#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr4 s HIS 0 N 0.00 2.80 0.19 6.00 2.46 -1.26 -3.99 115.29 121.48 3mr4 s HIS 0 Ca 0.00 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.06 3mr4 s HIS 0 Cb 0.00 -3.09 0.10 0.00 -0.13 0.00 0.00 32.58 29.46 3mr4 s HIS 0 CO 0.00 -1.43 1.46 0.52 -2.47 0.00 0.00 174.74 172.82 3mr4 h MET 1 N 0.16 0.35 -0.98 2.88 2.86 -1.95 -1.40 114.93 116.85 3mr4 h MET 1 Ca -0.47 -0.28 0.13 0.00 -2.06 0.00 0.00 59.70 57.02 3mr4 h MET 1 Cb 1.23 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.86 3mr4 h MET 1 CO 0.56 0.92 0.61 0.00 1.06 0.00 0.00 176.91 180.05 3mr4 h ALA 2 N 1.01 1.49 -0.70 6.32 0.00 -2.01 0.18 119.26 125.54 3mr4 h ALA 2 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mr4 h ALA 2 Cb 1.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3mr4 h ALA 2 CO 0.12 0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.80 3mr4 n THR 3 N -4.65 1.50 -3.85 0.00 -2.24 -1.22 -4.95 114.28 98.87 3mr4 n THR 3 Ca 0.19 -1.11 -0.27 0.00 -2.27 0.00 0.00 64.05 60.59 3mr4 n THR 3 Cb 0.37 0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.90 3mr4 n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr4 n GLY 4 N 1.39 -0.39 0.40 3.38 0.00 0.63 -4.85 105.19 105.76 3mr4 n GLY 4 Ca 0.26 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.52 3mr4 n GLY 4 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mr4 n GLN 5 N -4.49 1.74 0.24 1.61 6.02 -0.54 -4.76 117.38 117.21 3mr4 n GLN 5 Ca -0.12 -2.77 0.15 0.00 -0.01 0.00 0.00 57.00 54.24 3mr4 n GLN 5 Cb 0.60 -1.62 0.42 0.00 1.02 0.00 0.00 30.24 30.66 3mr4 n GLN 5 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 3mr4 h ASP 6 N 0.61 0.00 -3.26 1.08 3.04 -1.68 -3.42 116.42 112.80 3mr4 h ASP 6 Ca 0.02 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.33 3mr4 h ASP 6 Cb 1.15 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.30 3mr4 h ASP 6 CO 0.08 0.00 -0.60 -0.13 -2.04 0.00 0.00 179.24 176.55 3mr4 s ARG 7 N -3.42 1.67 -0.19 4.15 0.52 -1.26 -5.04 118.95 115.37 3mr4 s ARG 7 Ca 0.04 -1.94 0.01 0.00 -0.52 0.00 0.00 55.73 53.32 3mr4 s ARG 7 Cb 0.07 -0.82 0.04 0.00 0.52 0.00 0.00 34.95 34.76 3mr4 s ARG 7 CO 0.61 -0.22 -0.12 0.08 0.02 0.00 0.00 175.30 175.66 3mr4 s VAL 8 N -3.31 1.74 -0.01 3.52 1.01 -1.26 -4.33 120.40 117.76 3mr4 s VAL 8 Ca 0.35 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3mr4 s VAL 8 Cb 0.08 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 3mr4 s VAL 8 CO 0.15 0.24 -0.19 -0.69 0.00 0.00 0.00 175.10 174.62 3mr4 s VAL 9 N 1.37 1.48 0.10 2.92 1.01 0.77 -1.19 120.40 126.86 3mr4 s VAL 9 Ca -0.00 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.22 3mr4 s VAL 9 Cb -0.16 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 3mr4 s VAL 9 CO -0.09 0.41 -0.15 0.00 0.00 0.00 0.00 175.10 175.27 3mr4 s ALA 10 N -0.46 1.39 -0.08 5.51 0.00 -0.12 -0.80 121.76 127.21 3mr4 s ALA 10 Ca 0.07 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.88 3mr4 s ALA 10 Cb -0.07 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.96 3mr4 s ALA 10 CO -0.01 0.15 -0.13 -1.17 0.00 0.00 0.00 175.76 174.61 3mr4 s LEU 11 N -2.11 1.64 -0.15 0.00 2.96 -0.25 -0.03 118.68 120.75 3mr4 s LEU 11 Ca 0.04 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3mr4 s LEU 11 Cb -0.07 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.73 3mr4 s LEU 11 CO 0.03 0.02 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.20 3mr4 s VAL 12 N 0.78 2.28 -0.06 1.68 1.01 -0.81 -0.49 120.40 124.79 3mr4 s VAL 12 Ca -0.12 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 60.99 3mr4 s VAL 12 Cb -0.16 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.30 3mr4 s VAL 12 CO 0.02 0.53 -0.14 -0.62 0.00 0.00 0.00 175.10 174.90 3mr4 s ASP 13 N 0.88 1.90 0.35 3.32 -1.08 -0.41 -2.06 116.67 119.57 3mr4 s ASP 13 Ca -0.05 -0.32 -0.28 0.00 -0.52 0.00 0.00 52.55 51.39 3mr4 s ASP 13 Cb -0.15 -0.79 -0.09 0.00 -1.46 0.00 0.00 42.92 40.43 3mr4 s ASP 13 CO -0.02 0.07 1.25 -0.04 0.52 0.00 0.00 175.17 176.94 3mr4 s MET 14 N 0.49 4.25 0.00 4.34 -1.94 -0.50 -1.76 119.30 124.18 3mr4 s MET 14 Ca -0.12 2.07 -0.30 0.00 -1.71 0.00 0.00 55.69 55.63 3mr4 s MET 14 Cb -0.15 -2.94 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 3mr4 s MET 14 CO 0.04 -0.22 1.05 -0.51 -0.01 0.00 0.00 175.02 175.36 3mr4 s ASP 15 N -0.72 7.27 -0.91 3.03 1.01 -1.06 -4.02 116.67 121.27 3mr4 s ASP 15 Ca 0.52 1.75 -0.15 0.00 0.71 0.00 0.00 52.55 55.38 3mr4 s ASP 15 Cb -0.37 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.01 3mr4 s ASP 15 CO 0.48 -0.35 0.28 0.00 0.21 0.00 0.00 175.17 175.79 3mr4 h PHE 17 N -0.84 -1.33 -0.84 0.00 3.57 -1.95 -1.16 116.94 114.39 3mr4 h PHE 17 Ca -0.47 0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.15 3mr4 h PHE 17 Cb 0.95 0.68 -0.05 0.00 2.79 0.00 0.00 35.95 40.32 3mr4 h PHE 17 CO 0.29 -0.41 0.55 0.74 -2.23 0.00 0.00 178.31 177.24 3mr4 h PHE 18 N -0.16 1.03 -0.49 0.41 -1.00 -1.96 -1.56 116.94 113.21 3mr4 h PHE 18 Ca 0.21 0.03 0.01 0.00 2.81 0.00 0.00 57.97 61.02 3mr4 h PHE 18 Cb 0.55 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 3mr4 h PHE 18 CO -0.78 0.61 0.32 0.28 -1.61 0.00 0.00 178.31 177.13 3mr4 h VAL 19 N 1.09 1.11 -0.57 -0.55 2.07 -1.67 -1.64 116.25 116.09 3mr4 h VAL 19 Ca 0.33 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 3mr4 h VAL 19 Cb -0.04 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 3mr4 h VAL 19 CO -0.10 0.12 0.15 1.56 0.02 0.00 0.00 177.57 179.33 3mr4 h GLN 20 N 0.65 0.86 -0.70 1.57 4.20 -0.65 -0.07 115.11 120.97 3mr4 h GLN 20 Ca 0.18 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3mr4 h GLN 20 Cb -0.06 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 3mr4 h GLN 20 CO -0.05 0.76 0.29 0.28 -0.67 0.00 0.00 178.83 179.44 3mr4 h VAL 21 N 0.83 1.24 -0.41 -0.54 2.07 -0.54 -1.33 116.25 117.57 3mr4 h VAL 21 Ca 0.19 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 3mr4 h VAL 21 Cb 0.28 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3mr4 h VAL 21 CO -0.00 0.30 0.06 -0.33 0.02 0.00 0.00 177.57 177.62 3mr4 h GLU 22 N 0.99 0.69 -0.05 1.57 4.39 -0.99 -2.49 114.58 118.69 3mr4 h GLU 22 Ca 0.23 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.76 3mr4 h GLU 22 Cb 0.19 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3mr4 h GLU 22 CO -0.02 0.73 0.04 1.96 -1.16 0.00 0.00 179.01 180.56 3mr4 h GLN 23 N 0.54 0.00 -0.09 2.33 4.20 -0.56 -0.57 115.11 120.96 3mr4 h GLN 23 Ca 0.12 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.62 3mr4 h GLN 23 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3mr4 h GLN 23 CO 0.01 0.00 -0.80 -0.09 -0.67 0.00 0.00 178.83 177.28 3mr4 h ARG 24 N 0.00 0.57 -0.26 1.46 2.43 -0.79 -3.23 114.38 114.57 3mr4 h ARG 24 Ca 0.02 -0.50 -0.16 0.00 -0.81 0.00 0.00 59.98 58.54 3mr4 h ARG 24 Cb 0.10 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3mr4 h ARG 24 CO -0.00 1.12 -0.45 1.96 -1.51 0.00 0.00 179.97 181.10 3mr4 h GLN 25 N 0.38 0.76 -4.41 0.20 4.20 -1.09 -3.40 115.11 111.75 3mr4 h GLN 25 Ca -0.05 -0.47 -0.66 0.00 0.06 0.00 0.00 58.65 57.53 3mr4 h GLN 25 Cb 1.41 0.05 -0.40 0.00 0.30 0.00 0.00 27.48 28.84 3mr4 h GLN 25 CO 0.15 1.10 -0.70 1.21 -0.67 0.00 0.00 178.83 179.92 3mr4 s ASN 26 N -6.76 4.69 0.45 1.46 3.84 -0.34 -5.00 114.94 113.28 3mr4 s ASN 26 Ca -0.12 -2.34 0.20 0.00 0.21 0.00 0.00 52.86 50.82 3mr4 s ASN 26 Cb 0.09 -1.64 1.17 0.00 -0.55 0.00 0.00 41.25 40.32 3mr4 s ASN 26 CO 0.86 -0.35 1.88 -0.65 -2.79 0.00 0.00 177.10 176.04 3mr4 h PRO 27 N 7.39 0.30 -0.13 0.43 0.11 -1.78 -2.01 132.00 136.31 3mr4 h PRO 27 Ca -0.05 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.08 3mr4 h PRO 27 Cb 0.99 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3mr4 h PRO 27 CO 0.56 0.20 0.17 0.45 -0.21 0.00 0.00 178.00 179.17 3mr4 h HIS 28 N 0.31 0.00 0.00 0.65 3.86 -1.94 -0.53 115.15 117.50 3mr4 h HIS 28 Ca 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 3mr4 h HIS 28 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3mr4 h HIS 28 CO -0.00 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.07 3mr4 n LEU 29 N -3.69 0.56 -4.76 2.43 4.77 -0.76 -4.89 117.00 110.67 3mr4 n LEU 29 Ca 0.00 0.57 -0.39 0.00 -0.03 0.00 0.00 56.01 56.17 3mr4 n LEU 29 Cb 0.27 -0.42 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 3mr4 n LEU 29 CO 0.26 -0.22 1.00 -0.13 -1.33 0.00 0.00 177.39 176.97 3mr4 s ARG 30 N -3.12 3.51 -1.45 3.23 0.52 -0.21 -3.30 118.95 118.13 3mr4 s ARG 30 Ca 0.10 2.27 -0.12 0.00 -0.52 0.00 0.00 55.73 57.46 3mr4 s ARG 30 Cb 0.13 -2.49 0.08 0.00 0.52 0.00 0.00 34.95 33.19 3mr4 s ARG 30 CO 0.52 -0.90 0.72 0.09 0.02 0.00 0.00 175.30 175.74 3mr4 n ASN 31 N -0.50 -4.32 -3.98 0.23 3.02 -1.26 -4.96 115.26 103.49 3mr4 n ASN 31 Ca 0.07 -0.59 -0.09 0.00 -0.03 0.00 0.00 54.58 53.94 3mr4 n ASN 31 Cb 0.44 -3.50 -0.11 0.00 -0.61 0.00 0.00 39.78 35.99 3mr4 n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mr4 s LYS 32 N -6.31 0.32 0.05 3.52 1.02 -1.21 -5.07 119.74 112.06 3mr4 s LYS 32 Ca 0.53 -0.62 -0.31 0.00 0.02 0.00 0.00 55.97 55.60 3mr4 s LYS 32 Cb -0.27 0.11 -0.07 0.00 -0.52 0.00 0.00 37.83 37.08 3mr4 s LYS 32 CO 0.65 -0.05 1.56 -1.25 -0.92 0.00 0.00 175.35 175.34 3mr4 s PRO 33 N -1.51 4.23 0.27 -1.68 0.04 -1.26 -4.76 135.00 130.33 3mr4 s PRO 33 Ca -0.16 2.20 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 3mr4 s PRO 33 Cb -0.10 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.88 3mr4 s PRO 33 CO -0.01 -0.67 0.54 0.00 0.04 0.00 0.00 177.00 176.89 3mr4 s ALA 35 N -3.75 -0.15 -0.06 0.00 0.00 0.11 -0.82 121.76 117.08 3mr4 s ALA 35 Ca 0.21 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.25 3mr4 s ALA 35 Cb -0.02 1.06 0.01 0.00 0.00 0.00 0.00 23.12 24.17 3mr4 s ALA 35 CO 0.10 -0.86 -0.13 0.08 0.00 0.00 0.00 175.76 174.96 3mr4 s VAL 36 N -3.80 1.16 0.25 0.00 1.01 0.12 -0.75 120.40 118.39 3mr4 s VAL 36 Ca 0.23 -0.50 0.11 0.00 0.00 0.00 0.00 61.98 61.82 3mr4 s VAL 36 Cb -0.01 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 3mr4 s VAL 36 CO 0.11 0.36 -0.12 0.68 0.00 0.00 0.00 175.10 176.12 3mr4 s VAL 37 N 0.60 2.91 1.16 2.92 -7.23 0.28 -1.24 120.40 119.81 3mr4 s VAL 37 Ca -0.14 -2.09 -0.13 0.00 -1.81 0.00 0.00 61.98 57.82 3mr4 s VAL 37 Cb -0.15 -2.52 0.28 0.00 0.56 0.00 0.00 36.38 34.55 3mr4 s VAL 37 CO 0.04 -0.32 1.03 -1.10 -0.31 0.00 0.00 175.10 174.44 3mr4 s GLN 38 N -3.38 -0.86 0.58 4.82 -1.52 0.14 -2.82 119.66 116.60 3mr4 s GLN 38 Ca 0.29 0.79 0.32 0.00 -1.95 0.00 0.00 55.36 54.81 3mr4 s GLN 38 Cb -0.06 -1.56 1.76 0.00 -0.22 0.00 0.00 33.01 32.93 3mr4 s GLN 38 CO 0.16 -3.67 2.19 0.10 -0.25 0.00 0.00 175.29 173.82 3mr4 h TYR 39 N -2.59 0.00 -3.42 0.91 -0.00 -1.91 -3.40 116.97 106.56 3mr4 h TYR 39 Ca -0.61 0.00 -0.54 0.00 0.00 0.00 0.00 58.73 57.57 3mr4 h TYR 39 Cb 1.34 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 38.03 3mr4 h TYR 39 CO 0.26 0.05 0.26 0.15 -0.00 0.00 0.00 178.16 178.88 3mr4 s LYS 40 N -4.34 4.54 -0.62 0.10 1.02 -1.26 -4.95 119.74 114.23 3mr4 s LYS 40 Ca -0.04 1.22 -0.12 0.00 0.02 0.00 0.00 55.97 57.05 3mr4 s LYS 40 Cb 0.14 -3.43 0.16 0.00 -0.52 0.00 0.00 37.83 34.18 3mr4 s LYS 40 CO 0.54 0.08 0.54 -1.12 -0.92 0.00 0.00 175.35 174.46 3mr4 s SER 41 N 0.62 6.14 -0.11 2.83 0.01 -1.26 -4.04 113.70 117.89 3mr4 s SER 41 Ca 0.45 -2.22 -0.04 0.00 1.31 0.00 0.00 55.95 55.45 3mr4 s SER 41 Cb -0.20 -2.12 0.06 0.00 0.21 0.00 0.00 66.02 63.96 3mr4 s SER 41 CO 0.25 -0.67 0.22 0.86 0.41 0.00 0.00 173.24 174.31 3mr4 s TRP 42 N 0.90 -0.32 -1.32 2.43 -0.00 -1.26 -4.74 118.94 114.63 3mr4 s TRP 42 Ca 0.10 0.82 -0.02 0.00 -0.00 0.00 0.00 56.10 57.00 3mr4 s TRP 42 Cb -0.22 -0.11 0.00 0.00 -0.00 0.00 0.00 33.47 33.14 3mr4 s TRP 42 CO -0.02 -0.31 0.22 1.63 -0.00 0.00 0.00 176.95 178.46 3mr4 n LYS 43 N 5.23 -2.45 -0.33 5.86 5.02 -1.26 -1.92 118.16 128.32 3mr4 n LYS 43 Ca -0.07 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 3mr4 n LYS 43 Cb 0.50 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 3mr4 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mr4 n GLY 44 N -1.17 2.15 0.00 0.72 0.00 -1.26 -1.80 105.19 103.83 3mr4 n GLY 44 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3mr4 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr4 n GLY 45 N -2.00 2.34 3.77 -0.02 0.00 -0.81 -4.59 105.19 103.89 3mr4 n GLY 45 Ca 0.00 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 3mr4 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mr4 s GLY 46 N 0.00 2.83 -0.23 -0.02 0.00 -1.26 -1.32 107.32 107.31 3mr4 s GLY 46 Ca 0.00 0.87 -0.11 0.00 0.00 0.00 0.00 44.72 45.47 3mr4 s GLY 46 CO 0.00 1.35 0.19 -0.42 0.00 0.00 0.00 173.10 174.22 3mr4 s ILE 47 N -1.49 5.34 -0.10 0.90 1.01 -1.13 0.23 121.20 125.96 3mr4 s ILE 47 Ca 0.57 0.26 0.06 0.00 0.00 0.00 0.00 60.65 61.53 3mr4 s ILE 47 Cb -0.28 -3.53 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 3mr4 s ILE 47 CO 0.34 0.34 -0.01 2.30 0.00 0.00 0.00 174.94 177.91 3mr4 n ILE 48 N 4.25 0.62 -4.09 2.92 -5.35 -0.37 0.11 119.36 117.44 3mr4 n ILE 48 Ca -0.14 -0.33 -0.18 0.00 -0.27 0.00 0.00 62.75 61.82 3mr4 n ILE 48 Cb 0.52 -0.81 -0.16 0.00 -1.74 0.00 0.00 39.64 37.45 3mr4 n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mr4 s ALA 49 N -2.22 0.51 -0.04 -1.28 0.00 -1.09 -4.78 121.76 112.85 3mr4 s ALA 49 Ca -0.08 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 51.92 3mr4 s ALA 49 Cb 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3mr4 s ALA 49 CO 0.33 -0.00 -0.19 0.08 0.00 0.00 0.00 175.76 175.98 3mr4 s VAL 50 N 0.73 1.53 0.66 0.00 1.01 -1.26 0.12 120.40 123.19 3mr4 s VAL 50 Ca -0.09 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 3mr4 s VAL 50 Cb -0.12 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.96 3mr4 s VAL 50 CO -0.00 0.44 1.10 -0.94 0.00 0.00 0.00 175.10 175.69 3mr4 s SER 51 N -0.06 5.16 0.32 3.32 1.04 -0.00 -4.75 113.70 118.72 3mr4 s SER 51 Ca -0.02 1.94 0.06 0.00 0.48 0.00 0.00 55.95 58.41 3mr4 s SER 51 Cb -0.11 -2.54 0.55 0.00 0.10 0.00 0.00 66.02 64.01 3mr4 s SER 51 CO 0.02 -1.60 1.79 1.88 0.98 0.00 0.00 173.24 176.31 3mr4 h TYR 52 N -0.05 0.38 -0.83 5.02 0.05 -1.92 -1.96 116.97 117.67 3mr4 h TYR 52 Ca -0.46 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 58.27 3mr4 h TYR 52 Cb 1.24 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.84 3mr4 h TYR 52 CO 0.56 0.56 0.54 0.93 -1.05 0.00 0.00 178.16 179.70 3mr4 h GLU 53 N 0.31 1.03 0.00 4.88 3.07 -1.92 -2.17 114.58 119.78 3mr4 h GLU 53 Ca 0.05 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 3mr4 h GLU 53 Cb 0.59 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3mr4 