#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr5 s ILE 7 N 0.00 0.11 0.01 1.69 -1.16 -0.13 -0.84 121.20 120.88 2wr5 s ILE 7 Ca 0.00 0.11 0.06 0.00 -0.51 0.00 0.00 60.65 60.31 2wr5 s ILE 7 Cb 0.00 -0.21 -0.02 0.00 0.61 0.00 0.00 42.46 42.84 2wr5 s ILE 7 CO 0.00 0.12 -0.19 0.00 -2.81 0.00 0.00 174.94 172.06 2wr5 s ILE 9 N -0.60 5.47 0.34 0.00 -1.09 0.16 -1.01 121.20 124.48 2wr5 s ILE 9 Ca 0.07 0.24 -0.15 0.00 -2.23 0.00 0.00 60.65 58.59 2wr5 s ILE 9 Cb -0.08 -3.42 0.06 0.00 -1.58 0.00 0.00 42.46 37.43 2wr5 s ILE 9 CO 0.00 0.60 0.76 0.61 -1.23 0.00 0.00 174.94 175.68 2wr5 n GLY 10 N 2.12 1.01 3.30 6.18 0.00 -0.90 -4.57 105.19 112.32 2wr5 n GLY 10 Ca -0.19 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 2wr5 n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wr5 s TYR 11 N -2.63 1.45 0.46 1.61 1.13 -1.26 -2.11 117.35 116.01 2wr5 s TYR 11 Ca 0.15 -0.96 -0.23 0.00 -1.41 0.00 0.00 57.07 54.62 2wr5 s TYR 11 Cb -0.04 -0.84 -0.07 0.00 -1.10 0.00 0.00 41.96 39.91 2wr5 s TYR 11 CO 0.10 -0.10 1.21 -1.58 -2.51 0.00 0.00 175.55 172.66 2wr5 s HIS 12 N -3.51 2.81 0.08 -3.49 5.65 -0.27 -0.23 115.29 116.32 2wr5 s HIS 12 Ca 0.28 1.50 -0.02 0.00 0.25 0.00 0.00 55.06 57.07 2wr5 s HIS 12 Cb 0.06 -3.47 -0.04 0.00 -1.18 0.00 0.00 32.58 27.95 2wr5 s HIS 12 CO 0.08 -1.74 0.02 0.00 -0.65 0.00 0.00 174.74 172.44 2wr5 s ALA 13 N -1.47 0.52 0.00 1.58 0.00 -1.01 -4.55 121.76 116.83 2wr5 s ALA 13 Ca 0.63 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2wr5 s ALA 13 Cb -0.31 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2wr5 s ALA 13 CO 0.38 -0.42 0.00 0.27 0.00 0.00 0.00 175.76 176.00 2wr5 n ASN 14 N 0.04 0.00 -1.83 0.00 0.23 -1.26 -4.27 115.26 108.16 2wr5 n ASN 14 Ca -0.12 -0.11 -0.01 0.00 -0.53 0.00 0.00 54.58 53.80 2wr5 n ASN 14 Cb 0.62 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.64 2wr5 n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2wr5 n ASN 15 N -0.17 4.87 -4.76 0.53 0.23 -1.26 -4.88 115.26 109.81 2wr5 n ASN 15 Ca 0.00 -3.16 -0.35 0.00 -0.53 0.00 0.00 54.58 50.53 2wr5 n ASN 15 Cb 0.00 -0.71 0.03 0.00 -2.08 0.00 0.00 39.78 37.02 2wr5 n ASN 15 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wr5 s SER 16 N -1.14 5.29 -0.01 0.53 0.15 -1.26 -4.94 113.70 112.31 2wr5 s SER 16 Ca 0.53 2.27 0.01 0.00 0.70 0.00 0.00 55.95 59.47 2wr5 s SER 16 Cb 0.43 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 62.17 2wr5 s SER 16 CO 0.13 -1.52 0.88 0.35 1.20 0.00 0.00 173.24 174.29 2wr5 n THR 17 N -1.66 0.78 -1.67 6.45 -2.24 -1.26 -4.87 114.28 109.81 2wr5 n THR 17 Ca 0.13 -0.80 -0.45 0.00 -2.27 0.00 0.00 64.05 60.65 2wr5 n THR 17 Cb 0.50 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.28 2wr5 n THR 17 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2wr5 n GLU 18 N -0.42 2.18 -5.03 -0.78 4.07 -1.26 -4.89 120.64 114.51 2wr5 n GLU 18 Ca 0.01 0.78 -0.29 0.00 -0.06 0.00 0.00 57.16 57.60 2wr5 n GLU 18 Cb 0.35 -2.54 -0.15 0.00 -0.06 0.00 0.00 31.44 29.03 2wr5 n GLU 18 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2wr5 s LYS 19 N 0.70 1.83 0.10 5.31 1.02 -1.26 -1.19 119.74 126.25 2wr5 s LYS 19 Ca 0.77 -0.96 0.02 0.00 0.02 0.00 0.00 55.97 55.82 2wr5 s LYS 19 Cb -0.66 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 2wr5 s LYS 19 CO 0.39 0.50 -0.07 0.14 -0.92 0.00 0.00 175.35 175.39 2wr5 s VAL 20 N -0.68 0.74 -0.06 3.17 -7.23 -0.19 -4.91 120.40 111.25 2wr5 s VAL 20 Ca 0.10 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 58.40 2wr5 s VAL 20 Cb -0.09 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 2wr5 s VAL 20 CO 0.00 -0.82 -0.10 -1.81 -0.31 0.00 0.00 175.10 172.07 2wr5 s ASP 21 N -2.95 4.41 0.51 4.85 1.01 -1.26 -1.34 116.67 121.89 2wr5 s ASP 21 Ca 0.11 -0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.31 2wr5 s ASP 21 Cb 0.04 -1.04 -0.00 0.00 1.01 0.00 0.00 42.92 42.92 2wr5 s ASP 21 CO -0.04 0.36 0.14 0.42 0.21 0.00 0.00 175.17 176.26 2wr5 s THR 22 N -0.78 1.44 0.28 -1.27 -4.23 0.88 -4.43 115.64 107.52 2wr5 s THR 22 Ca 0.12 -1.82 -0.03 0.00 -1.18 0.00 0.00 61.69 58.78 2wr5 s THR 22 Cb -0.11 -2.26 0.27 0.00 1.34 0.00 0.00 72.50 71.74 2wr5 s THR 22 CO 0.01 0.00 1.93 0.40 -0.54 0.00 0.00 174.62 176.42 2wr5 h ILE 23 N 1.19 1.17 0.00 2.99 1.08 -1.88 -3.19 117.51 118.87 2wr5 h ILE 23 Ca -0.42 -0.41 -0.20 0.00 -0.39 0.00 0.00 64.86 63.44 2wr5 h ILE 23 Cb 1.30 -0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.90 2wr5 h ILE 23 CO 0.69 0.22 -1.74 0.18 -0.69 0.00 0.00 178.15 176.80 2wr5 n LEU 24 N -4.44 0.55 -4.16 1.44 4.77 -1.26 -4.99 117.00 108.91 2wr5 n LEU 24 Ca 0.12 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 2wr5 n LEU 24 Cb 0.09 0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 2wr5 n LEU 24 CO 0.35 0.23 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.62 2wr5 s GLU 25 N -2.87 0.80 0.29 3.23 2.02 -1.21 -5.16 118.70 115.80 2wr5 s GLU 25 Ca -0.05 -1.15 0.10 0.00 0.02 0.00 0.00 54.97 53.89 2wr5 s GLU 25 Cb 0.09 -0.42 -0.05 0.00 0.10 0.00 0.00 34.13 33.85 2wr5 s GLU 25 CO 0.83 0.05 -0.06 1.03 0.02 0.00 0.00 175.26 177.13 2wr5 s ARG 26 N -2.90 2.04 -1.48 1.61 1.81 -1.26 -0.08 118.95 118.67 2wr5 s ARG 26 Ca 0.05 -1.62 -0.10 0.00 -1.72 0.00 0.00 55.73 52.34 2wr5 s ARG 26 Cb -0.02 -1.97 0.06 0.00 -0.45 0.00 0.00 34.95 32.58 2wr5 s ARG 26 CO -0.01 0.29 0.86 0.09 -0.68 0.00 0.00 175.30 175.85 2wr5 n ASN 27 N -0.82 -3.48 -4.65 0.23 4.13 -1.22 -4.93 115.26 104.52 2wr5 n ASN 27 Ca -0.05 -0.82 -0.40 0.00 1.68 0.00 0.00 54.58 54.99 2wr5 n ASN 27 Cb 0.60 -3.78 -0.07 0.00 -1.54 0.00 0.00 39.78 35.00 2wr5 n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wr5 s VAL 28 N -3.44 5.06 0.11 2.41 1.01 -0.45 -4.84 120.40 120.25 2wr5 s VAL 28 Ca 0.46 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 2wr5 s VAL 28 Cb -0.23 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 2wr5 s VAL 28 CO 0.84 0.12 1.04 -0.89 0.00 0.00 0.00 175.10 176.21 2wr5 s THR 29 N 1.97 4.29 0.14 3.92 2.01 -1.26 -1.02 115.64 125.69 2wr5 s THR 29 Ca 0.25 1.83 0.07 0.00 0.31 0.00 0.00 61.69 64.16 2wr5 s THR 29 Cb -0.16 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 2wr5 s THR 29 CO 0.09 0.25 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.41 2wr5 s VAL 30 N 0.24 1.61 0.05 3.82 1.01 -0.33 -2.17 120.40 124.62 2wr5 s VAL 30 Ca 0.50 -1.77 -0.21 0.00 0.00 0.00 0.00 61.98 60.50 2wr5 s VAL 30 Cb -0.26 -1.66 -0.13 0.00 0.00 0.00 0.00 36.38 34.32 2wr5 s VAL 30 CO 0.31 -0.31 1.43 0.74 0.00 0.00 0.00 175.10 177.27 2wr5 h THR 31 N 3.51 1.29 -3.60 3.92 2.02 -1.39 -3.40 112.91 115.26 2wr5 h THR 31 Ca -0.42 -1.00 -0.15 0.00 0.77 0.00 0.00 66.41 65.61 2wr5 h THR 31 Cb 1.20 1.67 -0.21 0.00 -1.74 0.00 0.00 68.15 69.07 2wr5 h THR 31 CO 0.49 0.29 -0.53 -1.00 0.37 0.00 0.00 175.52 175.14 2wr5 s HIS 32 N -4.71 0.08 0.19 3.16 3.76 -1.26 -4.79 115.29 111.72 2wr5 s HIS 32 Ca -0.14 -0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 54.44 2wr5 s HIS 32 Cb 0.05 