#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr1 s ILE 7 N 0.00 0.09 0.07 -0.39 2.07 -0.65 -0.68 121.20 121.71 2wr1 s ILE 7 Ca 0.00 0.02 0.07 0.00 -1.41 0.00 0.00 60.65 59.33 2wr1 s ILE 7 Cb 0.00 -0.12 -0.03 0.00 0.13 0.00 0.00 42.46 42.44 2wr1 s ILE 7 CO 0.00 0.06 -0.20 0.00 -1.91 0.00 0.00 174.94 172.89 2wr1 s ILE 9 N -0.99 5.32 0.28 0.00 -1.09 -0.00 -1.03 121.20 123.69 2wr1 s ILE 9 Ca 0.06 0.47 -0.04 0.00 -2.23 0.00 0.00 60.65 58.91 2wr1 s ILE 9 Cb -0.09 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2wr1 s ILE 9 CO 0.03 0.50 0.38 -0.83 -1.23 0.00 0.00 174.94 173.79 2wr1 s GLY 10 N -0.29 1.31 0.06 6.18 0.00 0.15 -4.79 107.32 109.93 2wr1 s GLY 10 Ca 0.17 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.45 2wr1 s GLY 10 CO 0.05 -1.04 -0.05 -2.52 0.00 0.00 0.00 173.10 169.55 2wr1 s TYR 11 N -3.60 0.61 0.40 1.90 -0.85 -1.26 -1.46 117.35 113.10 2wr1 s TYR 11 Ca 0.31 -0.90 -0.26 0.00 -0.52 0.00 0.00 57.07 55.70 2wr1 s TYR 11 Cb 0.01 -0.40 -0.09 0.00 0.38 0.00 0.00 41.96 41.86 2wr1 s TYR 11 CO 0.16 -0.26 1.32 -1.58 -1.52 0.00 0.00 175.55 173.68 2wr1 s HIS 12 N -3.27 2.80 0.14 -3.49 5.65 0.70 -0.01 115.29 117.81 2wr1 s HIS 12 Ca 0.04 1.39 0.01 0.00 0.25 0.00 0.00 55.06 56.75 2wr1 s HIS 12 Cb 0.03 -3.71 -0.04 0.00 -1.18 0.00 0.00 32.58 27.68 2wr1 s HIS 12 CO -0.06 -2.18 -0.01 0.00 -0.65 0.00 0.00 174.74 171.84 2wr1 s ALA 13 N -1.24 1.15 0.00 1.58 0.00 -0.94 -4.49 121.76 117.82 2wr1 s ALA 13 Ca 0.56 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2wr1 s ALA 13 Cb -0.39 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2wr1 s ALA 13 CO 0.51 -0.33 0.00 0.27 0.00 0.00 0.00 175.76 176.21 2wr1 n ASN 14 N -0.16 0.00 -1.67 0.00 0.23 -1.26 -4.08 115.26 108.32 2wr1 n ASN 14 Ca -0.08 -0.32 0.08 0.00 -0.53 0.00 0.00 54.58 53.74 2wr1 n ASN 14 Cb 0.63 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.69 2wr1 n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2wr1 n ASN 15 N -0.61 4.98 -4.77 0.53 6.94 -1.26 -4.71 115.26 116.37 2wr1 n ASN 15 Ca 0.00 -2.59 -0.37 0.00 -0.02 0.00 0.00 54.58 51.60 2wr1 n ASN 15 Cb 0.00 -0.61 -0.00 0.00 -2.36 0.00 0.00 39.78 36.81 2wr1 n ASN 15 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2wr1 s SER 16 N -0.84 6.05 -0.00 0.53 0.15 -1.26 -4.94 113.70 113.39 2wr1 s SER 16 Ca 0.51 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.55 2wr1 s SER 16 Cb 0.35 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2wr1 s SER 16 CO 0.21 -1.00 0.96 0.35 1.20 0.00 0.00 173.24 174.96 2wr1 n THR 17 N -0.52 0.94 -1.75 6.45 -2.24 -1.26 -4.85 114.28 111.05 2wr1 n THR 17 Ca 0.07 -0.94 -0.42 0.00 -2.27 0.00 0.00 64.05 60.50 2wr1 n THR 17 Cb 0.47 0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 2wr1 n THR 17 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wr1 s GLU 18 N -0.95 4.11 -0.03 -0.78 0.41 -1.26 -4.89 118.70 115.30 2wr1 s GLU 18 Ca 0.01 2.61 0.03 0.00 -0.41 0.00 0.00 54.97 57.21 2wr1 s GLU 18 Cb 0.00 -3.03 -0.03 0.00 -1.78 0.00 0.00 34.13 29.29 2wr1 s GLU 18 CO 0.00 -0.68 -0.11 0.15 -0.49 0.00 0.00 175.26 174.12 2wr1 s LYS 19 N -0.03 2.52 0.19 1.61 -0.14 -1.26 -1.22 119.74 121.41 2wr1 s LYS 19 Ca 0.67 -0.70 0.05 0.00 -1.36 0.00 0.00 55.97 54.62 2wr1 s LYS 19 Cb -0.49 -2.43 -0.05 0.00 -1.68 0.00 0.00 37.83 33.18 2wr1 s LYS 19 CO 0.44 0.62 -0.08 0.14 -0.76 0.00 0.00 175.35 175.71 2wr1 s VAL 20 N -0.84 1.25 0.08 3.17 -7.23 0.47 -4.91 120.40 112.39 2wr1 s VAL 20 Ca 0.13 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 2wr1 s VAL 20 Cb -0.11 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2wr1 s VAL 20 CO 0.03 -0.58 0.03 -1.81 -0.31 0.00 0.00 175.10 172.46 2wr1 s ASP 21 N -3.25 5.23 0.35 4.85 1.01 -1.26 -0.41 116.67 123.20 2wr1 s ASP 21 Ca 0.22 -0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.42 2wr1 s ASP 21 Cb 0.03 -1.33 -0.05 0.00 1.01 0.00 0.00 42.92 42.59 2wr1 s ASP 21 CO 0.05 0.19 0.09 0.42 0.21 0.00 0.00 175.17 176.12 2wr1 s THR 22 N -1.31 0.91 0.40 -1.27 -4.23 0.92 -4.45 115.64 106.61 2wr1 s THR 22 Ca 0.26 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.87 2wr1 s THR 22 Cb -0.12 -2.61 0.30 0.00 1.34 0.00 0.00 72.50 71.41 2wr1 s THR 22 CO 0.19 0.00 1.98 0.40 -0.54 0.00 0.00 174.62 176.65 2wr1 h ILE 23 N 2.02 0.97 0.00 2.99 1.08 -1.74 -3.06 117.51 119.78 2wr1 h ILE 23 Ca -0.39 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 2wr1 h ILE 23 Cb 1.26 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2wr1 h ILE 23 CO 0.64 0.10 -1.68 0.18 -0.69 0.00 0.00 178.15 176.71 2wr1 n LEU 24 N -4.48 0.27 -3.78 1.44 4.77 -1.26 -5.01 117.00 108.95 2wr1 n LEU 24 Ca 0.09 0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 2wr1 n LEU 24 Cb 0.27 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.22 2wr1 n LEU 24 CO 0.34 -0.04 -0.08 -0.70 -1.33 0.00 0.00 177.39 175.57 2wr1 s GLU 25 N -3.46 0.30 0.11 3.23 2.12 -1.16 -5.16 118.70 114.68 2wr1 s GLU 25 Ca -0.05 0.38 0.03 0.00 0.36 0.00 0.00 54.97 55.68 2wr1 s GLU 25 Cb 0.13 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 2wr1 s GLU 25 CO 0.87 -0.05 0.18 1.03 -0.54 0.00 0.00 175.26 176.75 2wr1 s ARG 26 N 0.23 3.17 -1.39 4.30 1.81 -1.26 -0.05 118.95 125.76 2wr1 s ARG 26 Ca -0.01 -0.64 -0.03 0.00 -1.72 0.00 0.00 55.73 53.32 2wr1 s ARG 26 Cb -0.02 -2.85 0.02 0.00 -0.45 0.00 0.00 34.95 31.65 2wr1 s ARG 26 CO -0.00 0.55 0.70 0.09 -0.68 0.00 0.00 175.30 175.95 2wr1 n ASN 27 N -0.03 -1.78 -4.72 0.23 3.02 -1.06 -4.95 115.26 105.98 2wr1 n ASN 27 Ca -0.07 -0.86 -0.42 0.00 -0.03 0.00 0.00 54.58 53.21 2wr1 n ASN 27 Cb 0.53 -3.77 -0.04 0.00 -0.61 0.00 0.00 39.78 35.89 2wr1 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wr1 s VAL 28 N -3.65 4.45 0.04 2.41 1.01 0.46 -4.78 120.40 120.33 2wr1 s VAL 28 Ca 0.16 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.72 2wr1 s VAL 28 Cb -0.08 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2wr1 s VAL 28 CO 0.84 0.21 0.91 -0.89 0.00 0.00 0.00 175.10 176.17 2wr1 s THR 29 N 0.57 4.75 0.27 3.92 2.01 -1.26 -0.39 115.64 125.51 2wr1 s THR 29 Ca 0.52 1.93 0.08 0.00 0.31 0.00 0.00 61.69 64.53 2wr1 s THR 29 Cb -0.25 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 67.95 2wr1 s THR 29 CO 0.30 0.25 -0.09 0.68 -0.69 0.00 0.00 174.62 175.07 2wr1 s VAL 30 N 0.50 1.79 -0.04 3.82 -7.23 -0.35 -1.49 120.40 117.39 2wr1 s VAL 30 Ca 0.47 -2.17 0.15 0.00 -1.81 0.00 0.00 61.98 58.61 2wr1 s VAL 30 Cb -0.21 -2.38 0.04 0.00 0.56 0.00 0.00 36.38 34.39 2wr1 s VAL 30 CO 0.27 -0.35 1.49 0.71 -0.31 0.00 0.00 175.10 176.90 2wr1 h THR 31 N 2.30 0.99 -2.42 5.32 1.35 -1.47 -3.38 112.91 115.60 2wr1 h THR 31 Ca -0.40 -2.23 -0.08 0.00 -0.55 0.00 0.00 66.41 63.15 2wr1 h THR 31 Cb 1.23 2.37 -0.21 0.00 -1.73 0.00 0.00 68.15 69.81 2wr1 h THR 31 CO 0.66 0.53 -0.04 -1.00 -0.25 0.00 0.00 175.52 175.43 2wr1 s HIS 32 N -3.08 -0.53 0.14 4.73 3.76 -1.26 -4.75 115.29 114.31 2wr1 s HIS 32 Ca 0.03 1.10 -0.16 0.00 -0.15 0.00 0.00 55.06 55.88 2wr1 s HIS 32 Cb 0.09 0.24 0.03 0.00 1.11 0.00 0.00 32.58 34.05 2wr1 s HIS 32 CO 0.74 -0.41 0.41 0.00 -0.85 0.00 0.00 174.74 174.63 2wr1 s ALA 33 N -0.52 -0.84 -0.16 -1.40 0.00 -1.26 -1.68 121.76 115.90 2wr1 s ALA 33 Ca -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 2wr1 s ALA 33 Cb -0.03 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.86 2wr1 s ALA 33 CO 0.04 -0.67 -0.03 0.21 0.00 0.00 0.00 175.76 175.31 2wr1 s LYS 34 N -3.83 1.18 -0.06 0.00 2.47 0.88 -4.87 119.74 115.52 2wr1 s LYS 34 Ca 0.05 -0.41 -0.30 0.00 -1.56 0.00 0.00 55.97 53.75 2wr1 s LYS 34 Cb 0.01 -1.88 -0.03 0.00 -1.46 0.00 0.00 37.83 34.48 2wr1 s LYS 34 CO -0.09 -0.45 1.08 0.34 0.16 0.00 0.00 175.35 176.39 2wr1 s ASP 35 N 1.72 7.19 -0.04 1.43 -1.08 -1.26 -0.16 116.67 124.47 2wr1 s ASP 35 Ca 0.01 1.69 0.13 0.00 -0.52 0.00 0.00 52.55 53.85 2wr1 s ASP 35 Cb -0.15 -2.56 0.38 0.00 -1.46 0.00 0.00 42.92 39.13 2wr1 s ASP 35 CO -0.07 -0.46 1.32 2.30 0.52 0.00 0.00 175.17 178.77 2wr1 n ILE 36 N 4.41 1.27 -3.73 4.11 -5.35 -0.53 -4.92 119.36 114.62 2wr1 n ILE 36 Ca 0.09 -1.17 -0.37 0.00 -0.27 0.00 0.00 62.75 61.03 2wr1 n ILE 36 Cb 0.48 0.35 -0.12 0.00 -1.74 0.00 0.00 39.64 38.60 2wr1 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr1 s LEU 37 N -1.37 3.84 -0.15 7.28 2.96 -1.25 -3.28 118.68 126.71 2wr1 s LEU 37 Ca 0.29 -0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 2wr1 s LEU 37 Cb 0.18 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 2wr1 s LEU 37 CO 0.16 -0.16 1.15 -0.70 -1.32 0.00 0.00 176.35 175.47 2wr1 s GLU 38 N 1.55 4.30 0.00 1.98 2.56 0.11 -4.89 118.70 124.31 2wr1 s GLU 38 Ca 0.04 1.54 0.04 0.00 0.00 0.00 0.00 54.97 56.59 2wr1 s GLU 38 Cb -0.17 -3.65 0.03 0.00 2.00 0.00 0.00 34.13 32.35 2wr1 s GLU 38 CO 0.04 -0.57 0.63 1.63 -0.56 0.00 0.00 175.26 176.44 2wr1 n LYS 39 N 5.96 -0.38 -4.41 4.30 5.02 -1.26 -2.66 118.16 124.72 2wr1 n LYS 39 Ca 0.12 -0.76 -0.27 0.00 -2.02 0.00 0.00 58.31 55.39 2wr1 n LYS 39 Cb 0.46 -1.08 -0.12 0.00 -0.02 0.00 0.00 35.03 34.28 2wr1 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr1 s THR 40 N -0.34 2.27 0.23 -0.18 -4.23 -1.26 -4.89 115.64 107.23 2wr1 s THR 40 Ca 0.05 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2wr1 s THR 40 Cb 0.03 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 2wr1 s THR 40 CO 0.05 -0.09 0.17 -1.38 -0.54 0.00 0.00 174.62 172.82 2wr1 s HIS 41 N -1.57 1.25 -2.69 3.99 -3.43 -1.26 -4.74 115.29 106.84 2wr1 s HIS 41 Ca 0.19 -1.42 0.24 0.00 -0.80 0.00 0.00 55.06 53.27 2wr1 s HIS 41 Cb -0.08 -0.57 0.51 0.00 -1.43 0.00 0.00 32.58 31.01 2wr1 s HIS 41 CO 0.09 -0.69 1.44 0.27 -2.00 0.00 0.00 174.74 173.84 2wr1 n ASN 42 N -0.51 2.58 -0.05 7.38 0.23 -0.18 -4.92 115.26 119.79 2wr1 n ASN 42 Ca 0.03 -1.85 -0.01 0.00 -0.53 0.00 0.00 54.58 52.23 2wr1 n ASN 42 Cb 0.65 -0.06 -0.00 0.00 -2.08 0.00 0.00 39.78 38.29 2wr1 n ASN 42 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr1 n GLY 43 N 1.32 0.36 3.36 4.83 0.00 -1.26 -4.85 105.19 108.95 2wr1 n GLY 43 Ca 0.17 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2wr1 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr1 s LYS 44 N -0.90 1.47 0.05 1.61 1.02 -1.26 -4.75 119.74 116.99 2wr1 s LYS 44 Ca 0.00 -1.24 -0.30 0.00 0.02 0.00 0.00 55.97 54.44 2wr1 s LYS 44 Cb 0.00 -1.84 -0.05 0.00 -0.52 0.00 0.00 37.83 35.42 2wr1 s LYS 44 CO 0.00 0.45 1.05 -0.51 -0.92 0.00 0.00 175.35 175.42 2wr1 s LEU 45 N -1.78 4.41 0.26 3.17 2.01 -1.26 -2.26 118.68 123.23 2wr1 s LEU 45 Ca 0.12 1.82 0.03 0.00 0.01 0.00 0.00 54.13 56.12 2wr1 s LEU 45 Cb -0.10 -3.58 -0.05 0.00 0.01 0.00 0.00 46.19 42.47 2wr1 s LEU 45 CO 0.05 -0.28 0.03 0.00 1.01 0.00 0.00 176.35 177.15 2wr1 s ARG 47 N -3.90 3.18 -0.24 0.00 0.52 -0.79 -4.67 118.95 113.04 2wr1 s ARG 47 Ca 0.32 1.58 -0.07 0.00 -0.52 0.00 0.00 55.73 57.04 2wr1 s ARG 47 Cb 0.07 -1.98 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 2wr1 s ARG 47 CO 0.11 -0.98 0.05 -1.17 0.02 0.00 0.00 175.30 173.33 2wr1 s LEU 48 N -4.09 3.34 -1.58 2.53 2.96 0.05 -1.81 118.68 120.08 2wr1 s LEU 48 Ca 0.72 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 54.32 2wr1 s LEU 48 Cb -0.24 -1.89 0.06 0.00 0.50 0.00 0.00 46.19 44.63 2wr1 s LEU 48 CO 0.31 -0.03 0.36 -1.20 -1.32 0.00 0.00 176.35 174.47 2wr1 n SER 49 N 4.90 -0.61 0.00 3.68 7.64 -1.13 -0.47 113.62 127.63 2wr1 n SER 49 Ca -0.17 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.58 2wr1 n SER 49 Cb 0.51 -2.28 0.00 0.00 -1.01 0.00 0.00 64.21 61.43 2wr1 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr1 n GLY 50 N -1.97 2.82 3.49 0.23 0.00 -1.26 -5.03 105.19 103.46 2wr1 n GLY 50 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2wr1 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr1 s ILE 51 N -2.21 3.94 0.79 -0.61 1.01 0.37 -5.01 121.20 119.49 2wr1 s ILE 51 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 2wr1 s ILE 51 Cb 0.00 -2.74 0.06 0.00 0.01 0.00 0.00 42.46 39.79 2wr1 s ILE 51 CO 0.00 0.47 1.09 -2.16 0.00 0.00 0.00 174.94 174.35 2wr1 s PRO 52 N 0.54 2.17 0.57 2.79 0.04 -1.26 -0.77 135.00 139.08 2wr1 s PRO 52 Ca -0.02 0.65 -0.14 0.00 0.04 0.00 0.00 61.00 61.53 2wr1 s PRO 52 Cb -0.14 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 2wr1 s PRO 52 CO 0.02 -1.56 1.00 -1.25 0.04 0.00 0.00 177.00 175.25 2wr1 s PRO 53 N -5.16 3.77 -0.07 0.56 0.05 -1.26 -1.77 135.00 131.12 2wr1 s PRO 53 Ca 0.60 0.84 -0.29 0.00 0.05 0.00 0.00 61.00 62.21 2wr1 s PRO 53 Cb -0.14 -2.11 -0.02 0.00 0.05 0.00 0.00 34.50 32.27 2wr1 s PRO 53 CO 0.54 -0.42 0.94 -1.17 0.05 0.00 0.00 177.00 176.95 2wr1 s LEU 54 N -4.64 4.29 -0.32 -3.56 2.96 -0.03 -4.89 118.68 112.50 2wr1 s LEU 54 Ca 0.57 1.50 -0.08 0.00 -0.22 0.00 0.00 54.13 55.90 2wr1 s LEU 54 Cb -0.10 -3.47 0.02 0.00 0.50 0.00 0.00 46.19 43.13 2wr1 s LEU 54 CO 0.43 -0.34 0.12 -1.61 -1.32 0.00 0.00 176.35 173.64 2wr1 s GLU 55 N 1.52 2.99 0.00 1.98 2.02 -1.26 -1.25 118.70 124.70 2wr1 s GLU 55 Ca 0.47 -0.94 0.24 0.00 0.02 0.00 0.00 54.97 54.76 2wr1 s GLU 55 Cb -0.19 -3.49 0.23 0.00 0.10 0.00 0.00 34.13 30.77 2wr1 s GLU 55 CO 0.21 -0.53 1.22 1.28 0.02 0.00 0.00 175.26 177.46 2wr1 n LEU 56 N 4.90 1.17 0.00 1.80 4.77 -0.81 -4.94 117.00 123.89 2wr1 n LEU 56 Ca -0.13 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 2wr1 n LEU 56 Cb 0.47 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2wr1 n LEU 56 CO 0.33 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2wr1 n GLY 57 N 1.44 2.96 2.25 -0.72 0.00 -1.26 -0.76 105.19 109.10 2wr1 n GLY 57 Ca 0.08 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2wr1 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr1 n ASP 58 N 5.93 6.03 -4.86 1.61 5.68 -1.26 -2.65 116.55 127.03 2wr1 n ASP 58 Ca 0.00 -3.77 -0.32 0.00 -0.50 0.00 0.00 54.79 50.21 2wr1 n ASP 58 Cb 0.00 -0.62 -0.05 0.00 -1.14 0.00 0.00 41.12 39.31 2wr1 n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wr1 s SER 60 N -2.26 5.48 0.29 0.00 1.04 -0.19 -4.82 113.70 113.25 2wr1 s SER 60 Ca 0.30 0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.95 2wr1 s SER 60 Cb -0.13 -1.25 0.43 0.00 0.10 0.00 0.00 66.02 65.17 2wr1 s SER 60 CO 0.23 -1.01 1.96 0.40 0.98 0.00 0.00 173.24 175.79 2wr1 h ILE 61 N 0.10 1.20 0.05 -1.02 2.04 -1.98 0.10 117.51 118.00 2wr1 h ILE 61 Ca -0.44 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 2wr1 h ILE 61 Cb 1.28 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2wr1 h ILE 61 CO 0.56 0.21 -0.03 0.00 0.00 0.00 0.00 178.15 178.89 2wr1 h ALA 62 N 1.47 -0.07 -0.57 1.87 0.00 -1.94 0.68 119.26 120.71 2wr1 h ALA 62 Ca 0.32 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.17 2wr1 h ALA 62 Cb -0.09 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.64 2wr1 h ALA 62 CO -0.08 -0.36 0.02 0.78 0.00 0.00 0.00 179.25 179.61 2wr1 h GLY 63 N -0.44 0.62 0.93 0.00 0.00 -1.65 0.67 103.07 103.21 2wr1 h GLY 63 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2wr1 h GLY 63 CO 0.01 -0.16 0.13 -0.25 0.00 0.00 0.00 176.54 176.27 2wr1 h TRP 64 N 0.14 0.37 0.07 5.60 7.01 -0.76 -1.00 115.95 127.39 2wr1 h TRP 64 Ca 0.29 -0.02 -0.27 0.00 2.11 0.00 0.00 58.89 61.01 2wr1 h TRP 64 Cb 0.46 -0.12 0.02 0.00 -2.10 0.00 0.00 29.16 27.42 2wr1 h TRP 64 CO -0.32 0.35 -1.13 -0.07 -2.79 0.00 0.00 178.44 174.47 2wr1 h LEU 65 N 0.29 0.72 -1.37 0.65 3.38 -0.07 -2.99 115.31 115.91 2wr1 h LEU 65 Ca 0.09 -0.64 -0.07 0.00 0.09 0.00 0.00 57.88 57.35 2wr1 h LEU 65 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2wr1 h LEU 65 CO -0.01 1.45 -0.31 -0.07 0.09 0.00 0.00 178.44 179.59 2wr1 h LEU 66 N 0.25 0.00 -0.19 1.67 3.38 -0.97 -3.45 115.31 115.99 2wr1 h LEU 66 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2wr1 h LEU 66 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 2wr1 h LEU 66 CO 0.21 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.66 2wr1 n GLY 67 N -0.57 1.18 3.60 0.83 0.00 -0.82 -1.15 105.19 108.25 2wr1 n GLY 67 Ca -0.02 -0.24 -0.56 0.00 0.00 0.00 0.00 46.02 45.20 2wr1 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr1 n ASN 68 N 0.53 1.31 0.24 1.61 2.85 -0.44 -0.48 115.26 120.87 2wr1 n ASN 68 Ca 0.00 1.13 0.14 0.00 -0.11 0.00 0.00 54.58 55.74 2wr1 n ASN 68 Cb 0.16 -1.09 0.79 0.00 1.24 0.00 0.00 39.78 40.87 2wr1 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr1 h PRO 69 N 4.59 0.00 0.00 1.20 0.11 -1.88 0.30 132.00 136.33 2wr1 h PRO 69 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wr1 h PRO 69 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 2wr1 h PRO 69 CO 0.79 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.97 2wr1 n GLU 70 N -4.10 0.01 -0.56 1.05 -0.58 -1.26 -2.48 120.64 112.71 2wr1 n GLU 70 Ca -0.01 0.17 0.10 0.00 -0.42 0.00 0.00 57.16 57.00 2wr1 n GLU 70 Cb 0.19 -1.52 0.34 0.00 -0.57 0.00 0.00 31.44 29.89 2wr1 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr1 h ASP 72 N 3.93 0.34 -0.95 0.00 3.32 -1.59 -3.23 116.42 118.25 2wr1 h ASP 72 Ca 0.00 -0.07 -0.61 0.00 0.02 0.00 0.00 57.03 56.37 2wr1 h ASP 72 Cb 1.36 -0.09 -0.13 0.00 0.22 0.00 0.00 39.33 40.70 2wr1 h ASP 72 CO 0.19 0.31 1.65 0.54 -1.72 0.00 0.00 179.24 180.21 2wr1 n ARG 73 N -4.85 3.60 -0.05 3.56 5.12 -1.26 -4.66 116.66 118.12 2wr1 n ARG 73 Ca -0.02 -2.81 -0.03 0.00 -1.93 0.00 0.00 57.85 53.06 2wr1 n ARG 73 Cb 0.06 -2.43 -0.01 0.00 -1.16 0.00 0.00 32.46 28.92 2wr1 n ARG 73 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2wr1 h LEU 74 N 5.09 0.00 -1.30 0.55 5.85 -1.93 -3.51 115.31 120.06 2wr1 h LEU 74 Ca 0.58 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.30 2wr1 h LEU 74 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2wr1 h LEU 74 CO 1.21 0.50 0.00 0.18 -0.34 0.00 0.00 178.44 179.99 2wr1 n LEU 75 N -3.85 -0.87 -4.29 2.25 4.77 -1.26 -5.03 117.00 108.71 2wr1 n LEU 75 Ca -0.05 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.54 2wr1 n LEU 75 Cb 0.17 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 2wr1 n LEU 75 CO 0.07 0.00 -0.16 -0.94 -1.33 0.00 0.00 177.39 175.03 2wr1 s SER 76 N -0.15 5.56 0.83 -1.43 1.04 -1.26 -4.78 113.70 113.51 2wr1 s SER 76 Ca 0.00 -1.29 -0.14 0.00 0.48 0.00 0.00 55.95 55.00 2wr1 s SER 76 Cb 0.00 -1.96 0.05 0.00 0.10 0.00 0.00 66.02 64.21 2wr1 s SER 76 CO 0.00 -0.44 0.85 1.33 0.98 0.00 0.00 173.24 175.96 2wr1 n VAL 77 N 4.90 1.31 1.26 5.02 0.24 -1.26 -4.91 118.33 124.89 2wr1 n VAL 77 Ca -0.11 -0.23 0.14 0.00 -2.04 0.00 0.00 64.34 62.10 2wr1 n VAL 77 Cb 0.44 -0.94 0.52 0.00 -1.47 0.00 0.00 33.84 32.39 2wr1 n VAL 77 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2wr1 n PRO 78 N -2.41 0.50 -3.68 7.34 -0.05 -1.26 -4.84 135.00 130.60 2wr1 n PRO 78 Ca 0.11 -0.20 -0.12 0.00 -0.05 0.00 0.00 63.50 63.24 2wr1 n PRO 78 Cb 0.51 -1.50 -0.09 0.00 -0.05 0.00 0.00 33.50 32.38 2wr1 n PRO 78 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 2wr1 s GLU 79 N -2.63 0.60 0.03 0.54 2.12 -1.26 -0.99 118.70 117.11 2wr1 s GLU 79 Ca 0.23 0.85 -0.17 0.00 0.36 0.00 0.00 54.97 56.24 2wr1 s GLU 79 Cb 0.19 0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.82 2wr1 s GLU 79 CO 0.52 -0.11 0.39 1.67 -0.54 0.00 0.00 175.26 177.20 2wr1 s TRP 80 N 0.77 -0.24 -0.33 5.30 -2.14 -0.96 -4.59 118.94 116.74 2wr1 s TRP 80 Ca -0.04 0.22 0.15 0.00 2.66 0.00 0.00 56.10 59.10 2wr1 s TRP 80 Cb -0.05 0.19 -0.20 0.00 -3.10 0.00 0.00 33.47 30.31 2wr1 s TRP 80 CO -0.06 -0.54 0.47 -1.13 -2.66 0.00 0.00 176.95 173.03 2wr1 n SER 81 N 0.63 1.14 -3.42 -2.66 3.41 -0.73 -1.99 113.62 110.01 2wr1 n SER 81 Ca -0.19 -0.39 -0.03 0.00 -0.26 0.00 0.00 58.87 58.00 2wr1 n SER 81 Cb 0.59 1.38 0.01 0.00 -0.26 0.00 0.00 64.21 65.93 2wr1 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr1 s TYR 82 N -2.75 0.03 -0.05 7.33 -0.85 -1.24 -4.70 117.35 115.11 2wr1 s TYR 82 Ca -0.00 -0.42 0.05 0.00 -0.52 0.00 0.00 57.07 56.17 2wr1 s TYR 82 Cb 0.10 0.69 -0.01 0.00 0.38 0.00 0.00 41.96 43.13 2wr1 s TYR 82 CO 0.62 -0.93 -0.21 0.42 -1.52 0.00 0.00 175.55 173.93 2wr1 s ILE 83 N -2.43 1.73 -0.16 -3.49 1.01 -0.88 -0.85 121.20 116.13 2wr1 s ILE 83 Ca 0.19 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 2wr1 s ILE 83 Cb -0.02 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 2wr1 s ILE 83 CO 0.05 0.49 -0.09 -0.69 0.00 0.00 0.00 174.94 174.70 2wr1 s VAL 84 N -0.01 3.27 0.10 2.92 1.01 -0.38 0.27 120.40 127.59 2wr1 s VAL 84 Ca -0.05 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.43 2wr1 s VAL 84 Cb -0.13 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2wr1 s VAL 84 CO 0.03 0.49 -0.17 -1.61 0.00 0.00 0.00 175.10 173.85 2wr1 s GLU 85 N 0.73 1.00 0.83 2.72 2.02 -0.56 -1.93 118.70 123.51 2wr1 s GLU 85 Ca -0.04 -1.12 -0.11 0.00 0.02 0.00 0.00 54.97 53.72 2wr1 s GLU 85 Cb -0.15 -1.06 0.10 0.00 0.10 0.00 0.00 34.13 33.12 2wr1 s GLU 85 CO 0.02 0.23 1.14 0.15 0.02 0.00 0.00 175.26 176.82 2wr1 s LYS 86 N -2.08 1.63 0.25 1.61 1.02 -1.08 -1.01 119.74 120.07 2wr1 s LYS 86 Ca 0.04 1.48 -0.06 0.00 0.02 0.00 0.00 55.97 57.46 2wr1 s LYS 86 Cb -0.09 -1.80 0.29 0.00 -0.52 0.00 0.00 37.83 35.71 2wr1 s LYS 86 CO 0.03 -2.17 1.90 1.49 -0.92 0.00 0.00 175.35 175.69 2wr1 h GLU 87 N -1.30 1.18 -2.97 1.68 4.57 -1.89 -3.36 114.58 112.49 2wr1 h GLU 87 Ca -0.44 -0.07 -0.58 0.00 -1.18 0.00 0.00 59.36 57.09 2wr1 h GLU 87 Cb 1.26 -0.27 -0.40 0.00 -0.16 0.00 0.00 28.75 29.19 2wr1 h GLU 87 CO 0.46 0.78 -0.78 -0.80 -1.18 0.00 0.00 179.01 177.49 2wr1 s ASN 88 N -5.99 3.51 0.31 1.04 0.01 -1.26 -5.07 114.94 107.49 2wr1 s ASN 88 Ca -0.13 -2.00 -0.30 0.00 -0.71 0.00 0.00 52.86 49.73 2wr1 s ASN 88 Cb 0.18 -0.67 -0.12 0.00 0.41 0.00 0.00 41.25 41.06 2wr1 s ASN 88 CO 0.81 -0.35 1.54 -2.65 -1.51 0.00 0.00 177.10 174.94 2wr1 n PRO 89 N 4.34 2.61 0.06 -0.60 -0.02 -1.26 -4.94 135.00 135.19 2wr1 n PRO 89 Ca 0.04 0.92 -0.15 0.00 -2.02 0.00 0.00 63.50 62.29 2wr1 n PRO 89 Cb 0.38 -2.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.13 2wr1 n PRO 89 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wr1 h VAL 90 N 3.18 1.36 -3.57 -1.45 2.07 -1.74 -3.44 116.25 112.66 2wr1 h VAL 90 Ca -0.48 -2.39 -0.70 0.00 0.82 0.00 0.00 66.70 63.96 2wr1 h VAL 90 Cb 1.24 2.41 -0.31 0.00 -1.52 0.00 0.00 31.29 33.10 2wr1 h VAL 90 CO 0.74 0.72 -0.57 0.20 0.02 0.00 0.00 177.57 178.68 2wr1 s ASN 91 N -7.14 5.28 0.00 0.57 0.02 -0.39 -4.97 114.94 108.31 2wr1 s ASN 91 Ca -0.07 -1.57 0.00 0.00 -1.02 0.00 0.00 52.86 50.21 2wr1 s ASN 91 Cb 0.08 -1.85 0.00 0.00 0.02 0.00 0.00 41.25 39.50 2wr1 s ASN 91 CO 0.88 -0.44 0.00 0.61 0.02 0.00 0.00 177.10 178.17 2wr1 n GLY 92 N 4.72 2.80 3.55 0.66 0.00 -1.26 -1.02 105.19 114.64 2wr1 n GLY 92 Ca -0.09 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 2wr1 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr1 s LEU 93 N 0.00 3.42 0.13 0.99 1.43 -1.26 -4.12 118.68 119.27 2wr1 s LEU 93 Ca 0.00 -0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 52.00 2wr1 s LEU 93 Cb 0.00 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 2wr1 s LEU 93 CO 0.00 -1.65 1.47 0.00 0.23 0.00 0.00 176.35 176.40 2wr1 s TYR 95 N -4.49 3.40 0.71 0.00 5.04 -1.26 -4.63 117.35 116.13 2wr1 s TYR 95 Ca -0.12 1.30 -0.13 0.00 -2.44 0.00 0.00 57.07 55.68 2wr1 s TYR 95 Cb 0.10 -3.07 0.03 0.00 0.35 0.00 0.00 41.96 39.37 2wr1 s TYR 95 CO 0.85 -0.29 1.12 -1.25 -1.34 0.00 0.00 175.55 174.63 2wr1 s PRO 96 N 2.38 2.49 0.00 4.97 0.04 -1.25 -4.73 135.00 138.89 2wr1 s PRO 96 Ca 0.40 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2wr1 s PRO 96 Cb -0.16 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2wr1 s PRO 96 CO 0.11 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.07 2wr1 n GLY 97 N -0.57 -0.40 3.56 0.56 0.00 -1.26 -1.08 105.19 106.00 2wr1 n GLY 97 Ca 0.10 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 2wr1 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr1 s SER 98 N -4.00 0.46 -0.24 1.61 1.04 -0.70 -4.94 113.70 106.92 2wr1 s SER 98 Ca 0.00 -1.26 -0.03 0.00 0.48 0.00 0.00 55.95 55.14 2wr1 s SER 98 Cb 0.00 0.67 0.12 0.00 0.10 0.00 0.00 66.02 66.91 2wr1 s SER 98 CO 0.00 -1.31 0.31 0.12 0.98 0.00 0.00 173.24 173.34 2wr1 s PHE 99 N -3.24 -0.57 0.38 5.02 5.36 -1.26 -0.93 117.98 122.74 2wr1 s PHE 99 Ca 0.26 0.40 -0.27 0.00 -0.96 0.00 0.00 56.93 56.36 2wr1 s PHE 99 Cb -0.01 -0.22 -0.09 0.00 -0.34 0.00 0.00 43.02 42.36 2wr1 s PHE 99 CO 0.15 -0.73 1.27 -0.80 -1.46 0.00 0.00 175.22 173.66 2wr1 s ASN 100 N 2.43 6.50 -1.63 6.13 0.02 0.41 -3.28 114.94 125.53 2wr1 s ASN 100 Ca 0.10 2.59 -0.12 0.00 -1.02 0.00 0.00 52.86 54.41 2wr1 s ASN 100 Cb -0.15 -2.64 0.11 0.00 0.02 0.00 0.00 41.25 38.59 2wr1 s ASN 100 CO -0.18 -0.71 0.59 0.47 0.02 0.00 0.00 177.10 177.29 2wr1 n ASP 101 N 0.33 -1.93 -0.15 -1.22 8.00 -1.26 -4.61 116.55 115.71 2wr1 n ASP 101 Ca 0.03 -1.06 -0.07 0.00 0.71 0.00 0.00 54.79 54.39 2wr1 n ASP 101 Cb 0.44 -2.61 0.08 0.00 -0.02 0.00 0.00 41.12 39.01 2wr1 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr1 h TYR 102 N -1.57 1.00 -0.05 1.24 3.20 -1.96 -2.35 116.97 116.48 2wr1 h TYR 102 Ca -0.61 -0.18 -0.16 0.00 3.14 0.00 0.00 58.73 60.92 2wr1 h TYR 102 Cb 1.38 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 2wr1 h TYR 102 CO 0.59 0.93 -0.69 0.93 -1.64 0.00 0.00 178.16 178.28 2wr1 h GLU 103 N 0.82 0.24 -0.73 1.82 3.07 -1.89 -1.08 114.58 116.83 2wr1 h GLU 103 Ca 0.14 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2wr1 h GLU 103 Cb 0.58 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 2wr1 h GLU 103 CO 0.04 0.84 0.40 0.93 -1.40 0.00 0.00 179.01 179.81 2wr1 h GLU 104 N 0.16 1.02 0.05 2.33 4.39 -1.87 -1.54 114.58 119.12 2wr1 h GLU 104 Ca -0.02 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 2wr1 h GLU 104 Cb 1.24 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2wr1 h GLU 104 CO 0.11 0.76 -0.02 1.25 -1.16 0.00 0.00 179.01 179.94 2wr1 h LEU 105 N 1.01 -0.05 -0.51 1.33 5.85 -0.92 -2.25 115.31 119.76 2wr1 h LEU 105 Ca 0.26 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.99 2wr1 h LEU 105 Cb 0.04 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 2wr1 h LEU 105 CO -0.04 0.03 0.12 0.11 -0.34 0.00 0.00 178.44 178.32 2wr1 h LYS 106 N -0.14 0.25 -0.73 1.25 1.57 -1.10 -1.88 116.57 115.79 2wr1 h LYS 106 Ca -0.01 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2wr1 h LYS 106 Cb 0.12 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 2wr1 h LYS 106 CO 0.01 0.17 0.45 1.25 -0.57 0.00 0.00 179.45 180.76 2wr1 h HIS 107 N 0.26 0.85 -0.95 -1.35 2.76 -1.18 -2.78 115.15 112.76 2wr1 h HIS 107 Ca 0.26 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.50 2wr1 h HIS 107 Cb 0.34 -0.28 -0.06 0.00 1.55 0.00 0.00 27.41 28.97 2wr1 h HIS 107 CO -0.22 0.47 0.62 1.25 -1.30 0.00 0.00 177.93 178.75 2wr1 h LEU 108 N 0.88 1.00 -3.44 0.26 5.85 -0.72 -3.11 115.31 116.02 2wr1 h LEU 108 Ca 0.30 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2wr1 h LEU 108 Cb 0.06 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.87 2wr1 h LEU 108 CO -0.13 0.66 0.00 2.30 -0.34 0.00 0.00 178.44 180.94 2wr1 n ILE 109 N -4.47 2.50 0.07 4.05 -5.35 -1.06 -4.46 119.36 110.64 2wr1 n ILE 109 Ca 0.14 -1.41 -0.04 0.00 -0.27 0.00 0.00 62.75 61.17 2wr1 n ILE 109 Cb 0.15 -0.18 0.17 0.00 -1.74 0.00 0.00 39.64 38.04 2wr1 n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wr1 h THR 110 N 3.78 1.32 -3.05 7.28 1.03 -1.46 -3.41 112.91 118.39 2wr1 h THR 110 Ca 0.00 -1.63 -0.24 0.00 -0.01 0.00 0.00 66.41 64.53 2wr1 h THR 110 Cb 1.80 1.72 -0.33 0.00 -1.07 0.00 0.00 68.15 70.27 2wr1 h THR 110 CO 0.40 0.49 -0.57 -0.55 -0.01 0.00 0.00 175.52 175.29 2wr1 s SER 111 N -6.88 0.24 0.04 0.00 0.15 -1.26 -3.65 113.70 102.34 2wr1 s SER 111 Ca -0.05 0.43 0.03 0.00 0.70 0.00 0.00 55.95 57.06 2wr1 s SER 111 Cb 0.13 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.81 2wr1 s SER 111 CO 0.79 -0.21 -0.09 0.68 1.20 0.00 0.00 173.24 175.61 2wr1 s VAL 112 N 1.85 0.69 -0.44 4.45 -7.23 -0.84 -4.27 120.40 114.61 2wr1 s VAL 112 Ca -0.03 -0.97 0.23 0.00 -1.81 0.00 0.00 61.98 59.40 2wr1 s VAL 112 Cb -0.12 -0.69 0.04 0.00 0.56 0.00 0.00 36.38 36.17 2wr1 s VAL 112 CO -0.07 -0.23 1.20 0.71 -0.31 0.00 0.00 175.10 176.40 2wr1 h THR 113 N 4.55 0.00 -1.95 5.32 1.35 -0.58 -2.56 112.91 119.03 2wr1 h THR 113 Ca -0.36 -0.76 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 2wr1 h THR 113 Cb 1.20 1.31 -0.22 0.00 -1.73 0.00 0.00 68.15 68.71 2wr1 h THR 113 CO 0.42 0.00 0.13 -2.28 -0.25 0.00 0.00 175.52 173.54 2wr1 s HIS 114 N -3.26 -0.84 -0.09 4.73 5.65 -1.16 -4.65 115.29 115.67 2wr1 s HIS 114 Ca 0.03 1.91 -0.04 0.00 0.25 0.00 0.00 55.06 57.21 2wr1 s HIS 114 Cb 0.11 0.39 0.04 0.00 -1.18 0.00 0.00 32.58 31.95 2wr1 s HIS 114 CO 0.75 -0.41 0.21 0.12 -0.65 0.00 0.00 174.74 174.76 2wr1 s PHE 115 N 0.78 -0.27 -0.23 3.88 5.36 -0.16 -1.33 117.98 126.02 2wr1 s PHE 115 Ca -0.03 0.68 -0.09 0.00 -0.96 0.00 0.00 56.93 56.53 2wr1 s PHE 115 Cb -0.05 -0.02 0.09 0.00 -0.34 0.00 0.00 43.02 42.70 2wr1 s PHE 115 CO -0.06 -0.22 0.50 -2.00 -1.46 0.00 0.00 175.22 171.98 2wr1 s GLU 116 N 1.37 0.44 0.14 10.12 2.12 -0.52 -4.63 118.70 127.75 2wr1 s GLU 116 Ca -0.08 1.11 -0.30 0.00 0.36 0.00 0.00 54.97 56.06 2wr1 s GLU 116 Cb -0.11 0.37 -0.07 0.00 0.26 0.00 0.00 34.13 34.58 2wr1 s GLU 116 CO -0.07 -0.21 1.10 0.21 -0.54 0.00 0.00 175.26 175.75 2wr1 s LYS 117 N 2.34 4.57 -0.01 4.30 2.20 -1.26 -0.53 119.74 131.34 2wr1 s LYS 117 Ca -0.05 1.69 0.02 0.00 -0.36 0.00 0.00 55.97 57.27 2wr1 s LYS 117 Cb -0.10 -3.31 -0.00 0.00 -1.51 0.00 0.00 37.83 32.91 2wr1 s LYS 117 CO -0.15 0.02 -0.08 0.08 -0.36 0.00 0.00 175.35 174.86 2wr1 s VAL 118 N 0.06 0.64 -0.40 4.02 1.01 0.29 -4.94 120.40 121.08 2wr1 s VAL 118 Ca 0.51 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 2wr1 s VAL 118 Cb -0.28 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.57 2wr1 s VAL 118 CO 0.33 0.19 1.13 -0.75 0.00 0.00 0.00 175.10 176.00 2wr1 s LYS 119 N -0.09 3.88 -0.07 2.72 2.20 -1.26 -0.39 119.74 126.72 2wr1 s LYS 119 Ca 0.02 0.84 0.10 0.00 -0.36 0.00 0.00 55.97 56.56 2wr1 s LYS 119 Cb -0.04 -3.83 -0.14 0.00 -1.51 0.00 0.00 37.83 32.30 2wr1 s LYS 119 CO -0.00 -1.16 0.11 0.44 -0.36 0.00 0.00 175.35 174.37 2wr1 n ILE 120 N 6.39 0.45 -3.34 5.43 -5.35 -0.20 -4.84 119.36 117.90 2wr1 n ILE 120 Ca 0.12 -0.37 -0.26 0.00 -0.27 0.00 0.00 62.75 61.97 2wr1 n ILE 120 Cb 0.48 -0.38 -0.09 0.00 -1.74 0.00 0.00 39.64 37.91 2wr1 n ILE 120 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wr1 n LEU 121 N -2.20 0.22 -4.56 7.28 4.77 -0.66 -4.92 117.00 116.91 2wr1 n LEU 121 Ca -0.11 -4.61 -0.50 0.00 -0.03 0.00 0.00 56.01 50.75 2wr1 n LEU 121 Cb 0.64 0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 42.12 2wr1 n LEU 121 CO 0.22 1.95 0.71 -2.65 -1.33 0.00 0.00 177.39 176.29 2wr1 n PRO 122 N 2.10 1.00 0.26 3.23 -0.02 -1.26 -4.59 135.00 135.71 2wr1 n PRO 122 Ca 0.26 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 62.23 2wr1 n PRO 122 Cb 0.49 -1.86 0.64 0.00 -0.02 0.00 0.00 33.50 32.75 2wr1 n PRO 122 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2wr1 h ARG 123 N 3.46 0.00 0.00 -0.52 0.11 -1.94 -2.41 114.38 113.08 2wr1 h ARG 123 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2wr1 h ARG 123 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 2wr1 h ARG 123 CO 0.71 0.11 0.00 -0.40 0.10 0.00 0.00 179.97 180.48 2wr1 n ASP 124 N -3.30 0.00 -0.46 0.08 5.68 -1.26 -2.34 116.55 114.94 2wr1 n ASP 124 Ca -0.00 0.35 0.13 0.00 -0.50 0.00 0.00 54.79 54.77 2wr1 n ASP 124 Cb 0.33 -0.43 0.51 0.00 -1.14 0.00 0.00 41.12 40.39 2wr1 n ASP 124 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wr1 n GLN 125 N -1.43 1.63 -1.72 0.11 6.02 -0.91 -4.26 117.38 116.82 2wr1 n GLN 125 Ca 0.06 -0.93 -0.42 0.00 -0.01 0.00 0.00 57.00 55.70 2wr1 n GLN 125 Cb 0.19 -1.46 -0.00 0.00 1.02 0.00 0.00 30.24 29.99 2wr1 n GLN 125 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2wr1 n TRP 126 N 0.13 3.39 0.62 1.08 7.02 -0.99 -4.81 117.44 123.89 2wr1 n TRP 126 Ca 0.19 -2.98 0.11 0.00 -1.02 0.00 0.00 57.50 53.79 2wr1 n TRP 126 Cb 0.33 -2.52 0.44 0.00 -2.42 0.00 0.00 31.31 27.14 2wr1 n TRP 126 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2wr1 n THR 127 N 4.84 0.65 -1.12 -0.99 -2.24 -1.26 -2.81 114.28 111.35 2wr1 n THR 127 Ca 0.54 0.10 0.10 0.00 -2.27 0.00 0.00 64.05 62.52 2wr1 n THR 127 Cb 0.37 -0.85 0.14 0.00 -2.10 0.00 0.00 70.33 67.90 2wr1 n THR 127 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wr1 n GLN 128 N -1.77 1.29 -4.27 -0.78 0.00 -1.26 -4.99 117.38 105.59 2wr1 n GLN 128 Ca 0.04 -2.61 -0.19 0.00 0.00 0.00 0.00 57.00 54.24 2wr1 n GLN 128 Cb 0.26 -1.49 -0.11 0.00 0.00 0.00 0.00 30.24 28.90 2wr1 n GLN 128 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2wr1 s HIS 129 N -2.87 1.53 0.35 2.61 3.76 -1.12 -4.45 115.29 115.10 2wr1 s HIS 129 Ca 0.32 -0.54 -0.25 0.00 -0.15 0.00 0.00 55.06 54.44 2wr1 s HIS 129 Cb 0.28 -0.78 -0.10 0.00 1.11 0.00 0.00 32.58 33.09 2wr1 s HIS 129 CO 0.02 0.20 0.99 0.99 -0.85 0.00 0.00 174.74 176.09 2wr1 s THR 130 N -2.19 4.02 0.00 1.30 2.01 -0.14 -4.91 115.64 115.73 2wr1 s THR 130 Ca 0.12 1.63 0.00 0.00 0.31 0.00 0.00 61.69 63.75 2wr1 s THR 130 Cb -0.05 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.58 2wr1 s THR 130 CO 0.04 