h GLU 53 CO 0.04 0.68 -0.50 0.00 -1.40 0.00 0.00 179.01 177.83 3mr4 h ALA 54 N 1.34 1.12 -0.11 3.43 0.00 -1.71 -3.09 119.26 120.23 3mr4 h ALA 54 Ca 0.33 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3mr4 h ALA 54 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3mr4 h ALA 54 CO -0.10 0.63 0.02 0.00 0.00 0.00 0.00 179.25 179.79 3mr4 h ARG 55 N 0.00 0.15 -0.96 0.00 3.08 -0.70 -1.83 114.38 114.11 3mr4 h ARG 55 Ca -0.01 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.05 3mr4 h ARG 55 Cb 0.92 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.89 3mr4 h ARG 55 CO 0.07 0.15 0.64 0.00 -1.07 0.00 0.00 179.97 179.75 3mr4 h ALA 56 N 1.88 1.34 0.00 0.04 0.00 -1.50 0.21 119.26 121.23 3mr4 h ALA 56 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mr4 h ALA 56 Cb 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3mr4 h ALA 56 CO -0.00 0.59 0.00 1.19 0.00 0.00 0.00 179.25 181.03 3mr4 n PHE 57 N -4.41 0.00 -0.13 0.00 3.72 -0.70 -4.85 117.46 111.10 3mr4 n PHE 57 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 3mr4 n PHE 57 Cb 0.05 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 3mr4 n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mr4 n GLY 58 N 0.18 0.64 3.77 1.37 0.00 0.74 -4.66 105.19 107.23 3mr4 n GLY 58 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3mr4 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mr4 s VAL 59 N -2.20 2.56 0.03 1.61 1.01 -1.18 -5.00 120.40 117.23 3mr4 s VAL 59 Ca 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 3mr4 s VAL 59 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3mr4 s VAL 59 CO 0.00 0.13 0.04 0.42 0.00 0.00 0.00 175.10 175.69 3mr4 s THR 60 N -1.10 0.14 0.60 3.92 -4.23 -1.26 -4.47 115.64 109.24 3mr4 s THR 60 Ca 0.50 -1.13 -0.17 0.00 -1.18 0.00 0.00 61.69 59.71 3mr4 s THR 60 Cb -0.41 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 3mr4 s THR 60 CO 0.55 -0.62 1.13 0.00 -0.54 0.00 0.00 174.62 175.14 3mr4 s ARG 61 N -2.39 3.05 0.00 3.99 1.70 -1.26 -3.14 118.95 120.90 3mr4 s ARG 61 Ca -0.07 1.54 0.00 0.00 -0.47 0.00 0.00 55.73 56.73 3mr4 s ARG 61 Cb -0.03 -1.97 0.00 0.00 -0.57 0.00 0.00 34.95 32.38 3mr4 s ARG 61 CO -0.04 -1.08 0.00 0.45 -1.08 0.00 0.00 175.30 173.55 3mr4 n SER 62 N -1.84 -2.20 -4.15 -2.89 2.88 0.30 -4.97 113.62 100.75 3mr4 n SER 62 Ca 0.11 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.46 3mr4 n SER 62 Cb 0.51 -0.37 -0.13 0.00 -0.75 0.00 0.00 64.21 63.48 3mr4 n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mr4 s MET 63 N -0.92 0.87 0.35 -1.46 0.23 -1.19 -4.92 119.30 112.27 3mr4 s MET 63 Ca 0.00 -0.81 -0.29 0.00 -1.03 0.00 0.00 55.69 53.56 3mr4 s MET 63 Cb 0.00 -0.87 -0.11 0.00 -1.53 0.00 0.00 34.83 32.32 3mr4 s MET 63 CO 0.00 0.21 1.48 -1.58 -2.03 0.00 0.00 175.02 173.09 3mr4 s TRP 64 N -0.99 2.70 0.18 3.16 0.52 -1.26 -2.85 118.94 120.40 3mr4 s TRP 64 Ca 0.00 1.13 -0.14 0.00 0.02 0.00 0.00 56.10 57.12 3mr4 s TRP 64 Cb -0.09 -3.97 0.17 0.00 -1.15 0.00 0.00 33.47 28.43 3mr4 s TRP 64 CO 0.02 -2.92 1.72 0.00 0.02 0.00 0.00 176.95 175.79 3mr4 h ALA 65 N 3.46 0.52 -0.53 0.98 0.00 -0.96 -0.00 119.26 122.72 3mr4 h ALA 65 Ca -0.50 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 3mr4 h ALA 65 Cb 1.23 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3mr4 h ALA 65 CO 0.67 -0.32 -0.08 -0.44 0.00 0.00 0.00 179.25 179.09 3mr4 h ASP 66 N 0.22 0.98 0.05 0.00 3.32 -1.65 0.77 116.42 120.11 3mr4 h ASP 66 Ca 0.23 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3mr4 h ASP 66 Cb 0.31 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3mr4 h ASP 66 CO -0.31 1.09 -0.06 0.44 -1.72 0.00 0.00 179.24 178.68 3mr4 h ASP 67 N 0.85 0.03 0.46 6.45 3.32 -1.67 0.58 116.42 126.44 3mr4 h ASP 67 Ca 0.14 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.02 3mr4 h ASP 67 Cb 0.64 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3mr4 h ASP 67 CO 0.04 0.10 -0.72 0.00 -1.72 0.00 0.00 179.24 176.94 3mr4 h ALA 68 N 1.91 0.71 -0.18 3.45 0.00 -0.14 -3.28 119.26 121.72 3mr4 h ALA 68 Ca 0.01 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.32 3mr4 h ALA 68 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3mr4 h ALA 68 CO 0.01 0.81 0.04 0.87 0.00 0.00 0.00 179.25 180.97 3mr4 h LYS 69 N 0.15 0.11 -0.92 0.00 1.79 0.15 -0.35 116.57 117.49 3mr4 h LYS 69 Ca -0.02 -0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.55 3mr4 h LYS 69 Cb 1.28 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 31.83 3mr4 h LYS 69 CO 0.11 0.07 0.56 0.87 -1.08 0.00 0.00 179.45 179.98 3mr4 h LYS 70 N 0.11 0.89 -0.27 3.15 6.56 -1.53 0.42 116.57 125.90 3mr4 h LYS 70 Ca 0.08 -0.05 -0.17 0.00 -1.06 0.00 0.00 60.65 59.44 3mr4 h LYS 70 Cb 0.07 -0.20 -0.00 0.00 -0.57 0.00 0.00 32.23 31.53 3mr4 h LYS 70 CO -0.10 0.59 -0.52 -0.07 -2.06 0.00 0.00 179.45 177.28 3mr4 h LEU 71 N 0.92 0.87 -6.39 2.94 3.38 -1.56 -3.38 115.31 112.09 3mr4 h LEU 71 Ca 0.45 -0.45 -0.59 0.00 0.09 0.00 0.00 57.88 57.37 3mr4 h LEU 71 Cb 0.41 -0.25 -0.39 0.00 0.09 0.00 0.00 40.66 40.52 3mr4 h LEU 71 CO -0.25 1.23 -0.89 0.00 0.09 0.00 0.00 178.44 178.61 3mr4 h PRO 73 N 5.04 0.00 0.00 0.00 0.11 -0.39 0.78 132.00 137.54 3mr4 h PRO 73 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3mr4 h PRO 73 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3mr4 h PRO 73 CO 0.51 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.05 3mr4 n ASP 74 N -3.77 0.00 -4.60 -2.05 8.00 -1.26 -4.88 116.55 107.98 3mr4 n ASP 74 Ca 0.09 0.24 -0.55 0.00 0.71 0.00 0.00 54.79 55.28 3mr4 n ASP 74 Cb 0.67 -0.41 -0.07 0.00 -0.02 0.00 0.00 41.12 41.30 3mr4 n ASP 74 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3mr4 n LEU 75 N -1.41 1.49 -4.70 0.64 7.94 0.27 -4.85 117.00 116.38 3mr4 n LEU 75 Ca 0.09 1.12 -0.35 0.00 -1.11 0.00 0.00 56.01 55.76 3mr4 n LEU 75 Cb 0.27 -1.13 -0.09 0.00 0.53 0.00 0.00 43.42 43.00 3mr4 n LEU 75 CO 0.23 -1.07 -0.30 -0.76 -1.11 0.00 0.00 177.39 174.38 3mr4 s LEU 76 N 1.03 3.64 0.08 -1.96 1.02 -0.98 -5.00 118.68 116.51 3mr4 s LEU 76 Ca 0.89 0.15 0.09 0.00 0.02 0.00 0.00 54.13 55.28 3mr4 s LEU 76 Cb -1.05 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 43.25 3mr4 s LEU 76 CO 0.53 0.37 -0.21 -0.76 0.02 0.00 0.00 176.35 176.30 3mr4 s LEU 77 N -1.00 2.51 0.00 1.79 1.43 -1.26 -0.72 118.68 121.43 3mr4 s LEU 77 Ca 0.14 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3mr4 s LEU 77 Cb -0.11 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 3mr4 s LEU 77 CO 0.04 0.22 -0.06 0.00 0.23 0.00 0.00 176.35 176.78 3mr4 s ALA 78 N -1.00 0.45 0.14 4.21 0.00 0.07 -4.93 121.76 120.70 3mr4 s ALA 78 Ca 0.15 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 51.89 3mr4 s ALA 78 Cb -0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 3mr4 s ALA 78 CO 0.06 0.09 -0.19 -1.14 0.00 0.00 0.00 175.76 174.58 3mr4 s GLN 79 N -0.34 1.22 0.25 0.00 0.74 -1.26 -0.55 119.66 119.71 3mr4 s GLN 79 Ca 0.00 -1.32 -0.30 0.00 0.05 0.00 0.00 55.36 53.80 3mr4 s GLN 79 Cb -0.03 -1.35 -0.09 0.00 1.10 0.00 0.00 33.01 32.64 3mr4 s GLN 79 CO -0.00 0.29 1.16 0.08 -0.55 0.00 0.00 175.29 176.27 3mr4 s VAL 80 N -1.72 3.42 0.74 1.34 1.01 -1.13 -4.95 120.40 119.12 3mr4 s VAL 80 Ca 0.12 1.34 -0.14 0.00 0.00 0.00 0.00 61.98 63.30 3mr4 s VAL 80 Cb -0.07 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.50 3mr4 s VAL 80 CO 0.06 0.28 1.16 -0.13 0.00 0.00 0.00 175.10 176.47 3mr4 s ARG 81 N -1.03 2.16 -0.03 2.72 1.81 -1.26 -4.38 118.95 118.93 3mr4 s ARG 81 Ca 0.48 1.56 0.04 0.00 -1.72 0.00 0.00 55.73 56.10 3mr4 s ARG 81 Cb -0.33 -1.86 -0.03 0.00 -0.45 0.00 0.00 34.95 32.29 3mr4 s ARG 81 CO 0.41 -1.78 -0.14 -2.00 -0.68 0.00 0.00 175.30 171.10 3mr4 s GLU 82 N -4.18 2.44 -0.07 3.54 2.12 -1.26 -1.16 118.70 120.13 3mr4 s GLU 82 Ca 0.70 -0.74 -0.04 0.00 0.36 0.00 0.00 54.97 55.25 3mr4 s GLU 82 Cb -0.25 -2.36 0.03 0.00 0.26 0.00 0.00 34.13 31.82 3mr4 s GLU 82 CO 0.47 0.61 0.17 -1.12 -0.54 0.00 0.00 175.26 174.86 3mr4 s SER 83 N -0.86 -0.16 -1.54 -1.70 0.01 0.14 -4.85 113.70 104.74 3mr4 s SER 83 Ca 0.12 0.36 -0.12 0.00 1.31 0.00 0.00 55.95 57.63 3mr4 s SER 83 Cb -0.11 0.28 0.08 0.00 0.21 0.00 0.00 66.02 66.48 3mr4 s SER 83 CO 0.01 -0.13 0.82 0.54 0.41 0.00 0.00 173.24 174.89 3mr4 n ARG 84 N 3.90 -4.49 -0.88 12.44 1.74 -1.26 -0.32 116.66 127.79 3mr4 n ARG 84 Ca -0.23 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 3mr4 n ARG 84 Cb 0.54 -5.21 0.00 0.00 -1.02 0.00 0.00 32.46 26.77 3mr4 n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mr4 n GLY 85 N -1.64 0.33 3.42 -0.13 0.00 -1.26 -4.91 105.19 101.00 3mr4 n GLY 85 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 3mr4 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mr4 s LYS 86 N -0.84 1.68 0.57 1.61 -2.85 0.56 -5.10 119.74 115.37 3mr4 s LYS 86 Ca 0.00 -1.97 -0.19 0.00 -1.00 0.00 0.00 55.97 52.81 3mr4 s LYS 86 Cb 0.00 -0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 35.22 3mr4 s LYS 86 CO 0.00 -0.36 1.19 0.00 0.10 0.00 0.00 175.35 176.28 3mr4 s ALA 87 N -3.42 2.63 -0.26 0.59 0.00 -1.26 0.25 121.76 120.28 3mr4 s ALA 87 Ca 0.33 0.96 -0.00 0.00 0.00 0.00 0.00 51.96 53.24 3mr4 s ALA 87 Cb 0.06 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.80 3mr4 s ALA 87 CO 0.15 -1.01 -0.06 1.21 0.00 0.00 0.00 175.76 176.05 3mr4 s ASN 88 N -1.61 4.45 -0.17 0.00 3.84 -0.31 -4.65 114.94 116.48 3mr4 s ASN 88 Ca 0.75 -1.11 0.16 0.00 0.21 0.00 0.00 52.86 52.87 3mr4 s ASN 88 Cb -0.29 -1.64 0.58 0.00 -0.55 0.00 0.00 41.25 39.36 3mr4 s ASN 88 CO 0.32 -0.18 1.49 0.18 -2.79 0.00 0.00 177.10 176.12 3mr4 n LEU 89 N 4.60 4.23 -0.19 3.21 4.77 -1.26 -4.27 117.00 128.08 3mr4 n LEU 89 Ca -0.15 -2.90 -0.01 0.00 -0.03 0.00 0.00 56.01 52.92 3mr4 n LEU 89 Cb 0.45 -0.55 0.09 0.00 -2.33 0.00 0.00 43.42 41.08 3mr4 n LEU 89 CO 0.25 0.68 0.99 0.74 -1.33 0.00 0.00 177.39 178.72 3mr4 h THR 90 N 2.37 0.80 -0.78 -5.08 2.02 -1.98 -2.09 112.91 108.16 3mr4 h THR 90 Ca 0.00 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 3mr4 h THR 90 Cb 1.50 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 3mr4 h THR 90 CO 0.26 0.07 0.41 0.07 0.37 0.00 0.00 175.52 176.70 3mr4 h LYS 91 N 0.41 1.10 -0.27 6.66 2.10 -1.99 -0.89 116.57 123.69 3mr4 h LYS 91 Ca 0.28 -0.13 -0.07 0.00 -2.00 0.00 0.00 60.65 58.73 3mr4 h LYS 91 Cb 0.33 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 3mr4 h LYS 91 CO -0.28 0.82 -0.12 1.88 -2.00 0.00 0.00 179.45 179.75 3mr4 h TYR 92 N 1.10 0.64 -0.90 0.07 0.05 -1.84 -0.68 116.97 115.40 3mr4 h TYR 92 Ca 0.27 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.91 3mr4 h TYR 92 Cb 0.06 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 37.60 3mr4 h TYR 92 CO 0.01 0.80 0.60 0.00 -1.05 0.00 0.00 178.16 178.52 3mr4 h ARG 93 N 0.30 1.16 -0.25 4.88 3.08 -1.13 0.27 114.38 122.70 3mr4 h ARG 93 Ca 0.06 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 3mr4 h ARG 93 Cb 0.63 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3mr4 h ARG 93 CO 0.04 0.77 -0.25 0.93 -1.07 0.00 0.00 179.97 180.39 3mr4 h GLU 94 N 1.20 0.48 -0.10 0.04 5.08 -0.94 -2.02 114.58 118.32 3mr4 h GLU 94 Ca 0.34 -0.18 -0.21 0.00 -1.00 0.00 0.00 59.36 58.30 3mr4 h GLU 94 Cb -0.10 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.13 3mr4 h GLU 94 CO -0.08 0.70 -0.80 0.00 -1.00 0.00 0.00 179.01 177.82 3mr4 h ALA 95 N 1.31 0.40 -0.33 3.43 0.00 -0.05 -3.04 119.26 120.97 3mr4 h ALA 95 Ca 0.06 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.39 3mr4 h ALA 95 Cb 0.67 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3mr4 h ALA 95 CO 0.05 0.72 0.09 1.03 0.00 0.00 0.00 179.25 181.14 3mr4 h SER 96 N 0.41 0.06 -0.90 0.00 0.87 -0.22 -2.06 113.55 111.71 3mr4 h SER 96 Ca -0.05 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 3mr4 h SER 96 Cb 1.42 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 63.37 3mr4 h SER 96 CO 0.15 0.07 0.58 0.58 -0.53 0.00 0.00 176.83 177.68 3mr4 h VAL 97 N 0.22 1.10 -0.08 2.23 2.07 -1.37 -1.98 116.25 118.43 3mr4 h VAL 97 Ca 0.15 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3mr4 h VAL 97 Cb 0.15 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 3mr4 h VAL 97 CO -0.18 0.20 -0.14 -0.33 0.02 0.00 0.00 177.57 177.13 3mr4 h GLU 98 N 1.08 -0.18 -0.35 1.57 5.08 -1.26 -1.31 114.58 119.20 3mr4 h GLU 98 Ca 0.38 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 3mr4 h GLU 98 Cb 0.10 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3mr4 h GLU 98 CO -0.15 -0.12 0.19 0.28 -1.00 0.00 0.00 179.01 178.21 3mr4 h VAL 99 N -0.19 1.14 -0.94 3.13 2.07 -1.15 -2.96 116.25 117.35 3mr4 h VAL 99 Ca 0.08 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3mr4 h VAL 99 Cb 0.30 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 3mr4 h VAL 99 CO -0.20 0.15 0.60 0.24 0.02 0.00 0.00 177.57 178.38 3mr4 h MET 100 N 0.44 1.25 -0.80 1.57 2.86 -1.14 -1.63 114.93 117.49 3mr4 h MET 100 Ca 0.12 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3mr4 h MET 100 Cb 0.07 -0.28 -0.04 0.00 0.06 0.00 0.00 31.60 31.41 3mr4 h MET 100 CO -0.02 0.85 0.47 0.93 1.06 0.00 0.00 176.91 180.19 3mr4 h GLU 101 N 1.28 1.09 -0.50 1.72 5.08 -1.11 -1.59 114.58 120.55 3mr4 h GLU 101 Ca 0.34 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 3mr4 h GLU 101 Cb -0.12 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.89 3mr4 h GLU 101 CO -0.07 0.77 -0.14 0.82 -1.00 0.00 0.00 179.01 179.39 3mr4 h ILE 102 N 1.10 1.27 -0.43 3.13 2.04 -1.17 -3.13 117.51 120.32 3mr4 h ILE 102 Ca 0.28 -1.29 -0.14 0.00 1.00 0.00 0.00 64.86 64.71 3mr4 h ILE 102 Cb -0.02 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3mr4 h ILE 102 CO -0.05 0.45 -0.29 0.24 0.00 0.00 0.00 178.15 178.50 3mr4 h MET 103 N 0.85 0.95 -0.06 2.37 2.86 -0.95 -2.93 114.93 118.02 3mr4 h MET 103 Ca 0.13 -0.45 0.02 0.00 -2.06 0.00 0.00 59.70 57.34 3mr4 h MET 103 Cb 0.70 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 3mr4 h MET 103 CO 0.05 1.11 0.14 0.66 1.06 0.00 0.00 176.91 179.94 3mr4 h SER 104 N 0.80 0.00 -0.17 1.22 4.64 -1.24 -0.33 113.55 118.47 3mr4 h SER 104 Ca 0.09 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.29 3mr4 h SER 104 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 3mr4 h SER 104 CO 0.08 0.00 -0.31 0.03 -0.87 0.00 0.00 176.83 175.76 3mr4 h ARG 105 N 0.00 0.66 0.07 4.77 3.08 -1.51 -3.24 114.38 118.20 3mr4 h ARG 105 Ca 0.03 -0.29 -0.25 0.00 0.07 0.00 0.00 59.98 59.53 3mr4 h ARG 105 Cb 0.31 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3mr4 h ARG 105 CO -0.00 0.88 -1.17 0.74 -1.07 0.00 0.00 179.97 179.36 3mr4 h PHE 106 N 0.56 0.28 -2.08 3.04 -1.00 -1.20 -3.48 