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.67 2wr5 s HIS 32 CO 0.72 -0.27 0.39 0.00 -0.85 0.00 0.00 174.74 174.74 2wr5 s ALA 33 N -1.40 -0.27 -0.11 -1.40 0.00 -1.26 -1.01 121.76 116.32 2wr5 s ALA 33 Ca -0.15 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 2wr5 s ALA 33 Cb -0.08 0.93 0.03 0.00 0.00 0.00 0.00 23.12 24.00 2wr5 s ALA 33 CO 0.01 -0.74 -0.03 0.21 0.00 0.00 0.00 175.76 175.21 2wr5 s LYS 34 N -3.96 1.07 0.16 0.00 2.20 0.46 -4.88 119.74 114.78 2wr5 s LYS 34 Ca 0.17 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 2wr5 s LYS 34 Cb 0.01 -1.41 -0.08 0.00 -1.51 0.00 0.00 37.83 34.85 2wr5 s LYS 34 CO 0.02 -0.32 1.26 0.34 -0.36 0.00 0.00 175.35 176.28 2wr5 s ASP 35 N 1.82 6.99 -0.17 1.43 2.15 -1.26 -0.07 116.67 127.56 2wr5 s ASP 35 Ca 0.04 2.26 0.17 0.00 0.43 0.00 0.00 52.55 55.45 2wr5 s ASP 35 Cb -0.13 -2.60 0.40 0.00 -0.30 0.00 0.00 42.92 40.29 2wr5 s ASP 35 CO -0.07 -0.48 1.28 2.30 -0.17 0.00 0.00 175.17 178.03 2wr5 n ILE 36 N 3.01 2.11 -4.02 4.11 -5.35 0.43 -4.91 119.36 114.74 2wr5 n ILE 36 Ca 0.07 -2.25 -0.34 0.00 -0.27 0.00 0.00 62.75 59.96 2wr5 n ILE 36 Cb 0.44 -0.25 -0.15 0.00 -1.74 0.00 0.00 39.64 37.94 2wr5 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr5 s LEU 37 N -2.92 2.95 -0.02 7.28 2.96 -1.25 -3.62 118.68 124.06 2wr5 s LEU 37 Ca 0.37 -0.90 -0.30 0.00 -0.22 0.00 0.00 54.13 53.08 2wr5 s LEU 37 Cb 0.32 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 2wr5 s LEU 37 CO 0.04 -0.10 1.16 -0.70 -1.32 0.00 0.00 176.35 175.43 2wr5 s GLU 38 N 1.28 4.41 0.00 1.98 2.56 0.87 -4.90 118.70 124.90 2wr5 s GLU 38 Ca -0.00 1.65 0.00 0.00 0.00 0.00 0.00 54.97 56.62 2wr5 s GLU 38 Cb -0.16 -3.48 0.00 0.00 2.00 0.00 0.00 34.13 32.49 2wr5 s GLU 38 CO -0.07 -0.33 0.32 1.63 -0.56 0.00 0.00 175.26 176.25 2wr5 n LYS 39 N 4.65 0.12 -5.21 4.30 5.02 -1.26 -2.69 118.16 123.09 2wr5 n LYS 39 Ca 0.10 -0.32 -0.31 0.00 -2.02 0.00 0.00 58.31 55.75 2wr5 n LYS 39 Cb 0.47 -0.80 -0.16 0.00 -0.02 0.00 0.00 35.03 34.52 2wr5 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr5 s THR 40 N -0.11 2.26 0.30 -0.18 -4.23 -1.26 -4.89 115.64 107.53 2wr5 s THR 40 Ca 0.00 -1.02 0.06 0.00 -1.18 0.00 0.00 61.69 59.55 2wr5 s THR 40 Cb 0.00 -1.81 -0.06 0.00 1.34 0.00 0.00 72.50 71.97 2wr5 s THR 40 CO 0.00 0.58 -0.03 -1.38 -0.54 0.00 0.00 174.62 173.25 2wr5 s HIS 41 N -0.50 2.03 -2.60 3.99 -3.43 -1.26 -4.74 115.29 108.77 2wr5 s HIS 41 Ca 0.07 -0.74 0.27 0.00 -0.80 0.00 0.00 55.06 53.86 2wr5 s HIS 41 Cb -0.11 -1.22 0.83 0.00 -1.43 0.00 0.00 32.58 30.65 2wr5 s HIS 41 CO 0.01 0.26 1.62 0.27 -2.00 0.00 0.00 174.74 174.89 2wr5 n ASN 42 N -0.65 1.86 0.00 7.38 0.23 -0.77 -4.90 115.26 118.41 2wr5 n ASN 42 Ca -0.05 -1.61 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 2wr5 n ASN 42 Cb 0.64 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.35 2wr5 n ASN 42 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr5 n GLY 43 N 1.22 0.68 3.90 4.83 0.00 -1.26 -4.85 105.19 109.72 2wr5 n GLY 43 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2wr5 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr5 s LYS 44 N -0.30 3.46 -0.31 1.61 1.02 -1.26 -4.72 119.74 119.24 2wr5 s LYS 44 Ca 0.00 0.27 -0.05 0.00 0.02 0.00 0.00 55.97 56.21 2wr5 s LYS 44 Cb 0.00 -2.31 0.03 0.00 -0.52 0.00 0.00 37.83 35.04 2wr5 s LYS 44 CO 0.00 -0.34 0.06 -1.17 -0.92 0.00 0.00 175.35 172.97 2wr5 s LEU 45 N -4.86 4.02 0.00 3.17 0.20 -1.26 -2.81 118.68 117.15 2wr5 s LEU 45 Ca 0.50 -1.07 0.03 0.00 0.69 0.00 0.00 54.13 54.28 2wr5 s LEU 45 Cb -0.10 -1.81 0.03 0.00 -0.43 0.00 0.00 46.19 43.87 2wr5 s LEU 45 CO 0.47 -0.27 0.27 0.00 -0.29 0.00 0.00 176.35 176.52 2wr5 s ARG 47 N -3.20 2.83 -0.50 0.00 1.70 -0.89 -4.71 118.95 114.17 2wr5 s ARG 47 Ca 0.20 -0.62 -0.17 0.00 -0.47 0.00 0.00 55.73 54.68 2wr5 s ARG 47 Cb -0.02 -2.70 0.08 0.00 -0.57 0.00 0.00 34.95 31.74 2wr5 s ARG 47 CO 0.13 0.61 0.50 -1.17 -1.08 0.00 0.00 175.30 174.29 2wr5 s LEU 48 N -1.77 5.50 -1.36 -1.89 2.96 -0.33 -2.28 118.68 119.51 2wr5 s LEU 48 Ca 0.22 -1.28 -0.05 0.00 -0.22 0.00 0.00 54.13 52.80 2wr5 s LEU 48 Cb -0.12 -2.27 0.02 0.00 0.50 0.00 0.00 46.19 44.33 2wr5 s LEU 48 CO 0.13 -0.78 0.91 -1.20 -1.32 0.00 0.00 176.35 174.10 2wr5 n SER 49 N 5.56 -3.14 0.00 3.68 7.64 -0.90 -2.24 113.62 124.22 2wr5 n SER 49 Ca -0.11 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.05 2wr5 n SER 49 Cb 0.44 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 59.27 2wr5 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr5 n GLY 50 N -1.60 2.71 3.41 0.23 0.00 -1.26 -5.02 105.19 103.66 2wr5 n GLY 50 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 2wr5 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr5 s ILE 51 N -2.23 3.73 1.00 -0.61 1.01 -0.95 -5.08 121.20 118.07 2wr5 s ILE 51 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 2wr5 s ILE 51 Cb 0.00 -2.68 0.19 0.00 0.01 0.00 0.00 42.46 39.98 2wr5 s ILE 51 CO 0.00 0.44 1.08 -2.84 0.00 0.00 0.00 174.94 173.61 2wr5 s PRO 52 N 1.05 0.38 0.20 2.79 0.02 -1.26 -1.18 135.00 136.99 2wr5 s PRO 52 Ca 0.01 0.86 -0.12 0.00 0.02 0.00 0.00 61.00 61.77 2wr5 s PRO 52 Cb -0.14 -1.70 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 2wr5 s PRO 52 CO 0.01 -2.86 0.56 -1.25 -0.33 0.00 0.00 177.00 173.13 2wr5 s PRO 53 N -4.76 3.88 -0.26 5.54 0.05 -1.26 -0.69 135.00 137.50 2wr5 s PRO 53 Ca 0.66 0.38 -0.29 0.00 0.05 0.00 0.00 61.00 61.79 2wr5 s PRO 53 Cb -0.21 -2.74 -0.00 0.00 0.05 0.00 0.00 34.50 31.60 2wr5 s PRO 53 CO 0.60 0.37 1.29 -1.17 0.05 0.00 0.00 177.00 178.13 2wr5 s LEU 54 N -2.51 3.97 -0.20 -3.56 2.96 -0.55 -4.92 118.68 113.86 2wr5 s LEU 54 Ca 0.44 1.34 -0.12 0.00 -0.22 0.00 0.00 54.13 55.57 2wr5 s LEU 54 Cb -0.13 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2wr5 s LEU 54 CO 0.20 -0.99 0.24 -1.61 -1.32 0.00 0.00 176.35 172.87 2wr5 s GLU 55 N 3.97 4.18 0.00 1.98 2.02 -1.26 -1.90 118.70 127.69 2wr5 s GLU 55 Ca 0.56 -0.05 0.24 0.00 0.02 0.00 0.00 54.97 55.73 2wr5 s GLU 55 Cb -0.18 -3.47 0.31 0.00 0.10 0.00 0.00 34.13 30.88 2wr5 s GLU 55 CO 0.20 0.16 1.33 1.28 0.02 0.00 0.00 175.26 178.25 2wr5 n LEU 56 N 3.90 3.17 0.00 1.80 4.77 -1.05 -4.91 117.00 124.68 2wr5 n LEU 56 Ca -0.13 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 2wr5 n LEU 56 Cb 0.52 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2wr5 n LEU 56 CO 0.38 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 2wr5 n GLY 57 N 1.41 3.31 2.35 -0.72 0.00 -1.26 -0.69 105.19 109.60 2wr5 n GLY 57 Ca 0.16 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2wr5 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr5 n ASP 58 N 4.53 6.11 -4.92 1.61 5.68 -1.26 -4.40 116.55 123.91 2wr5 n ASP 58 Ca 0.00 -3.77 -0.20 0.00 -0.50 0.00 0.00 54.79 50.32 2wr5 n ASP 58 Cb 0.00 -0.67 -0.02 0.00 -1.14 0.00 0.00 41.12 39.29 2wr5 n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wr5 s SER 60 N -4.08 5.91 0.26 0.00 1.04 -0.88 -4.78 113.70 111.17 2wr5 