0.09 0.16 1.07 -0.69 0.00 0.00 174.62 175.29 2wr1 n THR 131 N 0.34 0.00 1.06 -0.82 5.66 -1.26 -0.87 114.28 118.39 2wr1 n THR 131 Ca 0.03 -0.20 0.11 0.00 -3.05 0.00 0.00 64.05 60.94 2wr1 n THR 131 Cb 0.50 1.45 0.08 0.00 -1.55 0.00 0.00 70.33 70.81 2wr1 n THR 131 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2wr1 n THR 132 N -0.09 0.00 -1.63 1.09 -2.24 -1.26 -4.89 114.28 105.26 2wr1 n THR 132 Ca 0.00 -0.24 -0.44 0.00 -2.27 0.00 0.00 64.05 61.10 2wr1 n THR 132 Cb 0.11 1.09 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 2wr1 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr1 n GLY 133 N 1.40 0.09 0.00 3.38 0.00 -1.26 -5.00 105.19 103.80 2wr1 n GLY 133 Ca 0.10 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2wr1 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wr1 n GLY 134 N 1.10 3.14 3.23 -0.02 0.00 -1.26 -4.82 105.19 106.57 2wr1 n GLY 134 Ca 0.08 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 2wr1 n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr1 s SER 135 N -0.77 -0.24 0.64 1.61 0.15 0.11 -4.83 113.70 110.37 2wr1 s SER 135 Ca 0.00 0.27 0.42 0.00 0.70 0.00 0.00 55.95 57.34 2wr1 s SER 135 Cb 0.00 0.43 2.23 0.00 -1.71 0.00 0.00 66.02 66.97 2wr1 s SER 135 CO 0.00 -0.33 2.31 -0.09 1.20 0.00 0.00 173.24 176.32 2wr1 h ARG 136 N 4.46 0.00 0.00 5.44 2.43 -1.88 -0.19 114.38 124.64 2wr1 h ARG 136 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2wr1 h ARG 136 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2wr1 h ARG 136 CO 0.37 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.83 2wr1 h ALA 137 N 2.00 1.00 -0.39 2.80 0.00 -1.88 -2.35 119.26 120.43 2wr1 h ALA 137 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2wr1 h ALA 137 Cb 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.77 2wr1 h ALA 137 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.24 2wr1 s ALA 139 N -3.19 3.47 -0.22 0.00 0.00 -0.89 -3.82 121.76 117.11 2wr1 s ALA 139 Ca 0.45 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.63 2wr1 s ALA 139 Cb 0.40 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 20.10 2wr1 s ALA 139 CO 0.02 -0.58 -0.15 0.08 0.00 0.00 0.00 175.76 175.14 2wr1 s VAL 140 N -1.15 2.18 0.00 0.00 1.01 -0.26 -4.85 120.40 117.33 2wr1 s VAL 140 Ca 0.49 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2wr1 s VAL 140 Cb -0.38 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2wr1 s VAL 140 CO 0.51 0.27 0.00 -0.11 0.00 0.00 0.00 175.10 175.77 2wr1 n LEU 141 N 4.55 0.00 -3.70 3.92 0.00 -1.26 1.00 117.00 121.51 2wr1 n LEU 141 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.54 2wr1 n LEU 141 Cb 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.76 2wr1 n LEU 141 CO 0.24 0.00 -0.24 1.51 0.00 0.00 0.00 177.39 178.90 2wr1 s ASP 142 N -3.10 3.59 0.24 1.96 3.84 -1.26 -5.17 116.67 116.77 2wr1 s ASP 142 Ca 0.00 -2.66 0.05 0.00 -0.00 0.00 0.00 52.55 49.94 2wr1 s ASP 142 Cb 0.00 -1.01 -0.03 0.00 -1.38 0.00 0.00 42.92 40.50 2wr1 s ASP 142 CO 0.00 -0.26 0.32 0.20 -0.00 0.00 0.00 175.17 175.43 2wr1 s ASN 143 N 0.31 6.12 0.55 2.11 0.01 0.28 -5.02 114.94 119.30 2wr1 s ASN 143 Ca 0.18 -0.01 -0.21 0.00 -0.71 0.00 0.00 52.86 52.11 2wr1 s ASN 143 Cb -0.23 -1.75 -0.05 0.00 0.41 0.00 0.00 41.25 39.63 2wr1 s ASN 143 CO -0.01 -0.06 1.24 -2.65 -1.51 0.00 0.00 177.10 174.11 2wr1 n PRO 144 N -1.33 1.47 -0.20 -0.60 -0.02 -1.26 -1.11 135.00 131.95 2wr1 n PRO 144 Ca -0.09 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2wr1 n PRO 144 Cb 0.57 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2wr1 n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wr1 n SER 145 N -0.82 0.00 -3.64 2.55 2.88 -0.81 -4.73 113.62 109.05 2wr1 n SER 145 Ca 0.11 -0.12 -0.09 0.00 -1.33 0.00 0.00 58.87 57.44 2wr1 n SER 145 Cb 0.45 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.89 2wr1 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr1 s PHE 146 N -1.98 -0.35 -0.28 0.66 5.36 -1.26 0.06 117.98 120.20 2wr1 s PHE 146 Ca 0.00 0.03 -0.43 0.00 -0.96 0.00 0.00 56.93 55.57 2wr1 s PHE 146 Cb 0.00 0.63 -0.19 0.00 -0.34 0.00 0.00 43.02 43.12 2wr1 s PHE 146 CO 0.00 -0.99 1.49 1.19 -1.46 0.00 0.00 175.22 175.44 2wr1 n PHE 147 N -0.41 1.55 0.25 10.12 3.72 -1.26 -4.65 117.46 126.77 2wr1 n PHE 147 Ca -0.10 0.94 0.14 0.00 -0.05 0.00 0.00 57.45 58.37 2wr1 n PHE 147 Cb 0.62 -2.26 0.59 0.00 -0.94 0.00 0.00 39.48 37.49 2wr1 n PHE 147 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wr1 h ARG 148 N 5.01 0.00 -0.01 -1.08 3.08 -0.73 -2.87 114.38 117.77 2wr1 h ARG 148 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2wr1 h ARG 148 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 2wr1 h ARG 148 CO 0.88 0.11 -0.28 0.09 -1.07 0.00 0.00 179.97 179.70 2wr1 n ASN 149 N -3.26 1.21 -4.44 7.04 3.02 -0.30 -4.95 115.26 113.57 2wr1 n ASN 149 Ca 0.00 -1.02 -0.22 0.00 -0.03 0.00 0.00 54.58 53.31 2wr1 n ASN 149 Cb 0.36 0.18 -0.10 0.00 -0.61 0.00 0.00 39.78 39.60 2wr1 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr1 s MET 150 N -2.47 1.59 0.00 3.52 -1.94 -1.09 -0.65 119.30 118.26 2wr1 s MET 150 Ca 0.24 -1.76 0.00 0.00 -1.71 0.00 0.00 55.69 52.46 2wr1 s MET 150 Cb 0.19 -1.45 0.00 0.00 2.01 0.00 0.00 34.83 35.58 2wr1 s MET 150 CO 0.52 0.19 0.00 0.28 -0.01 0.00 0.00 175.02 176.00 2wr1 n VAL 151 N -0.59 0.00 -3.65 -6.03 0.31 -0.08 -4.80 118.33 103.49 2wr1 n VAL 151 Ca -0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.19 2wr1 n VAL 151 Cb 0.62 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.47 2wr1 n VAL 151 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2wr1 s LEU 153 N 0.00 -0.79 0.28 7.52 1.43 -1.22 -1.34 118.68 124.57 2wr1 s LEU 153 Ca 0.00 1.41 0.02 0.00 -1.03 0.00 0.00 54.13 54.54 2wr1 s LEU 153 Cb 0.00 2.24 -0.04 0.00 0.03 0.00 0.00 46.19 48.42 2wr1 s LEU 153 CO 0.00 -0.23 0.13 0.42 0.23 0.00 0.00 176.35 176.89 2wr1 s THR 154 N 1.44 0.44 0.65 5.49 -4.23 -0.05 -4.67 115.64 114.71 2wr1 s THR 154 Ca -0.09 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.26 2wr1 s THR 154 Cb -0.05 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 2wr1 s THR 154 CO -0.16 0.00 1.13 -1.59 -0.54 0.00 0.00 174.62 173.46 2wr1 s LYS 155 N -3.93 2.81 -0.19 3.99 -2.85 0.15 -0.97 119.74 118.75 2wr1 s LYS 155 Ca 0.36 1.51 -0.01 0.00 -1.00 0.00 0.00 55.97 56.84 2wr1 s LYS 155 Cb 0.06 -1.94 0.01 0.00 -2.06 0.00 0.00 37.83 33.90 2wr1 s LYS 155 CO 0.15 -1.27 -0.14 0.21 0.10 0.00 0.00 175.35 174.41 2wr1 s LYS 156 N -3.88 3.16 3.28 1.78 2.20 -0.28 -4.10 119.74 121.91 2wr1 s LYS 156 Ca 0.70 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 2wr1 s LYS 156 Cb -0.23 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 2wr1 s LYS 156 CO 0.39 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.63 2wr1 n GLY 157 N 4.55 1.08 0.11 5.54 0.00 -1.26 -2.31 105.19 112.90 2wr1 n GLY 157 Ca -0.20 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2wr1 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr1 n SER 158 N 6.39 0.00 -4.30 1.61 3.41 -1.26 -5.09 113.62 114.37 2wr1 n SER 158 Ca 0.00 -1.17 -0.27 0.00 -0.26 0.00 0.00 58.87 57.17 2wr1 n SER 158 Cb 0.00 -0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 63.78 2wr1 n SER 158 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wr1 s ASN 159 N -0.17 2.77 -0.47 4.04 -0.87 -0.98 -4.90 114.94 114.35 2wr1 s ASN 159 Ca 0.00 -0.60 0.03 0.00 -1.57 0.00 0.00 52.86 50.72 2wr1 s ASN 159 Cb 0.00 -0.21 0.13 0.00 -0.02 0.00 0.00 41.25 41.15 2wr1 s ASN 159 CO 0.00 0.17 0.24 -0.47 -2.57 0.00 0.00 177.10 174.47 2wr1 s TYR 160 N -0.90 2.57 0.99 2.20 5.04 -1.26 -1.12 117.35 124.86 2wr1 s TYR 160 Ca 0.09 -2.78 -0.12 0.00 -2.44 0.00 0.00 57.07 51.82 2wr1 s TYR 160 Cb -0.09 -2.34 0.18 0.00 0.35 0.00 0.00 41.96 40.05 2wr1 s TYR 160 CO 0.03 -0.77 1.10 -2.14 -1.34 0.00 0.00 175.55 172.43 2wr1 s PRO 161 N 0.07 0.52 0.36 4.97 0.02 -1.26 -4.92 135.00 134.76 2wr1 s PRO 161 Ca 0.17 0.46 -0.28 0.00 0.02 0.00 0.00 61.00 61.37 2wr1 s PRO 161 Cb -0.25 -1.75 -0.12 0.00 0.02 0.00 0.00 34.50 32.40 2wr1 s PRO 161 CO -0.00 -2.66 1.42 1.51 -0.33 0.00 0.00 177.00 176.94 2wr1 n ILE 162 N -4.12 1.98 -3.46 2.83 3.06 -1.26 -4.89 119.36 113.50 2wr1 n ILE 162 Ca 0.05 -0.49 -0.43 0.00 -2.50 0.00 0.00 62.75 59.38 2wr1 n ILE 162 Cb 0.58 -1.83 -0.09 0.00 0.54 0.00 0.00 39.64 38.84 2wr1 n ILE 162 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wr1 s ALA 163 N -1.08 3.47 -0.15 1.51 0.00 0.87 -4.95 121.76 121.44 2wr1 s ALA 163 Ca 0.54 -2.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 2wr1 s ALA 163 Cb -0.51 -2.92 0.05 0.00 0.00 0.00 0.00 23.12 19.73 2wr1 s ALA 163 CO 0.63 -1.65 0.02 0.21 0.00 0.00 0.00 175.76 174.97 2wr1 s LYS 164 N 1.59 0.64 0.02 0.00 2.20 -1.26 -0.93 119.74 122.01 2wr1 s LYS 164 Ca 0.04 -0.22 -0.09 0.00 -0.36 0.00 0.00 55.97 55.34 2wr1 s LYS 164 Cb -0.23 -1.69 0.00 0.00 -1.51 0.00 0.00 37.83 34.40 2wr1 s LYS 164 CO 0.06 -0.51 0.18 1.03 -0.36 0.00 0.00 175.35 175.75 2wr1 s ARG 165 N 1.90 0.62 0.18 4.03 0.52 -0.96 -5.01 118.95 120.23 2wr1 s ARG 165 Ca 0.01 -0.54 0.04 0.00 -0.52 0.00 0.00 55.73 54.72 2wr1 s ARG 165 Cb -0.15 0.26 -0.05 0.00 0.52 0.00 0.00 34.95 35.53 2wr1 s ARG 165 CO -0.07 -0.17 -0.04 -1.54 0.02 0.00 0.00 175.30 173.50 2wr1 s SER 166 N -1.82 1.67 -0.02 0.23 1.04 -1.26 -1.08 113.70 112.46 2wr1 s SER 166 Ca -0.09 -1.12 -0.01 0.00 0.48 0.00 0.00 55.95 55.22 2wr1 s SER 166 Cb -0.03 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.13 2wr1 s SER 166 CO -0.02 -0.45 0.04 -0.47 0.98 0.00 0.00 173.24 173.33 2wr1 s TYR 167 N -3.43 -0.02 -0.30 5.02 5.04 -0.33 -4.99 117.35 118.33 2wr1 s TYR 167 Ca 0.22 0.15 -0.12 0.00 -2.44 0.00 0.00 57.07 54.88 2wr1 s TYR 167 Cb 0.04 -0.11 -0.04 0.00 0.35 0.00 0.00 41.96 42.20 2wr1 s TYR 167 CO 0.04 -0.07 0.22 1.21 -1.34 0.00 0.00 175.55 175.61 2wr1 s ASN 168 N 0.63 6.05 -1.05 4.32 3.84 -1.26 -1.17 114.94 126.30 2wr1 s ASN 168 Ca -0.05 -0.15 -0.24 0.00 0.21 0.00 0.00 52.86 52.63 2wr1 s ASN 168 Cb -0.07 -2.13 -0.07 0.00 -0.55 0.00 0.00 41.25 38.42 2wr1 s ASN 168 CO -0.02 -0.13 1.94 0.21 -2.79 0.00 0.00 177.10 176.31 2wr1 s ASN 169 N 1.74 5.07 -0.22 -4.21 2.47 -0.58 -4.69 114.94 114.52 2wr1 s ASN 169 Ca 0.07 -1.20 0.09 0.00 0.42 0.00 0.00 52.86 52.24 2wr1 s ASN 169 Cb -0.16 -2.58 0.60 0.00 -1.45 0.00 0.00 41.25 37.66 2wr1 s ASN 169 CO 0.11 -2.94 1.51 0.35 -3.72 0.00 0.00 177.10 172.41 2wr1 n THR 170 N 7.85 2.25 0.60 -5.21 -2.24 -1.26 -0.66 114.28 115.60 2wr1 n THR 170 Ca 0.43 -1.16 0.13 0.00 -2.27 0.00 0.00 64.05 61.18 2wr1 n THR 170 Cb 0.47 -0.40 0.38 0.00 -2.10 0.00 0.00 70.33 68.68 2wr1 n THR 170 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wr1 h SER 171 N 2.50 0.00 0.00 3.42 4.64 -1.98 -3.48 113.55 118.65 2wr1 h SER 171 Ca 0.12 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2wr1 h SER 171 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 2wr1 h SER 171 CO 0.49 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 2wr1 n GLY 172 N 1.30 2.30 3.29 -0.77 0.00 -1.26 -5.04 105.19 105.01 2wr1 n GLY 172 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 2wr1 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr1 s GLU 173 N -0.69 1.17 0.60 1.61 2.02 -1.26 -4.97 118.70 117.17 2wr1 s GLU 173 Ca 0.00 -1.50 -0.19 0.00 0.02 0.00 0.00 54.97 53.30 2wr1 s GLU 173 Cb 0.00 -0.83 -0.04 0.00 0.10 0.00 0.00 34.13 33.36 2wr1 s GLU 173 CO 0.00 0.12 1.11 1.04 0.02 0.00 0.00 175.26 177.55 2wr1 n GLN 174 N -0.26 1.08 -4.68 1.61 6.02 -1.25 -4.45 117.38 115.44 2wr1 n GLN 174 Ca -0.09 0.41 -0.26 0.00 -0.01 0.00 0.00 57.00 57.05 2wr1 n GLN 174 Cb 0.60 -2.31 -0.17 0.00 1.02 0.00 0.00 30.24 29.38 2wr1 n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2wr1 s MET 175 N -2.91 1.99 -0.13 -1.09 -2.45 0.13 -1.51 119.30 113.32 2wr1 s MET 175 Ca 0.77 -0.51 -0.20 0.00 -1.25 0.00 0.00 55.69 54.50 2wr1 s MET 175 Cb -0.41 -1.61 -0.04 0.00 1.25 0.00 0.00 34.83 34.02 2wr1 s MET 175 CO 0.46 0.04 0.58 -1.17 1.05 0.00 0.00 175.02 175.98 2wr1 s LEU 176 N 0.65 4.25 -0.04 4.11 2.96 0.56 0.30 118.68 131.46 2wr1 s LEU 176 Ca -0.14 0.92 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 2wr1 s LEU 176 Cb -0.16 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 43.69 2wr1 s LEU 176 CO 0.04 -0.11 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.28 2wr1 s ILE 177 N 1.07 0.54 0.06 6.68 1.01 -0.64 -0.37 121.20 129.54 2wr1 s ILE 177 Ca 0.30 -0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.91 2wr1 s ILE 177 Cb -0.16 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 2wr1 s ILE 177 CO 0.13 0.22 -0.23 -0.63 0.00 0.00 0.00 174.94 174.43 2wr1 s ILE 178 N 0.88 2.42 0.28 2.92 1.01 -1.26 -1.60 121.20 125.85 2wr1 s ILE 178 Ca -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 60.65 59.12 2wr1 s ILE 178 Cb -0.14 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 2wr1 s ILE 178 CO 0.00 0.30 0.38 -1.66 0.00 0.00 0.00 174.94 173.96 2wr1 s TRP 179 N -0.90 0.97 0.26 3.97 -2.14 -0.71 -3.89 118.94 116.50 2wr1 s TRP 179 Ca 0.13 -1.20 -0.08 0.00 2.66 0.00 0.00 56.10 57.61 2wr1 s TRP 179 Cb -0.10 -0.19 -0.01 0.00 -3.10 0.00 0.00 33.47 30.07 2wr1 s TRP 179 CO 0.04 -0.96 0.39 0.20 -2.66 0.00 0.00 176.95 173.97 2wr1 s GLY 180 N -3.18 0.96 -0.00 3.67 0.00 -0.28 -0.12 107.32 108.38 2wr1 s GLY 180 Ca 0.31 -1.22 0.03 0.00 0.00 0.00 0.00 44.72 43.85 2wr1 s GLY 180 CO 0.16 -0.89 -0.11 -1.50 0.00 0.00 0.00 173.10 170.76 2wr1 s ILE 181 N -3.83 0.84 -0.13 0.90 2.07 0.10 -0.45 121.20 120.70 2wr1 s ILE 181 Ca 0.28 -0.51 -0.11 0.00 -1.41 0.00 0.00 60.65 58.90 2wr1 s ILE 181 Cb 0.01 -0.71 -0.05 0.00 0.13 0.00 0.00 42.46 41.84 2wr1 s ILE 181 CO 0.12 0.20 0.24 -2.28 -1.91 0.00 0.00 174.94 171.31 2wr1 s HIS 182 N -0.32 3.53 -0.42 3.50 5.65 -0.57 -0.38 115.29 126.28 2wr1 s HIS 182 Ca 0.04 0.59 -0.07 0.00 0.25 0.00 0.00 55.06 55.87 2wr1 s HIS 182 Cb -0.04 -2.19 0.10 0.00 -1.18 0.00 0.00 32.58 29.26 2wr1 s HIS 182 CO -0.00 0.45 0.25 -1.01 -0.65 0.00 0.00 174.74 173.77 2wr1 s HIS 183 N -0.20 3.43 1.02 3.88 0.09 0.73 -4.81 115.29 119.44 2wr1 s HIS 183 Ca 0.16 -1.90 -0.13 0.00 -0.00 0.00 0.00 55.06 53.19 2wr1 s HIS 183 Cb -0.13 -3.11 0.20 0.00 -0.00 0.00 0.00 32.58 29.55 2wr1 s HIS 183 CO 0.04 -0.92 1.09 -2.14 -0.00 0.00 0.00 174.74 172.81 2wr1 s PRO 184 N 1.31 0.23 0.34 8.40 0.02 -1.26 -2.37 135.00 141.67 2wr1 s PRO 184 Ca 0.05 0.51 0.14 0.00 0.02 0.00 0.00 61.00 61.72 2wr1 s PRO 184 Cb -0.24 -1.71 0.61 0.00 0.02 0.00 0.00 34.50 33.18 2wr1 s PRO 184 CO -0.01 -2.87 1.73 -0.91 -0.33 0.00 0.00 177.00 174.62 2wr1 h ASN 185 N -1.99 0.00 -5.30 2.53 -0.26 -1.88 -3.36 115.58 105.33 2wr1 h ASN 185 Ca -0.56 0.00 0.30 0.00 -0.56 0.00 0.00 56.30 55.48 2wr1 h ASN 185 Cb 1.33 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 38.46 2wr1 h ASN 185 CO 0.57 0.45 0.81 1.51 -1.06 0.00 0.00 177.43 179.72 2wr1 s ASP 186 N -6.71 -0.09 0.48 5.81 1.47 -1.26 -4.39 116.67 111.98 2wr1 s ASP 186 Ca -0.01 -0.10 0.13 0.00 1.18 0.00 0.00 52.55 53.74 2wr1 s ASP 186 Cb 0.13 0.17 1.12 0.00 -0.34 0.00 0.00 42.92 43.99 2wr1 s ASP 186 CO 0.72 -0.30 2.11 0.44 0.68 0.00 0.00 175.17 178.82 2wr1 h ASP 187 N 2.00 0.18 -0.49 2.11 3.32 -1.98 -1.89 116.42 119.66 2wr1 h ASP 187 Ca -0.24 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 2wr1 h ASP 187 Cb 1.19 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 2wr1 h ASP 187 CO 0.27 0.13 -0.01 0.00 -1.72 0.00 0.00 179.24 177.91 2wr1 h ALA 188 N 1.90 0.67 -0.40 3.45 0.00 -1.99 -2.28 119.26 120.60 2wr1 h ALA 188 Ca 0.06 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2wr1 h ALA 188 Cb -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2wr1 h ALA 188 CO -0.01 0.48 -0.26 1.49 0.00 0.00 0.00 179.25 180.95 2wr1 h GLU 189 N 0.74 0.83 -0.48 0.00 4.81 -1.83 -0.65 114.58 118.01 2wr1 h GLU 189 Ca 0.14 -0.36 0.09 0.00 -0.13 0.00 0.00 59.36 59.10 2wr1 h GLU 189 Cb 0.53 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.80 2wr1 h GLU 189 CO 0.03 1.00 -0.02 0.37 -0.73 0.00 0.00 179.01 179.66 2wr1 h GLN 190 N 0.72 0.09 -0.45 1.92 5.75 -1.16 -0.22 115.11 121.77 2wr1 h GLN 190 Ca 0.09 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.48 2wr1 h GLN 190 Cb 0.80 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 2wr1 h GLN 190 CO 0.07 0.06 -0.13 0.00 -2.65 0.00 0.00 178.83 176.18 2wr1 h ARG 191 N 0.10 0.88 -0.50 1.69 3.08 -1.23 -0.28 114.38 118.11 2wr1 h ARG 191 Ca 0.24 -0.35 0.03 0.00 0.07 0.00 0.00 59.98 59.97 2wr1 h ARG 191 Cb 0.36 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 2wr1 h ARG 191 CO -0.42 