116.94 113.07 3mr4 h PHE 106 Ca 0.07 -0.20 0.17 0.00 2.81 0.00 0.00 57.97 60.81 3mr4 h PHE 106 Cb 0.80 -0.01 -0.14 0.00 3.61 0.00 0.00 35.95 40.21 3mr4 h PHE 106 CO 0.04 1.17 0.58 0.00 -1.61 0.00 0.00 178.31 178.48 3mr4 s ALA 107 N -2.67 -1.86 0.47 2.45 0.00 -1.06 -4.96 121.76 114.12 3mr4 s ALA 107 Ca -0.02 0.87 -0.21 0.00 0.00 0.00 0.00 51.96 52.60 3mr4 s ALA 107 Cb 0.08 0.38 -0.08 0.00 0.00 0.00 0.00 23.12 23.49 3mr4 s ALA 107 CO 0.86 -0.79 1.05 0.14 0.00 0.00 0.00 175.76 177.01 3mr4 s VAL 108 N -2.97 3.71 0.25 0.00 -7.23 -1.26 -3.79 120.40 109.10 3mr4 s VAL 108 Ca 0.08 1.12 0.09 0.00 -1.81 0.00 0.00 61.98 61.46 3mr4 s VAL 108 Cb -0.01 -3.48 -0.05 0.00 0.56 0.00 0.00 36.38 33.40 3mr4 s VAL 108 CO -0.05 -0.18 -0.14 0.27 -0.31 0.00 0.00 175.10 174.69 3mr4 s ILE 109 N -1.89 1.95 -0.26 -0.62 -4.36 -1.26 -4.11 121.20 110.64 3mr4 s ILE 109 Ca 0.66 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.81 3mr4 s ILE 109 Cb -0.18 -2.24 0.05 0.00 1.25 0.00 0.00 42.46 41.34 3mr4 s ILE 109 CO 0.22 -0.46 -0.08 -0.70 0.24 0.00 0.00 174.94 174.16 3mr4 s GLU 110 N -3.62 2.44 -0.24 0.37 2.12 0.15 -2.31 118.70 117.62 3mr4 s GLU 110 Ca 0.27 -1.23 -0.29 0.00 0.36 0.00 0.00 54.97 54.08 3mr4 s GLU 110 Cb -0.01 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.42 3mr4 s GLU 110 CO 0.11 -0.53 1.32 0.50 -0.54 0.00 0.00 175.26 176.13 3mr4 s ARG 111 N 1.19 4.02 0.03 4.30 3.52 -0.04 -0.22 118.95 131.75 3mr4 s ARG 111 Ca -0.05 1.45 0.22 0.00 -0.13 0.00 0.00 55.73 57.22 3mr4 s ARG 111 Cb -0.19 -3.86 -0.18 0.00 -1.56 0.00 0.00 34.95 29.16 3mr4 s ARG 111 CO -0.05 -0.99 0.75 0.00 -0.81 0.00 0.00 175.30 174.20 3mr4 n ALA 112 N 7.34 3.09 -3.58 6.12 0.00 -0.34 -4.93 120.51 128.21 3mr4 n ALA 112 Ca 0.15 -0.45 0.03 0.00 0.00 0.00 0.00 53.44 53.17 3mr4 n ALA 112 Cb 0.46 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 19.06 3mr4 n ALA 112 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mr4 n SER 113 N -2.19 -1.31 0.19 0.00 3.41 -0.85 -4.97 113.62 107.89 3mr4 n SER 113 Ca -0.01 -1.78 0.04 0.00 -0.26 0.00 0.00 58.87 56.86 3mr4 n SER 113 Cb 0.51 2.16 0.46 0.00 -0.26 0.00 0.00 64.21 67.08 3mr4 n SER 113 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3mr4 h ILE 114 N 1.67 1.15 0.00 -1.33 2.10 -2.01 -3.19 117.51 115.90 3mr4 h ILE 114 Ca -0.20 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 65.05 3mr4 h ILE 114 Cb 0.82 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 37.85 3mr4 h ILE 114 CO 0.26 0.20 -0.01 -0.90 -1.08 0.00 0.00 178.15 176.62 3mr4 n ASP 115 N -4.30 2.10 -3.81 2.19 3.85 -1.26 -4.63 116.55 110.68 3mr4 n ASP 115 Ca -0.02 -2.55 -0.11 0.00 -0.71 0.00 0.00 54.79 51.40 3mr4 n ASP 115 Cb 0.25 -0.23 -0.08 0.00 -1.35 0.00 0.00 41.12 39.71 3mr4 n ASP 115 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3mr4 s GLU 116 N -1.94 0.67 -0.07 0.11 -1.05 -1.21 -1.41 118.70 113.81 3mr4 s GLU 116 Ca 0.17 -0.47 -0.19 0.00 -0.15 0.00 0.00 54.97 54.32 3mr4 s GLU 116 Cb 0.15 0.29 0.04 0.00 -0.44 0.00 0.00 34.13 34.16 3mr4 s GLU 116 CO 0.02 -0.19 0.44 0.00 0.95 0.00 0.00 175.26 176.48 3mr4 s ALA 117 N -2.10 -1.13 0.13 -0.84 0.00 -0.87 -1.19 121.76 115.75 3mr4 s ALA 117 Ca -0.09 0.85 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 3mr4 s ALA 117 Cb -0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 3mr4 s ALA 117 CO -0.01 -0.28 0.45 0.71 0.00 0.00 0.00 175.76 176.63 3mr4 s TYR 118 N -0.85 3.54 -0.05 0.00 1.51 0.69 -1.93 117.35 120.26 3mr4 s TYR 118 Ca -0.09 0.80 0.03 0.00 -1.01 0.00 0.00 57.07 56.80 3mr4 s TYR 118 Cb -0.03 -2.18 0.01 0.00 -0.11 0.00 0.00 41.96 39.64 3mr4 s TYR 118 CO 0.05 0.44 -0.12 0.08 -1.11 0.00 0.00 175.55 174.89 3mr4 s VAL 119 N -1.53 1.05 -0.44 0.71 1.01 0.96 -0.67 120.40 121.48 3mr4 s VAL 119 Ca 0.38 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 3mr4 s VAL 119 Cb -0.13 -0.95 0.07 0.00 0.00 0.00 0.00 36.38 35.38 3mr4 s VAL 119 CO 0.20 0.33 0.33 -0.62 0.00 0.00 0.00 175.10 175.33 3mr4 s ASP 120 N 0.44 5.91 0.00 3.32 -1.08 -1.26 -0.94 116.67 123.06 3mr4 s ASP 120 Ca -0.09 -1.39 0.20 0.00 -0.52 0.00 0.00 52.55 50.75 3mr4 s ASP 120 Cb -0.13 -2.09 0.53 0.00 -1.46 0.00 0.00 42.92 39.77 3mr4 s ASP 120 CO 0.02 -0.59 1.44 0.18 0.52 0.00 0.00 175.17 176.74 3mr4 n LEU 121 N 5.07 2.95 -0.16 -1.34 4.77 -0.34 -4.63 117.00 123.32 3mr4 n LEU 121 Ca -0.11 -1.38 -0.02 0.00 -0.03 0.00 0.00 56.01 54.46 3mr4 n LEU 121 Cb 0.43 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3mr4 n LEU 121 CO 0.43 0.69 0.81 0.74 -1.33 0.00 0.00 177.39 178.73 3mr4 h THR 122 N 3.48 0.55 -0.16 -5.08 2.02 -1.92 -0.46 112.91 111.35 3mr4 h THR 122 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3mr4 h THR 122 Cb 0.78 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3mr4 h THR 122 CO 0.00 0.01 0.01 0.28 0.37 0.00 0.00 175.52 176.19 3mr4 h SER 123 N 0.06 0.26 -0.70 4.18 0.02 -1.95 -2.92 113.55 112.51 3mr4 h SER 123 Ca 0.25 -0.30 0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3mr4 h SER 123 Cb 0.38 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 3mr4 h SER 123 CO -0.47 0.50 0.46 0.00 -1.14 0.00 0.00 176.83 176.18 3mr4 h ALA 124 N 0.78 1.69 -0.59 3.77 0.00 -1.80 -1.66 119.26 121.44 3mr4 h ALA 124 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3mr4 h ALA 124 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3mr4 h ALA 124 CO 0.01 0.21 0.02 0.28 0.00 0.00 0.00 179.25 179.76 3mr4 h VAL 125 N 0.75 1.26 0.05 0.00 2.07 -0.94 -0.70 116.25 118.74 3mr4 h VAL 125 Ca 0.29 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3mr4 h VAL 125 Cb 0.21 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3mr4 h VAL 125 CO -0.09 0.40 -0.02 1.56 0.02 0.00 0.00 177.57 179.44 3mr4 h GLN 126 N 0.94 -0.06 -0.62 1.57 1.08 -1.14 -0.64 115.11 116.24 3mr4 h GLN 126 Ca 0.17 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.45 3mr4 h GLN 126 Cb 0.52 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.90 3mr4 h GLN 126 CO 0.03 -0.01 0.29 0.93 -0.95 0.00 0.00 178.83 179.12 3mr4 h GLU 127 N -0.10 0.51 -0.52 1.46 5.08 -1.28 0.14 114.58 119.87 3mr4 h GLU 127 Ca -0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3mr4 h GLU 127 Cb 0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3mr4 h GLU 127 CO 0.01 0.34 0.20 -0.09 -1.00 0.00 0.00 179.01 178.46 3mr4 h ARG 128 N 0.52 0.75 -0.34 2.33 9.65 -0.82 0.49 114.38 126.97 3mr4 h ARG 128 Ca 0.30 -0.11 -0.13 0.00 -1.10 0.00 0.00 59.98 58.94 3mr4 h ARG 128 Cb 0.29 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 3mr4 h ARG 128 CO -0.24 0.62 -0.31 -0.07 2.80 0.00 0.00 179.97 182.77 3mr4 h LEU 129 N 0.74 0.74 -0.11 3.80 3.38 0.59 -0.17 115.31 124.28 3mr4 h LEU 129 Ca 0.18 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3mr4 h LEU 129 Cb 0.16 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3mr4 h LEU 129 CO -0.02 1.00 0.02 1.56 0.09 0.00 0.00 178.44 181.09 3mr4 h GLN 130 N 0.61 0.18 -0.37 1.13 4.20 -0.00 -3.24 115.11 117.62 3mr4 h GLN 130 Ca 0.07 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 3mr4 h GLN 130 Cb 0.82 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3mr4 h GLN 130 CO 0.07 0.39 -0.24 0.87 -0.67 0.00 0.00 178.83 179.25 3mr4 h LYS 131 N -0.05 0.74 -0.56 1.46 1.57 -0.84 -3.10 116.57 115.78 3mr4 h LYS 131 Ca 0.03 -0.30 0.04 0.00 -1.87 0.00 0.00 60.65 58.56 3mr4 h LYS 131 Cb 0.30 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3mr4 h LYS 131 CO 0.00 0.90 0.37 -0.07 -0.57 0.00 0.00 179.45 180.09 3mr4 h LEU 132 N 0.64 0.52 -0.97 2.94 3.38 -1.06 -3.47 115.31 117.30 3mr4 h LEU 132 Ca 0.09 -0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.72 3mr4 h LEU 132 Cb 0.74 -0.12 0.12 0.00 0.09 0.00 0.00 40.66 41.50 3mr4 h LEU 132 CO 0.06 0.35 -0.59 0.00 0.09 0.00 0.00 178.44 178.35 3mr4 n GLN 133 N -4.47 -6.74 -0.77 1.13 6.02 -1.18 -3.28 117.38 108.09 3mr4 n GLN 133 Ca 0.07 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.78 3mr4 n GLN 133 Cb 0.18 -5.41 0.00 0.00 1.02 0.00 0.00 30.24 26.02 3mr4 n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mr4 n GLY 134 N -1.72 1.13 3.77 1.08 0.00 -1.26 -5.03 105.19 103.15 3mr4 n GLY 134 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3mr4 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mr4 s GLN 135 N -0.13 3.89 0.89 1.61 -1.52 -1.21 -5.00 119.66 118.19 3mr4 s GLN 135 Ca 0.00 1.71 -0.11 0.00 -1.95 0.00 0.00 55.36 55.01 3mr4 s GLN 135 Cb 0.00 -2.46 0.13 0.00 -0.22 0.00 0.00 33.01 30.45 3mr4 s GLN 135 CO 0.00 -0.43 1.10 -2.14 -0.25 0.00 0.00 175.29 173.57 3mr4 s PRO 136 N -2.61 1.28 -0.35 2.91 0.02 -1.26 -5.01 135.00 129.97 3mr4 s PRO 136 Ca 0.61 1.08 -0.10 0.00 0.02 0.00 0.00 61.00 62.61 3mr4 s PRO 136 Cb -0.27 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.48 3mr4 s PRO 136 CO 0.33 -2.30 0.19 0.42 -0.33 0.00 0.00 177.00 175.31 3mr4 s ILE 137 N -2.82 4.56 0.36 2.83 1.01 -1.26 -5.07 121.20 120.80 3mr4 s ILE 137 Ca 0.64 -0.74 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 3mr4 s ILE 137 Cb -0.19 -3.48 -0.10 0.00 0.01 0.00 0.00 42.46 38.70 3mr4 s ILE 137 CO 0.58 -0.14 0.80 -0.94 0.00 0.00 0.00 174.94 175.24 3mr4 s SER 138 N 1.57 6.82 0.65 3.58 1.04 -1.26 -4.94 113.70 121.16 3mr4 s SER 138 Ca 0.03 1.40 0.38 0.00 0.48 0.00 0.00 55.95 58.24 3mr4 s SER 138 Cb -0.19 -2.42 2.08 0.00 0.10 0.00 0.00 66.02 65.59 3mr4 s SER 138 CO 0.06 -0.25 2.21 0.00 0.98 0.00 0.00 173.24 176.24 3mr4 h ALA 139 N 2.14 1.24 0.00 5.32 0.00 -1.96 -0.45 119.26 125.54 3mr4 h ALA 139 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3mr4 h ALA 139 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3mr4 h ALA 139 CO 0.64 -0.13 0.00 -0.44 0.00 0.00 0.00 179.25 179.32 3mr4 h ASP 140 N 0.00 0.00 0.80 0.00 3.45 -2.01 -0.57 116.42 118.09 3mr4 h ASP 140 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3mr4 h ASP 140 Cb 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3mr4 h ASP 140 CO -0.00 0.00 -0.04 0.18 -1.57 0.00 0.00 179.24 177.81 3mr4 n LEU 141 N -3.09 0.06 -3.18 1.55 4.77 -0.18 -4.08 117.00 112.86 3mr4 n LEU 141 Ca -0.00 0.37 -0.24 0.00 -0.03 0.00 0.00 56.01 56.11 3mr4 n LEU 141 Cb 0.24 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 3mr4 n LEU 141 CO 0.25 0.01 -0.06 0.18 -1.33 0.00 0.00 177.39 176.45 3mr4 n LEU 142 N -1.40 2.50 0.11 2.23 4.77 -0.22 -4.76 117.00 120.23 3mr4 n LEU 142 Ca 0.09 -5.25 0.05 0.00 -0.03 0.00 0.00 56.01 50.87 3mr4 n LEU 142 Cb 0.31 -0.02 0.48 0.00 -2.33 0.00 0.00 43.42 41.86 3mr4 n LEU 142 CO 0.26 2.21 1.06 1.55 -1.33 0.00 0.00 177.39 181.14 3mr4 h PRO 143 N 3.50 0.30 0.00 3.23 0.13 -1.71 -3.20 132.00 134.25 3mr4 h PRO 143 Ca 0.13 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3mr4 h PRO 143 Cb 0.74 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 3mr4 h PRO 143 CO 0.67 0.26 -0.21 -1.13 -0.23 0.00 0.00 178.00 177.36 3mr4 n SER 144 N -4.44 2.06 -4.81 1.44 3.41 -1.26 -5.05 113.62 104.97 3mr4 n SER 144 Ca 0.00 -3.38 -0.37 0.00 -0.26 0.00 0.00 58.87 54.85 3mr4 n SER 144 Cb 0.13 -0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 63.55 3mr4 n SER 144 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mr4 s THR 145 N -2.96 5.20 -0.07 6.66 2.01 -1.21 -0.64 115.64 124.64 3mr4 s THR 145 Ca 0.34 0.65 0.04 0.00 0.31 0.00 0.00 61.69 63.02 3mr4 s THR 145 Cb 0.31 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 3mr4 s THR 145 CO -0.01 0.53 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.97 3mr4 s TYR 146 N -0.61 2.65 -0.35 4.92 2.02 0.34 -4.87 117.35 121.45 3mr4 s TYR 146 Ca 0.20 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.41 3mr4 s TYR 146 Cb -0.15 -1.66 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 3mr4 s TYR 146 CO 0.09 0.01 0.19 0.42 -1.57 0.00 0.00 175.55 174.69 3mr4 s ILE 147 N -0.37 4.60 0.19 2.71 -1.09 -1.26 -0.79 121.20 125.18 3mr4 s ILE 147 Ca 0.03 -0.71 -0.32 0.00 -2.23 0.00 0.00 60.65 57.43 3mr4 s ILE 147 Cb -0.12 -3.49 -0.11 0.00 -1.58 0.00 0.00 42.46 37.15 3mr4 s ILE 147 CO 0.02 -0.14 1.69 -0.70 -1.23 0.00 0.00 174.94 174.59 3mr4 s GLU 148 N 1.58 4.15 0.00 2.79 2.56 -0.57 -2.32 118.70 126.88 3mr4 s GLU 148 Ca 0.03 2.55 0.00 0.00 0.00 0.00 0.00 54.97 57.54 3mr4 s GLU 148 Cb -0.18 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.80 3mr4 s GLU 148 CO 0.07 -0.73 0.00 0.41 -0.56 0.00 0.00 175.26 174.45 3mr4 n GLY 149 N 3.95 0.70 3.39 -1.50 0.00 -1.26 -4.79 105.19 105.68 3mr4 n GLY 149 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3mr4 n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mr4 s LEU 150 N 0.00 2.41 0.80 0.99 1.43 -0.98 -4.50 118.68 118.83 3mr4 s LEU 150 Ca 0.00 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 3mr4 s LEU 150 Cb 0.00 -1.06 0.07 0.00 0.03 0.00 0.00 46.19 45.23 3mr4 s LEU 150 CO 0.00 0.08 1.14 -2.16 0.23 0.00 0.00 176.35 175.64 3mr4 s PRO 151 N -2.58 2.08 -0.30 1.29 0.04 -1.26 -4.64 135.00 129.63 3mr4 s PRO 151 Ca 0.18 0.32 -0.05 0.00 0.04 0.00 0.00 61.00 61.48 3mr4 s PRO 151 Cb -0.08 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.55 3mr4 s PRO 151 CO 0.08 -1.55 0.05 -0.65 0.04 0.00 0.00 177.00 174.97 3mr4 s GLN 152 N -5.40 2.74 0.00 4.56 -0.21 -1.26 -5.03 119.66 115.06 3mr4 s GLN 152 Ca 0.61 -1.08 0.00 0.00 0.02 0.00 0.00 55.36 54.91 3mr4 s GLN 152 Cb -0.12 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.59 3mr4 s GLN 152 CO 0.51 -0.55 0.00 0.41 -2.12 0.00 0.00 175.29 173.54 3mr4 n GLY 153 N 4.76 1.43 0.00 3.09 0.00 -1.26 -5.15 105.19 108.06 3mr4 n GLY 153 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3mr4 n GLY 153 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mr4 n VAL 161 N -1.63 0.00 0.12 1.61 0.31 -1.26 -5.20 118.33 112.28 3mr4 n VAL 161 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3mr4 n VAL 161 Cb 0.02 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.14 3mr4 n VAL 161 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3mr4 h GLN 162 N 0.00 0.12 -0.42 5.55 5.75 -2.07 -2.47 115.11 121.58 3mr4 h GLN 162 Ca 0.00 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3mr4 h GLN 162 Cb 0.00 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3mr4 h GLN 162 CO 0.00 0.62 0.29 0.87 -2.65 0.00 0.00 178.83 177.96 3mr4 h LYS 163 N 0.10 0.21 -0.33 1.69 1.79 -2.06 0.42 116.57 118.39 3mr4 h LYS 163 Ca -0.00 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 3mr4 h LYS 163 Cb 0.97 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.56 3mr4 h LYS 163 CO 0.08 0.14 0.04 1.49 -1.08 0.00 0.00 179.45 180.12 3mr4 h GLU 164 N 0.22 0.48 -0.41 3.15 4.57 -1.89 -2.01 114.58 118.69 3mr4 h GLU 164 Ca 0.19 