s SER 60 Ca 0.42 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 2wr5 s SER 60 Cb -0.08 -1.55 0.50 0.00 0.10 0.00 0.00 66.02 64.99 2wr5 s SER 60 CO 0.29 -0.13 1.76 0.40 0.98 0.00 0.00 173.24 176.54 2wr5 h ILE 61 N 1.25 0.74 -0.08 -1.02 2.04 -1.97 0.61 117.51 119.08 2wr5 h ILE 61 Ca -0.49 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.19 2wr5 h ILE 61 Cb 1.24 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 2wr5 h ILE 61 CO 0.60 0.11 -0.17 0.00 0.00 0.00 0.00 178.15 178.69 2wr5 h ALA 62 N 1.54 -0.14 -0.06 1.87 0.00 -1.94 0.06 119.26 120.58 2wr5 h ALA 62 Ca 0.44 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.32 2wr5 h ALA 62 Cb 0.61 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2wr5 h ALA 62 CO -0.35 -0.64 -0.29 0.78 0.00 0.00 0.00 179.25 178.74 2wr5 h GLY 63 N -0.24 0.12 0.53 0.00 0.00 -1.35 -1.44 103.07 100.69 2wr5 h GLY 63 Ca 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2wr5 h GLY 63 CO -0.22 0.09 -0.02 -0.25 0.00 0.00 0.00 176.54 176.13 2wr5 h TRP 64 N 0.10 -0.05 -0.33 5.60 7.01 -0.37 0.31 115.95 128.22 2wr5 h TRP 64 Ca 0.01 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.98 2wr5 h TRP 64 Cb 0.58 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 2wr5 h TRP 64 CO 0.00 0.40 0.07 -0.07 -2.79 0.00 0.00 178.44 176.06 2wr5 h LEU 65 N -0.53 0.50 -1.29 0.65 3.38 -0.79 -2.89 115.31 114.34 2wr5 h LEU 65 Ca -0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 2wr5 h LEU 65 Cb 0.48 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2wr5 h LEU 65 CO 0.01 0.61 -0.03 -0.07 0.09 0.00 0.00 178.44 179.05 2wr5 h LEU 66 N 0.37 0.42 -0.49 1.67 3.38 -1.34 -3.44 115.31 115.87 2wr5 h LEU 66 Ca 0.10 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wr5 h LEU 66 Cb 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wr5 h LEU 66 CO 0.00 0.51 0.00 0.61 0.09 0.00 0.00 178.44 179.65 2wr5 n GLY 67 N -0.90 0.52 3.72 0.83 0.00 -0.58 -1.32 105.19 107.46 2wr5 n GLY 67 Ca 0.01 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2wr5 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr5 n ASN 68 N -0.25 3.47 0.25 1.61 2.85 0.99 -0.37 115.26 123.82 2wr5 n ASN 68 Ca 0.00 1.14 0.17 0.00 -0.11 0.00 0.00 54.58 55.78 2wr5 n ASN 68 Cb 0.12 -1.53 0.87 0.00 1.24 0.00 0.00 39.78 40.48 2wr5 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr5 h PRO 69 N 4.72 0.00 0.00 1.20 0.11 -1.90 -0.22 132.00 135.91 2wr5 h PRO 69 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wr5 h PRO 69 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2wr5 h PRO 69 CO 0.79 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.97 2wr5 n GLU 70 N -2.73 0.96 -0.46 1.05 -0.58 -1.26 -3.06 120.64 114.56 2wr5 n GLU 70 Ca -0.01 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.81 2wr5 n GLU 70 Cb 0.11 -1.43 0.26 0.00 -0.57 0.00 0.00 31.44 29.81 2wr5 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr5 h ASP 72 N 1.76 0.66 -0.17 0.00 3.45 -1.69 -2.75 116.42 117.69 2wr5 h ASP 72 Ca 0.01 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.28 2wr5 h ASP 72 Cb 1.46 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 2wr5 h ASP 72 CO 0.23 0.81 0.00 0.54 -1.57 0.00 0.00 179.24 179.25 2wr5 n ARG 73 N -4.17 1.83 0.03 3.56 1.74 -1.26 -4.54 116.66 113.84 2wr5 n ARG 73 Ca 0.01 -0.79 0.00 0.00 -0.77 0.00 0.00 57.85 56.30 2wr5 n ARG 73 Cb 0.36 -1.51 0.31 0.00 -1.02 0.00 0.00 32.46 30.60 2wr5 n ARG 73 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2wr5 h LEU 74 N 1.09 0.43 -2.68 0.55 7.12 -1.85 -3.48 115.31 116.50 2wr5 h LEU 74 Ca 0.00 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.92 2wr5 h LEU 74 Cb 0.67 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 2wr5 h LEU 74 CO 0.08 0.54 -0.37 -0.11 -0.13 0.00 0.00 178.44 178.45 2wr5 n LEU 75 N -4.27 -4.26 -4.57 2.25 7.94 -1.26 -4.90 117.00 107.93 2wr5 n LEU 75 Ca 0.01 0.53 -0.37 0.00 -1.11 0.00 0.00 56.01 55.07 2wr5 n LEU 75 Cb 0.26 -1.89 -0.11 0.00 0.53 0.00 0.00 43.42 42.22 2wr5 n LEU 75 CO 0.39 -1.20 -0.21 -0.55 -1.11 0.00 0.00 177.39 174.71 2wr5 s SER 76 N -0.64 5.75 0.42 1.96 0.15 -1.26 -4.81 113.70 115.26 2wr5 s SER 76 Ca 0.00 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.63 2wr5 s SER 76 Cb -0.00 -2.05 -0.01 0.00 -1.71 0.00 0.00 66.02 62.25 2wr5 s SER 76 CO 0.29 -0.00 0.62 0.68 1.20 0.00 0.00 173.24 176.03 2wr5 s VAL 77 N 1.46 4.17 -2.46 4.45 -7.23 -1.26 -5.04 120.40 114.49 2wr5 s VAL 77 Ca 0.06 -0.57 0.23 0.00 -1.81 0.00 0.00 61.98 59.90 2wr5 s VAL 77 Cb -0.15 -3.53 0.08 0.00 0.56 0.00 0.00 36.38 33.34 2wr5 s VAL 77 CO 0.07 -0.34 1.16 -0.81 -0.31 0.00 0.00 175.10 174.87 2wr5 n PRO 78 N -1.97 1.71 0.00 4.82 -0.05 -1.26 -4.84 135.00 133.41 2wr5 n PRO 78 Ca 0.00 -1.42 0.00 0.00 -0.05 0.00 0.00 63.50 62.04 2wr5 n PRO 78 Cb 0.57 -1.47 0.00 0.00 -0.05 0.00 0.00 33.50 32.56 2wr5 n PRO 78 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 2wr5 n GLU 79 N 0.59 0.00 -1.66 0.54 2.13 -1.26 -1.14 120.64 119.84 2wr5 n GLU 79 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2wr5 n GLU 79 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 2wr5 n GLU 79 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 2wr5 n TRP 80 N -0.87 -4.35 -0.00 4.31 2.14 -1.25 -4.08 117.44 113.33 2wr5 n TRP 80 Ca 0.00 2.32 0.00 0.00 2.07 0.00 0.00 57.50 61.89 2wr5 n TRP 80 Cb 0.00 -3.47 0.00 0.00 -0.81 0.00 0.00 31.31 27.03 2wr5 n TRP 80 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 2wr5 n SER 81 N -1.16 0.15 -3.61 -0.67 3.41 0.13 -3.35 113.62 108.52 2wr5 n SER 81 Ca 0.00 -0.57 -0.04 0.00 -0.26 0.00 0.00 58.87 58.00 2wr5 n SER 81 Cb 0.07 0.83 -0.02 0.00 -0.26 0.00 0.00 64.21 64.84 2wr5 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr5 s TYR 82 N -0.83 -0.17 -0.07 7.33 -0.85 -1.26 -4.70 117.35 116.80 2wr5 s TYR 82 Ca 0.00 0.03 0.02 0.00 -0.52 0.00 0.00 57.07 56.60 2wr5 s TYR 82 Cb 0.00 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.87 2wr5 s TYR 82 CO 0.00 -0.46 -0.12 0.42 -1.52 0.00 0.00 175.55 173.87 2wr5 s ILE 83 N -2.82 3.25 -0.20 -3.49 1.01 -1.04 -1.49 121.20 116.41 2wr5 s ILE 83 Ca 0.10 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 2wr5 s ILE 83 Cb 0.00 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 2wr5 s ILE 83 CO -0.04 0.58 0.05 -0.69 0.00 0.00 0.00 174.94 174.84 2wr5 s VAL 84 N -0.50 4.53 0.03 2.92 1.01 -0.80 0.62 120.40 128.22 2wr5 s VAL 84 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 2wr5 s VAL 84 Cb -0.12 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 2wr5 s VAL 84 CO 0.02 0.42 0.02 -0.70 0.00 0.00 0.00 175.10 174.86 2wr5 s GLU 85 N 0.78 0.46 0.63 2.72 2.12 -0.20 -2.52 118.70 122.70 2wr5 s GLU 85 Ca 0.03 -0.75 -0.09 0.00 0.36 0.00 0.00 54.97 54.52 2wr5 s GLU 85 Cb -0.14 0.17 -0.00 0.00 0.26 0.00 0.00 34.13 34.42 2wr5 s GLU 85 CO 0.02 -0.10 0.98 0.15 -0.54 0.00 0.00 175.26 175.78 2wr5 s LYS 86 N -2.27 3.08 0.49 4.30 1.02 -1.26 -1.50 119.74 123.60 2wr5 s LYS 86 