#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmr s GLU 17 N 0.00 4.38 0.32 2.89 2.02 -1.26 -4.95 118.70 122.11 1wmr s GLU 17 Ca 0.00 1.85 -0.28 0.00 0.02 0.00 0.00 54.97 56.56 1wmr s GLU 17 Cb 0.00 -2.96 -0.13 0.00 0.10 0.00 0.00 34.13 31.15 1wmr s GLU 17 CO 0.00 -0.04 1.22 1.19 0.02 0.00 0.00 175.26 177.65 1wmr n PHE 18 N 0.68 2.01 -3.90 1.61 3.01 -1.26 -4.99 117.46 114.62 1wmr n PHE 18 Ca 0.01 0.59 -0.11 0.00 1.01 0.00 0.00 57.45 58.96 1wmr n PHE 18 Cb 0.45 -2.37 -0.10 0.00 -0.01 0.00 0.00 39.48 37.45 1wmr n PHE 18 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 1wmr s MET 19 N -1.75 0.45 0.33 -1.08 1.75 -1.26 -5.14 119.30 112.60 1wmr s MET 19 Ca 0.57 -0.45 -0.29 0.00 -1.25 0.00 0.00 55.69 54.26 1wmr s MET 19 Cb -0.61 0.18 -0.10 0.00 2.84 0.00 0.00 34.83 37.14 1wmr s MET 19 CO 0.61 -0.10 1.31 0.00 -0.65 0.00 0.00 175.02 176.19 1wmr s ALA 20 N -1.42 3.50 -0.19 4.11 0.00 -1.26 -5.02 121.76 121.47 1wmr s ALA 20 Ca -0.15 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.07 1wmr s ALA 20 Cb -0.08 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.61 1wmr s ALA 20 CO 0.01 -0.64 -0.09 0.54 0.00 0.00 0.00 175.76 175.58 1wmr s VAL 21 N -1.13 1.53 0.41 0.00 0.11 -1.26 -5.02 120.40 115.04 1wmr s VAL 21 Ca 0.49 -0.95 0.06 0.00 -2.93 0.00 0.00 61.98 58.65 1wmr s VAL 21 Cb -0.40 -1.64 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 1wmr s VAL 21 CO 0.53 0.14 0.57 0.42 -3.33 0.00 0.00 175.10 173.43 1wmr s THR 22 N 1.44 3.52 -0.03 5.04 -4.23 -1.26 -0.85 115.64 119.28 1wmr s THR 22 Ca -0.01 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1wmr s THR 22 Cb -0.16 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 1wmr s THR 22 CO -0.08 -0.11 0.01 0.00 -0.54 0.00 0.00 174.62 173.90 1wmr s ALA 23 N -2.36 3.32 -0.44 3.99 0.00 -1.26 -4.93 121.76 120.08 1wmr s ALA 23 Ca 0.50 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.64 1wmr s ALA 23 Cb -0.10 -1.41 0.25 0.00 0.00 0.00 0.00 23.12 21.86 1wmr s ALA 23 CO 0.34 0.63 0.73 -1.71 0.00 0.00 0.00 175.76 175.74 1wmr n ASN 24 N 1.61 -1.47 -4.07 0.00 2.85 -1.22 -1.39 115.26 111.56 1wmr n ASN 24 Ca -0.16 -3.03 -0.27 0.00 -0.11 0.00 0.00 54.58 51.01 1wmr n ASN 24 Cb 0.53 0.69 -0.08 0.00 1.24 0.00 0.00 39.78 42.17 1wmr n ASN 24 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wmr s ASN 25 N -1.47 3.00 0.00 1.20 4.22 -0.61 -5.03 114.94 116.24 1wmr s ASN 25 Ca 0.33 -1.74 0.19 0.00 -2.14 0.00 0.00 52.86 49.51 1wmr s ASN 25 Cb 0.21 0.62 1.14 0.00 1.28 0.00 0.00 41.25 44.49 1wmr s ASN 25 CO -0.18 -0.99 1.55 -1.54 -2.04 0.00 0.00 177.10 173.90 1wmr n SER 26 N -1.46 0.00 -0.01 3.54 3.41 -1.26 -3.15 113.62 114.70 1wmr n SER 26 Ca -0.07 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 1wmr n SER 26 Cb 0.65 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 1wmr n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wmr n GLN 27 N -1.03 1.84 -3.75 4.33 6.02 -1.26 -4.60 117.38 118.93 1wmr n GLN 27 Ca 0.14 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.98 1wmr n GLN 27 Cb 0.08 -1.08 -0.10 0.00 1.02 0.00 0.00 30.24 30.15 1wmr n GLN 27 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wmr s LEU 28 N -3.74 0.65 -0.07 1.08 2.96 -1.19 -1.73 118.68 116.63 1wmr s LEU 28 Ca -0.01 0.66 -0.02 0.00 -0.22 0.00 0.00 54.13 54.53 1wmr s LEU 28 Cb 0.02 1.24 0.03 0.00 0.50 0.00 0.00 46.19 47.98 1wmr s LEU 28 CO 0.13 -0.16 0.03 -0.22 -1.32 0.00 0.00 176.35 174.81 1wmr s LEU 29 N 0.02 0.43 0.28 -0.68 2.96 -0.44 -1.58 118.68 119.67 1wmr s LEU 29 Ca -0.02 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 1wmr s LEU 29 Cb -0.03 -0.32 -0.06 0.00 0.50 0.00 0.00 46.19 46.29 1wmr s LEU 29 CO 0.01 -0.23 0.02 0.42 -1.32 0.00 0.00 176.35 175.25 1wmr s THR 30 N 2.06 1.14 0.29 3.68 -4.23 -0.49 -1.68 115.64 116.41 1wmr s THR 30 Ca 0.04 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.46 1wmr s THR 30 Cb -0.13 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 1wmr s THR 30 CO -0.05 -0.16 0.43 -1.66 -0.54 0.00 0.00 174.62 172.64 1wmr s TRP 31 N -3.34 0.78 0.25 3.99 -2.14 -1.26 -3.99 118.94 113.23 1wmr s TRP 31 Ca 0.33 -1.07 -0.01 0.00 2.66 0.00 0.00 56.10 58.01 1wmr s TRP 31 Cb 0.07 -0.02 -0.03 0.00 -3.10 0.00 0.00 33.47 30.39 1wmr s TRP 31 CO 0.12 -1.02 0.25 -0.46 -2.66 0.00 0.00 176.95 173.19 1wmr s TRP 32 N -3.58 1.18 -0.08 1.66 -0.11 -1.26 -1.57 118.94 115.17 1wmr s TRP 32 Ca 0.28 -1.35 -0.03 0.00 1.22 0.00 0.00 56.10 56.22 1wmr s TRP 32 Cb 0.00 -0.44 0.04 0.00 -1.50 0.00 0.00 33.47 31.58 1wmr s TRP 32 CO 0.14 -0.80 0.08 -1.01 -4.62 0.00 0.00 176.95 170.74 1wmr s HIS 33 N -3.84 0.09 -0.82 5.86 3.76 -1.26 -4.95 115.29 114.13 1wmr s HIS 33 Ca 0.36 0.09 0.21 0.00 -0.15 0.00 0.00 55.06 55.58 1wmr s HIS 33 Cb 0.04 -0.54 0.87 0.00 1.11 0.00 0.00 32.58 34.06 1wmr s HIS 33 CO 0.16 -0.30 1.67 0.09 -0.85 0.00 0.00 174.74 175.51 1wmr n ASN 34 N 5.29 0.30 -1.80 1.40 3.02 -1.26 -2.52 115.26 119.69 1wmr n ASN 34 Ca -0.04 0.56 -0.17 0.00 -0.03 0.00 0.00 54.58 54.90 1wmr n ASN 34 Cb 0.50 -0.63 0.18 0.00 -0.61 0.00 0.00 39.78 39.22 1wmr n ASN 34 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1wmr n THR 35 N -1.81 2.95 -2.07 3.41 -2.24 -1.26 -4.99 114.28 108.27 1wmr n THR 35 Ca 0.04 -2.34 -0.39 0.00 -2.27 0.00 0.00 64.05 59.09 1wmr n THR 35 Cb 0.26 -0.44 -0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1wmr n THR 35 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wmr s GLY 36 N -1.86 2.90 -0.10 3.38 0.00 -1.05 -1.93 107.32 108.66 1wmr s GLY 36 Ca 0.52 1.20 0.01 0.00 0.00 0.00 0.00 44.72 46.45 1wmr s GLY 36 CO 0.06 1.76 -0.11 1.85 0.00 0.00 0.00 173.10 176.66 1wmr s GLU 37 N -2.33 1.78 -0.44 2.90 2.12 0.91 -4.81 118.70 118.83 1wmr s GLU 37 Ca 0.58 -0.38 -0.29 0.00 0.36 0.00 0.00 54.97 55.24 1wmr s GLU 37 Cb -0.37 -1.65 0.03 0.00 0.26 0.00 0.00 34.13 32.39 1wmr s GLU 37 CO 0.47 -0.15 1.15 0.42 -0.54 0.00 0.00 175.26 176.60 1wmr s ILE 38 N 1.29 4.24 -0.30 -3.70 -1.09 -1.26 -1.16 121.20 119.22 1wmr s ILE 38 Ca -0.02 1.30 -0.10 0.00 -2.23 0.00 0.00 60.65 59.60 1wmr s ILE 38 Cb -0.14 -4.55 0.14 0.00 -1.58 0.00 0.00 42.46 36.33 1wmr s ILE 38 CO -0.04 -0.90 0.68 0.21 -1.23 0.00 0.00 174.94 173.65 1wmr s ASN 39 N 2.41 -1.12 -0.13 3.58 3.84 -1.26 -5.01 114.94 117.24 1wmr s ASN 39 Ca 0.48 1.44 0.17 0.00 0.21 0.00 0.00 52.86 55.16 1wmr s ASN 39 Cb -0.08 2.24 0.35 0.00 -0.55 0.00 0.00 41.25 43.20 1wmr s ASN 39 CO 0.29 -0.21 1.23 0.35 -2.79 0.00 0.00 177.10 175.97 1wmr n THR 40 N 5.41 1.93 0.00 -5.21 -2.24 -1.26 -4.81 114.28 108.10 1wmr n THR 40 Ca -0.11 -2.02 0.00 0.00 -2.27 0.00 0.00 64.05 59.66 1wmr n THR 40 Cb 0.50 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1wmr n THR 40 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1wmr n GLN 41 N -1.01 0.00 -4.62 -0.78 7.27 -1.26 -4.99 117.38 111.99 1wmr n GLN 41 Ca 0.17 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.95 1wmr n GLN 41 Cb 0.69 -0.69 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 1wmr n GLN 41 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1wmr s THR 42 N -1.44 0.99 0.59 1.69 -4.23 -1.26 -4.45 115.64 107.53 1wmr s THR 42 Ca 0.00 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.33 1wmr s THR 42 Cb 0.00 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 1wmr s THR 42 CO 0.00 0.00 1.17 -2.84 -0.54 0.00 0.00 174.62 172.41 1wmr s PRO 43 N -3.79 3.03 0.57 3.99 0.02 -1.25 -4.53 135.00 133.03 1wmr s PRO 43 Ca 0.19 1.70 -0.04 0.00 0.02 0.00 0.00 61.00 62.87 1wmr s PRO 43 Cb 0.03 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.62 1wmr s PRO 43 CO 0.10 -1.13 0.85 0.14 -0.33 0.00 0.00 177.00 176.63 1wmr s VAL 44 N -1.76 3.37 0.52 3.83 -7.23 -1.26 -5.03 120.40 112.84 1wmr s VAL 44 Ca 0.74 -0.25 -0.22 0.00 -1.81 0.00 0.00 61.98 60.44 1wmr s VAL 44 Cb -0.27 -3.32 -0.06 0.00 0.56 0.00 0.00 36.38 33.29 1wmr s VAL 44 CO 0.33 -0.29 1.29 0.00 -0.31 0.00 0.00 175.10 176.11 1wmr s ALA 45 N -2.90 2.85 0.26 1.32 0.00 -1.26 -4.85 121.76 117.18 1wmr s ALA 45 Ca 0.54 1.19 -0.05 0.00 0.00 0.00 0.00 51.96 53.63 1wmr s ALA 45 Cb -0.10 -3.50 0.48 0.00 0.00 0.00 0.00 23.12 20.00 1wmr s ALA 45 CO 0.42 -1.13 1.42 -0.25 0.00 0.00 0.00 175.76 176.23 1wmr n ASP 46 N -0.89 -0.28 -0.57 0.00 10.43 -1.26 0.57 116.55 124.55 1wmr n ASP 46 Ca 0.10 1.56 0.07 0.00 2.57 0.00 0.00 54.79 59.09 1wmr n ASP 46 Cb 0.46 -0.49 0.24 0.00 1.84 0.00 0.00 41.12 43.17 1wmr n ASP 46 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1wmr n GLY 47 N -1.55 0.40 3.90 0.44 0.00 -1.26 -4.83 105.19 102.29 1wmr n GLY 47 Ca 0.16 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1wmr n GLY 47 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wmr s ASN 48 N -1.22 5.76 -0.15 1.61 -0.87 0.19 -4.80 114.94 115.46 1wmr s ASN 48 Ca 0.26 -0.21 0.01 0.00 -1.57 0.00 0.00 52.86 51.34 1wmr s ASN 48 Cb 0.14 -1.39 0.02 0.00 -0.02 0.00 0.00 41.25 40.00 1wmr s ASN 48 CO 0.19 -0.19 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.68 1wmr s VAL 49 N -2.14 1.70 0.14 1.60 1.01 -0.81 -4.71 120.40 117.19 1wmr s VAL 49 Ca 0.37 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.32 1wmr s VAL 49 Cb -0.08 -1.57 -0.10 0.00 0.00 0.00 0.00 36.38 34.62 1wmr s VAL 49 CO 0.28 0.48 1.75 -0.60 0.00 0.00 0.00 175.10 177.01 1wmr s ARG 50 N 1.38 4.15 0.02 2.72 3.52 -1.26 -0.06 118.95 129.42 1wmr s ARG 50 Ca 0.04 2.53 0.09 0.00 -0.13 0.00 0.00 55.73 58.26 1wmr s ARG 50 Cb -0.13 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 1wmr s ARG 50 CO -0.10 -0.78 -0.25 -1.14 -0.81 0.00 0.00 175.30 172.21 1wmr s GLN 51 N 2.21 1.82 0.23 5.12 0.74 -0.31 -2.42 119.66 127.05 1wmr s GLN 51 Ca 0.77 -1.02 -0.31 0.00 0.05 0.00 0.00 55.36 54.85 1wmr s GLN 51 Cb -0.46 -1.92 -0.11 0.00 1.10 0.00 0.00 33.01 31.62 1wmr s GLN 51 CO 0.34 0.51 1.63 0.45 -0.55 0.00 0.00 175.29 177.67 1wmr s SER 52 N -1.03 6.44 0.00 6.67 0.15 0.04 -4.40 113.70 121.57 1wmr s SER 52 Ca 0.11 2.83 0.23 0.00 0.70 0.00 0.00 55.95 59.81 1wmr s SER 52 Cb -0.10 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.61 1wmr s SER 52 CO 0.01 -0.91 1.09 0.61 1.20 0.00 0.00 173.24 175.25 1wmr n GLY 53 N 3.28 -0.20 0.10 9.45 0.00 -1.26 -4.44 105.19 112.12 1wmr n GLY 53 Ca 0.13 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 1wmr n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wmr n LEU 54 N -0.34 1.42 -4.38 0.99 7.94 -1.26 -4.89 117.00 116.48 1wmr n LEU 54 Ca 0.08 -0.06 -0.32 0.00 -1.11 0.00 0.00 56.01 54.60 1wmr n LEU 54 Cb 0.44 -0.15 -0.14 0.00 0.53 0.00 0.00 43.42 44.09 1wmr n LEU 54 CO 0.31 0.65 -0.49 -0.31 -1.11 0.00 0.00 177.39 176.45 1wmr s TYR 55 N -2.45 2.65 -0.11 1.96 2.02 -1.26 -4.12 117.35 116.05 1wmr s TYR 55 Ca -0.19 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.05 1wmr s TYR 55 Cb 0.07 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1wmr s TYR 55 CO 0.64 -0.06 -0.19 0.45 -1.57 0.00 0.00 175.55 174.82 1wmr s SER 56 N -0.23 3.50 -0.02 2.29 0.15 0.02 -4.78 113.70 114.63 1wmr s SER 56 Ca 0.00 -0.45 0.06 0.00 0.70 0.00 0.00 55.95 56.26 1wmr s SER 56 Cb -0.13 -1.47 -0.01 0.00 -1.71 0.00 0.00 66.02 62.69 1wmr s SER 56 CO 0.03 0.17 -0.20 -0.69 1.20 0.00 0.00 173.24 173.75 1wmr s VAL 57 N 0.31 1.56 0.02 4.45 1.01 -1.26 -0.58 120.40 125.91 1wmr s VAL 57 Ca -0.15 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1wmr s VAL 57 Cb -0.17 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1wmr s VAL 57 CO 0.07 0.44 -0.01 -0.54 0.00 0.00 0.00 175.10 175.06 1wmr s LYS 58 N -0.44 0.39 0.03 2.72 1.02 0.22 -1.52 119.74 122.16 1wmr s LYS 58 Ca 0.07 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.39 1wmr s LYS 58 Cb -0.08 0.14 -0.02 0.00 -0.52 0.00 0.00 37.83 37.35 1wmr s LYS 58 CO -0.01 -0.07 -0.09 0.08 -0.92 0.00 0.00 175.35 174.35 1wmr s VAL 59 N -1.91 0.67 -0.03 3.17 1.01 0.55 0.57 120.40 124.43 1wmr s VAL 59 Ca -0.12 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 1wmr s VAL 59 Cb -0.06 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.69 1wmr s VAL 59 CO -0.02 -0.15 0.03 -1.58 0.00 0.00 0.00 175.10 173.38 1wmr s GLN 60 N -1.09 0.04 0.38 2.72 0.74 -0.27 -1.03 119.66 121.16 1wmr s GLN 60 Ca -0.04 0.19 -0.27 0.00 0.05 0.00 0.00 55.36 55.29 1wmr s GLN 60 Cb -0.07 -0.35 -0.10 0.00 1.10 0.00 0.00 33.01 33.59 1wmr s GLN 60 CO 0.01 -0.18 1.35 0.99 -0.55 0.00 0.00 175.29 176.90 1wmr s THR 61 N 1.22 2.48 0.81 -0.34 2.01 -1.26 0.13 115.64 120.69 1wmr s THR 61 Ca -0.07 0.45 -0.12 0.00 0.31 0.00 0.00 61.69 62.26 1wmr s THR 61 Cb -0.13 -3.28 0.08 0.00 0.01 0.00 0.00 72.50 69.18 1wmr s THR 61 CO -0.03 0.09 1.11 0.42 -0.69 0.00 0.00 174.62 175.52 1wmr s THR 62 N -1.19 2.86 0.41 -0.82 -4.23 -0.74 -4.58 115.64 107.35 1wmr s THR 62 Ca 0.54 0.28 -0.25 0.00 -1.18 0.00 0.00 61.69 61.08 1wmr s THR 62 Cb -0.41 -3.05 -0.08 0.00 1.34 0.00 0.00 72.50 70.30 1wmr s THR 62 CO 0.54 -0.36 1.16 -2.16 -0.54 0.00 0.00 174.62 173.26 1wmr s PRO 63 N -5.21 3.99 0.09 3.99 0.04 -1.26 -4.95 135.00 131.69 1wmr s PRO 63 Ca 0.61 1.81 -0.32 0.00 0.04 0.00 0.00 61.00 63.15 1wmr s PRO 63 Cb -0.14 -2.60 -0.11 0.00 0.04 0.00 0.00 34.50 31.69 1wmr s PRO 63 CO 0.54 -0.37 1.84 0.00 0.04 0.00 0.00 177.00 179.04 1wmr n ALA 64 N -0.07 1.91 -4.16 8.56 0.00 -1.26 -4.96 120.51 120.52 1wmr n ALA 64 Ca 0.05 0.31 -0.21 0.00 0.00 0.00 0.00 53.44 53.59 1wmr n ALA 64 Cb 0.47 -2.57 -0.07 0.00 0.00 0.00 0.00 19.45 17.28 1wmr n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wmr n SER 65 N 5.76 -0.78 -0.40 0.00 3.41 -1.26 -5.03 113.62 115.32 1wmr n SER 65 Ca 0.19 -3.04 0.11 0.00 -0.26 0.00 0.00 58.87 55.87 1wmr n SER 65 Cb 0.36 1.73 0.48 0.00 -0.26 0.00 0.00 64.21 66.52 1wmr n SER 65 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wmr n SER 66 N -1.73 1.21 -3.10 4.04 3.41 -1.26 -4.90 113.62 111.28 1wmr n SER 66 Ca 0.06 -1.57 -0.17 0.00 -0.26 0.00 0.00 58.87 56.94 1wmr n SER 66 Cb 0.57 -0.06 0.15 0.00 -0.26 0.00 0.00 64.21 64.61 1wmr n SER 66 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wmr n SER 67 N -0.00 -2.15 -4.60 4.04 3.41 -1.26 -4.94 113.62 108.11 1wmr n SER 67 Ca 0.17 -0.74 -0.40 0.00 -0.26 0.00 0.00 58.87 57.63 1wmr n SER 67 Cb 0.27 -0.56 0.02 0.00 -0.26 0.00 0.00 64.21 63.69 1wmr n SER 67 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1wmr n LEU 68 N 0.00 2.77 -4.16 1.04 7.94 -1.26 -5.03 117.00 118.30 1wmr n LEU 68 Ca 0.08 0.96 -0.31 0.00 -1.11 0.00 0.00 56.01 55.63 1wmr n LEU 68 Cb 0.33 -1.35 -0.17 0.00 0.53 0.00 0.00 43.42 42.76 1wmr n LEU 68 CO 0.22 -1.65 -0.54 -0.31 -1.11 0.00 0.00 177.39 174.00 1wmr s TYR 69 N -1.36 2.49 -0.10 1.96 2.02 -1.26 -4.81 117.35 116.29 1wmr s TYR 69 Ca 0.66 -1.18 -0.16 0.00 -0.37 0.00 0.00 57.07 56.03 1wmr s TYR 69 Cb -0.51 -1.70 -0.05 0.00 -0.40 0.00 0.00 41.96 39.30 1wmr s TYR 69 CO 0.54 -0.53 0.41 0.71 -1.57 0.00 0.00 175.55 175.11 1wmr s TYR 70 N 0.71 3.56 0.53 2.71 1.51 -0.20 -4.81 117.35 121.36 1wmr s TYR 70 Ca -0.10 0.83 -0.22 0.00 -1.01 0.00 0.00 57.07 56.57 1wmr s TYR 70 Cb -0.16 -2.42 -0.05 0.00 -0.11 0.00 0.00 41.96 39.22 1wmr s TYR 70 CO 0.01 0.32 1.32 -0.51 -1.11 0.00 0.00 175.55 175.58 1wmr s ASP 71 N 0.12 5.40 -0.17 2.29 1.01 -0.03 -0.33 116.67 124.96 1wmr s ASP 71 Ca 0.23 2.69 -0.04 0.00 0.71 0.00 0.00 52.55 56.14 1wmr s ASP 71 Cb -0.15 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.21 1wmr s ASP 71 CO 0.09 -1.48 0.06 -0.55 0.21 0.00 0.00 175.17 173.50 1wmr s SER 72 N -1.03 2.54 0.13 0.27 0.15 -0.58 -4.20 113.70 110.98 1wmr s SER 72 Ca 0.71 -0.67 -0.35 0.00 0.70 0.00 0.00 55.95 56.34 1wmr s SER 72 Cb -0.38 -0.42 -0.15 0.00 -1.71 0.00 0.00 66.02 63.36 1wmr s SER 72 CO 0.45 -0.32 1.40 0.33 1.20 0.00 0.00 173.24 176.31 1wmr n PHE 73 N 5.16 1.79 -3.68 3.44 7.35 -0.61 -4.27 117.46 126.64 1wmr n PHE 73 Ca -0.08 0.50 -0.39 0.00 -0.76 0.00 0.00 57.45 56.73 1wmr n PHE 73 Cb 0.48 -2.41 -0.11 0.00 0.35 0.00 0.00 39.48 37.79 1wmr n PHE 73 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1wmr s VAL 74 N 0.50 4.03 0.89 -2.13 1.01 -1.26 -4.41 120.40 119.02 1wmr s VAL 74 Ca 0.80 -1.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1wmr s VAL 74 Cb -0.83 -3.34 0.12 0.00 0.00 0.00 0.00 36.38 32.34 1wmr s VAL 74 CO 0.45 -0.30 1.16 -0.31 0.00 0.00 0.00 175.10 176.10 1wmr s TYR 75 N 1.43 2.57 -0.14 5.22 2.02 0.28 -0.78 117.35 127.94 1wmr s TYR 75 Ca 0.01 0.78 -0.10 0.00 -0.37 0.00 0.00 57.07 57.39 1wmr s TYR 75 Cb -0.20 -3.47 0.05 0.00 -0.40 0.00 0.00 41.96 37.93 1wmr s TYR 75 CO 0.03 -2.21 0.36 -1.17 -1.57 0.00 0.00 175.55 170.99 1wmr s LEU 76 N -5.89 0.28 -0.00 -1.29 2.96 -1.02 -2.14 118.68 111.58 1wmr s LEU 76 Ca 0.64 0.76 0.07 0.00 -0.22 0.00 0.00 54.13 55.38 1wmr s LEU 76 Cb -0.13 1.18 -0.03 0.00 0.50 0.00 0.00 46.19 47.72 1wmr s LEU 76 CO 0.52 -0.16 -0.22 0.00 -1.32 0.00 0.00 176.35 175.17 1wmr s ALA 77 N 0.91 2.38 0.06 5.97 0.00 -0.47 -4.73 121.76 125.88 1wmr s ALA 77 Ca -0.06 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.81 1wmr s ALA 77 Cb -0.07 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1wmr s ALA 77 CO -0.07 0.55 -0.12 0.96 0.00 0.00 0.00 175.76 177.08 1wmr s ILE 78 N -0.74 0.92 0.16 0.00 -0.00 -1.26 -2.09 121.20 118.19 1wmr s ILE 78 Ca 0.12 -1.24 -0.33 0.00 -0.00 0.00 0.00 60.65 59.19 1wmr s ILE 78 Cb -0.10 -0.93 -0.13 0.00 -0.00 0.00 0.00 42.46 41.30 1wmr s ILE 78 CO 0.01 -0.28 1.68 -0.81 -0.00 0.00 0.00 174.94 175.54 1wmr n PRO 79 N 1.32 2.43 -0.62 0.37 -0.04 -1.26 -0.98 135.00 136.23 1wmr n PRO 79 Ca -0.22 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 1wmr n PRO 79 Cb 0.54 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1wmr n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wmr n GLY 80 N 3.76 1.03 2.53 0.55 0.00 -1.26 -4.15 105.19 107.65 1wmr n GLY 80 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1wmr n GLY 80 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wmr n ASN 81 N 0.00 -3.04 0.00 1.61 3.02 -0.15 0.75 115.26 117.45 1wmr n ASN 81 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1wmr n ASN 81 Cb 0.00 -2.62 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 1wmr n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wmr n GLY 82 N -0.74 0.96 3.40 7.41 0.00 -1.26 -4.15 105.19 110.81 1wmr n GLY 82 Ca -0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 1wmr n GLY 82 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wmr s MET 83 N -0.67 3.52 0.32 1.61 -1.94 0.23 -3.92 119.30 118.46 1wmr s MET 83 Ca 0.00 -1.90 0.09 0.00 -1.71 0.00 0.00 55.69 52.17 1wmr s MET 83 Cb 0.00 -4.67 0.84 0.00 2.01 0.00 0.00 34.83 33.02 1wmr s MET 83 CO 0.00 -1.60 1.76 0.66 -0.01 0.00 0.00 175.02 175.83 1wmr h SER 84 N 8.57 0.70 0.00 3.03 4.64 -1.85 1.00 113.55 129.64 1wmr h SER 84 Ca 0.08 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1wmr h SER 84 Cb 1.04 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1wmr h SER 84 CO 1.00 0.19 0.00 -0.90 -0.87 0.00 0.00 176.83 176.24 1wmr n ASP 85 N -4.79 0.00 -0.00 4.97 3.85 -1.26 -1.99 116.55 117.33 1wmr n ASP 85 Ca 0.25 -0.76 0.05 0.00 -0.71 0.00 0.00 54.79 53.62 1wmr n ASP 85 Cb 0.68 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.38 1wmr n ASP 85 