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 3mr4 h GLU 164 Cb 0.48 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 3mr4 h GLU 164 CO -0.03 0.48 0.09 0.78 -1.18 0.00 0.00 179.01 179.15 3mr4 h GLY 165 N 0.75 0.71 1.03 1.92 0.00 -0.24 -2.64 103.07 104.60 3mr4 h GLY 165 Ca 0.11 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3mr4 h GLY 165 CO 0.00 0.42 0.22 -0.33 0.00 0.00 0.00 176.54 176.85 3mr4 h MET 166 N 0.52 1.03 -0.24 4.80 2.86 -1.17 -2.25 114.93 120.48 3mr4 h MET 166 Ca 0.13 -0.22 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3mr4 h MET 166 Cb 0.33 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 3mr4 h MET 166 CO 0.00 0.89 0.05 -0.09 1.06 0.00 0.00 176.91 178.82 3mr4 h ARG 167 N 0.96 0.14 -0.29 1.72 2.43 -1.25 0.49 114.38 118.58 3mr4 h ARG 167 Ca 0.22 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 3mr4 h ARG 167 Cb 0.28 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3mr4 h ARG 167 CO -0.01 0.09 -0.27 0.87 -1.51 0.00 0.00 179.97 179.14 3mr4 h LYS 168 N 0.14 0.58 -0.31 0.20 1.57 -1.37 0.36 116.57 117.75 3mr4 h LYS 168 Ca 0.11 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 3mr4 h LYS 168 Cb 0.11 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3mr4 h LYS 168 CO -0.15 0.80 0.01 0.37 -0.57 0.00 0.00 179.45 179.91 3mr4 h GLN 169 N 0.51 0.53 -0.82 3.15 4.15 -1.05 0.12 115.11 121.69 3mr4 h GLN 169 Ca 0.07 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 3mr4 h GLN 169 Cb 0.73 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.34 3mr4 h GLN 169 CO 0.06 0.66 0.37 0.78 -1.93 0.00 0.00 178.83 178.77 3mr4 h GLY 170 N 0.33 1.28 1.11 2.39 0.00 -0.73 -1.99 103.07 105.46 3mr4 h GLY 170 Ca 0.09 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 3mr4 h GLY 170 CO 0.01 0.62 0.17 -2.00 0.00 0.00 0.00 176.54 175.34 3mr4 h LEU 171 N 1.17 1.04 -0.63 3.11 5.85 -0.60 -2.15 115.31 123.10 3mr4 h LEU 171 Ca 0.28 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 3mr4 h LEU 171 Cb 0.15 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3mr4 h LEU 171 CO -0.03 1.00 -0.10 -0.26 -0.34 0.00 0.00 178.44 178.71 3mr4 h PHE 172 N 1.05 1.07 -0.44 1.25 0.04 -0.35 -0.55 116.94 119.01 3mr4 h PHE 172 Ca 0.22 -0.21 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 3mr4 h PHE 172 Cb 0.36 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 3mr4 h PHE 172 CO 0.03 1.00 -0.16 1.96 -0.60 0.00 0.00 178.31 180.54 3mr4 h GLN 173 N 0.87 0.83 0.29 1.51 4.20 -1.27 0.10 115.11 121.63 3mr4 h GLN 173 Ca 0.14 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3mr4 h GLN 173 Cb 0.65 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3mr4 h GLN 173 CO 0.04 0.93 -0.14 2.35 -0.67 0.00 0.00 178.83 181.35 3mr4 h TRP 174 N 0.74 -0.36 -0.70 2.96 2.91 -1.12 -2.62 115.95 117.77 3mr4 h TRP 174 Ca 0.11 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.09 3mr4 h TRP 174 Cb 0.67 0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 29.41 3mr4 h TRP 174 CO 0.04 -0.18 0.28 -0.07 -1.03 0.00 0.00 178.44 177.49 3mr4 h LEU 175 N -0.45 0.94 -1.80 0.65 3.38 -0.95 -2.74 115.31 114.34 3mr4 h LEU 175 Ca -0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3mr4 h LEU 175 Cb 0.34 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3mr4 h LEU 175 CO 0.06 0.83 -0.09 0.44 0.09 0.00 0.00 178.44 179.77 3mr4 h ASP 176 N 1.01 0.00 -0.02 -0.43 5.19 -0.66 -2.89 116.42 118.61 3mr4 h ASP 176 Ca 0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3mr4 h ASP 176 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3mr4 h ASP 176 CO -0.02 0.09 -0.06 -1.20 -3.12 0.00 0.00 179.24 174.94 3mr4 n SER 177 N -3.38 2.76 -4.77 6.45 7.64 -1.00 -4.99 113.62 116.33 3mr4 n SER 177 Ca -0.01 -1.90 -0.35 0.00 1.01 0.00 0.00 58.87 57.62 3mr4 n SER 177 Cb 0.27 0.06 0.02 0.00 -1.01 0.00 0.00 64.21 63.54 3mr4 n SER 177 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3mr4 s LEU 178 N -2.06 3.70 0.35 -3.43 1.43 -1.09 -4.99 118.68 112.59 3mr4 s LEU 178 Ca 0.28 2.25 -0.28 0.00 -1.03 0.00 0.00 54.13 55.35 3mr4 s LEU 178 Cb 0.20 -4.59 -0.10 0.00 0.03 0.00 0.00 46.19 41.74 3mr4 s LEU 178 CO 0.34 -1.38 1.27 -1.10 0.23 0.00 0.00 176.35 175.71 3mr4 s GLN 179 N -3.33 4.26 -0.23 1.70 -1.52 -1.26 -4.96 119.66 114.31 3mr4 s GLN 179 Ca 0.74 2.12 -0.01 0.00 -1.95 0.00 0.00 55.36 56.27 3mr4 s GLN 179 Cb -0.26 -2.96 -0.14 0.00 -0.22 0.00 0.00 33.01 29.42 3mr4 s GLN 179 CO 0.30 -0.24 -0.22 -0.89 -0.25 0.00 0.00 175.29 173.99 3mr4 n ILE 180 N 0.59 1.32 -0.01 1.08 5.41 -1.26 -4.73 119.36 121.76 3mr4 n ILE 180 Ca 0.01 -0.48 -0.13 0.00 1.00 0.00 0.00 62.75 63.15 3mr4 n ILE 180 Cb 0.43 -1.40 -0.14 0.00 -0.71 0.00 0.00 39.64 37.82 3mr4 n ILE 180 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3mr4 n ASP 181 N -3.32 1.31 -4.52 4.38 8.00 -1.26 -4.79 116.55 116.34 3mr4 n ASP 181 Ca -0.42 0.33 -0.42 0.00 0.71 0.00 0.00 54.79 54.99 3mr4 n ASP 181 Cb 0.92 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 3mr4 n ASP 181 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3mr4 s ASN 182 N -6.42 6.17 0.22 -2.24 3.84 -1.26 -4.88 114.94 110.37 3mr4 s ASN 182 Ca -0.11 -0.64 0.23 0.00 0.21 0.00 0.00 52.86 52.55 3mr4 s ASN 182 Cb 0.07 -2.51 0.92 0.00 -0.55 0.00 0.00 41.25 39.18 3mr4 s ASN 182 CO 0.80 -1.71 1.69 0.18 -2.79 0.00 0.00 177.10 175.27 3mr4 n LEU 183 N 8.84 0.58 -0.99 3.21 4.32 -1.26 -2.54 117.00 129.15 3mr4 n LEU 183 Ca 0.01 0.63 0.11 0.00 -0.02 0.00 0.00 56.01 56.75 3mr4 n LEU 183 Cb 0.48 -0.54 0.26 0.00 -1.62 0.00 0.00 43.42 42.00 3mr4 n LEU 183 CO 0.69 -0.48 0.72 0.35 -1.22 0.00 0.00 177.39 177.45 3mr4 n THR 184 N -2.13 0.48 -1.71 -5.08 -2.24 -1.26 -4.77 114.28 97.57 3mr4 n THR 184 Ca 0.03 -0.65 -0.42 0.00 -2.27 0.00 0.00 64.05 60.73 3mr4 n THR 184 Cb 0.24 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 3mr4 n THR 184 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3mr4 s SER 185 N -1.41 6.47 0.21 3.42 0.15 -1.05 -4.54 113.70 116.94 3mr4 s SER 185 Ca 0.37 2.64 -0.12 0.00 0.70 0.00 0.00 55.95 59.55 3mr4 s SER 185 Cb 0.21 -2.53 0.27 0.00 -1.71 0.00 0.00 66.02 62.25 3mr4 s SER 185 CO 0.29 -1.04 1.66 -0.65 1.20 0.00 0.00 173.24 174.70 3mr4 h PRO 186 N 10.29 0.08 -0.94 5.44 0.11 -1.91 -0.40 132.00 144.66 3mr4 h PRO 186 Ca -0.48 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.64 3mr4 h PRO 186 Cb 1.23 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 3mr4 h PRO 186 CO 0.94 0.05 0.62 -0.44 -0.21 0.00 0.00 178.00 178.97 3mr4 h ASP 187 N 0.08 1.06 -0.19 -2.05 3.32 -1.97 0.01 116.42 116.69 3mr4 h ASP 187 Ca 0.31 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.20 3mr4 h ASP 187 Cb 0.49 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3mr4 h ASP 187 CO -0.54 0.75 -0.37 0.25 -1.72 0.00 0.00 179.24 177.60 3mr4 h LEU 188 N 1.24 0.76 -0.65 1.55 5.85 -1.60 -1.29 115.31 121.17 3mr4 h LEU 188 Ca 0.36 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3mr4 h LEU 188 Cb -0.09 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 3mr4 h LEU 188 CO -0.09 1.05 0.38 1.56 -0.34 0.00 0.00 178.44 180.99 3mr4 h GLN 189 N 0.59 0.90 -0.56 1.25 1.08 -0.41 -0.65 115.11 117.31 3mr4 h GLN 189 Ca 0.06 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 3mr4 h GLN 189 Cb 0.90 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.13 3mr4 h GLN 189 CO 0.08 0.66 0.23 -0.07 -0.95 0.00 0.00 178.83 178.78 3mr4 h LEU 190 N 0.89 0.77 -0.50 1.46 3.38 -0.81 -0.89 115.31 119.62 3mr4 h LEU 190 Ca 0.23 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3mr4 h LEU 190 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3mr4 h LEU 190 CO -0.04 0.73 0.30 0.74 0.09 0.00 0.00 178.44 180.25 3mr4 h THR 191 N 0.77 1.16 -0.45 0.22 2.02 -0.69 -0.34 112.91 115.60 3mr4 h THR 191 Ca 0.19 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 3mr4 h THR 191 Cb 0.19 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3mr4 h THR 191 CO -0.02 0.16 -0.06 0.58 0.37 0.00 0.00 175.52 176.55 3mr4 h VAL 192 N 0.66 1.25 -0.94 3.16 2.07 -0.98 -1.80 116.25 119.67 3mr4 h VAL 192 Ca 0.18 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.65 3mr4 h VAL 192 Cb 0.00 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3mr4 h VAL 192 CO -0.03 0.37 0.62 1.23 0.02 0.00 0.00 177.57 179.78 3mr4 h GLY 193 N 0.97 1.36 1.50 2.17 0.00 -0.25 -1.26 103.07 107.56 3mr4 h GLY 193 Ca 0.13 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3mr4 h GLY 193 CO 0.03 0.42 -0.26 0.00 0.00 0.00 0.00 176.54 176.73 3mr4 h ALA 194 N 1.44 1.00 -0.30 3.60 0.00 -0.46 -1.56 119.26 122.98 3mr4 h ALA 194 Ca 0.37 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mr4 h ALA 194 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3mr4 h ALA 194 CO -0.11 0.59 0.19 0.28 0.00 0.00 0.00 179.25 180.20 3mr4 h VAL 195 N 0.50 1.09 -0.72 0.00 2.07 -0.45 0.15 116.25 118.89 3mr4 h VAL 195 Ca 0.07 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3mr4 h VAL 195 Cb 0.72 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3mr4 h VAL 195 CO 0.06 0.09 0.29 0.40 0.02 0.00 0.00 177.57 178.43 3mr4 h ILE 196 N 0.39 1.24 -0.11 4.57 2.04 -1.07 -2.16 117.51 122.41 3mr4 h ILE 196 Ca 0.11 -0.76 -0.11 0.00 1.00 0.00 0.00 64.86 65.10 3mr4 h ILE 196 Cb -0.02 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3mr4 h ILE 196 CO -0.02 0.31 -0.40 0.58 0.00 0.00 0.00 178.15 178.62 3mr4 h VAL 197 N 1.05 1.30 -0.66 1.67 2.07 -0.69 -0.50 116.25 120.50 3mr4 h VAL 197 Ca 0.24 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 3mr4 h VAL 197 Cb 0.19 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3mr4 h VAL 197 CO -0.02 0.45 0.35 -0.33 0.02 0.00 0.00 177.57 178.03 3mr4 h GLU 198 N 0.21 0.93 -0.28 1.57 4.39 -0.08 0.33 114.58 121.64 3mr4 h GLU 198 Ca 0.02 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 3mr4 h GLU 198 Cb 0.80 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3mr4 h GLU 198 CO 0.06 0.71 0.01 0.93 -1.16 0.00 0.00 179.01 179.56 3mr4 h GLU 199 N 0.90 0.48 -0.25 2.33 5.08 -1.20 -1.18 114.58 120.75 3mr4 h GLU 199 Ca 0.23 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3mr4 h GLU 199 Cb 0.07 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 3mr4 h GLU 199 CO -0.03 0.63 -0.09 1.98 -1.00 0.00 0.00 179.01 180.49 3mr4 h MET 200 N 0.27 -0.04 -0.23 2.33 4.05 -0.61 -0.89 114.93 119.81 3mr4 h MET 200 Ca 0.08 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.43 3mr4 h MET 200 Cb 0.40 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 3mr4 h MET 200 CO 0.01 -0.03 -0.19 0.00 0.23 0.00 0.00 176.91 176.93 3mr4 h ARG 201 N -0.04 0.41 -0.50 0.39 3.08 -0.82 -1.89 114.38 115.01 3mr4 h ARG 201 Ca 0.13 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3mr4 h ARG 201 Cb 0.23 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3mr4 h ARG 201 CO -0.28 0.59 0.13 0.00 -1.07 0.00 0.00 179.97 179.33 3mr4 h ALA 202 N 1.43 0.65 -0.36 0.04 0.00 -0.49 -2.28 119.26 118.26 3mr4 h ALA 202 Ca 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3mr4 h ALA 202 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3mr4 h ALA 202 CO 0.04 0.33 0.16 0.00 0.00 0.00 0.00 179.25 179.78 3mr4 h ALA 203 N 1.00 0.46 -0.55 0.00 0.00 -0.88 -0.44 119.26 118.86 3mr4 h ALA 203 Ca 0.16 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.03 3mr4 h ALA 203 Cb 0.31 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3mr4 h ALA 203 CO -0.00 0.04 0.20 0.82 0.00 0.00 0.00 179.25 180.31 3mr4 h ILE 204 N 0.43 0.81 -0.23 0.00 2.04 -1.19 -0.43 117.51 118.94 3mr4 h ILE 204 Ca 0.12 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3mr4 h ILE 204 Cb 0.14 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3mr4 h ILE 204 CO -0.01 0.07 0.01 -0.08 0.00 0.00 0.00 178.15 178.13 3mr4 h GLU 205 N 0.39 0.41 -0.80 2.37 4.81 -1.11 -0.38 114.58 120.26 3mr4 h GLU 205 Ca 0.27 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3mr4 h GLU 205 Cb 0.30 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 3mr4 h GLU 205 CO -0.27 0.58 0.43 -0.09 -0.73 0.00 0.00 179.01 178.93 3mr4 h ARG 206 N 0.18 1.13 0.00 1.92 2.43 -0.79 0.67 114.38 119.92 3mr4 h ARG 206 Ca 0.07 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3mr4 h ARG 206 Cb 0.40 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3mr4 h ARG 206 CO 0.01 0.84 -0.68 0.93 -1.51 0.00 0.00 179.97 179.56 3mr4 h GLU 207 N 1.12 0.00 0.00 0.20 5.08 -1.07 -3.40 114.58 116.51 3mr4 h GLU 207 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3mr4 h GLU 207 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3mr4 h GLU 207 CO -0.04 0.07 -0.47 0.25 -1.00 0.00 0.00 179.01 177.82 3mr4 n THR 208 N -2.88 0.00 -0.23 1.13 -2.24 -0.16 -5.02 114.28 104.88 3mr4 n THR 208 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3mr4 n THR 208 Cb 0.59 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3mr4 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr4 n GLY 209 N 1.24 1.72 3.80 3.38 0.00 0.23 -5.01 105.19 110.56 3mr4 n GLY 209 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3mr4 n GLY 209 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mr4 s PHE 210 N -2.95 3.30 0.22 1.61 2.99 -1.26 -4.92 117.98 116.98 3mr4 s PHE 210 Ca 0.00 1.64 0.09 0.00 0.00 0.00 0.00 56.93 58.66 3mr4 s PHE 210 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 43.02 40.03 3mr4 s PHE 210 CO 0.00 -0.28 -0.05 -0.65 -0.00 0.00 0.00 175.22 174.25 3mr4 s GLN 211 N -2.90 2.19 0.36 0.44 -0.21 -1.26 -3.56 119.66 114.71 3mr4 s GLN 211 Ca 0.60 -1.33 -0.17 0.00 0.02 0.00 0.00 55.36 54.48 3mr4 s GLN 211 Cb -0.14 -2.17 0.05 0.00 1.00 0.00 0.00 33.01 31.75 3mr4 s GLN 211 CO 0.18 0.40 0.79 0.00 -2.12 0.00 0.00 175.29 174.55 3mr4 s SER 213 N -3.06 2.57 0.14 0.00 0.01 -0.72 -3.58 113.70 109.05 3mr4 s SER 213 Ca 0.15 -1.15 -0.09 0.00 1.31 0.00 0.00 55.95 56.18 3mr4 s SER 213 Cb -0.05 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 3mr4 s SER 213 CO 0.10 -0.32 0.25 0.00 0.41 0.00 0.00 173.24 173.69 3mr4 s ALA 214 N -3.06 -0.09 -0.03 1.44 0.00 -1.13 -1.29 121.76 117.60 3mr4 s ALA 214 Ca 0.27 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.49 3mr4 s ALA 214 Cb 0.03 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 3mr4 s ALA 214 CO 0.10 -0.60 -0.12 0.20 0.00 0.00 0.00 175.76 175.34 3mr4 s GLY 215 N -2.93 0.66 -0.11 0.00 0.00 0.36 -1.73 107.32 103.57 3mr4 s GLY 215 Ca 0.13 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.39 3mr4 s GLY 215 CO -0.04 -0.23 -0.16 -0.42 0.00 0.00 0.00 173.10 172.25 3mr4 s ILE 216 N 0.06 1.57 0.00 0.90 1.09 -0.32 -1.09 121.20 123.43 3mr4 s ILE 216 Ca -0.02 -0.69 0.00 0.00 -1.10 0.00 0.00 