0.99 0.28 1.15 -1.07 0.00 0.00 179.97 180.91 2wr1 h THR 192 N 0.71 1.01 0.14 2.04 2.02 -0.64 0.12 112.91 118.32 2wr1 h THR 192 Ca 0.11 -0.19 -0.19 0.00 0.77 0.00 0.00 66.41 66.91 2wr1 h THR 192 Cb 0.68 0.41 0.02 0.00 -1.74 0.00 0.00 68.15 67.52 2wr1 h THR 192 CO 0.05 0.10 -0.84 -0.07 0.37 0.00 0.00 175.52 175.13 2wr1 h LEU 193 N 0.55 0.46 -0.95 2.58 3.38 -0.98 -3.41 115.31 116.94 2wr1 h LEU 193 Ca 0.21 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.23 2wr1 h LEU 193 Cb 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2wr1 h LEU 193 CO -0.12 1.40 0.00 -1.22 0.09 0.00 0.00 178.44 178.59 2wr1 n TYR 194 N -4.12 0.00 0.00 1.13 4.01 -0.12 -0.68 117.16 117.38 2wr1 n TYR 194 Ca -0.14 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2wr1 n TYR 194 Cb 0.82 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 2wr1 n TYR 194 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2wr1 n GLN 195 N -0.04 0.00 -2.90 -0.72 -0.06 0.43 -4.57 117.38 109.52 2wr1 n GLN 195 Ca 0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.67 2wr1 n GLN 195 Cb 0.08 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.19 2wr1 n GLN 195 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2wr1 s ASN 196 N 0.00 6.85 0.40 1.69 0.01 -1.26 -4.54 114.94 118.08 2wr1 s ASN 196 Ca 0.00 1.52 0.08 0.00 -0.71 0.00 0.00 52.86 53.75 2wr1 s ASN 196 Cb 0.00 -2.47 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 2wr1 s ASN 196 CO 0.00 -0.33 0.46 -0.69 -1.51 0.00 0.00 177.10 175.03 2wr1 s VAL 197 N -2.15 3.11 -0.91 1.60 1.01 -1.26 -4.66 120.40 117.14 2wr1 s VAL 197 Ca 0.59 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 2wr1 s VAL 197 Cb -0.10 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2wr1 s VAL 197 CO 0.16 -0.05 0.78 0.61 0.00 0.00 0.00 175.10 176.61 2wr1 n GLY 198 N -1.66 -0.12 4.01 4.51 0.00 -1.26 -5.01 105.19 105.66 2wr1 n GLY 198 Ca 0.04 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2wr1 n GLY 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wr1 s THR 199 N -3.24 2.03 0.10 2.61 -4.23 -1.26 -5.07 115.64 106.58 2wr1 s THR 199 Ca 0.21 -0.70 -0.16 0.00 -1.18 0.00 0.00 61.69 59.86 2wr1 s THR 199 Cb -0.09 -2.33 0.03 0.00 1.34 0.00 0.00 72.50 71.45 2wr1 s THR 199 CO 0.52 0.00 0.39 -0.72 -0.54 0.00 0.00 174.62 174.27 2wr1 s TYR 200 N -3.08 -0.20 -0.19 3.99 -0.85 -1.26 -4.20 117.35 111.55 2wr1 s TYR 200 Ca 0.67 -0.03 0.01 0.00 -0.52 0.00 0.00 57.07 57.19 2wr1 s TYR 200 Cb -0.04 0.23 0.04 0.00 0.38 0.00 0.00 41.96 42.56 2wr1 s TYR 200 CO 0.44 -0.65 -0.12 0.08 -1.52 0.00 0.00 175.55 173.77 2wr1 s VAL 201 N -3.39 1.73 -0.10 -3.49 1.01 -0.34 -2.21 120.40 113.61 2wr1 s VAL 201 Ca 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 2wr1 s VAL 201 Cb 0.01 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2wr1 s VAL 201 CO -0.09 0.25 -0.08 -0.44 0.00 0.00 0.00 175.10 174.74 2wr1 s SER 202 N 1.37 4.46 -0.04 3.32 0.01 -0.10 -1.46 113.70 121.26 2wr1 s SER 202 Ca 0.00 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.14 2wr1 s SER 202 Cb -0.15 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.68 2wr1 s SER 202 CO -0.09 0.26 -0.11 -0.69 0.41 0.00 0.00 173.24 173.02 2wr1 s VAL 203 N -0.21 0.99 -0.04 3.43 1.01 -0.27 -0.51 120.40 124.79 2wr1 s VAL 203 Ca 0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 2wr1 s VAL 203 Cb -0.13 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.39 2wr1 s VAL 203 CO 0.03 0.30 0.10 -0.83 0.00 0.00 0.00 175.10 174.70 2wr1 s GLY 204 N 0.28 -0.04 0.00 4.51 0.00 -0.25 -1.17 107.32 110.65 2wr1 s GLY 204 Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.03 2wr1 s GLY 204 CO 0.01 0.46 0.00 -1.30 0.00 0.00 0.00 173.10 172.27 2wr1 n THR 205 N 3.43 0.00 0.26 0.90 -2.24 0.18 -0.55 114.28 116.25 2wr1 n THR 205 Ca -0.17 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.76 2wr1 n THR 205 Cb 0.57 0.00 0.59 0.00 -2.10 0.00 0.00 70.33 69.38 2wr1 n THR 205 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wr1 h SER 206 N 0.00 0.00 0.00 3.42 0.02 -1.99 -3.35 113.55 111.66 2wr1 h SER 206 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wr1 h SER 206 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2wr1 h SER 206 CO 0.00 0.04 -0.44 0.35 -1.14 0.00 0.00 176.83 175.64 2wr1 n THR 207 N -3.14 0.00 -4.49 -2.27 -2.24 -1.26 -5.03 114.28 95.85 2wr1 n THR 207 Ca 0.01 -0.14 -0.34 0.00 -2.27 0.00 0.00 64.05 61.31 2wr1 n THR 207 Cb 0.35 0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 69.07 2wr1 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr1 s LEU 208 N -1.87 3.26 -0.23 3.22 2.96 -1.26 -5.08 118.68 119.69 2wr1 s LEU 208 Ca 0.00 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2wr1 s LEU 208 Cb 0.00 -1.75 0.07 0.00 0.50 0.00 0.00 46.19 45.01 2wr1 s LEU 208 CO 0.00 0.28 0.05 0.21 -1.32 0.00 0.00 176.35 175.57 2wr1 s ASN 209 N -0.28 3.20 -0.03 3.68 2.47 -1.26 -0.65 114.94 122.07 2wr1 s ASN 209 Ca 0.05 -1.03 0.01 0.00 0.42 0.00 0.00 52.86 52.31 2wr1 s ASN 209 Cb -0.13 -0.64 0.01 0.00 -1.45 0.00 0.00 41.25 39.05 2wr1 s ASN 209 CO 0.02 -0.34 -0.05 -0.75 -3.72 0.00 0.00 177.10 172.27 2wr1 s LYS 210 N 1.82 0.66 -0.01 0.43 2.47 -0.32 -5.02 119.74 119.76 2wr1 s LYS 210 Ca 0.02 -0.15 0.04 0.00 -1.56 0.00 0.00 55.97 54.32 2wr1 s LYS 210 Cb -0.17 -0.66 -0.01 0.00 -1.46 0.00 0.00 37.83 35.52 2wr1 s LYS 210 CO -0.14 0.01 -0.14 0.50 0.16 0.00 0.00 175.35 175.75 2wr1 s ARG 211 N 0.46 1.15 0.08 4.03 3.52 -1.26 -1.11 118.95 125.81 2wr1 s ARG 211 Ca -0.06 -0.49 0.10 0.00 -0.13 0.00 0.00 55.73 55.15 2wr1 s ARG 211 Cb -0.09 -1.10 -0.03 0.00 -1.56 0.00 0.00 34.95 32.16 2wr1 s ARG 211 CO -0.00 0.29 -0.25 -1.12 -0.81 0.00 0.00 175.30 173.40 2wr1 s SER 212 N -0.28 3.07 0.21 -2.12 0.01 -0.54 -4.99 113.70 109.06 2wr1 s SER 212 Ca 0.05 -0.65 0.11 0.00 1.31 0.00 0.00 55.95 56.77 2wr1 s SER 212 Cb -0.06 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 2wr1 s SER 212 CO -0.00 0.20 -0.23 0.27 0.41 0.00 0.00 173.24 173.88 2wr1 s ILE 213 N -0.93 2.35 0.33 1.44 -4.36 -1.26 -1.19 121.20 117.57 2wr1 s ILE 213 Ca 0.11 -2.10 -0.29 0.00 -0.26 0.00 0.00 60.65 58.12 2wr1 s ILE 213 Cb -0.10 -2.14 -0.11 0.00 1.25 0.00 0.00 42.46 41.36 2wr1 s ILE 213 CO 0.04 -0.18 1.44 -2.84 0.24 0.00 0.00 174.94 173.63 2wr1 s PRO 214 N -2.84 4.22 -0.31 0.37 0.02 -1.26 -4.99 135.00 130.21 2wr1 s PRO 214 Ca 0.22 2.41 0.02 0.00 0.02 0.00 0.00 61.00 63.68 2wr1 s PRO 214 Cb -0.07 -3.03 0.09 0.00 0.02 0.00 0.00 34.50 31.51 2wr1 s PRO 214 CO 0.11 -0.42 0.02 -1.21 -0.33 0.00 0.00 177.00 175.17 2wr1 s GLU 215 N -1.50 1.44 -0.11 5.54 2.02 -1.26 -5.04 118.70 119.79 2wr1 s GLU 215 Ca 0.54 -1.52 -0.18 0.00 0.02 0.00 0.00 54.97 53.83 2wr1 s GLU 215 Cb -0.44 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 2wr1 s GLU 215 CO 0.55 -0.85 0.49 0.42 0.02 0.00 0.00 175.26 175.88 2wr1 s ILE 216 N 1.14 5.17 0.12 -1.63 1.01 -1.26 -4.72 121.20 121.02 2wr1 s ILE 216 Ca 0.06 0.98 -0.16 0.00 0.00 0.00 0.00 60.65 61.53 2wr1 s ILE 216 Cb -0.19 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 38.49 2wr1 s ILE 216 CO -0.11 0.34 0.40 0.00 0.00 0.00 0.00 174.94 175.57 2wr1 s ALA 217 N 0.53 -0.93 -0.14 9.38 0.00 -1.26 -5.01 121.76 124.33 2wr1 s ALA 217 Ca 0.27 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.95 2wr1 s ALA 217 Cb -0.15 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 2wr1 s ALA 217 CO 0.11 -0.62 0.87 0.99 0.00 0.00 0.00 175.76 177.10 2wr1 s THR 218 N -3.67 4.87 0.03 0.00 2.01 -1.26 -4.67 115.64 112.95 2wr1 s THR 218 Ca 0.02 1.73 0.01 0.00 0.31 0.00 0.00 61.69 63.76 2wr1 s THR 218 Cb 0.02 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 2wr1 s THR 218 CO -0.11 0.05 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.68 2wr1 s ARG 219 N 1.94 0.44 0.86 4.92 0.52 -1.26 -5.15 118.95 121.22 2wr1 s ARG 219 Ca 0.41 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.79 2wr1 s ARG 219 Cb -0.17 -0.09 0.11 0.00 0.52 0.00 0.00 34.95 35.31 2wr1 s ARG 219 CO 0.15 -0.00 1.10 -1.25 0.02 0.00 0.00 175.30 175.32 2wr1 s PRO 220 N -1.67 1.55 0.17 3.54 0.04 -1.26 -4.65 135.00 132.73 2wr1 s PRO 220 Ca -0.12 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 2wr1 s PRO 220 Cb -0.09 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 2wr1 s PRO 220 CO -0.01 -2.13 1.03 0.15 0.04 0.00 0.00 177.00 176.08 2wr1 s LYS 221 N -4.84 4.67 -0.08 4.56 1.02 -1.26 -4.41 119.74 119.40 2wr1 s LYS 221 Ca 0.63 1.59 0.03 0.00 0.02 0.00 0.00 55.97 58.25 2wr1 s LYS 221 Cb -0.19 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.82 2wr1 s LYS 221 CO 0.57 0.20 -0.18 0.08 -0.92 0.00 0.00 175.35 175.10 2wr1 s VAL 222 N -0.35 1.60 -1.33 3.17 1.01 0.16 -4.57 120.40 120.09 2wr1 s VAL 222 Ca 0.47 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 2wr1 s VAL 222 Cb -0.27 -1.41 0.12 0.00 0.00 0.00 0.00 36.38 34.82 2wr1 s VAL 222 CO 0.33 0.46 0.50 0.59 0.00 0.00 0.00 175.10 176.98 2wr1 n ASN 223 N 3.68 -2.76 0.00 3.32 3.02 -1.26 -0.18 115.26 121.08 2wr1 n ASN 223 Ca -0.21 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 2wr1 n ASN 223 Cb 0.52 -2.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.37 2wr1 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr1 n GLY 224 N -1.08 0.95 3.19 7.41 0.00 -1.26 -4.37 105.19 110.02 2wr1 n GLY 224 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2wr1 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr1 s GLN 225 N -0.38 2.08 0.23 1.61 -1.52 0.75 -4.93 119.66 117.51 2wr1 s GLN 225 Ca 0.00 -0.73 0.14 0.00 -1.95 0.00 0.00 55.36 52.82 2wr1 s GLN 225 Cb 0.00 -1.79 -0.00 0.00 -0.22 0.00 0.00 33.01 31.00 2wr1 s GLN 225 CO 0.00 0.30 1.35 0.78 -0.25 0.00 0.00 175.29 177.48 2wr1 h GLY 226 N 6.17 0.00 -1.08 3.09 0.00 -1.83 0.45 103.07 109.87 2wr1 h GLY 226 Ca -0.32 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.52 2wr1 h GLY 226 CO 0.47 0.00 0.26 -0.32 0.00 0.00 0.00 176.54 176.95 2wr1 s GLY 227 N -4.54 1.62 0.04 4.60 0.00 -1.26 -4.65 107.32 103.12 2wr1 s GLY 227 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 44.72 44.66 2wr1 s GLY 227 CO 0.76 0.40 -0.04 0.50 0.00 0.00 0.00 173.10 174.73 2wr1 s ARG 228 N -4.96 0.48 -0.06 2.90 1.81 -1.00 -4.59 118.95 113.53 2wr1 s ARG 228 Ca 0.63 -0.91 0.05 0.00 -1.72 0.00 0.00 55.73 53.78 2wr1 s ARG 228 Cb -0.18 0.09 -0.01 0.00 -0.45 0.00 0.00 34.95 34.41 2wr1 s ARG 228 CO 0.57 -0.06 -0.23 -1.64 -0.68 0.00 0.00 175.30 173.26 2wr1 s MET 229 N -2.59 2.48 -0.19 3.54 -1.94 -0.24 -0.19 119.30 120.17 2wr1 s MET 229 Ca -0.05 -0.82 -0.01 0.00 -1.71 0.00 0.00 55.69 53.10 2wr1 s MET 229 Cb -0.02 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.78 2wr1 s MET 229 CO -0.05 0.30 -0.12 -2.00 -0.01 0.00 0.00 175.02 173.14 2wr1 s GLU 230 N 0.02 3.22 0.12 2.03 2.12 0.49 -1.72 118.70 124.97 2wr1 s GLU 230 Ca -0.07 -0.72 0.04 0.00 0.36 0.00 0.00 54.97 54.58 2wr1 s GLU 230 Cb -0.14 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.43 2wr1 s GLU 230 CO 0.05 -0.14 0.12 -0.06 -0.54 0.00 0.00 175.26 174.69 2wr1 s PHE 231 N 1.24 3.21 0.18 5.30 0.08 -0.11 -0.72 117.98 127.16 2wr1 s PHE 231 Ca 0.03 0.05 -0.00 0.00 0.12 0.00 0.00 56.93 57.13 2wr1 s PHE 231 Cb -0.14 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2wr1 s PHE 231 CO -0.05 0.52 0.08 -1.12 -0.10 0.00 0.00 175.22 174.55 2wr1 s SER 232 N -2.72 0.53 0.11 1.36 0.01 0.83 -0.44 113.70 113.37 2wr1 s SER 232 Ca 0.31 -1.30 -0.08 0.00 1.31 0.00 0.00 55.95 56.19 2wr1 s SER 232 Cb -0.11 0.28 -0.01 0.00 0.21 0.00 0.00 66.02 66.39 2wr1 s SER 232 CO 0.23 -0.74 0.20 -1.66 0.41 0.00 0.00 173.24 171.68 2wr1 s TRP 233 N -3.98 0.27 0.17 2.43 1.48 -1.26 -1.73 118.94 116.31 2wr1 s TRP 233 Ca 0.32 -0.68 -0.10 0.00 -1.06 0.00 0.00 56.10 54.58 2wr1 s TRP 233 Cb 0.07 -0.09 -0.01 0.00 -1.16 0.00 0.00 33.47 32.28 2wr1 s TRP 233 CO 0.08 -0.58 0.31 -0.08 -4.06 0.00 0.00 176.95 172.61 2wr1 s THR 234 N -3.90 0.06 -0.40 0.66 -1.32 -0.63 -5.01 115.64 105.10 2wr1 s THR 234 Ca 0.09 -1.34 -0.11 0.00 -1.21 0.00 0.00 61.69 59.11 2wr1 s THR 234 Cb 0.05 -1.84 0.04 0.00 -1.51 0.00 0.00 72.50 69.24 2wr1 s THR 234 CO -0.07 -0.27 0.25 -0.76 -2.21 0.00 0.00 174.62 171.55 2wr1 s LEU 235 N -2.96 4.95 -0.28 9.08 1.43 -1.26 -1.62 118.68 128.01 2wr1 s LEU 235 Ca 0.17 -1.14 -0.25 0.00 -1.03 0.00 0.00 54.13 51.88 2wr1 s LEU 235 Cb 0.03 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 2wr1 s LEU 235 CO 0.00 -0.45 0.84 -0.22 0.23 0.00 0.00 176.35 176.75 2wr1 s LEU 236 N 1.54 4.07 0.68 1.79 2.96 0.15 -4.87 118.68 125.00 2wr1 s LEU 236 Ca 0.03 0.89 -0.14 0.00 -0.22 0.00 0.00 54.13 54.68 2wr1 s LEU 236 Cb -0.21 -3.18 0.01 0.00 0.50 0.00 0.00 46.19 43.31 2wr1 s LEU 236 CO 0.06 -0.60 1.10 -1.61 -1.32 0.00 0.00 176.35 173.99 2wr1 s GLU 237 N 2.98 2.70 0.29 1.98 0.41 -1.26 -0.70 118.70 125.10 2wr1 s GLU 237 Ca 0.35 1.34 -0.29 0.00 -0.41 0.00 0.00 54.97 55.96 2wr1 s GLU 237 Cb -0.14 -1.94 -0.13 0.00 -1.78 0.00 0.00 34.13 30.13 2wr1 s GLU 237 CO 0.10 -1.32 1.19 0.25 -0.49 0.00 0.00 175.26 174.99 2wr1 n THR 238 N -2.64 1.75 -1.06 3.63 -2.24 -1.26 -1.69 114.28 110.77 2wr1 n THR 238 Ca 0.10 -0.44 -0.02 0.00 -2.27 0.00 0.00 64.05 61.42 2wr1 n THR 238 Cb 0.52 -1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 67.47 2wr1 n THR 238 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2wr1 n TRP 239 N 0.62 0.00 -3.14 4.78 7.02 0.16 -5.00 117.44 121.88 2wr1 n TRP 239 Ca 0.08 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.36 2wr1 n TRP 239 Cb 0.33 -1.91 0.01 0.00 -2.42 0.00 0.00 31.31 27.32 2wr1 n TRP 239 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2wr1 s ASP 240 N -2.10 5.78 -0.04 -0.99 2.15 -0.68 -4.81 116.67 115.99 2wr1 s ASP 240 Ca 0.00 -0.07 0.05 0.00 0.43 0.00 0.00 52.55 52.96 2wr1 s ASP 240 Cb 0.00 -1.17 -0.02 0.00 -0.30 0.00 0.00 42.92 41.42 2wr1 s ASP 240 CO 0.00 -0.66 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.48 2wr1 s VAL 241 N -2.39 2.83 -0.20 1.11 1.01 -1.26 -1.53 120.40 119.96 2wr1 s VAL 241 Ca 0.49 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 2wr1 s VAL 241 Cb -0.10 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2wr1 s VAL 241 CO 0.34 0.58 0.08 -0.51 0.00 0.00 0.00 175.10 175.59 2wr1 s ILE 242 N -0.72 4.78 -0.21 2.22 2.07 -0.32 -4.27 121.20 124.75 2wr1 s ILE 242 Ca 0.11 -0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.27 2wr1 s ILE 242 Cb -0.10 -3.18 -0.02 0.00 0.13 0.00 0.00 42.46 39.28 2wr1 s ILE 242 CO 0.00 0.42 0.01 0.20 -1.91 0.00 0.00 174.94 173.67 2wr1 s ASN 243 N 0.69 4.88 -0.17 4.50 0.01 0.28 -1.19 114.94 123.94 2wr1 s ASN 243 Ca 0.04 -0.21 -0.09 0.00 -0.71 0.00 0.00 52.86 51.89 2wr1 s ASN 243 Cb -0.13 -1.85 -0.05 0.00 0.41 0.00 0.00 41.25 39.64 2wr1 s ASN 243 CO 0.02 0.04 0.14 -0.36 -1.51 0.00 0.00 177.10 175.42 2wr1 s PHE 244 N 1.16 3.48 -0.18 2.20 0.08 -0.24 -1.09 117.98 123.40 2wr1 s PHE 244 Ca 0.03 0.41 -0.04 0.00 0.12 0.00 0.00 56.93 57.46 2wr1 s PHE 244 Cb -0.14 -2.08 0.09 0.00 -0.57 0.00 0.00 43.02 40.31 2wr1 s PHE 244 CO 0.02 0.46 0.25 -2.00 -0.10 0.00 0.00 175.22 173.85 2wr1 s GLU 245 N -0.17 0.19 -0.02 0.44 2.12 0.33 -2.26 118.70 119.33 2wr1 s GLU 245 Ca 0.11 0.42 -0.02 0.00 0.36 0.00 0.00 54.97 55.84 2wr1 s GLU 245 Cb -0.11 -0.72 0.00 0.00 0.26 0.00 0.00 34.13 33.56 2wr1 s GLU 245 CO 0.00 -0.52 0.06 0.45 -0.54 0.00 0.00 175.26 174.71 2wr1 s SER 246 N 2.38 -0.03 0.00 -1.70 0.15 -0.10 -0.92 113.70 113.48 2wr1 s SER 246 Ca 0.06 0.03 0.21 0.00 0.70 0.00 0.00 55.95 56.95 2wr1 s SER 246 Cb -0.14 0.13 0.54 0.00 -1.71 0.00 0.00 66.02 64.84 2wr1 s SER 246 CO -0.11 -0.08 1.45 0.35 1.20 0.00 0.00 173.24 176.05 2wr1 n THR 247 N 2.77 0.48 0.00 6.45 -2.24 -0.94 -0.09 114.28 120.71 2wr1 n THR 247 Ca -0.14 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 2wr1 n THR 247 Cb 0.59 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2wr1 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr1 n GLY 248 N 1.35 3.49 2.92 3.38 0.00 -1.25 -4.79 105.19 110.30 2wr1 n GLY 248 Ca 0.18 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2wr1 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr1 n ASN 249 N 0.00 0.00 -4.74 1.61 3.02 -1.26 -4.19 115.26 109.70 2wr1 n ASN 249 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 2wr1 n ASN 249 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 2wr1 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr1 s LEU 250 N 0.00 4.38 -0.40 3.41 2.96 -1.26 -1.52 118.68 126.25 2wr1 s LEU 250 Ca 0.00 2.71 -0.06 0.00 -0.22 0.00 0.00 54.13 56.56 2wr1 s LEU 250 Cb 0.00 -3.62 0.09 0.00 0.50 0.00 0.00 46.19 