Ca -0.08 0.32 0.19 0.00 0.02 0.00 0.00 55.97 56.42 2wr5 s LYS 86 Cb -0.04 -2.16 1.24 0.00 -0.52 0.00 0.00 37.83 36.35 2wr5 s LYS 86 CO -0.04 -0.75 2.06 1.49 -0.92 0.00 0.00 175.35 177.20 2wr5 h GLU 87 N -0.33 0.00 -1.64 1.68 4.57 -1.89 -3.38 114.58 113.58 2wr5 h GLU 87 Ca -0.45 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.44 2wr5 h GLU 87 Cb 1.24 0.00 -0.27 0.00 -0.16 0.00 0.00 28.75 29.56 2wr5 h GLU 87 CO 0.62 0.12 -0.63 1.21 -1.18 0.00 0.00 179.01 179.16 2wr5 s ASN 88 N -6.73 0.24 0.30 1.04 2.47 -1.26 -5.14 114.94 105.86 2wr5 s ASN 88 Ca -0.04 -1.50 -0.29 0.00 0.42 0.00 0.00 52.86 51.45 2wr5 s ASN 88 Cb 0.15 0.98 -0.10 0.00 -1.45 0.00 0.00 41.25 40.83 2wr5 s ASN 88 CO 0.65 -0.21 1.19 -2.84 -3.72 0.00 0.00 177.10 172.17 2wr5 s PRO 89 N 1.38 4.52 0.12 0.43 0.02 -1.26 -4.97 135.00 135.24 2wr5 s PRO 89 Ca 0.19 1.97 0.03 0.00 0.02 0.00 0.00 61.00 63.21 2wr5 s PRO 89 Cb -0.10 -3.14 -0.17 0.00 0.02 0.00 0.00 34.50 31.11 2wr5 s PRO 89 CO -0.05 0.04 1.27 0.00 -0.33 0.00 0.00 177.00 177.93 2wr5 h THR 90 N 3.10 1.60 -3.42 0.99 1.03 -1.85 -3.42 112.91 110.95 2wr5 h THR 90 Ca -0.47 -3.12 -0.72 0.00 -0.01 0.00 0.00 66.41 62.08 2wr5 h THR 90 Cb 1.22 2.78 -0.31 0.00 -1.07 0.00 0.00 68.15 70.77 2wr5 h THR 90 CO 0.67 0.90 -0.36 0.20 -0.01 0.00 0.00 175.52 176.91 2wr5 s ASN 91 N -6.88 5.66 0.00 0.00 0.01 -0.56 -4.97 114.94 108.19 2wr5 s ASN 91 Ca -0.01 -2.17 0.00 0.00 -0.71 0.00 0.00 52.86 49.96 2wr5 s ASN 91 Cb 0.09 -1.98 0.00 0.00 0.41 0.00 0.00 41.25 39.78 2wr5 s ASN 91 CO 0.84 -0.60 0.00 0.61 -1.51 0.00 0.00 177.10 176.43 2wr5 n GLY 92 N 4.52 1.48 3.55 0.66 0.00 -1.26 -2.08 105.19 112.06 2wr5 n GLY 92 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2wr5 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr5 s LEU 93 N 0.00 3.17 0.21 0.99 1.43 -1.26 -4.12 118.68 119.10 2wr5 s LEU 93 Ca 0.00 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 2wr5 s LEU 93 Cb 0.00 -2.56 0.16 0.00 0.03 0.00 0.00 46.19 43.82 2wr5 s LEU 93 CO 0.00 -1.86 1.82 0.00 0.23 0.00 0.00 176.35 176.54 2wr5 s TYR 95 N -5.78 3.47 0.42 0.00 5.04 -1.26 -4.69 117.35 114.55 2wr5 s TYR 95 Ca -0.13 0.87 -0.26 0.00 -2.44 0.00 0.00 57.07 55.12 2wr5 s TYR 95 Cb 0.15 -2.60 -0.08 0.00 0.35 0.00 0.00 41.96 39.78 2wr5 s TYR 95 CO 0.81 0.07 1.34 -2.14 -1.34 0.00 0.00 175.55 174.30 2wr5 s PRO 96 N 0.97 3.86 0.00 4.97 0.02 -1.26 -4.74 135.00 138.82 2wr5 s PRO 96 Ca 0.26 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2wr5 s PRO 96 Cb -0.15 -2.71 0.00 0.00 0.02 0.00 0.00 34.50 31.66 2wr5 s PRO 96 CO 0.10 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 2wr5 n GLY 97 N 0.63 0.57 3.59 0.52 0.00 -1.26 -0.24 105.19 109.00 2wr5 n GLY 97 Ca 0.04 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 2wr5 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr5 s SER 98 N 0.37 3.22 -0.31 1.61 1.04 -0.92 -4.91 113.70 113.79 2wr5 s SER 98 Ca 0.00 -1.60 -0.02 0.00 0.48 0.00 0.00 55.95 54.80 2wr5 s SER 98 Cb 0.00 0.36 0.12 0.00 0.10 0.00 0.00 66.02 66.59 2wr5 s SER 98 CO 0.00 -0.82 0.17 0.12 0.98 0.00 0.00 173.24 173.69 2wr5 s PHE 99 N -3.08 0.37 -0.06 5.02 5.36 -1.26 -2.26 117.98 122.07 2wr5 s PHE 99 Ca 0.21 -1.07 -0.40 0.00 -0.96 0.00 0.00 56.93 54.71 2wr5 s PHE 99 Cb 0.04 -0.86 -0.19 0.00 -0.34 0.00 0.00 43.02 41.67 2wr5 s PHE 99 CO 0.11 -0.84 1.25 0.09 -1.46 0.00 0.00 175.22 174.38 2wr5 n ASN 100 N 4.84 0.74 -3.79 6.13 3.02 -0.32 -2.06 115.26 123.83 2wr5 n ASN 100 Ca 0.00 1.15 -0.23 0.00 -0.03 0.00 0.00 54.58 55.47 2wr5 n ASN 100 Cb 0.41 -1.00 0.02 0.00 -0.61 0.00 0.00 39.78 38.59 2wr5 n ASN 100 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wr5 n ASP 101 N 2.34 -1.33 -0.03 6.41 8.00 -1.26 -4.70 116.55 125.97 2wr5 n ASP 101 Ca 0.21 -0.86 -0.12 0.00 0.71 0.00 0.00 54.79 54.73 2wr5 n ASP 101 Cb 0.10 -3.78 -0.07 0.00 -0.02 0.00 0.00 41.12 37.35 2wr5 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr5 h TYR 102 N -1.88 0.19 -0.66 1.24 3.20 -1.83 -2.61 116.97 114.62 2wr5 h TYR 102 Ca -0.61 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.24 2wr5 h TYR 102 Cb 1.36 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.55 2wr5 h TYR 102 CO 0.48 0.45 0.44 0.93 -1.64 0.00 0.00 178.16 178.82 2wr5 h GLU 103 N -0.13 0.82 -0.22 1.82 3.07 -1.90 0.27 114.58 118.31 2wr5 h GLU 103 Ca 0.03 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 2wr5 h GLU 103 Cb 0.38 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 2wr5 h GLU 103 CO 0.01 0.54 -0.20 0.93 -1.40 0.00 0.00 179.01 178.89 2wr5 h GLU 104 N 0.84 0.39 -0.24 2.33 4.39 -1.90 -0.96 114.58 119.43 2wr5 h GLU 104 Ca 0.25 -0.12 -0.16 0.00 0.34 0.00 0.00 59.36 59.67 2wr5 h GLU 104 Cb -0.01 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2wr5 h GLU 104 CO -0.06 0.57 -0.47 1.25 -1.16 0.00 0.00 179.01 179.14 2wr5 h LEU 105 N 0.35 0.84 -0.48 1.33 5.85 -0.75 -1.31 115.31 121.15 2wr5 h LEU 105 Ca 0.06 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 2wr5 h LEU 105 Cb 0.55 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2wr5 h LEU 105 CO 0.04 1.22 0.21 0.11 -0.34 0.00 0.00 178.44 179.68 2wr5 h LYS 106 N 0.49 0.70 -0.98 1.25 1.57 -0.76 -2.06 116.57 116.78 2wr5 h LYS 106 Ca 0.01 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2wr5 h LYS 106 Cb 1.08 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.22 2wr5 h LYS 106 CO 0.11 0.61 0.62 1.25 -0.57 0.00 0.00 179.45 181.46 2wr5 h HIS 107 N 0.63 1.26 -0.10 -1.35 2.76 -1.07 -1.87 115.15 115.41 2wr5 h HIS 107 Ca 0.16 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.39 2wr5 h HIS 107 Cb 0.15 -0.42 -0.05 0.00 1.55 0.00 0.00 27.41 28.64 2wr5 h HIS 107 CO -0.00 0.81 -0.20 1.25 -1.30 0.00 0.00 177.93 178.49 2wr5 h LEU 108 N 1.34 -0.60 -0.09 0.26 6.46 -0.73 -2.61 115.31 119.33 2wr5 h LEU 108 Ca 0.35 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 58.21 2wr5 h LEU 108 Cb -0.11 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 2wr5 h LEU 108 CO -0.07 -0.25 0.00 0.18 -0.62 0.00 0.00 178.44 177.68 2wr5 n LEU 109 N -5.33 0.13 0.08 2.25 4.77 -0.75 -4.13 117.00 114.02 2wr5 n LEU 109 Ca -0.03 -0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 2wr5 n LEU 109 Cb 0.25 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 2wr5 n LEU 109 CO 0.21 0.03 0.79 0.00 -1.33 0.00 0.00 177.39 177.09 2wr5 h THR 110 N 0.16 0.95 -3.00 -5.08 1.03 -1.02 -3.43 112.91 102.52 2wr5 h THR 110 Ca 0.00 -0.18 -0.64 0.00 -0.01 0.00 0.00 66.41 65.58 2wr5 h THR 110 Cb 0.04 1.06 -0.17 0.00 -1.07 0.00 0.00 68.15 68.01 2wr5 h THR 110 CO 0.00 0.04 -0.79 -0.55 -0.01 0.00 0.00 175.52 174.21 2wr5 s SER 111 N -5.14 3.62 0.01 0.00 0.15 -1.26 -4.07 113.70 107.00 2wr5 s SER 111 Ca -0.14 -0.84 -0.23 0.00 0.70 0.00 0.00 55.95 55.44 2wr5 s SER 111 Cb 0.05 -0.35 0.05 0.00 -1.71 0.00 0.00 66.02 64.06 2wr5 s SER 111 CO 0.65 0.10 0.52 -0.69 1.20 0.00 0.00 173.24 175.03 2wr5 s VAL 112 N -1.81 0.03 0.00 4.45 1.01 -1.21 -4.90 120.40 117.96 2wr5 s VAL 