60.65 58.84 3mr4 s ILE 216 Cb -0.09 -1.43 0.00 0.00 -1.06 0.00 0.00 42.46 39.88 3mr4 s ILE 216 CO 0.01 0.46 0.00 -0.24 -0.10 0.00 0.00 174.94 175.06 3mr4 n SER 217 N 4.17 0.00 0.00 3.58 2.88 0.02 -1.28 113.62 122.99 3mr4 n SER 217 Ca -0.19 -0.61 0.12 0.00 -1.33 0.00 0.00 58.87 56.86 3mr4 n SER 217 Cb 0.51 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.20 3mr4 n SER 217 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3mr4 n HIS 218 N 0.00 0.04 -3.96 0.66 8.25 -1.26 -0.16 115.22 118.79 3mr4 n HIS 218 Ca 0.00 0.01 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 3mr4 n HIS 218 Cb 0.00 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 30.78 3mr4 n HIS 218 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3mr4 s ASN 219 N -3.10 -0.11 0.20 0.41 2.20 -1.26 -4.23 114.94 109.05 3mr4 s ASN 219 Ca 0.10 -0.87 -0.11 0.00 -0.94 0.00 0.00 52.86 51.04 3mr4 s ASN 219 Cb 0.17 0.58 0.15 0.00 -2.00 0.00 0.00 41.25 40.15 3mr4 s ASN 219 CO 0.71 -1.12 1.84 0.11 -2.94 0.00 0.00 177.10 175.69 3mr4 h LYS 220 N 2.26 0.75 0.01 3.55 1.57 -1.89 -1.05 116.57 121.77 3mr4 h LYS 220 Ca -0.26 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3mr4 h LYS 220 Cb 1.25 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3mr4 h LYS 220 CO 0.36 0.49 -0.04 0.28 -0.57 0.00 0.00 179.45 179.98 3mr4 h VAL 221 N 0.77 0.90 -0.24 0.50 2.07 -1.96 0.06 116.25 118.36 3mr4 h VAL 221 Ca 0.25 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.65 3mr4 h VAL 221 Cb 0.01 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3mr4 h VAL 221 CO -0.10 0.00 -0.37 -0.07 0.02 0.00 0.00 177.57 177.05 3mr4 h LEU 222 N -0.08 0.57 -0.55 2.57 3.38 -1.92 -1.62 115.31 117.67 3mr4 h LEU 222 Ca 0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 3mr4 h LEU 222 Cb 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3mr4 h LEU 222 CO -0.03 0.89 0.20 0.00 0.09 0.00 0.00 178.44 179.59 3mr4 h ALA 223 N 1.15 0.71 -0.41 1.53 0.00 -0.97 0.20 119.26 121.47 3mr4 h ALA 223 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3mr4 h ALA 223 Cb 0.85 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3mr4 h ALA 223 CO 0.07 0.34 0.02 -0.22 0.00 0.00 0.00 179.25 179.47 3mr4 h LYS 224 N 0.75 0.71 -0.68 0.00 3.64 -0.85 -1.58 116.57 118.56 3mr4 h LYS 224 Ca 0.18 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3mr4 h LYS 224 Cb 0.23 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3mr4 h LYS 224 CO -0.01 0.78 0.21 1.25 -2.27 0.00 0.00 179.45 179.40 3mr4 h LEU 225 N 0.55 0.99 -1.04 5.20 5.85 -1.11 -2.82 115.31 122.93 3mr4 h LEU 225 Ca 0.12 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3mr4 h LEU 225 Cb 0.44 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3mr4 h LEU 225 CO 0.02 0.94 0.07 0.00 -0.34 0.00 0.00 178.44 179.13 3mr4 h ALA 226 N 1.09 1.22 -0.84 1.25 0.00 -0.39 -3.01 119.26 118.56 3mr4 h ALA 226 Ca 0.22 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3mr4 h ALA 226 Cb 0.31 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3mr4 h ALA 226 CO -0.01 0.53 0.49 0.00 0.00 0.00 0.00 179.25 180.26 3mr4 n GLY 228 N -1.32 -1.26 0.28 0.00 0.00 -1.14 -3.94 105.19 97.81 3mr4 n GLY 228 Ca 0.14 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3mr4 n GLY 228 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mr4 h LEU 229 N 0.00 0.97 -6.86 0.99 3.38 -1.30 -3.39 115.31 109.10 3mr4 h LEU 229 Ca 0.00 -0.35 -0.59 0.00 0.09 0.00 0.00 57.88 57.03 3mr4 h LEU 229 Cb 0.27 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 40.36 3mr4 h LEU 229 CO 0.00 1.13 -0.78 0.20 0.09 0.00 0.00 178.44 179.08 3mr4 s ASN 230 N -6.72 3.48 0.15 -0.43 0.01 -1.25 -5.09 114.94 105.09 3mr4 s ASN 230 Ca -0.11 -2.16 0.11 0.00 -0.71 0.00 0.00 52.86 49.99 3mr4 s ASN 230 Cb 0.13 -0.72 -0.04 0.00 0.41 0.00 0.00 41.25 41.03 3mr4 s ASN 230 CO 0.86 -0.33 -0.26 -0.54 -1.51 0.00 0.00 177.10 175.32 3mr4 s LYS 231 N 1.01 1.43 0.45 -0.60 1.02 -1.26 -3.98 119.74 117.81 3mr4 s LYS 231 Ca 0.15 -1.40 0.08 0.00 0.02 0.00 0.00 55.97 54.82 3mr4 s LYS 231 Cb -0.22 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 35.23 3mr4 s LYS 231 CO -0.08 0.43 0.53 -1.25 -0.92 0.00 0.00 175.35 174.06 3mr4 s PRO 232 N -2.24 2.60 -1.54 -1.68 0.04 -1.26 -4.97 135.00 125.94 3mr4 s PRO 232 Ca 0.16 -1.47 -0.13 0.00 0.04 0.00 0.00 61.00 59.60 3mr4 s PRO 232 Cb -0.09 -2.56 0.09 0.00 0.04 0.00 0.00 34.50 31.98 3mr4 s PRO 232 CO 0.07 -0.36 0.91 -1.71 0.04 0.00 0.00 177.00 175.95 3mr4 n ASN 233 N -1.80 -4.13 -3.98 6.66 5.15 -1.23 -4.97 115.26 110.95 3mr4 n ASN 233 Ca 0.07 -0.83 -0.08 0.00 -0.60 0.00 0.00 54.58 53.14 3mr4 n ASN 233 Cb 0.61 -3.69 -0.09 0.00 -0.53 0.00 0.00 39.78 36.08 3mr4 n ASN 233 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3mr4 s ARG 234 N -6.62 0.79 0.07 1.20 1.81 -1.24 -4.93 118.95 110.03 3mr4 s ARG 234 Ca 0.60 -1.12 0.05 0.00 -1.72 0.00 0.00 55.73 53.54 3mr4 s ARG 234 Cb -0.31 0.29 -0.03 0.00 -0.45 0.00 0.00 34.95 34.45 3mr4 s ARG 234 CO 0.85 -0.22 -0.14 1.14 -0.68 0.00 0.00 175.30 176.24 3mr4 s GLN 235 N -3.91 0.84 -0.05 3.54 -2.07 0.19 -2.83 119.66 115.37 3mr4 s GLN 235 Ca 0.09 -0.94 0.05 0.00 -1.82 0.00 0.00 55.36 52.73 3mr4 s GLN 235 Cb 0.06 -0.86 -0.00 0.00 -1.09 0.00 0.00 33.01 31.12 3mr4 s GLN 235 CO -0.08 0.19 -0.19 0.99 -1.32 0.00 0.00 175.29 174.88 3mr4 s THR 236 N -1.23 1.58 -0.23 3.63 2.01 -0.70 -0.50 115.64 120.20 3mr4 s THR 236 Ca -0.01 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.11 3mr4 s THR 236 Cb -0.10 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 3mr4 s THR 236 CO 0.02 0.45 0.08 -0.22 -0.69 0.00 0.00 174.62 174.27 3mr4 s LEU 237 N 0.04 3.66 -0.28 4.42 0.20 0.03 -1.17 118.68 125.58 3mr4 s LEU 237 Ca -0.05 -0.07 -0.00 0.00 0.69 0.00 0.00 54.13 54.70 3mr4 s LEU 237 Cb -0.12 -1.97 0.05 0.00 -0.43 0.00 0.00 46.19 43.72 3mr4 s LEU 237 CO 0.03 0.04 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.40 3mr4 s VAL 238 N 1.15 2.74 0.52 1.68 1.01 -0.41 -1.52 120.40 125.57 3mr4 s VAL 238 Ca 0.05 -1.39 -0.05 0.00 0.00 0.00 0.00 61.98 60.59 3mr4 s VAL 238 Cb -0.14 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3mr4 s VAL 238 CO 0.04 -0.03 0.82 -0.94 0.00 0.00 0.00 175.10 174.98 3mr4 s SER 239 N 1.22 5.98 0.37 3.32 1.04 -1.26 -4.44 113.70 119.93 3mr4 s SER 239 Ca -0.05 0.79 0.04 0.00 0.48 0.00 0.00 55.95 57.21 3mr4 s SER 239 Cb -0.19 -1.98 0.72 0.00 0.10 0.00 0.00 66.02 64.67 3mr4 s SER 239 CO -0.03 -0.77 2.01 -0.74 0.98 0.00 0.00 173.24 174.70 3mr4 h HIS 240 N 0.10 0.65 0.00 5.02 2.76 -1.97 -1.86 115.15 119.85 3mr4 h HIS 240 Ca -0.46 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 57.66 3mr4 h HIS 240 Cb 1.23 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 3mr4 h HIS 240 CO 0.53 0.44 -0.25 0.78 -1.30 0.00 0.00 177.93 178.13 3mr4 h GLY 241 N 0.73 0.00 1.74 5.26 0.00 -1.99 -2.81 103.07 105.99 3mr4 h GLY 241 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3mr4 h GLY 241 CO -0.03 0.00 -0.15 -1.14 0.00 0.00 0.00 176.54 175.22 3mr4 n SER 242 N -3.85 0.27 -0.07 0.19 3.41 -0.70 -4.33 113.62 108.54 3mr4 n SER 242 Ca -0.02 0.33 -0.09 0.00 -0.26 0.00 0.00 58.87 58.83 3mr4 n SER 242 Cb 0.34 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3mr4 n SER 242 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3mr4 h VAL 243 N 0.00 1.05 -0.53 -3.33 2.07 -1.45 -0.25 116.25 113.80 3mr4 h VAL 243 Ca 0.00 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.49 3mr4 h VAL 243 Cb 0.55 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 3mr4 h VAL 243 CO 0.00 0.06 0.16 -0.65 0.02 0.00 0.00 177.57 177.16 3mr4 h PRO 244 N 0.33 0.30 -0.20 1.57 0.11 -1.79 0.15 132.00 132.48 3mr4 h PRO 244 Ca 0.10 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 3mr4 h PRO 244 Cb -0.02 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3mr4 h PRO 244 CO -0.03 0.20 -0.03 1.96 -0.21 0.00 0.00 178.00 179.89 3mr4 h GLN 245 N 0.31 0.37 -0.93 1.05 1.08 -1.80 -1.43 115.11 113.75 3mr4 h GLN 245 Ca 0.27 -0.13 0.05 0.00 -1.45 0.00 0.00 58.65 57.39 3mr4 h GLN 245 Cb 0.33 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 3mr4 h GLN 245 CO -0.30 0.60 0.61 1.25 -0.95 0.00 0.00 178.83 180.03 3mr4 h LEU 246 N 0.10 0.97 0.00 1.46 5.85 -0.57 -2.69 115.31 120.44 3mr4 h LEU 246 Ca 0.05 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3mr4 h LEU 246 Cb 0.45 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3mr4 h LEU 246 CO 0.02 0.64 -0.22 -0.26 -0.34 0.00 0.00 178.44 178.27 3mr4 h PHE 247 N 1.11 0.00 -0.94 1.25 0.05 -0.63 -3.28 116.94 114.50 3mr4 h PHE 247 Ca 0.39 0.00 0.14 0.00 3.82 0.00 0.00 57.97 62.32 3mr4 h PHE 247 Cb 0.12 0.00 -0.08 0.00 2.00 0.00 0.00 35.95 37.99 3mr4 h PHE 247 CO -0.00 0.00 0.60 0.66 -0.18 0.00 0.00 178.31 179.39 3mr4 h SER 248 N 0.00 0.75 0.00 2.17 4.64 -0.90 -1.06 113.55 119.15 3mr4 h SER 248 Ca 0.00 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3mr4 h SER 248 Cb 0.96 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.90 3mr4 h SER 248 CO 0.00 0.37 -0.45 0.00 -0.87 0.00 0.00 176.83 175.88 3mr4 n GLN 249 N -4.60 1.20 -3.26 4.77 6.02 -1.26 -4.64 117.38 115.62 3mr4 n GLN 249 Ca 0.19 -2.82 -0.41 0.00 -0.01 0.00 0.00 57.00 53.95 3mr4 n GLN 249 Cb 0.45 -1.31 -0.08 0.00 1.02 0.00 0.00 30.24 30.33 3mr4 n GLN 249 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3mr4 s MET 250 N -2.52 3.80 0.32 -1.09 1.75 -1.03 -5.01 119.30 115.52 3mr4 s MET 250 Ca 0.34 0.01 -0.29 0.00 -1.25 0.00 0.00 55.69 54.49 3mr4 s MET 250 Cb 0.33 -3.74 -0.12 0.00 2.84 0.00 0.00 34.83 34.13 3mr4 s MET 250 CO -0.05 -0.51 1.42 -2.30 -0.65 0.00 0.00 175.02 172.93 3mr4 n PRO 251 N 5.63 2.35 -0.36 4.11 -0.02 -1.26 -1.89 135.00 143.56 3mr4 n PRO 251 Ca -0.05 0.83 0.05 0.00 -2.02 0.00 0.00 63.50 62.31 3mr4 n PRO 251 Cb 0.49 -2.50 0.21 0.00 -0.02 0.00 0.00 33.50 31.69 3mr4 n PRO 251 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3mr4 h ILE 252 N 2.90 0.97 0.00 4.25 2.04 -1.70 -2.00 117.51 123.96 3mr4 h ILE 252 Ca -0.47 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3mr4 h ILE 252 Cb 1.26 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3mr4 h ILE 252 CO 0.69 0.19 0.00 0.54 0.00 0.00 0.00 178.15 179.57 3mr4 n ARG 253 N -4.59 0.35 0.00 2.37 1.74 -1.26 -1.99 116.66 113.28 3mr4 n ARG 253 Ca 0.17 0.08 0.13 0.00 -0.77 0.00 0.00 57.85 57.46 3mr4 n ARG 253 Cb 0.30 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.56 3mr4 n ARG 253 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mr4 n LYS 254 N -1.16 0.40 -3.18 5.56 5.02 -0.75 -3.90 118.16 120.14 3mr4 n LYS 254 Ca 0.10 -0.23 -0.39 0.00 -2.02 0.00 0.00 58.31 55.77 3mr4 n LYS 254 Cb 0.10 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 3mr4 n LYS 254 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mr4 s ILE 255 N -2.76 4.62 0.15 -0.18 1.09 -0.84 -4.93 121.20 118.36 3mr4 s ILE 255 Ca 0.18 1.36 -0.34 0.00 -1.10 0.00 0.00 60.65 60.75 3mr4 s ILE 255 Cb 0.18 -3.97 -0.15 0.00 -1.06 0.00 0.00 42.46 37.46 3mr4 s ILE 255 CO 0.61 0.54 1.44 -1.14 -0.10 0.00 0.00 174.94 176.29 3mr4 n ARG 256 N 1.67 1.72 -0.82 2.79 3.00 -1.26 -1.30 116.66 122.46 3mr4 n ARG 256 Ca -0.09 0.62 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 3mr4 n ARG 256 Cb 0.50 -2.31 0.00 0.00 0.00 0.00 0.00 32.46 30.66 3mr4 n ARG 256 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3mr4 n SER 257 N 2.82 0.00 -0.47 6.15 3.41 -1.26 -4.84 113.62 119.43 3mr4 n SER 257 Ca 0.16 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.84 3mr4 n SER 257 Cb 0.26 -0.15 0.15 0.00 -0.26 0.00 0.00 64.21 64.20 3mr4 n SER 257 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mr4 n LEU 258 N 0.00 2.92 0.02 1.04 4.77 -0.42 -4.58 117.00 120.75 3mr4 n LEU 258 Ca 0.00 -2.55 0.14 0.00 -0.03 0.00 0.00 56.01 53.57 3mr4 n LEU 258 Cb 0.00 -0.33 0.57 0.00 -2.33 0.00 0.00 43.42 41.33 3mr4 n LEU 258 CO 0.00 0.66 0.94 0.61 -1.33 0.00 0.00 177.39 178.27 3mr4 n GLY 259 N -0.42 -1.54 0.00 -0.72 0.00 -1.24 -3.64 105.19 97.62 3mr4 n GLY 259 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3mr4 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mr4 n GLY 260 N 1.46 1.68 0.24 -0.02 0.00 -1.26 -4.90 105.19 102.39 3mr4 n GLY 260 Ca 0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 3mr4 n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mr4 h LYS 261 N 0.00 0.82 -0.25 1.61 1.57 -1.93 -1.55 116.57 116.84 3mr4 h LYS 261 Ca 0.00 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3mr4 h LYS 261 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3mr4 h LYS 261 CO 0.00 0.93 0.15 1.25 -0.57 0.00 0.00 179.45 181.21 3mr4 h LEU 262 N 0.65 0.29 -0.52 2.94 5.85 -1.89 0.30 115.31 122.93 3mr4 h LEU 262 Ca 0.11 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3mr4 h LEU 262 Cb 0.61 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3mr4 h LEU 262 CO 0.04 0.25 0.32 1.23 -0.34 0.00 0.00 178.44 179.94 3mr4 h GLY 263 N 0.31 0.75 1.06 3.75 0.00 -1.61 -0.87 103.07 106.46 3mr4 h GLY 263 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3mr4 h GLY 263 CO -0.02 0.30 0.58 0.00 0.00 0.00 0.00 176.54 177.40 3mr4 h ALA 264 N 1.16 1.26 -0.77 3.60 0.00 -0.94 -1.76 119.26 121.82 3mr4 h ALA 264 Ca 0.19 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3mr4 h ALA 264 Cb -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3mr4 h ALA 264 CO -0.04 0.64 0.28 1.03 0.00 0.00 0.00 179.25 181.17 3mr4 h SER 265 N 1.28 1.08 -0.36 0.00 0.87 0.11 -1.59 113.55 114.94 3mr4 h SER 265 Ca 0.34 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3mr4 h SER 265 Cb -0.08 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.58 3mr4 h SER 265 CO -0.07 0.98 0.17 0.58 -0.53 0.00 0.00 176.83 177.97 3mr4 h VAL 266 N 1.13 1.17 -0.15 2.23 2.07 -0.40 0.15 116.25 122.44 3mr4 h VAL 266 Ca 0.25 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3mr4 h VAL 266 Cb 0.26 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3mr4 h VAL 266 CO -0.02 0.18 0.06 0.40 0.02 0.00 0.00 177.57 178.21 3mr4 h ILE 267 N 0.44 0.97 -0.29 4.57 2.04 -1.14 -2.02 117.51 122.08 3mr4 h ILE 267 Ca 0.12 -0.05 -0.18 0.00 1.00 0.00 0.00 64.86 65.76 3mr4 h ILE 267 Cb 0.12 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3mr4 h ILE 267 CO -0.02 0.02 -0.52 -0.08 0.00 0.00 0.00 178.15 177.56 3mr4 h GLU 268 N 0.13 0.83 0.04 2.37 4.81 -1.13 -0.24 114.58 121.40 3mr4 h GLU 268 Ca 0.06 -0.51 -0.23 0.00 -0.13 0.00 0.00 59.36 58.56 3mr4 h GLU 268 Cb 0.03 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3mr4 h GLU 268 CO -0.06 1.14 -1.00 0.82 -0.73 0.00 0.00 179.01 179.17 3mr4 h ILE 269 N 0.65 