43.15 2wr1 s LEU 250 CO 0.00 -0.75 0.21 -0.63 -1.32 0.00 0.00 176.35 173.86 2wr1 s ILE 251 N 0.07 3.74 0.22 6.68 -1.09 0.40 -3.42 121.20 127.81 2wr1 s ILE 251 Ca 0.61 -1.63 -0.12 0.00 -2.23 0.00 0.00 60.65 57.28 2wr1 s ILE 251 Cb -0.43 -3.37 -0.07 0.00 -1.58 0.00 0.00 42.46 37.01 2wr1 s ILE 251 CO 0.43 -0.53 0.58 0.00 -1.23 0.00 0.00 174.94 174.19 2wr1 s ALA 252 N 1.30 3.53 0.44 9.38 0.00 -0.45 -1.12 121.76 134.85 2wr1 s ALA 252 Ca 0.04 -0.19 -0.21 0.00 0.00 0.00 0.00 51.96 51.59 2wr1 s ALA 252 Cb -0.23 -2.51 -0.10 0.00 0.00 0.00 0.00 23.12 20.29 2wr1 s ALA 252 CO -0.01 0.47 0.99 -1.25 0.00 0.00 0.00 175.76 175.97 2wr1 s PRO 253 N -2.62 4.08 -0.16 0.00 0.04 -1.25 -0.90 135.00 134.18 2wr1 s PRO 253 Ca 0.46 1.26 0.18 0.00 0.04 0.00 0.00 61.00 62.94 2wr1 s PRO 253 Cb -0.12 -2.22 -0.26 0.00 0.04 0.00 0.00 34.50 31.95 2wr1 s PRO 253 CO 0.20 -0.18 0.18 -1.91 0.04 0.00 0.00 177.00 175.33 2wr1 n GLU 254 N -0.64 0.68 -4.48 4.56 2.13 0.18 -4.64 120.64 118.42 2wr1 n GLU 254 Ca 0.07 -0.01 -0.24 0.00 0.66 0.00 0.00 57.16 57.65 2wr1 n GLU 254 Cb 0.53 -1.55 -0.10 0.00 0.27 0.00 0.00 31.44 30.59 2wr1 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr1 s TYR 255 N -2.63 2.27 0.33 4.31 2.02 -1.23 -1.03 117.35 121.38 2wr1 s TYR 255 Ca -0.09 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 2wr1 s TYR 255 Cb 0.07 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 2wr1 s TYR 255 CO 0.84 0.65 0.11 0.20 -1.57 0.00 0.00 175.55 175.78 2wr1 s GLY 256 N -3.52 2.16 -0.21 0.71 0.00 0.47 -4.69 107.32 102.24 2wr1 s GLY 256 Ca 0.30 -1.72 0.01 0.00 0.00 0.00 0.00 44.72 43.32 2wr1 s GLY 256 CO 0.15 -1.72 -0.08 -1.36 0.00 0.00 0.00 173.10 170.08 2wr1 s PHE 257 N -3.44 2.46 0.18 1.90 0.08 0.50 -0.55 117.98 119.11 2wr1 s PHE 257 Ca 0.33 -1.69 -0.31 0.00 0.12 0.00 0.00 56.93 55.38 2wr1 s PHE 257 Cb 0.06 -1.63 -0.10 0.00 -0.57 0.00 0.00 43.02 40.78 2wr1 s PHE 257 CO 0.15 -0.76 1.48 0.15 -0.10 0.00 0.00 175.22 176.14 2wr1 s LYS 258 N 1.38 4.26 -0.04 0.44 1.02 0.30 -0.32 119.74 126.78 2wr1 s LYS 258 Ca -0.03 2.27 -0.01 0.00 0.02 0.00 0.00 55.97 58.21 2wr1 s LYS 258 Cb -0.17 -3.16 0.03 0.00 -0.52 0.00 0.00 37.83 34.01 2wr1 s LYS 258 CO -0.07 -0.50 0.09 -1.50 -0.92 0.00 0.00 175.35 172.44 2wr1 s ILE 259 N 0.78 -0.05 -0.10 2.17 2.07 -0.57 -1.44 121.20 124.05 2wr1 s ILE 259 Ca 0.65 0.20 0.04 0.00 -1.41 0.00 0.00 60.65 60.13 2wr1 s ILE 259 Cb -0.41 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.02 2wr1 s ILE 259 CO 0.34 0.08 -0.23 -0.44 -1.91 0.00 0.00 174.94 172.79 2wr1 s SER 260 N 1.13 3.01 -0.08 4.50 0.01 -0.44 -3.90 113.70 117.93 2wr1 s SER 260 Ca -0.09 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 2wr1 s SER 260 Cb -0.12 -1.38 -0.03 0.00 0.21 0.00 0.00 66.02 64.70 2wr1 s SER 260 CO -0.04 0.14 -0.04 -0.54 0.41 0.00 0.00 173.24 173.16 2wr1 s LYS 261 N 0.45 2.93 -0.12 12.44 1.02 -1.26 0.14 119.74 135.33 2wr1 s LYS 261 Ca -0.17 -0.49 0.15 0.00 0.02 0.00 0.00 55.97 55.48 2wr1 s LYS 261 Cb -0.17 -2.70 0.42 0.00 -0.52 0.00 0.00 37.83 34.86 2wr1 s LYS 261 CO 0.07 0.63 1.33 -2.13 -0.92 0.00 0.00 175.35 174.33 2wr1 n ARG 262 N 2.33 2.71 0.00 1.68 0.63 -1.26 -4.85 116.66 117.91 2wr1 n ARG 262 Ca -0.18 -2.57 0.00 0.00 -0.92 0.00 0.00 57.85 54.18 2wr1 n ARG 262 Cb 0.53 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.81 2wr1 n ARG 262 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wr1 n GLY 263 N -0.41 0.90 3.59 5.14 0.00 -1.26 -5.09 105.19 108.07 2wr1 n GLY 263 Ca 0.17 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 2wr1 n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr1 s SER 264 N -1.28 4.16 0.00 1.61 1.04 -1.26 -4.46 113.70 113.51 2wr1 s SER 264 Ca 0.00 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2wr1 s SER 264 Cb 0.00 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.52 2wr1 s SER 264 CO 0.00 -0.06 0.00 -0.24 0.98 0.00 0.00 173.24 173.92 2wr1 n SER 265 N -0.83 0.83 -3.40 7.02 2.88 -1.26 -4.89 113.62 113.97 2wr1 n SER 265 Ca -0.05 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.45 2wr1 n SER 265 Cb 0.60 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.07 2wr1 n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wr1 s GLY 266 N 0.00 0.07 -0.13 0.46 0.00 -1.26 -4.71 107.32 101.74 2wr1 s GLY 266 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 44.72 44.38 2wr1 s GLY 266 CO 0.00 1.47 0.07 -0.42 0.00 0.00 0.00 173.10 174.23 2wr1 s ILE 267 N -2.46 4.90 -0.18 0.90 1.01 -1.26 -2.07 121.20 122.05 2wr1 s ILE 267 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 2wr1 s ILE 267 Cb -0.03 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 2wr1 s ILE 267 CO 0.05 0.56 -0.11 -0.32 0.00 0.00 0.00 174.94 175.13 2wr1 s MET 268 N -0.51 3.31 -0.36 2.79 -2.45 0.14 -4.79 119.30 117.43 2wr1 s MET 268 Ca 0.11 -0.69 -0.22 0.00 -1.25 0.00 0.00 55.69 53.64 2wr1 s MET 268 Cb -0.12 -2.78 0.01 0.00 1.25 0.00 0.00 34.83 33.19 2wr1 s MET 268 CO 0.02 -0.04 0.72 0.15 1.05 0.00 0.00 175.02 176.91 2wr1 s LYS 269 N 1.01 3.72 -0.09 4.11 -0.14 -1.26 -1.49 119.74 125.60 2wr1 s LYS 269 Ca -0.01 0.20 -0.30 0.00 -1.36 0.00 0.00 55.97 54.50 2wr1 s LYS 269 Cb -0.15 -3.81 0.12 0.00 -1.68 0.00 0.00 37.83 32.31 2wr1 s LYS 269 CO -0.02 -0.79 0.97 -0.08 -0.76 0.00 0.00 175.35 174.67 2wr1 s THR 270 N 2.91 0.00 -1.92 2.17 -1.32 -0.18 -4.86 115.64 112.44 2wr1 s THR 270 Ca 0.28 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.04 2wr1 s THR 270 Cb -0.14 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.28 2wr1 s THR 270 CO 0.16 0.00 1.73 -0.62 -2.21 0.00 0.00 174.62 173.68 2wr1 n GLU 271 N 0.21 1.01 -2.14 7.08 -0.58 -1.26 -3.87 120.64 121.09 2wr1 n GLU 271 Ca -0.08 -0.51 -0.33 0.00 -0.42 0.00 0.00 57.16 55.82 2wr1 n GLU 271 Cb 0.60 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 2wr1 n GLU 271 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wr1 s LYS 272 N -2.34 3.43 0.16 3.49 1.02 -1.26 -5.06 119.74 119.17 2wr1 s LYS 272 Ca 0.30 1.22 0.10 0.00 0.02 0.00 0.00 55.97 57.61 2wr1 s LYS 272 Cb 0.20 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 2wr1 s LYS 272 CO 0.45 -0.72 -0.17 0.95 -0.92 0.00 0.00 175.35 174.94 2wr1 s THR 273 N -2.39 2.82 0.38 2.17 -4.23 -1.26 -4.99 115.64 108.13 2wr1 s THR 273 Ca 0.64 -1.72 -0.27 0.00 -1.18 0.00 0.00 61.69 59.15 2wr1 s THR 273 Cb -0.16 -2.35 -0.11 0.00 1.34 0.00 0.00 72.50 71.22 2wr1 s THR 273 CO 0.34 -0.04 1.37 -0.11 -0.54 0.00 0.00 174.62 175.64 2wr1 n LEU 274 N 0.36 4.22 -0.12 4.79 7.94 -1.26 -4.21 117.00 128.71 2wr1 n LEU 274 Ca -0.13 1.19 0.03 0.00 -1.11 0.00 0.00 56.01 55.99 2wr1 n LEU 274 Cb 0.55 -1.55 0.04 0.00 0.53 0.00 0.00 43.42 42.98 2wr1 n LEU 274 CO 0.31 -0.24 0.41 -0.62 -1.11 0.00 0.00 177.39 176.14 2wr1 n GLU 275 N 0.37 1.21 -2.63 1.96 1.02 -0.68 -4.98 120.64 116.91 2wr1 n GLU 275 Ca 0.04 -1.44 -0.07 0.00 -0.02 0.00 0.00 57.16 55.66 2wr1 n GLU 275 Cb 0.38 -0.91 0.03 0.00 -0.02 0.00 0.00 31.44 30.93 2wr1 n GLU 275 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2wr1 n ASN 276 N -0.52 -5.33 -3.65 1.62 5.15 -1.26 -5.06 115.26 106.21 2wr1 n ASN 276 Ca 0.04 -0.34 -0.12 0.00 -0.60 0.00 0.00 54.58 53.56 2wr1 n ASN 276 Cb 0.51 -3.71 -0.05 0.00 -0.53 0.00 0.00 39.78 35.99 2wr1 n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wr1 s GLU 278 N -3.55 2.74 0.12 0.00 2.56 -1.26 -1.89 118.70 117.42 2wr1 s GLU 278 Ca 0.29 -0.64 -0.01 0.00 0.00 0.00 0.00 54.97 54.60 2wr1 s GLU 278 Cb 0.00 -2.50 -0.04 0.00 2.00 0.00 0.00 34.13 33.59 2wr1 s GLU 278 CO 0.15 0.57 0.06 -0.08 -0.56 0.00 0.00 175.26 175.40 2wr1 s THR 279 N -0.58 0.11 -0.67 -1.70 -1.32 -0.75 -4.92 115.64 105.81 2wr1 s THR 279 Ca 0.08 -1.87 0.08 0.00 -1.21 0.00 0.00 61.69 58.78 2wr1 s THR 279 Cb -0.11 -1.98 -0.02 0.00 -1.51 0.00 0.00 72.50 68.87 2wr1 s THR 279 CO 0.01 -0.51 0.51 0.29 -2.21 0.00 0.00 174.62 172.72 2wr1 n LYS 280 N -0.08 2.73 -3.52 7.08 4.01 -1.26 -2.82 118.16 124.30 2wr1 n LYS 280 Ca -0.06 -0.41 -0.12 0.00 -0.51 0.00 0.00 58.31 57.20 2wr1 n LYS 280 Cb 0.63 -0.99 -0.11 0.00 -0.51 0.00 0.00 35.03 34.06 2wr1 n LYS 280 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wr1 s GLN 282 N 2.48 2.89 0.30 0.00 2.00 0.25 -1.18 119.66 126.38 2wr1 s GLN 282 Ca 0.06 -0.62 0.09 0.00 -2.00 0.00 0.00 55.36 52.88 2wr1 s GLN 282 Cb -0.14 -2.56 -0.06 0.00 0.80 0.00 0.00 33.01 31.05 2wr1 s GLN 282 CO -0.12 0.52 -0.10 0.95 -0.50 0.00 0.00 175.29 176.03 2wr1 s THR 283 N -0.43 2.00 -1.50 -0.34 -4.23 -0.79 -0.29 115.64 110.05 2wr1 s THR 283 Ca 0.06 -2.21 0.14 0.00 -1.18 0.00 0.00 61.69 58.50 2wr1 s THR 283 Cb -0.12 -2.46 0.27 0.00 1.34 0.00 0.00 72.50 71.53 2wr1 s THR 283 CO 0.02 -0.31 1.38 -2.65 -0.54 0.00 0.00 174.62 172.52 2wr1 n PRO 284 N -0.64 0.24 -0.04 3.99 -0.02 -1.26 -2.08 135.00 135.17 2wr1 n PRO 284 Ca -0.05 0.13 0.01 0.00 -2.02 0.00 0.00 63.50 61.57 2wr1 n PRO 284 Cb 0.63 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.46 2wr1 n PRO 284 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wr1 n LEU 285 N -1.25 0.00 0.00 2.45 4.77 -1.26 -4.88 117.00 116.83 2wr1 n LEU 285 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2wr1 n LEU 285 Cb 0.11 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2wr1 n LEU 285 CO 0.11 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2wr1 n GLY 286 N 1.65 1.62 3.91 -0.72 0.00 -0.89 -4.09 105.19 106.67 2wr1 n GLY 286 Ca -0.15 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 2wr1 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr1 s ALA 287 N -2.00 3.59 -0.08 4.61 0.00 -0.96 -1.89 121.76 125.03 2wr1 s ALA 287 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2wr1 s ALA 287 Cb 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.78 2wr1 s ALA 287 CO 0.00 0.09 -0.17 0.42 0.00 0.00 0.00 175.76 176.10 2wr1 s ILE 288 N -2.24 2.77 -0.29 0.00 1.01 -0.33 -1.01 121.20 121.11 2wr1 s ILE 288 Ca 0.44 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 2wr1 s ILE 288 Cb -0.10 -2.09 0.09 0.00 0.01 0.00 0.00 42.46 40.36 2wr1 s ILE 288 CO 0.33 0.56 0.07 0.21 0.00 0.00 0.00 174.94 176.11 2wr1 s ASN 289 N -0.19 3.92 -0.04 3.58 2.47 -1.26 -4.10 114.94 119.31 2wr1 s ASN 289 Ca -0.01 -1.52 -0.27 0.00 0.42 0.00 0.00 52.86 51.48 2wr1 s ASN 289 Cb -0.13 -0.93 0.06 0.00 -1.45 0.00 0.00 41.25 38.80 2wr1 s ASN 289 CO 0.03 -0.38 0.58 0.28 -3.72 0.00 0.00 177.10 173.89 2wr1 s THR 290 N 1.56 0.02 -0.13 -5.21 -1.32 -1.26 -5.02 115.64 104.27 2wr1 s THR 290 Ca 0.07 -0.13 0.19 0.00 -1.21 0.00 0.00 61.69 60.61 2wr1 s THR 290 Cb -0.18 -0.90 -0.18 0.00 -1.51 0.00 0.00 72.50 69.74 2wr1 s THR 290 CO -0.19 -0.07 0.66 0.35 -2.21 0.00 0.00 174.62 173.16 2wr1 n THR 291 N 1.01 0.80 -1.63 5.08 -2.24 -1.26 -4.98 114.28 111.07 2wr1 n THR 291 Ca -0.20 -0.64 -0.40 0.00 -2.27 0.00 0.00 64.05 60.55 2wr1 n THR 291 Cb 0.57 -0.43 0.03 0.00 -2.10 0.00 0.00 70.33 68.40 2wr1 n THR 291 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wr1 n LEU 292 N -2.66 3.25 0.16 3.22 4.77 -1.26 -4.92 117.00 119.55 2wr1 n LEU 292 Ca -0.10 0.95 0.12 0.00 -0.03 0.00 0.00 56.01 56.96 2wr1 n LEU 292 Cb 0.76 -1.39 0.28 0.00 -2.33 0.00 0.00 43.42 40.74 2wr1 n LEU 292 CO 0.43 -1.51 0.80 1.55 -1.33 0.00 0.00 177.39 177.34 2wr1 h PRO 293 N 1.21 0.00 -5.22 3.23 0.14 -1.86 -3.43 132.00 126.07 2wr1 h PRO 293 Ca -0.47 0.00 -0.36 0.00 0.14 0.00 0.00 66.00 65.31 2wr1 h PRO 293 Cb 1.34 0.00 -0.14 0.00 0.14 0.00 0.00 31.00 32.34 2wr1 h PRO 293 CO 0.55 0.00 -0.72 -0.06 0.14 0.00 0.00 178.00 177.91 2wr1 s PHE 294 N -3.16 1.40 0.16 1.56 0.08 -1.20 -1.44 117.98 115.38 2wr1 s PHE 294 Ca 0.08 -0.71 -0.15 0.00 0.12 0.00 0.00 56.93 56.28 2wr1 s PHE 294 Cb 0.09 -0.69 0.02 0.00 -0.57 0.00 0.00 43.02 41.87 2wr1 s PHE 294 CO 0.64 0.16 0.43 -3.38 -0.10 0.00 0.00 175.22 172.97 2wr1 s HIS 295 N -3.22 -0.05 -0.12 0.36 -3.43 -0.55 0.07 115.29 108.35 2wr1 s HIS 295 Ca 0.19 -0.29 0.21 0.00 -0.80 0.00 0.00 55.06 54.37 2wr1 s HIS 295 Cb 0.02 0.25 0.45 0.00 -1.43 0.00 0.00 32.58 31.87 2wr1 s HIS 295 CO 0.03 -0.79 1.17 0.27 -2.00 0.00 0.00 174.74 173.41 2wr1 n ASN 296 N -0.27 1.56 -0.02 7.38 0.23 -1.09 -1.45 115.26 121.61 2wr1 n ASN 296 Ca -0.12 -2.46 -0.16 0.00 -0.53 0.00 0.00 54.58 51.31 2wr1 n ASN 296 Cb 0.63 -0.38 -0.12 0.00 -2.08 0.00 0.00 39.78 37.83 2wr1 n ASN 296 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2wr1 h ILE 297 N 5.28 1.57 -1.23 1.53 5.03 -1.91 -3.48 117.51 124.30 2wr1 h ILE 297 Ca -0.12 -2.07 0.16 0.00 -0.12 0.00 0.00 64.86 62.71 2wr1 h ILE 297 Cb 1.57 2.89 -0.31 0.00 -3.03 0.00 0.00 36.82 37.94 2wr1 h ILE 297 CO 0.15 0.57 0.68 -2.28 -0.68 0.00 0.00 178.15 176.59 2wr1 s HIS 298 N -2.93 -0.22 0.30 1.37 5.04 -1.26 -5.05 115.29 112.54 2wr1 s HIS 298 Ca -0.16 0.47 0.11 0.00 -1.54 0.00 0.00 55.06 53.94 2wr1 s HIS 298 Cb 0.00 0.29 0.48 0.00 0.04 0.00 0.00 32.58 33.39 2wr1 s HIS 298 CO 0.75 -0.11 1.68 -1.00 -2.34 0.00 0.00 174.74 173.73 2wr1 h PRO 299 N 4.52 0.00 -4.53 2.88 0.13 -1.98 -3.39 132.00 129.63 2wr1 h PRO 299 Ca -0.27 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.11 2wr1 h PRO 299 Cb 1.18 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 2wr1 h PRO 299 CO 0.19 0.53 1.26 1.28 -0.23 0.00 0.00 178.00 181.03 2wr1 n LEU 300 N -3.89 5.32 -4.91 1.56 4.77 -1.26 -4.85 117.00 113.74 2wr1 n LEU 300 Ca -0.01 -4.55 -0.22 0.00 -0.03 0.00 0.00 56.01 51.19 2wr1 n LEU 300 Cb 0.55 -1.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.01 2wr1 n LEU 300 CO 0.41 0.84 -0.10 0.42 -1.33 0.00 0.00 177.39 177.64 2wr1 s THR 301 N 1.09 5.00 -0.10 -5.08 -4.23 -1.26 -4.23 115.64 106.82 2wr1 s THR 301 Ca 0.41 -1.06 -0.00 0.00 -1.18 0.00 0.00 61.69 59.86 2wr1 s THR 301 Cb -0.03 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.15 2wr1 s THR 301 CO -0.01 -0.28 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.08 2wr1 s ILE 302 N -1.97 0.99 -4.16 2.99 1.01 0.60 -1.86 121.20 118.80 2wr1 s ILE 302 Ca 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2wr1 s ILE 302 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.38 2wr1 s ILE 302 CO 0.27 0.36 0.00 0.61 0.00 0.00 0.00 174.94 176.18 2wr1 n GLY 303 N 4.77 0.67 3.16 6.18 0.00 -0.69 -0.59 105.19 118.70 2wr1 n GLY 303 Ca -0.14 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 2wr1 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr1 s GLU 304 N -1.84 2.59 0.28 1.61 2.02 0.03 -1.22 118.70 122.18 2wr1 s GLU 304 Ca 0.00 -2.20 0.12 0.00 0.02 0.00 0.00 54.97 52.91 2wr1 s GLU 304 Cb 0.00 -3.86 -0.05 0.00 0.10 0.00 0.00 34.13 30.32 2wr1 s GLU 304 CO 0.00 -1.18 -0.20 0.00 0.02 0.00 0.00 175.26 173.90 2wr1 s PRO 306 N -3.51 0.91 0.10 0.00 0.02 -1.26 -4.85 135.00 126.40 2wr1 s PRO 306 Ca 0.30 0.79 -0.31 0.00 0.02 0.00 0.00 61.00 61.80 2wr1 s PRO 306 Cb -0.05 -1.77 -0.08 0.00 0.02 0.00 0.00 34.50 32.63 2wr1 s PRO 306 CO 0.15 -2.47 1.36 0.15 -0.33 0.00 0.00 177.00 175.86 2wr1 s LYS 307 N -4.89 4.34 -0.04 5.54 -0.14 -0.52 -4.72 119.74 119.30 2wr1 s LYS 307 Ca 0.64 2.02 -0.30 0.00 -1.36 0.00 0.00 55.97 56.98 2wr1 s LYS 307 Cb -0.19 -3.27 -0.04 0.00 -1.68 0.00 0.00 37.83 32.65 2wr1 s LYS 307 CO 0.58 -0.41 1.27 -0.47 -0.76 0.00 0.00 175.35 175.56 2wr1 s TYR 308 N 1.12 3.07 0.14 3.18 5.04 -1.26 -1.48 117.35 127.15 2wr1 s TYR 308 Ca 0.64 1.07 0.07 0.00 -2.44 0.00 0.00 57.07 56.41 2wr1 s TYR 308 Cb -0.36 -3.51 -0.04 0.00 0.35 0.00 0.00 41.96 38.41 2wr1 s TYR 308 CO 0.30 -1.71 -0.15 0.14 -1.34 0.00 0.00 175.55 172.79 2wr1 s VAL 309 N 2.30 1.49 -1.24 3.14 -7.23 -0.53 -4.79 120.40 113.54 2wr1 s VAL 309 Ca 0.59 -1.81 -0.13 0.00 -1.81 0.00 0.00 61.98 58.81 2wr1 s VAL 309 Cb -0.27 -1.66 0.16 0.00 0.56 0.00 0.00 36.38 35.17 2wr1 s VAL 309 CO 0.23 -0.40 1.60 0.29 -0.31 0.00 0.00 175.10 176.51 2wr1 n LYS 310 N 0.40 3.41 -3.68 4.82 5.02 -1.26 -4.49 118.16 122.38 2wr1 n LYS 310 Ca -0.14 -3.69 -0.14 0.00 -2.02 0.00 0.00 58.31 52.32 2wr1 n LYS 310 Cb 0.57 -3.06 -0.08 0.00 -0.02 0.00 0.00 35.03 32.44 2wr1 n LYS 310 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wr1 s SER 311 N 2.44 -0.46 0.00 4.39 0.15 -1.26 -5.01 113.70 113.96 2wr1 s SER 311 Ca 0.43 0.66 0.22 0.00 0.70 0.00 0.00 55.95 57.96 2wr1 s SER 311 Cb 0.01 0.69 -0.17 0.00 -1.71 0.00 0.00 66.02 64.85 2wr1 s SER 311 CO 0.01 -0.37 0.83 0.47 1.20 0.00 0.00 173.24 175.38 2wr1 n ASP 312 N 1.87 0.61 -3.56 5.45 8.00 -1.26 -4.81 116.55 122.85 2wr1 n ASP 312 Ca -0.17 -0.50 -0.01 0.00 0.71 0.00 0.00 54.79 54.82 2wr1 n ASP 312 Cb 0.56 1.21 -0.05 0.00 -0.02 0.00 0.00 41.12 42.82 2wr1 n ASP 312 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wr1 s ARG 313 N -3.20 