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.20 177.86 1wmr n GLN 86 N -0.71 2.89 -0.25 0.11 -0.06 0.34 -4.58 117.38 115.12 1wmr n GLN 86 Ca 0.05 -0.02 0.16 0.00 -2.00 0.00 0.00 57.00 55.18 1wmr n GLN 86 Cb 0.02 -1.05 0.45 0.00 -4.06 0.00 0.00 30.24 25.60 1wmr n GLN 86 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1wmr h LEU 87 N 0.00 0.52 -2.02 1.69 3.38 -1.47 -0.48 115.31 116.94 1wmr h LEU 87 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wmr h LEU 87 Cb 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1wmr h LEU 87 CO 0.00 0.24 0.23 0.06 0.09 0.00 0.00 178.44 179.05 1wmr h GLN 88 N 0.54 0.00 -0.32 1.13 3.07 -1.81 0.43 115.11 118.15 1wmr h GLN 88 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.20 1wmr h GLN 88 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.50 1wmr h GLN 88 CO -0.20 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.38 1wmr n TYR 89 N -2.77 0.41 -3.92 0.06 0.53 -0.19 -4.89 117.16 106.39 1wmr n TYR 89 Ca -0.02 -0.21 -0.27 0.00 -1.02 0.00 0.00 57.90 56.39 1wmr n TYR 89 Cb 0.28 0.00 -0.01 0.00 -1.03 0.00 0.00 39.34 38.58 1wmr n TYR 89 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1wmr s THR 90 N -1.59 1.61 -1.00 -0.72 -4.23 0.15 -2.41 115.64 107.45 1wmr s THR 90 Ca 0.35 -1.51 0.24 0.00 -1.18 0.00 0.00 61.69 59.58 1wmr s THR 90 Cb 0.20 -2.13 0.20 0.00 1.34 0.00 0.00 72.50 72.11 1wmr s THR 90 CO 0.28 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 176.11 1wmr n GLN 91 N -1.75 0.00 -0.56 3.99 1.13 -1.26 -4.90 117.38 114.03 1wmr n GLN 91 Ca -0.02 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1wmr n GLN 91 Cb 0.64 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.49 1wmr n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wmr n GLY 92 N 0.94 0.74 3.88 1.08 0.00 -1.26 -5.06 105.19 105.50 1wmr n GLY 92 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1wmr n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wmr s TYR 93 N -2.32 3.16 -0.32 1.61 4.12 -1.26 -4.99 117.35 117.34 1wmr s TYR 93 Ca 0.00 0.98 0.08 0.00 0.02 0.00 0.00 57.07 58.15 1wmr s TYR 93 Cb 0.00 -3.19 0.55 0.00 -1.52 0.00 0.00 41.96 37.80 1wmr s TYR 93 CO 0.00 -1.42 1.57 0.27 0.02 0.00 0.00 175.55 175.98 1wmr n ASN 94 N -3.15 2.80 -4.82 2.29 0.23 -1.26 -4.98 115.26 106.37 1wmr n ASN 94 Ca 0.07 -3.73 -0.34 0.00 -0.53 0.00 0.00 54.58 50.05 1wmr n ASN 94 Cb 0.58 -0.68 -0.06 0.00 -2.08 0.00 0.00 39.78 37.54 1wmr n ASN 94 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1wmr s GLN 95 N -3.25 4.26 0.22 -3.83 -0.21 -1.26 -4.91 119.66 110.68 1wmr s GLN 95 Ca 0.47 1.02 0.09 0.00 0.02 0.00 0.00 55.36 56.96 1wmr s GLN 95 Cb 0.42 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.88 1wmr s GLN 95 CO 0.02 0.16 -0.17 0.95 -2.12 0.00 0.00 175.29 174.13 1wmr s THR 96 N -1.89 1.99 -0.18 -0.19 -4.23 0.14 -4.37 115.64 106.92 1wmr s THR 96 Ca 0.54 -2.19 -0.02 0.00 -1.18 0.00 0.00 61.69 58.84 1wmr s THR 96 Cb -0.13 -2.07 0.05 0.00 1.34 0.00 0.00 72.50 71.69 1wmr s THR 96 CO 0.18 -0.46 -0.00 -1.58 -0.54 0.00 0.00 174.62 172.22 1wmr s GLN 97 N -3.37 0.98 0.25 3.99 0.74 -0.89 -0.94 119.66 120.43 1wmr s GLN 97 Ca 0.23 -0.46 0.06 0.00 0.05 0.00 0.00 55.36 55.24 1wmr s GLN 97 Cb -0.03 -2.01 -0.03 0.00 1.10 0.00 0.00 33.01 32.03 1wmr s GLN 97 CO 0.09 -0.54 0.30 0.00 -0.55 0.00 0.00 175.29 174.59 1wmr s ALA 98 N 1.75 3.81 -0.04 1.58 0.00 0.10 -1.37 121.76 127.60 1wmr s ALA 98 Ca -0.00 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.34 1wmr s ALA 98 Cb -0.16 -1.54 0.10 0.00 0.00 0.00 0.00 23.12 21.52 1wmr s ALA 98 CO -0.07 0.22 0.86 1.67 0.00 0.00 0.00 175.76 178.43 1wmr s TRP 99 N -2.06 -0.42 0.01 0.00 -2.14 -0.91 -0.81 118.94 112.61 1wmr s TRP 99 Ca 0.34 0.47 -0.00 0.00 2.66 0.00 0.00 56.10 59.57 1wmr s TRP 99 Cb -0.08 0.50 -0.01 0.00 -3.10 0.00 0.00 33.47 30.77 1wmr s TRP 99 CO 0.27 -0.53 -0.01 -0.08 -2.66 0.00 0.00 176.95 173.95 1wmr s THR 100 N -2.35 0.07 0.10 0.66 -1.32 -0.61 -0.56 115.64 111.63 1wmr s THR 100 Ca 0.00 -0.54 0.08 0.00 -1.21 0.00 0.00 61.69 60.02 1wmr s THR 100 Cb -0.01 -0.17 -0.03 0.00 -1.51 0.00 0.00 72.50 70.77 1wmr s THR 100 CO -0.04 -0.30 -0.20 -0.44 -2.21 0.00 0.00 174.62 171.44 1wmr s SER 101 N -0.87 2.43 0.04 8.08 0.01 -1.26 -0.68 113.70 121.44 1wmr s SER 101 Ca -0.10 -0.68 -0.28 0.00 1.31 0.00 0.00 55.95 56.20 1wmr s SER 101 Cb -0.06 -0.13 0.07 0.00 0.21 0.00 0.00 66.02 66.11 1wmr s SER 101 CO -0.00 0.04 0.64 0.72 0.41 0.00 0.00 173.24 175.05 1wmr s PHE 102 N -1.21 -0.61 0.06 2.43 -0.12 -0.83 -4.75 117.98 112.95 1wmr s PHE 102 Ca 0.06 0.79 0.01 0.00 -0.05 0.00 0.00 56.93 57.74 1wmr s PHE 102 Cb -0.10 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1wmr s PHE 102 CO 0.04 -0.71 0.14 -0.51 -0.05 0.00 0.00 175.22 174.13 1wmr s LEU 103 N -1.84 4.07 0.05 -1.99 1.43 -0.68 -1.19 118.68 118.53 1wmr s LEU 103 Ca -0.06 0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 52.96 1wmr s LEU 103 Cb -0.00 -2.66 0.05 0.00 0.03 0.00 0.00 46.19 43.61 1wmr s LEU 103 CO 0.00 0.19 0.52 -0.72 0.23 0.00 0.00 176.35 176.57 1wmr s TYR 104 N -1.41 -0.42 -0.00 0.29 1.13 -0.18 -1.32 117.35 115.45 1wmr s TYR 104 Ca 0.31 0.43 0.00 0.00 -1.41 0.00 0.00 57.07 56.40 1wmr s TYR 104 Cb -0.13 0.34 0.00 0.00 -1.10 0.00 0.00 41.96 41.08 1wmr s TYR 104 CO 0.23 -0.65 0.68 -1.13 -2.51 0.00 0.00 175.55 172.17 1wmr n SER 105 N 0.35 0.69 -3.81 -0.18 3.41 -0.71 -3.97 113.62 109.40 1wmr n SER 105 Ca -0.18 -1.36 -0.11 0.00 -0.26 0.00 0.00 58.87 56.96 1wmr n SER 105 Cb 0.61 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.47 1wmr n SER 105 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1wmr s HIS 106 N -0.35 -0.02 0.32 7.33 5.65 -1.25 -5.01 115.29 121.96 1wmr s HIS 106 Ca 0.00 -0.13 -0.27 0.00 0.25 0.00 0.00 55.06 54.91 1wmr s HIS 106 Cb 0.00 0.02 -0.13 0.00 -1.18 0.00 0.00 32.58 31.29 1wmr s HIS 106 CO 0.00 -0.44 0.97 -0.25 -0.65 0.00 0.00 174.74 174.37 1wmr n ASP 107 N 0.77 1.08 -4.15 9.88 10.43 -1.26 -4.57 116.55 128.74 1wmr n ASP 107 Ca -0.19 1.13 -0.14 0.00 2.57 0.00 0.00 54.79 58.15 1wmr n ASP 107 Cb 0.58 -1.28 -0.11 0.00 1.84 0.00 0.00 41.12 42.15 1wmr n ASP 107 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1wmr s ALA 108 N -1.13 0.98 -0.26 2.24 0.00 0.52 -1.80 121.76 122.30 1wmr s ALA 108 Ca 0.60 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 1wmr s ALA 108 Cb -0.67 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1wmr s ALA 108 CO 0.59 -0.03 0.10 0.99 0.00 0.00 0.00 175.76 177.41 1wmr s THR 109 N -2.14 4.44 -0.36 0.00 2.01 0.12 0.53 115.64 120.24 1wmr s THR 109 Ca 0.01 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 61.67 1wmr s THR 109 Cb -0.05 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 1wmr s THR 109 CO -0.00 0.27 0.32 -0.69 -0.69 0.00 0.00 174.62 173.83 1wmr s VAL 110 N 1.62 5.22 -0.27 3.82 1.01 0.79 -1.12 120.40 131.48 1wmr s VAL 110 Ca 0.06 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 1wmr s VAL 110 Cb -0.16 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1wmr s VAL 110 CO 0.05 -0.12 0.20 -0.75 0.00 0.00 0.00 175.10 174.47 1wmr s LYS 111 N 1.87 3.99 -0.11 2.72 2.20 0.19 -1.08 119.74 129.53 1wmr s LYS 111 Ca 0.09 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.44 1wmr s LYS 111 Cb -0.17 -3.63 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 1wmr s LYS 111 CO 0.11 -0.13 -0.14 0.42 -0.36 0.00 0.00 175.35 175.25 1wmr s ILE 112 N 1.61 2.96 0.03 5.43 1.01 -0.43 -0.61 121.20 131.19 1wmr s ILE 112 Ca 0.08 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1wmr s ILE 112 Cb -0.15 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 1wmr s ILE 112 CO 0.09 0.54 -0.13 -0.44 0.00 0.00 0.00 174.94 175.01 1wmr s SER 113 N 0.10 1.50 0.52 3.58 0.01 0.25 -1.07 113.70 118.58 1wmr s SER 113 Ca -0.06 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 56.82 1wmr s SER 113 Cb -0.15 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1wmr s SER 113 CO 0.05 0.04 0.13 -0.13 0.41 0.00 0.00 173.24 173.74 1wmr s ARG 114 N -0.98 2.21 0.95 12.44 0.52 -1.26 -0.80 118.95 132.04 1wmr s ARG 114 Ca 0.01 -2.26 -0.17 0.00 -0.52 0.00 0.00 55.73 52.80 1wmr s ARG 114 Cb -0.07 -1.73 -0.15 0.00 0.52 0.00 0.00 34.95 33.53 1wmr s ARG 114 CO 0.01 -0.43 -0.81 0.09 0.02 0.00 0.00 175.30 174.19 1wmr n ASN 115 N -1.41 -5.64 0.16 0.23 3.02 -1.26 -4.82 115.26 105.55 1wmr n ASN 115 Ca -0.13 0.16 0.01 0.00 -0.03 0.00 0.00 54.58 54.60 1wmr n ASN 115 Cb 0.66 -0.71 0.28 0.00 -0.61 0.00 0.00 39.78 39.39 1wmr n ASN 115 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1wmr h GLY 116 N -0.95 0.00 1.65 7.41 0.00 -1.99 -2.98 103.07 106.21 1wmr h GLY 116 Ca -0.42 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.70 1wmr h GLY 116 CO 0.22 0.00 -0.92 1.76 0.00 0.00 0.00 176.54 177.60 1wmr h SER 117 N 0.00 0.41 -1.30 0.19 0.02 -2.03 -3.45 113.55 107.40 1wmr h SER 117 Ca -0.00 -0.34 -0.70 0.00 -0.84 0.00 0.00 61.79 59.91 1wmr h SER 117 Cb 0.89 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1wmr h SER 117 CO 0.06 1.14 1.18 -1.20 -1.14 0.00 0.00 176.83 176.87 1wmr n SER 118 N -3.70 2.29 -4.70 3.07 7.64 -1.13 -4.91 113.62 112.17 1wmr n SER 118 Ca -0.05 0.75 -0.30 0.00 1.01 0.00 0.00 58.87 60.27 1wmr n SER 118 Cb 0.83 -1.20 0.14 0.00 -1.01 0.00 0.00 64.21 62.97 1wmr n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wmr s ALA 119 N 5.41 1.57 0.28 -0.43 0.00 -1.26 -4.88 121.76 122.45 1wmr s ALA 119 Ca 1.04 0.18 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 1wmr s ALA 119 Cb -0.97 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 18.78 1wmr s ALA 119 CO 0.57 -2.39 1.20 1.21 0.00 0.00 0.00 175.76 176.35 1wmr s ASN 120 N -3.17 7.04 -0.06 0.00 2.47 -1.26 -5.04 114.94 114.92 1wmr s ASN 120 Ca 0.64 2.42 -0.05 0.00 0.42 0.00 0.00 52.86 56.29 1wmr s ASN 120 Cb -0.19 -2.63 0.02 0.00 -1.45 0.00 0.00 41.25 37.00 1wmr s ASN 120 CO 0.58 -0.34 0.16 -0.55 -3.72 0.00 0.00 177.10 173.22 1wmr s SER 121 N -0.50 -0.16 0.83 -4.21 0.15 -1.26 -5.06 113.70 103.50 1wmr s SER 121 Ca 0.48 0.32 -0.11 0.00 0.70 0.00 0.00 55.95 57.34 1wmr s SER 121 Cb -0.35 0.30 0.09 0.00 -1.71 0.00 0.00 66.02 64.35 1wmr s SER 121 CO 0.44 -0.07 1.10 0.20 1.20 0.00 0.00 173.24 176.11 1wmr s ASN 122 N 0.29 3.94 0.19 5.45 0.01 -1.26 -4.81 114.94 118.76 1wmr s ASN 122 Ca -0.02 1.78 0.08 0.00 -0.71 0.00 0.00 52.86 53.99 1wmr s ASN 122 Cb -0.03 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 1wmr s ASN 122 CO -0.01 -2.39 -0.16 0.68 -1.51 0.00 0.00 177.10 173.71 1wmr s VAL 123 N -2.87 1.78 -0.13 1.60 -7.23 -1.26 -1.77 120.40 110.51 1wmr s VAL 123 Ca 0.63 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1wmr s VAL 123 Cb -0.18 -1.95 0.02 0.00 0.56 0.00 0.00 36.38 34.82 1wmr s VAL 123 CO 0.57 -0.47 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.03 1wmr s VAL 124 N -2.55 1.70 -0.13 1.32 1.01 -0.14 -4.94 120.40 116.66 1wmr s VAL 124 Ca 0.19 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1wmr s VAL 124 Cb -0.03 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1wmr s VAL 124 CO 0.07 0.48 0.38 -0.63 0.00 0.00 0.00 175.10 175.40 1wmr s ILE 125 N 1.13 5.24 -0.05 2.22 -1.09 -1.26 -1.29 121.20 126.09 1wmr s ILE 125 Ca -0.02 0.75 0.04 0.00 -2.23 0.00 0.00 60.65 59.19 1wmr s ILE 125 Cb -0.14 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1wmr s ILE 125 CO -0.05 0.38 -0.17 -0.13 -1.23 0.00 0.00 174.94 173.73 1wmr s ARG 126 N 0.42 1.84 0.41 2.79 0.52 -0.44 -2.62 118.95 121.88 1wmr s ARG 126 Ca 0.21 -0.59 -0.27 0.00 -0.52 0.00 0.00 55.73 54.57 1wmr s ARG 126 Cb -0.14 -1.57 -0.10 0.00 0.52 0.00 0.00 34.95 33.67 1wmr s ARG 126 CO 0.07 0.20 1.46 -1.25 0.02 0.00 0.00 175.30 175.80 1wmr s PRO 127 N 0.16 3.90 0.00 3.54 0.04 -1.26 0.52 135.00 141.91 1wmr s PRO 127 Ca -0.07 2.50 0.18 0.00 0.04 0.00 0.00 61.00 63.65 1wmr s PRO 127 Cb -0.13 -2.82 0.76 0.00 0.04 0.00 0.00 34.50 32.36 1wmr s PRO 127 CO 0.03 -0.67 1.56 0.25 0.04 0.00 0.00 177.00 178.21 1wmr n THR 128 N 0.14 0.77 0.19 1.26 -2.24 -1.08 -2.61 114.28 110.71 1wmr n THR 128 Ca 0.03 0.19 0.04 0.00 -2.27 0.00 0.00 64.05 62.04 1wmr n THR 128 Cb 0.40 -0.89 0.36 0.00 -2.10 0.00 0.00 70.33 68.10 1wmr n THR 128 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1wmr h SER 129 N 0.00 0.00 -0.14 3.42 4.64 -1.98 -3.18 113.55 116.31 1wmr h SER 129 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1wmr h SER 129 Cb 0.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.33 1wmr h SER 129 CO 0.00 0.39 -0.24 -0.07 -0.87 0.00 0.00 176.83 176.04 1wmr h LEU 130 N 0.00 -0.75 -1.33 5.97 3.38 -1.85 -3.46 115.31 117.27 1wmr h LEU 130 Ca -0.00 0.12 -0.37 0.00 0.09 0.00 0.00 57.88 57.72 1wmr h LEU 130 Cb 0.77 0.33 0.14 0.00 0.09 0.00 0.00 40.66 42.00 1wmr h LEU 130 CO 0.05 -0.29 -0.74 -3.20 0.09 0.00 0.00 178.44 174.35 1wmr n ASN 131 N -5.37 -3.71 -4.78 -0.43 4.05 -1.21 -4.96 115.26 98.85 1wmr n ASN 131 Ca -0.03 -0.61 -0.37 0.00 0.45 0.00 0.00 54.58 54.02 1wmr n ASN 131 Cb 0.28 -4.97 -0.03 0.00 1.23 0.00 0.00 39.78 36.29 1wmr n ASN 131 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1wmr s PHE 132 N -3.36 3.20 0.22 1.20 2.99 -1.26 -4.95 117.98 116.01 1wmr s PHE 132 Ca 0.25 1.62 -0.32 0.00 0.00 0.00 0.00 56.93 58.48 1wmr s PHE 132 Cb -0.11 -3.19 -0.12 0.00 0.00 0.00 0.00 43.02 39.60 1wmr s PHE 132 CO 0.74 -0.81 1.69 -2.30 -0.00 0.00 0.00 175.22 174.53 1wmr n PRO 133 N -0.09 2.72 -4.45 0.24 -0.02 -1.25 -4.83 135.00 127.30 1wmr n PRO 133 Ca 0.05 0.98 -0.28 0.00 -2.02 0.00 0.00 63.50 62.23 1wmr n PRO 133 Cb 0.49 -2.80 -0.17 0.00 -0.02 0.00 0.00 33.50 31.00 1wmr n PRO 133 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wmr s VAL 134 N 0.89 1.39 0.03 -1.45 1.01 -1.26 -1.18 120.40 119.84 1wmr s VAL 134 Ca 0.73 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 62.19 1wmr s VAL 134 Cb -0.52 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1wmr s VAL 134 CO 0.36 0.42 -0.19 -0.60 0.00 0.00 0.00 175.10 175.09 1wmr s ARG 135 N 0.97 1.30 -0.02 2.72 3.52 0.45 -4.96 118.95 122.92 1wmr s ARG 135 Ca -0.08 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.72 1wmr s ARG 135 Cb -0.15 -1.36 -0.03 0.00 -1.56 0.00 0.00 34.95 31.85 1wmr s ARG 135 CO -0.01 0.35 -0.10 0.71 -0.81 0.00 0.00 175.30 175.44 1wmr s TYR 136 N -0.73 2.81 0.00 5.12 1.51 -1.26 0.80 117.35 125.59 1wmr s TYR 136 Ca 0.06 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.04 1wmr s TYR 136 Cb -0.08 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.15 1wmr s TYR 136 CO 0.01 0.30 0.00 -3.47 -1.11 0.00 0.00 175.55 171.28 1wmr n ASP 137 N 1.91 0.00 -3.66 2.29 2.03 -0.87 -4.99 116.55 113.26 1wmr n ASP 137 Ca -0.17 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.93 1wmr n ASP 137 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1wmr n ASP 137 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1wmr n ASN 138 N 0.00 -5.36 -1.76 1.67 5.15 -1.26 -1.79 115.26 111.92 1wmr n ASN 138 Ca 0.00 -0.77 -0.12 0.00 -0.60 0.00 0.00 54.58 53.09 1wmr n ASN 138 Cb 0.00 -2.25 -0.03 0.00 -0.53 0.00 0.00 39.78 36.97 1wmr n ASN 138 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wmr n GLN 139 N -2.33 -1.64 -4.08 1.20 3.00 -1.26 -4.93 117.38 107.35 1wmr n GLN 139 Ca -0.26 0.65 -0.09 0.00 -0.01 0.00 0.00 57.00 57.30 1wmr n GLN 139 Cb 0.66 -5.01 -0.09 0.00 0.00 0.00 0.00 30.24 25.80 1wmr n GLN 139 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1wmr s SER 140 N -2.01 0.29 -0.14 1.08 0.01 -0.74 -4.06 113.70 108.13 1wmr s SER 140 Ca 0.00 -1.06 0.01 0.00 1.31 0.00 0.00 55.95 56.22 1wmr s SER 140 Cb 0.00 0.30 -0.00 0.00 0.21 0.00 0.00 66.02 66.53 1wmr s SER 140 CO 0.00 -0.73 -0.18 -0.69 0.41 0.00 0.00 173.24 172.05 1wmr s VAL 141 N -3.99 2.45 -0.29 3.43 1.01 -0.24 -2.04 120.40 120.73 1wmr s VAL 141 Ca 0.17 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1wmr s VAL 141 Cb 0.07 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1wmr s VAL 141 CO -0.02 0.53 0.09 -0.31 0.00 0.00 0.00 175.10 175.39 1wmr s TYR 142 N 0.67 3.15 -0.26 5.22 2.02 0.24 -1.31 117.35 127.07 1wmr s TYR 142 Ca -0.09 -0.86 -0.05 0.00 -0.37 0.00 0.00 57.07 55.71 1wmr s TYR 142 Cb -0.16 -2.27 0.01 0.00 -0.40 0.00 0.00 41.96 39.14 1wmr s TYR 142 CO 0.02 -0.54 0.01 0.42 -1.57 0.00 0.00 175.55 173.89 1wmr s ILE 143 N 1.53 3.53 -0.47 2.71 1.01 -0.24 -0.41 121.20 128.85 1wmr s ILE 143 Ca 0.03 -0.70 -0.26 0.00 0.00 0.00 0.00 60.65 59.72 1wmr s ILE 143 Cb -0.17 -2.75 0.03 0.00 0.01 0.00 0.00 42.46 39.58 1wmr s ILE 143 CO 0.03 0.22 0.95 -0.89 0.00 0.00 0.00 174.94 175.25 1wmr s THR 144 N 1.45 4.43 -0.26 2.92 2.01 -0.32 -0.15 115.64 125.71 1wmr s THR 144 Ca 0.03 0.75 -0.11 0.00 0.31 0.00 0.00 61.69 62.67 1wmr s THR 144 Cb -0.16 -4.47 -0.05 0.00 0.01 0.00 0.00 72.50 67.83 1wmr s THR 144 CO -0.01 -0.89 0.20 -0.69 -0.69 0.00 0.00 174.62 172.55 1wmr s VAL 145 N 3.86 5.31 0.49 3.82 1.01 0.19 -3.97 120.40 131.11 1wmr s VAL 145 Ca 0.38 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.38 1wmr s VAL 145 Cb -0.10 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 1wmr s VAL 145 CO 0.26 0.27 1.02 -2.84 0.00 0.00 0.00 175.10 173.81 1wmr s PRO 146 N 1.55 3.84 0.24 2.72 0.02 -1.26 -0.36 135.00 141.76 1wmr s PRO 146 Ca 0.08 1.24 -0.30 0.00 0.02 0.00 0.00 61.00 62.04 1wmr s PRO 146 Cb -0.15 -2.11 -0.09 0.00 0.02 0.00 0.00 34.50 32.17 1wmr s PRO 146 CO 0.09 -0.38 0.95 -0.47 -0.33 0.00 0.00 177.00 176.85 1wmr s TYR 147 N -2.16 3.97 -0.09 6.54 5.04 -1.26 -4.85 117.35 124.54 1wmr s TYR 147 Ca 0.65 1.91 -0.05 0.00 -2.44 0.00 0.00 57.07 57.14 1wmr s TYR 147 Cb -0.14 -2.99 0.04 0.00 0.35 0.00 0.00 41.96 39.22 1wmr s TYR 147 CO 0.22 0.41 0.20 0.45 -1.34 0.00 0.00 175.55 175.49 1wmr s SER 148 N -1.17 -0.20 0.16 4.32 0.15 -1.26 -4.95 113.70 110.76 1wmr s SER 148 Ca 0.41 0.42 0.09 0.00 0.70 0.00 0.00 55.95 57.57 1wmr s SER 148 Cb -0.26 0.32 0.49 0.00 -1.71 0.00 0.00 66.02 64.86 1wmr s SER 148 CO 0.32 -0.14 1.21 -0.81 1.20 0.00 0.00 173.24 175.02 1wmr n PRO 149 N 4.02 0.06 0.00 5.44 -0.04 -1.26 0.40 135.00 143.62 1wmr n PRO 149 Ca -0.24 0.51 0.07 0.00 -0.04 0.00 0.00 63.50 63.80 1wmr n PRO 149 Cb 0.53 -1.81 -0.08 0.00 -0.04 0.00 0.00 33.50 32.11 1wmr n PRO 149 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wmr n THR 150 N -1.79 0.00 -3.07 0.52 -2.24 -1.26 -4.70 114.28 101.73 1wmr n THR 150 Ca -0.01 -0.17 0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1wmr n THR 150 Cb 0.13 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.35 1wmr n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wmr n GLY 151 N 1.33 -1.69 3.10 3.38 0.00 0.16 -4.82 105.19 106.64 1wmr n GLY 151 Ca 0.03 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 1wmr n GLY 151 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wmr s TYR 152 N -0.67 0.65 -0.20 1.61 1.51 0.01 -4.89 117.35 115.37 1wmr s TYR 152 Ca 0.00 -0.81 -0.05 0.00 -1.01 0.00 0.00 57.07 55.21 1wmr s TYR 152 Cb 0.00 -0.41 0.07 0.00 -0.11 0.00 0.00 41.96 41.51 1wmr s TYR 152 CO 0.00 -0.20 0.10 1.03 -1.11 0.00 0.00 175.55 175.37 1wmr s ARG 153 N -3.00 0.10 0.09 -0.62 0.52 -1.26 -1.51 118.95 113.26 