3 h VAL 21 CO -0.02 0.20 -0.49 -0.33 0.02 0.00 0.00 177.57 176.96 3mr3 h GLU 22 N 0.56 0.19 -0.02 1.57 4.39 -0.90 -2.86 114.58 117.51 3mr3 h GLU 22 Ca 0.15 -0.10 -0.18 0.00 0.34 0.00 0.00 59.36 59.57 3mr3 h GLU 22 Cb 0.12 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3mr3 h GLU 22 CO -0.02 0.63 -0.78 1.96 -1.16 0.00 0.00 179.01 179.64 3mr3 h GLN 23 N 0.15 0.20 -0.66 2.33 4.20 -0.39 0.18 115.11 121.12 3mr3 h GLN 23 Ca 0.01 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 3mr3 h GLN 23 Cb 0.92 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 3mr3 h GLN 23 CO 0.07 0.88 0.23 -0.09 -0.67 0.00 0.00 178.83 179.26 3mr3 h ARG 24 N 0.12 1.01 -0.25 1.46 2.43 -1.11 -3.12 114.38 114.93 3mr3 h ARG 24 Ca -0.03 -0.20 -0.20 0.00 -0.81 0.00 0.00 59.98 58.74 3mr3 h ARG 24 Cb 1.37 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3mr3 h ARG 24 CO 0.12 0.87 -0.62 0.37 -1.51 0.00 0.00 179.97 179.20 3mr3 h GLN 25 N 0.95 0.86 -3.77 0.20 4.15 -1.31 -3.39 115.11 112.80 3mr3 h GLN 25 Ca 0.22 -0.59 -0.65 0.00 0.77 0.00 0.00 58.65 58.39 3mr3 h GLN 25 Cb 0.26 0.09 -0.40 0.00 0.21 0.00 0.00 27.48 27.64 3mr3 h GLN 25 CO -0.01 1.22 -0.62 1.21 -1.93 0.00 0.00 178.83 178.70 3mr3 s ASN 26 N -7.00 4.58 0.58 -0.69 3.84 0.03 -4.98 114.94 111.30 3mr3 s ASN 26 Ca -0.11 -2.75 0.29 0.00 0.21 0.00 0.00 52.86 50.51 3mr3 s ASN 26 Cb 0.10 -1.67 1.46 0.00 -0.55 0.00 0.00 41.25 40.59 3mr3 s ASN 26 CO 0.90 -0.30 1.88 -0.65 -2.79 0.00 0.00 177.10 176.14 3mr3 h PRO 27 N 6.90 0.00 0.00 0.43 0.11 -1.76 0.45 132.00 138.13 3mr3 h PRO 27 Ca -0.06 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 3mr3 h PRO 27 Cb 0.94 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3mr3 h PRO 27 CO 0.65 0.00 -0.00 0.45 -0.21 0.00 0.00 178.00 178.89 3mr3 h HIS 28 N 0.00 0.00 0.00 0.65 3.86 -1.94 -2.22 115.15 115.50 3mr3 h HIS 28 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3mr3 h HIS 28 Cb 1.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.77 3mr3 h HIS 28 CO 0.00 0.00 -0.60 1.28 0.86 0.00 0.00 177.93 179.47 3mr3 n LEU 29 N -3.57 0.59 -4.77 2.43 4.77 0.15 -4.93 117.00 111.67 3mr3 n LEU 29 Ca -0.03 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 3mr3 n LEU 29 Cb 0.08 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 3mr3 n LEU 29 CO 0.25 0.03 1.04 -0.13 -1.33 0.00 0.00 177.39 177.24 3mr3 s ARG 30 N -3.10 4.28 -1.52 3.23 0.52 -0.84 -3.19 118.95 118.34 3mr3 s ARG 30 Ca 0.08 2.32 -0.06 0.00 -0.52 0.00 0.00 55.73 57.55 3mr3 s ARG 30 Cb 0.15 -3.05 0.01 0.00 0.52 0.00 0.00 34.95 32.58 3mr3 s ARG 30 CO 0.71 -0.31 0.71 0.09 0.02 0.00 0.00 175.30 176.53 3mr3 n ASN 31 N 0.94 -6.07 -4.25 0.23 4.13 -1.26 -4.99 115.26 103.99 3mr3 n ASN 31 Ca 0.01 -0.34 -0.14 0.00 1.68 0.00 0.00 54.58 55.79 3mr3 n ASN 31 Cb 0.41 -4.89 -0.10 0.00 -1.54 0.00 0.00 39.78 33.66 3mr3 n ASN 31 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3mr3 s LYS 32 N -5.84 1.08 -0.28 3.52 -0.14 -1.19 -5.07 119.74 111.81 3mr3 s LYS 32 Ca 0.36 -1.49 -0.29 0.00 -1.36 0.00 0.00 55.97 53.19 3mr3 s LYS 32 Cb -0.16 -0.45 -0.00 0.00 -1.68 0.00 0.00 37.83 35.53 3mr3 s LYS 32 CO 0.45 -0.03 1.35 -1.25 -0.76 0.00 0.00 175.35 175.12 3mr3 s PRO 33 N -3.83 3.91 0.13 -1.68 0.04 -1.26 -4.63 135.00 127.67 3mr3 s PRO 33 Ca 0.20 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 3mr3 s PRO 33 Cb 0.04 -3.90 0.01 0.00 0.04 0.00 0.00 34.50 30.70 3mr3 s PRO 33 CO 0.02 -1.14 0.32 0.00 0.04 0.00 0.00 177.00 176.24 3mr3 s ALA 35 N -3.86 -0.19 -0.16 0.00 0.00 0.05 -0.70 121.76 116.89 3mr3 s ALA 35 Ca 0.07 -0.51 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 3mr3 s ALA 35 Cb 0.03 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 3mr3 s ALA 35 CO -0.08 -0.40 0.08 0.08 0.00 0.00 0.00 175.76 175.43 3mr3 s VAL 36 N -3.11 4.95 0.17 0.00 1.01 0.18 -1.45 120.40 122.15 3mr3 s VAL 36 Ca -0.01 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.07 3mr3 s VAL 36 Cb 0.02 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3mr3 s VAL 36 CO -0.07 0.51 -0.17 0.54 0.00 0.00 0.00 175.10 175.91 3mr3 s VAL 37 N -0.05 1.75 -0.09 2.92 0.11 -0.28 -0.68 120.40 124.08 3mr3 s VAL 37 Ca 0.07 -1.98 0.02 0.00 -2.93 0.00 0.00 61.98 57.16 3mr3 s VAL 37 Cb -0.12 -1.87 0.01 0.00 -1.53 0.00 0.00 36.38 32.88 3mr3 s VAL 37 CO 0.01 -0.40 -0.14 0.00 -3.33 0.00 0.00 175.10 171.23 3mr3 s GLN 38 N -3.01 2.06 0.11 1.54 -2.07 -0.56 -0.85 119.66 116.87 3mr3 s GLN 38 Ca 0.17 -0.51 0.00 0.00 -1.82 0.00 0.00 55.36 53.20 3mr3 s GLN 38 Cb -0.04 -1.73 0.00 0.00 -1.09 0.00 0.00 33.01 30.15 3mr3 s GLN 38 CO 0.06 -0.02 0.00 0.66 -1.32 0.00 0.00 175.29 174.67 3mr3 n TYR 39 N 4.06 -0.70 0.00 9.60 4.01 -1.26 -2.24 117.16 130.62 3mr3 n TYR 39 Ca -0.20 0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 3mr3 n TYR 39 Cb 0.51 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 3mr3 n TYR 39 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3mr3 n LYS 40 N -2.17 2.33 -0.19 -0.72 4.76 -1.26 -3.57 118.16 117.33 3mr3 n LYS 40 Ca -0.01 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.36 3mr3 n LYS 40 Cb 0.11 -0.79 0.03 0.00 -1.84 0.00 0.00 35.03 32.54 3mr3 n LYS 40 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3mr3 h SER 41 N 0.00 0.66 -3.57 4.39 4.64 -1.94 -2.73 113.55 115.01 3mr3 h SER 41 Ca 0.00 -0.05 -0.64 0.00 -0.47 0.00 0.00 61.79 60.63 3mr3 h SER 41 Cb 0.51 -0.17 -0.14 0.00 -0.31 0.00 0.00 62.40 62.29 3mr3 h SER 41 CO 0.00 0.52 0.23 0.86 -0.87 0.00 0.00 176.83 177.57 3mr3 s TRP 42 N -6.02 3.02 -1.20 4.77 -0.11 -1.26 -4.38 118.94 113.77 3mr3 s TRP 42 Ca -0.13 0.00 -0.01 0.00 1.22 0.00 0.00 56.10 57.18 3mr3 s TRP 42 Cb 0.13 -3.52 0.01 0.00 -1.50 0.00 0.00 33.47 28.59 3mr3 s TRP 42 CO 0.76 -0.95 0.09 1.63 -4.62 0.00 0.00 176.95 173.86 3mr3 n LYS 43 N 6.49 -2.47 -0.51 5.86 5.02 -1.26 -1.08 118.16 130.22 3mr3 n LYS 43 Ca -0.00 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 3mr3 n LYS 43 Cb 0.48 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 30.20 3mr3 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mr3 n GLY 44 N -0.92 1.27 0.00 0.72 0.00 -1.03 -0.92 105.19 104.31 3mr3 n GLY 44 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3mr3 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr3 n GLY 45 N -2.00 2.36 3.73 -0.02 0.00 -0.24 -4.50 105.19 104.52 3mr3 n GLY 45 Ca 0.00 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 3mr3 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mr3 s GLY 46 N 0.00 2.40 0.09 -0.02 0.00 -0.95 -0.11 107.32 108.73 3mr3 s GLY 46 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 44.72 44.24 3mr3 s GLY 46 CO 0.00 0.76 1.10 -0.42 0.00 0.00 0.00 173.10 174.54 3mr3 s ILE 47 N 0.56 4.20 0.00 0.90 1.01 0.04 -1.49 121.20 126.42 3mr3 s ILE 47 Ca 0.26 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.61 3mr3 s ILE 47 Cb -0.15 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3mr3 s ILE 47 CO 0.11 0.20 0.00 2.30 0.00 0.00 0.00 174.94 177.54 3mr3 n ILE 48 N 3.31 0.00 -3.71 2.92 -5.35 0.15 -2.27 119.36 114.40 3mr3 n ILE 48 Ca 0.06 -0.41 -0.13 0.00 -0.27 0.00 0.00 62.75 62.00 3mr3 n ILE 48 Cb 0.48 0.93 -0.09 0.00 -1.74 0.00 0.00 39.64 39.21 3mr3 n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mr3 s ALA 49 N -1.07 -1.13 -0.03 -1.28 0.00 -1.19 -4.90 121.76 112.15 3mr3 s ALA 49 Ca 0.00 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.21 3mr3 s ALA 49 Cb 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.45 3mr3 s ALA 49 CO 0.00 -0.22 -0.02 0.08 0.00 0.00 0.00 175.76 175.60 3mr3 s VAL 50 N 0.13 0.34 0.72 0.00 1.01 -1.26 -0.65 120.40 120.69 3mr3 s VAL 50 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 3mr3 s VAL 50 Cb -0.03 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 35.98 3mr3 s VAL 50 CO 0.01 0.18 1.14 -0.94 0.00 0.00 0.00 175.10 175.49 3mr3 s SER 51 N 0.92 4.54 0.44 3.32 1.04 0.12 -4.75 113.70 119.34 3mr3 s SER 51 Ca -0.11 2.09 0.14 0.00 0.48 0.00 0.00 55.95 58.55 3mr3 s SER 51 Cb -0.14 -2.56 0.98 0.00 0.10 0.00 0.00 66.02 64.41 3mr3 s SER 51 CO -0.01 -2.02 1.99 1.88 0.98 0.00 0.00 173.24 176.07 3mr3 h TYR 52 N -0.43 0.03 -0.58 5.02 -1.99 -1.90 -1.42 116.97 115.70 3mr3 h TYR 52 Ca -0.46 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.22 3mr3 h TYR 52 Cb 1.26 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.95 3mr3 h TYR 52 CO 0.53 0.20 0.16 0.93 -0.00 0.00 0.00 178.16 179.97 3mr3 h GLU 53 N 0.03 0.89 0.00 4.88 3.07 -1.91 -2.71 114.58 118.83 3mr3 h GLU 53 Ca 0.00 -0.18 -0.17 0.00 -0.50 0.00 0.00 59.36 58.52 3mr3 h GLU 53 Cb 0.32 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3mr3 h GLU 53 CO 0.02 0.79 -0.79 0.00 -1.40 0.00 0.00 179.01 177.63 3mr3 h ALA 54 N 1.31 0.65 0.00 3.43 0.00 -1.56 -3.14 119.26 119.95 3mr3 h ALA 54 Ca 0.19 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 3mr3 h ALA 54 Cb 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3mr3 h ALA 54 CO -0.00 0.99 -0.15 0.00 0.00 0.00 0.00 179.25 180.08 3mr3 h ARG 55 N 0.00 0.00 0.00 0.00 3.08 -0.98 -1.81 114.38 114.67 3mr3 h ARG 55 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3mr3 h ARG 55 Cb 1.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.48 3mr3 h ARG 55 CO 0.10 0.15 -0.04 0.00 -1.07 0.00 0.00 179.97 179.11 3mr3 h ALA 56 N 1.85 1.20 -0.01 0.04 0.00 -1.46 -0.94 119.26 119.93 3mr3 h ALA 56 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3mr3 h ALA 56 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3mr3 h ALA 56 CO 0.02 0.05 -0.22 1.19 0.00 0.00 0.00 179.25 180.29 3mr3 n PHE 57 N -3.42 0.00 -0.20 0.00 3.72 -0.69 -4.94 117.46 111.93 3mr3 n PHE 57 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3mr3 n PHE 57 Cb 0.17 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 3mr3 n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mr3 n GLY 58 N 1.32 0.85 3.73 1.37 0.00 -0.36 -4.74 105.19 107.37 3mr3 n GLY 58 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3mr3 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mr3 s VAL 59 N -2.07 3.56 0.16 1.61 1.01 -1.14 -5.01 120.40 118.51 3mr3 s VAL 59 Ca 0.00 1.25 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 3mr3 s VAL 59 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3mr3 s VAL 59 CO 0.00 0.17 0.08 0.42 0.00 0.00 0.00 175.10 175.77 3mr3 s THR 60 N 0.29 0.10 0.70 3.92 -4.23 -1.26 -4.35 115.64 110.81 3mr3 s THR 60 Ca 0.56 -1.94 -0.14 0.00 -1.18 0.00 0.00 61.69 58.98 3mr3 s THR 60 Cb -0.33 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.33 3mr3 s THR 60 CO 0.35 -0.31 1.14 -0.60 -0.54 0.00 0.00 174.62 174.65 3mr3 s ARG 61 N -4.08 2.48 -1.08 3.99 3.52 -1.26 -3.41 118.95 119.12 3mr3 s ARG 61 Ca 0.29 1.48 -0.02 0.00 -0.13 0.00 0.00 55.73 57.36 3mr3 s ARG 61 Cb 0.07 -1.90 0.00 0.00 -1.56 0.00 0.00 34.95 31.56 3mr3 s ARG 61 CO 0.05 -1.52 0.23 0.45 -0.81 0.00 0.00 175.30 173.71 3mr3 n SER 62 N -2.68 -4.39 -4.07 -2.12 2.88 -0.96 -5.00 113.62 97.28 3mr3 n SER 62 Ca 0.11 -0.11 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 3mr3 n SER 62 Cb 0.52 -3.39 -0.16 0.00 -0.75 0.00 0.00 64.21 60.43 3mr3 n SER 62 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 3mr3 s MET 63 N -5.03 1.30 0.39 -1.46 0.00 -1.22 -4.99 119.30 108.29 3mr3 s MET 63 Ca 0.11 -0.45 -0.25 0.00 0.00 0.00 0.00 55.69 55.10 3mr3 s MET 63 Cb -0.05 -1.18 -0.09 0.00 0.00 0.00 0.00 34.83 33.51 3mr3 s MET 63 CO 0.14 0.20 1.14 -1.58 0.00 0.00 0.00 175.02 174.92 3mr3 s TRP 64 N 0.04 3.16 0.31 4.11 0.52 -1.26 -0.78 118.94 125.05 3mr3 s TRP 64 Ca -0.02 1.59 -0.01 0.00 0.02 0.00 0.00 56.10 57.68 3mr3 s TRP 64 Cb -0.09 -3.33 0.50 0.00 -1.15 0.00 0.00 33.47 29.40 3mr3 s TRP 64 CO 0.01 -1.10 1.98 0.00 0.02 0.00 0.00 176.95 177.85 3mr3 h ALA 65 N 2.74 1.44 -0.90 0.98 0.00 -0.44 -1.23 119.26 121.85 3mr3 h ALA 65 Ca -0.48 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.41 3mr3 h ALA 65 Cb 1.23 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3mr3 h ALA 65 CO 0.63 0.51 0.59 -0.44 0.00 0.00 0.00 179.25 180.54 3mr3 h ASP 66 N 1.03 0.95 -0.17 0.00 3.32 -1.30 -0.95 116.42 119.29 3mr3 h ASP 66 Ca 0.28 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 57.10 3mr3 h ASP 66 Cb -0.10 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.24 3mr3 h ASP 66 CO -0.06 0.64 -0.73 0.44 -1.72 0.00 0.00 179.24 177.81 3mr3 h ASP 67 N 1.09 0.95 -0.89 6.45 3.32 -1.59 -3.16 116.42 122.59 3mr3 h ASP 67 Ca 0.37 -0.60 0.01 0.00 0.02 0.00 0.00 57.03 56.83 3mr3 h ASP 67 Cb 0.07 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 3mr3 h ASP 67 CO -0.12 1.40 0.59 0.00 -1.72 0.00 0.00 179.24 179.39 3mr3 h ALA 68 N 0.59 1.37 0.00 3.45 0.00 -0.71 -1.63 119.26 122.33 3mr3 h ALA 68 Ca -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3mr3 h ALA 68 Cb 1.36 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3mr3 h ALA 68 CO 0.15 0.59 -0.08 0.87 0.00 0.00 0.00 179.25 180.78 3mr3 h LYS 69 N 1.20 0.00 -0.16 0.00 1.79 -1.16 0.44 116.57 118.68 3mr3 h LYS 69 Ca 0.33 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.67 3mr3 h LYS 69 Cb -0.14 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 3mr3 h LYS 69 CO -0.07 0.08 -0.46 0.87 -1.08 0.00 0.00 179.45 178.78 3mr3 h LYS 70 N 0.00 0.40 0.12 3.15 1.57 -1.28 -2.04 116.57 118.48 3mr3 h LYS 70 Ca -0.00 -0.22 -0.27 0.00 -1.87 0.00 0.00 60.65 58.29 3mr3 h LYS 70 Cb 0.19 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.51 3mr3 h LYS 70 CO 0.01 0.78 -1.21 -0.07 -0.57 0.00 0.00 179.45 178.39 3mr3 h LEU 71 N 0.32 0.48 -6.55 2.94 3.38 -1.25 -3.41 115.31 111.22 3mr3 h LEU 71 Ca 0.02 -0.49 -0.58 0.00 0.09 0.00 0.00 57.88 56.92 3mr3 h LEU 71 Cb 0.94 -0.15 -0.39 0.00 0.09 0.00 0.00 40.66 41.15 3mr3 h LEU 71 CO 0.08 1.36 -0.88 0.00 0.09 0.00 0.00 178.44 179.10 3mr3 h PRO 73 N 6.62 0.11 -0.55 0.00 0.11 -1.62 -1.75 132.00 134.92 3mr3 h PRO 73 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3mr3 h PRO 73 Cb 0.95 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3mr3 h PRO 73 CO 0.30 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 