0.42 -0.34 -1.24 3.52 -1.26 -5.10 118.95 111.75 2wr1 s ARG 313 Ca 0.02 0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 56.47 2wr1 s ARG 313 Cb 0.15 0.31 0.12 0.00 -1.56 0.00 0.00 34.95 33.97 2wr1 s ARG 313 CO 0.86 -0.11 0.17 -0.51 -0.81 0.00 0.00 175.30 174.90 2wr1 s LEU 314 N 1.95 1.40 -0.24 -0.88 1.43 -1.26 -5.03 118.68 116.05 2wr1 s LEU 314 Ca -0.07 -1.88 -0.03 0.00 -1.03 0.00 0.00 54.13 51.12 2wr1 s LEU 314 Cb -0.06 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.59 2wr1 s LEU 314 CO -0.17 -0.36 -0.05 -0.69 0.23 0.00 0.00 176.35 175.31 2wr1 s VAL 315 N 1.37 3.10 -0.01 -1.59 1.01 -1.26 -1.46 120.40 121.55 2wr1 s VAL 315 Ca 0.14 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 2wr1 s VAL 315 Cb -0.20 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2wr1 s VAL 315 CO -0.16 0.26 0.78 -0.76 0.00 0.00 0.00 175.10 175.23 2wr1 s LEU 316 N 1.39 4.38 0.30 3.92 1.43 0.78 -4.70 118.68 126.17 2wr1 s LEU 316 Ca 0.02 1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 54.22 2wr1 s LEU 316 Cb -0.16 -3.24 -0.10 0.00 0.03 0.00 0.00 46.19 42.72 2wr1 s LEU 316 CO -0.04 -0.10 1.23 0.00 0.23 0.00 0.00 176.35 177.67 2wr1 s ALA 317 N 0.54 3.46 -0.02 4.21 0.00 -1.26 -0.08 121.76 128.61 2wr1 s ALA 317 Ca 0.41 1.11 -0.00 0.00 0.00 0.00 0.00 51.96 53.47 2wr1 s ALA 317 Cb -0.19 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2wr1 s ALA 317 CO 0.22 -0.44 -0.03 0.25 0.00 0.00 0.00 175.76 175.76 2wr1 n THR 318 N 1.13 0.14 -1.05 0.00 -2.24 -0.76 -4.83 114.28 106.66 2wr1 n THR 318 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2wr1 n THR 318 Cb 0.43 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 2wr1 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr1 n GLY 319 N 3.21 -0.98 3.99 3.38 0.00 -0.68 -4.98 105.19 109.14 2wr1 n GLY 319 Ca -0.05 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.09 2wr1 n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wr1 s LEU 320 N 0.00 3.63 0.08 0.99 2.34 -1.26 -4.71 118.68 119.75 2wr1 s LEU 320 Ca 0.00 -0.18 -0.36 0.00 0.06 0.00 0.00 54.13 53.65 2wr1 s LEU 320 Cb 0.00 -2.79 -0.16 0.00 -0.56 0.00 0.00 46.19 42.68 2wr1 s LEU 320 CO 0.00 -0.78 1.44 -1.14 -1.06 0.00 0.00 176.35 174.81 2wr1 n ARG 321 N -1.96 1.46 -2.91 1.48 0.63 -1.26 -1.29 116.66 112.81 2wr1 n ARG 321 Ca 0.05 0.53 -0.43 0.00 -0.92 0.00 0.00 57.85 57.08 2wr1 n ARG 321 Cb 0.59 -2.21 -0.05 0.00 0.45 0.00 0.00 32.46 31.24 2wr1 n ARG 321 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2wr1 s ASN 322 N 0.87 6.41 -0.68 6.15 2.47 -0.55 -4.74 114.94 124.87 2wr1 s ASN 322 Ca 0.84 -0.15 0.05 0.00 0.42 0.00 0.00 52.86 54.02 2wr1 s ASN 322 Cb -0.88 -2.41 0.22 0.00 -1.45 0.00 0.00 41.25 36.74 2wr1 s ASN 322 CO 0.45 -1.03 0.67 0.52 -3.72 0.00 0.00 177.10 174.00 2wr1 n VAL 323 N 6.20 2.19 0.70 -5.21 0.31 -1.26 -4.82 118.33 116.44 2wr1 n VAL 323 Ca 0.03 -5.11 -0.02 0.00 -0.01 0.00 0.00 64.34 59.22 2wr1 n VAL 323 Cb 0.48 -2.14 0.03 0.00 -0.91 0.00 0.00 33.84 31.30 2wr1 n VAL 323 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2wr1 n PRO 324 N 1.28 1.26 0.00 5.55 -0.02 -1.26 0.15 135.00 141.95 2wr1 n PRO 324 Ca 0.26 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2wr1 n PRO 324 Cb 0.39 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 2wr1 n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wr1 n GLY 330 N 0.23 3.63 0.30 -1.23 0.00 -1.26 -4.75 105.19 102.11 2wr1 n GLY 330 Ca 0.07 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.71 2wr1 n GLY 330 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wr1 h LEU 331 N 0.00 0.00 -1.21 0.99 3.38 -1.93 -2.60 115.31 113.94 2wr1 h LEU 331 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wr1 h LEU 331 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wr1 h LEU 331 CO 0.00 0.00 -0.26 0.49 0.09 0.00 0.00 178.44 178.76 2wr1 n PHE 332 N -4.34 0.00 -0.99 1.13 3.72 -1.26 -4.99 117.46 110.73 2wr1 n PHE 332 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2wr1 n PHE 332 Cb 0.21 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2wr1 n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wr1 n GLY 333 N 1.21 0.55 0.09 1.37 0.00 -0.98 -4.89 105.19 102.55 2wr1 n GLY 333 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 2wr1 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr1 n ALA 334 N 1.00 0.87 -2.00 4.61 0.00 -1.26 -1.96 120.51 121.76 2wr1 n ALA 334 Ca 0.00 -0.80 -0.42 0.00 0.00 0.00 0.00 53.44 52.22 2wr1 n ALA 334 Cb 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 2wr1 n ALA 334 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wr1 s ILE 335 N -2.78 2.86 -1.02 0.00 1.01 -1.26 0.11 121.20 120.11 2wr1 s ILE 335 Ca -0.29 0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.96 2wr1 s ILE 335 Cb 0.05 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.14 2wr1 s ILE 335 CO 0.42 0.04 0.00 0.00 0.00 0.00 0.00 174.94 175.40 2wr1 n ALA 336 N 4.14 -0.77 -2.85 9.38 0.00 -1.05 -4.40 120.51 124.96 2wr1 n ALA 336 Ca 0.13 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2wr1 n ALA 336 Cb 0.40 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2wr1 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr1 n GLY 337 N -0.77 2.16 0.12 0.00 0.00 0.12 -4.88 105.19 101.93 2wr1 n GLY 337 Ca -0.14 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 45.93 2wr1 n GLY 337 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2wr1 n PHE 338 N 0.00 0.90 -3.46 1.61 1.16 -0.83 -3.80 117.46 113.04 2wr1 n PHE 338 Ca 0.00 0.31 -0.43 0.00 -1.87 0.00 0.00 57.45 55.46 2wr1 n PHE 338 Cb 0.00 -1.00 -0.07 0.00 -1.61 0.00 0.00 39.48 36.80 2wr1 n PHE 338 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wr1 s ILE 339 N -3.24 4.64 0.41 1.97 1.01 -0.65 -4.06 121.20 121.29 2wr1 s ILE 339 Ca 0.07 -1.77 0.13 0.00 0.00 0.00 0.00 60.65 59.09 2wr1 s ILE 339 Cb 0.10 -4.01 0.14 0.00 0.01 0.00 0.00 42.46 38.70 2wr1 s ILE 339 CO 0.48 -0.83 1.91 -0.33 0.00 0.00 0.00 174.94 176.18 2wr1 h GLU 340 N 8.52 0.00 -3.71 2.79 5.08 -1.81 -2.79 114.58 122.67 2wr1 h GLU 340 Ca -0.22 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 2wr1 h GLU 340 Cb 1.08 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.19 2wr1 h GLU 340 CO 0.91 0.27 -0.28 0.20 -1.00 0.00 0.00 179.01 179.12 2wr1 s GLY 341 N -4.24 0.07 0.86 -3.84 0.00 -1.26 -4.51 107.32 94.39 2wr1 s GLY 341 Ca -0.03 -0.52 -0.13 0.00 0.00 0.00 0.00 44.72 44.04 2wr1 s GLY 341 CO 0.71 -0.68 1.21 -0.32 0.00 0.00 0.00 173.10 174.03 2wr1 s GLY 342 N -2.87 1.69 -0.28 0.20 0.00 0.38 -4.73 107.32 101.72 2wr1 s GLY 342 Ca 0.07 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.83 2wr1 s GLY 342 CO -0.09 -0.36 -0.05 -0.98 0.00 0.00 0.00 173.10 171.61 2wr1 s TRP 343 N -3.65 3.28 0.15 1.90 0.51 0.98 -4.79 118.94 117.31 2wr1 s TRP 343 Ca 0.67 -2.12 0.33 0.00 -2.12 0.00 0.00 56.10 52.86 2wr1 s TRP 343 Cb -0.08 -2.04 1.38 0.00 -0.81 0.00 0.00 33.47 31.92 2wr1 s TRP 343 CO 0.50 -0.84 1.99 1.96 -0.51 0.00 0.00 176.95 180.05 2wr1 h GLN 344 N 7.88 0.00 0.00 4.98 4.20 -1.87 -2.47 115.11 127.83 2wr1 h GLN 344 Ca -0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2wr1 h GLN 344 Cb 1.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 2wr1 h GLN 344 CO 0.50 0.03 0.00 0.41 -0.67 0.00 0.00 178.83 179.10 2wr1 n GLY 345 N -0.04 -1.36 3.32 3.46 0.00 -1.26 -4.59 105.19 104.72 2wr1 n GLY 345 Ca 0.00 -0.09 -0.46 0.00 0.00 0.00 0.00 46.02 45.48 2wr1 n GLY 345 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wr1 s MET 346 N -2.95 2.97 -0.03 1.61 -2.45 -1.17 -4.92 119.30 112.36 2wr1 s MET 346 Ca 0.14 -1.66 0.19 0.00 -1.25 0.00 0.00 55.69 53.11 2wr1 s MET 346 Cb 0.17 -4.26 -0.30 0.00 1.25 0.00 0.00 34.83 31.69 2wr1 s MET 346 CO 0.46 -1.28 0.42 1.33 1.05 0.00 0.00 175.02 177.00 2wr1 n VAL 347 N 5.23 0.02 -0.50 10.11 0.24 -1.26 -4.37 118.33 127.80 2wr1 n VAL 347 Ca -0.14 -0.45 0.08 0.00 -2.04 0.00 0.00 64.34 61.80 2wr1 n VAL 347 Cb 0.41 0.05 0.34 0.00 -1.47 0.00 0.00 33.84 33.17 2wr1 n VAL 347 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wr1 n ASP 348 N -2.18 4.64 -3.58 -1.34 5.68 -1.26 -4.97 116.55 113.54 2wr1 n ASP 348 Ca -0.04 -2.50 -0.10 0.00 -0.50 0.00 0.00 54.79 51.65 2wr1 n ASP 348 Cb 0.51 -0.58 -0.02 0.00 -1.14 0.00 0.00 41.12 39.89 2wr1 n ASP 348 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2wr1 s GLY 349 N -0.83 -0.42 0.07 6.12 0.00 -1.26 -4.92 107.32 106.07 2wr1 s GLY 349 Ca 0.48 0.20 0.08 0.00 0.00 0.00 0.00 44.72 45.48 2wr1 s GLY 349 CO 0.21 0.07 1.08 1.49 0.00 0.00 0.00 173.10 175.95 2wr1 h TRP 350 N 2.00 0.03 -3.94 1.90 6.55 -1.90 -3.39 115.95 117.20 2wr1 h TRP 350 Ca -0.29 -0.02 -0.34 0.00 0.95 0.00 0.00 58.89 59.20 2wr1 h TRP 350 Cb 1.29 -0.00 -0.21 0.00 -0.86 0.00 0.00 29.16 29.38 2wr1 h TRP 350 CO 0.30 1.02 -0.75 0.71 -1.05 0.00 0.00 178.44 178.67 2wr1 s TYR 351 N -2.67 0.93 -1.64 0.49 2.02 -1.26 -0.22 117.35 115.00 2wr1 s TYR 351 Ca -0.01 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 2wr1 s TYR 351 Cb 0.09 -0.54 0.00 0.00 -0.40 0.00 0.00 41.96 41.11 2wr1 s TYR 351 CO 0.82 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 175.20 2wr1 n GLY 352 N 1.31 -0.58 3.25 0.71 0.00 -0.53 0.42 105.19 109.76 2wr1 n GLY 352 Ca -0.22 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 44.96 2wr1 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr1 s TYR 353 N -3.24 1.37 -0.03 1.61 2.02 0.32 -0.68 117.35 118.72 2wr1 s TYR 353 Ca 0.00 -0.63 0.02 0.00 -0.37 0.00 0.00 57.07 56.09 2wr1 s TYR 353 Cb 0.00 -0.70 0.01 0.00 -0.40 0.00 0.00 41.96 40.87 2wr1 s TYR 353 CO 0.00 0.14 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.47 2wr1 s HIS 354 N -2.65 0.81 0.29 2.71 5.65 -0.20 -0.17 115.29 121.73 2wr1 s HIS 354 Ca 0.13 -0.21 0.06 0.00 0.25 0.00 0.00 55.06 55.29 2wr1 s HIS 354 Cb -0.02 -0.62 -0.06 0.00 -1.18 0.00 0.00 32.58 30.70 2wr1 s HIS 354 CO 0.02 -0.13 -0.04 -3.38 -0.65 0.00 0.00 174.74 170.56 2wr1 s HIS 355 N 0.46 1.96 -0.24 3.88 -3.43 0.42 0.38 115.29 118.72 2wr1 s HIS 355 Ca -0.06 -0.73 -0.09 0.00 -0.80 0.00 0.00 55.06 53.37 2wr1 s HIS 355 Cb -0.10 -1.14 0.10 0.00 -1.43 0.00 0.00 32.58 30.00 2wr1 s HIS 355 CO 0.00 0.25 0.52 0.45 -2.00 0.00 0.00 174.74 173.97 2wr1 s SER 356 N -3.45 -0.65 0.00 7.38 0.15 0.15 -4.05 113.70 113.23 2wr1 s SER 356 Ca 0.30 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.18 2wr1 s SER 356 Cb 0.04 1.56 0.00 0.00 -1.71 0.00 0.00 66.02 65.92 2wr1 s SER 356 CO 0.12 -0.22 0.00 -0.46 1.20 0.00 0.00 173.24 173.88 2wr1 n ASN 357 N 5.11 0.00 0.28 5.45 0.23 -0.43 -0.18 115.26 125.72 2wr1 n ASN 357 Ca -0.13 -0.79 0.14 0.00 -0.53 0.00 0.00 54.58 53.27 2wr1 n ASN 357 Cb 0.51 0.00 0.83 0.00 -2.08 0.00 0.00 39.78 39.05 2wr1 n ASN 357 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2wr1 h ASP 358 N 0.00 0.00 0.07 0.53 3.32 -2.00 -2.03 116.42 116.31 2wr1 h ASP 358 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wr1 h ASP 358 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2wr1 h ASP 358 CO 0.00 0.06 -0.15 0.00 -1.72 0.00 0.00 179.24 177.43 2wr1 n GLN 359 N -3.66 1.42 0.00 3.56 6.02 -1.26 -5.06 117.38 118.39 2wr1 n GLN 359 Ca -0.02 -0.94 0.00 0.00 -0.01 0.00 0.00 57.00 56.02 2wr1 n GLN 359 Cb 0.17 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.95 2wr1 n GLN 359 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wr1 n GLY 360 N 1.29 0.84 3.62 1.08 0.00 -0.76 -5.10 105.19 106.15 2wr1 n GLY 360 Ca 0.15 -1.97 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 2wr1 n GLY 360 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr1 s SER 361 N -4.00 -0.15 0.00 1.61 1.04 -1.26 -1.31 113.70 109.63 2wr1 s SER 361 Ca 0.00 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2wr1 s SER 361 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2wr1 s SER 361 CO 0.00 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2wr1 n GLY 362 N 0.56 0.19 3.73 7.32 0.00 -1.26 -5.03 105.19 110.71 2wr1 n GLY 362 Ca -0.03 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2wr1 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr1 s TYR 363 N -0.99 3.77 -0.18 1.61 2.02 -1.26 -0.44 117.35 121.89 2wr1 s TYR 363 Ca 0.00 1.65 -0.04 0.00 -0.37 0.00 0.00 57.07 58.31 2wr1 s TYR 363 Cb 0.00 -2.96 0.09 0.00 -0.40 0.00 0.00 41.96 38.69 2wr1 s TYR 363 CO 0.00 0.22 0.25 0.00 -1.57 0.00 0.00 175.55 174.45 2wr1 s ALA 364 N 0.04 -0.46 0.47 3.71 0.00 0.76 -4.98 121.76 121.30 2wr1 s ALA 364 Ca 0.44 0.59 -0.23 0.00 0.00 0.00 0.00 51.96 52.75 2wr1 s ALA 364 Cb -0.22 -1.23 -0.07 0.00 0.00 0.00 0.00 23.12 21.60 2wr1 s ALA 364 CO 0.27 -0.98 1.24 0.00 0.00 0.00 0.00 175.76 176.29 2wr1 s ALA 365 N 2.38 3.00 -0.49 0.00 0.00 -1.26 -0.52 121.76 124.87 2wr1 s ALA 365 Ca 0.05 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 2wr1 s ALA 365 Cb -0.14 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.58 2wr1 s ALA 365 CO -0.11 -0.86 0.60 0.34 0.00 0.00 0.00 175.76 175.73 2wr1 s ASP 366 N -1.13 6.23 0.19 0.00 2.15 0.17 -4.85 116.67 119.43 2wr1 s ASP 366 Ca 0.64 -0.85 0.02 0.00 0.43 0.00 0.00 52.55 52.79 2wr1 s ASP 366 Cb -0.33 -2.28 0.08 0.00 -0.30 0.00 0.00 42.92 40.09 2wr1 s ASP 366 CO 0.41 -0.83 1.44 0.50 -0.17 0.00 0.00 175.17 176.52 2wr1 h LYS 367 N 8.94 0.27 0.70 4.34 1.63 -1.92 -1.91 116.57 128.62 2wr1 h LYS 367 Ca -0.27 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 59.26 2wr1 h LYS 367 Cb 1.10 0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.79 2wr1 h LYS 367 CO 0.93 0.91 -0.34 1.49 -3.45 0.00 0.00 179.45 178.99 2wr1 h GLU 368 N 0.18 -0.91 0.00 1.90 4.81 -1.97 -0.98 114.58 117.60 2wr1 h GLU 368 Ca -0.03 0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 2wr1 h GLU 368 Cb 1.34 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.90 2wr1 h GLU 368 CO 0.12 -0.60 -0.65 0.66 -0.73 0.00 0.00 179.01 177.80 2wr1 h SER 369 N -0.94 0.00 -0.24 1.04 4.64 -1.96 -2.41 113.55 113.68 2wr1 h SER 369 Ca -0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 2wr1 h SER 369 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2wr1 h SER 369 CO 0.16 0.65 0.11 0.74 -0.87 0.00 0.00 176.83 177.63 2wr1 h THR 370 N 0.00 1.14 -0.37 2.95 2.02 -1.31 -2.43 112.91 114.91 2wr1 h THR 370 Ca -0.01 -0.41 -0.15 0.00 0.77 0.00 0.00 66.41 66.62 2wr1 h THR 370 Cb 1.22 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 2wr1 h THR 370 CO 0.09 0.14 -0.36 -0.61 0.37 0.00 0.00 175.52 175.15 2wr1 h GLN 371 N 0.25 0.89 -0.91 6.66 5.75 -1.11 -0.38 115.11 126.27 2wr1 h GLN 371 Ca 0.08 -0.47 0.03 0.00 -0.15 0.00 0.00 58.65 58.14 2wr1 h GLN 371 Cb 0.12 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.63 2wr1 h GLN 371 CO -0.01 1.12 0.59 -0.22 -2.65 0.00 0.00 178.83 177.66 2wr1 h LYS 372 N 0.70 1.13 -0.30 1.69 3.64 -1.44 -0.89 116.57 121.10 2wr1 h LYS 372 Ca 0.06 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2wr1 h LYS 372 Cb 0.95 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2wr1 h LYS 372 CO 0.09 0.75 -0.12 0.00 -2.27 0.00 0.00 179.45 177.89 2wr1 h ALA 373 N 1.37 0.42 -0.19 5.00 0.00 -0.91 -2.21 119.26 122.74 2wr1 h ALA 373 Ca 0.36 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wr1 h ALA 373 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2wr1 h ALA 373 CO -0.11 0.29 0.09 0.27 0.00 0.00 0.00 179.25 179.78 2wr1 h PHE 374 N 0.37 0.16 -0.63 0.00 -0.00 -0.79 -0.33 116.94 115.72 2wr1 h PHE 374 Ca 0.07 0.01 0.07 0.00 -0.00 0.00 0.00 57.97 58.11 2wr1 h PHE 374 Cb 0.63 -0.05 -0.06 0.00 -0.00 0.00 0.00 35.95 36.48 2wr1 h PHE 374 CO 0.06 0.09 0.32 -0.44 -0.00 0.00 0.00 178.31 178.34 2wr1 h ASP 375 N 0.19 0.45 -0.13 -0.68 3.32 -1.15 0.90 116.42 119.33 2wr1 h ASP 375 Ca 0.08 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2wr1 h ASP 375 Cb 0.02 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2wr1 h ASP 375 CO -0.06 0.29 0.06 1.23 -1.72 0.00 0.00 179.24 179.04 2wr1 h GLY 376 N 0.59 0.20 1.43 2.75 0.00 -0.84 -1.25 103.07 105.95 2wr1 h GLY 376 Ca 0.29 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 2wr1 h GLY 376 CO -0.21 0.09 -0.37 -2.22 0.00 0.00 0.00 176.54 173.83 2wr1 h ILE 377 N 0.09 1.29 -0.76 2.60 1.08 -0.84 -0.79 117.51 120.17 2wr1 h ILE 377 Ca 0.04 -1.52 0.07 0.00 -0.39 0.00 0.00 64.86 63.06 2wr1 h ILE 377 Cb 0.11 1.48 -0.06 0.00 -3.07 0.00 0.00 36.82 35.28 2wr1 h ILE 377 CO -0.01 0.49 0.45 0.74 -0.69 0.00 0.00 178.15 179.13 2wr1 h THR 378 N 0.52 0.98 -0.50 -0.27 2.02 -0.67 -1.28 112.91 113.72 2wr1 h THR 378 Ca 0.05 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 2wr1 h THR 378 Cb 0.88 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2wr1 h THR 378 CO 0.08 0.15 0.01 0.78 0.37 0.00 0.00 175.52 176.91 2wr1 h ASN 379 N 0.80 0.85 -0.22 4.18 2.35 -0.70 -0.66 115.58 122.17 2wr1 h ASN 379 Ca 0.35 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2wr1 h ASN 379 Cb 0.22 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 2wr1 h ASN 379 CO -0.19 0.94 -0.04 0.50 -1.65 0.00 0.00 177.43 176.98 2wr1 h LYS 380 N 0.73 0.02 -0.01 0.81 3.64 -0.74 0.96 116.57 121.97 2wr1 h LYS 380 Ca 0.14 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2wr1 h LYS 380 Cb 0.50 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2wr1 h LYS 380 CO 0.02 0.01 0.00 0.28 -2.27 0.00 0.00 179.45 177.50 2wr1 h VAL 381 N 0.02 1.20 -0.66 2.00 2.07 -1.11 -1.64 116.25 118.13 2wr1 h VAL 381 Ca 0.10 -0.58 0.11 0.00 0.82 0.00 0.00 66.70 67.15 2wr1 h VAL 381 Cb 0.15 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 2wr1 h VAL 381 CO -0.21 0.15 0.25 0.78 0.02 0.00 0.00 177.57 178.56 2wr1 h ASN 382 N -0.22 0.24 0.01 0.57 -0.26 -0.92 -0.64 115.58 114.36 2wr1 h ASN 382 Ca 0.00 0.09 0.02 0.00 -0.56 0.00 0.00 56.30 55.86 2wr1 h ASN 382 Cb 0.25 0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.54 2wr1 h ASN 382 CO 0.00 0.13 -0.18 0.28 -1.06 0.00 0.00 177.43 176.59 2wr1 h SER 383 N 0.42 -0.53 -0.86 5.81 0.02 -0.46 0.54 113.55 118.50 2wr1 h SER 383 Ca 0.34 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2wr1 h SER 383 Cb 0.45 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.17 2wr1 h SER 383 CO -0.34 -0.25 0.53 0.58 -1.14 0.00 0.00 176.83 176.21 2wr1 h VAL 384 N -0.30 1.24 0.02 2.27 2.07 -0.84 -2.96 116.25 117.75 2wr1 h VAL 384 Ca 0.05 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 2wr1 h VAL 384 Cb 0.37 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2wr1 h VAL 384 CO -0.16 0.25 -0.38 0.40 0.02 0.00 0.00 177.57 177.69 2wr1 h ILE 385 N 1.19 1.58 -0.20 4.57 2.04 -0.84 -3.40 117.51 122.45 2wr1 h ILE 385 Ca 0.31 -2.35 -0.14 0.00 1.00 0.00 0.00 64.86 63.69 2wr1 h ILE 385 Cb -0.06 3.