1wmr s ARG 153 Ca 0.02 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 1wmr s ARG 153 Cb 0.00 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.79 1wmr s ARG 153 CO -0.04 -0.76 -0.03 -0.59 0.02 0.00 0.00 175.30 173.90 1wmr s PHE 154 N 2.13 0.76 -0.13 -0.53 -0.12 -1.10 -4.67 117.98 114.33 1wmr s PHE 154 Ca 0.04 -1.03 -0.05 0.00 -0.05 0.00 0.00 56.93 55.84 1wmr s PHE 154 Cb -0.16 -0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 41.72 1wmr s PHE 154 CO -0.16 -0.30 0.04 0.45 -0.05 0.00 0.00 175.22 175.20 1wmr s SER 155 N -3.00 5.50 -0.27 1.98 0.15 0.19 -1.25 113.70 116.99 1wmr s SER 155 Ca 0.13 0.14 -0.08 0.00 0.70 0.00 0.00 55.95 56.83 1wmr s SER 155 Cb 0.07 -1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 62.58 1wmr s SER 155 CO -0.05 0.29 0.10 -0.69 1.20 0.00 0.00 173.24 174.09 1wmr s VAL 156 N -0.33 4.46 -0.22 4.45 1.01 0.09 -1.32 120.40 128.54 1wmr s VAL 156 Ca 0.08 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1wmr s VAL 156 Cb -0.12 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.15 1wmr s VAL 156 CO 0.02 0.26 -0.15 -1.61 0.00 0.00 0.00 175.10 173.61 1wmr s GLU 157 N 1.62 2.62 -0.16 2.72 2.02 -0.41 -3.92 118.70 123.20 1wmr s GLU 157 Ca 0.06 -1.09 -0.29 0.00 0.02 0.00 0.00 54.97 53.67 1wmr s GLU 157 Cb -0.16 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 1wmr s GLU 157 CO 0.05 -0.39 1.07 -0.06 0.02 0.00 0.00 175.26 175.95 1wmr s PHE 158 N 1.20 3.34 0.33 1.61 0.40 -1.26 -0.97 117.98 122.63 1wmr s PHE 158 Ca -0.02 1.45 0.12 0.00 -0.60 0.00 0.00 56.93 57.87 1wmr s PHE 158 Cb -0.16 -3.28 0.97 0.00 0.51 0.00 0.00 43.02 41.06 1wmr s PHE 158 CO -0.09 -0.58 1.70 -0.44 0.70 0.00 0.00 175.22 176.50 1wmr h ASP 159 N 7.39 0.59 -0.03 1.36 3.45 -1.66 0.24 116.42 127.75 1wmr h ASP 159 Ca -0.26 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.36 1wmr h ASP 159 Cb 1.11 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 1wmr h ASP 159 CO 0.92 -0.01 0.00 -0.90 -1.57 0.00 0.00 179.24 177.68 1wmr n ASP 160 N -4.97 0.26 -0.39 6.45 3.85 -1.26 -2.90 116.55 117.59 1wmr n ASP 160 Ca 0.29 -1.57 0.04 0.00 -0.71 0.00 0.00 54.79 52.84 1wmr n ASP 160 Cb 0.85 -0.02 0.06 0.00 -1.35 0.00 0.00 41.12 40.66 1wmr n ASP 160 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1wmr n ASP 161 N -0.56 2.05 -4.75 -1.12 2.03 0.83 -5.01 116.55 110.01 1wmr n ASP 161 Ca 0.12 -1.58 -0.40 0.00 0.52 0.00 0.00 54.79 53.44 1wmr n ASP 161 Cb 0.09 -0.06 -0.05 0.00 -0.72 0.00 0.00 41.12 40.38 1wmr n ASP 161 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wmr s LEU 162 N -0.80 4.58 0.17 -2.67 1.43 -1.14 -0.54 118.68 119.70 1wmr s LEU 162 Ca 0.12 2.13 0.03 0.00 -1.03 0.00 0.00 54.13 55.39 1wmr s LEU 162 Cb 0.08 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 1wmr s LEU 162 CO 0.11 -0.04 -0.05 0.27 0.23 0.00 0.00 176.35 176.87 1wmr s ILE 163 N -1.09 0.98 -0.18 -0.59 -4.36 0.10 -4.89 121.20 111.16 1wmr s ILE 163 Ca 0.44 -2.02 -0.14 0.00 -0.26 0.00 0.00 60.65 58.67 1wmr s ILE 163 Cb -0.29 -2.02 -0.05 0.00 1.25 0.00 0.00 42.46 41.35 1wmr s ILE 163 CO 0.37 -0.59 0.29 -0.44 0.24 0.00 0.00 174.94 174.81 1wmr s SER 164 N -3.19 6.38 -0.43 4.36 0.01 -1.26 -2.11 113.70 117.46 1wmr s SER 164 Ca 0.21 0.44 -0.17 0.00 1.31 0.00 0.00 55.95 57.74 1wmr s SER 164 Cb 0.04 -2.18 0.03 0.00 0.21 0.00 0.00 66.02 64.12 1wmr s SER 164 CO 0.03 0.06 0.44 -0.76 0.41 0.00 0.00 173.24 173.41 1wmr s LEU 165 N 0.73 4.95 0.43 2.44 1.43 -0.45 -4.89 118.68 123.32 1wmr s LEU 165 Ca 0.15 -0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 52.28 1wmr s LEU 165 Cb -0.13 -2.36 -0.11 0.00 0.03 0.00 0.00 46.19 43.62 1wmr s LEU 165 CO 0.04 -0.60 0.96 0.00 0.23 0.00 0.00 176.35 176.99 1wmr s ALA 166 N 2.10 3.02 -2.24 4.21 0.00 -1.26 0.22 121.76 127.81 1wmr s ALA 166 Ca 0.11 0.44 0.28 0.00 0.00 0.00 0.00 51.96 52.79 1wmr s ALA 166 Cb -0.18 -3.17 1.02 0.00 0.00 0.00 0.00 23.12 20.79 1wmr s ALA 166 CO 0.13 0.06 1.72 -0.35 0.00 0.00 0.00 175.76 177.32 1wmr n PRO 167 N -0.65 1.37 0.05 0.00 -0.04 -1.26 -4.81 135.00 129.66 1wmr n PRO 167 Ca 0.07 -0.76 -0.08 0.00 -0.04 0.00 0.00 63.50 62.69 1wmr n PRO 167 Cb 0.54 -1.48 0.08 0.00 -0.04 0.00 0.00 33.50 32.59 1wmr n PRO 167 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wmr h SER 168 N 1.86 0.44 0.00 3.54 4.64 -1.61 -3.47 113.55 118.94 1wmr h SER 168 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1wmr h SER 168 Cb 0.47 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1wmr h SER 168 CO 0.00 0.94 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 1wmr n GLY 169 N 0.32 0.57 3.66 -0.77 0.00 0.61 -4.43 105.19 105.15 1wmr n GLY 169 Ca -0.03 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 1wmr n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmr n ALA 170 N 0.51 0.81 -2.58 4.61 0.00 -1.17 -4.31 120.51 118.37 1wmr n ALA 170 Ca 0.00 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 1wmr n ALA 170 Cb 0.00 -2.21 -0.07 0.00 0.00 0.00 0.00 19.45 17.17 1wmr n ALA 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1wmr s ARG 171 N -0.88 3.76 0.13 0.00 6.06 -1.26 -1.35 118.95 125.41 1wmr s ARG 171 Ca 0.65 0.10 -0.08 0.00 -2.50 0.00 0.00 55.73 53.90 1wmr s ARG 171 Cb -0.66 -3.77 -0.01 0.00 0.06 0.00 0.00 34.95 30.57 1wmr s ARG 171 CO 0.54 -0.64 0.23 -0.65 -2.50 0.00 0.00 175.30 172.28 1wmr s GLN 172 N 2.59 1.01 0.37 5.12 -0.21 -0.90 -4.94 119.66 122.70 1wmr s GLN 172 Ca 0.23 -1.10 -0.28 0.00 0.02 0.00 0.00 55.36 54.23 1wmr s GLN 172 Cb -0.15 0.35 -0.11 0.00 1.00 0.00 0.00 33.01 34.11 1wmr s GLN 172 CO 0.13 -0.34 1.43 -2.14 -2.12 0.00 0.00 175.29 172.25 1wmr s PRO 173 N -3.93 4.17 0.02 2.91 0.02 -1.26 -0.72 135.00 136.20 1wmr s PRO 173 Ca 0.12 2.46 -0.03 0.00 0.02 0.00 0.00 61.00 63.58 1wmr s PRO 173 Cb 0.04 -2.99 -0.28 0.00 0.02 0.00 0.00 34.50 31.30 1wmr s PRO 173 CO -0.05 -0.44 0.91 1.49 -0.33 0.00 0.00 177.00 178.58 1wmr h GLU 174 N 3.09 0.24 -3.30 5.54 4.81 -1.16 -3.40 114.58 120.40 1wmr h GLU 174 Ca -0.50 -0.41 -0.63 0.00 -0.13 0.00 0.00 59.36 57.68 1wmr h GLU 174 Cb 1.24 0.15 -0.41 0.00 0.63 0.00 0.00 28.75 30.36 1wmr h GLU 174 CO 0.64 1.12 -0.65 -0.80 -0.73 0.00 0.00 179.01 178.59 1wmr s ASN 175 N -6.98 4.18 0.60 1.04 0.01 -1.26 -0.68 114.94 111.84 1wmr s ASN 175 Ca -0.08 -2.95 -0.17 0.00 -0.71 0.00 0.00 52.86 48.96 1wmr s ASN 175 Cb 0.07 -1.52 -0.03 0.00 0.41 0.00 0.00 41.25 40.18 1wmr s ASN 175 CO 0.86 -0.24 1.11 0.00 -1.51 0.00 0.00 177.10 177.32 1wmr s ALA 176 N -0.17 2.61 -0.15 0.60 0.00 -0.11 -4.88 121.76 119.65 1wmr s ALA 176 Ca 0.17 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 52.73 1wmr s ALA 176 Cb -0.25 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.60 1wmr s ALA 176 CO -0.00 -0.99 0.04 -1.17 0.00 0.00 0.00 175.76 173.65 1wmr s LEU 177 N -4.37 0.76 -0.10 0.00 2.96 -1.25 0.02 118.68 116.70 1wmr s LEU 177 Ca 0.69 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1wmr s LEU 177 Cb -0.21 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 1wmr s LEU 177 CO 0.35 -0.29 0.06 -0.76 -1.32 0.00 0.00 176.35 174.39 1wmr s LEU 178 N 1.98 3.92 -0.23 -0.68 1.02 0.01 -0.73 118.68 123.96 1wmr s LEU 178 Ca 0.02 0.28 0.01 0.00 0.02 0.00 0.00 54.13 54.45 1wmr s LEU 178 Cb -0.15 -1.93 0.03 0.00 0.02 0.00 0.00 46.19 44.17 1wmr s LEU 178 CO -0.07 0.39 -0.12 -0.63 0.02 0.00 0.00 176.35 175.94 1wmr s ILE 179 N -0.92 2.41 -0.57 -0.59 -1.09 -0.38 -1.57 121.20 118.49 1wmr s ILE 179 Ca 0.14 -1.19 -0.08 0.00 -2.23 0.00 0.00 60.65 57.28 1wmr s ILE 179 Cb -0.12 -2.23 0.15 0.00 -1.58 0.00 0.00 42.46 38.68 1wmr s ILE 179 CO 0.03 0.23 0.44 -0.36 -1.23 0.00 0.00 174.94 174.04 1wmr s PHE 180 N 1.24 3.49 -0.37 3.97 0.08 0.14 -2.69 117.98 123.84 1wmr s PHE 180 Ca -0.01 -2.14 -0.17 0.00 0.12 0.00 0.00 56.93 54.73 1wmr s PHE 180 Cb -0.17 -3.46 -0.00 0.00 -0.57 0.00 0.00 43.02 38.82 1wmr s PHE 180 CO -0.07 -0.95 0.43 0.00 -0.10 0.00 0.00 175.22 174.52 1wmr s ALA 181 N 0.77 3.47 0.29 5.36 0.00 -0.57 -1.97 121.76 129.11 1wmr s ALA 181 Ca 0.11 -1.23 0.11 0.00 0.00 0.00 0.00 51.96 50.95 1wmr s ALA 181 Cb -0.22 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 1wmr s ALA 181 CO -0.03 -1.26 -0.17 -1.12 0.00 0.00 0.00 175.76 173.18 1wmr s SER 182 N 1.77 3.68 0.68 0.00 0.01 -0.34 -0.81 113.70 118.69 1wmr s SER 182 Ca 0.14 -1.02 -0.11 0.00 1.31 0.00 0.00 55.95 56.26 1wmr s SER 182 Cb -0.16 -0.35 -0.00 0.00 0.21 0.00 0.00 66.02 65.72 1wmr s SER 182 CO 0.13 0.00 1.06 -2.16 0.41 0.00 0.00 173.24 172.68 1wmr s PRO 183 N -3.54 3.06 0.94 12.44 0.04 -1.26 -1.01 135.00 145.67 1wmr s PRO 183 Ca 0.30 0.78 -0.10 0.00 0.04 0.00 0.00 61.00 62.02 1wmr s PRO 183 Cb -0.04 -2.02 0.16 0.00 0.04 0.00 0.00 34.50 32.64 1wmr s PRO 183 CO 0.16 -0.97 1.13 -0.06 0.04 0.00 0.00 177.00 177.30 1wmr s PHE 184 N -3.15 1.65 -0.22 0.56 2.99 -1.25 -4.74 117.98 113.82 1wmr s PHE 184 Ca 0.57 1.71 -0.18 0.00 0.00 0.00 0.00 56.93 59.03 1wmr s PHE 184 Cb -0.13 -3.29 -0.03 0.00 0.00 0.00 0.00 43.02 39.57 1wmr s PHE 184 CO 0.54 -2.87 0.50 -1.21 -0.00 0.00 0.00 175.22 172.17 1wmr s GLU 185 N -4.65 4.14 0.90 0.44 2.02 -1.26 -5.07 118.70 115.22 1wmr s GLU 185 Ca 0.67 0.34 -0.11 0.00 0.02 0.00 0.00 54.97 55.88 1wmr s GLU 185 Cb -0.23 -3.59 0.19 0.00 0.10 0.00 0.00 34.13 30.60 1wmr s GLU 185 CO 0.59 -0.21 1.24 0.54 0.02 0.00 0.00 175.26 177.43 1wmr s ASN 186 N 1.29 3.39 0.00 -0.19 2.20 -1.26 -4.75 114.94 115.62 1wmr s ASN 186 Ca 0.22 0.02 0.06 0.00 -0.94 0.00 0.00 52.86 52.22 1wmr s ASN 186 Cb -0.15 -0.13 0.31 0.00 -2.00 0.00 0.00 41.25 39.28 1wmr s ASN 186 CO 0.09 -2.53 0.94 -1.54 -2.94 0.00 0.00 177.10 171.12 1wmr n SER 187 N -3.51 0.00 -0.00 3.54 3.41 -1.26 -1.82 113.62 113.98 1wmr n SER 187 Ca 0.16 0.04 0.01 0.00 -0.26 0.00 0.00 58.87 58.82 1wmr n SER 187 Cb 0.60 -0.17 -0.11 0.00 -0.26 0.00 0.00 64.21 64.27 1wmr n SER 187 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wmr n SER 188 N -1.17 0.51 -0.41 4.04 7.64 -1.26 -4.30 113.62 118.67 1wmr n SER 188 Ca 0.03 0.22 0.05 0.00 1.01 0.00 0.00 58.87 60.19 1wmr n SER 188 Cb 0.03 0.72 0.04 0.00 -1.01 0.00 0.00 64.21 64.00 1wmr n SER 188 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wmr n THR 189 N -2.72 0.00 -3.96 0.44 -2.24 -0.81 -4.95 114.28 100.04 1wmr n THR 189 Ca -0.13 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 60.98 1wmr n THR 189 Cb 0.84 1.21 -0.16 0.00 -2.10 0.00 0.00 70.33 70.11 1wmr n THR 189 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wmr s LYS 190 N -0.97 0.48 0.48 -0.78 2.20 -0.75 -3.69 119.74 116.70 1wmr s LYS 190 Ca 0.12 0.04 -0.19 0.00 -0.36 0.00 0.00 55.97 55.58 1wmr s LYS 190 Cb 0.09 -0.65 -0.09 0.00 -1.51 0.00 0.00 37.83 35.67 1wmr s LYS 190 CO 0.15 -0.15 0.99 -2.14 -0.36 0.00 0.00 175.35 173.84 1wmr s PRO 191 N 1.18 3.95 0.52 4.03 0.02 -1.26 -4.51 135.00 138.93 1wmr s PRO 191 Ca -0.07 1.15 -0.17 0.00 0.02 0.00 0.00 61.00 61.93 1wmr s PRO 191 Cb -0.13 -2.13 -0.08 0.00 0.02 0.00 0.00 34.50 32.18 1wmr s PRO 191 CO -0.02 -0.28 0.99 -1.14 -0.33 0.00 0.00 177.00 176.23 1wmr s GLN 192 N -3.50 3.89 0.00 5.54 -0.44 -1.26 -4.89 119.66 119.01 1wmr s GLN 192 Ca 0.63 1.01 0.13 0.00 -2.50 0.00 0.00 55.36 54.62 1wmr s GLN 192 Cb -0.12 -2.13 0.77 0.00 -1.64 0.00 0.00 33.01 29.90 1wmr s GLN 192 CO 0.22 -0.32 1.20 -0.35 0.50 0.00 0.00 175.29 176.53 1wmr n PRO 193 N -1.55 0.42 -2.90 1.67 -0.04 -1.26 -2.55 135.00 128.79 1wmr n PRO 193 Ca 0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.39 1wmr n PRO 193 Cb 0.54 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1wmr n PRO 193 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wmr n GLY 194 N -0.16 2.75 3.95 0.55 0.00 -1.26 -5.11 105.19 105.91 1wmr n GLY 194 Ca 0.10 -1.57 -0.23 0.00 0.00 0.00 0.00 46.02 44.31 1wmr n GLY 194 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wmr s SER 195 N -2.84 5.53 0.07 1.61 1.04 -1.06 -5.04 113.70 113.01 1wmr s SER 195 Ca 0.34 0.27 -0.31 0.00 0.48 0.00 0.00 55.95 56.73 1wmr s SER 195 Cb 0.40 -1.31 -0.07 0.00 0.10 0.00 0.00 66.02 65.14 1wmr s SER 195 CO -0.03 -0.98 1.44 -2.16 0.98 0.00 0.00 173.24 172.49 1wmr s PRO 196 N -4.75 4.29 -1.04 4.02 0.04 -1.26 -4.16 135.00 132.14 1wmr s PRO 196 Ca 0.53 2.09 -0.16 0.00 0.04 0.00 0.00 61.00 63.50 1wmr s PRO 196 Cb -0.10 -3.40 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 1wmr s PRO 196 CO 0.40 -0.53 0.74 -1.71 0.04 0.00 0.00 177.00 175.94 1wmr n ASN 197 N 4.63 -5.52 -4.50 6.66 5.15 -1.26 -4.65 115.26 115.77 1wmr n ASN 197 Ca 0.13 -0.90 -0.24 0.00 -0.60 0.00 0.00 54.58 52.96 1wmr n ASN 197 Cb 0.42 -3.24 -0.10 0.00 -0.53 0.00 0.00 39.78 36.33 1wmr n ASN 197 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1wmr s SER 198 N -3.32 3.53 -0.03 1.20 1.04 -1.26 -0.47 113.70 114.39 1wmr s SER 198 Ca 0.34 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.65 1wmr s SER 198 Cb -0.13 -0.30 0.02 0.00 0.10 0.00 0.00 66.02 65.71 1wmr s SER 198 CO 0.86 -0.13 -0.04 -0.51 0.98 0.00 0.00 173.24 174.41 1wmr s ILE 199 N -2.63 0.43 -0.62 -1.02 2.07 -0.76 -4.97 121.20 113.70 1wmr s ILE 199 Ca 0.31 -0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.45 1wmr s ILE 199 Cb -0.00 -0.45 0.16 0.00 0.13 0.00 0.00 42.46 42.29 1wmr s ILE 199 CO 0.15 0.18 0.42 0.00 -1.91 0.00 0.00 174.94 173.78 1wmr s ALA 200 N 0.72 3.57 0.46 1.50 0.00 -1.26 -1.13 121.76 125.62 1wmr s ALA 200 Ca -0.09 -3.35 -0.24 0.00 0.00 0.00 0.00 51.96 48.28 1wmr s ALA 200 Cb -0.12 -2.51 -0.08 0.00 0.00 0.00 0.00 23.12 20.41 1wmr s ALA 200 CO -0.00 -2.09 1.28 -0.35 0.00 0.00 0.00 175.76 174.60 1wmr n PRO 201 N 3.19 1.84 -1.60 0.00 -0.04 -1.25 -4.99 135.00 132.15 1wmr n PRO 201 Ca 0.09 0.66 -0.30 0.00 -0.04 0.00 0.00 63.50 63.90 1wmr n PRO 201 Cb 0.36 -2.43 0.07 0.00 -0.04 0.00 0.00 33.50 31.45 1wmr n PRO 201 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wmr s ALA 202 N -1.24 2.52 1.00 0.55 0.00 -1.26 -4.77 121.76 118.56 1wmr s ALA 202 Ca 0.64 -0.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1wmr s ALA 202 Cb -0.48 -3.13 0.19 0.00 0.00 0.00 0.00 23.12 19.71 1wmr s ALA 202 CO 0.55 -1.42 1.11 -2.14 0.00 0.00 0.00 175.76 173.87 1wmr s PRO 203 N -5.13 0.37 0.00 0.00 0.02 -1.26 -4.78 135.00 124.22 1wmr s PRO 203 Ca 0.59 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.98 1wmr s PRO 203 Cb -0.14 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.72 1wmr s PRO 203 CO 0.54 -3.01 0.00 0.41 -0.33 0.00 0.00 177.00 174.61 1wmr n GLY 204 N 0.47 0.29 3.74 0.52 0.00 -0.74 -4.94 105.19 104.53 1wmr n GLY 204 Ca 0.09 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 1wmr n GLY 204 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wmr s ARG 205 N 0.00 4.36 -0.34 1.61 6.06 -1.26 -1.62 118.95 127.77 1wmr s ARG 205 Ca 0.00 2.12 -0.08 0.00 -2.50 0.00 0.00 55.73 55.28 1wmr s ARG 205 Cb 0.00 -3.17 0.03 0.00 0.06 0.00 0.00 34.95 31.87 1wmr s ARG 205 CO 0.00 -0.28 0.13 0.08 -2.50 0.00 0.00 175.30 172.72 1wmr s VAL 206 N -0.01 4.05 0.24 7.11 1.01 -1.01 -4.90 120.40 126.89 1wmr s VAL 206 Ca 0.57 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.71 1wmr s VAL 206 Cb -0.38 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1wmr s VAL 206 CO 0.40 -0.13 -0.20 -0.76 0.00 0.00 0.00 175.10 174.42 1wmr s LEU 207 N 1.47 2.54 0.00 3.92 1.43 -1.26 -4.81 118.68 121.97 1wmr s LEU 207 Ca 0.00 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 1wmr s LEU 207 Cb -0.19 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.02 1wmr s LEU 207 CO 0.04 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1wmr n GLY 208 N -0.32 2.45 0.33 -3.19 0.00 -1.26 -4.91 105.19 98.28 1wmr n GLY 208 Ca -0.08 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.14 1wmr n GLY 208 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wmr h LEU 209 N 0.00 0.00 -0.01 0.99 3.38 -1.87 -0.63 115.31 117.17 1wmr h LEU 209 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wmr h LEU 209 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wmr h LEU 209 CO 0.00 0.00 -0.08 -0.46 0.09 0.00 0.00 178.44 177.99 1wmr n ASN 210 N -3.35 0.10 0.00 -0.43 6.94 -0.84 -1.82 115.26 115.86 1wmr n ASN 210 Ca -0.03 0.26 0.00 0.00 -0.02 0.00 0.00 54.58 54.79 1wmr n ASN 210 Cb 0.08 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 1wmr n ASN 210 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1wmr n THR 211 N -1.44 0.00 -0.63 5.53 -2.24 -0.44 -3.95 114.28 111.10 1wmr n THR 211 Ca 0.08 -0.28 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 1wmr n THR 211 Cb 0.32 1.36 0.19 0.00 -2.10 0.00 0.00 70.33 70.10 1wmr n THR 211 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1wmr n THR 212 N -0.11 0.00 0.14 4.28 5.66 -0.37 -4.94 114.28 118.93 1wmr n THR 212 Ca 0.00 -0.14 0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1wmr n THR 212 Cb 0.09 -0.95 0.13 0.00 -1.55 0.00 0.00 70.33 68.05 1wmr n THR 212 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wmr n SER 213 N -4.06 2.73 -4.73 1.09 3.41 -1.26 -4.74 113.62 106.06 1wmr n SER 213 Ca 0.09 -1.82 -0.31 0.00 -0.26 0.00 0.00 58.87 56.57 1wmr n SER 213 Cb 0.53 -0.16 0.12 0.00 -0.26 0.00 0.00 64.21 64.44 1wmr n SER 213 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wmr s ALA 214 N -1.08 1.91 -0.17 7.33 0.00 -1.26 -4.89 121.76 123.59 1wmr s ALA 214 Ca 0.24 0.36 0.11 0.00 0.00 0.00 0.00 51.96 52.66 1wmr s ALA 214 Cb 0.14 -3.33 -0.18 0.00 0.00 0.00 0.00 23.12 19.74 1wmr s ALA 214 CO 0.19 -2.17 -0.01 0.43 0.00 0.00 0.00 175.76 174.20 1wmr n SER 215 N -3.81 1.39 -4.03 0.00 7.64 0.38 -2.88 113.62 112.30 1wmr n SER 215 Ca 0.10 -0.03 -0.26 0.00 1.01 0.00 0.00 58.87 59.68 1wmr n SER 215 Cb 0.53 0.57 -0.17 0.00 -1.01 0.00 0.00 64.21 64.13 1wmr n SER 215 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wmr s THR 216 N -2.40 1.29 -0.26 0.44 2.01 -1.16 -0.63 115.64 114.94 1wmr s THR 216 Ca -0.13 -0.54 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 1wmr s THR 216 Cb 0.05 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 1wmr s THR 216 CO 0.61 0.40 0.14 -0.69 -0.69 0.00 0.00 174.62 174.39 1wmr s VAL 217 N 0.85 4.95 -0.18 3.82 1.01 0.14 -1.82 120.40 129.16 1wmr s VAL 217 Ca -0.10 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1wmr s VAL 217 Cb -0.15 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1wmr s VAL 217 CO 0.01 0.30 -0.05 -0.69 0.00 0.00 0.00 175.10 174.68 1wmr s VAL 218 N 1.57 3.60 -0.41 2.92 1.01 -0.28 -0.39 120.40 128.41 1wmr s VAL 218 Ca 0.07 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 1wmr s VAL 218 Cb -0.15 -2.60 0.09 0.00 0.00 0.00 0.00 36.38 33.72 1wmr s VAL 218 CO 0.07 0.46 0.23 -0.36 0.00 0.00 0.00 175.10 175.50 1wmr s PHE 219 N 0.87 3.41 0.75 5.22 0.08 -0.06 -3.76 117.98 124.50 1wmr s PHE 219 Ca -0.01 -1.85 -0.09 0.00 0.12 0.00 0.00 56.93 55.10 1wmr s PHE 219 Cb -0.15 -3.00 0.07 0.00 -0.57 0.00 0.00 43.02 39.37 1wmr s PHE 219 CO 0.01 -0.90 1.09 -0.80 -0.10 0.00 0.00 175.22 174.53 1wmr s ASN 220 N 2.01 4.66 0.15 1.36 0.01 -1.26 -1.33 114.94 120.54 1wmr s ASN 220 Ca 0.04 0.60 -0.33 0.00 -0.71 0.00 0.00 52.86 52.46 1wmr s ASN 220 Cb -0.23 -1.17 -0.17 0.00 0.41 0.00 0.00 41.25 40.09 1wmr s ASN 220 CO -0.00 -1.75 1.03 -2.65 -1.51 0.00 0.00 177.10 172.22 1wmr n PRO 221 N -3.11 0.74 0.00 -0.60 -0.02 -1.26 -4.47 135.00 126.28 1wmr n PRO 221 Ca 0.08 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1wmr n PRO 221 Cb 0.61 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1wmr n PRO 221 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wmr n GLY 222 N 1.89 0.67 3.46 -1.23 0.00 -0.74 -4.88 105.19 104.35 1wmr n GLY 222 Ca 0.16 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1wmr n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wmr s VAL 223 N -1.24 3.39 0.16 1.61 1.01 -1.26 -1.50 120.40 122.57 1wmr s VAL 223 Ca 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1wmr s VAL 223 Cb 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1wmr s VAL 223 CO 0.00 0.54 -0.13 -0.31 0.00 0.00 0.00 175.10 175.20 1wmr s TYR 224 N 0.01 1.45 -0.25 5.22 1.51 0.25 -1.78 117.35 123.76 1wmr s TYR 224 Ca -0.02 -0.64 -0.26 0.00 -1.01 0.00 0.00 57.07 55.14 1wmr s TYR 224 Cb -0.14 -0.72 0.09 0.00 -0.11 0.00 0.00 41.96 41.08 1wmr s TYR 224 CO 0.04 0.19 0.82 1.52 -1.11 0.00 0.00 175.55 177.00 1wmr s TYR 225 N -2.87 -0.67 0.37 2.71 -0.85 -0.64 -1.03 117.35 114.37 1wmr s TYR 225 Ca 0.16 1.59 0.07 0.00 -0.52 0.00 0.00 57.07 58.37 1wmr s TYR 225 Cb -0.01 0.32 -0.01 0.00 0.38 0.00 0.00 41.96 42.64 1wmr s TYR 225 CO 0.03 -0.35 0.43 -0.06 -1.52 0.00 0.00 175.55 174.07 1wmr s PHE 226 N 0.14 2.89 0.00 -3.49 0.40 -0.41 -2.40 117.98 115.12 1wmr s PHE 226 Ca -0.00 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1wmr s PHE 226 Cb -0.04 -2.08 0.00 0.00 0.51 0.00 0.00 43.02 41.41 1wmr s PHE 226 CO -0.00 -0.08 0.00 0.25 0.70 0.00 0.00 175.22 176.08 1wmr n THR 227 N -1.60 0.00 1.29 0.64 -2.24 -1.26 -4.74 114.28 106.38 1wmr n THR 227 Ca 0.02 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 1wmr n THR 227 Cb 0.60 -1.63 0.60 0.00 -2.10 0.00 0.00 70.33 67.79 1wmr n THR 227 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wmr n GLY 228 N 5.00 -1.14 1.09 3.38 0.00 -1.26 -3.59 105.19 108.68 1wmr n GLY 228 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1wmr n GLY 228 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wmr n HIS 229 N -1.17 0.95 -3.65 1.61 -0.00 -1.26 -4.70 115.22 107.00 1wmr n HIS 229 Ca 0.12 -1.73 -0.05 0.00 -0.00 0.00 0.00 57.72 56.06 1wmr n HIS 229 Cb 0.29 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.99 29.90 1wmr n HIS 229 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1wmr s ASP 230 N -3.11 -0.24 0.26 4.39 2.15 -1.24 -4.91 116.67 113.98 1wmr s ASP 230 Ca 0.43 -0.24 -0.12 0.00 0.43 0.00 0.00 52.55 53.05 1wmr s ASP 230 Cb 0.39 0.43 -0.00 0.00 -0.30 0.00 0.00 42.92 43.44 1wmr s ASP 230 CO -0.03 -0.76 0.49 -1.38 -0.17 0.00 0.00 175.17 173.33 1wmr s HIS 231 N -3.17 0.40 -1.24 -5.34 -3.43 -1.26 -4.24 115.29 97.01 1wmr s HIS 231 Ca 0.10 -0.76 -0.19 0.00 -0.80 0.00 0.00 55.06 53.40 1wmr s HIS 231 Cb -0.01 0.20 -0.00 0.00 -1.43 0.00 0.00 32.58 31.34 1wmr s HIS 231 CO -0.02 -1.03 1.87 -0.12 -2.00 0.00 0.00 174.74 173.44 1wmr n MET 232 N -0.40 2.53 -2.72 -0.38 1.56 0.14 -4.94 117.12 112.91 1wmr n MET 232 Ca -0.02 -2.85 -0.42 0.00 -0.27 0.00 0.00 57.70 54.15 1wmr n MET 232 Cb 0.62 -3.51 -0.03 0.00 2.15 0.00 0.00 33.22 32.45 1wmr n MET 232 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1wmr s VAL 233 N 6.32 4.82 -0.15 1.12 1.01 -1.26 -1.19 120.40 131.08 1wmr s VAL 233 Ca 0.58 2.00 -0.05 0.00 0.00 0.00 0.00 61.98 64.51 1wmr s VAL 233 Cb 0.04 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1wmr s VAL 233 CO 0.08 0.06 0.02 -0.76 0.00 0.00 0.00 175.10 174.51 1wmr s LEU 234 N 1.69 3.64 0.83 3.92 1.43 0.51 -1.99 118.68 128.73 1wmr s LEU 234 Ca 0.48 0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 1wmr s LEU 234 Cb -0.19 -1.88 0.10 0.00 0.03 0.00 0.00 46.19 44.25 1wmr s LEU 234 CO 0.20 0.24 1.17 -0.94 0.23 0.00 0.00 176.35 177.25 1wmr s SER 235 N -0.06 3.52 0.45 2.29 1.04 -0.75 -1.43 113.70 118.76 1wmr s SER 235 Ca 0.05 2.23 0.21 0.00 0.48 0.00 0.00 55.95 58.91 1wmr s SER 235 Cb -0.12 -2.57 1.15 0.00 0.10 0.00 0.00 66.02 64.58 1wmr s SER 235 CO 0.02 -2.71 1.60 0.77 0.98 0.00 0.00 173.24 173.90 1wmr h SER 236 N -1.23 0.00 1.06 7.02 4.64 -1.87 -0.98 113.55 122.19 1wmr h SER 236 Ca -0.45 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 1wmr h SER 236 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1wmr h SER 236 CO 0.45 0.00 -0.97 0.77 -0.87 0.00 0.00 176.83 176.21 1wmr h SER 237 N 0.00 0.00 -2.99 4.97 4.64 -1.85 -3.38 113.55 114.95 1wmr h SER 237 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1wmr h SER 237 Cb 0.51 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 1wmr h SER 237 CO 0.00 0.16 0.92 -0.69 -0.87 0.00 0.00 176.83 176.35 1wmr s VAL 238 N -3.22 4.26 -0.05 0.95 1.01 -0.37 -4.30 120.40 118.68 1wmr s VAL 238 Ca -0.00 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1wmr s VAL 238 Cb 0.09 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1wmr s VAL 238 CO 0.78 -0.24 0.66 0.35 0.00 0.00 0.00 175.10 176.65 1wmr n THR 239 N 5.62 0.29 -3.70 3.92 -2.24 0.20 -4.54 114.28 113.83 1wmr n THR 239 Ca 0.14 -0.64 -0.12 0.00 -2.27 0.00 0.00 64.05 61.16 1wmr n THR 239 Cb 0.45 0.86 -0.12 0.00 -2.10 0.00 0.00 70.33 69.42 1wmr n THR 239 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1wmr s TRP 240 N -0.31 -0.44 -0.14 4.78 -0.11 -0.92 -0.44 118.94 121.35 1wmr s TRP 240 Ca 0.01 0.98 0.01 0.00 1.22 0.00 0.00 56.10 58.32 1wmr s TRP 240 Cb 0.00 0.10 0.02 0.00 -1.50 0.00 0.00 33.47 32.09 1wmr s TRP 240 CO 0.01 -0.30 -0.17 0.08 -4.62 0.00 0.00 176.95 171.95 1wmr s VAL 241 N 1.61 1.73 -0.17 5.86 1.01 0.08 0.24 120.40 130.77 1wmr s VAL 241 Ca -0.07 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1wmr s VAL 241 Cb -0.10 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1wmr s VAL 241 CO -0.10 0.49 -0.08 -0.47 0.00 0.00 0.00 175.10 174.94 1wmr s TYR 242 N 1.23 2.91 -0.48 5.22 5.04 0.47 -1.98 117.35 129.76 1wmr s TYR 242 Ca 0.01 -0.74 -0.08 0.00 -2.44 0.00 0.00 57.07 53.82 1wmr s TYR 242 Cb -0.14 -1.97 0.12 0.00 0.35 0.00 0.00 41.96 40.32 1wmr s TYR 242 CO -0.08 -0.34 0.35 -0.06 -1.34 0.00 0.00 175.55 174.08 1wmr s PHE 243 N 0.84 3.45 0.59 4.97 0.40 0.31 -0.88 117.98 127.67 1wmr s PHE 243 Ca -0.02 -1.97 -0.19 0.00 -0.60 0.00 0.00 56.93 54.15 1wmr s PHE 243 Cb -0.15 -3.47 -0.04 0.00 0.51 0.00 0.00 43.02 39.88 1wmr s PHE 243 CO 0.01 -0.99 1.20 0.00 0.70 0.00 0.00 175.22 176.14 1wmr s ALA 244 N 1.25 2.55 0.16 5.36 0.00 -0.44 -0.44 121.76 130.20 1wmr s ALA 244 Ca 0.07 0.98 -0.31 0.00 0.00 0.00 0.00 51.96 52.69 1wmr s ALA 244 Cb -0.25 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.32 1wmr s ALA 244 CO -0.01 -1.14 1.67 -2.14 0.00 0.00 0.00 175.76 174.14 1wmr s PRO 245 N -3.36 4.17 0.00 0.00 0.02 -1.26 0.06 135.00 134.63 1wmr s PRO 245 Ca 0.77 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.26 1wmr s PRO 245 Cb -0.29 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 30.95 1wmr s PRO 245 CO 0.33 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 1wmr n GLY 246 N 3.95 0.60 3.82 0.52 0.00 -1.26 -4.51 105.19 108.29 1wmr n GLY 246 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1wmr n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmr s ALA 247 N -2.06 3.67 -0.18 4.61 0.00 0.11 -1.80 121.76 126.11 1wmr s ALA 247 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1wmr s ALA 247 Cb 0.00 -2.42 0.05 0.00 0.00 0.00 0.00 23.12 20.75 1wmr s ALA 247 CO 0.00 0.41 0.00 -0.47 0.00 0.00 0.00 175.76 175.70 1wmr s TYR 248 N -0.82 1.30 -0.20 0.00 6.14 -0.56 -0.61 117.35 122.59 1wmr s TYR 248 Ca 0.24 -0.95 -0.01 0.00 0.64 0.00 0.00 57.07 56.99 1wmr s TYR 248 Cb -0.16 -1.13 0.01 0.00 0.42 0.00 0.00 41.96 41.09 1wmr s TYR 248 CO 0.13 -0.60 -0.12 0.08 0.64 0.00 0.00 175.55 175.67 1wmr s VAL 249 N 1.77 2.67 -0.30 3.14 1.01 0.18 -0.58 120.40 128.29 1wmr s VAL 249 Ca -0.01 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1wmr s VAL 249 Cb -0.16 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1wmr s VAL 249 CO -0.07 0.46 0.72 -0.54 0.00 0.00 0.00 175.10 175.66 1wmr s LYS 250 N 1.37 3.97 0.00 2.72 1.02 -0.20 0.70 119.74 129.32 1wmr s LYS 250 Ca 0.05 0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.53 1wmr s LYS 250 Cb -0.14 -3.72 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 1wmr s LYS 250 CO -0.08 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.15 1wmr n GLY 251 N 4.25 -0.48 2.98 -3.33 0.00 0.56 -1.28 105.19 107.89 1wmr n GLY 251 Ca 0.02 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 1wmr n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmr s ALA 252 N -1.00 -0.01 -0.03 4.61 0.00 -1.26 -3.91 121.76 120.15 1wmr s ALA 252 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1wmr s ALA 252 Cb 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1wmr s ALA 252 CO 0.00 -0.12 -0.00 0.14 0.00 0.00 0.00 175.76 175.78 1wmr s VAL 253 N -0.97 4.17 -0.16 0.00 -7.23 -0.70 0.25 120.40 115.77 1wmr s VAL 253 Ca -0.11 -0.47 -0.05 0.00 -1.81 0.00 0.00 61.98 59.54 1wmr s VAL 253 Cb -0.06 -2.81 0.06 0.00 0.56 0.00 0.00 36.38 34.12 1wmr s VAL 253 CO -0.00 0.47 0.09 -0.70 -0.31 0.00 0.00 175.10 174.65 1wmr s GLU 254 N -1.28 0.05 0.26 4.82 2.12 -0.33 -2.18 118.70 122.16 1wmr s GLU 254 Ca 0.17 -0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.20 1wmr s GLU 254 Cb -0.11 -1.64 -0.09 0.00 0.26 0.00 0.00 34.13 32.54 1wmr s GLU 254 CO 0.07 -0.63 0.95 -0.06 -0.54 0.00 0.00 175.26 175.05 1wmr s PHE 255 N 2.15 3.90 -0.80 5.30 0.40 -0.28 -0.36 117.98 128.29 1wmr s PHE 255 Ca 0.03 1.88 0.14 0.00 -0.60 0.00 0.00 56.93 58.38 1wmr s PHE 255 Cb -0.16 -3.00 -0.13 0.00 0.51 0.00 0.00 43.02 40.25 1wmr s PHE 255 CO -0.08 0.33 0.64 1.28 0.70 0.00 0.00 175.22 178.08 1wmr n LEU 256 N 1.30 0.84 -4.74 -0.37 4.77 -0.51 -3.43 117.00 114.85 1wmr n LEU 256 Ca -0.01 -0.55 -0.41 0.00 -0.03 0.00 0.00 56.01 55.00 1wmr n LEU 256 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1wmr n LEU 256 CO 0.49 0.19 0.99 -0.55 -1.33 0.00 0.00 177.39 177.18 1wmr s SER 257 N -2.24 6.89 -0.12 -1.43 0.15 -1.26 -4.54 113.70 111.16 1wmr s SER 257 Ca 0.07 2.39 0.16 0.00 0.70 0.00 0.00 55.95 59.26 1wmr s SER 257 Cb 0.11 -2.61 0.57 0.00 -1.71 0.00 0.00 66.02 62.39 1wmr s SER 257 CO 0.54 -0.53 1.49 0.35 1.20 0.00 0.00 173.24 176.29 1wmr n THR 258 N 2.74 1.86 -0.49 6.45 -2.24 -1.26 -4.61 114.28 116.73 1wmr n THR 258 Ca 0.06 -1.38 -0.29 0.00 -2.27 0.00 0.00 64.05 60.17 1wmr n THR 258 Cb 0.43 0.06 0.25 0.00 -2.10 0.00 0.00 70.33 68.98 1wmr n THR 258 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wmr n ALA 259 N 0.43 -3.21 0.29 6.98 0.00 -1.26 -4.65 120.51 119.09 1wmr n ALA 259 Ca 0.21 -1.24 0.13 0.00 0.00 0.00 0.00 53.44 52.55 1wmr n ALA 259 Cb 0.81 -1.93 0.64 0.00 0.00 0.00 0.00 19.45 18.97 1wmr n ALA 259 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wmr h SER 260 N -2.67 0.00 -3.33 0.00 4.64 -1.96 -3.42 113.55 106.81 1wmr h SER 260 Ca -0.62 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.62 1wmr h SER 260 Cb 1.34 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.19 1wmr h SER 260 CO 0.48 0.00 -0.18 -0.70 -0.87 0.00 0.00 176.83 175.56 1wmr s GLU 261 N -3.54 0.52 -0.05 4.77 2.12 -1.26 -0.92 118.70 120.33 1wmr s GLU 261 Ca 0.00 0.88 0.05 0.00 0.36 0.00 0.00 54.97 56.26 1wmr s GLU 261 Cb 0.08 0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.55 1wmr s GLU 261 CO 0.34 -0.14 -0.21 0.14 -0.54 0.00 0.00 175.26 174.85 1wmr s VAL 262 N 1.20 1.71 0.03 3.70 -7.23 -0.83 -4.78 120.40 114.20 1wmr s VAL 262 Ca -0.07 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.25 1wmr s VAL 262 Cb -0.06 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 1wmr s VAL 262 CO -0.11 0.48 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.31 1wmr s LYS 263 N -0.10 0.69 -0.18 4.82 2.20 0.42 -1.48 119.74 126.10 1wmr s LYS 263 Ca -0.02 -0.67 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 1wmr s LYS 263 Cb -0.12 -0.61 0.06 0.00 -1.51 0.00 0.00 37.83 35.64 1wmr s LYS 263 CO 0.02 0.14 0.03 0.00 -0.36 0.00 0.00 175.35 175.19 1wmr s ALA 264 N -0.93 0.93 0.31 3.13 0.00 0.31 -0.74 121.76 124.77 1wmr s ALA 264 Ca -0.03 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1wmr s ALA 264 Cb -0.08 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1wmr s ALA 264 CO 0.01 -1.08 0.16 -1.54 0.00 0.00 0.00 175.76 173.30 1wmr s SER 265 N 1.89 1.62 0.00 0.00 1.04 -0.84 -1.01 113.70 116.40 1wmr s SER 265 Ca 0.00 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 54.87 1wmr s SER 265 Cb -0.16 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1wmr s SER 265 CO -0.08 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1wmr n GLY 266 N -0.60 2.79 1.76 7.32 0.00 -0.38 -0.53 105.19 115.55 1wmr n GLY 266 Ca 0.01 -1.88 0.08 0.00 0.00 0.00 0.00 46.02 44.23 1wmr n GLY 266 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wmr n HIS 267 N 0.42 1.82 -1.43 1.61 8.25 -0.61 0.55 115.22 125.83 1wmr n HIS 267 Ca 0.00 -0.66 -0.25 0.00 -0.26 0.00 0.00 57.72 56.55 1wmr n HIS 267 Cb 0.00 -0.40 0.19 0.00 1.12 0.00 0.00 29.99 30.90 1wmr n HIS 267 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wmr n GLY 268 N 0.85 -2.00 3.54 -1.41 0.00 0.42 -4.61 105.19 101.98 1wmr n GLY 268 Ca 0.27 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 1wmr n GLY 268 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wmr s VAL 269 N -3.13 3.48 -0.26 1.61 1.01 0.22 -2.30 120.40 121.04 1wmr s VAL 269 Ca 0.62 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1wmr s VAL 269 Cb -0.03 -2.41 0.05 0.00 0.00 0.00 0.00 36.38 33.99 1wmr s VAL 269 CO 0.45 0.60 -0.10 -0.22 0.00 0.00 0.00 175.10 175.83 1wmr s LEU 270 N -0.77 3.34 -0.07 3.92 2.96 -0.08 0.47 118.68 128.45 1wmr s LEU 270 Ca 0.12 -1.23 0.03 0.00 -0.22 0.00 0.00 54.13 52.83 1wmr s LEU 270 Cb -0.11 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1wmr s LEU 270 CO 0.01 -0.17 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.16 1wmr s SER 271 N 1.17 3.85 -0.33 3.68 0.15 0.22 -1.10 113.70 121.34 1wmr s SER 271 Ca -0.06 -0.29 0.09 0.00 0.70 0.00 0.00 55.95 56.39 1wmr s SER 271 Cb -0.19 -1.06 0.61 0.00 -1.71 0.00 0.00 66.02 63.68 1wmr s SER 271 CO -0.05 0.28 1.67 0.61 1.20 0.00 0.00 173.24 176.94 1wmr n GLY 272 N 2.77 4.37 0.18 9.45 0.00 -0.48 0.21 105.19 121.70 1wmr n GLY 272 Ca -0.17 -1.11 0.13 0.00 0.00 0.00 0.00 46.02 44.86 1wmr n GLY 272 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1wmr h GLU 273 N 1.52 0.00 0.00 1.61 4.11 -1.77 -2.27 114.58 117.78 1wmr h GLU 273 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 1wmr h GLU 273 Cb 2.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.38 1wmr h GLU 273 CO 0.65 0.00 -0.70 1.04 0.07 0.00 0.00 179.01 180.07 1wmr n GLN 274 N -2.37 0.16 -3.37 1.06 6.02 -1.26 -4.86 117.38 112.77 1wmr n GLN 274 Ca -0.01 0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.62 1wmr n GLN 274 Cb 0.06 -1.58 -0.06 0.00 1.02 0.00 0.00 30.24 29.68 1wmr n GLN 274 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1wmr s TYR 275 N -3.10 3.73 0.55 1.08 2.02 -0.85 -4.26 117.35 116.51 1wmr s TYR 275 Ca 0.08 1.10 -0.17 0.00 -0.37 0.00 0.00 57.07 57.71 1wmr s TYR 275 Cb 0.15 -2.43 -0.06 0.00 -0.40 0.00 0.00 41.96 39.22 1wmr s TYR 275 CO 0.74 0.53 1.03 0.14 -1.57 0.00 0.00 175.55 176.42 1wmr s VAL 276 N -0.78 4.05 0.27 0.71 -7.23 -1.26 -4.82 120.40 111.34 1wmr s VAL 276 Ca 0.27 1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 61.18 1wmr s VAL 276 Cb -0.18 -3.50 -0.14 0.00 0.56 0.00 0.00 36.38 33.12 1wmr s VAL 276 CO 0.15 -0.52 1.04 1.87 -0.31 0.00 0.00 175.10 177.34 1wmr n TRP 277 N -1.69 1.29 -1.55 2.82 -0.00 -1.26 -1.10 117.44 115.95 1wmr n TRP 277 Ca 0.08 0.69 -0.18 0.00 -0.00 0.00 0.00 57.50 58.09 1wmr n TRP 277 Cb 0.53 -2.26 -0.08 0.00 -0.00 0.00 0.00 31.31 29.51 1wmr n TRP 277 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 1wmr n TYR 278 N 0.46 -0.02 -1.56 5.87 4.19 0.27 -4.53 117.16 121.84 1wmr n TYR 278 Ca 0.10 0.00 -0.53 0.00 3.31 0.00 0.00 57.90 60.78 1wmr n TYR 278 Cb 0.31 -3.13 -0.06 0.00 0.49 0.00 0.00 39.34 36.95 1wmr n TYR 278 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1wmr n ALA 279 N 1.28 -1.62 -3.25 2.98 0.00 -0.26 -1.12 120.51 118.51 1wmr n ALA 279 Ca -0.18 0.53 -0.38 0.00 0.00 0.00 0.00 53.44 53.40 1wmr n ALA 279 Cb 0.60 -1.98 -0.12 0.00 0.00 0.00 0.00 19.45 17.95 1wmr n ALA 279 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wmr s ASP 280 N 0.27 5.39 0.57 0.00 -1.08 0.15 -0.08 116.67 121.89 1wmr s ASP 280 Ca 0.84 -1.25 0.29 0.00 -0.52 0.00 0.00 52.55 51.90 1wmr s ASP 280 Cb -1.01 -1.90 1.47 0.00 -1.46 0.00 0.00 42.92 40.03 1wmr s ASP 280 CO 0.50 -0.38 1.93 -0.65 0.52 0.00 0.00 175.17 177.09 1wmr h PRO 281 N 8.25 0.00 -0.00 4.34 0.11 -1.88 0.31 132.00 143.13 1wmr h PRO 281 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1wmr h PRO 281 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1wmr h PRO 281 CO 0.64 0.00 -0.55 -0.25 -0.21 0.00 0.00 178.00 177.63 1wmr n ASP 282 N -3.98 0.64 -1.26 -2.05 8.00 -1.26 -3.95 116.55 112.69 1wmr n ASP 282 Ca 0.10 -0.43 -0.03 0.00 0.71 0.00 0.00 54.79 55.13 1wmr n ASP 282 Cb 0.68 0.35 0.22 0.00 -0.02 0.00 0.00 41.12 42.35 1wmr n ASP 282 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wmr n GLU 283 N -1.40 2.29 -2.30 -1.24 1.02 0.16 -4.91 120.64 114.27 1wmr n GLU 283 Ca 0.06 -3.07 -0.14 0.00 -0.02 0.00 0.00 57.16 53.99 1wmr n GLU 283 Cb 0.34 -1.89 -0.01 0.00 -0.02 0.00 0.00 31.44 29.86 1wmr n GLU 283 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wmr n GLY 284 N -0.91 -0.21 2.31 0.62 0.00 -1.16 -2.99 105.19 102.85 1wmr n GLY 284 Ca 0.34 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1wmr n GLY 284 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wmr n TYR 285 N -4.02 -0.65 -2.46 1.61 4.01 0.84 -4.87 117.16 111.62 1wmr n TYR 285 Ca -0.16 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.32 1wmr n TYR 285 Cb 0.63 -3.15 0.04 0.00 -0.31 0.00 0.00 39.34 36.54 1wmr n TYR 285 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1wmr s GLN 286 N -4.59 2.78 0.08 -0.72 1.11 -1.16 -4.19 119.66 112.97 1wmr s GLN 286 Ca 0.00 -0.18 -0.31 0.00 0.01 0.00 0.00 55.36 54.88 1wmr s GLN 286 Cb 0.00 -2.31 -0.10 0.00 -1.01 0.00 0.00 33.01 29.59 1wmr s GLN 286 CO 0.00 -0.74 1.89 0.21 0.01 0.00 0.00 175.29 176.66 1wmr s LYS 287 N -4.96 4.14 0.24 2.91 2.20 -1.26 0.34 119.74 123.35 1wmr s LYS 287 Ca 0.55 2.60 -0.31 0.00 -0.36 0.00 0.00 55.97 58.44 1wmr s LYS 287 Cb -0.10 -3.84 -0.14 0.00 -1.51 0.00 0.00 37.83 32.23 1wmr s LYS 287 CO 0.43 -0.89 1.23 0.00 -0.36 0.00 0.00 175.35 175.76 1wmr n ALA 288 N 6.50 0.21 -2.24 3.13 0.00 -0.28 -4.83 120.51 123.01 1wmr n ALA 288 Ca 0.19 0.42 -0.37 0.00 0.00 0.00 0.00 53.44 53.68 1wmr n ALA 288 Cb 0.39 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 1wmr n ALA 288 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wmr s SER 289 N -0.05 7.01 -1.38 0.00 1.04 -1.26 -4.17 113.70 114.90 1wmr s SER 289 Ca 0.67 1.27 0.00 0.00 0.48 