177.92 3mr3 n ASP 74 N -4.44 3.01 -4.69 -2.05 10.43 -1.26 -4.95 116.55 112.59 3mr3 n ASP 74 Ca 0.06 -2.11 -0.45 0.00 2.57 0.00 0.00 54.79 54.87 3mr3 n ASP 74 Cb 0.41 -0.39 -0.04 0.00 1.84 0.00 0.00 41.12 42.94 3mr3 n ASP 74 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3mr3 n LEU 75 N 0.90 3.45 -4.88 0.64 7.94 -0.66 -4.82 117.00 119.58 3mr3 n LEU 75 Ca 0.17 1.07 -0.34 0.00 -1.11 0.00 0.00 56.01 55.80 3mr3 n LEU 75 Cb 0.51 -1.48 -0.05 0.00 0.53 0.00 0.00 43.42 42.93 3mr3 n LEU 75 CO 0.14 -0.10 0.01 -0.76 -1.11 0.00 0.00 177.39 175.57 3mr3 s LEU 76 N 1.24 4.35 0.01 -1.96 1.43 0.21 -4.97 118.68 118.98 3mr3 s LEU 76 Ca 0.78 0.66 0.05 0.00 -1.03 0.00 0.00 54.13 54.60 3mr3 s LEU 76 Cb -0.61 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 3mr3 s LEU 76 CO 0.37 0.19 -0.16 -0.76 0.23 0.00 0.00 176.35 176.22 3mr3 s LEU 77 N -1.95 2.07 -0.04 1.79 1.43 -1.26 -0.77 118.68 119.95 3mr3 s LEU 77 Ca 0.32 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 3mr3 s LEU 77 Cb -0.13 -0.77 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 3mr3 s LEU 77 CO 0.18 0.15 -0.25 0.00 0.23 0.00 0.00 176.35 176.67 3mr3 s ALA 78 N -0.51 2.10 -0.12 4.21 0.00 -0.53 -4.96 121.76 121.95 3mr3 s ALA 78 Ca 0.05 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 3mr3 s ALA 78 Cb -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3mr3 s ALA 78 CO 0.00 0.44 0.17 -0.65 0.00 0.00 0.00 175.76 175.72 3mr3 s GLN 79 N -0.31 3.59 0.34 0.00 -0.21 -1.26 -1.13 119.66 120.68 3mr3 s GLN 79 Ca 0.01 -0.08 -0.28 0.00 0.02 0.00 0.00 55.36 55.03 3mr3 s GLN 79 Cb -0.12 -3.23 -0.10 0.00 1.00 0.00 0.00 33.01 30.56 3mr3 s GLN 79 CO 0.02 0.70 1.30 0.08 -2.12 0.00 0.00 175.29 175.27 3mr3 s VAL 80 N -0.83 2.74 0.41 1.09 1.01 -0.03 -4.93 120.40 119.85 3mr3 s VAL 80 Ca 0.15 0.74 -0.26 0.00 0.00 0.00 0.00 61.98 62.60 3mr3 s VAL 80 Cb -0.12 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 3mr3 s VAL 80 CO 0.04 0.17 1.38 -1.14 0.00 0.00 0.00 175.10 175.55 3mr3 n ARG 81 N 0.75 2.22 -4.80 2.72 0.63 -1.26 -4.76 116.66 112.16 3mr3 n ARG 81 Ca 0.00 0.79 -0.33 0.00 -0.92 0.00 0.00 57.85 57.39 3mr3 n ARG 81 Cb 0.42 -2.52 -0.15 0.00 0.45 0.00 0.00 32.46 30.65 3mr3 n ARG 81 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3mr3 s GLU 82 N -2.23 3.23 -0.02 -0.14 2.12 -1.26 -0.20 118.70 120.20 3mr3 s GLU 82 Ca 0.59 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 55.16 3mr3 s GLU 82 Cb -0.49 -2.54 0.02 0.00 0.26 0.00 0.00 34.13 31.39 3mr3 s GLU 82 CO 0.60 0.13 0.01 -1.12 -0.54 0.00 0.00 175.26 174.34 3mr3 s SER 83 N 0.52 0.24 -1.63 -1.70 0.01 0.51 -4.83 113.70 106.81 3mr3 s SER 83 Ca -0.11 -0.00 -0.03 0.00 1.31 0.00 0.00 55.95 57.12 3mr3 s SER 83 Cb -0.16 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.94 3mr3 s SER 83 CO 0.04 -0.09 0.37 0.54 0.41 0.00 0.00 173.24 174.51 3mr3 n ARG 84 N 3.97 -3.62 -1.00 12.44 1.74 -1.26 -2.02 116.66 126.92 3mr3 n ARG 84 Ca -0.25 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 3mr3 n ARG 84 Cb 0.52 -5.71 0.00 0.00 -1.02 0.00 0.00 32.46 26.24 3mr3 n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mr3 n GLY 85 N -1.33 0.61 3.14 -0.13 0.00 -1.26 -4.92 105.19 101.30 3mr3 n GLY 85 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3mr3 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mr3 s LYS 86 N -0.03 0.74 0.41 1.61 -2.85 -0.85 -5.12 119.74 113.64 3mr3 s LYS 86 Ca 0.00 -1.15 -0.27 0.00 -1.00 0.00 0.00 55.97 53.55 3mr3 s LYS 86 Cb 0.00 -0.23 -0.10 0.00 -2.06 0.00 0.00 37.83 35.44 3mr3 s LYS 86 CO 0.00 0.00 1.44 0.00 0.10 0.00 0.00 175.35 176.89 3mr3 s ALA 87 N -2.93 3.41 -0.20 0.59 0.00 -1.26 -0.36 121.76 121.01 3mr3 s ALA 87 Ca 0.05 1.49 0.01 0.00 0.00 0.00 0.00 51.96 53.51 3mr3 s ALA 87 Cb 0.01 -3.59 0.04 0.00 0.00 0.00 0.00 23.12 19.58 3mr3 s ALA 87 CO -0.03 -1.08 -0.11 1.21 0.00 0.00 0.00 175.76 175.75 3mr3 s ASN 88 N -0.35 3.44 -0.20 0.00 3.84 0.72 -4.77 114.94 117.63 3mr3 s ASN 88 Ca 0.56 -0.91 0.14 0.00 0.21 0.00 0.00 52.86 52.86 3mr3 s ASN 88 Cb -0.44 -1.26 0.74 0.00 -0.55 0.00 0.00 41.25 39.74 3mr3 s ASN 88 CO 0.59 -0.14 1.64 0.18 -2.79 0.00 0.00 177.10 176.57 3mr3 n LEU 89 N 4.67 5.21 -0.27 3.21 4.77 -1.26 -4.01 117.00 129.32 3mr3 n LEU 89 Ca -0.15 -2.64 0.04 0.00 -0.03 0.00 0.00 56.01 53.23 3mr3 n LEU 89 Cb 0.46 -0.65 0.17 0.00 -2.33 0.00 0.00 43.42 41.07 3mr3 n LEU 89 CO 0.20 0.63 1.08 0.74 -1.33 0.00 0.00 177.39 178.71 3mr3 h THR 90 N 3.72 0.80 -0.89 -5.08 2.02 -1.96 -1.80 112.91 109.72 3mr3 h THR 90 Ca 0.00 -0.21 0.08 0.00 0.77 0.00 0.00 66.41 67.05 3mr3 h THR 90 Cb 1.78 0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 68.25 3mr3 h THR 90 CO 0.41 0.11 0.55 0.50 0.37 0.00 0.00 175.52 177.47 3mr3 h LYS 91 N 0.61 0.95 -0.02 6.66 3.64 -2.00 -0.56 116.57 125.84 3mr3 h LYS 91 Ca 0.40 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.51 3mr3 h LYS 91 Cb 0.48 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3mr3 h LYS 91 CO -0.31 0.63 -0.86 1.88 -2.27 0.00 0.00 179.45 178.52 3mr3 h TYR 92 N 0.98 0.51 -0.56 1.91 -1.99 -1.72 -2.10 116.97 114.00 3mr3 h TYR 92 Ca 0.40 -0.26 -0.08 0.00 2.00 0.00 0.00 58.73 60.79 3mr3 h TYR 92 Cb 0.24 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 3mr3 h TYR 92 CO -0.03 1.06 0.03 0.00 -0.00 0.00 0.00 178.16 179.22 3mr3 h ARG 93 N 0.21 0.97 -0.21 4.88 3.08 -0.81 -0.18 114.38 122.32 3mr3 h ARG 93 Ca -0.06 -0.29 -0.14 0.00 0.07 0.00 0.00 59.98 59.56 3mr3 h ARG 93 Cb 1.47 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 3mr3 h ARG 93 CO 0.14 0.96 -0.44 1.05 -1.07 0.00 0.00 179.97 180.61 3mr3 h GLU 94 N 0.86 0.53 -0.45 0.04 4.11 -1.10 -1.68 114.58 116.89 3mr3 h GLU 94 Ca 0.16 -0.28 -0.09 0.00 0.07 0.00 0.00 59.36 59.23 3mr3 h GLU 94 Cb 0.50 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3mr3 h GLU 94 CO 0.02 0.87 -0.07 0.00 0.07 0.00 0.00 179.01 179.90 3mr3 h ALA 95 N 1.09 1.04 -0.66 1.06 0.00 -1.21 -2.32 119.26 118.25 3mr3 h ALA 95 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3mr3 h ALA 95 Cb 0.94 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3mr3 h ALA 95 CO 0.08 0.59 0.41 1.03 0.00 0.00 0.00 179.25 181.36 3mr3 h SER 96 N 0.72 0.78 -0.92 0.00 0.87 -0.64 -2.20 113.55 112.16 3mr3 h SER 96 Ca 0.13 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3mr3 h SER 96 Cb 0.54 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 3mr3 h SER 96 CO 0.03 0.59 0.59 0.58 -0.53 0.00 0.00 176.83 178.09 3mr3 h VAL 97 N 0.89 1.24 -0.55 2.23 2.07 -0.95 -0.56 116.25 120.63 3mr3 h VAL 97 Ca 0.24 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.38 3mr3 h VAL 97 Cb -0.05 -0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 29.54 3mr3 h VAL 97 CO -0.05 0.24 0.07 -0.33 0.02 0.00 0.00 177.57 177.52 3mr3 h GLU 98 N 1.26 0.19 -0.09 1.57 5.08 -0.87 -0.99 114.58 120.72 3mr3 h GLU 98 Ca 0.34 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.61 3mr3 h GLU 98 Cb -0.11 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3mr3 h GLU 98 CO -0.07 0.12 -0.23 0.28 -1.00 0.00 0.00 179.01 178.11 3mr3 h VAL 99 N 0.19 1.40 -0.91 3.13 2.07 -1.09 -3.07 116.25 117.97 3mr3 h VAL 99 Ca 0.28 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.28 3mr3 h VAL 99 Cb 0.42 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 3mr3 h VAL 99 CO -0.41 0.45 0.59 0.24 0.02 0.00 0.00 177.57 178.46 3mr3 h MET 100 N -0.13 1.12 -0.47 1.57 2.86 -0.88 -1.63 114.93 117.36 3mr3 h MET 100 Ca -0.00 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3mr3 h MET 100 Cb 0.84 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 3mr3 h MET 100 CO 0.05 0.74 0.05 0.93 1.06 0.00 0.00 176.91 179.74 3mr3 h GLU 101 N 1.15 0.74 -0.19 1.72 5.08 -1.22 -0.34 114.58 121.51 3mr3 h GLU 101 Ca 0.36 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3mr3 h GLU 101 Cb -0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3mr3 h GLU 101 CO -0.12 0.72 0.02 0.82 -1.00 0.00 0.00 179.01 179.46 3mr3 h ILE 102 N 0.70 1.24 -0.88 3.13 2.04 -1.32 -3.01 117.51 119.41 3mr3 h ILE 102 Ca 0.15 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 3mr3 h ILE 102 Cb 0.36 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3mr3 h ILE 102 CO 0.01 0.24 0.55 0.24 0.00 0.00 0.00 178.15 179.18 3mr3 h MET 103 N 0.11 1.18 0.00 2.37 2.86 -1.00 -2.20 114.93 118.25 3mr3 h MET 103 Ca 0.06 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3mr3 h MET 103 Cb 0.34 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3mr3 h MET 103 CO 0.01 0.81 0.00 0.66 1.06 0.00 0.00 176.91 179.45 3mr3 h SER 104 N 1.21 0.00 0.40 1.22 4.64 -0.92 -1.83 113.55 118.26 3mr3 h SER 104 Ca 0.32 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.53 3mr3 h SER 104 Cb -0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3mr3 h SER 104 CO -0.06 0.00 -0.47 0.03 -0.87 0.00 0.00 176.83 175.46 3mr3 h ARG 105 N 0.00 0.09 0.19 4.77 3.08 -1.38 -3.28 114.38 117.85 3mr3 h ARG 105 Ca 0.00 -0.05 -0.35 0.00 0.07 0.00 0.00 59.98 59.65 3mr3 h ARG 105 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.16 3mr3 h ARG 105 CO 0.00 0.55 -1.73 0.74 -1.07 0.00 0.00 179.97 178.46 3mr3 h PHE 106 N 0.08 0.71 -2.39 3.04 -1.00 -1.47 -3.50 116.94 112.41 3mr3 h PHE 106 Ca 0.00 -0.52 0.18 0.00 2.81 0.00 0.00 57.97 60.44 3mr3 h PHE 106 Cb 0.87 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 40.34 3mr3 h PHE 106 CO 0.01 1.66 0.56 0.00 -1.61 0.00 0.00 178.31 178.92 3mr3 s ALA 107 N -2.58 -1.65 0.24 2.45 0.00 -1.19 -4.92 121.76 114.10 3mr3 s ALA 107 Ca -0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 3mr3 s ALA 107 Cb 0.05 0.69 -0.10 0.00 0.00 0.00 0.00 23.12 23.76 3mr3 s ALA 107 CO 0.86 -1.06 1.51 0.08 0.00 0.00 0.00 175.76 177.16 3mr3 s VAL 108 N -2.61 2.50 0.14 0.00 1.01 -1.26 -4.35 120.40 115.83 3mr3 s VAL 108 Ca 0.18 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.62 3mr3 s VAL 108 Cb -0.02 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3mr3 s VAL 108 CO 0.04 0.05 -0.13 0.27 0.00 0.00 0.00 175.10 175.33 3mr3 s ILE 109 N 0.33 1.33 -0.26 2.22 -4.36 -1.26 -2.57 121.20 116.62 3mr3 s ILE 109 Ca 0.63 -1.85 0.02 0.00 -0.26 0.00 0.00 60.65 59.19 3mr3 s ILE 109 Cb -0.44 -1.66 0.06 0.00 1.25 0.00 0.00 42.46 41.67 3mr3 s ILE 109 CO 0.41 -0.52 -0.09 -0.70 0.24 0.00 0.00 174.94 174.27 3mr3 s GLU 110 N -3.04 2.28 0.05 0.37 2.12 -0.34 -2.55 118.70 117.58 3mr3 s GLU 110 Ca 0.12 -1.33 -0.30 0.00 0.36 0.00 0.00 54.97 53.82 3mr3 s GLU 110 Cb -0.03 -2.93 -0.09 0.00 0.26 0.00 0.00 34.13 31.35 3mr3 s GLU 110 CO 0.03 -0.57 1.86 0.50 -0.54 0.00 0.00 175.26 176.54 3mr3 s ARG 111 N 1.13 4.15 -0.03 4.30 3.52 0.48 -1.39 118.95 131.11 3mr3 s ARG 111 Ca -0.08 2.52 0.13 0.00 -0.13 0.00 0.00 55.73 58.17 3mr3 s ARG 111 Cb -0.20 -3.96 -0.19 0.00 -1.56 0.00 0.00 34.95 29.04 3mr3 s ARG 111 CO -0.04 -0.89 0.26 0.00 -0.81 0.00 0.00 175.30 173.81 3mr3 n ALA 112 N 6.89 2.41 -3.85 6.12 0.00 -0.32 -4.95 120.51 126.81 3mr3 n ALA 112 Ca 0.19 -0.34 -0.06 0.00 0.00 0.00 0.00 53.44 53.22 3mr3 n ALA 112 Cb 0.41 -0.40 0.03 0.00 0.00 0.00 0.00 19.45 19.48 3mr3 n ALA 112 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mr3 s SER 113 N -3.55 0.03 0.55 0.00 1.04 -1.08 -4.94 113.70 105.75 3mr3 s SER 113 Ca -0.05 -0.96 0.29 0.00 0.48 0.00 0.00 55.95 55.71 3mr3 s SER 113 Cb 0.08 0.69 1.61 0.00 0.10 0.00 0.00 66.02 68.50 3mr3 s SER 113 CO 0.53 -1.38 2.13 -0.29 0.98 0.00 0.00 173.24 175.21 3mr3 h ILE 114 N 2.00 0.49 0.00 -1.02 -0.00 -1.98 -3.21 117.51 113.79 3mr3 h ILE 114 Ca -0.31 -0.37 0.00 0.00 -0.00 0.00 0.00 64.86 64.19 3mr3 h ILE 114 Cb 1.23 1.24 0.00 0.00 -0.00 0.00 0.00 36.82 39.30 3mr3 h ILE 114 CO 0.40 0.08 -0.02 -0.90 -0.00 0.00 0.00 178.15 177.70 3mr3 n ASP 115 N -3.63 2.02 -3.70 2.19 3.85 -1.26 -4.62 116.55 111.40 3mr3 n ASP 115 Ca -0.02 -2.50 -0.14 0.00 -0.71 0.00 0.00 54.79 51.43 3mr3 n ASP 115 Cb 0.19 -0.22 -0.07 0.00 -1.35 0.00 0.00 41.12 39.67 3mr3 n ASP 115 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3mr3 s GLU 116 N -1.84 0.82 -0.01 0.11 -1.05 -1.21 -1.62 118.70 113.90 3mr3 s GLU 116 Ca 0.16 -0.22 -0.07 0.00 -0.15 0.00 0.00 54.97 54.69 3mr3 s GLU 116 Cb 0.14 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 3mr3 s GLU 116 CO 0.01 -0.25 0.14 0.00 0.95 0.00 0.00 175.26 176.11 3mr3 s ALA 117 N -1.80 -0.34 0.24 -0.84 0.00 -0.89 -1.17 121.76 116.96 3mr3 s ALA 117 Ca -0.10 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.70 3mr3 s ALA 117 Cb -0.03 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.07 3mr3 s ALA 117 CO 0.02 -0.19 0.60 0.71 0.00 0.00 0.00 175.76 176.90 3mr3 s TYR 118 N -1.18 3.44 -0.07 0.00 1.51 -0.49 -1.70 117.35 118.86 3mr3 s TYR 118 Ca -0.13 0.99 0.02 0.00 -1.01 0.00 0.00 57.07 56.94 3mr3 s TYR 118 Cb -0.07 -2.35 0.02 0.00 -0.11 0.00 0.00 41.96 39.45 3mr3 s TYR 118 CO 0.01 0.24 -0.11 0.08 -1.11 0.00 0.00 175.55 174.67 3mr3 s VAL 119 N -1.81 1.06 -0.54 0.71 1.01 0.15 -1.20 120.40 119.78 3mr3 s VAL 119 Ca 0.48 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 3mr3 s VAL 119 Cb -0.11 -1.00 0.08 0.00 0.00 0.00 0.00 36.38 35.34 3mr3 s VAL 119 CO 0.20 0.35 0.65 -0.62 0.00 0.00 0.00 175.10 175.68 3mr3 s ASP 120 N 0.92 6.21 0.00 3.32 -1.08 -1.06 -0.83 116.67 124.14 3mr3 s ASP 120 Ca -0.10 -1.12 0.22 0.00 -0.52 0.00 0.00 52.55 51.03 3mr3 s ASP 120 Cb -0.15 -2.29 0.59 0.00 -1.46 0.00 0.00 42.92 39.61 3mr3 s ASP 120 CO 0.01 -0.98 1.50 0.18 0.52 0.00 0.00 175.17 176.40 3mr3 n LEU 121 N 6.22 3.83 -0.07 -1.34 4.77 0.63 -4.43 117.00 126.61 3mr3 n LEU 121 Ca -0.08 -1.88 -0.07 0.00 -0.03 0.00 0.00 56.01 53.95 3mr3 n LEU 121 Cb 0.44 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3mr3 n LEU 121 CO 0.56 0.93 0.73 0.74 -1.33 0.00 0.00 177.39 179.01 3mr3 h THR 122 N 4.29 0.47 -0.44 -5.08 2.02 -1.89 -0.27 112.91 112.01 3mr3 h THR 122 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3mr3 h THR 122 Cb 0.98 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3mr3 h THR 122 CO 0.00 0.00 -0.13 0.28 0.37 0.00 0.00 175.52 176.04 3mr3 h SER 123 N -0.17 0.87 -0.78 4.18 