112 Ca 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2wr5 s VAL 112 Cb -0.08 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2wr5 s VAL 112 CO 0.12 -0.12 0.72 0.35 0.00 0.00 0.00 175.10 176.16 2wr5 n THR 113 N 0.71 0.00 -2.03 3.92 -2.24 0.19 -4.47 114.28 110.36 2wr5 n THR 113 Ca -0.19 1.22 -0.02 0.00 -2.27 0.00 0.00 64.05 62.78 2wr5 n THR 113 Cb 0.59 -2.21 -0.02 0.00 -2.10 0.00 0.00 70.33 66.59 2wr5 n THR 113 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2wr5 n HIS 114 N -1.16 -2.76 -3.66 4.78 -0.00 -0.93 -4.68 115.22 106.81 2wr5 n HIS 114 Ca 0.00 1.62 -0.07 0.00 -0.00 0.00 0.00 57.72 59.28 2wr5 n HIS 114 Cb 0.00 -3.01 -0.08 0.00 -0.00 0.00 0.00 29.99 26.91 2wr5 n HIS 114 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wr5 s PHE 115 N -0.38 -0.99 -0.13 1.57 2.19 -0.29 -2.00 117.98 117.94 2wr5 s PHE 115 Ca -0.11 1.90 -0.07 0.00 0.33 0.00 0.00 56.93 58.98 2wr5 s PHE 115 Cb 0.01 0.54 0.05 0.00 -1.31 0.00 0.00 43.02 42.31 2wr5 s PHE 115 CO 0.31 -0.52 0.31 -2.00 1.83 0.00 0.00 175.22 175.15 2wr5 s GLU 116 N 2.06 0.28 -0.19 10.12 2.12 -0.59 -4.52 118.70 127.99 2wr5 s GLU 116 Ca -0.08 0.64 -0.29 0.00 0.36 0.00 0.00 54.97 55.60 2wr5 s GLU 116 Cb -0.09 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.22 2wr5 s GLU 116 CO -0.17 -0.16 1.02 0.21 -0.54 0.00 0.00 175.26 175.61 2wr5 s LYS 117 N 1.35 4.31 -0.06 4.30 2.20 -1.26 -1.16 119.74 129.42 2wr5 s LYS 117 Ca -0.09 1.35 0.04 0.00 -0.36 0.00 0.00 55.97 56.90 2wr5 s LYS 117 Cb -0.10 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 2wr5 s LYS 117 CO -0.10 -0.52 -0.16 0.42 -0.36 0.00 0.00 175.35 174.63 2wr5 s ILE 118 N 2.78 2.87 -0.57 5.43 1.01 -0.41 -4.98 121.20 127.33 2wr5 s ILE 118 Ca 0.45 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 60.07 2wr5 s ILE 118 Cb -0.16 -2.12 0.04 0.00 0.01 0.00 0.00 42.46 40.23 2wr5 s ILE 118 CO 0.10 0.58 0.96 -0.75 0.00 0.00 0.00 174.94 175.83 2wr5 s LYS 119 N -0.53 3.30 -0.13 2.79 2.20 -1.26 -1.16 119.74 124.95 2wr5 s LYS 119 Ca 0.07 -0.33 0.10 0.00 -0.36 0.00 0.00 55.97 55.46 2wr5 s LYS 119 Cb -0.12 -4.08 -0.15 0.00 -1.51 0.00 0.00 37.83 31.97 2wr5 s LYS 119 CO 0.01 -1.55 0.02 0.44 -0.36 0.00 0.00 175.35 173.91 2wr5 n ILE 120 N 6.18 0.91 -3.56 5.43 -5.35 -0.12 -4.72 119.36 118.12 2wr5 n ILE 120 Ca 0.01 -0.53 -0.27 0.00 -0.27 0.00 0.00 62.75 61.69 2wr5 n ILE 120 Cb 0.47 -0.71 -0.10 0.00 -1.74 0.00 0.00 39.64 37.56 2wr5 n ILE 120 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wr5 n LEU 121 N -2.55 1.18 -4.65 7.28 4.77 -0.82 -4.96 117.00 117.25 2wr5 n LEU 121 Ca -0.22 -4.79 -0.45 0.00 -0.03 0.00 0.00 56.01 50.52 2wr5 n LEU 121 Cb 0.91 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.97 2wr5 n LEU 121 CO 0.26 1.86 0.90 -2.65 -1.33 0.00 0.00 177.39 176.43 2wr5 n PRO 122 N 2.23 1.86 -0.13 3.23 -0.02 -1.26 -4.43 135.00 136.48 2wr5 n PRO 122 Ca 0.25 0.66 -0.06 0.00 -2.02 0.00 0.00 63.50 62.33 2wr5 n PRO 122 Cb 0.43 -2.25 -0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2wr5 n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wr5 h ARG 123 N 3.52 -0.20 -0.22 -0.52 3.08 -1.94 -3.05 114.38 115.05 2wr5 h ARG 123 Ca -0.44 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 2wr5 h ARG 123 Cb 1.29 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 2wr5 h ARG 123 CO 0.71 -0.13 0.13 0.38 -1.07 0.00 0.00 179.97 179.99 2wr5 h ASP 124 N -0.20 0.26 0.03 7.04 -0.00 -2.01 -1.13 116.42 120.41 2wr5 h ASP 124 Ca 0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.21 2wr5 h ASP 124 Cb 0.51 -0.07 0.00 0.00 -0.00 0.00 0.00 39.33 39.78 2wr5 h ASP 124 CO -0.54 0.20 0.00 0.00 -0.00 0.00 0.00 179.24 178.91 2wr5 n GLN 125 N -4.49 0.24 -2.09 4.15 6.02 -1.15 -3.44 117.38 116.63 2wr5 n GLN 125 Ca 0.00 0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.63 2wr5 n GLN 125 Cb 0.09 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.84 2wr5 n GLN 125 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2wr5 n TRP 126 N -1.06 2.70 0.23 1.08 7.02 -0.43 -4.80 117.44 122.17 2wr5 n TRP 126 Ca 0.06 -2.82 0.11 0.00 -1.02 0.00 0.00 57.50 53.83 2wr5 n TRP 126 Cb 0.04 -1.89 0.45 0.00 -2.42 0.00 0.00 31.31 27.49 2wr5 n TRP 126 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wr5 h THR 127 N 3.01 0.44 -0.09 -0.99 1.03 -1.84 -2.90 112.91 111.57 2wr5 h THR 127 Ca 0.60 -1.08 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 2wr5 h THR 127 Cb 0.41 1.78 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 2wr5 h THR 127 CO 1.54 0.19 0.00 0.00 -0.01 0.00 0.00 175.52 177.24 2wr5 n GLN 128 N -3.31 1.95 -4.26 0.00 6.02 -1.26 -4.94 117.38 111.57 2wr5 n GLN 128 Ca 0.01 -1.39 -0.15 0.00 -0.01 0.00 0.00 57.00 55.46 2wr5 n GLN 128 Cb 0.44 -1.46 -0.10 0.00 1.02 0.00 0.00 30.24 30.13 2wr5 n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wr5 s HIS 129 N -1.91 1.30 0.20 1.08 3.76 -1.10 -4.36 115.29 114.27 2wr5 s HIS 129 Ca 0.34 -0.78 -0.26 0.00 -0.15 0.00 0.00 55.06 54.22 2wr5 s HIS 129 Cb 0.20 -0.67 -0.08 0.00 1.11 0.00 0.00 32.58 33.14 2wr5 s HIS 129 CO 0.31 0.07 0.82 0.99 -0.85 0.00 0.00 174.74 176.08 2wr5 s THR 130 N -3.33 4.31 -0.02 1.30 2.01 0.33 -4.85 115.64 115.39 2wr5 s THR 130 Ca 0.18 1.75 0.01 0.00 0.31 0.00 0.00 61.69 63.94 2wr5 s THR 130 Cb 0.03 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 2wr5 s THR 130 CO 0.02 0.45 0.00 0.41 -0.69 0.00 0.00 174.62 174.81 2wr5 n THR 131 N 1.39 0.11 1.05 -0.82 -1.04 -1.26 -1.74 114.28 111.98 2wr5 n THR 131 Ca -0.04 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2wr5 n THR 131 Cb 0.49 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 2wr5 n THR 131 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wr5 n THR 132 N -2.16 0.00 -1.68 12.58 -2.24 -1.26 -4.41 114.28 115.11 2wr5 n THR 132 Ca -0.03 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.25 2wr5 n THR 132 Cb 0.55 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 2wr5 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr5 n GLY 133 N 0.14 1.18 3.62 3.38 0.00 -1.26 -4.96 105.19 107.28 2wr5 n GLY 133 Ca 0.00 0.83 -0.29 0.00 0.00 0.00 0.00 46.02 46.56 2wr5 n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wr5 s GLY 134 N 3.14 2.85 0.00 -0.02 0.00 -1.26 -4.69 107.32 107.34 2wr5 s GLY 134 Ca 0.91 -0.78 -0.05 0.00 0.00 0.00 0.00 44.72 44.80 2wr5 s GLY 134 CO 0.52 -1.97 0.09 -0.45 0.00 0.00 0.00 173.10 171.29 2wr5 s SER 135 N -3.73 0.07 0.26 1.64 0.15 0.17 -4.82 113.70 107.44 2wr5 s SER 135 Ca 0.15 -0.25 0.24 0.00 0.70 0.00 0.00 55.95 56.79 2wr5 s SER 135 Cb 0.01 0.18 0.97 0.00 -1.71 0.00 0.00 66.02 65.47 2wr5 s SER 135 CO 0.10 -0.32 1.72 -1.14 1.20 0.00 0.00 173.24 174.80 2wr5 n ARG 136 N 1.64 0.20 0.22 5.44 3.00 -1.26 -1.98 116.66 123.92 2wr5 n ARG 136 Ca -0.22 0.40 0.10 0.00 -0.00 0.00 0.00 57.85 58.13 2wr5 n ARG 136 Cb 0.56 -1.87 0.42 0.00 0.00 0.00 0.00 32.46 31.57 2wr5 n ARG 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wr5 h ALA 137 N 2.29 