0.00 0.00 55.95 58.37 1wmr s SER 289 Cb -0.72 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.04 1wmr s SER 289 CO 0.54 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.52 1wmr n GLY 290 N 1.17 -0.25 4.17 7.32 0.00 -1.26 -3.41 105.19 112.93 1wmr n GLY 290 Ca -0.06 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1wmr n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmr n ALA 291 N -1.70 -2.12 1.08 4.61 0.00 -1.26 -4.80 120.51 116.32 1wmr n ALA 291 Ca -0.19 -0.40 0.06 0.00 0.00 0.00 0.00 53.44 52.91 1wmr n ALA 291 Cb 0.64 -1.35 0.37 0.00 0.00 0.00 0.00 19.45 19.11 1wmr n ALA 291 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wmr n ASN 292 N -2.80 0.00 -2.01 0.00 0.23 -1.22 -4.85 115.26 104.61 1wmr n ASN 292 Ca -0.29 -0.69 -0.17 0.00 -0.53 0.00 0.00 54.58 52.90 1wmr n ASN 292 Cb 0.67 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.37 1wmr n ASN 292 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1wmr n ASN 293 N -0.86 -5.10 -0.95 0.53 4.05 -1.26 -4.89 115.26 106.77 1wmr n ASN 293 Ca 0.09 -0.03 0.08 0.00 0.45 0.00 0.00 54.58 55.18 1wmr n ASN 293 Cb 0.04 -4.17 0.27 0.00 1.23 0.00 0.00 39.78 37.15 1wmr n ASN 293 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1wmr n ASN 294 N -1.34 3.97 -4.70 1.20 5.15 -1.26 -5.02 115.26 113.26 1wmr n ASN 294 Ca -0.20 -2.95 -0.39 0.00 -0.60 0.00 0.00 54.58 50.45 1wmr n ASN 294 Cb 0.65 -0.54 0.04 0.00 -0.53 0.00 0.00 39.78 39.41 1wmr n ASN 294 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wmr n GLY 295 N -0.35 0.41 3.70 8.20 0.00 -1.26 -4.28 105.19 111.61 1wmr n GLY 295 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1wmr n GLY 295 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wmr s LEU 296 N -2.76 4.37 0.35 0.99 2.96 0.88 -4.85 118.68 120.62 1wmr s LEU 296 Ca 0.71 2.60 -0.10 0.00 -0.22 0.00 0.00 54.13 57.12 1wmr s LEU 296 Cb -0.44 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.61 1wmr s LEU 296 CO 0.50 -0.90 0.69 -0.13 -1.32 0.00 0.00 176.35 175.19 1wmr s ARG 297 N 2.16 3.78 0.10 1.98 3.00 -1.26 -4.10 118.95 124.61 1wmr s ARG 297 Ca 0.74 0.37 0.02 0.00 0.00 0.00 0.00 55.73 56.87 1wmr s ARG 297 Cb -0.43 -2.48 -0.24 0.00 0.00 0.00 0.00 34.95 31.80 1wmr s ARG 297 CO 0.33 0.09 1.22 0.52 0.00 0.00 0.00 175.30 177.45 1wmr h MET 298 N 1.64 0.12 -4.55 3.54 2.86 -1.21 -3.41 114.93 113.92 1wmr h MET 298 Ca -0.47 -0.20 -0.54 0.00 -2.06 0.00 0.00 59.70 56.43 1wmr h MET 298 Cb 1.18 0.07 -0.34 0.00 0.06 0.00 0.00 31.60 32.57 1wmr h MET 298 CO 0.65 1.09 -0.82 -1.58 1.06 0.00 0.00 176.91 177.32 1wmr s TRP 299 N -2.69 1.60 -0.10 -0.22 0.52 -0.18 -1.72 118.94 116.16 1wmr s TRP 299 Ca -0.01 -0.68 -0.16 0.00 0.02 0.00 0.00 56.10 55.27 1wmr s TRP 299 Cb 0.09 -1.20 0.04 0.00 -1.15 0.00 0.00 33.47 31.25 1wmr s TRP 299 CO 0.85 -0.37 0.41 0.50 0.02 0.00 0.00 176.95 178.36 1wmr s ARG 300 N 0.93 0.60 0.27 4.98 6.06 -0.93 -2.38 118.95 128.49 1wmr s ARG 300 Ca -0.09 0.32 -0.08 0.00 -2.50 0.00 0.00 55.73 53.38 1wmr s ARG 300 Cb -0.15 0.28 -0.01 0.00 0.06 0.00 0.00 34.95 35.14 1wmr s ARG 300 CO 0.00 -0.12 0.43 0.20 -2.50 0.00 0.00 175.30 173.31 1wmr s GLY 301 N -0.38 0.97 -0.05 8.12 0.00 -1.25 -1.13 107.32 113.60 1wmr s GLY 301 Ca -0.05 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.47 1wmr s GLY 301 CO 0.03 -0.86 -0.04 -1.08 0.00 0.00 0.00 173.10 171.14 1wmr s THR 302 N -3.71 0.55 0.36 0.90 -1.32 -1.22 -0.33 115.64 110.86 1wmr s THR 302 Ca 0.27 -0.09 -0.19 0.00 -1.21 0.00 0.00 61.69 60.47 1wmr s THR 302 Cb 0.01 -0.60 -0.10 0.00 -1.51 0.00 0.00 72.50 70.30 1wmr s THR 302 CO 0.13 0.24 0.84 -0.76 -2.21 0.00 0.00 174.62 172.86 1wmr s LEU 303 N 1.16 4.07 0.00 9.08 1.02 -1.05 -4.38 118.68 128.58 1wmr s LEU 303 Ca -0.07 1.51 0.00 0.00 0.02 0.00 0.00 54.13 55.59 1wmr s LEU 303 Cb -0.14 -4.21 0.00 0.00 0.02 0.00 0.00 46.19 41.86 1wmr s LEU 303 CO -0.01 -0.23 0.00 0.61 0.02 0.00 0.00 176.35 176.74 1wmr n GLY 304 N -0.28 0.62 0.17 -3.19 0.00 -1.26 -4.81 105.19 96.44 1wmr n GLY 304 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1wmr n GLY 304 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wmr n ASN 305 N 0.00 1.57 -4.65 1.61 6.94 -1.26 -5.00 115.26 114.46 1wmr n ASN 305 Ca 0.00 -1.36 -0.24 0.00 -0.02 0.00 0.00 54.58 52.95 1wmr n ASN 305 Cb 0.00 -0.02 -0.08 0.00 -2.36 0.00 0.00 39.78 37.32 1wmr n ASN 305 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1wmr s SER 306 N -0.49 4.25 0.54 0.53 0.01 -1.26 -5.12 113.70 112.16 1wmr s SER 306 Ca 0.05 -0.97 -0.19 0.00 1.31 0.00 0.00 55.95 56.15 1wmr s SER 306 Cb 0.03 -0.55 -0.06 0.00 0.21 0.00 0.00 66.02 65.65 1wmr s SER 306 CO 0.05 -0.26 1.10 -0.44 0.41 0.00 0.00 173.24 174.10 1wmr s SER 307 N -3.74 5.85 -0.03 2.44 0.01 -1.26 -4.91 113.70 112.07 1wmr s SER 307 Ca 0.35 2.09 -0.05 0.00 1.31 0.00 0.00 55.95 59.65 1wmr s SER 307 Cb -0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1wmr s SER 307 CO 0.20 -1.12 0.12 -1.58 0.41 0.00 0.00 173.24 171.27 1wmr s GLN 308 N -3.35 0.29 -0.14 12.44 0.74 0.60 -4.27 119.66 125.96 1wmr s GLN 308 Ca 0.71 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 56.03 1wmr s GLN 308 Cb -0.21 0.12 -0.01 0.00 1.10 0.00 0.00 33.01 34.01 1wmr s GLN 308 CO 0.26 -0.06 -0.14 0.99 -0.55 0.00 0.00 175.29 175.79 1wmr s THR 309 N -0.57 2.83 -0.36 -0.34 2.01 -0.10 -2.29 115.64 116.82 1wmr s THR 309 Ca -0.07 -0.73 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 1wmr s THR 309 Cb -0.04 -2.19 -0.00 0.00 0.01 0.00 0.00 72.50 70.28 1wmr s THR 309 CO 0.01 0.52 0.39 0.12 -0.69 0.00 0.00 174.62 174.96 1wmr s PHE 310 N 0.62 3.20 -0.26 4.92 5.36 0.38 -1.97 117.98 130.25 1wmr s PHE 310 Ca -0.08 -0.09 -0.10 0.00 -0.96 0.00 0.00 56.93 55.70 1wmr s PHE 310 Cb -0.16 -2.74 -0.04 0.00 -0.34 0.00 0.00 43.02 39.74 1wmr s PHE 310 CO 0.03 -0.50 0.14 0.08 -1.46 0.00 0.00 175.22 173.51 1wmr s VAL 311 N 2.07 5.02 -0.16 3.12 1.01 -0.55 -1.00 120.40 129.91 1wmr s VAL 311 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1wmr s VAL 311 Cb -0.17 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1wmr s VAL 311 CO 0.12 0.31 -0.11 -0.22 0.00 0.00 0.00 175.10 175.20 1wmr s LEU 312 N 1.46 1.82 -0.10 3.92 2.96 0.04 -0.53 118.68 128.24 1wmr s LEU 312 Ca 0.07 -0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 1wmr s LEU 312 Cb -0.15 -1.14 0.05 0.00 0.50 0.00 0.00 46.19 45.45 1wmr s LEU 312 CO 0.07 -0.10 0.22 0.21 -1.32 0.00 0.00 176.35 175.43 1wmr s ASN 313 N 1.49 -0.11 0.00 3.68 3.04 -0.18 -1.26 114.94 121.60 1wmr s ASN 313 Ca 0.03 0.47 0.00 0.00 0.04 0.00 0.00 52.86 53.39 1wmr s ASN 313 Cb -0.14 0.38 0.00 0.00 -1.54 0.00 0.00 41.25 39.95 1wmr s ASN 313 CO -0.09 -0.17 0.00 0.61 -3.04 0.00 0.00 177.10 174.40 1wmr n GLY 314 N 4.40 1.66 3.61 1.21 0.00 -0.76 -1.25 105.19 114.07 1wmr n GLY 314 Ca -0.23 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 1wmr n GLY 314 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wmr n VAL 315 N 0.00 3.00 -4.07 1.61 0.31 0.19 -4.32 118.33 115.05 1wmr n VAL 315 Ca 0.00 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.48 1wmr n VAL 315 Cb 0.00 -1.16 -0.14 0.00 -0.91 0.00 0.00 33.84 31.63 1wmr n VAL 315 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1wmr s THR 316 N -1.41 3.35 -0.19 2.52 2.01 -0.97 -2.04 115.64 118.91 1wmr s THR 316 Ca 0.69 -0.51 -0.07 0.00 0.31 0.00 0.00 61.69 62.10 1wmr s THR 316 Cb -0.48 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 1wmr s THR 316 CO 0.52 0.44 0.06 -0.69 -0.69 0.00 0.00 174.62 174.27 1wmr s VAL 317 N 1.23 4.75 0.12 3.82 1.01 0.83 -0.90 120.40 131.27 1wmr s VAL 317 Ca 0.03 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1wmr s VAL 317 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1wmr s VAL 317 CO -0.02 0.45 -0.19 -0.55 0.00 0.00 0.00 175.10 174.80 1wmr s SER 318 N 0.45 2.46 -1.19 3.32 0.15 -0.26 -0.36 113.70 118.28 1wmr s SER 318 Ca 0.03 -0.76 -0.18 0.00 0.70 0.00 0.00 55.95 55.74 1wmr s SER 318 Cb -0.13 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.05 1wmr s SER 318 CO 0.01 -0.01 0.73 0.00 1.20 0.00 0.00 173.24 175.17 1wmr n ALA 319 N 0.74 -2.45 -1.92 5.45 0.00 -0.63 -1.38 120.51 120.32 1wmr n ALA 319 Ca -0.17 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 1wmr n ALA 319 Cb 0.55 -3.61 -0.04 0.00 0.00 0.00 0.00 19.45 16.35 1wmr n ALA 319 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wmr s PRO 320 N -6.13 4.58 0.00 0.00 0.04 -1.26 -3.21 135.00 129.02 1wmr s PRO 320 Ca 0.39 1.81 0.29 0.00 0.04 0.00 0.00 61.00 63.54 1wmr s PRO 320 Cb -0.14 -3.22 1.31 0.00 0.04 0.00 0.00 34.50 32.48 1wmr s PRO 320 CO 0.87 0.08 1.90 -0.35 0.04 0.00 0.00 177.00 179.54 1wmr n PRO 321 N 1.85 0.86 0.00 0.56 -0.04 -1.26 -4.67 135.00 132.29 1wmr n PRO 321 Ca 0.01 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1wmr n PRO 321 Cb 0.45 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1wmr n PRO 321 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wmr n PHE 322 N -0.82 0.00 -1.56 0.54 -0.00 -1.26 -0.57 117.46 113.80 1wmr n PHE 322 Ca 0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.19 1wmr n PHE 322 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.74 1wmr n PHE 322 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1wmr n ASN 323 N 0.00 0.76 0.10 -2.13 5.03 -0.54 -4.31 115.26 114.16 1wmr n ASN 323 Ca 0.00 1.07 -0.04 0.00 0.87 0.00 0.00 54.58 56.47 1wmr n ASN 323 Cb 0.00 -1.27 0.11 0.00 -1.02 0.00 0.00 39.78 37.60 1wmr n ASN 323 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1wmr h SER 324 N 1.54 0.16 -3.85 6.41 4.64 -1.71 -3.35 113.55 117.39 1wmr h SER 324 Ca -0.41 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 60.76 1wmr h SER 324 Cb 1.35 -0.05 -0.22 0.00 -0.31 0.00 0.00 62.40 63.18 1wmr h SER 324 CO 0.57 0.78 0.06 -0.32 -0.87 0.00 0.00 176.83 177.05 1wmr s MET 325 N -3.57 0.77 -0.24 4.77 -2.45 -1.26 -1.01 119.30 116.30 1wmr s MET 325 Ca -0.03 0.97 -0.21 0.00 -1.25 0.00 0.00 55.69 55.17 1wmr s MET 325 Cb 0.12 0.35 0.07 0.00 1.25 0.00 0.00 34.83 36.61 1wmr s MET 325 CO 0.79 -0.10 0.64 -0.51 1.05 0.00 0.00 175.02 176.89 1wmr s ASP 326 N 0.53 -0.71 0.21 1.11 1.01 -1.00 -4.13 116.67 113.69 1wmr s ASP 326 Ca -0.01 1.31 0.04 0.00 0.71 0.00 0.00 52.55 54.60 1wmr s ASP 326 Cb -0.05 1.30 -0.03 0.00 1.01 0.00 0.00 42.92 45.15 1wmr s ASP 326 CO -0.02 -0.22 0.31 0.26 0.21 0.00 0.00 175.17 175.71 1wmr s TRP 327 N 0.60 3.42 0.33 4.23 0.23 -1.26 -3.88 118.94 122.60 1wmr s TRP 327 Ca -0.02 0.02 0.06 0.00 -2.03 0.00 0.00 56.10 54.13 1wmr s TRP 327 Cb -0.05 -1.58 -0.01 0.00 0.03 0.00 0.00 33.47 31.86 1wmr s TRP 327 CO -0.03 0.47 0.45 -1.12 0.96 0.00 0.00 176.95 177.68 1wmr s SER 328 N -3.70 5.97 0.00 2.95 0.01 0.55 -4.92 113.70 114.56 1wmr s SER 328 Ca 0.34 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1wmr s SER 328 Cb -0.10 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.86 1wmr s SER 328 CO 0.28 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1wmr n GLY 329 N -1.60 3.31 0.10 3.44 0.00 -1.26 -2.54 105.19 106.63 1wmr n GLY 329 Ca -0.01 -1.95 -0.18 0.00 0.00 0.00 0.00 46.02 43.88 1wmr n GLY 329 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1wmr h ASN 330 N 0.00 0.26 -3.55 1.61 4.21 -1.94 -3.41 115.58 112.76 1wmr h ASN 330 Ca 0.00 -0.94 -0.77 0.00 1.21 0.00 0.00 56.30 55.80 1wmr h ASN 330 Cb 0.00 -0.09 -0.25 0.00 -1.12 0.00 0.00 38.32 36.87 1wmr h ASN 330 CO 0.00 1.28 0.17 -0.94 -1.29 0.00 0.00 177.43 176.65 1wmr s SER 331 N -6.70 6.68 0.00 5.81 1.04 -1.26 -4.88 113.70 114.40 1wmr s SER 331 Ca -0.17 -2.49 0.15 0.00 0.48 0.00 0.00 55.95 53.92 1wmr s SER 331 Cb 0.00 -2.24 0.65 0.00 0.10 0.00 0.00 66.02 64.54 1wmr s SER 331 CO 0.76 -0.68 1.48 0.18 0.98 0.00 0.00 173.24 175.96 1wmr n LEU 332 N 4.49 0.00 0.00 2.42 4.32 -1.26 -2.81 117.00 124.16 1wmr n LEU 332 Ca 0.12 0.48 0.10 0.00 -0.02 0.00 0.00 56.01 56.69 1wmr n LEU 332 Cb 0.47 -0.48 0.50 0.00 -1.62 0.00 0.00 43.42 42.28 1wmr n LEU 332 CO 0.38 -0.23 0.81 -0.90 -1.22 0.00 0.00 177.39 176.22 1wmr n ASP 333 N -1.48 0.00 -0.23 -1.43 3.85 -1.26 -2.10 116.55 113.90 1wmr n ASP 333 Ca 0.04 0.03 0.14 0.00 -0.71 0.00 0.00 54.79 54.29 1wmr n ASP 333 Cb 0.17 -0.30 0.57 0.00 -1.35 0.00 0.00 41.12 40.22 1wmr n ASP 333 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1wmr n LEU 334 N -1.30 0.81 -4.73 -2.12 7.99 -1.12 -4.83 117.00 111.69 1wmr n LEU 334 Ca 0.09 -0.18 -0.28 0.00 -0.01 0.00 0.00 56.01 55.63 1wmr n LEU 334 Cb 0.16 -0.10 -0.07 0.00 -0.11 0.00 0.00 43.42 43.30 1wmr n LEU 334 CO 0.15 0.14 -0.28 -0.63 -1.51 0.00 0.00 177.39 175.26 1wmr s ILE 335 N -2.30 4.18 0.03 -0.08 1.01 -0.89 -0.29 121.20 122.86 1wmr s ILE 335 Ca 0.32 -1.11 -0.18 0.00 0.00 0.00 0.00 60.65 59.69 1wmr s ILE 335 Cb 0.20 -3.08 0.03 0.00 0.01 0.00 0.00 42.46 39.63 1wmr s ILE 335 CO 0.44 -0.02 0.40 0.28 0.00 0.00 0.00 174.94 176.03 1wmr s THR 336 N -1.59 0.06 0.10 2.92 -1.32 -0.97 -3.70 115.64 111.14 1wmr s THR 336 Ca 0.29 -0.47 0.09 0.00 -1.21 0.00 0.00 61.69 60.38 1wmr s THR 336 Cb -0.11 -0.91 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1wmr s THR 336 CO 0.21 -0.26 -0.23 0.00 -2.21 0.00 0.00 174.62 172.12 1wmr s ARG 338 N -1.78 0.69 -0.12 0.00 1.81 -0.17 -1.19 118.95 118.19 1wmr s ARG 338 Ca 0.09 -1.01 0.02 0.00 -1.72 0.00 0.00 55.73 53.11 1wmr s ARG 338 Cb -0.10 -1.95 0.01 0.00 -0.45 0.00 0.00 34.95 32.47 1wmr s ARG 338 CO 0.04 -0.97 -0.17 0.54 -0.68 0.00 0.00 175.30 174.06 1wmr s VAL 339 N 1.65 1.64 0.05 3.52 0.11 -0.77 -0.78 120.40 125.81 1wmr s VAL 339 Ca 0.09 -0.73 0.02 0.00 -2.93 0.00 0.00 61.98 58.43 1wmr s VAL 339 Cb -0.17 -1.48 -0.03 0.00 -1.53 0.00 0.00 36.38 33.17 1wmr s VAL 339 CO -0.25 0.47 -0.07 -1.81 -3.33 0.00 0.00 175.10 170.11 1wmr s ASP 340 N 0.94 0.84 -1.60 3.54 1.01 -0.39 -1.61 116.67 119.41 1wmr s ASP 340 Ca -0.07 -0.61 -0.08 0.00 0.71 0.00 0.00 52.55 52.50 1wmr s ASP 340 Cb -0.15 0.05 0.08 0.00 1.01 0.00 0.00 42.92 43.91 1wmr s ASP 340 CO -0.02 -0.25 0.43 -0.67 0.21 0.00 0.00 175.17 174.87 1wmr n ASP 341 N 1.28 -0.97 -4.60 0.27 2.03 -1.07 -1.82 116.55 111.67 1wmr n ASP 341 Ca -0.22 -1.12 -0.31 0.00 0.52 0.00 0.00 54.79 53.67 1wmr n ASP 341 Cb 0.55 -2.36 -0.10 0.00 -0.72 0.00 0.00 41.12 38.49 1wmr n ASP 341 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1wmr s TYR 342 N -3.80 2.84 0.01 -0.67 5.04 -1.18 -1.93 117.35 117.66 1wmr s TYR 342 Ca 0.32 -0.09 0.01 0.00 -2.44 0.00 0.00 57.07 54.87 1wmr s TYR 342 Cb -0.18 -1.53 -0.01 0.00 0.35 0.00 0.00 41.96 40.59 1wmr s TYR 342 CO 0.95 0.40 -0.04 0.15 -1.34 0.00 0.00 175.55 175.68 1wmr s LYS 343 N -1.85 0.28 -0.16 4.97 3.01 -0.86 -1.90 119.74 123.24 1wmr s LYS 343 Ca 0.20 -0.36 0.00 0.00 -1.01 0.00 0.00 55.97 54.80 1wmr s LYS 343 Cb -0.11 -0.12 0.02 0.00 -1.01 0.00 0.00 37.83 36.61 1wmr s LYS 343 CO 0.11 0.02 -0.15 -1.14 0.51 0.00 0.00 175.35 174.71 1wmr s GLN 344 N -0.75 2.36 0.22 1.68 0.74 -0.37 -0.12 119.66 123.43 1wmr s GLN 344 Ca -0.06 -0.61 0.05 0.00 0.05 0.00 0.00 55.36 54.79 1wmr s GLN 344 Cb -0.05 -2.19 -0.05 0.00 1.10 0.00 0.00 33.01 31.82 1wmr s GLN 344 CO -0.00 -0.25 -0.06 0.14 -0.55 0.00 0.00 175.29 174.57 1wmr s VAL 345 N 1.46 1.29 -1.53 1.34 -7.23 0.52 -1.53 120.40 114.71 1wmr s VAL 345 Ca 0.05 -2.08 -0.05 0.00 -1.81 0.00 0.00 61.98 58.08 1wmr s VAL 345 Cb -0.13 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.62 1wmr s VAL 345 CO -0.11 -0.46 0.60 0.61 -0.31 0.00 0.00 175.10 175.43 1wmr n GLY 346 N -0.39 -0.52 2.46 2.32 0.00 -1.26 -1.60 105.19 106.19 1wmr n GLY 346 Ca -0.07 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1wmr n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmr n ALA 347 N -3.56 6.86 0.37 4.61 0.00 -1.26 -3.25 120.51 124.27 1wmr n ALA 347 Ca -0.10 -3.99 0.14 0.00 0.00 0.00 0.00 53.44 49.48 1wmr n ALA 347 Cb 0.61 -2.79 0.55 0.00 0.00 0.00 0.00 19.45 17.83 1wmr n ALA 347 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wmr h PHE 348 N 4.55 0.00 -4.08 0.00 -1.00 -1.89 -3.36 116.94 111.17 1wmr h PHE 348 Ca 0.70 0.00 -0.50 0.00 2.81 0.00 0.00 57.97 60.98 1wmr h PHE 348 Cb 0.32 0.00 0.05 0.00 3.61 0.00 0.00 35.95 39.94 1wmr h PHE 348 CO 1.62 0.00 0.31 0.71 -1.61 0.00 0.00 178.31 179.34 1wmr s TYR 349 N -3.42 3.56 0.66 -0.55 2.02 -1.26 -4.19 117.35 114.17 1wmr s TYR 349 Ca 0.03 1.08 -0.12 0.00 -0.37 0.00 0.00 57.07 57.70 1wmr s TYR 349 Cb 0.09 -2.61 -0.01 0.00 -0.40 0.00 0.00 41.96 39.03 1wmr s TYR 349 CO 0.45 -0.60 1.05 0.20 -1.57 0.00 0.00 175.55 175.07 1wmr s GLY 350 N -4.18 1.76 -1.33 0.71 0.00 -1.01 -3.87 107.32 99.40 1wmr s GLY 350 Ca 0.53 0.13 -0.05 0.00 0.00 0.00 0.00 44.72 45.32 1wmr s GLY 350 CO 0.50 0.43 0.70 -1.06 0.00 0.00 0.00 173.10 173.68 1wmr n GLN 351 N -2.83 -5.21 -2.31 2.90 6.02 -1.26 -4.78 117.38 109.92 1wmr n GLN 351 Ca 0.08 0.79 -0.40 0.00 -0.01 0.00 0.00 57.00 57.46 1wmr n GLN 351 Cb 0.53 -5.48 0.02 0.00 1.02 0.00 0.00 30.24 26.33 1wmr n GLN 351 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wmr n THR 352 N -4.49 5.19 -0.83 5.09 -2.24 -1.25 -1.47 114.28 114.27 1wmr n THR 352 Ca -0.07 -5.17 -0.34 0.00 -2.27 0.00 0.00 64.05 56.20 1wmr n THR 352 Cb 0.59 -1.53 0.11 0.00 -2.10 0.00 0.00 70.33 67.40 1wmr n THR 352 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wmr n ASP 353 N 0.07 -2.94 -4.40 3.42 10.43 -1.26 -4.21 116.55 117.66 1wmr n ASP 353 Ca 0.51 0.25 -0.28 0.00 2.57 0.00 0.00 54.79 57.84 1wmr n ASP 353 Cb 0.27 -1.07 0.15 0.00 1.84 0.00 0.00 41.12 42.30 1wmr n ASP 353 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1wmr s GLY 354 N -1.77 1.76 0.81 0.44 0.00 -0.42 -2.38 107.32 105.75 1wmr s GLY 354 Ca 0.53 -1.32 -0.13 0.00 0.00 0.00 0.00 44.72 43.80 1wmr s GLY 354 CO 0.70 -0.65 1.20 1.08 0.00 0.00 0.00 173.10 175.43 1wmr s LEU 355 N -5.60 3.14 0.25 0.66 1.43 -1.26 -4.49 118.68 112.81 1wmr s LEU 355 Ca 0.70 2.34 -0.20 0.00 -1.03 0.00 0.00 54.13 55.94 1wmr s LEU 355 Cb -0.05 -4.59 -0.09 0.00 0.03 0.00 0.00 46.19 41.50 1wmr s LEU 355 CO 0.49 -2.64 0.76 -1.61 0.23 0.00 0.00 176.35 173.58 1wmr s GLU 356 N -4.16 4.27 -0.46 1.70 0.41 -1.26 -4.55 118.70 114.65 1wmr s GLU 356 Ca 0.73 0.92 0.03 0.00 -0.41 0.00 0.00 54.97 56.24 1wmr s GLU 356 Cb -0.28 -2.81 0.13 0.00 -1.78 0.00 0.00 34.13 29.39 1wmr s GLU 356 CO 0.51 0.34 0.22 -1.64 -0.49 0.00 0.00 175.26 174.20 1wmr s MET 357 N -2.11 1.69 0.94 1.61 -1.94 -1.26 -4.94 119.30 113.28 1wmr s MET 357 Ca 0.46 -2.30 -0.12 0.00 -1.71 0.00 0.00 55.69 52.01 1wmr s MET 357 Cb -0.16 -3.02 0.15 0.00 2.01 0.00 0.00 34.83 33.81 1wmr s MET 357 CO 0.21 -1.09 1.09 0.71 -0.01 0.00 0.00 175.02 175.93 1wmr s TYR 358 N 0.12 2.21 0.09 -0.03 2.02 -1.26 -4.29 117.35 116.20 1wmr s TYR 358 Ca 0.16 1.18 -0.34 0.00 -0.37 0.00 0.00 57.07 57.70 1wmr s TYR 358 Cb -0.24 -3.19 -0.18 0.00 -0.40 0.00 0.00 41.96 37.94 1wmr s TYR 358 CO -0.02 -2.60 0.81 -2.30 -1.57 0.00 0.00 175.55 169.87 1wmr n PRO 359 N -4.01 0.00 -0.91 -1.71 -0.02 -1.24 -1.53 135.00 125.58 1wmr n PRO 359 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1wmr n PRO 359 Cb 0.56 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 1wmr n PRO 359 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wmr