0.02 -1.93 -2.38 113.55 113.35 3mr3 h SER 123 Ca 0.15 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3mr3 h SER 123 Cb 0.40 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 3mr3 h SER 123 CO -0.38 1.04 0.47 0.00 -1.14 0.00 0.00 176.83 176.82 3mr3 h ALA 124 N 0.85 1.34 -0.42 3.77 0.00 -1.77 -1.37 119.26 121.67 3mr3 h ALA 124 Ca 0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3mr3 h ALA 124 Cb 0.68 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3mr3 h ALA 124 CO 0.05 0.56 0.03 0.28 0.00 0.00 0.00 179.25 180.17 3mr3 h VAL 125 N 1.09 1.25 -0.45 0.00 2.07 -0.92 -0.78 116.25 118.51 3mr3 h VAL 125 Ca 0.28 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3mr3 h VAL 125 Cb -0.04 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3mr3 h VAL 125 CO -0.05 0.33 0.25 1.56 0.02 0.00 0.00 177.57 179.68 3mr3 h GLN 126 N 0.57 0.49 -0.49 1.57 1.08 -0.89 0.34 115.11 117.78 3mr3 h GLN 126 Ca 0.12 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 3mr3 h GLN 126 Cb 0.44 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 3mr3 h GLN 126 CO 0.02 0.32 0.23 0.93 -0.95 0.00 0.00 178.83 179.38 3mr3 h GLU 127 N 0.50 0.70 -0.61 1.46 3.07 -1.09 -1.59 114.58 117.03 3mr3 h GLU 127 Ca 0.19 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 3mr3 h GLU 127 Cb 0.05 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 3mr3 h GLU 127 CO -0.11 0.59 0.07 -0.09 -1.40 0.00 0.00 179.01 178.07 3mr3 h ARG 128 N 0.64 1.01 -0.54 2.33 9.65 -0.76 -1.07 114.38 125.64 3mr3 h ARG 128 Ca 0.17 -0.27 -0.06 0.00 -1.10 0.00 0.00 59.98 58.72 3mr3 h ARG 128 Cb 0.12 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 3mr3 h ARG 128 CO -0.02 0.95 0.11 -0.07 2.80 0.00 0.00 179.97 183.74 3mr3 h LEU 129 N 0.94 0.84 -1.17 3.80 3.38 -0.75 0.91 115.31 123.25 3mr3 h LEU 129 Ca 0.18 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3mr3 h LEU 129 Cb 0.45 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3mr3 h LEU 129 CO 0.02 0.87 0.16 -0.61 0.09 0.00 0.00 178.44 178.97 3mr3 h GLN 130 N 0.78 0.74 -0.24 1.13 4.15 -1.08 -3.01 115.11 117.58 3mr3 h GLN 130 Ca 0.17 -0.12 -0.16 0.00 0.77 0.00 0.00 58.65 59.30 3mr3 h GLN 130 Cb 0.37 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3mr3 h GLN 130 CO 0.01 0.64 -0.49 -0.22 -1.93 0.00 0.00 178.83 176.84 3mr3 h LYS 131 N 0.73 0.75 0.00 1.69 3.64 -0.69 -3.51 116.57 119.18 3mr3 h LYS 131 Ca 0.17 -0.49 -0.06 0.00 -1.27 0.00 0.00 60.65 59.00 3mr3 h LYS 131 Cb 0.21 0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3mr3 h LYS 131 CO -0.01 1.11 0.05 1.28 -2.27 0.00 0.00 179.45 179.61 3mr3 n LEU 132 N -4.12 0.00 0.00 5.20 4.32 0.27 -5.09 117.00 117.57 3mr3 n LEU 132 Ca -0.05 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.71 3mr3 n LEU 132 Cb 0.59 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 3mr3 n LEU 132 CO 0.48 -0.62 0.00 0.00 -1.22 0.00 0.00 177.39 176.03 3mr3 n GLN 135 N -1.38 0.00 -1.62 3.23 10.64 -1.26 -4.82 117.38 122.17 3mr3 n GLN 135 Ca 0.02 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.85 3mr3 n GLN 135 Cb 0.08 0.00 0.07 0.00 -0.86 0.00 0.00 30.24 29.53 3mr3 n GLN 135 CO 0.00 0.00 0.00 -2.14 -1.83 0.00 0.00 177.06 173.09 3mr3 s PRO 136 N -1.08 2.45 -0.28 2.61 0.01 -1.26 -5.01 135.00 132.44 3mr3 s PRO 136 Ca 0.00 1.68 -0.15 0.00 0.01 0.00 0.00 61.00 62.54 3mr3 s PRO 136 Cb 0.00 -1.88 -0.03 0.00 0.01 0.00 0.00 34.50 32.60 3mr3 s PRO 136 CO 0.00 -1.58 0.36 0.42 0.01 0.00 0.00 177.00 176.21 3mr3 s ILE 137 N -2.00 5.18 0.42 2.83 1.01 -1.26 -5.07 121.20 122.31 3mr3 s ILE 137 Ca 0.73 0.46 -0.21 0.00 0.00 0.00 0.00 60.65 61.63 3mr3 s ILE 137 Cb -0.27 -3.71 -0.11 0.00 0.01 0.00 0.00 42.46 38.38 3mr3 s ILE 137 CO 0.42 0.12 0.95 -0.55 0.00 0.00 0.00 174.94 175.89 3mr3 s SER 138 N 1.67 6.94 0.60 3.58 0.15 -1.26 -4.94 113.70 120.44 3mr3 s SER 138 Ca 0.14 1.72 0.35 0.00 0.70 0.00 0.00 55.95 58.86 3mr3 s SER 138 Cb -0.16 -2.54 1.92 0.00 -1.71 0.00 0.00 66.02 63.52 3mr3 s SER 138 CO 0.10 -0.36 2.23 0.00 1.20 0.00 0.00 173.24 176.42 3mr3 h ALA 139 N 2.00 1.22 0.00 5.45 0.00 -1.97 -1.69 119.26 124.28 3mr3 h ALA 139 Ca -0.49 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3mr3 h ALA 139 Cb 1.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3mr3 h ALA 139 CO 0.61 0.04 -0.00 -0.44 0.00 0.00 0.00 179.25 179.46 3mr3 h ASP 140 N 0.00 0.00 0.84 0.00 3.32 -2.01 -0.56 116.42 118.00 3mr3 h ASP 140 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mr3 h ASP 140 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3mr3 h ASP 140 CO 0.00 0.00 -0.09 0.18 -1.72 0.00 0.00 179.24 177.61 3mr3 n LEU 141 N -3.09 0.11 -3.07 1.55 4.77 -0.64 -4.14 117.00 112.50 3mr3 n LEU 141 Ca -0.01 0.37 -0.22 0.00 -0.03 0.00 0.00 56.01 56.12 3mr3 n LEU 141 Cb 0.22 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 3mr3 n LEU 141 CO 0.25 0.03 -0.05 0.18 -1.33 0.00 0.00 177.39 176.46 3mr3 n LEU 142 N -1.45 2.52 0.26 2.23 4.77 -0.22 -4.72 117.00 120.39 3mr3 n LEU 142 Ca 0.08 -5.32 0.11 0.00 -0.03 0.00 0.00 56.01 50.86 3mr3 n LEU 142 Cb 0.33 0.13 0.70 0.00 -2.33 0.00 0.00 43.42 42.24 3mr3 n LEU 142 CO 0.28 2.32 0.97 1.55 -1.33 0.00 0.00 177.39 181.18 3mr3 h PRO 143 N 2.99 0.00 0.00 3.23 0.13 -1.72 -3.13 132.00 133.50 3mr3 h PRO 143 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3mr3 h PRO 143 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3mr3 h PRO 143 CO 0.65 0.13 -0.02 0.43 -0.23 0.00 0.00 178.00 178.95 3mr3 n SER 144 N -3.78 2.08 -4.80 1.44 7.64 -1.26 -5.06 113.62 109.89 3mr3 n SER 144 Ca -0.02 -2.64 -0.37 0.00 1.01 0.00 0.00 58.87 56.85 3mr3 n SER 144 Cb 0.23 -0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.09 3mr3 n SER 144 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3mr3 s THR 145 N -2.08 5.25 -0.06 0.44 2.01 -1.19 -1.81 115.64 118.21 3mr3 s THR 145 Ca 0.19 0.58 -0.00 0.00 0.31 0.00 0.00 61.69 62.77 3mr3 s THR 145 Cb 0.17 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 3mr3 s THR 145 CO 0.02 0.50 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.12 3mr3 s TYR 146 N -0.36 3.08 -0.39 4.92 2.02 0.15 -4.85 117.35 121.92 3mr3 s TYR 146 Ca 0.19 0.12 -0.12 0.00 -0.37 0.00 0.00 57.07 56.89 3mr3 s TYR 146 Cb -0.14 -1.74 0.03 0.00 -0.40 0.00 0.00 41.96 39.71 3mr3 s TYR 146 CO 0.07 0.43 0.24 0.42 -1.57 0.00 0.00 175.55 175.15 3mr3 s ILE 147 N -0.91 4.76 0.24 2.71 -1.09 -1.26 -0.84 121.20 124.81 3mr3 s ILE 147 Ca 0.14 -0.86 -0.31 0.00 -2.23 0.00 0.00 60.65 57.39 3mr3 s ILE 147 Cb -0.11 -3.69 -0.12 0.00 -1.58 0.00 0.00 42.46 36.96 3mr3 s ILE 147 CO 0.04 -0.29 1.63 1.21 -1.23 0.00 0.00 174.94 176.30 3mr3 n GLU 148 N 5.05 2.61 0.00 2.79 4.07 -0.72 -2.12 120.64 132.31 3mr3 n GLU 148 Ca -0.11 0.94 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 3mr3 n GLU 148 Cb 0.46 -2.73 0.00 0.00 -0.06 0.00 0.00 31.44 29.11 3mr3 n GLU 148 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mr3 n GLY 149 N 3.06 2.38 3.55 8.31 0.00 -1.26 -4.82 105.19 116.41 3mr3 n GLY 149 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3mr3 n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mr3 s LEU 150 N 0.00 2.88 0.68 0.99 1.43 -0.90 -4.36 118.68 119.39 3mr3 s LEU 150 Ca 0.00 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 3mr3 s LEU 150 Cb 0.00 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.71 3mr3 s LEU 150 CO 0.00 0.07 1.05 -2.16 0.23 0.00 0.00 176.35 175.55 3mr3 s PRO 151 N -3.09 3.09 0.07 1.29 0.04 -1.26 -4.57 135.00 130.57 3mr3 s PRO 151 Ca 0.26 0.84 0.02 0.00 0.04 0.00 0.00 61.00 62.16 3mr3 s PRO 151 Cb -0.08 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3mr3 s PRO 151 CO 0.15 -0.96 -0.06 -0.65 0.04 0.00 0.00 177.00 175.52 3mr3 s GLN 152 N -5.11 0.71 0.00 4.56 -0.21 -1.26 -4.98 119.66 113.36 3mr3 s GLN 152 Ca 0.57 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.82 3mr3 s GLN 152 Cb -0.13 -0.18 0.00 0.00 1.00 0.00 0.00 33.01 33.70 3mr3 s GLN 152 CO 0.54 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 174.12 3mr3 n GLY 153 N 0.47 2.67 2.80 3.09 0.00 -1.26 -5.14 105.19 107.81 3mr3 n GLY 153 Ca -0.16 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3mr3 n GLY 153 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3mr3 n GLU 159 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -5.26 120.64 115.73 3mr3 n GLU 159 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.16 57.25 3mr3 n GLU 159 Cb 0.00 0.00 0.43 0.00 -0.00 0.00 0.00 31.44 31.87 3mr3 n GLU 159 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3mr3 n THR 160 N 0.00 0.57 0.53 3.84 -2.24 -1.26 -2.51 114.28 113.21 3mr3 n THR 160 Ca 0.00 0.14 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 3mr3 n THR 160 Cb 0.00 -0.84 0.39 0.00 -2.10 0.00 0.00 70.33 67.79 3mr3 n THR 160 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3mr3 n VAL 161 N -1.36 0.83 -4.34 2.28 0.24 -1.26 -4.66 118.33 110.05 3mr3 n VAL 161 Ca 0.07 0.19 -0.29 0.00 -2.04 0.00 0.00 64.34 62.27 3mr3 n VAL 161 Cb 0.17 -0.97 -0.12 0.00 -1.47 0.00 0.00 33.84 31.46 3mr3 n VAL 161 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3mr3 s GLN 162 N -3.09 1.75 0.28 7.34 -0.21 -1.04 -5.06 119.66 119.63 3mr3 s GLN 162 Ca 0.07 -1.19 -0.03 0.00 0.02 0.00 0.00 55.36 54.23 3mr3 s GLN 162 Cb 0.11 -2.09 0.38 0.00 1.00 0.00 0.00 33.01 32.41 3mr3 s GLN 162 CO 0.34 0.48 1.94 -0.22 -2.12 0.00 0.00 175.29 175.71 3mr3 h LYS 163 N 3.80 1.13 -0.03 2.91 3.64 -1.85 -1.98 116.57 124.18 3mr3 h LYS 163 Ca -0.50 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 58.69 3mr3 h LYS 163 Cb 1.17 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 3mr3 h LYS 163 CO 0.45 0.77 -0.46 1.49 -2.27 0.00 0.00 179.45 179.43 3mr3 h GLU 164 N 1.15 0.08 -0.42 1.90 4.57 -1.97 -0.91 114.58 118.98 3mr3 h GLU 164 Ca 0.30 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.35 3mr3 h GLU 164 Cb -0.08 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3mr3 h GLU 164 CO -0.06 0.53 -0.11 0.78 -1.18 0.00 0.00 179.01 178.97 3mr3 h GLY 165 N 1.37 0.88 0.98 1.92 0.00 -1.52 -1.39 103.07 105.31 3mr3 h GLY 165 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 3mr3 h GLY 165 CO 0.06 0.67 0.27 1.98 0.00 0.00 0.00 176.54 179.52 3mr3 h MET 166 N 0.64 0.78 -0.30 4.80 1.85 -1.08 -1.66 114.93 119.96 3mr3 h MET 166 Ca 0.11 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3mr3 h MET 166 Cb 0.64 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.51 3mr3 h MET 166 CO 0.04 0.63 0.20 -0.09 -0.40 0.00 0.00 176.91 177.29 3mr3 h ARG 167 N 0.73 0.40 -0.48 0.39 2.43 -0.92 -1.66 114.38 115.27 3mr3 h ARG 167 Ca 0.19 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3mr3 h ARG 167 Cb 0.11 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3mr3 h ARG 167 CO -0.02 0.28 0.15 0.87 -1.51 0.00 0.00 179.97 179.74 3mr3 h LYS 168 N 0.40 0.75 -0.79 0.20 1.57 -1.14 -1.15 116.57 116.41 3mr3 h LYS 168 Ca 0.11 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3mr3 h LYS 168 Cb -0.03 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3mr3 h LYS 168 CO -0.02 0.71 0.42 1.96 -0.57 0.00 0.00 179.45 181.94 3mr3 h GLN 169 N 0.64 1.12 -0.37 3.15 1.08 -1.14 0.16 115.11 119.75 3mr3 h GLN 169 Ca 0.15 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 3mr3 h GLN 169 Cb 0.27 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3mr3 h GLN 169 CO -0.00 0.84 0.06 0.78 -0.95 0.00 0.00 178.83 179.56 3mr3 h GLY 170 N 1.11 0.65 1.01 3.46 0.00 -1.12 -1.49 103.07 106.69 3mr3 h GLY 170 Ca 0.28 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3mr3 h GLY 170 CO -0.04 0.40 0.46 -2.00 0.00 0.00 0.00 176.54 175.36 3mr3 h LEU 171 N 0.44 0.99 -0.31 3.11 5.85 -0.87 -1.73 115.31 122.80 3mr3 h LEU 171 Ca 0.11 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3mr3 h LEU 171 Cb 0.36 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3mr3 h LEU 171 CO 0.01 0.79 0.16 -0.26 -0.34 0.00 0.00 178.44 178.79 3mr3 h PHE 172 N 1.11 0.43 -0.80 1.25 0.04 -0.50 -0.20 116.94 118.27 3mr3 h PHE 172 Ca 0.29 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.06 3mr3 h PHE 172 Cb 0.00 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 3mr3 h PHE 172 CO 0.00 0.37 0.52 1.96 -0.60 0.00 0.00 178.31 180.56 3mr3 h GLN 173 N 0.37 0.99 0.08 1.51 4.20 -1.01 0.10 115.11 121.34 3mr3 h GLN 173 Ca 0.11 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 3mr3 h GLN 173 Cb 0.09 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3mr3 h GLN 173 CO -0.02 0.65 -0.04 2.35 -0.67 0.00 0.00 178.83 181.11 3mr3 h TRP 174 N 1.02 -0.10 -0.42 2.96 2.91 -1.00 -2.45 115.95 118.87 3mr3 h TRP 174 Ca 0.31 -0.00 -0.12 0.00 1.13 0.00 0.00 58.89 60.21 3mr3 h TRP 174 Cb -0.03 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 3mr3 h TRP 174 CO -0.03 0.05 -0.22 -0.07 -1.03 0.00 0.00 178.44 177.14 3mr3 h LEU 175 N -0.23 0.88 -1.52 0.65 3.38 -0.83 -1.48 115.31 116.16 3mr3 h LEU 175 Ca -0.01 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.64 3mr3 h LEU 175 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3mr3 h LEU 175 CO 0.02 1.07 0.33 0.44 0.09 0.00 0.00 178.44 180.38 3mr3 h ASP 176 N 0.74 0.56 0.88 -0.43 3.32 -0.75 -2.00 116.42 118.75 3mr3 h ASP 176 Ca 0.10 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.92 3mr3 h ASP 176 Cb 0.76 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3mr3 h ASP 176 CO 0.06 0.41 -1.01 0.28 -1.72 0.00 0.00 179.24 177.26 3mr3 h SER 177 N 0.67 0.10 0.33 6.45 0.02 -1.05 -2.12 113.55 117.94 3mr3 h SER 177 Ca 0.18 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3mr3 h SER 177 Cb -0.07 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3mr3 h SER 177 CO -0.04 1.04 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.45 3mr3 h LEU 178 N 0.02 -0.43 -1.02 5.07 3.38 -0.81 -0.83 115.31 120.70 3mr3 h LEU 178 Ca -0.03 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3mr3 h LEU 178 Cb 1.74 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 42.55 3mr3 h LEU 178 CO 0.14 -0.29 0.65 -0.61 0.09 0.00 0.00 178.44 178.41 3mr3 h GLN 