1.51 0.00 2.32 2.04 -0.70 -3.32 117.51 120.00 3mr4 h ILE 269 Ca 0.02 -2.81 0.00 0.00 1.00 0.00 0.00 64.86 63.08 3mr4 h ILE 269 Cb 1.11 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.83 3mr4 h ILE 269 CO 0.11 0.82 -0.91 0.18 0.00 0.00 0.00 178.15 178.35 3mr4 n LEU 270 N -3.60 0.82 -2.91 1.44 4.77 -0.76 -5.00 117.00 111.76 3mr4 n LEU 270 Ca -0.05 -0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 55.46 3mr4 n LEU 270 Cb 0.89 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.98 3mr4 n LEU 270 CO 0.50 0.20 0.09 0.61 -1.33 0.00 0.00 177.39 177.46 3mr4 n GLY 271 N 1.48 -0.19 3.15 -0.72 0.00 -0.13 -5.04 105.19 103.76 3mr4 n GLY 271 Ca 0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 3mr4 n GLY 271 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mr4 s ILE 272 N -3.28 0.54 -0.01 -0.61 -4.36 -1.05 -5.05 121.20 107.37 3mr4 s ILE 272 Ca 0.02 -1.91 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 3mr4 s ILE 272 Cb -0.01 -1.70 -0.02 0.00 1.25 0.00 0.00 42.46 41.99 3mr4 s ILE 272 CO 0.57 -0.85 0.01 -0.62 0.24 0.00 0.00 174.94 174.29 3mr4 n GLU 273 N -0.02 3.32 -4.51 0.37 -0.58 -1.26 -4.45 120.64 113.51 3mr4 n GLU 273 Ca -0.12 -0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.30 3mr4 n GLU 273 Cb 0.61 -1.04 -0.11 0.00 -0.57 0.00 0.00 31.44 30.34 3mr4 n GLU 273 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3mr4 s TYR 274 N -2.04 2.80 0.25 -0.32 1.51 -1.26 -1.87 117.35 116.42 3mr4 s TYR 274 Ca -0.01 -0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 55.92 3mr4 s TYR 274 Cb 0.00 -1.57 0.48 0.00 -0.11 0.00 0.00 41.96 40.76 3mr4 s TYR 274 CO 0.06 0.34 1.73 1.98 -1.11 0.00 0.00 175.55 178.55 3mr4 h MET 275 N 4.53 0.46 -0.21 -0.62 1.85 -1.45 -0.40 114.93 119.09 3mr4 h MET 275 Ca -0.48 -0.03 0.06 0.00 -0.61 0.00 0.00 59.70 58.64 3mr4 h MET 275 Cb 1.16 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 33.08 3mr4 h MET 275 CO 0.52 0.30 0.18 0.78 -0.40 0.00 0.00 176.91 178.30 3mr4 h GLY 276 N 0.47 0.00 2.00 1.39 0.00 -1.46 -1.41 103.07 104.07 3mr4 h GLY 276 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 3mr4 h GLY 276 CO -0.40 0.00 -0.05 0.83 0.00 0.00 0.00 176.54 176.92 3mr4 h GLU 277 N 0.00 0.00 0.00 4.80 5.08 -1.34 -2.88 114.58 120.25 3mr4 h GLU 277 Ca 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3mr4 h GLU 277 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3mr4 h GLU 277 CO -0.00 0.05 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.87 3mr4 h LEU 278 N 0.00 0.00 -1.95 1.33 3.38 -1.34 -3.16 115.31 113.57 3mr4 h LEU 278 Ca -0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 3mr4 h LEU 278 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3mr4 h LEU 278 CO 0.01 0.12 0.36 0.74 0.09 0.00 0.00 178.44 179.75 3mr4 h THR 279 N 0.00 0.77 0.00 0.22 2.02 -1.67 -2.54 112.91 111.71 3mr4 h THR 279 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3mr4 h THR 279 Cb 0.34 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3mr4 h THR 279 CO 0.02 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.92 3mr4 n GLN 280 N -4.41 0.13 -3.52 6.66 10.64 -1.19 -4.83 117.38 120.86 3mr4 n GLN 280 Ca 0.09 0.30 -0.32 0.00 -1.83 0.00 0.00 57.00 55.24 3mr4 n GLN 280 Cb 0.54 -1.72 -0.05 0.00 -0.86 0.00 0.00 30.24 28.15 3mr4 n GLN 280 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3mr4 s PHE 281 N -3.16 3.45 0.57 2.61 0.08 -0.96 -5.08 117.98 115.48 3mr4 s PHE 281 Ca 0.07 0.73 -0.14 0.00 0.12 0.00 0.00 56.93 57.72 3mr4 s PHE 281 Cb 0.11 -2.15 -0.06 0.00 -0.57 0.00 0.00 43.02 40.35 3mr4 s PHE 281 CO 0.40 0.34 1.01 0.95 -0.10 0.00 0.00 175.22 177.82 3mr4 s THR 282 N -1.76 4.59 0.31 0.64 -4.23 -1.26 -4.92 115.64 109.01 3mr4 s THR 282 Ca 0.45 1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 61.97 3mr4 s THR 282 Cb -0.12 -3.78 0.25 0.00 1.34 0.00 0.00 72.50 70.20 3mr4 s THR 282 CO 0.23 -0.92 1.96 -0.08 -0.54 0.00 0.00 174.62 175.27 3mr4 h GLU 283 N 0.25 1.02 -0.46 3.99 4.81 -1.98 -1.71 114.58 120.50 3mr4 h GLU 283 Ca -0.45 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3mr4 h GLU 283 Cb 1.19 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 3mr4 h GLU 283 CO 0.62 0.70 0.28 1.03 -0.73 0.00 0.00 179.01 180.90 3mr4 h SER 284 N 1.04 0.56 -0.48 1.04 0.87 -1.95 0.17 113.55 114.80 3mr4 h SER 284 Ca 0.28 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3mr4 h SER 284 Cb -0.08 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 3mr4 h SER 284 CO -0.06 0.45 0.32 1.56 -0.53 0.00 0.00 176.83 178.57 3mr4 h GLN 285 N 0.62 0.63 -0.51 2.24 4.20 -1.74 0.78 115.11 121.33 3mr4 h GLN 285 Ca 0.17 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3mr4 h GLN 285 Cb -0.00 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3mr4 h GLN 285 CO -0.03 0.41 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.42 3mr4 h LEU 286 N 0.65 0.88 -0.49 1.46 3.38 -1.00 -2.73 115.31 117.46 3mr4 h LEU 286 Ca 0.18 -0.25 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 3mr4 h LEU 286 Cb -0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3mr4 h LEU 286 CO -0.04 0.97 -0.55 1.56 0.09 0.00 0.00 178.44 180.48 3mr4 h GLN 287 N 0.82 0.60 0.00 1.13 4.20 -0.32 0.10 115.11 121.65 3mr4 h GLN 287 Ca 0.14 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3mr4 h GLN 287 Cb 0.56 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3mr4 h GLN 287 CO 0.03 0.99 0.00 0.66 -0.67 0.00 0.00 178.83 179.85 3mr4 h SER 288 N 0.46 0.00 0.00 1.46 4.64 -0.72 0.60 113.55 119.99 3mr4 h SER 288 Ca 0.01 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 3mr4 h SER 288 Cb 1.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 3mr4 h SER 288 CO 0.11 0.00 -1.91 1.41 -0.87 0.00 0.00 176.83 175.57 3mr4 n HIS 289 N -2.97 0.00 -0.08 4.77 8.25 -1.04 -4.69 115.22 119.47 3mr4 n HIS 289 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3mr4 n HIS 289 Cb 0.28 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.81 3mr4 n HIS 289 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3mr4 n PHE 290 N -2.34 0.00 0.00 4.41 3.72 0.33 -5.09 117.46 118.50 3mr4 n PHE 290 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3mr4 n PHE 290 Cb 0.74 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 3mr4 n PHE 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mr4 n GLY 291 N 0.29 2.46 0.27 1.37 0.00 0.20 -4.32 105.19 105.45 3mr4 n GLY 291 Ca 0.00 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 3mr4 n GLY 291 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mr4 h GLU 292 N 0.00 -0.37 -0.05 1.61 4.81 -1.91 0.31 114.58 118.98 3mr4 h GLU 292 Ca 0.00 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3mr4 h GLU 292 Cb 0.00 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 3mr4 h GLU 292 CO 0.00 -0.25 -0.00 -0.22 -0.73 0.00 0.00 179.01 177.81 3mr4 h LYS 293 N -0.39 0.09 -0.17 1.92 3.64 -1.94 -2.49 116.57 117.23 3mr4 h LYS 293 Ca 0.05 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 3mr4 h LYS 293 Cb 0.45 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3mr4 h LYS 293 CO -0.19 0.40 -0.41 -0.91 -2.27 0.00 0.00 179.45 176.07 3mr4 h ASN 294 N -0.23 0.42 -0.48 4.20 -0.26 -1.74 -2.16 115.58 115.34 3mr4 h ASN 294 Ca 0.01 -0.18 -0.01 0.00 -0.56 0.00 0.00 56.30 55.56 3mr4 h ASN 294 Cb 0.36 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 3mr4 h ASN 294 CO 0.00 0.79 0.25 1.23 -1.06 0.00 0.00 177.43 178.65 3mr4 h GLY 295 N 1.15 0.72 1.17 2.83 0.00 -0.38 -0.76 103.07 107.79 3mr4 h GLY 295 Ca 0.03 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 3mr4 h GLY 295 CO 0.07 0.32 -0.11 1.76 0.00 0.00 0.00 176.54 178.58 3mr4 h SER 296 N 0.63 0.98 -0.41 0.19 0.02 -1.34 -1.25 113.55 112.37 3mr4 h SER 296 Ca 0.17 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 3mr4 h SER 296 Cb 0.07 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 3mr4 h SER 296 CO -0.03 1.09 0.21 -0.25 -1.14 0.00 0.00 176.83 176.72 3mr4 h TRP 297 N 0.87 0.58 -0.58 3.45 7.01 -1.13 -1.88 115.95 124.27 3mr4 h TRP 297 Ca 0.14 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 3mr4 h TRP 297 Cb 0.66 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.52 3mr4 h TRP 297 CO 0.04 0.46 0.21 -0.07 -2.79 0.00 0.00 178.44 176.30 3mr4 h LEU 298 N 0.53 0.82 -0.70 0.65 3.38 -1.00 0.17 115.31 119.16 3mr4 h LEU 298 Ca 0.14 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3mr4 h LEU 298 Cb 0.09 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3mr4 h LEU 298 CO -0.02 0.78 0.43 0.22 0.09 0.00 0.00 178.44 179.94 3mr4 h TYR 299 N 0.81 0.79 0.18 1.13 3.20 -0.96 -2.26 116.97 119.86 3mr4 h TYR 299 Ca 0.19 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.78 3mr4 h TYR 299 Cb 0.23 -0.26 0.02 0.00 1.54 0.00 0.00 36.73 38.27 3mr4 h TYR 299 CO 0.01 0.43 -1.33 0.00 -1.64 0.00 0.00 178.16 175.63 3mr4 h ALA 300 N 1.32 -0.01 -0.67 1.82 0.00 -1.17 -3.36 119.26 117.19 3mr4 h ALA 300 Ca 0.29 -0.87 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 3mr4 h ALA 300 Cb 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3mr4 h ALA 300 CO -0.13 0.84 0.21 1.98 0.00 0.00 0.00 179.25 182.15 3mr4 h MET 301 N 0.12 1.03 0.00 0.00 1.85 -0.41 -0.55 114.93 116.96 3mr4 h MET 301 Ca -0.18 -0.21 0.00 0.00 -0.61 0.00 0.00 59.70 58.70 3mr4 h MET 301 Cb 2.04 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 33.92 3mr4 h MET 301 CO 0.23 0.88 0.00 0.00 -0.40 0.00 0.00 176.91 177.62 3mr4 n ARG 303 N -1.39 2.94 -0.88 0.00 1.74 -0.69 -4.83 116.66 113.55 3mr4 n ARG 303 Ca 0.05 -2.37 0.00 0.00 -0.77 0.00 0.00 57.85 54.76 3mr4 n ARG 303 Cb 0.14 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3mr4 n ARG 303 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mr4 n GLY 304 N 0.79 0.54 3.46 -0.13 0.00 -0.07 -5.00 105.19 104.78 3mr4 n GLY 304 Ca 0.17 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3mr4 n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mr4 s ILE 305 N -2.00 3.87 -0.13 -0.61 1.01 -0.30 -4.90 121.20 118.14 3mr4 s ILE 305 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 3mr4 s ILE 305 Cb 0.00 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.79 3mr4 s ILE 305 CO 0.00 0.46 0.45 -0.70 0.00 0.00 0.00 174.94 175.14 3mr4 s GLU 306 N 0.73 0.59 -0.00 2.79 -6.30 -1.26 -2.62 118.70 112.63 3mr4 s GLU 306 Ca -0.01 0.46 0.03 0.00 -2.50 0.00 0.00 54.97 52.95 3mr4 s GLU 306 Cb -0.14 0.28 0.07 0.00 0.00 0.00 0.00 34.13 34.34 3mr4 s GLU 306 CO 0.02 -0.10 1.06 0.72 0.02 0.00 0.00 175.26 176.97 3mr4 n HIS 307 N 2.42 0.10 -1.65 5.30 8.25 -1.26 -4.80 115.22 123.58 3mr4 n HIS 307 Ca -0.15 -0.51 -0.42 0.00 -0.26 0.00 0.00 57.72 56.38 3mr4 n HIS 307 Cb 0.57 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 3mr4 n HIS 307 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3mr4 s ASP 308 N -1.04 6.25 0.52 0.41 3.68 -1.26 -4.92 116.67 120.31 3mr4 s ASP 308 Ca 0.05 2.53 -0.19 0.00 2.13 0.00 0.00 52.55 57.08 3mr4 s ASP 308 Cb 0.03 -2.53 -0.07 0.00 -1.45 0.00 0.00 42.92 38.91 3mr4 s ASP 308 CO 0.03 -1.24 1.06 -2.16 0.13 0.00 0.00 175.17 172.99 3mr4 s PRO 309 N 4.85 3.60 -0.12 4.34 0.04 -1.26 -4.64 135.00 141.82 3mr4 s PRO 309 Ca 0.91 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 3mr4 s PRO 309 Cb -0.41 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 3mr4 s PRO 309 CO 0.41 -0.60 1.24 0.08 0.04 0.00 0.00 177.00 178.17 3mr4 s VAL 310 N -2.06 4.26 -0.26 -0.36 1.01 -1.26 -5.00 120.40 116.73 3mr4 s VAL 310 Ca 0.67 1.55 -0.06 0.00 0.00 0.00 0.00 61.98 64.15 3mr4 s VAL 310 Cb -0.17 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 3mr4 s VAL 310 CO 0.25 -0.08 0.03 -0.54 0.00 0.00 0.00 175.10 174.77 3mr4 s LYS 311 N 2.93 3.24 -0.08 2.72 1.02 -1.26 -5.00 119.74 123.30 3mr4 s LYS 311 Ca 0.55 -0.74 -0.34 0.00 0.02 0.00 0.00 55.97 55.46 3mr4 s LYS 311 Cb -0.23 -3.23 -0.12 0.00 -0.52 0.00 0.00 37.83 33.73 3mr4 s LYS 311 CO 0.18 -0.33 1.88 -0.35 -0.92 0.00 0.00 175.35 175.80 3mr4 n PRO 312 N 4.84 2.18 -3.65 -1.68 -0.04 -1.26 -4.29 135.00 131.09 3mr4 n PRO 312 Ca -0.16 0.80 -0.05 0.00 -0.04 0.00 0.00 63.50 64.05 3mr4 n PRO 312 Cb 0.49 -2.64 -0.07 0.00 -0.04 0.00 0.00 33.50 31.24 3mr4 n PRO 312 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3mr4 s ARG 313 N 4.00 0.55 0.00 0.54 3.52 -0.98 -4.98 118.95 121.60 3mr4 s ARG 313 Ca 0.92 1.22 0.00 0.00 -0.13 0.00 0.00 55.73 57.75 3mr4 s ARG 313 Cb -0.69 0.43 0.00 0.00 -1.56 0.00 0.00 34.95 33.13 3mr4 s ARG 313 CO 0.51 -0.19 0.00 0.94 -0.81 0.00 0.00 175.30 175.76 3mr4 n GLN 314 N 4.93 1.33 -3.84 5.12 7.27 -1.26 -0.86 117.38 130.06 3mr4 n GLN 314 Ca -0.15 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.56 3mr4 n GLN 314 Cb 0.53 -0.93 -0.07 0.00 2.41 0.00 0.00 30.24 32.18 3mr4 n GLN 314 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3mr4 s LEU 315 N -2.80 4.27 0.43 1.69 1.43 -1.26 -4.93 118.68 117.50 3mr4 s LEU 315 Ca 0.00 0.35 -0.26 0.00 -1.03 0.00 0.00 54.13 53.19 3mr4 s LEU 315 Cb 0.00 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 3mr4 s LEU 315 CO 0.00 0.31 1.40 -0.81 0.23 0.00 0.00 176.35 177.48 3mr4 n PRO 316 N 2.65 2.23 0.06 1.29 -0.04 -1.26 -4.92 135.00 135.01 3mr4 n PRO 316 Ca -0.18 0.79 -0.05 0.00 -0.04 0.00 0.00 63.50 64.02 3mr4 n PRO 316 Cb 0.54 -2.57 -0.09 0.00 -0.04 0.00 0.00 33.50 31.33 3mr4 n PRO 316 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3mr4 h LYS 317 N 2.34 0.00 -4.19 0.54 1.57 -1.98 -3.46 116.57 111.38 3mr4 h LYS 317 Ca -0.50 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.09 3mr4 h LYS 317 Cb 1.27 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.38 3mr4 h LYS 317 CO 0.61 0.77 -0.71 0.95 -0.57 0.00 0.00 179.45 180.51 3mr4 s THR 318 N -2.75 0.26 -0.11 -0.16 -4.23 -1.26 -4.27 115.64 103.11 3mr4 s THR 318 Ca 0.00 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 3mr4 s THR 318 Cb 0.09 -0.59 0.02 0.00 1.34 0.00 0.00 72.50 73.36 3mr4 s THR 318 CO 0.81 -0.56 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.56 3mr4 s ILE 319 N -1.89 1.43 0.29 2.99 1.01 0.27 -4.97 121.20 120.34 3mr4 s ILE 319 Ca -0.10 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 3mr4 s ILE 319 Cb -0.07 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.10 3mr4 s ILE 319 CO -0.02 0.43 0.65 -0.83 0.00 0.00 0.00 174.94 175.17 3mr4 s GLY 320 N 1.08 0.27 0.12 6.18 0.00 -1.26 0.20 107.32 113.90 3mr4 s GLY 320 Ca -0.05 -0.62 -0.21 0.00 0.00 0.00 0.00 44.72 43.84 3mr4 s GLY 320 CO -0.03 -0.34 0.52 0.00 0.00 0.00 0.00 173.10 173.25 3mr4 s SER 322 N -2.58 0.05 -0.15 0.00 1.04 -1.26 -0.84 113.70 109.96 3mr4 s SER 322 Ca 0.00 -0.99 -0.26 0.00 