0.99 -0.60 5.13 0.00 -1.89 -2.98 119.26 122.20 2wr5 h ALA 137 Ca 0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 54.91 54.27 2wr5 h ALA 137 Cb 0.40 -0.04 -0.31 0.00 0.00 0.00 0.00 17.79 17.84 2wr5 h ALA 137 CO 0.00 0.30 -0.57 0.00 0.00 0.00 0.00 179.25 178.97 2wr5 n ALA 139 N -0.84 1.41 -0.02 0.00 0.00 -1.13 -3.23 120.51 116.71 2wr5 n ALA 139 Ca 0.40 0.31 0.00 0.00 0.00 0.00 0.00 53.44 54.15 2wr5 n ALA 139 Cb 0.90 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.01 2wr5 n ALA 139 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wr5 n VAL 140 N 0.06 0.23 -1.32 0.00 0.24 -1.26 -4.86 118.33 111.43 2wr5 n VAL 140 Ca 0.05 -0.24 -0.27 0.00 -2.04 0.00 0.00 64.34 61.84 2wr5 n VAL 140 Cb 0.38 -0.21 0.13 0.00 -1.47 0.00 0.00 33.84 32.68 2wr5 n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wr5 n GLY 142 N 2.29 5.20 3.90 7.63 0.00 -1.26 -4.90 105.19 118.04 2wr5 n GLY 142 Ca -0.06 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 43.99 2wr5 n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wr5 s ASN 143 N -1.71 6.20 0.35 1.61 0.01 -1.26 -5.03 114.94 115.11 2wr5 s ASN 143 Ca 0.59 1.06 -0.28 0.00 -0.71 0.00 0.00 52.86 53.51 2wr5 s ASN 143 Cb 0.48 -2.27 -0.12 0.00 0.41 0.00 0.00 41.25 39.76 2wr5 s ASN 143 CO 0.05 -0.70 1.45 -2.65 -1.51 0.00 0.00 177.10 173.74 2wr5 n PRO 144 N -2.43 2.51 0.00 -0.60 -0.02 -1.26 -4.50 135.00 128.71 2wr5 n PRO 144 Ca 0.02 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 2wr5 n PRO 144 Cb 0.55 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2wr5 n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wr5 n SER 145 N 0.83 0.15 -3.60 2.55 2.88 -0.84 -4.55 113.62 111.04 2wr5 n SER 145 Ca 0.03 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.55 2wr5 n SER 145 Cb 0.38 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.82 2wr5 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr5 s PHE 146 N 0.84 -0.11 -0.09 0.66 5.36 -1.25 0.42 117.98 123.81 2wr5 s PHE 146 Ca 0.00 0.04 -0.39 0.00 -0.96 0.00 0.00 56.93 55.62 2wr5 s PHE 146 Cb 0.00 0.52 -0.18 0.00 -0.34 0.00 0.00 43.02 43.03 2wr5 s PHE 146 CO 0.00 -0.22 1.41 1.19 -1.46 0.00 0.00 175.22 176.14 2wr5 n PHE 147 N -0.18 1.49 0.33 10.12 3.01 -1.26 -4.69 117.46 126.28 2wr5 n PHE 147 Ca -0.02 0.76 0.15 0.00 1.01 0.00 0.00 57.45 59.35 2wr5 n PHE 147 Cb 0.59 -2.30 0.53 0.00 -0.01 0.00 0.00 39.48 38.30 2wr5 n PHE 147 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wr5 h ARG 148 N 4.93 0.00 -0.02 -1.08 3.08 -0.73 -2.92 114.38 117.64 2wr5 h ARG 148 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2wr5 h ARG 148 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 2wr5 h ARG 148 CO 0.82 0.00 -0.14 0.09 -1.07 0.00 0.00 179.97 179.66 2wr5 n ASN 149 N -2.78 1.96 -4.48 7.04 3.02 -0.44 -4.93 115.26 114.65 2wr5 n ASN 149 Ca 0.02 -1.53 -0.24 0.00 -0.03 0.00 0.00 54.58 52.79 2wr5 n ASN 149 Cb 0.33 0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.52 2wr5 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr5 s MET 150 N -2.19 1.73 -0.14 3.52 -1.94 -1.10 -1.35 119.30 117.82 2wr5 s MET 150 Ca 0.28 -1.69 0.02 0.00 -1.71 0.00 0.00 55.69 52.59 2wr5 s MET 150 Cb 0.20 -1.83 0.01 0.00 2.01 0.00 0.00 34.83 35.23 2wr5 s MET 150 CO 0.41 0.34 -0.19 0.08 -0.01 0.00 0.00 175.02 175.65 2wr5 s VAL 151 N -2.37 1.84 -0.98 -6.03 1.01 0.35 -4.83 120.40 109.40 2wr5 s VAL 151 Ca 0.29 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 2wr5 s VAL 151 Cb -0.06 -1.66 0.17 0.00 0.00 0.00 0.00 36.38 34.84 2wr5 s VAL 151 CO 0.15 0.51 1.10 0.86 0.00 0.00 0.00 175.10 177.72 2wr5 s TRP 152 N 1.03 3.44 -0.02 5.22 -0.11 -1.26 -0.90 118.94 126.34 2wr5 s TRP 152 Ca -0.03 -1.78 -0.30 0.00 1.22 0.00 0.00 56.10 55.21 2wr5 s TRP 152 Cb -0.15 -4.15 -0.08 0.00 -1.50 0.00 0.00 33.47 27.60 2wr5 s TRP 152 CO -0.05 -1.31 1.97 -0.51 -4.62 0.00 0.00 176.95 172.43 2wr5 s LEU 153 N 1.56 4.26 0.39 5.86 1.43 -1.24 -4.26 118.68 126.68 2wr5 s LEU 153 Ca 0.31 2.49 0.05 0.00 -1.03 0.00 0.00 54.13 55.95 2wr5 s LEU 153 Cb -0.06 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 2wr5 s LEU 153 CO -0.07 -1.19 0.03 0.42 0.23 0.00 0.00 176.35 175.77 2wr5 s THR 154 N 5.04 1.55 0.55 5.49 -4.23 -0.71 -4.61 115.64 118.72 2wr5 s THR 154 Ca 0.89 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 59.19 2wr5 s THR 154 Cb -0.40 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 2wr5 s THR 154 CO 0.39 0.00 1.21 -1.59 -0.54 0.00 0.00 174.62 174.10 2wr5 s LYS 155 N -3.79 3.24 -0.27 3.99 -2.85 -0.28 -0.51 119.74 119.25 2wr5 s LYS 155 Ca 0.32 1.85 -0.06 0.00 -1.00 0.00 0.00 55.97 57.08 2wr5 s LYS 155 Cb 0.08 -2.11 0.00 0.00 -2.06 0.00 0.00 37.83 33.75 2wr5 s LYS 155 CO 0.15 -1.00 0.05 0.21 0.10 0.00 0.00 175.35 174.86 2wr5 s LYS 156 N -3.10 3.22 7.32 1.78 2.20 -0.44 -4.07 119.74 126.65 2wr5 s LYS 156 Ca 0.73 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.58 2wr5 s LYS 156 Cb -0.31 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 2wr5 s LYS 156 CO 0.35 -0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 2wr5 n GLY 157 N 4.85 2.29 1.01 5.54 0.00 -1.26 -2.46 105.19 115.16 2wr5 n GLY 157 Ca -0.16 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.59 2wr5 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr5 n SER 158 N 7.33 3.84 -4.40 1.61 3.41 -1.26 -5.02 113.62 119.13 2wr5 n SER 158 Ca 0.00 -2.52 -0.22 0.00 -0.26 0.00 0.00 58.87 55.87 2wr5 n SER 158 Cb 0.00 -0.45 -0.10 0.00 -0.26 0.00 0.00 64.21 63.40 2wr5 n SER 158 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wr5 s ASN 159 N -1.32 3.11 -0.42 4.04 0.02 -1.03 -4.93 114.94 114.41 2wr5 s ASN 159 Ca 0.38 -0.99 0.05 0.00 -1.02 0.00 0.00 52.86 51.29 2wr5 s ASN 159 Cb 0.27 -0.22 0.17 0.00 0.02 0.00 0.00 41.25 41.48 2wr5 s ASN 159 CO 0.15 -0.03 0.49 -0.47 0.02 0.00 0.00 177.10 177.27 2wr5 s TYR 160 N -2.51 -0.65 0.96 2.20 5.04 -1.26 -1.32 117.35 119.81 2wr5 s TYR 160 Ca 0.24 -0.79 -0.11 0.00 -2.44 0.00 0.00 57.07 53.97 2wr5 s TYR 160 Cb -0.04 -0.19 0.17 0.00 0.35 0.00 0.00 41.96 42.25 2wr5 s TYR 160 CO 0.11 -1.05 1.10 -2.14 -1.34 0.00 0.00 175.55 172.22 2wr5 s PRO 161 N 1.18 0.67 -0.12 4.97 0.02 -1.26 -4.83 135.00 135.63 2wr5 s PRO 161 Ca 0.22 1.16 -0.32 0.00 0.02 0.00 0.00 61.00 62.08 2wr5 s PRO 161 Cb -0.07 -1.71 -0.10 0.00 0.02 0.00 0.00 34.50 32.64 2wr5 s PRO 161 CO -0.06 -2.75 2.01 0.28 -0.33 0.00 0.00 177.00 176.15 2wr5 n VAL 162 N -4.27 0.53 -2.66 3.83 0.31 -1.26 -4.83 118.33 109.98 2wr5 n VAL 162 Ca 0.08 -0.20 -0.43 0.00 -0.01 0.00 0.00 64.34 63.78 2wr5 n VAL 162 Cb 0.53 -2.08 -0.02 0.00 -0.91 0.00 0.00 33.84 31.36 2wr5 n VAL 162 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wr5 s ALA 163 N 5.38 3.52 -0.24 3.52 0.00 0.62 -4.92 121.76 129.64 2wr5 s ALA 163 Ca 0.96 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 53.20 2wr5 s ALA 163 Cb -0.59 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.17 2wr5 s ALA 163 CO 0.46 -0.80 0.35 0.21 0.00 