179 N -0.47 1.13 0.00 1.13 4.15 -1.43 -1.88 115.11 117.74 3mr3 h GLN 179 Ca -0.04 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3mr3 h GLN 179 Cb 0.38 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3mr3 h GLN 179 CO 0.06 0.75 0.00 1.51 -1.93 0.00 0.00 178.83 179.21 3mr3 n ILE 180 N -4.51 0.84 -0.72 2.39 3.06 -0.80 -4.85 119.36 114.77 3mr3 n ILE 180 Ca 0.16 0.19 0.00 0.00 -2.50 0.00 0.00 62.75 60.60 3mr3 n ILE 180 Cb 0.20 -1.05 0.00 0.00 0.54 0.00 0.00 39.64 39.33 3mr3 n ILE 180 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 3mr3 n ASP 181 N -1.97 -1.60 0.19 9.51 -0.08 -0.71 -4.94 116.55 116.96 3mr3 n ASP 181 Ca 0.03 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.44 3mr3 n ASP 181 Cb 0.23 -0.27 0.29 0.00 2.34 0.00 0.00 41.12 43.71 3mr3 n ASP 181 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3mr3 h ASN 182 N 0.00 0.00 -4.44 1.67 2.35 -1.35 -3.46 115.58 110.35 3mr3 h ASN 182 Ca 0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 3mr3 h ASN 182 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3mr3 h ASN 182 CO 0.00 0.00 -0.01 0.18 -1.65 0.00 0.00 177.43 175.95 3mr3 n LEU 183 N -2.81 0.00 -4.97 1.61 4.77 -1.14 -5.00 117.00 109.45 3mr3 n LEU 183 Ca 0.04 -0.57 -0.18 0.00 -0.03 0.00 0.00 56.01 55.27 3mr3 n LEU 183 Cb 0.47 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3mr3 n LEU 183 CO 0.32 -0.56 0.09 0.42 -1.33 0.00 0.00 177.39 176.33 3mr3 s THR 184 N 0.01 3.17 0.24 -5.08 -4.23 -1.26 -4.98 115.64 103.50 3mr3 s THR 184 Ca 0.15 -1.08 -0.07 0.00 -1.18 0.00 0.00 61.69 59.50 3mr3 s THR 184 Cb -0.01 -3.09 0.23 0.00 1.34 0.00 0.00 72.50 70.97 3mr3 s THR 184 CO 0.09 -0.04 1.90 -1.28 -0.54 0.00 0.00 174.62 174.76 3mr3 h SER 185 N 0.80 1.11 -0.85 3.99 0.87 -1.99 -2.06 113.55 115.41 3mr3 h SER 185 Ca -0.42 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 3mr3 h SER 185 Cb 1.27 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.91 3mr3 h SER 185 CO 0.49 0.83 0.53 -0.65 -0.53 0.00 0.00 176.83 177.50 3mr3 h PRO 186 N 1.29 1.14 -0.76 2.24 0.11 -1.95 -0.43 132.00 133.65 3mr3 h PRO 186 Ca 0.34 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.32 3mr3 h PRO 186 Cb -0.10 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 30.73 3mr3 h PRO 186 CO -0.07 0.78 0.31 -0.44 -0.21 0.00 0.00 178.00 178.38 3mr3 h ASP 187 N 1.16 1.03 -0.51 -2.05 3.32 -1.78 -0.77 116.42 116.83 3mr3 h ASP 187 Ca 0.31 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 3mr3 h ASP 187 Cb -0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 3mr3 h ASP 187 CO -0.06 0.91 -0.00 0.25 -1.72 0.00 0.00 179.24 178.62 3mr3 h LEU 188 N 1.10 0.88 -0.88 1.55 5.85 -0.80 -1.93 115.31 121.08 3mr3 h LEU 188 Ca 0.26 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 3mr3 h LEU 188 Cb 0.19 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3mr3 h LEU 188 CO -0.02 0.97 0.34 1.56 -0.34 0.00 0.00 178.44 180.95 3mr3 h GLN 189 N 0.76 1.15 -0.68 1.25 4.20 -0.59 -0.97 115.11 120.23 3mr3 h GLN 189 Ca 0.14 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3mr3 h GLN 189 Cb 0.52 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3mr3 h GLN 189 CO 0.03 0.92 0.28 -0.07 -0.67 0.00 0.00 178.83 179.31 3mr3 h LEU 190 N 1.13 0.93 -0.34 1.46 3.38 -1.03 0.24 115.31 121.08 3mr3 h LEU 190 Ca 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3mr3 h LEU 190 Cb 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3mr3 h LEU 190 CO -0.03 0.84 0.16 0.74 0.09 0.00 0.00 178.44 180.24 3mr3 h THR 191 N 0.96 1.17 -0.66 0.22 2.02 -0.69 0.11 112.91 116.04 3mr3 h THR 191 Ca 0.23 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 3mr3 h THR 191 Cb 0.19 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3mr3 h THR 191 CO -0.02 0.18 0.18 0.58 0.37 0.00 0.00 175.52 176.81 3mr3 h VAL 192 N 0.41 1.25 -0.87 3.16 2.07 -1.04 -1.52 116.25 119.71 3mr3 h VAL 192 Ca 0.12 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.80 3mr3 h VAL 192 Cb 0.14 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3mr3 h VAL 192 CO -0.01 0.34 0.55 1.23 0.02 0.00 0.00 177.57 179.70 3mr3 h GLY 193 N 1.06 1.28 1.64 2.17 0.00 -0.42 -1.60 103.07 107.20 3mr3 h GLY 193 Ca 0.21 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 3mr3 h GLY 193 CO -0.00 0.33 -0.24 0.00 0.00 0.00 0.00 176.54 176.63 3mr3 h ALA 194 N 1.38 1.17 -0.21 3.60 0.00 0.02 -1.15 119.26 124.07 3mr3 h ALA 194 Ca 0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3mr3 h ALA 194 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3mr3 h ALA 194 CO -0.14 0.53 0.09 0.28 0.00 0.00 0.00 179.25 180.02 3mr3 h VAL 195 N 0.38 1.15 -0.82 0.00 2.07 -0.52 -0.91 116.25 117.60 3mr3 h VAL 195 Ca 0.06 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3mr3 h VAL 195 Cb 0.62 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3mr3 h VAL 195 CO 0.04 0.14 0.49 0.40 0.02 0.00 0.00 177.57 178.67 3mr3 h ILE 196 N 0.20 1.23 -0.37 4.57 2.04 -0.99 -2.23 117.51 121.96 3mr3 h ILE 196 Ca 0.07 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 3mr3 h ILE 196 Cb 0.14 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 3mr3 h ILE 196 CO -0.01 0.24 -0.03 0.58 0.00 0.00 0.00 178.15 178.94 3mr3 h VAL 197 N 1.12 1.22 -0.48 1.67 2.07 -1.01 0.65 116.25 121.49 3mr3 h VAL 197 Ca 0.29 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3mr3 h VAL 197 Cb -0.04 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3mr3 h VAL 197 CO -0.05 0.31 0.27 -0.33 0.02 0.00 0.00 177.57 177.79 3mr3 h GLU 198 N 0.56 0.53 -0.74 1.57 4.39 -0.60 0.31 114.58 120.61 3mr3 h GLU 198 Ca 0.11 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3mr3 h GLU 198 Cb 0.40 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3mr3 h GLU 198 CO 0.02 0.35 0.29 0.93 -1.16 0.00 0.00 179.01 179.44 3mr3 h GLU 199 N 0.55 1.10 -0.23 2.33 5.08 -0.80 -0.52 114.58 122.08 3mr3 h GLU 199 Ca 0.20 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3mr3 h GLU 199 Cb 0.05 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3mr3 h GLU 199 CO -0.11 0.90 0.07 1.98 -1.00 0.00 0.00 179.01 180.85 3mr3 h MET 200 N 1.06 0.36 -0.32 2.33 4.05 -0.48 -1.42 114.93 120.51 3mr3 h MET 200 Ca 0.25 -0.08 -0.07 0.00 -0.28 0.00 0.00 59.70 59.51 3mr3 h MET 200 Cb 0.22 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 3mr3 h MET 200 CO -0.02 0.45 -0.11 0.00 0.23 0.00 0.00 176.91 177.46 3mr3 h ARG 201 N 0.19 0.53 -0.44 0.39 3.08 -0.78 -0.91 114.38 116.45 3mr3 h ARG 201 Ca 0.07 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3mr3 h ARG 201 Cb 0.25 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3mr3 h ARG 201 CO -0.00 0.64 0.10 0.00 -1.07 0.00 0.00 179.97 179.64 3mr3 h ALA 202 N 1.39 0.58 -0.80 0.04 0.00 -0.95 -1.67 119.26 117.85 3mr3 h ALA 202 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3mr3 h ALA 202 Cb 0.49 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3mr3 h ALA 202 CO 0.03 0.28 0.39 0.00 0.00 0.00 0.00 179.25 179.95 3mr3 h ALA 203 N 0.96 1.04 -0.22 0.00 0.00 -0.79 0.21 119.26 120.46 3mr3 h ALA 203 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3mr3 h ALA 203 Cb 0.34 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3mr3 h ALA 203 CO 0.00 0.59 0.08 0.82 0.00 0.00 0.00 179.25 180.75 3mr3 h ILE 204 N 1.13 1.17 -0.48 0.00 2.04 -0.99 -0.91 117.51 119.48 3mr3 h ILE 204 Ca 0.28 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 3mr3 h ILE 204 Cb 0.11 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3mr3 h ILE 204 CO -0.04 0.17 0.10 -0.08 0.00 0.00 0.00 178.15 178.31 3mr3 h GLU 205 N 0.20 0.79 -0.52 2.37 4.81 -1.10 -0.60 114.58 120.53 3mr3 h GLU 205 Ca 0.07 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3mr3 h GLU 205 Cb 0.19 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3mr3 h GLU 205 CO -0.00 0.78 0.25 -0.09 -0.73 0.00 0.00 179.01 179.21 3mr3 h ARG 206 N 0.67 0.75 0.00 1.92 2.43 -0.85 0.97 114.38 120.26 3mr3 h ARG 206 Ca 0.15 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3mr3 h ARG 206 Cb 0.36 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3mr3 h ARG 206 CO 0.01 0.62 -0.76 0.39 -1.51 0.00 0.00 179.97 178.72 3mr3 n GLU 207 N -4.59 0.20 0.00 0.20 1.02 -0.36 -4.46 120.64 112.66 3mr3 n GLU 207 Ca 0.02 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3mr3 n GLU 207 Cb 0.12 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 3mr3 n GLU 207 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3mr3 n THR 208 N -1.86 0.00 -0.26 2.62 -2.24 -0.24 -5.01 114.28 107.28 3mr3 n THR 208 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3mr3 n THR 208 Cb 0.41 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 3mr3 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr3 n GLY 209 N 2.13 1.06 3.82 3.38 0.00 0.33 -5.04 105.19 110.87 3mr3 n GLY 209 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3mr3 n GLY 209 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mr3 s PHE 210 N -2.74 3.75 0.10 1.61 2.99 -1.26 -4.94 117.98 117.49 3mr3 s PHE 210 Ca 0.00 1.23 0.01 0.00 0.00 0.00 0.00 56.93 58.16 3mr3 s PHE 210 Cb 0.00 -2.47 -0.04 0.00 0.00 0.00 0.00 43.02 40.51 3mr3 s PHE 210 CO 0.00 0.54 0.25 -0.65 -0.00 0.00 0.00 175.22 175.36 3mr3 s GLN 211 N -1.36 3.45 0.24 0.44 -0.21 -1.26 -3.36 119.66 117.59 3mr3 s GLN 211 Ca 0.32 -0.49 -0.08 0.00 0.02 0.00 0.00 55.36 55.13 3mr3 s GLN 211 Cb -0.18 -3.00 -0.01 0.00 1.00 0.00 0.00 33.01 30.82 3mr3 s GLN 211 CO 0.19 0.56 0.38 0.00 -2.12 0.00 0.00 175.29 174.30 3mr3 s SER 213 N -3.08 3.70 0.06 0.00 0.01 -0.56 -3.93 113.70 109.89 3mr3 s SER 213 Ca 0.28 -1.27 -0.16 0.00 1.31 0.00 0.00 55.95 56.12 3mr3 s SER 213 Cb 0.02 -0.35 0.03 0.00 0.21 0.00 0.00 66.02 65.92 3mr3 s SER 213 CO 0.11 -0.31 0.36 0.00 0.41 0.00 0.00 173.24 173.81 3mr3 s ALA 214 N -2.69 -0.84 -0.02 1.44 0.00 -1.01 -1.50 121.76 117.14 3mr3 s ALA 214 Ca 0.33 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.44 3mr3 s ALA 214 Cb 0.05 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 3mr3 s ALA 214 CO 0.17 -0.48 -0.24 0.20 0.00 0.00 0.00 175.76 175.41 3mr3 s GLY 215 N -2.23 1.17 -0.13 0.00 0.00 -0.19 -0.97 107.32 104.97 3mr3 s GLY 215 Ca -0.03 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.69 3mr3 s GLY 215 CO -0.05 -0.80 -0.16 -0.42 0.00 0.00 0.00 173.10 171.67 3mr3 s ILE 216 N -0.48 1.62 0.00 0.90 1.09 -0.08 -1.46 121.20 122.79 3mr3 s ILE 216 Ca 0.07 -0.68 0.00 0.00 -1.10 0.00 0.00 60.65 58.93 3mr3 s ILE 216 Cb -0.10 -1.49 0.00 0.00 -1.06 0.00 0.00 42.46 39.81 3mr3 s ILE 216 CO -0.00 0.47 0.00 -0.24 -0.10 0.00 0.00 174.94 175.06 3mr3 n SER 217 N 4.49 0.00 -0.39 3.58 2.88 -0.53 -0.88 113.62 122.77 3mr3 n SER 217 Ca -0.18 -0.40 0.12 0.00 -1.33 0.00 0.00 58.87 57.08 3mr3 n SER 217 Cb 0.51 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.22 3mr3 n SER 217 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3mr3 n HIS 218 N 0.00 0.00 -3.92 0.66 8.25 -1.26 -0.58 115.22 118.36 3mr3 n HIS 218 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 3mr3 n HIS 218 Cb 0.00 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 3mr3 n HIS 218 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3mr3 s ASN 219 N -2.42 -0.10 0.13 0.41 2.20 -1.26 -4.37 114.94 109.53 3mr3 s ASN 219 Ca 0.24 -0.84 -0.14 0.00 -0.94 0.00 0.00 52.86 51.17 3mr3 s ASN 219 Cb 0.19 0.68 -0.00 0.00 -2.00 0.00 0.00 41.25 40.12 3mr3 s ASN 219 CO 0.51 -1.30 1.62 0.11 -2.94 0.00 0.00 177.10 175.10 3mr3 h LYS 220 N 2.11 0.71 -0.39 3.55 1.57 -1.89 -1.57 116.57 120.66 3mr3 h LYS 220 Ca -0.24 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3mr3 h LYS 220 Cb 1.25 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 3mr3 h LYS 220 CO 0.31 0.74 0.23 0.28 -0.57 0.00 0.00 179.45 180.43 3mr3 h VAL 221 N 0.57 1.13 -0.25 0.50 2.07 -1.97 -0.34 116.25 117.97 3mr3 h VAL 221 Ca 0.13 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 3mr3 h VAL 221 Cb 0.36 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3mr3 h VAL 221 CO 0.01 0.13 -0.41 -0.07 0.02 0.00 0.00 177.57 177.25 3mr3 h LEU 222 N 0.50 0.63 -0.64 2.57 3.38 -1.94 -1.70 115.31 118.12 3mr3 h LEU 222 Ca 0.14 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3mr3 h LEU 222 Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3mr3 h LEU 222 CO -0.03 0.96 0.19 0.00 0.09 0.00 0.00 178.44 179.66 3mr3 h ALA 223 N 1.07 0.84 -0.31 1.53 0.00 -1.01 0.82 119.26 122.20 3mr3 h ALA 223 Ca 0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3mr3 h ALA 223 Cb 0.92 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3mr3 h ALA 223 CO 0.08 0.52 0.01 -0.22 0.00 0.00 0.00 179.25 179.64 3mr3 h LYS 224 N 0.93 0.55 -0.37 0.00 1.63 -0.94 -1.81 116.57 116.56 3mr3 h LYS 224 Ca 0.21 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3mr3 h LYS 224 Cb 0.31 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 3mr3 h LYS 224 CO -0.00 0.68 0.22 1.25 -3.45 0.00 0.00 179.45 178.14 3mr3 h LEU 225 N 0.35 0.45 -1.15 5.20 5.85 -1.13 -2.76 115.31 122.12 3mr3 h LEU 225 Ca 0.09 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3mr3 h LEU 225 Cb 0.42 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3mr3 h LEU 225 CO 0.01 0.38 0.58 0.00 -0.34 0.00 0.00 178.44 179.08 3mr3 h ALA 226 N 1.09 1.47 -0.57 1.25 0.00 -0.70 -2.84 119.26 118.96 3mr3 h ALA 226 Ca 0.13 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3mr3 h ALA 226 Cb 0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 3mr3 h ALA 226 CO -0.02 0.43 0.28 0.00 0.00 0.00 0.00 179.25 179.93 3mr3 n GLY 228 N -1.27 -1.27 0.21 0.00 0.00 -1.07 -3.86 105.19 97.93 3mr3 n GLY 228 Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3mr3 n GLY 228 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mr3 h LEU 229 N 0.00 0.17 -2.99 0.99 3.38 -1.41 -3.31 115.31 112.14 3mr3 h LEU 229 Ca 0.00 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3mr3 h LEU 229 Cb 0.39 -0.05 -0.25 0.00 0.09 0.00 0.00 40.66 40.85 3mr3 h LEU 229 CO 0.00 0.46 -0.84 0.59 0.09 0.00 0.00 178.44 178.74 3mr3 n ASN 230 N -4.15 1.25 -4.74 -0.43 3.02 -1.25 -5.08 115.26 103.87 3mr3 n ASN 230 Ca -0.01 -2.68 -0.37 0.00 -0.03 0.00 0.00 54.58 51.49 3mr3 n ASN 230 Cb 0.37 -0.38 0.05 0.00 -0.61 0.00 0.00 39.78 39.21 3mr3 n ASN 230 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mr3 s LYS 231 N -1.16 2.83 0.44 3.52 1.02 -1.25 -4.17 119.74 120.98 3mr3 s LYS 231 Ca 0.35 1.99 0.06 0.00 0.02 0.00 0.00 55.97 58.40 3mr3 s LYS 231 Cb 0.38 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.75 3mr3 s LYS 231 CO -0.13 -1.36 0.61 -1.25 -0.92 0.00 0.00 175.35 172.29 3mr3 s PRO 232 N -3.27 2.80 -1.46 -1.68 0.04 -1.26 -4.98 135.00 125.18 3mr3 s PRO 232 Ca 0.79 -1.12 -0.11 0.00 0.04 0.00 0.00 61.00 60.60 3mr3 s PRO 232 Cb -0.35 -2.71 0.07 0.00 0.04 0.00 0.00 34.50 31.55 3mr3 s PRO 232 CO 0.38 -0.33 0.76 -1.71 0.04 0.00 0.00 177.00 176.14 3mr3 n ASN 233 N -1.94 -4.67 -3.98 6.66 5.15 -1.25 -4.97 115.26 110.26 3mr3 n ASN 233 Ca 0.07 -0.58 -0.08 0.00 -0.60 0.00 0.00 54.58 53.39 3mr3 n ASN 233 Cb 0.59 -3.77 -0.08 0.00 -0.53 0.00 0.00 39.78 35.99 3mr3 n ASN 233 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3mr3 s ARG 234 N -6.28 0.83 0.12 1.20 1.81 -1.25 -4.97 118.95 110.39 3mr3 s ARG 234 Ca 0.53 -1.14 0.08 0.00 -1.72 0.00 0.00 55.73 53.48 3mr3 s ARG 234 Cb -0.26 0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.49 3mr3 s ARG 234 CO 0.65 -0.24 -0.19 1.14 -0.68 0.00 0.00 175.30 175.98 3mr3 s GLN 235 N -3.92 1.12 -0.04 3.54 -2.07 -0.75 -2.41 119.66 115.13 3mr3 s GLN 235 Ca 0.10 -1.21 0.03 0.00 -1.82 0.00 0.00 55.36 52.46 3mr3 s GLN 235 Cb 0.06 -1.29 0.01 0.00 -1.09 0.00 0.00 33.01 30.69 3mr3 s GLN 235 CO -0.07 0.29 -0.11 0.99 -1.32 0.00 0.00 175.29 175.07 3mr3 s THR 236 N -1.44 0.94 -0.27 3.63 2.01 -0.14 -0.68 115.64 119.69 3mr3 s THR 236 Ca 0.08 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 3mr3 s THR 236 Cb -0.09 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 3mr3 s THR 236 CO 0.05 0.29 0.17 -0.22 -0.69 0.00 0.00 174.62 174.22 3mr3 s LEU 237 N 0.30 3.97 -0.36 4.42 0.20 -0.02 -0.91 118.68 126.29 3mr3 s LEU 237 Ca -0.06 -0.01 -0.05 0.00 0.69 0.00 0.00 54.13 54.70 3mr3 s LEU 237 Cb -0.11 -2.10 0.06 0.00 -0.43 0.00 0.00 46.19 43.62 3mr3 s LEU 237 CO 0.01 -0.03 0.14 -0.69 -0.29 0.00 0.00 176.35 175.49 3mr3 s VAL 238 N 1.62 3.62 0.64 1.68 1.01 -0.06 -1.76 120.40 127.14 3mr3 s VAL 238 Ca 0.07 -1.42 -0.09 0.00 0.00 0.00 0.00 61.98 60.53 3mr3 s VAL 238 Cb -0.15 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 3mr3 s VAL 238 CO 0.09 -0.34 1.01 -0.94 0.00 0.00 0.00 175.10 174.92 3mr3 s SER 239 N 1.62 5.68 0.29 3.32 1.04 -1.26 -4.43 113.70 119.95 3mr3 s SER 239 Ca 0.01 1.04 -0.01 0.00 0.48 0.00 0.00 55.95 57.47 3mr3 s SER 239 Cb -0.21 -1.98 0.46 0.00 0.10 0.00 0.00 66.02 64.40 3mr3 s SER 239 CO 0.00 -1.13 1.93 -0.74 0.98 0.00 0.00 173.24 174.29 3mr3 h HIS 240 N -0.40 1.08 0.00 5.02 2.76 -1.96 -2.36 115.15 119.28 3mr3 h HIS 240 Ca -0.45 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 57.70 3mr3 h HIS 240 Cb 1.24 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 3mr3 h HIS 240 CO 0.52 0.62 -0.23 0.78 -1.30 0.00 0.00 177.93 178.33 3mr3 h GLY 241 N 1.11 0.00 2.00 5.26 0.00 -1.99 -2.75 103.07 106.69 3mr3 h GLY 241 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3mr3 h GLY 241 CO -0.11 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.29 3mr3 n SER 242 N -3.87 0.31 -0.02 0.19 3.41 -0.89 -4.21 113.62 108.54 3mr3 n SER 242 Ca -0.02 0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 59.02 3mr3 n SER 242 Cb 0.32 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 63.58 3mr3 n SER 242 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3mr3 h VAL 243 N 0.00 1.17 -0.38 -3.33 2.07 -1.55 -1.76 116.25 112.48 3mr3 h VAL 243 Ca 0.00 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.07 3mr3 h VAL 243 Cb 0.47 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3mr3 h VAL 243 CO 0.00 0.15 0.02 -0.65 0.02 0.00 0.00 177.57 177.10 3mr3 h PRO 244 N -0.04 0.12 -0.18 1.57 0.11 -1.80 0.27 132.00 132.05 3mr3 h PRO 244 Ca 0.03 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.97 3mr3 h PRO 244 Cb 0.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3mr3 h PRO 244 CO -0.00 0.08 -0.56 1.96 -0.21 0.00 0.00 178.00 179.27 3mr3 h GLN 245 N 0.12 0.54 -0.49 1.05 1.08 -1.83 -1.69 115.11 113.89 3mr3 h GLN 245 Ca 0.18 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 3mr3 h GLN 245 Cb 0.25 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 3mr3 h GLN 245 CO -0.29 0.95 0.16 1.25 -0.95 0.00 0.00 178.83 179.95 3mr3 h LEU 246 N 0.41 0.71 -0.28 1.46 5.85 -0.78 -2.70 115.31 119.98 3mr3 h LEU 246 Ca 0.01 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3mr3 h LEU 246 Cb 1.11 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3mr3 h LEU 246 CO 0.10 0.72 0.00 -0.26 -0.34 0.00 0.00 178.44 178.66 3mr3 h PHE 247 N 0.65 0.00 0.00 1.25 0.05 -0.42 -3.26 116.94 115.21 3mr3 h PHE 247 Ca 0.16 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.95 3mr3 h PHE 247 Cb 0.26 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.21 3mr3 h PHE 247 CO 0.01 0.00 -0.01 0.66 -0.18 0.00 0.00 178.31 178.79 3mr3 h SER 248 N 0.00 0.00 0.00 2.17 4.64 -0.95 -1.08 113.55 118.33 3mr3 h SER 248 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3mr3 h SER 248 Cb 0.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 3mr3 h SER 248 CO 0.00 0.01 -0.24 0.00 -0.87 0.00 0.00 176.83 175.73 3mr3 n GLN 249 N -4.53 0.86 -3.12 4.77 6.02 -1.25 -4.79 117.38 115.34 3mr3 n GLN 249 Ca -0.03 -2.14 -0.42 0.00 -0.01 0.00 0.00 57.00 54.40 3mr3 n GLN 249 Cb 0.10 -1.14 -0.07 0.00 1.02 0.00 0.00 30.24 30.15 3mr3 n GLN 249 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3mr3 s MET 250 N -1.91 3.59 0.32 -1.09 1.75 -1.08 -4.99 119.30 115.89 3mr3 s MET 250 Ca 0.23 -0.06 -0.29 0.00 -1.25 0.00 0.00 55.69 54.32 3mr3 s MET 250 Cb 0.21 -3.84 -0.12 0.00 2.84 0.00 0.00 34.83 33.92 3mr3 s MET 250 CO 0.00 -0.79 1.53 -2.30 -0.65 0.00 0.00 175.02 172.82 3mr3 n PRO 251 N 6.06 2.61 -0.29 4.11 -0.02 -1.26 -0.44 135.00 145.77 3mr3 n PRO 251 Ca -0.02 0.92 0.18 0.00 -2.02 0.00 0.00 63.50 62.57 3mr3 n PRO 251 Cb 0.48 -2.67 0.47 0.00 -0.02 0.00 0.00 33.50 31.76 3mr3 n PRO 251 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3mr3 h ILE 252 N 3.16 0.65 0.00 4.25 2.04 -1.76 -1.24 117.51 124.61 3mr3 h ILE 252 Ca -0.48 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3mr3 h ILE 252 Cb 1.24 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3mr3 h ILE 252 CO 0.74 0.09 0.00 -2.11 0.00 0.00 0.00 178.15 176.86 3mr3 n ARG 253 N -4.58 0.13 0.23 2.37 1.85 -1.26 -2.30 116.66 113.10 3mr3 n ARG 253 Ca 0.21 0.49 0.13 0.00 -1.00 0.00 0.00 57.85 57.68 3mr3 n ARG 253 Cb 0.71 -1.83 0.23 0.00 -1.05 0.00 0.00 32.46 30.52 3mr3 n ARG 253 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3mr3 h LYS 254 N 0.00 0.00 -6.60 2.89 1.79 -1.53 -3.31 116.57 109.81 3mr3 h LYS 254 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 3mr3 h LYS 254 Cb 0.18 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 3mr3 h LYS 254 CO 0.00 0.00 0.32 0.42 -1.08 0.00 0.00 179.45 179.11 3mr3 s ILE 255 N -3.26 4.35 0.21 1.86 -1.09 -0.97 -4.93 121.20 117.37 3mr3 s ILE 255 Ca 0.06 2.00 -0.32 0.00 -2.23 0.00 0.00 60.65 60.17 3mr3 s ILE 255 Cb 0.06 -4.29 -0.12 0.00 -1.58 0.00 0.00 42.46 36.52 3mr3 s ILE 255 CO 0.65 0.41 1.67 -1.14 -1.23 0.00 0.00 174.94 175.31 3mr3 n ARG 256 N 2.20 2.63 -0.16 2.79 0.63 -1.26 -1.28 116.66 122.21 3mr3 n ARG 256 Ca -0.00 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.87 3mr3 n ARG 256 Cb 0.48 -2.77 0.00 0.00 0.45 0.00 0.00 32.46 30.63 3mr3 n ARG 256 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3mr3 n SER 257 N 3.61 0.00 -0.76 6.15 3.41 -1.26 -4.89 113.62 119.88 3mr3 n SER 257 Ca 0.15 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.83 3mr3 n SER 257 Cb 0.34 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.47 3mr3 n SER 257 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mr3 n LEU 258 N 0.00 3.11 -0.01 1.04 4.77 -0.40 -4.53 117.00 120.98 3mr3 n LEU 258 Ca 0.00 -2.03 0.15 0.00 -0.03 0.00 0.00 56.01 54.10 3mr3 n LEU 258 Cb 0.00 -0.28 0.90 0.00 -2.33 0.00 0.00 43.42 41.71 3mr3 n LEU 258 CO 0.00 0.77 1.08 0.61 -1.33 0.00 0.00 177.39 178.51 3mr3 n GLY 259 N 0.66 -0.97 0.00 -0.72 0.00 -1.25 -3.53 105.19 99.38 3mr3 n GLY 259 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3mr3 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr3 n GLY 260 N 0.98 4.84 0.25 -0.02 0.00 -1.26 -4.95 105.19 105.03 3mr3 n GLY 260 Ca 0.23 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.58 3mr3 n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mr3 h LYS 261 N 0.00 0.77 -0.28 1.61 1.57 -1.93 -1.77 116.57 116.53 3mr3 h LYS 261 Ca 0.00 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3mr3 h LYS 261 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3mr3 h LYS 261 CO 0.00 0.51 0.13 1.25 -0.57 0.00 0.00 179.45 180.77 3mr3 h LEU 262 N 0.79 0.18 -0.70 2.94 5.85 -1.89 -0.30 115.31 122.19 3mr3 h LEU 262 Ca 0.24 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.01 3mr3 h LEU 262 Cb -0.03 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3mr3 h LEU 262 CO -0.08 0.14 0.44 1.23 -0.34 0.00 0.00 178.44 179.83 3mr3 h GLY 263 N 0.28 1.00 1.03 3.75 0.00 -1.54 0.22 103.07 107.81 3mr3 h GLY 263 Ca 0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3mr3 h GLY 263 CO -0.09 0.29 0.32 0.00 0.00 0.00 0.00 176.54 177.06 3mr3 h ALA 264 N 1.29 0.98 -0.65 3.60 0.00 -0.89 -2.48 119.26 121.11 3mr3 h ALA 264 Ca 0.28 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3mr3 h ALA 264 Cb 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3mr3 h ALA 264 CO -0.10 0.58 0.10 1.03 0.00 0.00 0.00 179.25 180.87 3mr3 h SER 265 N 1.08 1.04 -0.57 0.00 0.87 -0.23 -0.32 113.55 115.42 3mr3 h SER 265 Ca 0.25 -0.26 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 3mr3 h SER 265 Cb 0.19 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 61.82 3mr3 h SER 265 CO -0.02 1.03 0.28 0.58 -0.53 0.00 0.00 176.83 178.17 3mr3 h VAL 266 N 1.00 0.93 -0.09 2.23 2.07 -0.68 0.25 116.25 121.95 3mr3 h VAL 266 Ca 0.20 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3mr3 h VAL 266 Cb 0.44 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3mr3 h VAL 266 CO 0.01 0.10 0.01 0.40 0.02 0.00 0.00 177.57 178.11 3mr3 h ILE 267 N 0.54 1.23 -0.08 4.57 2.04 -1.12 -2.18 117.51 122.50 3mr3 h ILE 267 Ca 0.26 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3mr3 h ILE 267 Cb 0.18 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3mr3 h ILE 267 CO -0.19 0.20 -0.03 -0.08 0.00 0.00 0.00 178.15 178.05 3mr3 h GLU 268 N -0.09 0.17 -0.33 2.37 4.57 -0.79 0.12 114.58 120.60 3mr3 h GLU 268 Ca 0.03 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 57.97 3mr3 h GLU 268 Cb 0.30 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3mr3 h GLU 268 CO 0.00 0.52 -0.46 0.82 -1.18 0.00 0.00 179.01 178.72 3mr3 h ILE 269 N -0.19 1.27 0.00 2.32 2.04 -0.60 -3.26 117.51 119.10 3mr3 h ILE 269 Ca 0.02 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.24 3mr3 h ILE 269 Cb 0.47 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3mr3 h ILE 269 CO 0.01 0.54 -1.01 0.18 0.00 0.00 0.00 178.15 177.87 3mr3 n LEU 270 N -4.05 0.63 -1.86 1.44 4.77 -0.82 -4.98 117.00 112.13 3mr3 n LEU 270 Ca -0.03 0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 3mr3 n LEU 270 Cb 0.58 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.60 3mr3 n LEU 270 CO 0.49 -0.01 0.09 0.61 -1.33 0.00 0.00 177.39 177.24 3mr3 n GLY 271 N 1.33 0.22 3.50 -0.72 0.00 0.41 -5.04 105.19 104.89 3mr3 n GLY 271 Ca 0.02 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 3mr3 n GLY 271 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mr3 s ILE 272 N -3.08 1.58 0.00 -0.61 -4.36 -1.11 -5.06 121.20 108.56 3mr3 s ILE 272 Ca 0.25 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 3mr3 s ILE 272 Cb -0.11 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.83 3mr3 s ILE 272 CO 0.30 -0.08 0.00 -0.62 0.24 0.00 0.00 174.94 174.79 3mr3 n GLU 273 N -0.75 2.84 -4.27 0.37 1.02 -1.26 -4.51 120.64 114.08 3mr3 n GLU 273 Ca -0.04 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.81 3mr3 n GLU 273 Cb 0.66 -0.89 -0.10 0.00 -0.02 0.00 0.00 31.44 31.09 3mr3 n GLU 273 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3mr3 s TYR 274 N -1.75 2.64 0.27 -0.32 4.12 -1.26 -2.29 117.35 118.76 3mr3 s TYR 274 Ca 0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 57.07 56.86 3mr3 s TYR 274 Cb 0.00 -1.36 0.42 0.00 -1.52 0.00 0.00 41.96 39.50 3mr3 s TYR 274 CO 0.00 0.44 1.88 1.98 0.02 0.00 0.00 175.55 179.87 3mr3 h MET 275 N 3.44 1.12 0.00 -0.62 1.85 -0.78 -2.03 114.93 117.90 3mr3 h MET 275 Ca -0.49 -0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 58.52 3mr3 h MET 275 Cb 1.18 -0.25 -0.00 0.00 0.43 0.00 0.00 31.60 32.95 3mr3 h MET 275 CO 0.51 0.74 -0.09 0.78 -0.40 0.00 0.00 176.91 178.45 3mr3 h GLY 276 N 1.15 0.00 2.00 1.39 0.00 -1.47 -2.20 103.07 103.95 3mr3 h GLY 276 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3mr3 h GLY 276 CO -0.18 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.19 3mr3 h GLU 277 N 0.00 0.00 0.00 4.80 5.08 -1.63 -1.98 114.58 120.85 3mr3 h GLU 277 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mr3 h GLU 277 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3mr3 h GLU 277 CO 0.01 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 177.95 3mr3 h LEU 278 N 0.00 0.00 -1.78 1.33 3.38 -1.53 -2.95 115.31 113.75 3mr3 h LEU 278 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mr3 h LEU 278 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3mr3 h LEU 278 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.24 3mr3 h THR 279 N 0.00 0.00 0.00 0.22 1.35 -1.57 -2.76 112.91 110.15 3mr3 h THR 279 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3mr3 h THR 279 Cb 0.34 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3mr3 h THR 279 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3mr3 n GLN 280 N -2.77 0.09 -3.93 4.72 10.64 -1.12 -4.81 117.38 120.20 3mr3 n GLN 280 Ca -0.01 0.16 -0.32 0.00 -1.83 0.00 0.00 57.00 55.00 3mr3 n GLN 280 Cb 0.17 -1.62 -0.05 0.00 -0.86 0.00 0.00 30.24 27.88 3mr3 n GLN 280 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3mr3 s PHE 281 N -3.06 3.51 0.65 2.61 0.08 -1.04 -5.10 117.98 115.63 3mr3 s PHE 281 Ca 0.11 0.28 -0.11 0.00 0.12 0.00 0.00 56.93 57.33 3mr3 s PHE 281 Cb 0.14 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.79 3mr3 s PHE 281 CO 0.48 0.61 1.05 0.95 -0.10 0.00 0.00 175.22 178.20 3mr3 s THR 282 N -1.42 4.32 0.20 0.64 -4.23 -1.26 -4.91 115.64 108.98 3mr3 s THR 282 Ca 0.31 0.75 -0.11 0.00 -1.18 0.00 0.00 61.69 61.47 3mr3 s THR 282 Cb -0.13 -3.70 0.12 0.00 1.34 0.00 0.00 72.50 70.13 3mr3 s THR 282 CO 0.24 -0.99 1.83 -0.08 -0.54 0.00 0.00 174.62 175.08 3mr3 h GLU 283 N -0.47 0.73 -0.63 3.99 4.81 -1.98 -1.93 114.58 119.11 3mr3 h GLU 283 Ca -0.44 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 3mr3 h GLU 283 Cb 1.21 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 3mr3 h GLU 283 CO 0.62 0.48 0.34 0.77 -0.73 0.00 0.00 179.01 180.49 3mr3 h SER 284 N 0.75 0.77 -0.37 1.04 0.02 -1.93 -0.11 113.55 113.72 3mr3 h SER 284 Ca 0.26 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 3mr3 h SER 284 Cb 0.