0.48 0.00 0.00 55.95 55.19 3mr4 s SER 322 Cb 0.00 0.69 0.06 0.00 0.10 0.00 0.00 66.02 66.87 3mr4 s SER 322 CO -0.10 -1.32 0.65 -0.75 0.98 0.00 0.00 173.24 172.69 3mr4 s LYS 323 N -3.50 0.89 -0.01 4.02 2.20 -0.52 -4.98 119.74 117.84 3mr4 s LYS 323 Ca 0.20 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 3mr4 s LYS 323 Cb -0.03 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 3mr4 s LYS 323 CO 0.11 -0.20 0.05 -0.80 -0.36 0.00 0.00 175.35 174.15 3mr4 s ASN 324 N -0.40 5.49 -0.30 1.43 0.01 -1.26 -1.49 114.94 118.41 3mr4 s ASN 324 Ca -0.06 0.10 -0.01 0.00 -0.71 0.00 0.00 52.86 52.18 3mr4 s ASN 324 Cb -0.03 -1.53 0.10 0.00 0.41 0.00 0.00 41.25 40.20 3mr4 s ASN 324 CO 0.05 0.28 0.10 -0.36 -1.51 0.00 0.00 177.10 175.66 3mr4 s PHE 325 N -1.15 1.45 0.24 2.20 0.08 0.24 -4.93 117.98 116.11 3mr4 s PHE 325 Ca 0.21 -1.54 -0.06 0.00 0.12 0.00 0.00 56.93 55.66 3mr4 s PHE 325 Cb -0.12 -1.54 -0.06 0.00 -0.57 0.00 0.00 43.02 40.73 3mr4 s PHE 325 CO 0.12 -0.85 0.50 -1.25 -0.10 0.00 0.00 175.22 173.64 3mr4 s PRO 326 N 1.71 3.66 4.09 0.24 0.04 -1.26 -3.47 135.00 140.01 3mr4 s PRO 326 Ca 0.09 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.14 3mr4 s PRO 326 Cb -0.17 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.66 3mr4 s PRO 326 CO -0.26 0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.50 3mr4 n GLY 327 N -0.53 1.92 0.21 0.56 0.00 -1.26 -1.55 105.19 104.55 3mr4 n GLY 327 Ca -0.02 0.43 -0.07 0.00 0.00 0.00 0.00 46.02 46.36 3mr4 n GLY 327 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mr4 h LYS 328 N 0.00 0.66 0.00 1.61 3.64 -2.04 -3.05 116.57 117.39 3mr4 h LYS 328 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3mr4 h LYS 328 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3mr4 h LYS 328 CO 0.00 0.43 0.00 0.25 -2.27 0.00 0.00 179.45 177.86 3mr4 n THR 329 N -4.74 1.23 -1.56 1.00 -2.24 -0.59 -4.86 114.28 102.52 3mr4 n THR 329 Ca 0.03 0.55 -0.48 0.00 -2.27 0.00 0.00 64.05 61.88 3mr4 n THR 329 Cb 0.03 -1.52 -0.03 0.00 -2.10 0.00 0.00 70.33 66.70 3mr4 n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mr4 n ALA 330 N -1.69 -0.92 -2.44 6.98 0.00 -1.16 -4.72 120.51 116.57 3mr4 n ALA 330 Ca -0.00 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.45 3mr4 n ALA 330 Cb 0.07 -1.97 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 3mr4 n ALA 330 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mr4 s LEU 331 N 0.82 3.73 -0.26 0.00 1.43 -0.37 -4.77 118.68 119.26 3mr4 s LEU 331 Ca 0.69 0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.61 3mr4 s LEU 331 Cb -0.83 -3.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.73 3mr4 s LEU 331 CO 0.55 -1.23 -0.33 0.00 0.23 0.00 0.00 176.35 175.58 3mr4 n ALA 332 N 8.06 1.32 -1.86 4.21 0.00 -1.26 -1.85 120.51 129.13 3mr4 n ALA 332 Ca 0.15 -1.05 -0.31 0.00 0.00 0.00 0.00 53.44 52.23 3mr4 n ALA 332 Cb 0.48 0.13 0.02 0.00 0.00 0.00 0.00 19.45 20.08 3mr4 n ALA 332 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3mr4 s THR 333 N -2.48 4.35 0.25 0.00 -4.23 -1.26 -0.51 115.64 111.75 3mr4 s THR 333 Ca -0.36 0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 60.88 3mr4 s THR 333 Cb 0.13 -3.74 0.09 0.00 1.34 0.00 0.00 72.50 70.32 3mr4 s THR 333 CO 0.47 -1.00 1.72 -0.09 -0.54 0.00 0.00 174.62 175.18 3mr4 h ARG 334 N -0.43 0.78 -0.60 3.99 2.43 -1.96 -2.69 114.38 115.88 3mr4 h ARG 334 Ca -0.44 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 58.46 3mr4 h ARG 334 Cb 1.21 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 3mr4 h ARG 334 CO 0.62 0.84 0.28 0.93 -1.51 0.00 0.00 179.97 181.13 3mr4 h GLU 335 N 0.71 0.88 -0.07 0.20 3.07 -1.99 -1.87 114.58 115.51 3mr4 h GLU 335 Ca 0.13 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3mr4 h GLU 335 Cb 0.55 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3mr4 h GLU 335 CO 0.03 0.72 0.03 1.96 -1.40 0.00 0.00 179.01 180.35 3mr4 h GLN 336 N 0.83 0.10 -0.63 2.33 4.20 -1.91 -2.21 115.11 117.82 3mr4 h GLN 336 Ca 0.21 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.81 3mr4 h GLN 336 Cb 0.14 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3mr4 h GLN 336 CO -0.02 0.23 0.04 0.28 -0.67 0.00 0.00 178.83 178.69 3mr4 h VAL 337 N -0.06 1.26 -0.49 -0.54 2.07 -1.44 -2.50 116.25 114.56 3mr4 h VAL 337 Ca 0.02 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 3mr4 h VAL 337 Cb 0.17 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3mr4 h VAL 337 CO -0.00 0.41 0.08 -0.61 0.02 0.00 0.00 177.57 177.47 3mr4 h GLN 338 N 0.99 0.81 -0.32 1.57 5.75 -1.31 -1.14 115.11 121.45 3mr4 h GLN 338 Ca 0.18 -0.22 -0.06 0.00 -0.15 0.00 0.00 58.65 58.41 3mr4 h GLN 338 Cb 0.52 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 3mr4 h GLN 338 CO 0.02 0.81 -0.02 2.35 -2.65 0.00 0.00 178.83 179.34 3mr4 h TRP 339 N 0.68 0.64 -0.13 3.99 7.01 -1.26 -1.41 115.95 125.48 3mr4 h TRP 339 Ca 0.15 -0.12 -0.10 0.00 2.11 0.00 0.00 58.89 60.93 3mr4 h TRP 339 Cb 0.39 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 3mr4 h TRP 339 CO 0.03 0.72 -0.37 -1.49 -2.79 0.00 0.00 178.44 174.54 3mr4 h TRP 340 N 0.38 0.30 -0.70 2.65 4.06 -1.44 -0.39 115.95 120.81 3mr4 h TRP 340 Ca 0.09 -0.08 -0.07 0.00 2.06 0.00 0.00 58.89 60.89 3mr4 h TRP 340 Cb 0.48 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.54 3mr4 h TRP 340 CO 0.04 0.60 0.17 -0.07 -3.56 0.00 0.00 178.44 175.62 3mr4 h LEU 341 N 0.23 1.07 -0.55 -4.49 3.38 -1.04 -1.55 115.31 112.36 3mr4 h LEU 341 Ca 0.03 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3mr4 h LEU 341 Cb 0.76 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3mr4 h LEU 341 CO 0.06 1.03 0.16 0.25 0.09 0.00 0.00 178.44 180.03 3mr4 h LEU 342 N 1.06 0.81 -0.72 1.67 5.85 -0.68 0.89 115.31 124.19 3mr4 h LEU 342 Ca 0.22 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3mr4 h LEU 342 Cb 0.38 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3mr4 h LEU 342 CO 0.00 0.81 0.42 1.56 -0.34 0.00 0.00 178.44 180.89 3mr4 h GLN 343 N 0.77 0.99 -0.50 1.25 1.08 -0.77 0.26 115.11 118.19 3mr4 h GLN 343 Ca 0.18 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.21 3mr4 h GLN 343 Cb 0.29 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 3mr4 h GLN 343 CO -0.00 0.71 0.03 -0.07 -0.95 0.00 0.00 178.83 178.55 3mr4 h LEU 344 N 0.99 0.84 -1.22 1.46 3.38 -0.96 -2.05 115.31 117.75 3mr4 h LEU 344 Ca 0.26 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3mr4 h LEU 344 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3mr4 h LEU 344 CO -0.05 0.92 -0.20 0.00 0.09 0.00 0.00 178.44 179.20 3mr4 h ALA 345 N 0.95 1.35 -0.41 1.53 0.00 -0.43 -0.57 119.26 121.68 3mr4 h ALA 345 Ca 0.15 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3mr4 h ALA 345 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3mr4 h ALA 345 CO 0.02 0.44 -0.27 1.96 0.00 0.00 0.00 179.25 181.40 3mr4 h GLN 346 N 0.26 0.87 -0.47 0.00 4.20 -0.64 0.12 115.11 119.45 3mr4 h GLN 346 Ca 0.05 -0.39 -0.07 0.00 0.06 0.00 0.00 58.65 58.30 3mr4 h GLN 346 Cb 0.51 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3mr4 h GLN 346 CO 0.03 1.03 0.03 1.49 -0.67 0.00 0.00 178.83 180.75 3mr4 h GLU 347 N 0.74 0.81 -0.44 1.46 4.81 -0.91 -2.09 114.58 118.96 3mr4 h GLU 347 Ca 0.09 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 3mr4 h GLU 347 Cb 0.83 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 3mr4 h GLU 347 CO 0.07 0.85 0.29 1.25 -0.73 0.00 0.00 179.01 180.74 3mr4 h LEU 348 N 0.67 0.50 -0.76 1.64 5.85 -0.78 -1.59 115.31 120.83 3mr4 h LEU 348 Ca 0.14 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3mr4 h LEU 348 Cb 0.46 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3mr4 h LEU 348 CO 0.02 0.36 0.50 -0.08 -0.34 0.00 0.00 178.44 178.89 3mr4 h GLU 349 N 0.59 1.01 -0.54 1.25 4.81 -0.63 0.36 114.58 121.44 3mr4 h GLU 349 Ca 0.16 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3mr4 h GLU 349 Cb -0.06 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.07 3mr4 h GLU 349 CO -0.04 0.68 0.35 1.49 -0.73 0.00 0.00 179.01 180.76 3mr4 h GLU 350 N 1.04 0.71 -0.09 1.92 4.81 -0.94 -0.91 114.58 121.11 3mr4 h GLU 350 Ca 0.28 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.29 3mr4 h GLU 350 Cb -0.10 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.13 3mr4 h GLU 350 CO -0.06 0.48 -0.62 0.00 -0.73 0.00 0.00 179.01 178.08 3mr4 h ARG 351 N 0.73 0.59 -0.61 1.92 3.08 -0.81 -3.00 114.38 116.27 3mr4 h ARG 351 Ca 0.20 -0.51 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 3mr4 h ARG 351 Cb -0.07 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3mr4 h ARG 351 CO -0.04 1.13 0.35 -0.07 -1.07 0.00 0.00 179.97 180.26 3mr4 h LEU 352 N 0.21 0.74 -0.38 3.04 3.38 -0.22 -0.93 115.31 121.15 3mr4 h LEU 352 Ca -0.05 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3mr4 h LEU 352 Cb 1.27 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3mr4 h LEU 352 CO 0.13 0.58 0.07 0.74 0.09 0.00 0.00 178.44 180.05 3mr4 h THR 353 N 0.84 1.24 -0.59 0.22 2.02 -1.17 0.56 112.91 116.04 3mr4 h THR 353 Ca 0.22 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 3mr4 h THR 353 Cb 0.00 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3mr4 h THR 353 CO -0.04 0.28 0.20 0.50 0.37 0.00 0.00 175.52 176.84 3mr4 h LYS 354 N 0.48 0.91 -0.45 6.66 3.64 -1.33 -0.03 116.57 126.44 3mr4 h LYS 354 Ca 0.12 -0.19 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3mr4 h LYS 354 Cb 0.35 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3mr4 h LYS 354 CO 0.01 0.80 0.21 0.22 -2.27 0.00 0.00 179.45 178.42 3mr4 h ASP 355 N 0.83 0.29 -0.23 4.20 3.58 -0.87 0.99 116.42 125.22 3mr4 h ASP 355 Ca 0.19 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.56 3mr4 h ASP 355 Cb 0.26 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 3mr4 h ASP 355 CO -0.01 0.21 -0.26 -0.09 -2.88 0.00 0.00 179.24 176.21 3mr4 h ARG 356 N 0.42 0.71 0.08 0.28 2.43 -0.56 0.62 114.38 118.36 3mr4 h ARG 356 Ca 0.20 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3mr4 h ARG 356 Cb 0.13 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3mr4 h ARG 356 CO -0.16 0.90 -0.04 -0.91 -1.51 0.00 0.00 179.97 178.26 3mr4 h ASN 357 N 0.61 -0.09 0.94 -3.80 -0.26 -0.29 -1.61 115.58 111.09 3mr4 h ASN 357 Ca 0.08 -0.36 -0.14 0.00 -0.56 0.00 0.00 56.30 55.32 3mr4 h ASN 357 Cb 0.76 0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 38.03 3mr4 h ASN 357 CO 0.06 0.33 -0.66 0.44 -1.06 0.00 0.00 177.43 176.54 3mr4 h ASP 358 N -0.52 0.00 0.00 5.81 3.32 0.10 -3.39 116.42 121.75 3mr4 h ASP 358 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3mr4 h ASP 358 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3mr4 h ASP 358 CO 0.02 0.66 0.00 0.59 -1.72 0.00 0.00 179.24 178.78 3mr4 n ASN 359 N -3.50 1.02 -3.69 6.45 3.02 0.22 -5.05 115.26 113.73 3mr4 n ASN 359 Ca -0.00 -1.31 -0.28 0.00 -0.03 0.00 0.00 54.58 52.96 3mr4 n ASN 359 Cb 0.71 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.90 3mr4 n ASN 359 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3mr4 n ASP 360 N -0.15 -4.85 -4.20 6.41 -0.08 -0.60 -4.97 116.55 108.10 3mr4 n ASP 360 Ca 0.00 -0.63 -0.13 0.00 -1.51 0.00 0.00 54.79 52.52 3mr4 n ASP 360 Cb 0.18 -3.90 -0.10 0.00 2.34 0.00 0.00 41.12 39.64 3mr4 n ASP 360 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3mr4 s ARG 361 N -6.38 0.91 0.00 -0.67 1.70 -1.26 -5.05 118.95 108.20 3mr4 s ARG 361 Ca 0.57 -1.31 0.03 0.00 -0.47 0.00 0.00 55.73 54.55 3mr4 s ARG 361 Cb -0.28 -0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 33.63 3mr4 s ARG 361 CO 0.70 0.05 -0.10 0.14 -1.08 0.00 0.00 175.30 175.01 3mr4 s VAL 362 N -3.11 0.81 0.32 4.99 -7.23 -1.02 -4.23 120.40 110.93 3mr4 s VAL 362 Ca 0.11 -0.53 -0.27 0.00 -1.81 0.00 0.00 61.98 59.47 3mr4 s VAL 362 Cb 0.01 -0.70 -0.09 0.00 0.56 0.00 0.00 36.38 36.16 3mr4 s VAL 362 CO -0.01 0.16 1.04 0.00 -0.31 0.00 0.00 175.10 175.98 3mr4 s ALA 363 N -0.37 3.26 -0.42 1.32 0.00 -1.26 -1.18 121.76 123.11 3mr4 s ALA 363 Ca 0.03 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.78 3mr4 s ALA 363 Cb -0.05 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.81 3mr4 s ALA 363 CO -0.00 -0.09 0.50 0.25 0.00 0.00 0.00 175.76 176.42 3mr4 n THR 364 N 0.72 0.00 -3.94 0.00 -2.24 -1.00 -4.81 114.28 103.01 3mr4 n THR 364 Ca 0.01 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 3mr4 n THR 364 Cb 0.47 1.06 -0.12 0.00 -2.10 0.00 0.00 70.33 69.64 3mr4 n THR 364 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3mr4 s GLN 365 N -0.63 0.20 -0.13 -0.78 0.74 -0.83 -1.70 119.66 116.52 3mr4 s GLN 365 Ca 0.04 -0.35 0.02 0.00 0.05 0.00 0.00 55.36 55.12 3mr4 s GLN 365 Cb 0.03 0.03 0.01 0.00 1.10 0.00 0.00 33.01 34.18 3mr4 s GLN 365 CO 0.08 -0.02 -0.20 -1.17 -0.55 0.00 0.00 175.29 173.43 3mr4 s LEU 366 N -0.82 2.01 -0.14 3.68 2.96 0.32 -1.11 118.68 125.59 3mr4 s LEU 366 Ca -0.09 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.23 3mr4 s LEU 366 Cb -0.06 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 3mr4 s LEU 366 CO -0.01 0.06 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.38 3mr4 s VAL 367 N 0.87 4.07 -0.11 1.68 1.01 0.38 -0.30 120.40 128.01 3mr4 s VAL 367 Ca -0.07 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3mr4 s VAL 367 Cb -0.15 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3mr4 s VAL 367 CO -0.02 0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 174.72 3mr4 s VAL 368 N 0.01 2.57 0.03 2.92 1.01 0.35 -1.72 120.40 125.57 3mr4 s VAL 368 Ca 0.02 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.19 3mr4 s VAL 368 Cb -0.13 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3mr4 s VAL 368 CO 0.02 0.55 -0.11 -0.55 0.00 0.00 0.00 175.10 175.01 3mr4 s SER 369 N 0.25 1.24 0.15 3.32 0.15 -0.57 0.09 113.70 118.34 3mr4 s SER 369 Ca -0.13 -0.41 -0.06 0.00 0.70 0.00 0.00 55.95 56.06 3mr4 s SER 369 Cb -0.16 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.06 3mr4 s SER 369 CO 0.07 -0.02 0.19 0.27 1.20 0.00 0.00 173.24 174.95 3mr4 s ILE 370 N -0.83 0.08 -0.03 6.45 -4.36 -1.00 -0.59 121.20 120.91 3mr4 s ILE 370 Ca -0.01 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 58.77 3mr4 s ILE 370 Cb -0.07 -1.96 0.02 0.00 1.25 0.00 0.00 42.46 41.70 3mr4 s ILE 370 CO 0.01 -0.34 -0.03 -0.60 0.24 0.00 0.00 174.94 174.21 3mr4 s ARG 371 N -4.01 0.61 -0.07 0.37 3.52 -1.15 0.45 118.95 118.67 3mr4 s ARG 371 Ca 0.21 -0.07 -0.06 0.00 -0.13 0.00 0.00 55.73 55.68 3mr4 s ARG 371 Cb 0.05 -0.66 -0.04 0.00 -1.56 0.00 0.00 34.95 32.73 3mr4 s ARG 371 CO 0.01 -0.06 0.17 0.14 -0.81 0.00 0.00 175.30 174.75 3mr4 s VAL 372 N 0.77 5.46 0.16 