n GLY 360 N 1.70 0.54 3.69 -1.23 0.00 -0.90 -4.32 105.19 104.66 1wmr n GLY 360 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1wmr n GLY 360 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wmr n THR 361 N -2.30 3.55 -3.80 2.61 -1.04 -0.58 -4.75 114.28 107.97 1wmr n THR 361 Ca 0.00 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.23 1wmr n THR 361 Cb 0.07 -1.47 -0.16 0.00 -1.82 0.00 0.00 70.33 66.94 1wmr n THR 361 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1wmr s ILE 362 N -1.33 0.77 -0.02 12.58 1.01 -0.33 -1.11 121.20 132.77 1wmr s ILE 362 Ca 0.71 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.77 1wmr s ILE 362 Cb -0.44 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 1wmr s ILE 362 CO 0.50 -0.11 -0.18 -0.22 0.00 0.00 0.00 174.94 174.94 1wmr s LEU 363 N 1.75 1.99 -0.10 2.97 0.20 -0.10 -1.85 118.68 123.54 1wmr s LEU 363 Ca -0.01 -0.33 -0.30 0.00 0.69 0.00 0.00 54.13 54.17 1wmr s LEU 363 Cb -0.17 -0.94 0.09 0.00 -0.43 0.00 0.00 46.19 44.74 1wmr s LEU 363 CO -0.07 0.19 0.79 0.00 -0.29 0.00 0.00 176.35 176.97 1wmr s GLN 364 N -0.24 0.89 -0.75 1.98 -2.07 -0.63 -1.61 119.66 117.23 1wmr s GLN 364 Ca 0.03 0.26 -0.00 0.00 -1.82 0.00 0.00 55.36 53.82 1wmr s GLN 364 Cb -0.09 0.42 -0.00 0.00 -1.09 0.00 0.00 33.01 32.25 1wmr s GLN 364 CO 0.00 -0.27 0.63 -0.25 -1.32 0.00 0.00 175.29 174.08 1wmr n ASP 365 N 0.95 -2.35 -4.46 12.60 8.00 -0.38 -2.86 116.55 128.05 1wmr n ASP 365 Ca -0.16 -0.40 -0.30 0.00 0.71 0.00 0.00 54.79 54.64 1wmr n ASP 365 Cb 0.57 -3.44 -0.12 0.00 -0.02 0.00 0.00 41.12 38.11 1wmr n ASP 365 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wmr s VAL 366 N -3.23 2.75 -0.15 2.53 1.01 -0.95 -2.61 120.40 119.74 1wmr s VAL 366 Ca 0.03 -1.33 -0.00 0.00 0.00 0.00 0.00 61.98 60.67 1wmr s VAL 366 Cb -0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1wmr s VAL 366 CO 0.46 0.24 -0.13 0.12 0.00 0.00 0.00 175.10 175.79 1wmr s PHE 367 N -1.00 2.81 -0.15 5.22 2.19 -0.80 -0.84 117.98 125.42 1wmr s PHE 367 Ca 0.16 -0.86 0.01 0.00 0.33 0.00 0.00 56.93 56.56 1wmr s PHE 367 Cb -0.10 -1.89 0.02 0.00 -1.31 0.00 0.00 43.02 39.74 1wmr s PHE 367 CO 0.07 -0.37 -0.16 0.71 1.83 0.00 0.00 175.22 177.30 1wmr s TYR 368 N 0.68 2.32 -0.30 10.12 2.02 0.68 -1.23 117.35 131.64 1wmr s TYR 368 Ca -0.07 -1.29 -0.05 0.00 -0.37 0.00 0.00 57.07 55.29 1wmr s TYR 368 Cb -0.15 -1.66 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 1wmr s TYR 368 CO 0.02 -0.67 0.06 -1.58 -1.57 0.00 0.00 175.55 171.80 1wmr s HIS 369 N 1.34 3.18 -0.04 2.71 5.65 -0.58 0.96 115.29 128.50 1wmr s HIS 369 Ca 0.03 -1.29 -0.06 0.00 0.25 0.00 0.00 55.06 53.99 1wmr s HIS 369 Cb -0.13 -2.21 0.01 0.00 -1.18 0.00 0.00 32.58 29.06 1wmr s HIS 369 CO -0.10 -0.67 0.15 -0.08 -0.65 0.00 0.00 174.74 173.39 1wmr s THR 370 N 1.42 0.03 -0.22 0.89 -1.32 -1.07 -4.40 115.64 110.96 1wmr s THR 370 Ca 0.00 -0.23 0.15 0.00 -1.21 0.00 0.00 61.69 60.40 1wmr s THR 370 Cb -0.18 -0.29 0.67 0.00 -1.51 0.00 0.00 72.50 71.19 1wmr s THR 370 CO 0.01 -0.13 1.60 -0.67 -2.21 0.00 0.00 174.62 173.22 1wmr n ASP 371 N 2.50 4.71 -0.28 8.08 4.64 -1.26 -0.77 116.55 134.17 1wmr n ASP 371 Ca -0.16 -3.03 0.00 0.00 -1.38 0.00 0.00 54.79 50.23 1wmr n ASP 371 Cb 0.58 -0.62 0.00 0.00 -1.04 0.00 0.00 41.12 40.03 1wmr n ASP 371 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1wmr n ASP 372 N -0.03 0.00 -3.66 1.67 -0.08 -1.19 -3.91 116.55 109.35 1wmr n ASP 372 Ca 0.26 -0.28 -0.52 0.00 -1.51 0.00 0.00 54.79 52.73 1wmr n ASP 372 Cb 1.07 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 44.44 1wmr n ASP 372 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1wmr n ASP 373 N -0.28 0.84 0.00 1.67 10.43 -1.26 -4.75 116.55 123.20 1wmr n ASP 373 Ca 0.00 0.80 0.00 0.00 2.57 0.00 0.00 54.79 58.16 1wmr n ASP 373 Cb 0.00 -0.71 0.00 0.00 1.84 0.00 0.00 41.12 42.25 1wmr n ASP 373 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1wmr n GLY 374 N 4.22 0.55 3.32 0.44 0.00 -1.22 -1.31 105.19 111.21 1wmr n GLY 374 Ca 0.32 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.89 1wmr n GLY 374 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wmr s LEU 375 N -2.53 5.97 -0.64 0.99 1.43 0.13 -3.75 118.68 120.29 1wmr s LEU 375 Ca 0.00 -1.66 -0.23 0.00 -1.03 0.00 0.00 54.13 51.21 1wmr s LEU 375 Cb 0.00 -2.18 0.06 0.00 0.03 0.00 0.00 46.19 44.10 1wmr s LEU 375 CO 0.00 -0.78 0.97 -0.54 0.23 0.00 0.00 176.35 176.23 1wmr s LYS 376 N 1.59 3.16 -1.24 1.70 1.02 -1.26 -1.41 119.74 123.30 1wmr s LYS 376 Ca 0.03 -0.68 -0.14 0.00 0.02 0.00 0.00 55.97 55.21 1wmr s LYS 376 Cb -0.28 -4.18 0.15 0.00 -0.52 0.00 0.00 37.83 33.00 1wmr s LYS 376 CO 0.04 -1.75 1.57 -0.12 -0.92 0.00 0.00 175.35 174.16 1wmr n MET 377 N 7.73 3.35 -0.00 1.68 1.56 -0.20 -4.43 117.12 126.81 1wmr n MET 377 Ca -0.02 -3.68 0.05 0.00 -0.27 0.00 0.00 57.70 53.78 1wmr n MET 377 Cb 0.46 -3.12 -0.07 0.00 2.15 0.00 0.00 33.22 32.65 1wmr n MET 377 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1wmr n TYR 378 N 5.93 0.00 -4.20 1.12 4.01 -1.26 -4.58 117.16 118.17 1wmr n TYR 378 Ca 0.40 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.95 1wmr n TYR 378 Cb 0.42 -0.06 -0.12 0.00 -0.31 0.00 0.00 39.34 39.27 1wmr n TYR 378 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1wmr s TYR 379 N -2.22 1.33 0.68 -0.72 2.02 -1.26 -4.86 117.35 112.32 1wmr s TYR 379 Ca 0.02 -0.49 -0.13 0.00 -0.37 0.00 0.00 57.07 56.10 1wmr s TYR 379 Cb 0.08 -0.73 0.01 0.00 -0.40 0.00 0.00 41.96 40.92 1wmr s TYR 379 CO 0.46 0.10 1.08 -1.12 -1.57 0.00 0.00 175.55 174.50 1wmr s SER 380 N -1.97 5.21 -1.35 2.29 0.01 -1.26 -4.22 113.70 112.41 1wmr s SER 380 Ca 0.02 1.82 -0.07 0.00 1.31 0.00 0.00 55.95 59.03 1wmr s SER 380 Cb -0.08 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.64 1wmr s SER 380 CO 0.03 -1.56 1.09 0.59 0.41 0.00 0.00 173.24 173.80 1wmr n ASN 381 N -2.73 -4.97 -4.78 2.44 3.02 0.28 -2.12 115.26 106.40 1wmr n ASN 381 Ca 0.09 -0.61 -0.35 0.00 -0.03 0.00 0.00 54.58 53.69 1wmr n ASN 381 Cb 0.53 -4.85 -0.07 0.00 -0.61 0.00 0.00 39.78 34.78 1wmr n ASN 381 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wmr s VAL 382 N -3.35 4.82 -0.10 2.41 1.01 -1.07 -2.39 120.40 121.75 1wmr s VAL 382 Ca 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1wmr s VAL 382 Cb -0.20 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.08 1wmr s VAL 382 CO 0.75 0.51 -0.03 -0.89 0.00 0.00 0.00 175.10 175.43 1wmr s THR 383 N -1.05 0.70 -0.04 3.92 2.01 -0.27 -1.30 115.64 119.61 1wmr s THR 383 Ca 0.18 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.09 1wmr s THR 383 Cb -0.12 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.59 1wmr s THR 383 CO 0.08 0.29 -0.09 0.00 -0.69 0.00 0.00 174.62 174.20 1wmr s ALA 384 N 1.84 0.94 0.14 7.40 0.00 0.40 -0.93 121.76 131.56 1wmr s ALA 384 Ca 0.05 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.53 1wmr s ALA 384 Cb -0.13 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.63 1wmr s ALA 384 CO -0.07 0.13 0.39 -0.98 0.00 0.00 0.00 175.76 175.23 1wmr s ARG 385 N 0.35 1.13 -0.83 0.00 1.70 -0.63 -0.61 118.95 120.06 1wmr s ARG 385 Ca -0.06 -0.84 -0.03 0.00 -0.47 0.00 0.00 55.73 54.33 1wmr s ARG 385 Cb -0.11 0.45 -0.01 0.00 -0.57 0.00 0.00 34.95 34.72 1wmr s ARG 385 CO 0.01 -0.44 0.71 0.09 -1.08 0.00 0.00 175.30 174.59 1wmr n ASN 386 N -0.23 -6.89 -4.14 -2.89 5.03 -0.05 -2.00 115.26 104.08 1wmr n ASN 386 Ca -0.13 -0.40 -0.29 0.00 0.87 0.00 0.00 54.58 54.63 1wmr n ASN 386 Cb 0.63 -4.43 -0.17 0.00 -1.02 0.00 0.00 39.78 34.79 1wmr n ASN 386 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1wmr s ILE 387 N -3.08 1.71 -0.23 2.41 1.01 -0.08 -1.25 121.20 121.69 1wmr s ILE 387 Ca 0.09 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 1wmr s ILE 387 Cb -0.02 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1wmr s ILE 387 CO 0.79 0.48 0.01 -0.69 0.00 0.00 0.00 174.94 175.53 1wmr s VAL 388 N 0.51 3.88 -0.12 2.92 1.01 -0.02 -0.03 120.40 128.55 1wmr s VAL 388 Ca -0.16 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1wmr s VAL 388 Cb -0.17 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.43 1wmr s VAL 388 CO 0.06 0.39 -0.19 -0.32 0.00 0.00 0.00 175.10 175.04 1wmr s MET 389 N 1.45 2.65 -0.80 2.72 0.00 0.03 -0.23 119.30 125.11 1wmr s MET 389 Ca 0.05 -0.72 -0.14 0.00 0.00 0.00 0.00 55.69 54.88 1wmr s MET 389 Cb -0.15 -2.18 0.21 0.00 0.00 0.00 0.00 34.83 32.72 1wmr s MET 389 CO 0.01 -0.03 0.75 -0.46 0.00 0.00 0.00 175.02 175.28 1wmr s TRP 390 N 0.88 3.72 0.34 4.11 -0.11 0.27 -1.73 118.94 126.42 1wmr s TRP 390 Ca -0.07 -1.93 -0.27 0.00 1.22 0.00 0.00 56.10 55.05 1wmr s TRP 390 Cb -0.15 -3.82 -0.09 0.00 -1.50 0.00 0.00 33.47 27.90 1wmr s TRP 390 CO -0.02 -1.00 1.10 0.21 -4.62 0.00 0.00 176.95 172.62 1wmr s LYS 391 N 0.30 4.40 0.00 5.86 2.47 -0.78 -2.59 119.74 129.40 1wmr s LYS 391 Ca 0.17 1.72 0.00 0.00 -1.56 0.00 0.00 55.97 56.30 1wmr s LYS 391 Cb -0.12 -2.91 0.00 0.00 -1.46 0.00 0.00 37.83 33.35 1wmr s LYS 391 CO -0.08 0.02 0.00 0.39 0.16 0.00 0.00 175.35 175.84 1wmr n GLU 392 N 0.62 0.00 -0.06 4.03 1.02 0.05 -3.78 120.64 122.52 1wmr n GLU 392 Ca 0.02 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.21 1wmr n GLU 392 Cb 0.47 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.96 1wmr n GLU 392 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wmr n SER 393 N 0.00 2.05 -3.83 1.62 7.64 -1.26 -1.74 113.62 118.09 1wmr n SER 393 Ca 0.00 -2.55 -0.12 0.00 1.01 0.00 0.00 58.87 57.21 1wmr n SER 393 Cb 0.00 -0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 62.86 1wmr n SER 393 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wmr s VAL 394 N -1.93 0.05 0.30 0.44 1.01 -1.25 -4.41 120.40 114.61 1wmr s VAL 394 Ca 0.17 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1wmr s VAL 394 Cb 0.15 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1wmr s VAL 394 CO 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 175.10 174.87 1wmr n ALA 395 N 1.85 -1.46 -1.17 5.51 0.00 0.89 -3.17 120.51 122.95 1wmr n ALA 395 Ca -0.20 0.32 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 1wmr n ALA 395 Cb 0.56 -0.90 0.17 0.00 0.00 0.00 0.00 19.45 19.28 1wmr n ALA 395 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wmr s PRO 396 N -4.31 0.49 0.02 0.00 0.04 -0.78 -4.66 135.00 125.80 1wmr s PRO 396 Ca 0.00 0.54 -0.21 0.00 0.04 0.00 0.00 61.00 61.37 1wmr s PRO 396 Cb 0.00 -1.74 -0.16 0.00 0.04 0.00 0.00 34.50 32.63 1wmr s PRO 396 CO 0.00 -2.69 1.29 0.28 0.04 0.00 0.00 177.00 175.91 1wmr h VAL 397 N -1.87 1.38 -3.51 -0.36 2.07 -0.61 -3.23 116.25 110.12 1wmr h VAL 397 Ca -0.54 -1.43 -0.67 0.00 0.82 0.00 0.00 66.70 64.88 1wmr h VAL 397 Cb 1.33 2.04 -0.27 0.00 -1.52 0.00 0.00 31.29 32.87 1wmr h VAL 397 CO 0.57 0.41 -0.78 -0.69 0.02 0.00 0.00 177.57 177.11 1wmr s VAL 398 N -4.08 2.94 -0.08 2.57 1.01 0.95 -0.69 120.40 123.02 1wmr s VAL 398 Ca -0.14 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1wmr s VAL 398 Cb 0.04 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1wmr s VAL 398 CO 0.75 0.54 -0.20 -0.70 0.00 0.00 0.00 175.10 175.49 1wmr s GLU 399 N 0.09 2.54 -0.30 2.72 2.56 -0.50 -0.65 118.70 125.17 1wmr s GLU 399 Ca -0.06 -0.73 0.18 0.00 0.00 0.00 0.00 54.97 54.36 1wmr s GLU 399 Cb -0.15 -1.98 0.47 0.00 2.00 0.00 0.00 34.13 34.46 1wmr s GLU 399 CO 0.05 0.15 1.27 1.97 -0.56 0.00 0.00 175.26 178.14 1wmr n PHE 400 N 3.54 -0.12 -2.83 5.30 -1.74 -0.62 -1.04 117.46 119.96 1wmr n PHE 400 Ca -0.20 -2.02 -0.11 0.00 -0.56 0.00 0.00 57.45 54.56 1wmr n PHE 400 Cb 0.53 0.49 0.03 0.00 1.52 0.00 0.00 39.48 42.05 1wmr n PHE 400 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1wmr n GLY 401 N -0.91 0.55 0.00 4.97 0.00 -1.26 -4.83 105.19 103.70 1wmr n GLY 401 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1wmr n GLY 401 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wmr n TRP 402 N 1.54 0.00 -3.75 1.61 7.02 -1.26 -2.62 117.44 119.98 1wmr n TRP 402 Ca 0.11 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.46 1wmr n TRP 402 Cb 0.62 -0.02 -0.13 0.00 -2.42 0.00 0.00 31.31 29.36 1wmr n TRP 402 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1wmr s THR 403 N -2.03 -0.03 0.52 -0.99 2.01 -1.26 -1.12 115.64 112.74 1wmr s THR 403 Ca -0.00 0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.89 1wmr s THR 403 Cb 0.00 -0.33 -0.06 0.00 0.01 0.00 0.00 72.50 72.12 1wmr s THR 403 CO 0.02 0.04 1.22 -2.16 -0.69 0.00 0.00 174.62 173.06 1wmr s PRO 404 N 0.89 3.39 0.18 4.92 0.04 -1.26 -5.01 135.00 138.14 1wmr s PRO 404 Ca -0.06 1.88 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 1wmr s PRO 404 Cb -0.08 -2.22 0.06 0.00 0.04 0.00 0.00 34.50 32.30 1wmr s PRO 404 CO -0.05 -0.89 0.60 -0.98 0.04 0.00 0.00 177.00 175.72 1wmr s ARG 405 N -2.95 1.34 -0.43 4.56 1.70 -1.26 -5.05 118.95 116.86 1wmr s ARG 405 Ca 0.70 -0.59 -0.20 0.00 -0.47 0.00 0.00 55.73 55.17 1wmr s ARG 405 Cb -0.31 0.58 0.02 0.00 -0.57 0.00 0.00 34.95 34.67 1wmr s ARG 405 CO 0.37 -0.59 0.63 -0.80 -1.08 0.00 0.00 175.30 173.83 1wmr s ASN 406 N -2.79 6.32 0.00 -2.89 0.02 -1.26 -3.99 114.94 110.36 1wmr s ASN 406 Ca 0.03 -0.31 0.03 0.00 -1.02 0.00 0.00 52.86 51.59 1wmr s ASN 406 Cb -0.01 -2.31 -0.01 0.00 0.02 0.00 0.00 41.25 38.93 1wmr s ASN 406 CO -0.09 -0.74 -0.09 -0.89 0.02 0.00 0.00 177.10 175.30 1wmr s THR 407 N 2.76 0.70 0.10 1.60 2.01 -1.01 -4.75 115.64 117.04 1wmr s THR 407 Ca 0.22 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 61.56 1wmr s THR 407 Cb -0.14 -0.61 0.04 0.00 0.01 0.00 0.00 72.50 71.80 1wmr s THR 407 CO 0.18 0.12 0.43 -1.83 -0.69 0.00 0.00 174.62 172.83 1wmr s GLU 408 N -0.41 1.04 -0.56 4.92 -1.05 -1.26 -0.74 118.70 120.64 1wmr s GLU 408 Ca 0.02 -0.54 -0.10 0.00 -0.15 0.00 0.00 54.97 54.20 1wmr s GLU 408 Cb -0.04 0.46 0.01 0.00 -0.44 0.00 0.00 34.13 34.12 1wmr s GLU 408 CO -0.00 -0.39 0.64 0.09 0.95 0.00 0.00 175.26 176.55 1wmr n ASN 409 N 0.04 -7.80 -4.11 0.83 5.03 -0.86 -0.56 115.26 107.83 1wmr n ASN 409 Ca -0.17 0.25 -0.22 0.00 0.87 0.00 0.00 54.58 55.32 1wmr n ASN 409 Cb 0.62 -5.23 -0.15 0.00 -1.02 0.00 0.00 39.78 34.01 1wmr n ASN 409 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1wmr s VAL 410 N -2.75 1.08 -0.06 2.41 1.01 -0.79 -1.10 120.40 120.21 1wmr s VAL 410 Ca 0.15 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1wmr s VAL 410 Cb -0.04 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1wmr s VAL 410 CO 0.77 0.26 0.00 -0.22 0.00 0.00 0.00 175.10 175.91 1wmr s LEU 411 N -0.45 0.67 -0.29 3.92 2.96 -0.42 -0.87 118.68 124.19 1wmr s LEU 411 Ca 0.05 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1wmr s LEU 411 Cb -0.06 -0.39 0.08 0.00 0.50 0.00 0.00 46.19 46.33 1wmr s LEU 411 CO -0.00 -0.18 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.48 1wmr s PHE 412 N 1.80 3.14 0.08 5.38 0.08 -0.39 -0.45 117.98 127.61 1wmr s PHE 412 Ca 0.02 -2.44 0.09 0.00 0.12 0.00 0.00 56.93 54.72 1wmr s PHE 412 Cb -0.13 -2.26 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 1wmr s PHE 412 CO -0.04 -0.89 -0.24 0.34 -0.10 0.00 0.00 175.22 174.29 1wmr s ASP 413 N 1.13 3.46 -0.57 1.36 2.15 0.22 -1.29 116.67 123.13 1wmr s ASP 413 Ca 0.02 -0.60 -0.14 0.00 0.43 0.00 0.00 52.55 52.27 1wmr s ASP 413 Cb -0.19 -0.38 0.02 0.00 -0.30 0.00 0.00 42.92 42.07 1wmr s ASP 413 CO -0.09 0.22 0.64 -3.20 -0.17 0.00 0.00 175.17 172.58 1wmr n ASN 414 N 1.33 -7.02 -3.97 -0.34 4.05 -0.66 -1.70 115.26 106.96 1wmr n ASN 414 Ca -0.17 0.03 -0.30 0.00 0.45 0.00 0.00 54.58 54.59 1wmr n ASN 414 Cb 0.52 -4.15 -0.16 0.00 1.23 0.00 0.00 39.78 37.23 1wmr n ASN 414 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1wmr s VAL 415 N -2.55 1.61 -0.29 3.44 1.01 -1.02 -0.87 120.40 121.73 1wmr s VAL 415 Ca 0.17 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 1wmr s VAL 415 Cb -0.04 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1wmr s VAL 415 CO 0.80 0.02 0.14 -0.62 0.00 0.00 0.00 175.10 175.44 1wmr s ASP 416 N 1.38 5.51 -0.68 3.32 -1.08 0.96 -0.63 116.67 125.45 1wmr s ASP 416 Ca -0.04 -0.38 -0.18 0.00 -0.52 0.00 0.00 52.55 51.43 1wmr s ASP 416 Cb -0.18 -2.00 0.13 0.00 -1.46 0.00 0.00 42.92 39.42 1wmr s ASP 416 CO -0.07 -0.14 0.75 -0.69 0.52 0.00 0.00 175.17 175.55 1wmr s VAL 417 N 1.63 5.01 -0.07 1.11 1.01 0.43 -0.79 120.40 128.73 1wmr s VAL 417 Ca 0.05 -1.44 0.31 0.00 0.00 0.00 0.00 61.98 60.91 1wmr s VAL 417 Cb -0.16 -4.51 0.35 0.00 0.00 0.00 0.00 36.38 32.06 1wmr s VAL 417 CO 0.06 -1.13 1.91 0.16 0.00 0.00 0.00 175.10 176.09 1wmr h ILE 418 N 5.68 0.00 -2.93 2.22 3.07 -1.56 -0.45 117.51 123.53 1wmr h ILE 418 Ca -0.15 -0.44 -0.06 0.00 1.55 0.00 0.00 64.86 65.76 1wmr h ILE 418 Cb 1.07 1.37 -0.16 0.00 -0.27 0.00 0.00 36.82 38.83 1wmr h ILE 418 CO 1.03 0.00 -0.01 -1.00 -1.05 0.00 0.00 178.15 177.11 1wmr s HIS 419 N -3.56 -0.35 -0.01 0.16 3.76 -1.25 -4.48 115.29 109.55 1wmr s HIS 419 Ca 0.02 0.32 -0.20 0.00 -0.15 0.00 0.00 55.06 55.05 1wmr s HIS 419 Cb 0.09 0.30 0.04 0.00 1.11 0.00 0.00 32.58 34.12 1wmr s HIS 419 CO 0.50 -0.64 0.44 -0.65 -0.85 0.00 0.00 174.74 173.55 1wmr s GLN 420 N -2.67 0.83 -0.42 1.40 -0.21 -1.25 -1.87 119.66 115.47 1wmr s GLN 420 Ca -0.04 -0.09 0.08 0.00 0.02 0.00 0.00 55.36 55.33 1wmr s GLN 420 Cb -0.00 0.38 0.36 0.00 1.00 0.00 0.00 33.01 34.74 1wmr s GLN 420 CO -0.04 -0.25 1.16 0.00 -2.12 0.00 0.00 175.29 174.04 1wmr n ALA 421 N 1.03 0.44 -1.17 6.09 0.00 -0.71 -4.83 120.51 121.36 1wmr n ALA 421 Ca -0.20 -1.68 -0.31 0.00 0.00 0.00 0.00 53.44 51.25 1wmr n ALA 421 Cb 0.57 -1.07 0.11 0.00 0.00 0.00 0.00 19.45 19.06 1wmr n ALA 421 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wmr s TYR 422 N -0.21 2.42 -0.06 0.00 2.02 -1.25 -4.23 117.35 116.04 1wmr s TYR 422 Ca 0.24 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.52 1wmr s TYR 422 Cb 0.35 -3.10 -0.04 0.00 -0.40 0.00 0.00 41.96 38.77 1wmr s TYR 422 CO -0.06 -1.98 -0.05 0.00 -1.57 0.00 0.00 175.55 171.89 1wmr n ALA 423 N -3.65 1.90 -3.46 3.71 0.00 -1.26 -4.07 120.51 113.67 1wmr n ALA 423 Ca 0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 1wmr n ALA 423 Cb 0.53 0.37 -0.02 0.00 0.00 0.00 0.00 19.45 20.33 1wmr n ALA 423 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wmr s ASN 424 N -4.57 0.09 0.58 0.00 4.22 -1.26 -4.79 114.94 109.21 1wmr s ASN 424 Ca -0.08 -1.02 0.28 0.00 -2.14 0.00 0.00 52.86 49.91 1wmr s ASN 424 Cb 0.02 0.71 1.74 0.00 1.28 0.00 0.00 41.25 45.00 1wmr s ASN 424 CO 0.13 -1.38 2.22 0.00 -2.04 0.00 0.00 177.10 176.04 1wmr h ALA 425 N 2.10 1.52 0.00 3.54 0.00 -1.55 -1.05 119.26 123.82 1wmr h ALA 425 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1wmr h ALA 425 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wmr h ALA 425 CO 0.35 0.02 0.00 0.78 0.00 0.00 0.00 179.25 180.40 1wmr h GLY 426 N 0.12 0.00 0.83 0.00 0.00 -1.92 -2.33 103.07 99.78 1wmr h GLY 426 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wmr h GLY 426 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1wmr n ASN 427 N -2.54 0.00 -3.84 0.19 3.02 -0.40 -4.91 115.26 106.80 1wmr n ASN 427 Ca 0.01 -1.08 -0.30 0.00 -0.03 0.00 0.00 54.58 53.18 1wmr n ASN 427 Cb 0.23 