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3mr3 h SER 284 CO -0.11 0.62 0.09 1.56 -1.14 0.00 0.00 176.83 177.85 3mr3 h GLN 285 N 0.87 0.59 -0.44 3.45 4.20 -1.78 -0.86 115.11 121.14 3mr3 h GLN 285 Ca 0.22 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 3mr3 h GLN 285 Cb 0.02 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3mr3 h GLN 285 CO -0.04 0.63 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.55 3mr3 h LEU 286 N 0.45 0.82 -1.04 1.46 3.38 -0.88 -2.59 115.31 116.91 3mr3 h LEU 286 Ca 0.12 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 3mr3 h LEU 286 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3mr3 h LEU 286 CO 0.00 0.96 -0.22 1.56 0.09 0.00 0.00 178.44 180.83 3mr3 h GLN 287 N 0.73 0.43 -0.69 1.13 4.20 -0.86 -1.24 115.11 118.82 3mr3 h GLN 287 Ca 0.12 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3mr3 h GLN 287 Cb 0.63 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 3mr3 h GLN 287 CO 0.04 0.63 0.21 0.66 -0.67 0.00 0.00 178.83 179.70 3mr3 h SER 288 N 0.39 1.02 0.34 1.46 4.64 -0.77 0.12 113.55 120.75 3mr3 h SER 288 Ca 0.06 -0.21 -0.32 0.00 -0.47 0.00 0.00 61.79 60.85 3mr3 h SER 288 Cb 0.60 -0.27 0.03 0.00 -0.31 0.00 0.00 62.40 62.46 3mr3 h SER 288 CO 0.04 0.96 -1.43 0.45 -0.87 0.00 0.00 176.83 175.98 3mr3 h HIS 289 N 1.02 0.89 -0.03 4.77 3.86 -1.34 -3.40 115.15 120.92 3mr3 h HIS 289 Ca 0.22 -0.65 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 3mr3 h HIS 289 Cb 0.31 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3mr3 h HIS 289 CO 0.02 1.50 0.00 1.19 0.86 0.00 0.00 177.93 181.51 3mr3 n PHE 290 N -3.68 0.04 0.00 2.45 3.72 -0.48 -5.11 117.46 114.40 3mr3 n PHE 290 Ca -0.15 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 3mr3 n PHE 290 Cb 1.09 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 3mr3 n PHE 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mr3 n GLY 291 N -0.02 1.92 0.16 1.37 0.00 0.43 -4.29 105.19 104.76 3mr3 n GLY 291 Ca 0.02 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 3mr3 n GLY 291 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mr3 h GLU 292 N 0.00 -0.15 -0.08 1.61 4.39 -1.92 0.18 114.58 118.62 3mr3 h GLU 292 Ca 0.00 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3mr3 h GLU 292 Cb 0.00 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3mr3 h GLU 292 CO 0.00 -0.10 -0.09 0.87 -1.16 0.00 0.00 179.01 178.53 3mr3 h LYS 293 N -0.15 0.20 -0.66 2.33 1.57 -1.93 -2.23 116.57 115.70 3mr3 h LYS 293 Ca 0.06 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3mr3 h LYS 293 Cb 0.24 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3mr3 h LYS 293 CO -0.16 0.65 0.13 -0.91 -0.57 0.00 0.00 179.45 178.59 3mr3 h ASN 294 N -0.23 1.02 -0.43 0.86 2.35 -1.73 -1.70 115.58 115.72 3mr3 h ASN 294 Ca 0.01 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 3mr3 h ASN 294 Cb 0.62 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 3mr3 h ASN 294 CO 0.02 1.00 0.19 1.23 -1.65 0.00 0.00 177.43 178.22 3mr3 h GLY 295 N 1.06 0.67 1.05 2.83 0.00 -0.64 0.74 103.07 108.77 3mr3 h GLY 295 Ca 0.21 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 3mr3 h GLY 295 CO 0.01 0.33 0.07 1.76 0.00 0.00 0.00 176.54 178.71 3mr3 h SER 296 N 0.55 0.99 -0.42 0.19 0.02 -1.30 -1.66 113.55 111.91 3mr3 h SER 296 Ca 0.14 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 3mr3 h SER 296 Cb 0.16 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3mr3 h SER 296 CO -0.01 1.01 0.19 -0.25 -1.14 0.00 0.00 176.83 176.63 3mr3 h TRP 297 N 0.92 0.61 -0.63 3.45 7.01 -1.09 -2.38 115.95 123.84 3mr3 h TRP 297 Ca 0.18 -0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.07 3mr3 h TRP 297 Cb 0.47 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 3mr3 h TRP 297 CO 0.03 0.51 0.08 -0.07 -2.79 0.00 0.00 178.44 176.20 3mr3 h LEU 298 N 0.53 1.02 -0.28 0.65 3.38 -0.77 0.17 115.31 120.02 3mr3 h LEU 298 Ca 0.14 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3mr3 h LEU 298 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3mr3 h LEU 298 CO -0.02 1.04 0.16 0.22 0.09 0.00 0.00 178.44 179.93 3mr3 h TYR 299 N 0.97 0.29 -0.10 1.13 3.20 -1.12 -2.15 116.97 119.20 3mr3 h TYR 299 Ca 0.19 0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.84 3mr3 h TYR 299 Cb 0.46 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.65 3mr3 h TYR 299 CO 0.03 0.17 -0.85 0.00 -1.64 0.00 0.00 178.16 175.87 3mr3 h ALA 300 N 1.13 0.30 -0.74 1.82 0.00 -1.33 -3.34 119.26 117.10 3mr3 h ALA 300 Ca 0.11 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3mr3 h ALA 300 Cb 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3mr3 h ALA 300 CO -0.06 0.70 0.25 1.98 0.00 0.00 0.00 179.25 182.12 3mr3 h MET 301 N 0.46 1.13 0.00 0.00 1.85 -0.24 -0.58 114.93 117.54 3mr3 h MET 301 Ca -0.07 -0.23 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 3mr3 h MET 301 Cb 1.48 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 33.34 3mr3 h MET 301 CO 0.17 0.95 0.00 0.00 -0.40 0.00 0.00 176.91 177.63 3mr3 n ARG 303 N -1.79 2.48 -0.90 0.00 1.74 -0.60 -4.76 116.66 112.83 3mr3 n ARG 303 Ca 0.02 -2.29 0.00 0.00 -0.77 0.00 0.00 57.85 54.82 3mr3 n ARG 303 Cb 0.17 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3mr3 n ARG 303 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mr3 n GLY 304 N 1.43 0.48 3.42 -0.13 0.00 0.48 -5.00 105.19 105.87 3mr3 n GLY 304 Ca 0.19 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3mr3 n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mr3 s ILE 305 N -2.00 3.31 -0.11 -0.61 1.01 -0.33 -4.90 121.20 117.57 3mr3 s ILE 305 Ca 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.93 3mr3 s ILE 305 Cb 0.00 -2.40 0.04 0.00 0.01 0.00 0.00 42.46 40.10 3mr3 s ILE 305 CO 0.00 0.52 0.38 -0.70 0.00 0.00 0.00 174.94 175.14 3mr3 s GLU 306 N 0.24 0.52 0.00 2.79 2.12 -1.26 -2.33 118.70 120.77 3mr3 s GLU 306 Ca -0.07 0.37 0.05 0.00 0.36 0.00 0.00 54.97 55.68 3mr3 s GLU 306 Cb -0.15 0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.53 3mr3 s GLU 306 CO 0.05 -0.09 0.68 0.72 -0.54 0.00 0.00 175.26 176.07 3mr3 n HIS 307 N 2.47 0.01 -1.68 5.30 8.25 -1.26 -4.82 115.22 123.49 3mr3 n HIS 307 Ca -0.15 -0.04 -0.52 0.00 -0.26 0.00 0.00 57.72 56.75 3mr3 n HIS 307 Cb 0.57 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.62 3mr3 n HIS 307 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3mr3 n ASP 308 N 0.24 2.79 -4.80 0.41 4.64 -1.26 -4.90 116.55 113.66 3mr3 n ASP 308 Ca 0.03 1.04 -0.33 0.00 -1.38 0.00 0.00 54.79 54.15 3mr3 n ASP 308 Cb 0.13 -1.27 -0.00 0.00 -1.04 0.00 0.00 41.12 38.94 3mr3 n ASP 308 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3mr3 s PRO 309 N 3.11 3.45 -0.51 -0.67 0.04 -1.26 -4.67 135.00 134.50 3mr3 s PRO 309 Ca 0.92 1.24 -0.28 0.00 0.04 0.00 0.00 61.00 62.92 3mr3 s PRO 309 Cb -0.87 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 31.64 3mr3 s PRO 309 CO 0.55 -0.70 1.33 0.08 0.04 0.00 0.00 177.00 178.30 3mr3 s VAL 310 N -2.34 3.93 0.24 -0.36 1.01 -1.26 -4.99 120.40 116.62 3mr3 s VAL 310 Ca 0.64 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 63.20 3mr3 s VAL 310 Cb -0.16 -4.46 -0.09 0.00 0.00 0.00 0.00 36.38 31.68 3mr3 s VAL 310 CO 0.33 -1.07 1.05 -0.54 0.00 0.00 0.00 175.10 174.87 3mr3 s LYS 311 N 5.08 4.70 -1.26 2.72 1.02 -1.26 -4.91 119.74 125.83 3mr3 s LYS 311 Ca 0.52 1.68 -0.19 0.00 0.02 0.00 0.00 55.97 58.00 3mr3 s LYS 311 Cb -0.10 -3.24 0.01 0.00 -0.52 0.00 0.00 37.83 33.98 3mr3 s LYS 311 CO 0.28 0.27 1.85 -0.35 -0.92 0.00 0.00 175.35 176.49 3mr3 n PRO 312 N 1.59 2.63 -3.56 -1.68 -0.04 -1.26 -3.56 135.00 129.13 3mr3 n PRO 312 Ca -0.00 -2.91 -0.15 0.00 -0.04 0.00 0.00 63.50 60.39 3mr3 n PRO 312 Cb 0.46 -3.51 -0.13 0.00 -0.04 0.00 0.00 33.50 30.28 3mr3 n PRO 312 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3mr3 s ARG 313 N 4.79 0.18 0.00 0.54 3.52 -1.06 -5.01 118.95 121.92 3mr3 s ARG 313 Ca 0.57 0.49 0.07 0.00 -0.13 0.00 0.00 55.73 56.73 3mr3 s ARG 313 Cb 0.04 -0.59 0.04 0.00 -1.56 0.00 0.00 34.95 32.88 3mr3 s ARG 313 CO 0.08 -0.48 0.67 0.00 -0.81 0.00 0.00 175.30 174.75 3mr3 n GLN 314 N 5.34 0.81 -4.36 5.12 10.64 -1.26 -0.39 117.38 133.28 3mr3 n GLN 314 Ca -0.05 -0.80 -0.32 0.00 -1.83 0.00 0.00 57.00 53.99 3mr3 n GLN 314 Cb 0.50 -1.09 -0.10 0.00 -0.86 0.00 0.00 30.24 28.69 3mr3 n GLN 314 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3mr3 s LEU 315 N -0.90 3.37 0.58 2.61 1.43 -1.26 -4.72 118.68 119.79 3mr3 s LEU 315 Ca 0.08 -0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 52.92 3mr3 s LEU 315 Cb 0.06 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3mr3 s LEU 315 CO 0.12 0.28 1.24 -2.84 0.23 0.00 0.00 176.35 175.39 3mr3 s PRO 316 N -1.47 2.99 0.07 1.29 0.02 -1.26 -4.93 135.00 131.70 3mr3 s PRO 316 Ca 0.18 1.92 0.24 0.00 0.02 0.00 0.00 61.00 63.37 3mr3 s PRO 316 Cb -0.11 -2.00 0.40 0.00 0.02 0.00 0.00 34.50 32.81 3mr3 s PRO 316 CO 0.09 -1.22 1.34 1.63 -0.33 0.00 0.00 177.00 178.51 3mr3 n LYS 317 N -1.47 0.19 -4.09 5.54 5.02 -1.26 -4.89 118.16 117.19 3mr3 n LYS 317 Ca 0.13 0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.37 3mr3 n LYS 317 Cb 0.49 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 3mr3 n LYS 317 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mr3 s THR 318 N -3.11 0.40 -0.18 -0.18 -4.23 -1.26 -4.46 115.64 102.62 3mr3 s THR 318 Ca 0.08 -1.54 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3mr3 s THR 318 Cb 0.15 -1.16 0.05 0.00 1.34 0.00 0.00 72.50 72.88 3mr3 s THR 318 CO 0.72 -0.75 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.41 3mr3 s ILE 319 N -2.90 0.83 0.15 2.99 1.01 -0.74 -4.98 121.20 117.57 3mr3 s ILE 319 Ca 0.01 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.09 3mr3 s ILE 319 Cb 0.00 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 3mr3 s ILE 319 CO -0.05 -0.05 -0.10 -0.83 0.00 0.00 0.00 174.94 173.92 3mr3 s GLY 320 N 1.73 1.10 -0.04 6.18 0.00 -1.26 -0.10 107.32 114.94 3mr3 s GLY 320 Ca -0.01 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.23 3mr3 s GLY 320 CO -0.07 -1.60 -0.10 0.00 0.00 0.00 0.00 173.10 171.33 3mr3 s SER 322 N 0.34 -0.05 -0.13 0.00 0.15 -1.26 -0.54 113.70 112.22 3mr3 s SER 322 Ca -0.06 -0.09 -0.08 0.00 0.70 0.00 0.00 55.95 56.41 3mr3 s SER 322 Cb -0.11 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.49 3mr3 s SER 322 CO 0.01 -0.38 0.31 -0.75 1.20 0.00 0.00 173.24 173.63 3mr3 s LYS 323 N -1.31 0.31 0.23 5.44 2.20 -0.36 -4.94 119.74 121.31 3mr3 s LYS 323 Ca -0.14 0.55 -0.16 0.00 -0.36 0.00 0.00 55.97 55.86 3mr3 s LYS 323 Cb -0.07 0.02 -0.08 0.00 -1.51 0.00 0.00 37.83 36.20 3mr3 s LYS 323 CO 0.02 -0.11 0.67 -0.80 -0.36 0.00 0.00 175.35 174.77 3mr3 s ASN 324 N 0.84 6.90 -0.51 1.43 0.01 -1.26 -1.44 114.94 120.90 3mr3 s ASN 324 Ca -0.06 1.26 0.06 0.00 -0.71 0.00 0.00 52.86 53.41 3mr3 s ASN 324 Cb -0.07 -2.36 0.21 0.00 0.41 0.00 0.00 41.25 39.44 3mr3 s ASN 324 CO -0.06 -0.01 0.50 0.49 -1.51 0.00 0.00 177.10 176.51 3mr3 n PHE 325 N 0.42 0.98 -1.99 2.20 3.01 0.15 -4.93 117.46 117.30 3mr3 n PHE 325 Ca -0.01 -3.75 -0.36 0.00 1.01 0.00 0.00 57.45 54.33 3mr3 n PHE 325 Cb 0.52 -0.25 0.04 0.00 -0.01 0.00 0.00 39.48 39.78 3mr3 n PHE 325 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3mr3 s PRO 326 N -1.09 2.94 2.38 -1.08 0.04 -1.26 -2.81 135.00 134.11 3mr3 s PRO 326 Ca 0.33 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3mr3 s PRO 326 Cb 0.08 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.70 3mr3 s PRO 326 CO -0.13 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.08 3mr3 n GLY 327 N 0.54 2.79 0.27 0.56 0.00 -1.26 -1.27 105.19 106.83 3mr3 n GLY 327 Ca 0.14 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.54 3mr3 n GLY 327 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mr3 h LYS 328 N 0.00 0.00 -0.03 1.61 3.64 -2.03 -2.84 116.57 116.91 3mr3 h LYS 328 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3mr3 h LYS 328 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3mr3 h LYS 328 CO 0.00 0.10 0.00 0.25 -2.27 0.00 0.00 179.45 177.53 3mr3 n THR 329 N -3.62 0.04 -1.66 1.00 -2.24 -0.40 -4.91 114.28 102.49 3mr3 n THR 329 Ca -0.02 -0.11 -0.45 0.00 -2.27 0.00 0.00 64.05 61.20 3mr3 n THR 329 Cb 0.22 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 3mr3 n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mr3 n ALA 330 N -0.48 0.86 -1.91 6.98 0.00 -1.08 -4.75 120.51 120.14 3mr3 n ALA 330 Ca 0.18 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.61 3mr3 n ALA 330 Cb 0.18 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 3mr3 n ALA 330 