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2wr1 h ILE 385 CO -0.06 0.58 -0.46 -0.33 0.00 0.00 0.00 178.15 177.88 2wr1 h GLU 386 N -0.89 0.50 0.00 2.37 5.08 0.02 -3.01 114.58 118.65 2wr1 h GLU 386 Ca -0.09 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2wr1 h GLU 386 Cb 1.17 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2wr1 h GLU 386 CO -0.01 0.86 0.00 1.63 -1.00 0.00 0.00 179.01 180.48 2wr1 n LYS 387 N -4.00 0.10 -2.52 2.33 4.76 -1.12 -4.64 118.16 113.07 2wr1 n LYS 387 Ca -0.02 0.56 -0.43 0.00 -2.87 0.00 0.00 58.31 55.54 2wr1 n LYS 387 Cb 0.54 -1.80 -0.02 0.00 -1.84 0.00 0.00 35.03 31.92 2wr1 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr1 s MET 388 N -3.34 3.82 0.31 1.97 1.75 -1.14 -5.01 119.30 117.67 2wr1 s MET 388 Ca -0.00 0.91 -0.29 0.00 -1.25 0.00 0.00 55.69 55.06 2wr1 s MET 388 Cb 0.05 -3.88 -0.10 0.00 2.84 0.00 0.00 34.83 33.74 2wr1 s MET 388 CO 0.17 -1.24 1.27 1.21 -0.65 0.00 0.00 175.02 175.78 2wr1 s ASN 389 N 2.61 6.87 -0.42 1.11 3.84 -1.26 -5.01 114.94 122.67 2wr1 s ASN 389 Ca 0.52 2.60 0.06 0.00 0.21 0.00 0.00 52.86 56.24 2wr1 s ASN 389 Cb -0.12 -2.64 0.20 0.00 -0.55 0.00 0.00 41.25 38.14 2wr1 s ASN 389 CO 0.26 -0.47 0.47 1.07 -2.79 0.00 0.00 177.10 175.64 2wr1 n THR 390 N 0.99 -0.87 -2.75 -5.21 5.66 -1.26 -4.96 114.28 105.87 2wr1 n THR 390 Ca 0.00 -3.21 -0.23 0.00 -3.05 0.00 0.00 64.05 57.56 2wr1 n THR 390 Cb 0.42 -1.27 0.02 0.00 -1.55 0.00 0.00 70.33 67.96 2wr1 n THR 390 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wr1 s GLN 391 N -0.17 2.84 0.20 1.09 -2.07 -1.26 -4.73 119.66 115.56 2wr1 s GLN 391 Ca 0.33 -0.50 -0.31 0.00 -1.82 0.00 0.00 55.36 53.07 2wr1 s GLN 391 Cb 0.08 -2.48 -0.09 0.00 -1.09 0.00 0.00 33.01 29.43 2wr1 s GLN 391 CO -0.16 -0.52 1.42 0.12 -1.32 0.00 0.00 175.29 174.83 2wr1 s PHE 392 N -2.72 3.13 -0.00 9.60 5.36 -1.26 -4.56 117.98 127.53 2wr1 s PHE 392 Ca 0.52 0.99 -0.16 0.00 -0.96 0.00 0.00 56.93 57.33 2wr1 s PHE 392 Cb -0.10 -3.76 0.03 0.00 -0.34 0.00 0.00 43.02 38.85 2wr1 s PHE 392 CO 0.39 -2.54 0.34 -1.21 -1.46 0.00 0.00 175.22 170.74 2wr1 s GLU 393 N 0.22 0.73 -0.15 10.12 2.02 -0.36 -4.99 118.70 126.29 2wr1 s GLU 393 Ca 0.61 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 55.39 2wr1 s GLU 393 Cb -0.40 0.32 0.02 0.00 0.10 0.00 0.00 34.13 34.17 2wr1 s GLU 393 CO 0.37 -0.21 -0.18 0.00 0.02 0.00 0.00 175.26 175.26 2wr1 s ALA 394 N -1.58 2.10 -0.12 5.21 0.00 -1.26 -1.70 121.76 124.42 2wr1 s ALA 394 Ca -0.12 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 50.65 2wr1 s ALA 394 Cb -0.04 -1.07 -0.26 0.00 0.00 0.00 0.00 23.12 21.75 2wr1 s ALA 394 CO 0.03 -0.27 0.47 0.28 0.00 0.00 0.00 175.76 176.28 2wr1 h VAL 395 N 5.95 0.91 -3.63 0.00 2.07 -1.70 -3.46 116.25 116.40 2wr1 h VAL 395 Ca -0.39 -2.36 -0.52 0.00 0.82 0.00 0.00 66.70 64.24 2wr1 h VAL 395 Cb 1.15 2.60 0.04 0.00 -1.52 0.00 0.00 31.29 33.57 2wr1 h VAL 395 CO 0.57 0.71 0.63 -0.83 0.02 0.00 0.00 177.57 178.67 2wr1 s GLY 396 N -5.10 2.74 0.16 2.17 0.00 -1.26 -5.01 107.32 101.01 2wr1 s GLY 396 Ca -0.21 1.15 0.03 0.00 0.00 0.00 0.00 44.72 45.69 2wr1 s GLY 396 CO 0.75 1.94 -0.06 0.54 0.00 0.00 0.00 173.10 176.27 2wr1 s LYS 397 N -0.94 1.08 -0.17 2.90 -0.14 -1.26 -4.51 119.74 116.70 2wr1 s LYS 397 Ca 0.52 -1.49 -0.02 0.00 -1.36 0.00 0.00 55.97 53.62 2wr1 s LYS 397 Cb -0.37 -0.50 -0.01 0.00 -1.68 0.00 0.00 37.83 35.27 2wr1 s LYS 397 CO 0.44 -0.00 -0.09 -1.21 -0.76 0.00 0.00 175.35 173.73 2wr1 s GLU 398 N -3.81 3.38 0.02 1.68 0.41 -1.26 -5.09 118.70 114.03 2wr1 s GLU 398 Ca 0.19 -0.65 0.02 0.00 -0.41 0.00 0.00 54.97 54.12 2wr1 s GLU 398 Cb 0.04 -2.81 -0.01 0.00 -1.78 0.00 0.00 34.13 29.57 2wr1 s GLU 398 CO 0.02 0.01 -0.07 -0.06 -0.49 0.00 0.00 175.26 174.67 2wr1 s PHE 399 N 0.89 0.64 0.78 1.61 0.08 -1.26 -4.92 117.98 115.80 2wr1 s PHE 399 Ca -0.02 -0.27 -0.07 0.00 0.12 0.00 0.00 56.93 56.68 2wr1 s PHE 399 Cb -0.15 -0.40 0.12 0.00 -0.57 0.00 0.00 43.02 42.03 2wr1 s PHE 399 CO 0.00 -0.03 1.09 -1.54 -0.10 0.00 0.00 175.22 174.64 2wr1 s SER 400 N -0.77 4.16 0.00 1.36 1.04 -1.26 -4.94 113.70 113.29 2wr1 s SER 400 Ca -0.02 0.10 0.24 0.00 0.48 0.00 0.00 55.95 56.74 2wr1 s SER 400 Cb -0.06 -0.49 1.20 0.00 0.10 0.00 0.00 66.02 66.78 2wr1 s SER 400 CO 0.00 -2.01 1.78 -0.46 0.98 0.00 0.00 173.24 173.52 2wr1 n ASN 401 N -3.13 0.00 -1.18 7.02 6.94 -1.26 -1.41 115.26 122.25 2wr1 n ASN 401 Ca 0.13 -0.10 0.06 0.00 -0.02 0.00 0.00 54.58 54.65 2wr1 n ASN 401 Cb 0.60 -0.26 0.29 0.00 -2.36 0.00 0.00 39.78 38.04 2wr1 n ASN 401 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wr1 n LEU 402 N -1.26 4.41 -1.66 -4.53 4.77 -1.26 -4.41 117.00 113.06 2wr1 n LEU 402 Ca 0.12 -3.08 -0.09 0.00 -0.03 0.00 0.00 56.01 52.93 2wr1 n LEU 402 Cb 0.18 -0.59 0.08 0.00 -2.33 0.00 0.00 43.42 40.76 2wr1 n LEU 402 CO 0.18 0.72 0.20 -0.62 -1.33 0.00 0.00 177.39 176.53 2wr1 n GLU 403 N -0.33 2.42 -0.30 3.23 1.02 -0.50 -4.82 120.64 121.36 2wr1 n GLU 403 Ca 0.25 -3.62 0.03 0.00 -0.02 0.00 0.00 57.16 53.80 2wr1 n GLU 403 Cb 1.00 -1.78 0.23 0.00 -0.02 0.00 0.00 31.44 30.87 2wr1 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr1 h ARG 404 N 1.78 1.02 -0.38 3.49 -0.00 -1.77 -0.63 114.38 117.89 2wr1 h ARG 404 Ca 0.13 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.98 59.43 2wr1 h ARG 404 Cb 1.37 -0.23 -0.01 0.00 0.00 0.00 0.00 29.97 31.10 2wr1 h ARG 404 CO 0.39 0.68 -0.24 0.00 0.00 0.00 0.00 179.97 180.80 2wr1 h ARG 405 N 1.05 0.77 -0.22 0.04 3.08 -1.95 -0.94 114.38 116.21 2wr1 h ARG 405 Ca 0.37 -0.32 -0.19 0.00 0.07 0.00 0.00 59.98 59.91 2wr1 h ARG 405 Cb 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2wr1 h ARG 405 CO -0.13 0.93 -0.62 1.25 -1.07 0.00 0.00 179.97 180.34 2wr1 h LEU 406 N 0.67 0.93 -1.06 3.04 5.85 -1.84 -1.01 115.31 121.88 2wr1 h LEU 406 Ca 0.09 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 2wr1 h LEU 406 Cb 0.75 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2wr1 h LEU 406 CO 0.06 1.34 0.44 -0.08 -0.34 0.00 0.00 178.44 179.86 2wr1 h GLU 407 N 0.56 1.09 -0.47 1.25 4.81 -0.95 -1.37 114.58 119.50 2wr1 h GLU 407 Ca -0.01 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 58.97 2wr1 h GLU 407 Cb 1.23 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2wr1 h GLU 407 CO 0.13 0.79 -0.22 -0.97 -0.73 0.00 0.00 179.01 178.01 2wr1 h ASN 408 N 1.10 1.00 0.18 1.04 -1.24 -0.99 -1.29 115.58 115.38 2wr1 h ASN 408 Ca 0.28 -0.38 0.01 0.00 0.71 0.00 0.00 56.30 56.92 2wr1 h ASN 408 Cb 0.01 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.75 2wr1 h ASN 408 CO -0.05 1.17 -0.30 0.25 -1.29 0.00 0.00 177.43 177.22 2wr1 h LEU 409 N 0.84 -0.83 -1.07 0.34 5.85 -0.85 0.24 115.31 119.83 2wr1 h LEU 409 Ca 0.11 0.09 0.17 0.00 0.84 0.00 0.00 57.88 59.09 2wr1 h LEU 409 Cb 0.80 0.31 -0.10 0.00 0.37 0.00 0.00 40.66 42.04 2wr1 h LEU 409 CO 0.07 -0.40 0.62 -1.13 -0.34 0.00 0.00 178.44 177.25 2wr1 h ASN 410 N -0.56 0.78 -0.33 1.25 -1.24 -1.16 -1.00 115.58 113.32 2wr1 h ASN 410 Ca 0.01 0.08 -0.07 0.00 0.71 0.00 0.00 56.30 57.03 2wr1 h ASN 410 Cb 0.56 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 2wr1 h ASN 410 CO -0.13 0.32 -0.07 0.50 -1.29 0.00 0.00 177.43 176.76 2wr1 h LYS 411 N 0.78 0.64 -0.38 6.67 3.64 -0.51 -1.54 116.57 125.87 2wr1 h LYS 411 Ca 0.54 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2wr1 h LYS 411 Cb 0.82 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 2wr1 h LYS 411 CO -0.33 0.80 0.19 -0.22 -2.27 0.00 0.00 179.45 177.63 2wr1 h LYS 412 N 0.42 0.52 -0.09 1.90 1.63 0.07 0.12 116.57 121.13 2wr1 h LYS 412 Ca 0.09 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 2wr1 h LYS 412 Cb 0.56 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.08 2wr1 h LYS 412 CO 0.03 0.40 -0.14 1.98 -3.45 0.00 0.00 179.45 178.27 2wr1 h MET 413 N 0.53 0.26 -0.69 1.90 4.05 -0.90 0.20 114.93 120.28 2wr1 h MET 413 Ca 0.14 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 2wr1 h MET 413 Cb 0.04 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 2wr1 h MET 413 CO -0.02 0.72 0.38 0.93 0.23 0.00 0.00 176.91 179.15 2wr1 h GLU 414 N -0.18 0.97 -0.74 0.39 4.39 -1.01 -0.40 114.58 118.00 2wr1 h GLU 414 Ca 0.01 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2wr1 h GLU 414 Cb 0.70 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 2wr1 h GLU 414 CO 0.03 0.73 0.39 -0.44 -1.16 0.00 0.00 179.01 178.56 2wr1 h ASP 415 N 0.95 0.93 -0.01 1.42 3.32 -0.72 -0.70 116.42 121.61 2wr1 h ASP 415 Ca 0.24 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2wr1 h ASP 415 Cb 0.05 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2wr1 h ASP 415 CO -0.04 0.77 0.00 1.23 -1.72 0.00 0.00 179.24 179.48 2wr1 h GLY 416 N 1.02 0.01 1.61 2.75 0.00 0.31 -1.13 103.07 107.64 2wr1 h GLY 416 Ca 0.26 -0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 2wr1 h GLY 416 CO -0.04 0.00 -0.19 0.74 0.00 0.00 0.00 176.54 177.06 2wr1 h PHE 417 N -0.06 0.51 -0.64 5.60 0.04 -0.99 -2.07 116.94 119.32 2wr1 h PHE 417 Ca 0.00 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 2wr1 h PHE 417 Cb 0.07 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 2wr1 h PHE 417 CO -0.05 0.63 0.27 1.25 -0.60 0.00 0.00 178.31 179.80 2wr1 h LEU 418 N 0.42 0.87 -0.38 1.54 5.85 -0.75 -1.39 115.31 121.47 2wr1 h LEU 418 Ca 0.07 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2wr1 h LEU 418 Cb 0.57 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2wr1 h LEU 418 CO 0.04 0.80 0.23 0.44 -0.34 0.00 0.00 178.44 179.61 2wr1 h ASP 419 N 0.89 0.46 0.16 1.25 3.32 -0.78 -1.52 116.42 120.20 2wr1 h ASP 419 Ca 0.21 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.22 2wr1 h ASP 419 Cb 0.19 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2wr1 h ASP 419 CO -0.02 0.37 -0.18 0.58 -1.72 0.00 0.00 179.24 178.28 2wr1 h VAL 420 N 0.51 0.61 -0.50 -1.35 2.07 -1.15 -1.92 116.25 114.52 2wr1 h VAL 420 Ca 0.14 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.55 2wr1 h VAL 420 Cb -0.01 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2wr1 h VAL 420 CO -0.03 0.00 -0.10 -0.50 0.02 0.00 0.00 177.57 176.96 2wr1 h TRP 421 N -0.37 1.06 -0.12 1.57 4.06 -1.24 -0.62 115.95 120.29 2wr1 h TRP 421 Ca 0.01 -0.22 -0.01 0.00 2.06 0.00 0.00 58.89 60.72 2wr1 h TRP 421 Cb 0.36 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 28.26 2wr1 h TRP 421 CO -0.15 1.01 0.02 1.15 -3.56 0.00 0.00 178.44 176.91 2wr1 h THR 422 N 0.80 1.22 -0.38 1.49 2.02 -1.27 -0.57 112.91 116.22 2wr1 h THR 422 Ca 0.13 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 2wr1 h THR 422 Cb 0.66 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 2wr1 h THR 422 CO 0.05 0.20 0.17 0.22 0.37 0.00 0.00 175.52 176.53 2wr1 h TYR 423 N -0.03 0.56 -0.46 3.16 3.20 -1.30 -1.58 116.97 120.52 2wr1 h TYR 423 Ca 0.04 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 2wr1 h TYR 423 Cb 0.29 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2wr1 h TYR 423 CO 0.02 0.48 -0.13 -0.91 -1.64 0.00 0.00 178.16 175.98 2wr1 h ASN 424 N 0.47 0.85 -0.19 -2.11 4.21 -1.02 -1.23 115.58 116.56 2wr1 h ASN 424 Ca 0.13 -0.27 -0.02 0.00 1.21 0.00 0.00 56.30 57.35 2wr1 h ASN 424 Cb 0.14 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 2wr1 h ASN 424 CO -0.01 0.99 0.05 0.00 -1.29 0.00 0.00 177.43 177.16 2wr1 h ALA 425 N 1.09 0.25 -0.17 -0.83 0.00 -1.03 -0.59 119.26 117.98 2wr1 h ALA 425 Ca 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wr1 h ALA 425 Cb 0.64 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2wr1 h ALA 425 CO 0.04 -0.11 0.10 0.93 0.00 0.00 0.00 179.25 180.22 2wr1 h GLU 426 N 0.12 0.23 -0.35 0.00 4.39 -1.21 -2.70 114.58 115.06 2wr1 h GLU 426 Ca 0.06 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 2wr1 h GLU 426 Cb 0.26 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2wr1 h GLU 426 CO 0.00 0.20 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.92 2wr1 h LEU 427 N 0.19 0.55 -0.25 1.33 4.07 -1.19 -2.52 115.31 117.49 2wr1 h LEU 427 Ca 0.06 -0.13 -0.05 0.00 0.08 0.00 0.00 57.88 57.84 2wr1 h LEU 427 Cb 0.03 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 2wr1 h LEU 427 CO -0.01 0.66 -0.03 0.25 -1.08 0.00 0.00 178.44 178.23 2wr1 h LEU 428 N 0.54 0.47 -0.04 1.67 5.85 -1.00 -0.10 115.31 122.70 2wr1 h LEU 428 Ca 0.11 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 2wr1 h LEU 428 Cb 0.43 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 2wr1 h LEU 428 CO 0.02 0.70 0.02 0.58 -0.34 0.00 0.00 178.44 179.42 2wr1 h VAL 429 N 0.23 1.08 -0.38 1.05 2.07 -1.47 0.83 116.25 119.66 2wr1 h VAL 429 Ca 0.07 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2wr1 h VAL 429 Cb 0.48 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2wr1 h VAL 429 CO 0.02 0.06 0.16 -0.07 0.02 0.00 0.00 177.57 177.76 2wr1 h LEU 430 N -0.03 0.20 -0.20 2.57 3.38 -1.30 -0.78 115.31 119.15 2wr1 h LEU 430 Ca 0.01 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2wr1 h LEU 430 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2wr1 h LEU 430 CO -0.00 0.15 -0.06 0.24 0.09 0.00 0.00 178.44 178.86 2wr1 h MET 431 N 0.33 0.38 -0.06 1.13 2.86 -0.87 -2.12 114.93 116.58 2wr1 h MET 431 Ca 0.17 -0.15 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 2wr1 h MET 431 Cb 0.12 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2wr1 h MET 431 CO -0.15 0.65 -0.49 0.93 1.06 0.00 0.00 176.91 178.90 2wr1 h GLU 432 N 0.10 0.15 -0.50 1.72 4.39 -0.74 -2.36 114.58 117.34 2wr1 h GLU 432 Ca 0.05 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 2wr1 h GLU 432 Cb 0.51 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2wr1 h GLU 432 CO 0.02 0.61 0.09 -0.91 -1.16 0.00 0.00 179.01 177.67 2wr1 h ASN 433 N 0.12 0.79 -0.04 1.42 2.35 -1.08 0.19 115.58 119.33 2wr1 h ASN 433 Ca 0.00 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 55.52 2wr1 h ASN 433 Cb 0.91 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 2wr1 h ASN 433 CO 0.07 0.84 -0.10 -0.08 -1.65 0.00 0.00 177.43 176.51 2wr1 h GLU 434 N 0.70 -0.14 -0.60 0.81 4.57 -1.19 -2.18 114.58 116.56 2wr1 h GLU 434 Ca 0.15 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 2wr1 h GLU 434 Cb 0.38 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 2wr1 h GLU 434 CO 0.01 -0.10 0.27 0.00 -1.18 0.00 0.00 179.01 178.02 2wr1 h ARG 435 N -0.15 0.85 -0.71 1.92 3.08 -1.18 -2.46 114.38 115.73 2wr1 h ARG 435 Ca 0.05 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2wr1 h ARG 435 Cb 0.22 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2wr1 