7.11 -7.23 -1.26 -0.68 120.40 124.74 3mr4 s VAL 372 Ca -0.09 0.11 -0.33 0.00 -1.81 0.00 0.00 61.98 59.85 3mr4 s VAL 372 Cb -0.12 -3.46 -0.16 0.00 0.56 0.00 0.00 36.38 33.20 3mr4 s VAL 372 CO -0.00 0.51 1.25 1.67 -0.31 0.00 0.00 175.10 178.21 3mr4 n GLN 373 N 1.59 1.31 -0.24 4.82 7.27 0.24 -1.86 117.38 130.52 3mr4 n GLN 373 Ca -0.16 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.38 3mr4 n GLN 373 Cb 0.54 -2.03 0.00 0.00 2.41 0.00 0.00 30.24 31.16 3mr4 n GLN 373 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mr4 n GLY 374 N 2.20 0.64 3.56 1.69 0.00 -1.26 -4.84 105.19 107.18 3mr4 n GLY 374 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3mr4 n GLY 374 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mr4 s ASP 375 N -2.91 5.48 0.21 1.61 3.68 -0.78 -5.01 116.67 118.96 3mr4 s ASP 375 Ca 0.00 -0.03 -0.05 0.00 2.13 0.00 0.00 52.55 54.59 3mr4 s ASP 375 Cb 0.00 -1.96 0.17 0.00 -1.45 0.00 0.00 42.92 39.68 3mr4 s ASP 375 CO 0.00 0.08 1.65 0.07 0.13 0.00 0.00 175.17 177.10 3mr4 h LYS 376 N 7.39 0.86 -7.15 4.34 2.10 -1.97 -3.47 116.57 118.67 3mr4 h LYS 376 Ca -0.37 -0.31 -0.54 0.00 -2.00 0.00 0.00 60.65 57.43 3mr4 h LYS 376 Cb 1.17 -0.06 0.18 0.00 -0.90 0.00 0.00 32.23 32.63 3mr4 h LYS 376 CO 0.64 0.94 0.33 0.54 -2.00 0.00 0.00 179.45 179.90 3mr4 n ARG 377 N -4.14 0.36 -0.15 0.07 1.74 -1.26 -4.92 116.66 108.36 3mr4 n ARG 377 Ca 0.01 0.20 -0.04 0.00 -0.77 0.00 0.00 57.85 57.25 3mr4 n ARG 377 Cb 0.40 -2.43 0.05 0.00 -1.02 0.00 0.00 32.46 29.46 3mr4 n ARG 377 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3mr4 h LEU 378 N -0.61 0.19 -7.93 0.55 3.38 -1.99 -3.41 115.31 105.49 3mr4 h LEU 378 Ca -0.47 0.05 -0.40 0.00 0.09 0.00 0.00 57.88 57.15 3mr4 h LEU 378 Cb 1.31 0.03 -0.31 0.00 0.09 0.00 0.00 40.66 41.78 3mr4 h LEU 378 CO 0.47 0.14 -0.78 -0.94 0.09 0.00 0.00 178.44 177.42 3mr4 s SER 379 N -5.40 1.02 0.06 -0.43 1.04 -1.26 -4.74 113.70 103.99 3mr4 s SER 379 Ca -0.13 -0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.01 3mr4 s SER 379 Cb 0.14 -0.26 -0.29 0.00 0.10 0.00 0.00 66.02 65.72 3mr4 s SER 379 CO 0.73 0.05 1.10 0.28 0.98 0.00 0.00 173.24 176.38 3mr4 h SER 380 N 6.37 0.84 -4.93 7.02 0.02 -0.25 -3.48 113.55 119.15 3mr4 h SER 380 Ca -0.33 -0.79 0.12 0.00 -0.84 0.00 0.00 61.79 59.95 3mr4 h SER 380 Cb 1.17 -0.26 -0.12 0.00 0.14 0.00 0.00 62.40 63.33 3mr4 h SER 380 CO 0.49 1.59 0.45 -1.48 -1.14 0.00 0.00 176.83 176.74 3mr4 s LEU 381 N -7.79 -0.32 -0.03 5.07 0.05 -1.08 -5.03 118.68 109.55 3mr4 s LEU 381 Ca -0.09 -0.16 -0.11 0.00 0.05 0.00 0.00 54.13 53.82 3mr4 s LEU 381 Cb 0.06 2.16 0.02 0.00 -2.05 0.00 0.00 46.19 46.37 3mr4 s LEU 381 CO 0.93 -0.78 0.24 0.00 -0.55 0.00 0.00 176.35 176.19 3mr4 s ARG 382 N -3.28 0.51 0.22 1.48 1.70 -1.26 -2.36 118.95 115.96 3mr4 s ARG 382 Ca 0.07 -0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.22 3mr4 s ARG 382 Cb -0.01 0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.55 3mr4 s ARG 382 CO -0.05 -0.12 0.10 1.03 -1.08 0.00 0.00 175.30 175.18 3mr4 s ARG 383 N -0.96 1.26 0.18 3.89 1.81 0.11 -4.96 118.95 120.28 3mr4 s ARG 383 Ca -0.10 -1.66 -0.02 0.00 -1.72 0.00 0.00 55.73 52.23 3mr4 s ARG 383 Cb -0.05 0.01 -0.04 0.00 -0.45 0.00 0.00 34.95 34.42 3mr4 s ARG 383 CO 0.02 -0.32 0.12 0.00 -0.68 0.00 0.00 175.30 174.45 3mr4 s ALA 386 N -3.74 2.56 -0.57 0.00 0.00 -1.26 -0.52 121.76 118.23 3mr4 s ALA 386 Ca 0.09 0.97 0.04 0.00 0.00 0.00 0.00 51.96 53.06 3mr4 s ALA 386 Cb -0.04 -3.44 0.15 0.00 0.00 0.00 0.00 23.12 19.80 3mr4 s ALA 386 CO 0.01 -1.12 0.37 -1.17 0.00 0.00 0.00 175.76 173.84 3mr4 s LEU 387 N -4.07 3.87 -0.04 0.00 0.20 -0.69 -4.56 118.68 113.40 3mr4 s LEU 387 Ca 0.76 -3.31 -0.22 0.00 0.69 0.00 0.00 54.13 52.06 3mr4 s LEU 387 Cb -0.29 -1.38 -0.29 0.00 -0.43 0.00 0.00 46.19 43.81 3mr4 s LEU 387 CO 0.32 -0.17 0.95 0.71 -0.29 0.00 0.00 176.35 177.88 3mr4 h THR 388 N 4.87 1.51 -4.50 3.68 1.35 -1.87 -3.40 112.91 114.54 3mr4 h THR 388 Ca 0.07 -2.37 -0.68 0.00 -0.55 0.00 0.00 66.41 62.88 3mr4 h THR 388 Cb 0.84 3.02 -0.29 0.00 -1.73 0.00 0.00 68.15 69.99 3mr4 h THR 388 CO 0.62 0.67 -0.88 -0.13 -0.25 0.00 0.00 175.52 175.56 3mr4 s ARG 389 N -2.67 1.94 -1.54 4.72 0.52 -1.26 -5.02 118.95 115.64 3mr4 s ARG 389 Ca -0.14 -0.93 -0.10 0.00 -0.52 0.00 0.00 55.73 54.05 3mr4 s ARG 389 Cb 0.01 -1.93 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 3mr4 s ARG 389 CO 0.82 0.52 2.71 0.66 0.02 0.00 0.00 175.30 180.03 3mr4 n TYR 390 N 2.32 2.66 -4.21 -0.53 0.53 -1.26 -4.82 117.16 111.85 3mr4 n TYR 390 Ca -0.16 -3.02 -0.30 0.00 -1.02 0.00 0.00 57.90 53.40 3mr4 n TYR 390 Cb 0.52 -2.38 -0.16 0.00 -1.03 0.00 0.00 39.34 36.28 3mr4 n TYR 390 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3mr4 s ASP 391 N 2.00 2.68 0.25 7.72 2.15 -1.26 -4.97 116.67 125.24 3mr4 s ASP 391 Ca 0.62 -0.49 -0.06 0.00 0.43 0.00 0.00 52.55 53.06 3mr4 s ASP 391 Cb 0.17 -1.20 0.28 0.00 -0.30 0.00 0.00 42.92 41.88 3mr4 s ASP 391 CO -0.07 -0.02 1.91 0.00 -0.17 0.00 0.00 175.17 176.82 3mr4 h ALA 392 N 7.80 1.27 -0.23 3.66 0.00 -1.88 -1.79 119.26 128.08 3mr4 h ALA 392 Ca -0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3mr4 h ALA 392 Cb 1.15 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3mr4 h ALA 392 CO 0.53 0.58 0.10 1.25 0.00 0.00 0.00 179.25 181.70 3mr4 h HIS 393 N 1.28 0.34 -0.19 0.00 6.17 -1.93 -1.16 115.15 119.67 3mr4 h HIS 393 Ca 0.37 -0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.41 3mr4 h HIS 393 Cb -0.08 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 29.74 3mr4 h HIS 393 CO -0.00 0.36 0.05 -0.22 0.71 0.00 0.00 177.93 178.83 3mr4 h LYS 394 N 0.22 0.29 -0.83 5.26 3.64 -1.94 -1.93 116.57 121.29 3mr4 h LYS 394 Ca 0.08 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3mr4 h LYS 394 Cb 0.16 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 3mr4 h LYS 394 CO -0.01 0.41 0.54 0.52 -2.27 0.00 0.00 179.45 178.65 3mr4 h MET 395 N 0.12 1.05 -0.68 1.90 2.86 -1.26 0.31 114.93 119.22 3mr4 h MET 395 Ca 0.06 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3mr4 h MET 395 Cb 0.24 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3mr4 h MET 395 CO -0.00 0.69 0.30 0.66 1.06 0.00 0.00 176.91 179.63 3mr4 h SER 396 N 1.08 0.92 0.01 1.22 4.64 -1.06 0.21 113.55 120.57 3mr4 h SER 396 Ca 0.32 -0.15 -0.14 0.00 -0.47 0.00 0.00 61.79 61.35 3mr4 h SER 396 Cb -0.05 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 3mr4 h SER 396 CO -0.10 0.82 -0.45 0.45 -0.87 0.00 0.00 176.83 176.68 3mr4 h HIS 397 N 0.96 0.63 -0.32 4.77 -0.00 -0.62 -0.94 115.15 119.64 3mr4 h HIS 397 Ca 0.23 -0.20 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 3mr4 h HIS 397 Cb 0.16 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 3mr4 h HIS 397 CO 0.01 0.88 0.02 -0.44 -0.00 0.00 0.00 177.93 178.40 3mr4 h ASP 398 N 0.42 0.53 -0.55 2.45 3.32 0.12 -1.19 116.42 121.53 3mr4 h ASP 398 Ca 0.03 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 3mr4 h ASP 398 Cb 0.95 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 3mr4 h ASP 398 CO 0.08 0.69 0.19 0.00 -1.72 0.00 0.00 179.24 178.48 3mr4 h ALA 399 N 0.86 1.22 -0.39 3.45 0.00 -0.48 -1.83 119.26 122.08 3mr4 h ALA 399 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3mr4 h ALA 399 Cb 0.40 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3mr4 h ALA 399 CO 0.01 0.55 0.12 0.35 0.00 0.00 0.00 179.25 180.29 3mr4 h PHE 400 N 0.86 0.63 -0.86 0.00 3.04 -0.93 -0.77 116.94 118.91 3mr4 h PHE 400 Ca 0.20 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.08 3mr4 h PHE 400 Cb 0.24 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.53 3mr4 h PHE 400 CO 0.02 0.59 0.52 1.15 -2.02 0.00 0.00 178.31 178.57 3mr4 h THR 401 N 0.49 1.24 -0.37 4.41 2.02 -0.91 0.56 112.91 120.34 3mr4 h THR 401 Ca 0.13 -0.51 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 3mr4 h THR 401 Cb 0.26 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3mr4 h THR 401 CO -0.00 0.25 -0.06 0.58 0.37 0.00 0.00 175.52 176.65 3mr4 h VAL 402 N 1.18 1.27 0.00 3.16 2.07 -0.91 -3.02 116.25 120.00 3mr4 h VAL 402 Ca 0.31 -1.11 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 3mr4 h VAL 402 Cb -0.06 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3mr4 h VAL 402 CO -0.06 0.37 -0.62 0.16 0.02 0.00 0.00 177.57 177.44 3mr4 h ILE 403 N 0.50 1.30 -0.65 4.57 3.07 -0.69 -3.14 117.51 122.46 3mr4 h ILE 403 Ca 0.10 -2.24 -0.03 0.00 1.55 0.00 0.00 64.86 64.23 3mr4 h ILE 403 Cb 0.56 2.26 -0.03 0.00 -0.27 0.00 0.00 36.82 39.34 3mr4 h ILE 403 CO 0.03 0.61 0.28 0.50 -1.05 0.00 0.00 178.15 178.52 3mr4 h LYS 404 N 0.00 0.95 0.00 0.16 3.11 -0.87 -2.65 116.57 117.27 3mr4 h LYS 404 Ca -0.01 -0.14 -0.03 0.00 -2.81 0.00 0.00 60.65 57.66 3mr4 h LYS 404 Cb 1.21 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 32.27 3mr4 h LYS 404 CO 0.08 0.76 -0.14 -0.91 -2.81 0.00 0.00 179.45 176.43 3mr4 h ASN 405 N 0.94 0.00 -1.01 4.20 2.35 -1.48 -3.34 115.58 117.25 3mr4 h ASN 405 Ca 0.22 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.04 3mr4 h ASN 405 Cb 0.15 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.45 3mr4 h ASN 405 CO -0.02 0.14 0.65 0.00 -1.65 0.00 0.00 177.43 176.54 3mr4 n ASN 407 N -4.51 0.00 -4.55 0.00 4.13 -1.26 -5.18 115.26 103.89 3mr4 n ASN 407 Ca 0.16 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 56.02 3mr4 n ASN 407 Cb 0.20 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.46 3mr4 n ASN 407 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mr4 n ILE 411 N 0.00 2.56 0.26 2.41 3.06 -1.25 -5.16 119.36 121.23 3mr4 n ILE 411 Ca 0.00 -0.50 0.12 0.00 -2.50 0.00 0.00 62.75 59.87 3mr4 n ILE 411 Cb 0.00 -0.95 0.68 0.00 0.54 0.00 0.00 39.64 39.91 3mr4 n ILE 411 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 3mr4 h GLN 412 N 0.91 0.00 0.00 9.51 1.08 -2.02 -3.25 115.11 121.34 3mr4 h GLN 412 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 3mr4 h GLN 412 Cb 1.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 3mr4 h GLN 412 CO 0.53 0.14 -0.60 0.25 -0.95 0.00 0.00 178.83 178.20 3mr4 n THR 413 N -3.60 0.02 -3.84 -0.54 -2.24 -1.26 -4.96 114.28 97.86 3mr4 n THR 413 Ca -0.01 -0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 3mr4 n THR 413 Cb 0.27 0.35 0.01 0.00 -2.10 0.00 0.00 70.33 68.85 3mr4 n THR 413 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mr4 s GLU 414 N -3.01 2.09 -0.33 -0.78 2.02 -1.23 -4.81 118.70 112.66 3mr4 s GLU 414 Ca 0.10 -1.33 -0.18 0.00 0.02 0.00 0.00 54.97 53.58 3mr4 s GLU 414 Cb 0.17 0.61 -0.01 0.00 0.10 0.00 0.00 34.13 35.00 3mr4 s GLU 414 CO 0.73 -0.97 0.49 -1.58 0.02 0.00 0.00 175.26 173.96 3mr4 s TRP 415 N -2.81 3.20 -0.12 1.61 0.51 0.33 -4.32 118.94 117.35 3mr4 s TRP 415 Ca 0.15 0.28 -0.01 0.00 -2.12 0.00 0.00 56.10 54.40 3mr4 s TRP 415 Cb -0.05 -2.84 0.03 0.00 -0.81 0.00 0.00 33.47 29.80 3mr4 s TRP 415 CO 0.11 -0.46 -0.06 -1.54 -0.51 0.00 0.00 176.95 174.49 3mr4 s SER 416 N 1.71 2.21 0.72 2.95 1.04 -1.26 -3.49 113.70 117.58 3mr4 s SER 416 Ca 0.18 -0.34 -0.10 0.00 0.48 0.00 0.00 55.95 56.18 3mr4 s SER 416 Cb -0.16 -0.78 0.05 0.00 0.10 0.00 0.00 66.02 65.23 3mr4 s SER 416 CO 0.12 -0.15 1.07 -2.84 0.98 0.00 0.00 173.24 172.43 3mr4 s PRO 417 N 1.74 2.41 0.77 4.02 0.02 -1.26 -3.81 135.00 138.90 3mr4 s PRO 417 Ca 0.04 0.10 -0.14 0.00 0.02 0.00 0.00 61.00 61.03 3mr4 s PRO 417 Cb -0.13 -2.07 0.06 0.00 0.02 0.00 0.00 34.50 32.38 3mr4 s PRO 417 CO -0.08 -1.22 1.18 -2.14 -0.33 0.00 0.00 177.00 174.42 3mr4 s PRO 418 N -5.35 1.94 -0.07 5.54 0.02 -1.23 -4.62 135.00 131.22 3mr4 s PRO 418 Ca 0.59 1.66 -0.14 0.00 0.02 0.00 0.00 61.00 63.13 3mr4 s PRO 418 Cb -0.11 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 3mr4 s PRO 418 CO 0.48 -1.97 0.37 -0.51 -0.33 0.00 0.00 177.00 175.04 3mr4 s LEU 419 N -5.50 4.37 0.00 -5.54 1.43 -0.77 0.83 118.68 113.50 3mr4 s LEU 419 Ca 0.72 0.77 0.14 0.00 -1.03 0.00 0.00 54.13 54.73 3mr4 s LEU 419 Cb -0.27 -2.51 0.17 0.00 0.03 0.00 0.00 46.19 43.62 3mr4 s LEU 419 CO 0.48 0.21 1.03 0.35 0.23 0.00 0.00 176.35 178.66 3mr4 n THR 420 N 2.64 0.23 -3.64 5.49 -2.24 0.15 -1.24 114.28 115.66 3mr4 n THR 420 Ca -0.13 -0.62 -0.14 0.00 -2.27 0.00 0.00 64.05 60.90 3mr4 n THR 420 Cb 0.52 1.11 -0.08 0.00 -2.10 0.00 0.00 70.33 69.79 3mr4 n THR 420 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3mr4 s MET 421 N -1.13 0.78 -0.04 -0.78 -2.45 -1.15 0.82 119.30 115.35 3mr4 s MET 421 Ca 0.19 0.87 0.02 0.00 -1.25 0.00 0.00 55.69 55.52 3mr4 s MET 421 Cb 0.12 0.38 0.01 0.00 1.25 0.00 0.00 34.83 36.59 3mr4 s MET 421 CO 0.18 -0.10 -0.09 -0.51 1.05 0.00 0.00 175.02 175.55 3mr4 s LEU 422 N 0.25 1.68 -0.02 4.11 1.43 -0.56 -2.94 118.68 122.63 3mr4 s LEU 422 Ca -0.01 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3mr4 s LEU 422 Cb -0.04 -0.58 0.02 0.00 0.03 0.00 0.00 46.19 45.62 3mr4 s LEU 422 CO 0.01 0.04 0.00 0.12 0.23 0.00 0.00 176.35 176.75 3mr4 s PHE 423 N 0.40 0.23 -0.03 0.29 2.19 0.24 -1.44 117.98 119.87 3mr4 s PHE 423 Ca -0.07 0.02 0.04 0.00 0.33 0.00 0.00 56.93 57.25 3mr4 s PHE 423 Cb -0.11 -0.31 -0.00 0.00 -1.31 0.00 0.00 43.02 41.28 3mr4 s PHE 423 CO 0.01 -0.09 -0.16 -0.51 1.83 0.00 0.00 175.22 176.30 3mr4 s LEU 424 N 0.79 1.92 -0.07 6.12 1.43 -0.02 -1.51 118.68 127.34 3mr4 s LEU 424 Ca -0.08 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3mr4 s LEU 424 Cb -0.11 -0.88 0.03 0.00 0.03 0.00 0.00 46.19 45.26 3mr4 s LEU 424 CO -0.02 0.15 0.18 0.00 0.23 0.00 0.00 176.35 176.89 3mr4 s ALA 426 N 0.58 3.10 0.00 0.00 0.00 0.52 -0.47 121.76 125.49 3mr4 s ALA 426 Ca -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3mr4 s ALA 426 Cb -0.05 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.49 3mr4 s ALA 426 CO -0.03 0.29 0.00 -2.37 0.00 0.00 0.00 175.76 173.65 3mr4 n THR 427 N 3.25 0.00 -3.54 0.00 5.66 -0.26 -0.56 114.28 118.82 3mr4 n THR 427 Ca -0.17 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.63 3mr4 n THR 427 Cb 0.53 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.37 3mr4 n THR 427 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3mr4 n LYS 428 N 0.00 -5.27 -2.10 1.09 4.81 -1.26 -1.97 118.16 113.46 3mr4 n LYS 428 Ca 0.00 0.74 -0.38 0.00 -0.87 0.00 0.00 58.31 57.80 3mr4 n LYS 428 Cb 0.00 -5.50 0.01 0.00 0.02 0.00 0.00 35.03 29.56 3mr4 n LYS 428 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3mr4 s PHE 429 N -3.50 2.69 0.00 5.64 0.08 -1.26 -2.76 117.98 118.86 3mr4 s PHE 429 Ca 0.06 1.48 0.00 0.00 0.12 0.00 0.00 56.93 58.59 3mr4 s PHE 429 Cb -0.01 -3.53 0.00 0.00 -0.57 0.00 0.00 43.02 38.91 3mr4 s PHE 429 CO 0.77 -1.97 0.00 -1.13 -0.10 0.00 0.00 175.22 172.79