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mr3 s LEU 331 N 0.00 4.37 0.00 0.00 1.43 -0.55 -4.69 118.68 119.24 3mr3 s LEU 331 Ca 0.66 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 56.31 3mr3 s LEU 331 Cb -0.66 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 41.99 3mr3 s LEU 331 CO 0.53 -0.88 0.38 0.00 0.23 0.00 0.00 176.35 176.61 3mr3 n ALA 332 N 5.15 1.83 -2.67 4.21 0.00 -1.26 -1.02 120.51 126.74 3mr3 n ALA 332 Ca 0.15 -0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.02 3mr3 n ALA 332 Cb 0.40 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.72 3mr3 n ALA 332 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3mr3 s THR 333 N -0.02 1.08 0.19 0.00 -4.23 -1.26 -0.67 115.64 110.73 3mr3 s THR 333 Ca 0.00 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.32 3mr3 s THR 333 Cb 0.00 -1.00 0.11 0.00 1.34 0.00 0.00 72.50 72.95 3mr3 s THR 333 CO 0.00 -0.08 1.78 -0.09 -0.54 0.00 0.00 174.62 175.69 3mr3 h ARG 334 N 4.74 0.52 -0.38 3.99 2.43 -1.50 -0.59 114.38 123.60 3mr3 h ARG 334 Ca -0.39 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.70 3mr3 h ARG 334 Cb 1.18 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3mr3 h ARG 334 CO 0.43 0.34 0.03 0.93 -1.51 0.00 0.00 179.97 180.19 3mr3 h GLU 335 N 0.54 0.58 -0.40 0.20 4.39 -1.95 -1.21 114.58 116.73 3mr3 h GLU 335 Ca 0.26 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 3mr3 h GLU 335 Cb 0.20 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3mr3 h GLU 335 CO -0.20 0.58 0.09 0.37 -1.16 0.00 0.00 179.01 178.70 3mr3 h GLN 336 N 0.56 0.64 -0.62 2.33 4.15 -1.62 -0.47 115.11 120.08 3mr3 h GLN 336 Ca 0.12 -0.16 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 3mr3 h GLN 336 Cb 0.31 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 3mr3 h GLN 336 CO 0.01 0.67 0.20 0.28 -1.93 0.00 0.00 178.83 178.05 3mr3 h VAL 337 N 0.50 1.24 -0.36 2.39 2.07 -0.78 -2.60 116.25 118.71 3mr3 h VAL 337 Ca 0.12 -0.82 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 3mr3 h VAL 337 Cb 0.32 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3mr3 h VAL 337 CO 0.00 0.32 -0.24 1.56 0.02 0.00 0.00 177.57 179.23 3mr3 h GLN 338 N 0.89 0.73 -0.42 1.57 4.20 -1.03 -1.46 115.11 119.59 3mr3 h GLN 338 Ca 0.20 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 3mr3 h GLN 338 Cb 0.28 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3mr3 h GLN 338 CO -0.01 0.90 0.08 2.35 -0.67 0.00 0.00 178.83 181.48 3mr3 h TRP 339 N 0.63 0.74 -0.16 2.96 7.01 -0.94 -2.17 115.95 124.02 3mr3 h TRP 339 Ca 0.09 -0.10 -0.13 0.00 2.11 0.00 0.00 58.89 60.86 3mr3 h TRP 339 Cb 0.74 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 3mr3 h TRP 339 CO 0.04 0.70 -0.47 -1.49 -2.79 0.00 0.00 178.44 174.43 3mr3 h TRP 340 N 0.56 0.49 -0.22 2.65 4.06 -1.34 -2.17 115.95 119.97 3mr3 h TRP 340 Ca 0.13 -0.15 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 3mr3 h TRP 340 Cb 0.35 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.40 3mr3 h TRP 340 CO 0.02 0.80 -0.03 -0.07 -3.56 0.00 0.00 178.44 175.61 3mr3 h LEU 341 N 0.33 0.31 -0.39 -4.49 3.38 -1.12 -1.56 115.31 111.77 3mr3 h LEU 341 Ca 0.02 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 3mr3 h LEU 341 Cb 0.95 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 3mr3 h LEU 341 CO 0.08 0.39 -0.46 0.25 0.09 0.00 0.00 178.44 178.79 3mr3 h LEU 342 N 0.33 0.93 -0.30 1.67 5.85 -1.02 0.10 115.31 122.87 3mr3 h LEU 342 Ca 0.07 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3mr3 h LEU 342 Cb 0.27 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3mr3 h LEU 342 CO 0.01 1.25 0.11 1.56 -0.34 0.00 0.00 178.44 181.02 3mr3 h GLN 343 N 0.68 0.46 -0.61 1.25 1.08 -0.76 -0.65 115.11 116.57 3mr3 h GLN 343 Ca 0.04 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3mr3 h GLN 343 Cb 1.06 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.38 3mr3 h GLN 343 CO 0.11 0.49 0.37 -0.07 -0.95 0.00 0.00 178.83 178.78 3mr3 h LEU 344 N 0.34 0.74 -1.09 1.46 3.38 -1.25 -2.26 115.31 116.62 3mr3 h LEU 344 Ca 0.10 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3mr3 h LEU 344 Cb 0.21 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3mr3 h LEU 344 CO -0.01 0.58 0.20 0.00 0.09 0.00 0.00 178.44 179.31 3mr3 h ALA 345 N 1.19 1.28 -0.36 1.53 0.00 -0.75 -0.97 119.26 121.17 3mr3 h ALA 345 Ca 0.22 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3mr3 h ALA 345 Cb -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3mr3 h ALA 345 CO -0.04 0.52 -0.40 1.96 0.00 0.00 0.00 179.25 181.29 3mr3 h GLN 346 N 0.82 0.91 -0.43 0.00 4.20 -0.78 0.03 115.11 119.85 3mr3 h GLN 346 Ca 0.19 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 3mr3 h GLN 346 Cb 0.21 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3mr3 h GLN 346 CO -0.01 1.15 0.12 1.49 -0.67 0.00 0.00 178.83 180.90 3mr3 h GLU 347 N 0.72 0.69 -0.79 1.46 4.81 -1.15 -2.40 114.58 117.91 3mr3 h GLU 347 Ca 0.05 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3mr3 h GLU 347 Cb 1.00 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.25 3mr3 h GLU 347 CO 0.10 0.68 0.49 1.25 -0.73 0.00 0.00 179.01 180.80 3mr3 h LEU 348 N 0.56 0.93 -0.43 1.64 5.85 -1.08 -1.84 115.31 120.95 3mr3 h LEU 348 Ca 0.14 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3mr3 h LEU 348 Cb 0.30 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3mr3 h LEU 348 CO -0.00 0.71 0.26 -0.08 -0.34 0.00 0.00 178.44 178.99 3mr3 h GLU 349 N 1.08 0.50 -0.49 1.25 4.81 -0.78 0.18 114.58 121.13 3mr3 h GLU 349 Ca 0.28 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3mr3 h GLU 349 Cb -0.06 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 3mr3 h GLU 349 CO -0.06 0.33 0.32 0.93 -0.73 0.00 0.00 179.01 179.81 3mr3 h GLU 350 N 0.52 0.63 -0.35 1.92 5.08 -1.04 -0.38 114.58 120.97 3mr3 h GLU 350 Ca 0.17 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 3mr3 h GLU 350 Cb -0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3mr3 h GLU 350 CO -0.07 0.42 -0.23 0.00 -1.00 0.00 0.00 179.01 178.13 3mr3 h ARG 351 N 0.65 0.68 -0.31 2.33 3.08 -0.96 -2.45 114.38 117.40 3mr3 h ARG 351 Ca 0.18 -0.27 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 3mr3 h ARG 351 Cb -0.06 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3mr3 h ARG 351 CO -0.05 0.85 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.31 3mr3 h LEU 352 N 0.60 0.82 -0.54 3.04 3.38 -0.39 -1.73 115.31 120.48 3mr3 h LEU 352 Ca 0.08 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 3mr3 h LEU 352 Cb 0.71 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3mr3 h LEU 352 CO 0.05 1.13 0.26 0.74 0.09 0.00 0.00 178.44 180.71 3mr3 h THR 353 N 0.53 1.20 -0.66 0.22 2.02 -1.00 -0.65 112.91 114.57 3mr3 h THR 353 Ca 0.05 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 3mr3 h THR 353 Cb 0.90 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3mr3 h THR 353 CO 0.08 0.23 0.22 0.50 0.37 0.00 0.00 175.52 176.92 3mr3 h LYS 354 N 0.73 1.01 -0.74 6.66 3.64 -1.42 -2.46 116.57 123.98 3mr3 h LYS 354 Ca 0.19 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3mr3 h LYS 354 Cb 0.13 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3mr3 h LYS 354 CO -0.02 0.88 0.41 0.22 -2.27 0.00 0.00 179.45 178.66 3mr3 h ASP 355 N 0.95 0.93 -0.80 4.20 3.58 -0.89 0.03 116.42 124.41 3mr3 h ASP 355 Ca 0.21 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 3mr3 h ASP 355 Cb 0.28 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 3mr3 h ASP 355 CO -0.01 0.76 0.33 -0.09 -2.88 0.00 0.00 179.24 177.34 3mr3 h ARG 356 N 1.02 1.19 -0.25 0.28 2.43 -0.94 0.20 114.38 118.32 3mr3 h ARG 356 Ca 0.26 -0.21 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 3mr3 h ARG 356 Cb 0.03 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3mr3 h ARG 356 CO -0.04 0.96 -0.38 -0.91 -1.51 0.00 0.00 179.97 178.09 3mr3 h ASN 357 N 1.16 0.76 -0.05 -3.80 2.35 -1.03 -2.65 115.58 112.31 3mr3 h ASN 357 Ca 0.27 -0.52 -0.24 0.00 -0.55 0.00 0.00 56.30 55.26 3mr3 h ASN 357 Cb 0.21 -0.22 0.02 0.00 0.05 0.00 0.00 38.32 38.38 3mr3 h ASN 357 CO -0.02 1.13 -0.89 0.44 -1.65 0.00 0.00 177.43 176.43 3mr3 h ASP 358 N 0.41 0.88 -0.14 5.81 3.32 -0.87 -3.39 116.42 122.43 3mr3 h ASP 358 Ca 0.02 -0.70 0.00 0.00 0.02 0.00 0.00 57.03 56.37 3mr3 h ASP 358 Cb 0.97 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3mr3 h ASP 358 CO 0.09 1.45 0.00 0.59 -1.72 0.00 0.00 179.24 179.65 3mr3 n ASN 359 N -3.94 2.41 -3.73 6.45 3.02 0.70 -5.02 115.26 115.16 3mr3 n ASN 359 Ca -0.10 -2.04 -0.23 0.00 -0.03 0.00 0.00 54.58 52.19 3mr3 n ASN 359 Cb 0.81 -0.11 0.03 0.00 -0.61 0.00 0.00 39.78 39.90 3mr3 n ASN 359 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mr3 n ASP 360 N -0.11 -1.74 -3.69 6.41 8.00 -1.00 -4.94 116.55 119.49 3mr3 n ASP 360 Ca 0.05 -0.81 -0.10 0.00 0.71 0.00 0.00 54.79 54.64 3mr3 n ASP 360 Cb 0.34 -4.06 -0.05 0.00 -0.02 0.00 0.00 41.12 37.33 3mr3 n ASP 360 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mr3 s ARG 361 N -6.07 1.06 -0.01 -1.24 1.70 -1.26 -1.41 118.95 111.73 3mr3 s ARG 361 Ca 0.10 -0.78 0.02 0.00 -0.47 0.00 0.00 55.73 54.60 3mr3 s ARG 361 Cb -0.05 0.45 -0.00 0.00 -0.57 0.00 0.00 34.95 34.77 3mr3 s ARG 361 CO 0.81 -0.40 -0.06 0.14 -1.08 0.00 0.00 175.30 174.71 3mr3 s VAL 362 N -3.82 0.46 0.39 4.99 -7.23 0.12 -3.93 120.40 111.37 3mr3 s VAL 362 Ca 0.04 -0.24 -0.24 0.00 -1.81 0.00 0.00 61.98 59.73 3mr3 s VAL 362 Cb 0.02 -0.39 -0.09 0.00 0.56 0.00 0.00 36.38 36.48 3mr3 s VAL 362 CO -0.11 0.13 1.03 0.00 -0.31 0.00 0.00 175.10 175.84 3mr3 s ALA 363 N -0.09 3.11 0.00 1.32 0.00 -1.26 -0.67 121.76 124.17 3mr3 s ALA 363 Ca 0.02 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.63 3mr3 s ALA 363 Cb -0.03 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3mr3 s ALA 363 CO -0.00 -0.13 0.23 0.25 0.00 0.00 0.00 175.76 176.11 3mr3 n THR 364 N 0.00 0.00 -4.24 0.00 -2.24 -0.73 -4.82 114.28 102.25 3mr3 n THR 364 Ca 0.05 -0.49 -0.17 0.00 -2.27 0.00 0.00 64.05 61.17 3mr3 n THR 364 Cb 0.50 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.60 3mr3 n THR 364 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3mr3 s GLN 365 N -0.51 0.66 -0.15 -0.78 0.74 -0.55 -1.41 119.66 117.65 3mr3 s GLN 365 Ca 0.00 -0.49 0.01 0.00 0.05 0.00 0.00 55.36 54.92 3mr3 s GLN 365 Cb 0.00 -0.59 0.00 0.00 1.10 0.00 0.00 33.01 33.52 3mr3 s GLN 365 CO 0.00 0.15 -0.16 -1.17 -0.55 0.00 0.00 175.29 173.56 3mr3 s LEU 366 N -0.72 2.40 -0.14 3.68 2.96 -0.28 -0.42 118.68 126.16 3mr3 s LEU 366 Ca -0.00 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 3mr3 s LEU 366 Cb -0.06 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 3mr3 s LEU 366 CO 0.00 0.08 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.42 3mr3 s VAL 367 N 0.85 4.22 -0.12 1.68 1.01 0.93 -1.38 120.40 127.59 3mr3 s VAL 367 Ca -0.05 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3mr3 s VAL 367 Cb -0.15 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 3mr3 s VAL 367 CO -0.01 0.51 -0.18 0.54 0.00 0.00 0.00 175.10 175.97 3mr3 s VAL 368 N 0.05 2.63 0.07 2.92 0.11 0.11 -0.97 120.40 125.32 3mr3 s VAL 368 Ca 0.02 -0.81 0.06 0.00 -2.93 0.00 0.00 61.98 58.31 3mr3 s VAL 368 Cb -0.13 -2.07 -0.03 0.00 -1.53 0.00 0.00 36.38 32.62 3mr3 s VAL 368 CO 0.02 0.54 -0.15 -0.55 -3.33 0.00 0.00 175.10 171.63 3mr3 s SER 369 N 0.38 1.81 0.06 3.54 0.15 -0.26 -0.79 113.70 118.58 3mr3 s SER 369 Ca -0.14 -0.61 -0.07 0.00 0.70 0.00 0.00 55.95 55.83 3mr3 s SER 369 Cb -0.17 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.06 3mr3 s SER 369 CO 0.07 -0.04 0.15 0.27 1.20 0.00 0.00 173.24 174.88 3mr3 s ILE 370 N -1.20 0.14 -0.07 6.45 -4.36 -0.79 -0.88 121.20 120.50 3mr3 s ILE 370 Ca -0.00 -1.17 0.05 0.00 -0.26 0.00 0.00 60.65 59.27 3mr3 s ILE 370 Cb -0.10 -1.17 -0.01 0.00 1.25 0.00 0.00 42.46 42.43 3mr3 s ILE 370 CO 0.02 -0.65 -0.24 -0.60 0.24 0.00 0.00 174.94 173.72 3mr3 s ARG 371 N -3.31 2.65 0.02 0.37 3.52 -0.85 0.38 118.95 121.73 3mr3 s ARG 371 Ca 0.01 -0.88 -0.06 0.00 -0.13 0.00 0.00 55.73 54.67 3mr3 s ARG 371 Cb 0.03 -2.21 -0.05 0.00 -1.56 0.00 0.00 34.95 31.16 3mr3 s ARG 371 CO -0.08 0.36 0.26 0.14 -0.81 0.00 0.00 175.30 175.17 3mr3 s VAL 372 N -0.11 5.31 0.25 7.11 -7.23 -1.26 -0.76 120.40 123.72 3mr3 s VAL 372 Ca -0.05 0.10 -0.31 0.00 -1.81 0.00 0.00 61.98 59.91 3mr3 s VAL 372 Cb -0.14 -3.57 -0.13 0.00 0.56 0.00 0.00 36.38 33.10 3mr3 s VAL 372 CO 0.04 0.33 1.53 1.67 -0.31 0.00 0.00 175.10 178.37 3mr3 n GLN 373 N 1.01 2.40 0.00 4.82 7.27 -0.43 -1.75 117.38 130.71 3mr3 n GLN 373 Ca -0.10 0.86 0.00 0.00 0.07 0.00 0.00 57.00 57.82 3mr3 n GLN 373 Cb 0.53 -2.59 0.00 0.00 2.41 0.00 0.00 30.24 30.58 3mr3 n GLN 373 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mr3 n GLY 374 N 2.42 1.59 3.67 1.69 0.00 -1.26 -4.95 105.19 108.36 3mr3 n GLY 374 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3mr3 n GLY 374 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mr3 s ASP 375 N -1.58 6.32 0.00 1.61 -1.08 -0.72 -4.97 116.67 116.25 3mr3 s ASP 375 Ca 0.00 0.36 0.26 0.00 -0.52 0.00 0.00 52.55 52.65 3mr3 s ASP 375 Cb 0.00 -2.18 0.83 0.00 -1.46 0.00 0.00 42.92 40.11 3mr3 s ASP 375 CO 0.00 -0.00 1.62 2.29 0.52 0.00 0.00 175.17 179.60 3mr3 n LYS 376 N 4.30 1.83 -1.98 4.34 0.00 -1.26 -4.80 118.16 120.58 3mr3 n LYS 376 Ca -0.11 -1.21 -0.34 0.00 -0.00 0.00 0.00 58.31 56.65 3mr3 n LYS 376 Cb 0.51 -1.47 0.03 0.00 -0.00 0.00 0.00 35.03 34.10 3mr3 n LYS 376 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3mr3 s ARG 377 N -1.96 3.07 0.25 -1.58 0.52 -1.26 -4.93 118.95 113.06 3mr3 s ARG 377 Ca 0.35 1.45 -0.06 0.00 -0.52 0.00 0.00 55.73 56.96 3mr3 s ARG 377 Cb 0.20 -1.98 0.27 0.00 0.52 0.00 0.00 34.95 33.96 3mr3 s ARG 377 CO 0.32 -1.04 1.91 1.25 0.02 0.00 0.00 175.30 177.76 3mr3 h LEU 378 N 0.53 1.09 -8.03 2.53 5.85 -1.98 -3.42 115.31 111.87 3mr3 h LEU 378 Ca -0.48 -0.02 -0.45 0.00 0.84 0.00 0.00 57.88 57.77 3mr3 h LEU 378 Cb 1.25 -0.26 -0.30 0.00 0.37 0.00 0.00 40.66 41.71 3mr3 h LEU 378 CO 0.55 0.77 -0.79 -0.55 -0.34 0.00 