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1wmr n ASN 427 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wmr n ASN 428 N -0.91 -3.00 -4.73 6.41 3.02 -0.88 -0.08 115.26 115.09 1wmr n ASN 428 Ca 0.18 -1.04 -0.29 0.00 -0.03 0.00 0.00 54.58 53.40 1wmr n ASN 428 Cb 0.08 -3.09 0.14 0.00 -0.61 0.00 0.00 39.78 36.31 1wmr n ASN 428 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wmr s PRO 429 N -6.36 1.15 0.00 3.52 0.04 -1.26 -1.87 135.00 130.21 1wmr s PRO 429 Ca 0.27 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1wmr s PRO 429 Cb -0.10 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1wmr s PRO 429 CO 0.88 -2.26 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1wmr n GLY 430 N -1.48 4.32 0.09 0.56 0.00 -1.26 -4.67 105.19 102.76 1wmr n GLY 430 Ca 0.06 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 1wmr n GLY 430 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wmr h ILE 431 N 1.91 1.20 -3.55 -0.61 2.04 -1.27 0.10 117.51 117.34 1wmr h ILE 431 Ca 0.00 -1.46 -0.70 0.00 1.00 0.00 0.00 64.86 63.70 1wmr h ILE 431 Cb 0.00 2.08 -0.31 0.00 -0.74 0.00 0.00 36.82 37.85 1wmr h ILE 431 CO 0.00 0.33 -0.55 -0.36 0.00 0.00 0.00 178.15 177.57 1wmr s PHE 432 N -3.22 3.40 0.19 1.37 0.40 -0.84 -0.03 117.98 119.24 1wmr s PHE 432 Ca -0.15 -1.87 0.05 0.00 -0.60 0.00 0.00 56.93 54.36 1wmr s PHE 432 Cb -0.00 -2.81 -0.05 0.00 0.51 0.00 0.00 43.02 40.67 1wmr s PHE 432 CO 0.56 -0.87 -0.07 0.20 0.70 0.00 0.00 175.22 175.74 1wmr s GLY 433 N 1.78 1.30 -0.30 4.36 0.00 0.18 -1.55 107.32 113.09 1wmr s GLY 433 Ca 0.03 -1.62 0.02 0.00 0.00 0.00 0.00 44.72 43.15 1wmr s GLY 433 CO -0.00 -1.65 0.41 0.00 0.00 0.00 0.00 173.10 171.85 1wmr s ALA 434 N -3.29 -1.14 1.18 3.20 0.00 -0.56 -1.59 121.76 119.55 1wmr s ALA 434 Ca 0.22 0.10 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 1wmr s ALA 434 Cb 0.03 -2.08 0.28 0.00 0.00 0.00 0.00 23.12 21.34 1wmr s ALA 434 CO 0.04 -1.79 1.12 1.33 0.00 0.00 0.00 175.76 176.46 1wmr n VAL 435 N 5.25 0.00 -0.83 0.00 0.24 -1.08 -1.67 118.33 120.24 1wmr n VAL 435 Ca 0.01 -0.59 -0.30 0.00 -2.04 0.00 0.00 64.34 61.42 1wmr n VAL 435 Cb 0.49 -1.31 0.25 0.00 -1.47 0.00 0.00 33.84 31.80 1wmr n VAL 435 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1wmr s ASN 436 N -4.73 0.44 -0.21 -1.34 2.47 -0.04 -4.31 114.94 107.22 1wmr s ASN 436 Ca 0.70 0.81 -0.29 0.00 0.42 0.00 0.00 52.86 54.50 1wmr s ASN 436 Cb -0.06 -1.17 -0.01 0.00 -1.45 0.00 0.00 41.25 38.56 1wmr s ASN 436 CO 0.53 -4.44 1.33 0.21 -3.72 0.00 0.00 177.10 171.00 1wmr s ASN 437 N -3.52 6.78 0.55 -4.21 3.84 -1.26 -4.17 114.94 112.95 1wmr s ASN 437 Ca 0.70 1.53 0.23 0.00 0.21 0.00 0.00 52.86 55.53 1wmr s ASN 437 Cb -0.13 -2.54 1.48 0.00 -0.55 0.00 0.00 41.25 39.52 1wmr s ASN 437 CO 0.57 -0.93 2.13 0.10 -2.79 0.00 0.00 177.10 176.19 1wmr h TYR 438 N 8.89 0.00 0.00 0.43 -0.00 -1.31 0.25 116.97 125.23 1wmr h TYR 438 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.43 1wmr h TYR 438 Cb 1.11 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.83 1wmr h TYR 438 CO 0.84 0.00 -0.14 -0.07 -0.00 0.00 0.00 178.16 178.80 1wmr h LEU 439 N 0.00 0.00 0.00 0.10 3.38 -1.91 -2.92 115.31 113.95 1wmr h LEU 439 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1wmr h LEU 439 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1wmr h LEU 439 CO -0.00 0.14 -0.31 -1.22 0.09 0.00 0.00 178.44 177.14 1wmr n TYR 440 N -4.29 0.00 -3.14 1.13 4.02 -0.58 -4.81 117.16 109.49 1wmr n TYR 440 Ca -0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.64 1wmr n TYR 440 Cb 0.21 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.47 1wmr n TYR 440 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wmr n ALA 441 N -1.16 1.98 -0.29 -0.72 0.00 0.79 -5.00 120.51 116.11 1wmr n ALA 441 Ca 0.00 -3.18 0.34 0.00 0.00 0.00 0.00 53.44 50.61 1wmr n ALA 441 Cb 0.02 -0.87 0.72 0.00 0.00 0.00 0.00 19.45 19.32 1wmr n ALA 441 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wmr h PRO 442 N 3.96 0.00 -0.15 0.00 0.13 -1.71 0.54 132.00 134.77 1wmr h PRO 442 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1wmr h PRO 442 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1wmr h PRO 442 CO 0.45 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.82 1wmr n ASP 443 N -3.94 1.74 0.00 1.44 3.85 -1.26 -4.94 116.55 113.44 1wmr n ASP 443 Ca 0.25 -1.69 0.00 0.00 -0.71 0.00 0.00 54.79 52.64 1wmr n ASP 443 Cb 1.28 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 40.96 1wmr n ASP 443 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wmr n GLY 444 N 1.16 2.07 2.96 6.12 0.00 0.19 -4.95 105.19 112.74 1wmr n GLY 444 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1wmr n GLY 444 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wmr s LEU 445 N 0.00 1.40 -0.09 0.99 1.98 -1.26 -0.86 118.68 120.84 1wmr s LEU 445 Ca 0.00 -0.35 -0.31 0.00 -2.89 0.00 0.00 54.13 50.58 1wmr s LEU 445 Cb 0.00 -0.93 0.09 0.00 0.66 0.00 0.00 46.19 46.01 1wmr s LEU 445 CO 0.00 -0.07 0.81 -0.55 -1.89 0.00 0.00 176.35 174.64 1wmr s SER 446 N 1.46 -0.54 0.00 3.68 0.15 -1.26 -5.01 113.70 112.18 1wmr s SER 446 Ca 0.01 0.59 0.28 0.00 0.70 0.00 0.00 55.95 57.53 1wmr s SER 446 Cb -0.13 0.45 1.03 0.00 -1.71 0.00 0.00 66.02 65.65 1wmr s SER 446 CO -0.07 -0.51 1.78 -1.54 1.20 0.00 0.00 173.24 174.10 1wmr n SER 447 N 0.82 0.16 0.00 5.45 3.41 -1.26 -4.48 113.62 117.71 1wmr n SER 447 Ca -0.15 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1wmr n SER 447 Cb 0.57 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1wmr n SER 447 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wmr n ASN 448 N -1.49 0.00 -0.75 4.04 2.85 -1.26 -4.87 115.26 113.78 1wmr n ASN 448 Ca 0.07 0.93 -0.10 0.00 -0.11 0.00 0.00 54.58 55.37 1wmr n ASN 448 Cb 0.34 -0.43 -0.04 0.00 1.24 0.00 0.00 39.78 40.89 1wmr n ASN 448 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1wmr n HIS 449 N -2.36 0.00 -1.79 1.20 8.25 -1.26 -4.87 115.22 114.39 1wmr n HIS 449 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1wmr n HIS 449 Cb 0.00 -2.18 0.16 0.00 1.12 0.00 0.00 29.99 29.08 1wmr n HIS 449 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wmr n SER 450 N -0.46 2.10 -0.08 0.41 7.64 -1.26 -1.56 113.62 120.41 1wmr n SER 450 Ca -0.10 -3.62 0.08 0.00 1.01 0.00 0.00 58.87 56.23 1wmr n SER 450 Cb 0.43 -0.47 0.11 0.00 -1.01 0.00 0.00 64.21 63.27 1wmr n SER 450 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wmr n THR 451 N -0.86 1.68 -2.03 0.44 -2.24 -1.21 -3.46 114.28 106.61 1wmr n THR 451 Ca 0.21 -1.95 -0.29 0.00 -2.27 0.00 0.00 64.05 59.74 1wmr n THR 451 Cb 0.79 -0.06 0.20 0.00 -2.10 0.00 0.00 70.33 69.15 1wmr n THR 451 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wmr s GLY 452 N -2.40 1.82 -0.18 3.38 0.00 -0.88 -4.47 107.32 104.59 1wmr s GLY 452 Ca 0.25 -1.41 -0.00 0.00 0.00 0.00 0.00 44.72 43.55 1wmr s GLY 452 CO 0.03 -0.60 -0.07 0.21 0.00 0.00 0.00 173.10 172.66 1wmr s ASN 453 N -4.95 3.02 0.00 1.64 3.04 0.11 -0.04 114.94 117.76 1wmr s ASN 453 Ca 0.76 -0.74 0.30 0.00 0.04 0.00 0.00 52.86 53.21 1wmr s ASN 453 Cb -0.02 -1.01 1.54 0.00 -1.54 0.00 0.00 41.25 40.21 1wmr s ASN 453 CO 0.53 -0.17 2.04 -1.54 -3.04 0.00 0.00 177.10 174.92 1wmr n SER 454 N 4.81 0.00 -0.97 -4.21 3.41 -1.26 -3.20 113.62 112.21 1wmr n SER 454 Ca -0.13 -0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.32 1wmr n SER 454 Cb 0.47 -0.24 0.25 0.00 -0.26 0.00 0.00 64.21 64.44 1wmr n SER 454 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1wmr n ASN 455 N -1.24 2.91 -4.38 4.04 3.02 -1.26 -4.82 115.26 113.54 1wmr n ASN 455 Ca 0.15 -1.91 -0.27 0.00 -0.03 0.00 0.00 54.58 52.52 1wmr n ASN 455 Cb 0.21 -0.19 -0.13 0.00 -0.61 0.00 0.00 39.78 39.07 1wmr n ASN 455 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1wmr s MET 456 N -1.62 1.37 -0.04 3.52 -1.94 -1.19 -5.04 119.30 114.36 1wmr s MET 456 Ca 0.36 -1.36 -0.04 0.00 -1.71 0.00 0.00 55.69 52.95 1wmr s MET 456 Cb 0.21 -1.77 0.01 0.00 2.01 0.00 0.00 34.83 35.29 1wmr s MET 456 CO 0.30 0.41 0.10 0.99 -0.01 0.00 0.00 175.02 176.81 1wmr s THR 457 N -1.26 0.00 -0.30 2.05 2.01 -1.26 -1.54 115.64 115.34 1wmr s THR 457 Ca 0.14 -0.03 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 1wmr s THR 457 Cb -0.09 -0.16 -0.00 0.00 0.01 0.00 0.00 72.50 72.25 1wmr s THR 457 CO 0.07 -0.01 0.13 -0.69 -0.69 0.00 0.00 174.62 173.42 1wmr s VAL 458 N 0.00 4.41 0.11 3.82 1.01 0.10 -2.41 120.40 127.45 1wmr s VAL 458 Ca -0.01 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1wmr s VAL 458 Cb -0.01 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1wmr s VAL 458 CO 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 175.10 175.07 1wmr s ARG 459 N 1.58 0.91 -0.91 2.72 1.70 0.08 -1.24 118.95 123.79 1wmr s ARG 459 Ca 0.04 -1.18 -0.07 0.00 -0.47 0.00 0.00 55.73 54.05 1wmr s ARG 459 Cb -0.17 -0.69 -0.01 0.00 -0.57 0.00 0.00 34.95 33.51 1wmr s ARG 459 CO 0.05 0.12 0.74 -1.71 -1.08 0.00 0.00 175.30 173.42 1wmr n ASN 460 N 0.57 -6.40 -4.53 -2.89 5.15 -0.56 -2.03 115.26 104.57 1wmr n ASN 460 Ca -0.16 -0.60 -0.34 0.00 -0.60 0.00 0.00 54.58 52.89 1wmr n ASN 460 Cb 0.57 -4.09 -0.12 0.00 -0.53 0.00 0.00 39.78 35.61 1wmr n ASN 460 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1wmr s ILE 461 N -3.19 3.54 -0.08 -1.44 -1.09 -0.33 -1.88 121.20 116.72 1wmr s ILE 461 Ca 0.21 -0.53 -0.01 0.00 -2.23 0.00 0.00 60.65 58.09 1wmr s ILE 461 Cb -0.06 -2.45 0.03 0.00 -1.58 0.00 0.00 42.46 38.40 1wmr s ILE 461 CO 0.81 0.58 -0.03 -0.89 -1.23 0.00 0.00 174.94 174.18 1wmr s THR 462 N -0.52 0.59 -0.31 2.92 2.01 -0.05 -0.31 115.64 119.97 1wmr s THR 462 Ca 0.07 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1wmr s THR 462 Cb -0.12 -0.70 0.08 0.00 0.01 0.00 0.00 72.50 71.77 1wmr s THR 462 CO 0.02 0.29 0.00 0.26 -0.69 0.00 0.00 174.62 174.50 1wmr s TRP 463 N 1.79 3.47 0.04 4.92 0.51 0.16 -1.27 118.94 128.57 1wmr s TRP 463 Ca 0.03 -2.47 0.08 0.00 -2.12 0.00 0.00 56.10 51.63 1wmr s TRP 463 Cb -0.13 -2.45 -0.03 0.00 -0.81 0.00 0.00 33.47 30.06 1wmr s TRP 463 CO -0.06 -0.90 -0.24 -1.54 -0.51 0.00 0.00 176.95 173.71 1wmr s SER 464 N 1.16 2.86 -1.18 2.95 1.04 -0.41 -1.15 113.70 118.97 1wmr s SER 464 Ca 0.00 -0.55 -0.02 0.00 0.48 0.00 0.00 55.95 55.87 1wmr s SER 464 Cb -0.20 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.66 1wmr s SER 464 CO -0.05 0.23 1.00 0.59 0.98 0.00 0.00 173.24 175.99 1wmr n ASN 465 N 1.88 -3.03 -4.83 7.02 3.02 0.19 -1.65 115.26 117.86 1wmr n ASN 465 Ca -0.17 -0.57 -0.35 0.00 -0.03 0.00 0.00 54.58 53.46 1wmr n ASN 465 Cb 0.52 -4.91 -0.06 0.00 -0.61 0.00 0.00 39.78 34.73 1wmr n ASN 465 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1wmr s PHE 466 N -3.34 3.56 -0.05 3.10 0.40 0.32 -2.42 117.98 119.55 1wmr s PHE 466 Ca 0.13 1.23 -0.02 0.00 -0.60 0.00 0.00 56.93 57.67 1wmr s PHE 466 Cb -0.06 -2.51 0.03 0.00 0.51 0.00 0.00 43.02 40.99 1wmr s PHE 466 CO 0.70 0.30 0.08 0.50 0.70 0.00 0.00 175.22 177.49 1wmr s ARG 467 N -2.27 -0.06 -0.29 0.44 3.52 0.20 -2.17 118.95 118.32 1wmr s ARG 467 Ca 0.45 0.41 -0.06 0.00 -0.13 0.00 0.00 55.73 56.40 1wmr s ARG 467 Cb -0.14 -0.46 0.01 0.00 -1.56 0.00 0.00 34.95 32.80 1wmr s ARG 467 CO 0.20 -0.32 0.06 0.00 -0.81 0.00 0.00 175.30 174.42 1wmr s ALA 468 N 2.18 3.01 0.30 6.12 0.00 0.20 0.16 121.76 133.73 1wmr s ALA 468 Ca 0.04 -1.47 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 1wmr s ALA 468 Cb -0.12 -2.09 -0.06 0.00 0.00 0.00 0.00 23.12 20.85 1wmr s ALA 468 CO -0.04 -0.93 0.59 -1.21 0.00 0.00 0.00 175.76 174.18 1wmr s GLU 469 N 1.47 3.69 2.36 0.00 2.02 -0.18 -1.80 118.70 126.27 1wmr s GLU 469 Ca 0.02 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.16 1wmr s GLU 469 Cb -0.17 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1wmr s GLU 469 CO 0.01 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.90 1wmr n GLY 470 N -0.83 -0.39 3.76 -1.39 0.00 -1.26 -4.41 105.19 100.67 1wmr n GLY 470 Ca -0.00 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 1wmr n GLY 470 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wmr s SER 471 N -4.00 7.17 0.23 1.61 1.04 -1.26 -2.41 113.70 116.08 1wmr s SER 471 Ca 0.00 2.26 0.05 0.00 0.48 0.00 0.00 55.95 58.74 1wmr s SER 471 Cb 0.00 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 1wmr s SER 471 CO 0.00 -0.21 -0.04 -0.55 0.98 0.00 0.00 173.24 173.42 1wmr s SER 472 N -0.95 2.09 0.84 7.02 0.15 0.19 -4.43 113.70 118.60 1wmr s SER 472 Ca 0.47 -1.17 -0.07 0.00 0.70 0.00 0.00 55.95 55.88 1wmr s SER 472 Cb -0.31 -0.04 0.17 0.00 -1.71 0.00 0.00 66.02 64.12 1wmr s SER 472 CO 0.40 -0.43 1.07 -1.54 1.20 0.00 0.00 173.24 173.94 1wmr n SER 473 N -0.43 0.77 -4.58 5.45 3.41 -1.26 -0.68 113.62 116.31 1wmr n SER 473 Ca -0.06 -1.81 -0.40 0.00 -0.26 0.00 0.00 58.87 56.34 1wmr n SER 473 Cb 0.63 -0.75 0.03 0.00 -0.26 0.00 0.00 64.21 63.86 1wmr n SER 473 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wmr n ALA 474 N -3.29 -0.15 -0.30 7.33 0.00 0.34 -4.69 120.51 119.75 1wmr n ALA 474 Ca -0.17 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1wmr n ALA 474 Cb 0.55 -2.03 0.19 0.00 0.00 0.00 0.00 19.45 18.16 1wmr n ALA 474 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wmr h LEU 475 N 0.98 1.00 -7.00 0.00 5.85 -1.87 -1.14 115.31 113.13 1wmr h LEU 475 Ca -0.45 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1wmr h LEU 475 Cb 1.36 -0.24 -0.23 0.00 0.37 0.00 0.00 40.66 41.92 1wmr h LEU 475 CO 0.53 0.71 0.28 0.72 -0.34 0.00 0.00 178.44 180.34 1wmr s PHE 476 N -5.97 -0.64 -0.32 1.25 -0.71 -1.26 -1.98 117.98 108.35 1wmr s PHE 476 Ca -0.12 1.53 -0.01 0.00 -1.04 0.00 0.00 56.93 57.29 1wmr s PHE 476 Cb 0.18 0.32 0.10 0.00 -1.21 0.00 0.00 43.02 42.42 1wmr s PHE 476 CO 0.80 -0.33 0.12 1.03 -1.34 0.00 0.00 175.22 175.50 1wmr s ARG 477 N 0.19 0.65 -0.18 1.99 0.52 -0.60 -1.81 118.95 119.71 1wmr s ARG 477 Ca 0.01 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.17 1wmr s ARG 477 Cb -0.05 -1.82 0.03 0.00 0.52 0.00 0.00 34.95 33.63 1wmr s ARG 477 CO -0.01 -1.02 -0.16 0.42 0.02 0.00 0.00 175.30 174.54 1wmr s ILE 478 N 1.59 1.85 -0.30 1.52 1.01 -0.51 -1.50 121.20 124.86 1wmr s ILE 478 Ca 0.11 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 1wmr s ILE 478 Cb -0.18 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 1wmr s ILE 478 CO -0.24 0.44 0.42 0.20 0.00 0.00 0.00 174.94 175.76 1wmr s ASN 479 N 1.36 6.28 -1.35 3.58 0.01 -0.67 -3.96 114.94 120.19 1wmr s ASN 479 Ca 0.04 0.18 -0.17 0.00 -0.71 0.00 0.00 52.86 52.20 1wmr s ASN 479 Cb -0.14 -2.23 0.06 0.00 0.41 0.00 0.00 41.25 39.35 1wmr s ASN 479 CO -0.11 -0.29 1.91 -2.65 -1.51 0.00 0.00 177.10 174.45 1wmr n PRO 480 N 5.46 3.05 0.16 -0.60 -0.02 -1.26 -4.67 135.00 137.12 1wmr n PRO 480 Ca -0.07 -3.03 0.12 0.00 -2.02 0.00 0.00 63.50 58.51 1wmr n PRO 480 Cb 0.50 -3.43 0.56 0.00 -0.02 0.00 0.00 33.50 31.12 1wmr n PRO 480 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1wmr h ILE 481 N 5.03 0.00 -4.07 4.25 3.07 -1.93 -3.43 117.51 120.42 1wmr h ILE 481 Ca 0.49 -0.16 -0.14 0.00 1.55 0.00 0.00 64.86 66.60 1wmr h ILE 481 Cb 0.79 0.83 -0.13 0.00 -0.27 0.00 0.00 36.82 38.04 1wmr h ILE 481 CO 1.61 0.00 -0.39 0.00 -1.05 0.00 0.00 178.15 178.32 1wmr s GLN 482 N -3.45 1.23 0.64 0.16 0.00 -1.26 0.04 119.66 117.01 1wmr s GLN 482 Ca 0.01 -1.34 -0.18 0.00 -0.00 0.00 0.00 55.36 53.85 1wmr s GLN 482 Cb 0.08 0.36 -0.01 0.00 0.00 0.00 0.00 33.01 33.43 1wmr s GLN 482 CO 0.33 -0.44 1.30 -0.80 0.00 0.00 0.00 175.29 175.68 1wmr s ASN 483 N -3.04 4.66 -0.06 12.60 0.01 -0.59 -4.79 114.94 123.73 1wmr s ASN 483 Ca 0.25 2.64 0.04 0.00 -0.71 0.00 0.00 52.86 55.07 1wmr s ASN 483 Cb 0.04 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.08 1wmr s ASN 483 CO 0.05 -1.97 -0.17 -0.76 -1.51 0.00 0.00 177.10 172.74 1wmr s LEU 484 N -4.29 1.87 -0.11 0.60 1.43 0.20 -0.72 118.68 117.65 1wmr s LEU 484 Ca 0.82 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 1wmr s LEU 484 Cb -0.38 -1.04 0.05 0.00 0.03 0.00 0.00 46.19 44.85 1wmr s LEU 484 CO 0.40 0.12 0.25 -0.62 0.23 0.00 0.00 176.35 176.73 1wmr s ASP 485 N 0.31 0.00 -0.81 2.29 2.15 -0.38 -0.55 116.67 119.70 1wmr s ASP 485 Ca -0.11 0.54 -0.02 0.00 0.43 0.00 0.00 52.55 53.39 1wmr s ASP 485 Cb -0.15 0.50 -0.01 0.00 -0.30 0.00 0.00 42.92 42.96 1wmr s ASP 485 CO 0.04 -0.20 0.74 -3.20 -0.17 0.00 0.00 175.17 172.39 1wmr n ASN 486 N 4.68 -7.45 -4.34 -0.34 5.15 -0.47 -1.50 115.26 110.99 1wmr n ASN 486 Ca -0.18 -0.24 -0.34 0.00 -0.60 0.00 0.00 54.58 53.23 1wmr n ASN 486 Cb 0.52 -5.14 -0.14 0.00 -0.53 0.00 0.00 39.78 34.49 1wmr n ASN 486 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1wmr s ILE 487 N -3.08 3.22 -0.09 -1.44 1.01 -1.05 -1.19 121.20 118.58 1wmr s ILE 487 Ca 0.09 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1wmr s ILE 487 Cb -0.01 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1wmr s ILE 487 CO 0.76 0.48 -0.19 -0.44 0.00 0.00 0.00 174.94 175.54 1wmr s SER 488 N 0.89 2.63 -0.27 3.58 0.01 0.57 -1.34 113.70 119.76 1wmr s SER 488 Ca -0.02 -0.47 -0.08 0.00 1.31 0.00 0.00 55.95 56.69 1wmr s SER 488 Cb -0.15 -1.20 -0.02 0.00 0.21 0.00 0.00 66.02 64.86 1wmr s SER 488 CO 0.00 0.10 0.10 -0.63 0.41 0.00 0.00 173.24 173.22 1wmr s ILE 489 N 0.55 4.35 -0.20 1.44 1.01 0.08 -0.66 121.20 127.76 1wmr s ILE 489 Ca -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1wmr s ILE 489 Cb -0.17 -3.12 0.05 0.00 0.01 0.00 0.00 42.46 39.23 1wmr s ILE 489 CO 0.05 0.22 -0.06 -0.54 0.00 0.00 0.00 174.94 174.61 1wmr s LYS 490 N 1.60 1.59 -0.15 2.79 1.02 -0.30 -0.75 119.74 125.54 1wmr s LYS 490 Ca 0.05 -0.79 -0.05 0.00 0.02 0.00 0.00 55.97 55.21 1wmr s LYS 490 Cb -0.16 -2.36 0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1wmr s LYS 490 CO 0.04 -0.52 0.09 0.09 -0.92 0.00 0.00 175.35 174.14 1wmr n ASN 491 N 4.76 -3.00 -3.68 2.83 3.02 0.11 0.55 115.26 119.85 1wmr n ASN 491 Ca -0.12 0.89 -0.18 0.00 -0.03 0.00 0.00 54.58 55.13 1wmr n ASN 491 Cb 0.46 -3.76 -0.17 0.00 -0.61 0.00 0.00 39.78 35.70 1wmr n ASN 491 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wmr s VAL 492 N -0.69 -0.15 -0.08 2.41 0.11 -0.79 -0.52 120.40 120.68 1wmr s VAL 492 Ca -0.11 0.39 0.02 0.00 -2.93 0.00 0.00 61.98 59.34 1wmr s VAL 492 Cb 0.01 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1wmr s VAL 492 CO 0.51 0.16 -0.12 -0.94 -3.33 0.00 0.00 175.10 171.38 1wmr s SER 493 N 2.12 4.16 -0.28 3.54 1.04 -0.92 -1.42 113.70 121.93 1wmr s SER 493 Ca 0.03 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.28 1wmr s SER 493 Cb -0.12 -1.20 0.07 0.00 0.10 0.00 0.00 66.02 64.87 1wmr s SER 493 CO -0.04 0.28 -0.06 -0.63 0.98 0.00 0.00 173.24 173.77 1wmr s ILE 494 N -0.32 2.22 0.12 -1.02 1.01 -0.17 -0.63 121.20 122.40 1wmr s ILE 494 Ca 0.03 -1.84 -0.32 0.00 0.00 0.00 0.00 60.65 58.53 1wmr s ILE 494 Cb -0.13 -2.41 -0.10 0.00 0.01 0.00 0.00 42.46 39.83 1wmr s ILE 494 CO 0.02 -0.20 1.57 -0.08 0.00 0.00 0.00 174.94 176.26 1wmr h GLU 495 N 7.73 -0.60 -3.58 2.79 4.81 -1.51 0.14 114.58 124.35 1wmr h GLU 495 Ca -0.15 0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1wmr h GLU 495 Cb 1.03 0.14 -0.15 0.00 0.63 0.00 0.00 28.75 30.40 1wmr h GLU 495 CO 0.48 -0.40 -0.29 -1.54 -0.73 0.00 0.00 179.01 176.53 1wmr s SER 496 N -4.76 -0.01 0.16 1.04 1.04 -1.01 -2.55 113.70 107.60 1wmr s SER 496 Ca -0.16 -0.45 -0.07 0.00 0.48 0.00 0.00 55.95 55.76 1wmr s SER 496 Cb 0.08 0.36 -0.06 0.00 0.10 0.00 0.00 66.02 66.50 1wmr s SER 496 CO 0.63 -0.70 0.43 -0.36 0.98 0.00 0.00 173.24 174.21 1wmr s PHE 497 N -3.38 3.47 1.08 5.02 0.40 -1.26 0.53 117.98 123.83 1wmr s PHE 497 Ca 0.01 0.67 -0.13 0.00 -0.60 0.00 0.00 56.93 56.88 1wmr s PHE 497 Cb 0.02 -2.09 0.23 0.00 0.51 0.00 0.00 43.02 41.69 1wmr s PHE 497 CO -0.09 0.39 1.07 -1.21 0.70 0.00 0.00 175.22 176.08 1wmr s GLU 498 N -2.64 -0.20 0.30 0.44 2.02 0.15 -4.53 118.70 114.24 1wmr s GLU 498 Ca 0.42 0.60 -0.30 0.00 0.02 0.00 0.00 54.97 55.72 1wmr s GLU 498 Cb -0.12 -1.66 -0.11 0.00 0.10 0.00 0.00 34.13 32.34 1wmr s GLU 498 CO 0.23 -3.18 1.58 -1.25 0.02 0.00 0.00 175.26 172.66 1wmr s PRO 499 N -4.77 4.13 0.40 0.39 0.04 -1.26 -4.86 135.00 129.07 1wmr s PRO 499 Ca 0.67 2.56 0.11 0.00 0.04 0.00 0.00 61.00 64.37 1wmr s PRO 499 Cb -0.21 -3.03 0.91 0.00 0.04 0.00 0.00 34.50 32.22 1wmr s PRO 499 CO 0.60 -0.61 1.96 1.25 0.04 0.00 0.00 177.00 180.24 1wmr h LEU 500 N 4.73 0.50 -1.56 -3.56 5.85 -2.00 -2.52 115.31 116.74 1wmr h LEU 500 Ca -0.47 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1wmr h LEU 500 Cb 1.22 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1wmr h LEU 500 CO 0.78 0.30 0.00 0.77 -0.34 0.00 0.00 178.44 179.95 1wmr h SER 501 N 0.55 0.00 -0.16 1.25 4.64 -2.00 -2.84 113.55 114.99 1wmr h SER 501 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1wmr h SER 501 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1wmr h SER 501 CO -0.10 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.16 1wmr n ILE 502 N -2.49 0.19 -3.46 0.95 -5.35 -0.95 -4.99 119.36 103.26 1wmr n ILE 502 Ca -0.01 -0.48 -0.18 0.00 -0.27 0.00 0.00 62.75 61.81 1wmr n ILE 502 Cb 0.11 0.89 0.09 0.00 -1.74 0.00 0.00 39.64 38.99 1wmr n ILE 502 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1wmr n ASN 503 N 0.91 -2.58 0.00 7.28 4.13 -1.07 -3.31 115.26 120.62 1wmr n ASN 503 Ca 0.17 -0.62 0.00 0.00 1.68 0.00 0.00 54.58 55.81 1wmr n ASN 503 Cb 0.49 -5.08 0.00 0.00 -1.54 0.00 0.00 39.78 33.65 1wmr n ASN 503 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1wmr n THR 504 N -4.25 0.00 -0.06 3.41 -2.24 -1.26 -3.32 114.28 106.56 1wmr n THR 504 Ca -0.25 -0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.26 1wmr n THR 504 Cb 0.66 1.11 -0.16 0.00 -2.10 0.00 0.00 70.33 69.84 1wmr n THR 504 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wmr n THR 505 N -0.39 0.80 -2.35 4.28 -2.24 -1.26 0.13 114.28 113.24 1wmr n THR 505 Ca 0.00 -0.70 -0.41 0.00 -2.27 0.00 0.00 64.05 60.67 1wmr n THR 505 Cb 0.03 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 1wmr n THR 505 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wmr s GLU 506 N -2.94 4.53 0.09 -0.78 2.02 -1.26 -3.66 118.70 116.70 1wmr s GLU 506 Ca -0.09 1.93 -0.04 0.00 0.02 0.00 0.00 54.97 56.79 1wmr s GLU 506 Cb 0.09 -3.17 -0.05 0.00 0.10 0.00 0.00 34.13 31.10 1wmr s GLU 506 CO 0.86 0.03 0.32 -1.12 0.02 0.00 0.00 175.26 175.37 1wmr s SER 507 N -0.51 6.47 0.12 -0.19 0.01 0.40 -4.69 113.70 115.32 1wmr s SER 507 Ca 0.48 0.52 -0.14 0.00 1.31 0.00 0.00 55.95 58.13 1wmr s SER 507 Cb -0.34 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 63.84 1wmr s SER 507 CO 0.43 0.13 0.35 -1.66 0.41 0.00 0.00 173.24 172.90 1wmr s TRP 508 N -1.53 -0.06 -0.40 2.43 1.48 -0.75 -0.70 118.94 119.41 1wmr s TRP 508 Ca 0.36 -0.29 0.07 0.00 -1.06 0.00 0.00 56.10 55.18 1wmr s TRP 508 Cb -0.13 0.16 0.18 0.00 -1.16 0.00 0.00 33.47 32.52 1wmr s TRP 508 CO 0.23 -0.68 0.60 1.41 -4.06 0.00 0.00 176.95 174.45 1wmr s MET 509 N -3.84 0.79 0.56 3.25 1.75 -0.43 -1.42 119.30 119.95 1wmr s MET 509 Ca 0.05 -0.30 -0.13 0.00 -1.25 0.00 0.00 55.69 54.05 1wmr s MET 509 Cb 0.03 0.00 -0.06 0.00 2.84 0.00 0.00 34.83 37.64 1wmr s MET 509 CO -0.10 -1.19 0.99 -1.25 -0.65 0.00 0.00 175.02 172.82 1wmr s PRO 510 N 1.83 3.77 0.19 4.11 0.04 -1.25 -0.82 135.00 142.87 1wmr s PRO 510 Ca 0.16 0.81 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 1wmr s PRO 510 Cb -0.06 -2.13 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 1wmr s PRO 510 CO -0.07 -0.40 1.25 0.54 0.04 0.00 0.00 177.00 178.36 1wmr s VAL 511 N -2.88 3.42 0.28 -0.36 0.11 -1.26 -4.33 120.40 115.39 1wmr s VAL 511 Ca 0.56 1.18 0.11 0.00 -2.93 0.00 0.00 61.98 60.90 1wmr s VAL 511 Cb -0.10 -3.75 -0.05 0.00 -1.53 0.00 0.00 36.38 30.94 1wmr s VAL 511 CO 0.42 0.18 -0.15 0.26 -3.33 0.00 0.00 175.10 172.49 1wmr s TRP 512 N 0.07 2.39 0.09 1.54 0.52 -1.26 -4.95 118.94 117.33 1wmr s TRP 512 Ca 0.55 -0.32 0.05 0.00 0.02 0.00 0.00 56.10 56.39 1wmr s TRP 512 Cb -0.34 -1.07 -0.03 0.00 -1.15 0.00 0.00 33.47 30.87 1wmr s TRP 512 CO 0.37 0.68 -0.13 0.71 0.02 0.00 0.00 176.95 178.61 1wmr s TYR 513 N -2.48 1.17 0.33 -1.98 2.02 -0.60 -0.14 117.35 115.67 1wmr s TYR 513 Ca 0.31 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 56.19 1wmr s TYR 513 Cb -0.05 -0.64 -0.11 0.00 -0.40 0.00 0.00 41.96 40.76 1wmr s TYR 513 CO 0.16 0.05 1.40 0.34 -1.57 0.00 0.00 175.55 175.93 1wmr s ASP 514 N -2.04 6.60 0.23 2.29 -1.08 0.16 -2.07 116.67 120.76 1wmr s ASP 514 Ca 0.01 2.81 -0.08 0.00 -0.52 0.00 0.00 52.55 54.78 1wmr s ASP 514 Cb -0.07 -2.65 0.23 0.00 -1.46 0.00 0.00 42.92 38.97 1wmr s ASP 514 CO 0.02 -0.69 1.89 0.25 0.52 0.00 0.00 175.17 177.16 1wmr h LEU 515 N 3.58 0.97 0.01 -1.34 5.85 -0.48 -2.67 115.31 121.22 1wmr h LEU 515 Ca -0.49 -0.02 -0.41 0.00 0.84 0.00 0.00 57.88 57.81 1wmr h LEU 515 Cb 1.23 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 1wmr h LEU 515 CO 0.67 0.69 -2.31 0.59 -0.34 0.00 0.00 178.44 177.75 1wmr n ASN 516 N -4.51 1.97 0.09 1.25 5.03 -1.26 -4.70 115.26 113.13 1wmr n ASN 516 Ca 0.10 0.21 -0.18 0.00 0.87 0.00 0.00 54.58 55.58 1wmr n ASN 516 Cb 0.05 -0.73 -0.11 0.00 -1.02 0.00 0.00 39.78 37.97 1wmr n ASN 516 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 1wmr h ASN 517 N -0.63 0.63 0.00 6.41 2.35 -1.95 -3.47 115.58 118.91 1wmr h ASN 517 Ca -0.60 -0.60 0.00 0.00 -0.55 0.00 0.00 56.30 54.55 1wmr h ASN 517 Cb 1.69 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.86 1wmr h ASN 517 CO -0.26 1.43 0.00 0.61 -1.65 0.00 0.00 177.43 177.56 1wmr n GLY 518 N 1.33 0.75 3.76 2.83 0.00 -1.01 -4.97 105.19 107.88 1wmr n GLY 518 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1wmr n GLY 518 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wmr s LYS 519 N -0.44 4.43 -0.18 1.61 2.20 -1.26 -4.53 119.74 121.57 1wmr s LYS 519 Ca 0.00 2.09 -0.29 0.00 -0.36 0.00 0.00 55.97 57.41 1wmr s LYS 519 Cb 0.00 -3.12 -0.01 0.00 -1.51 0.00 0.00 37.83 33.19 1wmr s LYS 519 CO 0.00 -0.10 1.25 -1.14 -0.36 0.00 0.00 175.35 175.00 1wmr s GLN 520 N -1.48 4.21 0.45 4.03 0.74 -1.26 0.39 119.66 126.73 1wmr s GLN 520 Ca 0.49 1.60 -0.25 0.00 0.05 0.00 0.00 55.36 57.25 1wmr s GLN 520 Cb -0.37 -3.76 -0.09 0.00 1.10 0.00 0.00 33.01 29.89 1wmr s GLN 520 CO 0.48 -0.73 1.44 -0.89 -0.55 0.00 0.00 175.29 175.03 1wmr n ILE 521 N 5.44 2.75 -4.05 -2.34 2.08 0.80 -4.94 119.36 119.10 1wmr n ILE 521 Ca 0.14 -0.50 -0.26 0.00 0.56 0.00 0.00 62.75 62.69 1wmr n ILE 521 Cb 0.45 -1.85 -0.05 0.00 -0.75 0.00 0.00 39.64 37.44 1wmr n ILE 521 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1wmr s THR 522 N -1.19 4.70 -0.07 1.39 -1.32 -1.26 -4.64 115.64 113.25 1wmr s THR 522 Ca 0.61 -0.98 -0.01 0.00 -1.21 0.00 0.00 61.69 60.09 1wmr s THR 522 Cb -0.45 -3.41 0.03 0.00 -1.51 0.00 0.00 72.50 67.16 1wmr s THR 522 CO 0.58 -0.10 -0.01 -0.69 -2.21 0.00 0.00 174.62 172.19 1wmr s VAL 523 N -1.75 0.44 -0.00 5.08 1.01 -1.26 -0.63 120.40 123.29 1wmr s VAL 523 Ca 0.32 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1wmr s VAL 523 Cb -0.10 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 1wmr s VAL 523 CO 0.25 0.27 -0.06 0.42 0.00 0.00 0.00 175.10 175.97 1wmr s THR 524 N 1.89 0.49 -1.19 3.92 -4.23 0.29 -4.73 115.64 112.09 1wmr s THR 524 Ca 0.04 -0.29 -0.13 0.00 -1.18 0.00 0.00 61.69 60.13 1wmr s THR 524 Cb -0.12 -0.42 -0.01 0.00 1.34 0.00 0.00 72.50 73.28 1wmr s THR 524 CO -0.05 0.12 0.74 -0.67 -0.54 0.00 0.00 174.62 174.22 1wmr n ASP 525 N 2.89 -4.06 -4.49 3.99 4.64 -1.22 -1.37 116.55 116.92 1wmr n ASP 525 Ca -0.13 -0.95 -0.42 0.00 -1.38 0.00 0.00 54.79 51.90 1wmr n ASP 525 Cb 0.58 -3.63 -0.10 0.00 -1.04 0.00 0.00 41.12 36.93 1wmr n ASP 525 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 1wmr s PHE 526 N -3.56 3.21 0.01 -0.67 5.36 0.43 -2.52 117.98 120.25 1wmr s PHE 526 Ca 0.33 -0.36 0.07 0.00 -0.96 0.00 0.00 56.93 56.01 1wmr s PHE 526 Cb -0.11 -2.68 -0.03 0.00 -0.34 0.00 0.00 43.02 39.87 1wmr s PHE 526 CO 0.84 -0.55 -0.20 -1.54 -1.46 0.00 0.00 175.22 172.31 1wmr s SER 527 N 1.74 3.65 -0.10 6.13 1.04 -0.45 0.51 113.70 126.21 1wmr s SER 527 Ca 0.09 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.14 1wmr s SER 527 Cb -0.18 -0.58 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1wmr s SER 527 CO 0.11 0.28 -0.22 -0.63 0.98 0.00 0.00 173.24 173.77 1wmr s ILE 528 N -0.82 1.91 -0.07 -1.02 1.01 0.64 -0.74 121.20 122.11 1wmr s ILE 528 Ca 0.13 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 1wmr s ILE 528 Cb -0.10 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.72 1wmr s ILE 528 CO 0.03 0.53 0.17 -0.70 0.00 0.00 0.00 174.94 174.96 1wmr s GLU 529 N 0.50 0.18 -0.90 2.79 2.12 0.07 -2.34 118.70 121.13 1wmr s GLU 529 Ca -0.16 0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.44 1wmr s GLU 529 Cb -0.17 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.26 1wmr s GLU 529 CO 0.06 -0.05 0.05 0.41 -0.54 0.00 0.00 175.26 175.19 1wmr n GLY 530 N 3.26 -0.05 3.65 -1.50 0.00 -1.26 0.09 105.19 109.38 1wmr n GLY 530 Ca -0.15 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1wmr n GLY 530 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wmr s PHE 531 N -2.59 3.35 0.04 1.61 5.99 -1.26 -1.89 117.98 123.23 1wmr s PHE 531 Ca 0.03 1.06 0.05 0.00 0.00 0.00 0.00 56.93 58.06 1wmr s PHE 531 Cb -0.01 -2.95 -0.02 0.00 0.00 0.00 0.00 43.02 40.04 1wmr s PHE 531 CO 0.03 -0.30 -0.13 0.95 -0.00 0.00 0.00 175.22 175.77 1wmr s THR 532 N 2.41 1.05 -0.23 0.12 -4.23 -0.51 0.28 115.64 114.54 1wmr s THR 532 Ca 0.33 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 1wmr s THR 532 Cb -0.16 -0.97 0.06 0.00 1.34 0.00 0.00 72.50 72.77 1wmr s THR 532 CO 0.09 -0.06 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.37 1wmr s VAL 533 N -0.93 1.52 0.00 2.29 1.01 -0.45 -1.00 120.40 122.84 1wmr s VAL 533 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1wmr s VAL 533 Cb -0.08 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1wmr s VAL 533 CO 0.01 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1wmr n GLY 534 N 4.69 2.98 1.64 4.51 0.00 0.49 -1.51 105.19 117.98 1wmr n GLY 534 Ca -0.12 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 1wmr n GLY 534 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wmr n ASN 535 N 6.57 3.36 -4.02 1.61 2.04 -1.26 -4.88 115.26 118.68 1wmr n ASN 535 Ca 0.00 -3.74 -0.31 0.00 -0.44 0.00 0.00 54.58 50.09 1wmr n ASN 535 Cb 0.00 -0.71 -0.15 0.00 -2.53 0.00 0.00 39.78 36.38 1wmr n ASN 535 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1wmr s THR 536 N -3.46 1.85 0.16 5.53 2.01 -0.57 -5.10 115.64 116.06 1wmr s THR 536 Ca 0.50 -1.32 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1wmr s THR 536 Cb 0.44 -1.97 -0.08 0.00 0.01 0.00 0.00 72.50 70.90 1wmr s THR 536 CO 0.03 0.04 1.28 0.28 -0.69 0.00 0.00 174.62 175.57 1wmr s THR 537 N 1.27 3.42 -0.06 -0.82 -1.32 -1.26 -1.34 115.64 115.53 1wmr s THR 537 Ca -0.05 1.12 -0.18 0.00 -1.21 0.00 0.00 61.69 61.37 1wmr s THR 537 Cb -0.18 -3.72 -0.05 0.00 -1.51 0.00 0.00 72.50 67.04 1wmr s THR 537 CO -0.07 0.14 0.48 -0.63 -2.21 0.00 0.00 174.62 172.33 1wmr s ILE 538 N 0.39 5.09 0.44 5.08 1.09 0.14 -4.94 121.20 128.49 1wmr s ILE 538 Ca 0.58 0.97 0.03 0.00 -1.10 0.00 0.00 60.65 61.13 1wmr s ILE 538 Cb -0.35 -3.81 -0.01 0.00 -1.06 0.00 0.00 42.46 37.23 1wmr s ILE 538 CO 0.35 0.42 0.11 1.07 -0.10 0.00 0.00 174.94 176.78 1wmr n THR 539 N 2.97 0.00 -0.32 2.92 5.66 -1.26 -4.57 114.28 119.67 1wmr n THR 539 Ca -0.09 -2.41 0.03 0.00 -3.05 0.00 0.00 64.05 58.53 1wmr n THR 539 Cb 0.52 0.76 0.17 0.00 -1.55 0.00 0.00 70.33 70.22 1wmr n THR 539 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wmr h ALA 540 N 1.56 1.26 0.00 1.79 0.00 -1.94 -1.35 119.26 120.58 1wmr h ALA 540 Ca -0.35 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1wmr h ALA 540 Cb 1.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1wmr h ALA 540 CO 0.56 0.23 -0.47 0.66 0.00 0.00 0.00 179.25 180.23 1wmr h SER 541 N 0.94 0.00 -0.30 0.00 4.64 -2.00 -3.17 113.55 113.66 1wmr h SER 541 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1wmr h SER 541 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1wmr h SER 541 CO -0.22 0.47 0.00 -0.46 -0.87 0.00 0.00 176.83 175.75 1wmr n ASN 542 N -3.79 3.55 -0.14 4.97 0.23 -1.08 -4.63 115.26 114.37 1wmr n ASN 542 Ca -0.01 -2.63 -0.03 0.00 -0.53 0.00 0.00 54.58 51.38 1wmr n ASN 542 Cb 0.52 -0.43 0.05 0.00 -2.08 0.00 0.00 39.78 37.84 1wmr n ASN 542 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wmr h ALA 543 N 1.94 0.50 0.03 -2.53 0.00 -1.22 0.74 119.26 118.72 1wmr h ALA 543 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1wmr h ALA 543 Cb 1.18 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1wmr h ALA 543 CO 0.14 -0.32 -0.76 0.00 0.00 0.00 0.00 179.25 178.31 1wmr h ALA 544 N 1.35 0.12 -0.86 0.00 0.00 -1.83 0.60 119.26 118.65 1wmr h ALA 544 Ca 0.23 -0.88 0.08 0.00 0.00 0.00 0.00 54.91 54.34 1wmr h ALA 544 Cb 0.29 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 1wmr h ALA 544 CO -0.30 0.43 -0.57 1.03 0.00 0.00 0.00 179.25 179.84 1wmr h SER 545 N -0.83 -2.05 0.00 0.00 0.87 -1.79 -2.40 113.55 107.35 1wmr h SER 545 Ca -0.19 0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1wmr h SER 545 Cb 1.29 0.90 -0.00 0.00 -0.44 0.00 0.00 62.40 64.15 1wmr h SER 545 CO -0.05 -0.27 -1.07 0.55 -0.53 0.00 0.00 176.83 175.45 1wmr n VAL 546 N -5.29 0.04 0.57 2.23 3.14 0.17 -4.61 118.33 114.57 1wmr n VAL 546 Ca 0.01 -0.04 0.13 0.00 -2.96 0.00 0.00 64.34 61.48 1wmr n VAL 546 Cb 0.29 -0.13 0.38 0.00 -1.06 0.00 0.00 33.84 33.32 1wmr n VAL 546 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1wmr h GLY 547 N 0.26 0.00 -4.20 7.55 0.00 -0.48 -3.47 103.07 102.72 1wmr h GLY 547 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.94 1wmr h GLY 547 CO 0.00 0.00 -0.56 0.54 0.00 0.00 0.00 176.54 176.52 1wmr n ARG 548 N -2.37 -4.68 -3.33 4.80 1.74 0.02 -4.80 116.66 108.04 1wmr n ARG 548 Ca 0.05 0.84 -0.46 0.00 -0.77 0.00 0.00 57.85 57.51 1wmr n ARG 548 Cb 0.44 -5.55 -0.04 0.00 -1.02 0.00 0.00 32.46 26.29 1wmr n ARG 548 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1wmr s ILE 549 N -3.14 5.38 -0.02 0.55 1.01 -0.15 -0.45 121.20 124.38 1wmr s ILE 549 Ca 0.29 -2.02 0.03 0.00 0.00 0.00 0.00 60.65 58.95 1wmr s ILE 549 Cb -0.13 -4.38 0.04 0.00 0.01 0.00 0.00 42.46 38.00 1wmr s ILE 549 CO 0.36 -0.95 0.88 -0.90 0.00 0.00 0.00 174.94 174.33 1wmr n ASP 550 N 4.57 0.45 -0.05 3.58 5.68 -1.16 -3.38 116.55 126.25 1wmr n ASP 550 Ca 0.00 -1.87 0.07 0.00 -0.50 0.00 0.00 54.79 52.50 1wmr n ASP 550 Cb 0.44 -0.16 0.09 0.00 -1.14 0.00 0.00 41.12 40.35 1wmr n ASP 550 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wmr n GLY 551 N -0.23 4.20 3.66 6.12 0.00 0.12 -5.00 105.19 114.06 1wmr n GLY 551 Ca 0.02 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1wmr n GLY 551 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wmr s VAL 552 N -2.24 4.41 0.34 1.61 1.01 -1.26 -1.32 120.40 122.95 1wmr s VAL 552 Ca 0.21 1.70 -0.28 0.00 0.00 0.00 0.00 61.98 63.61 1wmr s VAL 552 Cb 0.19 -4.10 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 1wmr s VAL 552 CO 0.02 -0.16 1.24 -0.67 0.00 0.00 0.00 175.10 175.53 1wmr n ASP 553 N 6.54 2.51 0.32 3.32 2.03 0.00 -4.69 116.55 126.57 1wmr n ASP 553 Ca 0.13 1.20 0.20 0.00 0.52 0.00 0.00 54.79 56.84 1wmr n ASP 553 Cb 0.45 -1.45 1.07 0.00 -0.72 0.00 0.00 41.12 40.47 1wmr n ASP 553 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wmr h PRO 554 N 2.42 0.00 0.00 -0.67 0.13 -1.93 0.11 132.00 132.06 1wmr h PRO 554 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 1wmr h PRO 554 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1wmr h PRO 554 CO 0.62 0.00 -0.37 0.00 -0.23 0.00 0.00 178.00 178.02 1wmr h ALA 555 N 1.85 0.82 0.00 -0.56 0.00 -1.97 -3.25 119.26 116.15 1wmr h ALA 555 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wmr h ALA 555 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wmr h ALA 555 CO -0.00 0.46 -1.70 0.66 0.00 0.00 0.00 179.25 178.67 1wmr n TYR 556 N -3.27 0.00 -0.31 0.00 0.53 0.19 -4.58 117.16 109.71 1wmr n TYR 556 Ca 0.02 0.00 0.17 0.00 -1.02 0.00 0.00 57.90 57.07 1wmr n TYR 556 Cb 0.62 -0.36 0.36 0.00 -1.03 0.00 0.00 39.34 38.93 1wmr n TYR 556 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1wmr h ALA 557 N 2.15 1.51 0.00 -0.72 0.00 -1.07 0.38 119.26 121.51 1wmr h ALA 557 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1wmr h ALA 557 Cb 0.83 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1wmr h ALA 557 CO 0.00 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.13 1wmr n GLY 558 N -1.36 -0.80 0.00 0.00 0.00 -1.26 -2.73 105.19 99.04 1wmr n GLY 558 Ca 0.25 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.20 1wmr n GLY 558 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wmr n SER 559 N -1.02 0.81 -4.63 1.61 7.64 0.13 -4.87 113.62 113.29 1wmr n SER 559 Ca 0.18 -0.76 -0.39 0.00 1.01 0.00 0.00 58.87 58.91 1wmr n SER 559 Cb 0.09 1.09 -0.08 0.00 -1.01 0.00 0.00 64.21 64.30 1wmr n SER 559 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1wmr s VAL 560 N -2.53 5.17 -0.16 0.44 -7.23 -1.11 -0.43 120.40 114.55 1wmr s VAL 560 Ca 0.04 0.65 0.01 0.00 -1.81 0.00 0.00 61.98 60.87 1wmr s VAL 560 Cb 0.11 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.34 1wmr s VAL 560 CO 0.64 0.17 -0.19 -1.00 -0.31 0.00 0.00 175.10 174.41 1wmr s HIS 561 N 1.89 2.74 -0.82 2.82 3.76 0.18 -4.97 115.29 120.90 1wmr s HIS 561 Ca 0.17 -1.30 -0.18 0.00 -0.15 0.00 0.00 55.06 53.60 1wmr s HIS 561 Cb -0.15 -1.88 0.14 0.00 1.11 0.00 0.00 32.58 31.80 1wmr s HIS 561 CO 0.09 -0.61 0.94 0.71 -0.85 0.00 0.00 174.74 175.02 1wmr s TYR 562 N 0.96 3.23 0.50 1.40 1.51 -1.26 -0.26 117.35 123.42 1wmr s TYR 562 Ca -0.03 -1.40 -0.04 0.00 -1.01 0.00 0.00 57.07 54.59 1wmr s TYR 562 Cb -0.15 -4.11 -0.01 0.00 -0.11 0.00 0.00 41.96 37.58 1wmr s TYR 562 CO -0.04 -1.34 0.78 0.96 -1.11 0.00 0.00 175.55 174.80 1wmr s ILE 563 N 2.15 4.23 0.00 2.71 -4.36 -0.99 -4.78 121.20 120.16 1wmr s ILE 563 Ca 0.24 -0.10 0.00 0.00 -0.26 0.00 0.00 60.65 60.53 1wmr s ILE 563 Cb -0.11 -3.62 0.00 0.00 1.25 0.00 0.00 42.46 39.99 1wmr s ILE 563 CO -0.05 -0.56 0.00 -0.67 0.24 0.00 0.00 174.94 173.91