h ARG 435 CO -0.13 0.67 0.28 1.15 -1.07 0.00 0.00 179.97 180.87 2wr1 h THR 436 N 0.85 1.25 -0.45 2.04 2.02 -0.22 0.38 112.91 118.78 2wr1 h THR 436 Ca 0.21 -0.79 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 2wr1 h THR 436 Cb 0.11 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2wr1 h THR 436 CO -0.03 0.32 0.12 -0.07 0.37 0.00 0.00 175.52 176.23 2wr1 h LEU 437 N 1.02 0.67 -0.62 2.58 4.07 -1.17 -1.78 115.31 120.09 2wr1 h LEU 437 Ca 0.24 -0.22 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 2wr1 h LEU 437 Cb 0.22 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 2wr1 h LEU 437 CO -0.02 0.72 0.15 0.44 -1.08 0.00 0.00 178.44 178.65 2wr1 h ASP 438 N 0.59 0.94 0.09 -0.43 3.32 -1.35 -0.55 116.42 119.05 2wr1 h ASP 438 Ca 0.14 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.98 2wr1 h ASP 438 Cb 0.30 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 2wr1 h ASP 438 CO -0.00 0.93 -0.34 0.15 -1.72 0.00 0.00 179.24 178.26 2wr1 h PHE 439 N 0.91 -0.94 -0.26 4.55 3.57 -0.63 0.26 116.94 124.39 2wr1 h PHE 439 Ca 0.19 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.78 2wr1 h PHE 439 Cb 0.36 0.40 -0.07 0.00 2.79 0.00 0.00 35.95 39.43 2wr1 h PHE 439 CO 0.03 -0.44 -0.19 0.45 -2.23 0.00 0.00 178.31 175.92 2wr1 h HIS 440 N -0.55 -0.49 -0.38 0.41 3.86 -1.23 -1.35 115.15 115.42 2wr1 h HIS 440 Ca 0.04 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.36 2wr1 h HIS 440 Cb 0.60 0.26 -0.07 0.00 1.06 0.00 0.00 27.41 29.25 2wr1 h HIS 440 CO -0.32 -0.27 -0.10 0.22 0.86 0.00 0.00 177.93 178.32 2wr1 h ASP 441 N -0.18 -0.37 -1.00 2.45 3.58 -0.70 -1.00 116.42 119.19 2wr1 h ASP 441 Ca 0.14 0.12 0.09 0.00 0.42 0.00 0.00 57.03 57.80 2wr1 h ASP 441 Cb 0.40 0.24 -0.07 0.00 1.72 0.00 0.00 39.33 41.62 2wr1 h ASP 441 CO -0.37 -0.13 0.64 -1.28 -2.88 0.00 0.00 179.24 175.22 2wr1 h SER 442 N -0.01 1.00 -0.55 2.28 0.87 -0.34 -1.45 113.55 115.34 2wr1 h SER 442 Ca 0.18 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2wr1 h SER 442 Cb 0.29 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2wr1 h SER 442 CO -0.39 0.60 0.11 0.78 -0.53 0.00 0.00 176.83 177.39 2wr1 h ASN 443 N 1.11 0.86 -0.38 6.23 2.35 -0.03 -0.44 115.58 125.28 2wr1 h ASN 443 Ca 0.46 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.92 2wr1 h ASN 443 Cb 0.29 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2wr1 h ASN 443 CO -0.21 0.89 0.09 0.58 -1.65 0.00 0.00 177.43 177.13 2wr1 h VAL 444 N 0.80 1.23 -0.54 2.81 2.07 -1.08 -2.11 116.25 119.42 2wr1 h VAL 444 Ca 0.17 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 67.00 2wr1 h VAL 444 Cb 0.38 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 2wr1 h VAL 444 CO 0.01 0.27 0.19 0.50 0.02 0.00 0.00 177.57 178.56 2wr1 h LYS 445 N 0.47 0.36 -0.34 1.57 1.63 -1.13 -0.50 116.57 118.63 2wr1 h LYS 445 Ca 0.12 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.82 2wr1 h LYS 445 Cb 0.30 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 2wr1 h LYS 445 CO 0.00 0.24 -0.10 -0.91 -3.45 0.00 0.00 179.45 175.23 2wr1 h ASN 446 N 0.37 0.56 -0.25 4.20 2.35 -0.98 -0.75 115.58 121.08 2wr1 h ASN 446 Ca 0.26 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.75 2wr1 h ASN 446 Cb 0.30 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 2wr1 h ASN 446 CO -0.27 0.70 -0.32 0.25 -1.65 0.00 0.00 177.43 176.14 2wr1 h LEU 447 N 0.54 0.72 -0.31 1.61 5.85 -0.88 -1.29 115.31 121.55 2wr1 h LEU 447 Ca 0.10 -0.50 0.06 0.00 0.84 0.00 0.00 57.88 58.38 2wr1 h LEU 447 Cb 0.49 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 2wr1 h LEU 447 CO 0.03 1.08 -0.04 0.22 -0.34 0.00 0.00 178.44 179.39 2wr1 h TYR 448 N 0.38 -0.09 0.00 1.25 3.20 -0.82 -2.38 116.97 118.51 2wr1 h TYR 448 Ca 0.03 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 2wr1 h TYR 448 Cb 0.90 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2wr1 h TYR 448 CO 0.08 -0.10 -0.41 -0.44 -1.64 0.00 0.00 178.16 175.65 2wr1 h ASP 449 N 0.04 0.00 -0.84 -2.11 3.32 -0.95 -1.27 116.42 114.61 2wr1 h ASP 449 Ca 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2wr1 h ASP 449 Cb 0.22 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 2wr1 h ASP 449 CO -0.28 0.41 0.46 0.50 -1.72 0.00 0.00 179.24 178.60 2wr1 h LYS 450 N 0.00 1.18 0.05 3.56 3.64 -0.73 0.56 116.57 124.83 2wr1 h LYS 450 Ca -0.00 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2wr1 h LYS 450 Cb 0.83 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2wr1 h LYS 450 CO 0.05 0.87 -0.02 0.28 -2.27 0.00 0.00 179.45 178.36 2wr1 h VAL 451 N 1.18 1.30 -0.71 2.00 2.07 -1.08 -2.80 116.25 118.21 2wr1 h VAL 451 Ca 0.30 -1.29 0.16 0.00 0.82 0.00 0.00 66.70 66.68 2wr1 h VAL 451 Cb 0.04 2.13 -0.12 0.00 -1.52 0.00 0.00 31.29 31.81 2wr1 h VAL 451 CO -0.05 0.32 -0.03 -0.09 0.02 0.00 0.00 177.57 177.74 2wr1 h ARG 452 N -0.66 0.09 0.00 1.57 2.43 -1.08 -0.50 114.38 116.23 2wr1 h ARG 452 Ca -0.01 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2wr1 h ARG 452 Cb 0.57 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2wr1 h ARG 452 CO 0.01 0.06 -0.08 0.52 -1.51 0.00 0.00 179.97 178.96 2wr1 h MET 453 N 0.09 0.00 0.01 0.20 2.86 -0.93 -2.23 114.93 114.93 2wr1 h MET 453 Ca 0.38 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.91 2wr1 h MET 453 Cb 0.64 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.31 2wr1 h MET 453 CO -0.64 0.08 -0.42 1.96 1.06 0.00 0.00 176.91 178.95 2wr1 h GLN 454 N 0.00 0.27 -0.23 1.72 4.20 -0.86 -3.38 115.11 116.83 2wr1 h GLN 454 Ca -0.00 -0.30 -0.17 0.00 0.06 0.00 0.00 58.65 58.24 2wr1 h GLN 454 Cb 0.79 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.66 2wr1 h GLN 454 CO 0.01 1.02 -0.51 -0.07 -0.67 0.00 0.00 178.83 178.62 2wr1 h LEU 455 N -0.35 0.84 0.00 1.46 4.07 -1.05 -3.44 115.31 116.84 2wr1 h LEU 455 Ca -0.06 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 57.35 2wr1 h LEU 455 Cb 1.18 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.68 2wr1 h LEU 455 CO 0.08 1.24 0.00 0.54 -1.08 0.00 0.00 178.44 179.22 2wr1 n ARG 456 N -4.11 0.00 -0.01 1.13 1.74 -0.85 -1.93 116.66 112.62 2wr1 n ARG 456 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2wr1 n ARG 456 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 2wr1 n ARG 456 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wr1 n ASP 457 N 1.97 0.49 -0.48 0.55 3.85 -1.26 -3.46 116.55 118.22 2wr1 n ASP 457 Ca 0.00 -2.01 0.09 0.00 -0.71 0.00 0.00 54.79 52.17 2wr1 n ASP 457 Cb 0.00 -0.22 0.35 0.00 -1.35 0.00 0.00 41.12 39.89 2wr1 n ASP 457 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2wr1 n ASN 458 N -0.26 1.42 -3.66 -1.12 3.02 -0.81 -4.89 115.26 108.95 2wr1 n ASN 458 Ca 0.00 -1.73 -0.12 0.00 -0.03 0.00 0.00 54.58 52.70 2wr1 n ASN 458 Cb 0.12 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.12 2wr1 n ASN 458 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wr1 s VAL 459 N -1.78 0.06 -0.20 2.41 0.11 -1.22 -0.20 120.40 119.58 2wr1 s VAL 459 Ca 0.29 -0.51 -0.09 0.00 -2.93 0.00 0.00 61.98 58.74 2wr1 s VAL 459 Cb 0.15 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 2wr1 s VAL 459 CO 0.23 -0.28 0.10 -0.75 -3.33 0.00 0.00 175.10 171.06 2wr1 s LYS 460 N -2.86 4.03 -0.66 1.54 2.20 0.15 -4.90 119.74 119.25 2wr1 s LYS 460 Ca -0.03 -0.31 -0.23 0.00 -0.36 0.00 0.00 55.97 55.05 2wr1 s LYS 460 Cb 0.00 -3.33 0.07 0.00 -1.51 0.00 0.00 37.83 33.06 2wr1 s LYS 460 CO -0.05 0.22 0.98 -2.00 -0.36 0.00 0.00 175.35 174.14 2wr1 s GLU 461 N 0.55 3.12 0.30 4.03 2.12 -1.26 -1.45 118.70 126.12 2wr1 s GLU 461 Ca 0.05 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.61 2wr1 s GLU 461 Cb -0.12 -4.22 0.48 0.00 0.26 0.00 0.00 34.13 30.53 2wr1 s GLU 461 CO 0.01 -1.82 1.82 -0.07 -0.54 0.00 0.00 175.26 174.66 2wr1 h LEU 462 N 11.42 0.61 0.00 2.70 -0.00 -1.82 -3.47 115.31 124.75 2wr1 h LEU 462 Ca -0.29 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 2wr1 h LEU 462 Cb 1.07 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.57 2wr1 h LEU 462 CO 1.18 0.68 0.00 0.61 -0.00 0.00 0.00 178.44 180.91 2wr1 n GLY 463 N -0.77 1.05 0.07 0.83 0.00 -1.26 -4.97 105.19 100.14 2wr1 n GLY 463 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 2wr1 n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr1 n ASN 464 N 0.00 0.86 0.00 1.61 6.94 -1.26 -4.82 115.26 118.59 2wr1 n ASN 464 Ca 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 54.58 52.91 2wr1 n ASN 464 Cb 0.00 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 2wr1 n ASN 464 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr1 n GLY 465 N -0.30 0.60 3.75 4.83 0.00 -1.26 -4.52 105.19 108.30 2wr1 n GLY 465 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2wr1 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr1 s PHE 467 N -1.36 2.44 -0.34 0.00 0.08 0.65 -2.12 117.98 117.33 2wr1 s PHE 467 Ca 0.28 -1.10 -0.09 0.00 0.12 0.00 0.00 56.93 56.14 2wr1 s PHE 467 Cb -0.12 -1.66 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 2wr1 s PHE 467 CO 0.21 -0.49 0.15 -2.00 -0.10 0.00 0.00 175.22 172.99 2wr1 s GLU 468 N 0.62 2.94 0.74 0.44 2.12 -0.53 -1.63 118.70 123.40 2wr1 s GLU 468 Ca -0.13 -0.98 -0.14 0.00 0.36 0.00 0.00 54.97 54.08 2wr1 s GLU 468 Cb -0.17 -3.57 0.04 0.00 0.26 0.00 0.00 34.13 30.70 2wr1 s GLU 468 CO 0.03 -0.58 1.15 -0.06 -0.54 0.00 0.00 175.26 175.26 2wr1 s PHE 469 N 1.52 2.24 -2.20 5.30 0.08 -1.26 -0.67 117.98 123.00 2wr1 s PHE 469 Ca 0.02 1.61 0.22 0.00 0.12 0.00 0.00 56.93 58.89 2wr1 s PHE 469 Cb -0.18 -3.30 0.55 0.00 -0.57 0.00 0.00 43.02 39.51 2wr1 s PHE 469 CO 0.05 -2.23 1.47 0.66 -0.10 0.00 0.00 175.22 175.07 2wr1 n TYR 470 N -2.92 0.72 -4.12 0.36 4.01 0.72 -4.81 117.16 111.12 2wr1 n TYR 470 Ca 0.12 -0.36 -0.11 0.00 -0.16 0.00 0.00 57.90 57.39 2wr1 n TYR 470 Cb 0.51 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.46 2wr1 n TYR 470 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2wr1 s HIS 471 N -1.28 0.86 0.09 -0.72 -3.43 -1.26 -4.22 115.29 105.33 2wr1 s HIS 471 Ca 0.42 -1.13 -0.31 0.00 -0.80 0.00 0.00 55.06 53.25 2wr1 s HIS 471 Cb 0.23 -0.26 -0.07 0.00 -1.43 0.00 0.00 32.58 31.05 2wr1 s HIS 471 CO 0.31 -0.79 1.25 0.15 -2.00 0.00 0.00 174.74 173.66 2wr1 s LYS 472 N -4.07 4.41 -0.32 -0.38 -0.14 -1.26 -5.00 119.74 112.98 2wr1 s LYS 472 Ca 0.32 1.87 -0.00 0.00 -1.36 0.00 0.00 55.97 56.80 2wr1 s LYS 472 Cb 0.04 -3.30 0.10 0.00 -1.68 0.00 0.00 37.83 32.98 2wr1 s LYS 472 CO 0.11 -0.29 0.09 0.00 -0.76 0.00 0.00 175.35 174.51 2wr1 n ASP 474 N 4.76 0.18 0.03 0.00 5.75 -1.26 -4.68 116.55 121.32 2wr1 n ASP 474 Ca -0.01 -1.17 0.01 0.00 -0.01 0.00 0.00 54.79 53.61 2wr1 n ASP 474 Cb 0.42 -0.13 0.33 0.00 -1.03 0.00 0.00 41.12 40.71 2wr1 n ASP 474 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2wr1 h ASP 475 N -0.15 0.43 -0.27 -1.12 3.32 -1.99 -0.09 116.42 116.55 2wr1 h ASP 475 Ca -0.06 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 2wr1 h ASP 475 Cb 0.21 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2wr1 h ASP 475 CO 0.06 0.51 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.93 2wr1 h GLU 476 N 0.44 0.53 -0.20 3.56 4.57 -1.99 -1.05 114.58 120.44 2wr1 h GLU 476 Ca 0.10 -0.21 0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2wr1 h GLU 476 Cb 0.32 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 2wr1 h GLU 476 CO 0.01 0.75 0.03 0.00 -1.18 0.00 0.00 179.01 178.62 2wr1 h MET 478 N 0.11 -0.05 -0.97 0.00 2.86 -0.96 -1.56 114.93 114.36 2wr1 h MET 478 Ca 0.09 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.85 2wr1 h MET 478 Cb 0.09 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.69 2wr1 h MET 478 CO -0.13 -0.03 0.61 -0.97 1.06 0.00 0.00 176.91 177.45 2wr1 h ASN 479 N -0.05 0.86 0.14 1.22 -0.00 -0.99 0.11 115.58 116.87 2wr1 h ASN 479 Ca 0.06 0.04 -0.07 0.00 -0.00 0.00 0.00 56.30 56.32 2wr1 h ASN 479 Cb 0.13 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 2wr1 h ASN 479 CO -0.13 0.46 -0.27 0.77 -0.00 0.00 0.00 177.43 178.27 2wr1 h SER 480 N 0.93 0.21 -0.37 1.15 4.64 -0.48 -1.96 113.55 117.66 2wr1 h SER 480 Ca 0.47 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.65 2wr1 h SER 480 Cb 0.51 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2wr1 h SER 480 CO -0.24 0.48 -0.09 0.58 -0.87 0.00 0.00 176.83 176.69 2wr1 h VAL 481 N 0.19 1.28 -0.01 0.95 2.07 0.07 -0.69 116.25 120.11 2wr1 h VAL 481 Ca 0.03 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 2wr1 h VAL 481 Cb 0.58 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2wr1 h VAL 481 CO 0.04 0.39 -0.35 0.11 0.02 0.00 0.00 177.57 177.77 2wr1 h LYS 482 N 0.52 0.02 -0.56 1.57 1.57 -0.96 -3.15 116.57 115.59 2wr1 h LYS 482 Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2wr1 h LYS 482 Cb 0.60 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2wr1 h LYS 482 CO 0.04 0.37 0.00 0.27 -0.57 0.00 0.00 179.45 179.56 2wr1 n ASN 483 N -4.11 3.75 0.00 0.86 0.23 -0.76 -4.98 115.26 110.25 2wr1 n ASN 483 Ca -0.02 -2.14 0.00 0.00 -0.53 0.00 0.00 54.58 51.89 2wr1 n ASN 483 Cb 0.40 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 2wr1 n ASN 483 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr1 n GLY 484 N 1.05 0.41 0.21 4.83 0.00 -1.00 -4.94 105.19 105.74 2wr1 n GLY 484 Ca 0.20 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.38 2wr1 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr1 n THR 485 N -3.88 0.89 -1.61 2.61 -2.24 -0.31 -5.06 114.28 104.67 2wr1 n THR 485 Ca 0.00 -1.04 -0.51 0.00 -2.27 0.00 0.00 64.05 60.23 2wr1 n THR 485 Cb 0.46 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 2wr1 n THR 485 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wr1 n TYR 486 N -0.64 1.66 -3.00 4.78 9.36 -0.90 -4.89 117.16 123.53 2wr1 n TYR 486 Ca 0.06 0.57 -0.44 0.00 3.32 0.00 0.00 57.90 61.41 2wr1 n TYR 486 Cb 0.60 -2.37 -0.03 0.00 -0.63 0.00 0.00 39.34 36.90 2wr1 n TYR 486 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2wr1 s ASP 487 N 0.73 6.48 0.06 2.98 -1.08 -1.26 -4.93 116.67 119.65 2wr1 s ASP 487 Ca 0.84 -1.82 -0.33 0.00 -0.52 0.00 0.00 52.55 50.73 2wr1 s ASP 487 Cb -0.92 -2.36 -0.19 0.00 -1.46 0.00 0.00 42.92 38.00 2wr1 s ASP 487 CO 0.46 -1.08 1.56 0.22 0.52 0.00 0.00 175.17 176.85 2wr1 h TYR 488 N 8.90 -0.87 -1.01 -5.34 3.20 -1.90 -3.05 116.97 116.91 2wr1 h TYR 488 Ca -0.02 -0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.06 2wr1 h TYR 488 Cb 1.05 0.29 -0.12 0.00 1.54 0.00 0.00 36.73 39.49 2wr1 h TYR 488 CO 1.05 -0.53 0.61 -1.35 -1.64 0.00 0.00 178.16 176.30 2wr1 h PRO 489 N -0.98 0.61 -0.81 1.82 0.11 -1.97 -1.19 132.00 129.59 2wr1 h PRO 489 Ca -0.10 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 66.08 2wr1 h PRO 489 Cb 0.73 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 31.64 2wr1 h PRO 489 CO 0.16 0.40 0.53 -0.22 -0.21 0.00 0.00 178.00 178.66 2wr1 h LYS 490 N 0.63 0.71 -0.42 1.05 3.64 -1.95 -1.96 116.57 118.27 2wr1 h LYS 490 Ca 0.62 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 2wr1 h LYS 490 Cb 1.13 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2wr1 h LYS 490 CO -0.42 0.47 0.00 0.66 -2.27 0.00 0.00 179.45 177.89 2wr1 n TYR 491 N -4.51 0.55 -1.83 1.91 4.01 -0.53 -4.86 117.16 111.90 2wr1 n TYR 491 Ca 0.14 -0.37 -0.26 0.00 -0.16 0.00 0.00 57.90 57.24 2wr1 n TYR 491 Cb 0.34 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.28 2wr1 n TYR 491 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2wr1 n GLU 492 N 1.08 1.17 0.00 -0.72 2.13 -0.74 -3.60 120.64 119.96 2wr1 n GLU 492 Ca 0.16 -2.19 0.00 0.00 0.66 0.00 0.00 57.16 55.79 2wr1 n GLU 492 Cb 0.51 -3.69 0.00 0.00 0.27 0.00 0.00 31.44 28.53 2wr1 n GLU 492 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2wr1 n GLU 493 N 8.14 0.00 0.00 5.31 -0.00 -1.26 -5.06 120.64 127.77 2wr1 n GLU 493 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.60 2wr1 n GLU 493 Cb 0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 31.44 31.88 2wr1 n GLU 493 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2wr1 n GLU 494 N 0.00 0.00 -0.22 3.44 -0.00 -1.24 -4.59 120.64 118.03 2wr1 n GLU 494 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2wr1 n GLU 494 Cb 0.01 -0.31 0.00 0.00 -0.00 0.00 0.00 31.44 31.15 2wr1 n GLU 494 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2wr1 n SER 495 N 0.52 -0.99 0.00 -1.84 2.88 -1.26 -4.74 113.62 108.19 2wr1 n SER 495 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2wr1 n SER 495 Cb 0.00 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 2wr1 n SER 495 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10