0.00 178.44 178.09 3mr3 s SER 379 N -6.04 1.35 -0.16 1.25 0.15 -1.26 -4.72 113.70 104.26 3mr3 s SER 379 Ca -0.13 -0.21 -0.00 0.00 0.70 0.00 0.00 55.95 56.31 3mr3 s SER 379 Cb 0.18 -0.32 -0.23 0.00 -1.71 0.00 0.00 66.02 63.94 3mr3 s SER 379 CO 0.81 0.09 0.19 -1.20 1.20 0.00 0.00 173.24 174.33 3mr3 n SER 380 N 3.17 1.79 -3.72 5.45 7.64 0.16 -4.97 113.62 123.13 3mr3 n SER 380 Ca -0.17 0.10 -0.14 0.00 1.01 0.00 0.00 58.87 59.68 3mr3 n SER 380 Cb 0.54 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 63.16 3mr3 n SER 380 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3mr3 s LEU 381 N -6.66 0.50 -0.05 -3.43 0.20 -1.00 -5.01 118.68 103.23 3mr3 s LEU 381 Ca -0.24 0.49 0.02 0.00 0.69 0.00 0.00 54.13 55.09 3mr3 s LEU 381 Cb 0.07 1.46 0.02 0.00 -0.43 0.00 0.00 46.19 47.31 3mr3 s LEU 381 CO 0.73 -0.32 -0.08 -0.60 -0.29 0.00 0.00 176.35 175.78 3mr3 s ARG 382 N -0.60 1.20 0.05 1.98 3.52 -1.26 -1.89 118.95 121.95 3mr3 s ARG 382 Ca -0.07 -0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.30 3mr3 s ARG 382 Cb -0.04 -1.07 -0.03 0.00 -1.56 0.00 0.00 34.95 32.25 3mr3 s ARG 382 CO 0.03 -0.03 -0.05 1.03 -0.81 0.00 0.00 175.30 175.47 3mr3 s ARG 383 N 0.78 0.59 0.11 5.12 1.81 0.03 -4.99 118.95 122.40 3mr3 s ARG 383 Ca -0.13 -1.01 0.03 0.00 -1.72 0.00 0.00 55.73 52.89 3mr3 s ARG 383 Cb -0.15 -0.04 -0.04 0.00 -0.45 0.00 0.00 34.95 34.27 3mr3 s ARG 383 CO 0.02 -0.04 -0.08 0.00 -0.68 0.00 0.00 175.30 174.52 3mr3 s ALA 386 N -3.95 3.52 -0.59 0.00 0.00 -1.26 -1.12 121.76 118.35 3mr3 s ALA 386 Ca 0.16 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 3mr3 s ALA 386 Cb 0.02 -3.48 0.15 0.00 0.00 0.00 0.00 23.12 19.81 3mr3 s ALA 386 CO 0.00 -0.57 0.50 -1.17 0.00 0.00 0.00 175.76 174.51 3mr3 s LEU 387 N -0.94 6.02 -0.02 0.00 0.20 -0.50 -4.69 118.68 118.74 3mr3 s LEU 387 Ca 0.53 -2.19 0.19 0.00 0.69 0.00 0.00 54.13 53.35 3mr3 s LEU 387 Cb -0.38 -2.09 -0.28 0.00 -0.43 0.00 0.00 46.19 43.01 3mr3 s LEU 387 CO 0.45 -0.67 0.43 0.35 -0.29 0.00 0.00 176.35 176.62 3mr3 n THR 388 N 4.59 0.00 -3.91 3.68 -2.24 -1.26 -4.36 114.28 110.78 3mr3 n THR 388 Ca -0.02 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 3mr3 n THR 388 Cb 0.42 0.13 -0.14 0.00 -2.10 0.00 0.00 70.33 68.64 3mr3 n THR 388 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mr3 s ARG 389 N -3.25 0.07 -1.39 -0.78 0.52 -1.26 -5.05 118.95 107.81 3mr3 s ARG 389 Ca -0.06 -0.01 -0.12 0.00 -0.52 0.00 0.00 55.73 55.02 3mr3 s ARG 389 Cb 0.12 -0.11 0.09 0.00 0.52 0.00 0.00 34.95 35.57 3mr3 s ARG 389 CO 0.77 -0.01 2.09 0.66 0.02 0.00 0.00 175.30 178.83 3mr3 n TYR 390 N 3.22 3.33 -3.90 -0.53 0.53 -1.26 -4.79 117.16 113.75 3mr3 n TYR 390 Ca -0.14 -2.91 -0.28 0.00 -1.02 0.00 0.00 57.90 53.55 3mr3 n TYR 390 Cb 0.58 -2.33 -0.16 0.00 -1.03 0.00 0.00 39.34 36.40 3mr3 n TYR 390 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3mr3 s ASP 391 N 2.32 2.78 0.27 7.72 -1.08 -1.26 -5.02 116.67 122.40 3mr3 s ASP 391 Ca 0.44 -0.62 -0.04 0.00 -0.52 0.00 0.00 52.55 51.81 3mr3 s ASP 391 Cb 0.12 -0.93 0.35 0.00 -1.46 0.00 0.00 42.92 41.00 3mr3 s ASP 391 CO -0.05 -0.17 1.94 0.00 0.52 0.00 0.00 175.17 177.41 3mr3 h ALA 392 N 8.11 1.33 -0.63 3.66 0.00 -1.89 -0.49 119.26 129.35 3mr3 h ALA 392 Ca -0.26 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3mr3 h ALA 392 Cb 1.11 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3mr3 h ALA 392 CO 0.41 0.61 0.11 0.45 0.00 0.00 0.00 179.25 180.83 3mr3 h HIS 393 N 1.23 1.10 -0.46 0.00 3.86 -1.94 -0.26 115.15 118.68 3mr3 h HIS 393 Ca 0.33 -0.15 -0.13 0.00 -1.16 0.00 0.00 60.37 59.26 3mr3 h HIS 393 Cb -0.12 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.03 3mr3 h HIS 393 CO 0.00 0.93 -0.22 -0.22 0.86 0.00 0.00 177.93 179.29 3mr3 h LYS 394 N 0.95 0.97 -0.53 2.45 3.64 -1.80 -1.56 116.57 120.68 3mr3 h LYS 394 Ca 0.19 -0.42 -0.07 0.00 -1.27 0.00 0.00 60.65 59.08 3mr3 h LYS 394 Cb 0.42 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3mr3 h LYS 394 CO 0.01 1.09 0.05 0.52 -2.27 0.00 0.00 179.45 178.85 3mr3 h MET 395 N 0.81 0.91 -0.16 1.90 2.86 -0.84 0.37 114.93 120.78 3mr3 h MET 395 Ca 0.10 -0.26 -0.14 0.00 -2.06 0.00 0.00 59.70 57.34 3mr3 h MET 395 Cb 0.79 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 3mr3 h MET 395 CO 0.07 0.90 -0.51 0.66 1.06 0.00 0.00 176.91 179.09 3mr3 h SER 396 N 0.79 0.49 -0.34 1.22 4.64 -1.02 -0.66 113.55 118.67 3mr3 h SER 396 Ca 0.16 -0.25 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 3mr3 h SER 396 Cb 0.46 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3mr3 h SER 396 CO 0.02 0.92 -0.13 -0.74 -0.87 0.00 0.00 176.83 176.02 3mr3 h HIS 397 N 0.35 0.80 -0.59 4.77 6.17 -1.10 -2.06 115.15 123.48 3mr3 h HIS 397 Ca 0.01 -0.19 -0.09 0.00 0.71 0.00 0.00 60.37 60.82 3mr3 h HIS 397 Cb 1.02 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.74 3mr3 h HIS 397 CO 0.03 0.88 0.02 -0.44 0.71 0.00 0.00 177.93 179.14 3mr3 h ASP 398 N 0.48 0.99 -0.83 3.26 3.32 -0.78 -1.52 116.42 121.33 3mr3 h ASP 398 Ca 0.08 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3mr3 h ASP 398 Cb 0.66 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 3mr3 h ASP 398 CO 0.04 1.03 0.41 0.00 -1.72 0.00 0.00 179.24 179.00 3mr3 h ALA 399 N 1.07 1.07 -0.45 3.45 0.00 -1.03 -1.95 119.26 121.42 3mr3 h ALA 399 Ca 0.17 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3mr3 h ALA 399 Cb 0.51 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3mr3 h ALA 399 CO 0.02 0.63 -0.18 0.35 0.00 0.00 0.00 179.25 180.07 3mr3 h PHE 400 N 1.18 1.06 -0.80 0.00 3.04 -1.13 -2.91 116.94 117.38 3mr3 h PHE 400 Ca 0.29 -0.25 0.08 0.00 3.98 0.00 0.00 57.97 62.07 3mr3 h PHE 400 Cb 0.11 -0.25 -0.07 0.00 2.56 0.00 0.00 35.95 38.30 3mr3 h PHE 400 CO 0.01 1.05 0.46 1.15 -2.02 0.00 0.00 178.31 178.96 3mr3 h THR 401 N 0.76 0.94 0.00 4.41 2.02 -0.82 0.27 112.91 120.49 3mr3 h THR 401 Ca 0.11 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3mr3 h THR 401 Cb 0.75 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3mr3 h THR 401 CO 0.06 0.14 0.00 -0.37 0.37 0.00 0.00 175.52 175.72 3mr3 h VAL 402 N 0.79 0.00 0.00 3.16 -1.51 -1.26 -3.32 116.25 114.12 3mr3 h VAL 402 Ca 0.38 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 3mr3 h VAL 402 Cb 0.30 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 3mr3 h VAL 402 CO -0.23 0.00 -0.84 2.30 -1.23 0.00 0.00 177.57 177.57 3mr3 n ILE 403 N -2.89 0.00 0.16 7.19 -5.35 -0.90 -4.70 119.36 112.87 3mr3 n ILE 403 Ca 0.04 -0.26 0.19 0.00 -0.27 0.00 0.00 62.75 62.44 3mr3 n ILE 403 Cb 0.45 0.70 0.79 0.00 -1.74 0.00 0.00 39.64 39.85 3mr3 n ILE 403 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3mr3 h LYS 404 N 0.00 0.00 0.00 6.28 2.10 -0.58 0.11 116.57 124.49 3mr3 h LYS 404 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3mr3 h LYS 404 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3mr3 h LYS 404 CO 0.00 0.00 -0.04 0.09 -2.00 0.00 0.00 179.45 177.50 3mr3 n ASN 405 N -3.73 0.07 0.21 7.07 4.13 -1.26 -2.51 115.26 119.24 3mr3 n ASN 405 Ca 0.04 0.45 0.15 0.00 1.68 0.00 0.00 54.58 56.90 3mr3 n ASN 405 Cb 0.46 -0.46 0.58 0.00 -1.54 0.00 0.00 39.78 38.82 3mr3 n ASN 405 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mr3 s ASN 407 N -5.14 6.52 0.00 0.00 3.84 -1.05 -4.70 114.94 114.41 3mr3 s ASN 407 Ca 0.03 2.41 0.25 0.00 0.21 0.00 0.00 52.86 55.76 3mr3 s ASN 407 Cb 0.09 -2.53 0.41 0.00 -0.55 0.00 0.00 41.25 38.67 3mr3 s ASN 407 CO 0.50 -1.03 1.38 0.35 -2.79 0.00 0.00 177.10 175.50 3mr3 n THR 408 N 5.62 0.00 -1.91 -5.21 -2.24 0.12 -4.94 114.28 105.71 3mr3 n THR 408 Ca 0.19 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 3mr3 n THR 408 Cb 0.42 1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 69.78 3mr3 n THR 408 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3mr3 s SER 409 N -2.10 6.52 0.21 3.42 0.15 -1.24 -4.89 113.70 115.76 3mr3 s SER 409 Ca 0.29 2.86 0.04 0.00 0.70 0.00 0.00 55.95 59.84 3mr3 s SER 409 Cb 0.20 -2.64 0.13 0.00 -1.71 0.00 0.00 66.02 62.00 3mr3 s SER 409 CO 0.36 -0.77 1.48 1.23 1.20 0.00 0.00 173.24 176.74 3mr3 h GLY 410 N 4.04 0.21 -4.59 9.45 0.00 -1.93 -3.44 103.07 106.81 3mr3 h GLY 410 Ca -0.48 -0.31 -0.54 0.00 0.00 0.00 0.00 47.33 46.00 3mr3 h GLY 410 CO 0.71 0.27 0.23 -0.42 0.00 0.00 0.00 176.54 177.34 3mr3 s ILE 411 N -3.47 4.84 0.15 2.60 1.01 -1.26 -4.99 121.20 120.07 3mr3 s ILE 411 Ca -0.03 1.77 -0.17 0.00 0.00 0.00 0.00 60.65 62.22 3mr3 s ILE 411 Cb 0.11 -4.18 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 3mr3 s ILE 411 CO 0.81 0.26 1.79 0.06 0.00 0.00 0.00 174.94 177.86 3mr3 h GLN 412 N 6.32 0.41 -0.27 2.79 -0.00 -2.03 -2.92 115.11 119.41 3mr3 h GLN 412 Ca -0.42 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.15 3mr3 h GLN 412 Cb 1.21 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.48 28.58 3mr3 h GLN 412 CO 0.74 0.27 -0.09 0.00 -0.00 0.00 0.00 178.83 179.75 3mr3 h THR 413 N 0.42 1.21 -3.67 1.86 1.03 -1.98 -3.45 112.91 108.34 3mr3 h THR 413 Ca 0.13 -0.88 -0.50 0.00 -0.01 0.00 0.00 66.41 65.16 3mr3 h THR 413 Cb -0.01 1.10 0.01 0.00 -1.07 0.00 0.00 68.15 68.18 3mr3 h THR 413 CO -0.06 0.29 0.11 -1.61 -0.01 0.00 0.00 175.52 174.24 3mr3 s GLU 414 N -4.81 3.72 -0.10 0.00 0.41 -1.11 -1.48 118.70 115.33 3mr3 s GLU 414 Ca -0.07 0.40 0.02 0.00 -0.41 0.00 0.00 54.97 54.91 3mr3 s GLU 414 Cb 0.15 -2.39 0.01 0.00 -1.78 0.00 0.00 34.13 30.12 3mr3 s GLU 414 CO 0.76 -0.07 -0.17 -0.46 -0.49 0.00 0.00 175.26 174.83 3mr3 s TRP 415 N -2.46 2.05 -0.06 1.61 -0.11 0.16 -4.53 118.94 115.60 3mr3 s TRP 415 Ca 0.50 -0.94 -0.14 0.00 1.22 0.00 0.00 56.10 56.74 3mr3 s TRP 415 Cb -0.10 -1.46 0.03 0.00 -1.50 0.00 0.00 33.47 30.44 3mr3 s TRP 415 CO 0.35 -0.46 0.34 -1.54 -4.62 0.00 0.00 176.95 171.02 3mr3 s SER 416 N 0.84 -0.28 0.34 5.86 1.04 -1.26 -3.91 113.70 116.34 3mr3 s SER 416 Ca -0.09 0.35 -0.27 0.00 0.48 0.00 0.00 55.95 56.42 3mr3 s SER 416 Cb -0.15 0.48 -0.09 0.00 0.10 0.00 0.00 66.02 66.36 3mr3 s SER 416 CO 0.00 -0.33 1.09 -2.16 0.98 0.00 0.00 173.24 172.82 3mr3 s PRO 417 N -0.74 4.38 0.55 4.02 0.04 -1.26 0.11 135.00 142.10 3mr3 s PRO 417 Ca -0.08 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.46 3mr3 s PRO 417 Cb -0.04 -2.87 -0.10 0.00 0.04 0.00 0.00 34.50 31.52 3mr3 s PRO 417 CO 0.03 0.01 0.38 -0.35 0.04 0.00 0.00 177.00 177.12 3mr3 n PRO 418 N 0.56 0.40 -3.51 0.56 -0.04 -1.25 -4.63 135.00 127.09 3mr3 n PRO 418 Ca 0.02 0.16 -0.37 0.00 -0.04 0.00 0.00 63.50 63.27 3mr3 n PRO 418 Cb 0.47 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 3mr3 n PRO 418 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mr3 s LEU 419 N 1.73 4.20 0.00 1.53 1.43 -0.19 -1.31 118.68 126.08 3mr3 s LEU 419 Ca 0.66 0.46 0.23 0.00 -1.03 0.00 0.00 54.13 54.45 3mr3 s LEU 419 Cb -0.46 -2.38 0.14 0.00 0.03 0.00 0.00 46.19 43.52 3mr3 s LEU 419 CO 0.57 0.05 1.20 0.35 0.23 0.00 0.00 176.35 178.74 3mr3 n THR 420 N 3.86 0.00 -3.61 5.49 -2.24 0.06 -1.49 114.28 116.35 3mr3 n THR 420 Ca -0.11 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.22 3mr3 n THR 420 Cb 0.52 1.22 -0.07 0.00 -2.10 0.00 0.00 70.33 69.90 3mr3 n THR 420 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3mr3 s MET 421 N -2.34 0.82 -0.03 -0.78 -2.45 -1.19 0.34 119.30 113.66 3mr3 s MET 421 Ca 0.22 0.80 0.05 0.00 -1.25 0.00 0.00 55.69 55.51 3mr3 s MET 421 Cb 0.19 0.40 -0.01 0.00 1.25 0.00 0.00 34.83 36.66 3mr3 s MET 421 CO 0.49 -0.13 -0.18 -0.51 1.05 0.00 0.00 175.02 175.74 3mr3 s LEU 422 N 0.06 1.98 -0.03 4.11 1.43 -0.52 -2.00 118.68 123.71 3mr3 s LEU 422 Ca -0.01 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3mr3 s LEU 422 Cb -0.04 -0.98 0.03 0.00 0.03 0.00 0.00 46.19 45.23 3mr3 s LEU 422 CO 0.01 0.19 0.04 0.12 0.23 0.00 0.00 176.35 176.95 3mr3 s PHE 423 N -0.19 0.04 -0.12 0.29 2.19 -0.06 -1.23 117.98 118.90 3mr3 s PHE 423 Ca 0.01 0.18 0.02 0.00 0.33 0.00 0.00 56.93 57.47 3mr3 s PHE 423 Cb -0.10 -0.31 -0.01 0.00 -1.31 0.00 0.00 43.02 41.30 3mr3 s PHE 423 CO 0.01 -0.12 -0.18 -0.51 1.83 0.00 0.00 175.22 176.25 3mr3 s LEU 424 N 1.43 2.42 -0.05 6.12 1.43 0.30 -1.10 118.68 129.23 3mr3 s LEU 424 Ca -0.05 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3mr3 s LEU 424 Cb -0.13 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.59 3mr3 s LEU 424 CO -0.03 0.15 -0.08 0.00 0.23 0.00 0.00 176.35 176.62 3mr3 s ALA 426 N 0.76 3.56 0.29 0.00 0.00 0.85 -0.05 121.76 127.18 3mr3 s ALA 426 Ca -0.13 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.49 3mr3 s ALA 426 Cb -0.15 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 3mr3 s ALA 426 CO 0.02 0.02 0.27 0.25 0.00 0.00 0.00 175.76 176.31 3mr3 n THR 427 N 3.71 0.00 -3.36 0.00 -2.24 0.44 -1.79 114.28 111.05 3mr3 n THR 427 Ca -0.10 -2.05 -0.17 0.00 -2.27 0.00 0.00 64.05 59.46 3mr3 n THR 427 Cb 0.52 1.04 0.04 0.00 -2.10 0.00 0.00 70.33 69.83 3mr3 n THR 427 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3mr3 n LYS 428 N -0.54 -1.70 -2.34 -0.78 5.02 -1.26 -1.48 118.16 115.07 3mr3 n LYS 428 Ca 0.06 0.89 -0.37 0.00 -2.02 0.00 0.00 58.31 56.87 3mr3 n LYS 428 Cb 0.52 -5.14 -0.02 0.00 -0.02 0.00 0.00 35.03 30.37 3mr3 n LYS 428 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3mr3 s PHE 429 N -3.30 3.03 0.02 2.13 0.08 -1.26 -1.97 117.98 116.71 3mr3 s PHE 429 Ca 0.33 1.57 0.02 0.00 0.12 0.00 0.00 56.93 58.97 3mr3 s PHE 429 Cb -0.07 -3.32 -0.01 0.00 -0.57 0.00 0.00 43.02 39.04 3mr3 s PHE 429 CO 0.79 -1.23 -0.07 0.45 -0.10 0.00 0.00 175.22 175.06 3mr3 s SER 430 N -1.34 0.75 0.46 1.36 0.15 0.16 -4.95 113.70 110.29 3mr3 s SER 430 Ca 0.60 -0.29 -0.25 0.00 0.70 0.00 0.00 55.95 56.71 3mr3 s SER 430 Cb -0.28 -0.03 -0.08 0.00 -1.71 0.00 0.00 66.02 63.93 3mr3 s SER 430 CO 0.34 -0.04 1.44 0.00 1.20 0.00 0.00 173.24 176.17 3mr3 s ALA 431 N -0.65 3.22 0.00 5.45 0.00 -1.26 -0.70 121.76 127.81 3mr3 s ALA 431 Ca -0.03 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3mr3 s ALA 431 Cb -0.05 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3mr3 s ALA 431 CO 0.00 -1.24 0.07 -1.13 0.00 0.00 0.00 175.76 173.46