0.00 0.00 175.76 175.99 2wr5 s LYS 164 N 2.52 0.32 0.01 0.00 2.20 -1.26 -0.22 119.74 123.31 2wr5 s LYS 164 Ca 0.47 0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 56.50 2wr5 s LYS 164 Cb -0.17 -0.59 -0.01 0.00 -1.51 0.00 0.00 37.83 35.55 2wr5 s LYS 164 CO 0.13 -0.65 0.09 1.03 -0.36 0.00 0.00 175.35 175.60 2wr5 s ARG 165 N 2.51 0.46 0.20 4.03 0.52 -0.93 -5.02 118.95 120.73 2wr5 s ARG 165 Ca 0.12 -0.51 0.04 0.00 -0.52 0.00 0.00 55.73 54.86 2wr5 s ARG 165 Cb -0.15 0.19 -0.05 0.00 0.52 0.00 0.00 34.95 35.45 2wr5 s ARG 165 CO -0.15 -0.11 -0.05 -1.54 0.02 0.00 0.00 175.30 173.47 2wr5 s SER 166 N -1.53 1.88 -0.11 0.23 1.04 -1.26 -0.85 113.70 113.10 2wr5 s SER 166 Ca -0.13 -1.13 -0.05 0.00 0.48 0.00 0.00 55.95 55.11 2wr5 s SER 166 Cb -0.07 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.09 2wr5 s SER 166 CO -0.00 -0.42 0.24 -0.47 0.98 0.00 0.00 173.24 173.57 2wr5 s TYR 167 N -3.35 -0.34 -0.28 5.02 5.04 -0.50 -4.96 117.35 117.98 2wr5 s TYR 167 Ca 0.24 0.81 -0.11 0.00 -2.44 0.00 0.00 57.07 55.57 2wr5 s TYR 167 Cb 0.04 0.01 -0.05 0.00 0.35 0.00 0.00 41.96 42.31 2wr5 s TYR 167 CO 0.06 -0.26 0.21 1.21 -1.34 0.00 0.00 175.55 175.43 2wr5 s ASN 168 N 1.56 6.05 -1.01 4.32 3.84 -1.26 -1.13 114.94 127.31 2wr5 s ASN 168 Ca -0.06 0.03 -0.24 0.00 0.21 0.00 0.00 52.86 52.80 2wr5 s ASN 168 Cb -0.11 -2.13 -0.06 0.00 -0.55 0.00 0.00 41.25 38.40 2wr5 s ASN 168 CO -0.08 -0.06 1.95 0.21 -2.79 0.00 0.00 177.10 176.32 2wr5 s ASN 169 N 1.72 5.09 -0.02 -4.21 3.84 0.67 -4.71 114.94 117.33 2wr5 s ASN 169 Ca 0.08 -1.05 0.14 0.00 0.21 0.00 0.00 52.86 52.24 2wr5 s ASN 169 Cb -0.16 -2.57 0.44 0.00 -0.55 0.00 0.00 41.25 38.41 2wr5 s ASN 169 CO 0.11 -2.89 1.35 0.35 -2.79 0.00 0.00 177.10 173.23 2wr5 n THR 170 N 7.86 0.77 1.67 -5.21 -2.24 -1.26 -0.28 114.28 115.59 2wr5 n THR 170 Ca 0.42 -0.67 0.15 0.00 -2.27 0.00 0.00 64.05 61.68 2wr5 n THR 170 Cb 0.47 0.25 0.80 0.00 -2.10 0.00 0.00 70.33 69.75 2wr5 n THR 170 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wr5 n SER 171 N 0.87 0.19 0.00 3.42 3.41 -1.26 -4.89 113.62 115.36 2wr5 n SER 171 Ca 0.16 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 2wr5 n SER 171 Cb 0.46 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2wr5 n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr5 n GLY 172 N 1.15 2.05 3.17 5.00 0.00 -1.26 -4.98 105.19 110.32 2wr5 n GLY 172 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2wr5 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr5 s GLU 173 N -0.13 0.87 0.25 1.61 2.02 -1.26 -5.05 118.70 117.01 2wr5 s GLU 173 Ca 0.00 -1.37 -0.30 0.00 0.02 0.00 0.00 54.97 53.32 2wr5 s GLU 173 Cb 0.00 -0.07 -0.10 0.00 0.10 0.00 0.00 34.13 34.06 2wr5 s GLU 173 CO 0.00 -0.10 1.46 -1.14 0.02 0.00 0.00 175.26 175.50 2wr5 s GLN 174 N -3.90 4.25 -0.08 1.61 0.74 -1.26 -4.60 119.66 116.42 2wr5 s GLN 174 Ca 0.15 2.33 0.04 0.00 0.05 0.00 0.00 55.36 57.93 2wr5 s GLN 174 Cb 0.06 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 31.07 2wr5 s GLN 174 CO -0.03 -0.45 -0.21 1.41 -0.55 0.00 0.00 175.29 175.46 2wr5 s MET 175 N -0.29 2.64 -0.12 1.67 -2.45 -0.42 -0.95 119.30 119.37 2wr5 s MET 175 Ca 0.60 -0.78 -0.22 0.00 -1.25 0.00 0.00 55.69 54.04 2wr5 s MET 175 Cb -0.42 -2.06 -0.03 0.00 1.25 0.00 0.00 34.83 33.56 2wr5 s MET 175 CO 0.43 0.18 0.67 -1.17 1.05 0.00 0.00 175.02 176.19 2wr5 s LEU 176 N 0.31 4.24 -0.02 4.11 2.96 -0.33 0.12 118.68 130.07 2wr5 s LEU 176 Ca -0.15 1.05 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 2wr5 s LEU 176 Cb -0.17 -3.01 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 2wr5 s LEU 176 CO 0.07 -0.19 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.12 2wr5 s ILE 177 N 1.28 1.33 -0.07 6.68 1.01 -0.31 -1.26 121.20 129.86 2wr5 s ILE 177 Ca 0.34 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2wr5 s ILE 177 Cb -0.17 -1.11 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 2wr5 s ILE 177 CO 0.14 0.38 -0.21 -0.63 0.00 0.00 0.00 174.94 174.62 2wr5 s ILE 178 N -0.32 1.76 0.35 2.92 1.01 -1.26 -1.43 121.20 124.22 2wr5 s ILE 178 Ca 0.05 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.87 2wr5 s ILE 178 Cb -0.07 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2wr5 s ILE 178 CO -0.00 0.49 0.15 -1.66 0.00 0.00 0.00 174.94 173.92 2wr5 s TRP 179 N 0.18 1.72 0.05 3.97 -2.14 -0.37 -3.95 118.94 118.41 2wr5 s TRP 179 Ca -0.10 -1.34 -0.16 0.00 2.66 0.00 0.00 56.10 57.16 2wr5 s TRP 179 Cb -0.15 -1.00 0.03 0.00 -3.10 0.00 0.00 33.47 29.25 2wr5 s TRP 179 CO 0.05 -0.43 0.37 0.20 -2.66 0.00 0.00 176.95 174.48 2wr5 s GLY 180 N -3.48 -0.22 -0.05 3.67 0.00 -0.17 -0.65 107.32 106.42 2wr5 s GLY 180 Ca 0.31 0.14 0.04 0.00 0.00 0.00 0.00 44.72 45.22 2wr5 s GLY 180 CO 0.17 -0.10 -0.16 -1.50 0.00 0.00 0.00 173.10 171.51 2wr5 s ILE 181 N -2.70 1.39 -0.19 0.90 2.07 -0.52 0.17 121.20 122.33 2wr5 s ILE 181 Ca -0.04 -0.69 -0.17 0.00 -1.41 0.00 0.00 60.65 58.35 2wr5 s ILE 181 Cb -0.00 -1.20 -0.04 0.00 0.13 0.00 0.00 42.46 41.35 2wr5 s ILE 181 CO -0.04 0.40 0.44 -2.28 -1.91 0.00 0.00 174.94 171.55 2wr5 s HIS 182 N 0.12 3.40 -0.48 3.50 5.65 0.42 -1.91 115.29 125.99 2wr5 s HIS 182 Ca -0.05 0.70 -0.11 0.00 0.25 0.00 0.00 55.06 55.85 2wr5 s HIS 182 Cb -0.12 -2.56 0.11 0.00 -1.18 0.00 0.00 32.58 28.84 2wr5 s HIS 182 CO 0.02 0.01 0.36 0.71 -0.65 0.00 0.00 174.74 175.19 2wr5 s TYR 183 N 1.25 3.38 0.93 3.88 2.02 0.63 -4.81 117.35 124.62 2wr5 s TYR 183 Ca 0.21 -1.69 -0.12 0.00 -0.37 0.00 0.00 57.07 55.11 2wr5 s TYR 183 Cb -0.15 -3.47 0.15 0.00 -0.40 0.00 0.00 41.96 38.09 2wr5 s TYR 183 CO 0.09 -0.97 1.09 -2.14 -1.57 0.00 0.00 175.55 172.04 2wr5 s PRO 184 N 1.42 1.00 0.06 -1.71 0.02 -1.26 -0.28 135.00 134.25 2wr5 s PRO 184 Ca 0.05 0.85 0.06 0.00 0.02 0.00 0.00 61.00 61.98 2wr5 s PRO 184 Cb -0.26 -1.78 -0.23 0.00 0.02 0.00 0.00 34.50 32.25 2wr5 s PRO 184 CO 0.01 -2.43 1.05 -0.97 -0.33 0.00 0.00 177.00 174.32 2wr5 h ASN 185 N -1.69 0.08 -5.04 2.53 -1.24 -1.83 -3.28 115.58 105.12 2wr5 h ASN 185 Ca -0.50 -0.11 0.08 0.00 0.71 0.00 0.00 56.30 56.47 2wr5 h ASN 185 Cb 1.29 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 40.25 2wr5 h ASN 185 CO 0.53 1.09 0.27 1.51 -1.29 0.00 0.00 177.43 179.54 2wr5 s ASP 186 N -6.62 -0.29 0.53 1.15 3.84 -1.26 -4.01 116.67 110.02 2wr5 s ASP 186 Ca -0.02 -0.50 0.19 0.00 -0.00 0.00 0.00 52.55 52.22 2wr5 s ASP 186 Cb 0.09 0.67 1.35 0.00 -1.38 0.00 0.00 42.92 43.66 2wr5 s ASP 186 CO 0.83 -1.23 2.14 0.44 -0.00 0.00 0.00 175.17 177.35 2wr5 h ASP 187 N 2.00 0.00 0.06 2.11 3.32 -1.96 -2.56 116.42 119.39 2wr5 h ASP 187 Ca -0.22 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.55 2wr5 h ASP 187 Cb 1.25 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.83 2wr5 h ASP 187 CO 0.25 0.00 -1.15 0.71 -1.72 0.00 0.00 179.24 177.33 2wr5 h THR 188 N 0.00 1.28 -0.82 0.35 1.35 -2.00 -2.90 112.91 110.17 2wr5 h THR 188 Ca 0.03 -2.35 0.12 0.00 -0.55 0.00 0.00 66.41 63.65 2wr5 h THR 188 Cb 0.13 2.54 -0.06 0.00 -1.73 0.00 0.00 68.15 69.03 2wr5 h THR 188 CO -0.00 0.72 0.53 -0.08 -0.25 0.00 0.00 175.52 176.45 2wr5 h GLU 189 N 0.33 0.67 -0.53 4.72 4.81 -1.88 -0.74 114.58 121.97 2wr5 h GLU 189 Ca -0.16 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 2wr5 h GLU 189 Cb 1.81 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 31.02 2wr5 h GLU 189 CO 0.22 0.44 0.00 0.37 -0.73 0.00 0.00 179.01 179.32 2wr5 h GLN 190 N 0.69 0.94 -0.04 1.92 5.75 -1.50 -2.61 115.11 120.25 2wr5 h GLN 190 Ca 0.39 -0.30 -0.13 0.00 -0.15 0.00 0.00 58.65 58.46 2wr5 h GLN 190 Cb 0.57 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 29.04 2wr5 h GLN 190 CO -0.16 0.95 -0.50 0.00 -2.65 0.00 0.00 178.83 176.48 2wr5 h ARG 191 N 0.81 0.41 0.00 1.69 3.08 -1.11 0.34 114.38 119.61 2wr5 h ARG 191 Ca 0.15 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 2wr5 h ARG 191 Cb 0.53 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 2wr5 h ARG 191 CO 0.03 1.04 -0.12 0.00 -1.07 0.00 0.00 179.97 179.85 2wr5 h THR 192 N -0.07 0.85 0.09 2.04 1.03 -1.23 0.29 112.91 115.90 2wr5 h THR 192 Ca -0.05 -0.45 -0.34 0.00 -0.01 0.00 0.00 66.41 65.56 2wr5 h THR 192 Cb 1.18 1.26 -0.02 0.00 -1.07 0.00 0.00 68.15 69.50 2wr5 h THR 192 CO 0.10 0.12 -1.88 0.18 -0.01 0.00 0.00 175.52 174.02 2wr5 n LEU 193 N -4.05 2.48 0.00 0.00 4.32 -0.98 -4.77 117.00 114.00 2wr5 n LEU 193 Ca -0.02 0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.21 2wr5 n LEU 193 Cb 0.20 -1.07 0.00 0.00 -1.62 0.00 0.00 43.42 40.93 2wr5 n LEU 193 CO 0.33 0.74 -0.07 -1.22 -1.22 0.00 0.00 177.39 175.94 2wr5 n TYR 194 N -3.69 0.00 0.00 -1.77 4.02 0.12 -1.13 117.16 114.71 2wr5 n TYR 194 Ca -0.33 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 2wr5 n TYR 194 Cb 0.97 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.29 2wr5 n TYR 194 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2wr5 n GLN 195 N -0.91 0.00 -1.64 -0.72 1.13 0.08 -4.62 117.38 110.70 2wr5 n GLN 195 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 2wr5 n GLN 195 Cb 0.00 0.00 0.12 0.00 0.11 0.00 0.00 30.24 30.47 2wr5 n GLN 195 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2wr5 s ASN 196 N 0.00 3.92 -0.07 1.08 0.02 -1.26 -4.73 114.94 113.91 2wr5 s ASN 196 Ca 0.00 0.96 -0.11 0.00 -1.02 0.00 0.00 52.86 52.70 2wr5 s ASN 196 Cb 0.00 -1.54 -0.04 0.00 0.02 0.00 0.00 41.25 39.69 2wr5 s ASN 196 CO 0.00 -2.29 -0.21 0.52 0.02 0.00 0.00 177.10 175.14 2wr5 n VAL 197 N -3.59 1.35 -2.76 1.60 0.31 -1.26 -4.76 118.33 109.22 2wr5 n VAL 197 Ca 0.07 0.25 -0.42 0.00 -0.01 0.00 0.00 64.34 64.23 2wr5 n VAL 197 Cb 0.59 -2.02 0.01 0.00 -0.91 0.00 0.00 33.84 31.51 2wr5 n VAL 197 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr5 n GLY 198 N 2.26 5.59 3.77 2.92 0.00 -1.26 -5.02 105.19 113.45 2wr5 n GLY 198 Ca -0.08 -2.57 -0.29 0.00 0.00 0.00 0.00 46.02 43.08 2wr5 n GLY 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wr5 s THR 199 N -3.23 1.99 0.15 2.61 -4.23 -1.26 -5.06 115.64 106.60 2wr5 s THR 199 Ca 0.36 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.73 2wr5 s THR 199 Cb 0.12 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 71.26 2wr5 s THR 199 CO -0.01 0.00 0.38 -0.72 -0.54 0.00 0.00 174.62 173.73 2wr5 s TYR 200 N -3.25 0.00 -0.10 3.99 -0.85 -1.26 -4.42 117.35 111.47 2wr5 s TYR 200 Ca 0.64 -0.35 0.01 0.00 -0.52 0.00 0.00 57.07 56.85 2wr5 s TYR 200 Cb -0.15 0.18 0.02 0.00 0.38 0.00 0.00 41.96 42.39 2wr5 s TYR 200 CO 0.54 -0.74 -0.10 0.08 -1.52 0.00 0.00 175.55 173.81 2wr5 s VAL 201 N -3.87 1.10 -0.12 -3.49 1.01 0.18 -2.40 120.40 112.82 2wr5 s VAL 201 Ca 0.08 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2wr5 s VAL 201 Cb 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.33 2wr5 s VAL 201 CO -0.07 0.37 -0.21 -0.55 0.00 0.00 0.00 175.10 174.64 2wr5 s SER 202 N 1.30 3.28 -0.04 3.32 0.15 0.13 0.61 113.70 122.45 2wr5 s SER 202 Ca -0.02 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.11 2wr5 s SER 202 Cb -0.14 -1.46 0.02 0.00 -1.71 0.00 0.00 66.02 62.73 2wr5 s SER 202 CO -0.04 0.13 -0.04 -0.69 1.20 0.00 0.00 173.24 173.81 2wr5 s VAL 203 N 0.51 0.46 -0.01 4.45 1.01 -0.01 -1.14 120.40 125.66 2wr5 s VAL 203 Ca -0.14 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2wr5 s VAL 203 Cb -0.17 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.72 2wr5 s VAL 203 CO 0.05 0.21 0.15 -0.83 0.00 0.00 0.00 175.10 174.68 2wr5 s GLY 204 N 0.91 0.00 0.00 4.51 0.00 -0.79 -1.03 107.32 110.92 2wr5 s GLY 204 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.61 2wr5 s GLY 204 CO -0.00 -0.12 0.00 -1.30 0.00 0.00 0.00 173.10 171.68 2wr5 n THR 205 N 1.73 0.00 -0.17 0.90 -2.24 0.46 -0.94 114.28 114.02 2wr5 n THR 205 Ca -0.21 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.56 2wr5 n THR 205 Cb 0.56 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.87 2wr5 n THR 205 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wr5 h SER 206 N 0.00 -0.11 0.00 3.42 0.02 -1.99 -3.33 113.55 111.56 2wr5 h SER 206 Ca 0.00 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2wr5 h SER 206 Cb 0.00 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2wr5 h SER 206 CO 0.00 -0.03 -1.27 0.35 -1.14 0.00 0.00 176.83 174.74 2wr5 n THR 207 N -5.18 0.03 -3.62 -2.27 -2.24 -1.26 -5.01 114.28 94.74 2wr5 n THR 207 Ca 0.07 -0.14 -0.33 0.00 -2.27 0.00 0.00 64.05 61.38 2wr5 n THR 207 Cb 0.29 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.73 2wr5 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr5 s LEU 208 N -3.48 4.31 -0.41 3.22 2.96 -1.25 -5.06 118.68 118.98 2wr5 s LEU 208 Ca -0.02 0.71 0.04 0.00 -0.22 0.00 0.00 54.13 54.64 2wr5 s LEU 208 Cb 0.03 -3.10 0.18 0.00 0.50 0.00 0.00 46.19 43.81 2wr5 s LEU 208 CO 0.23 0.13 0.73 0.21 -1.32 0.00 0.00 176.35 176.33 2wr5 s ASN 209 N -2.01 -1.27 -0.03 3.68 2.47 -1.26 -0.40 114.94 116.13 2wr5 s ASN 209 Ca 0.36 -0.77 0.03 0.00 0.42 0.00 0.00 52.86 52.90 2wr5 s ASN 209 Cb -0.13 1.63 0.00 0.00 -1.45 0.00 0.00 41.25 41.31 2wr5 s ASN 209 CO 0.20 -0.13 -0.10 -0.75 -3.72 0.00 0.00 177.10 172.60 2wr5 s LYS 210 N 1.73 1.09 -0.10 0.43 2.20 -0.20 -5.03 119.74 119.86 2wr5 s LYS 210 Ca 0.18 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.46 2wr5 s LYS 210 Cb -0.02 -1.00 0.01 0.00 -1.51 0.00 0.00 37.83 35.31 2wr5 s LYS 210 CO -0.08 0.13 -0.17 0.50 -0.36 0.00 0.00 175.35 175.37 2wr5 s ARG 211 N 0.17 2.39 -0.12 4.03 3.52 -1.26 -0.83 118.95 126.84 2wr5 s ARG 211 Ca -0.03 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 54.95 2wr5 s ARG 211 Cb -0.09 -1.96 0.01 0.00 -1.56 0.00 0.00 34.95 31.36 2wr5 s ARG 211 CO 0.01 -0.00 -0.17 -1.12 -0.81 0.00 0.00 175.30 173.21 2wr5 s SER 212 N 0.80 2.65 -0.13 -2.12 0.01 0.20 -4.95 113.70 110.17 2wr5 s SER 212 Ca -0.10 -0.48 -0.06 0.00 1.31 0.00 0.00 55.95 56.61 2wr5 s SER 212 Cb -0.16 -1.20 -0.04 0.00 0.21 0.00 0.00 66.02 64.84 2wr5 s SER 212 CO 0.01 0.02 0.09 0.27 0.41 0.00 0.00 173.24 174.05 2wr5 s ILE 213 N 1.00 5.08 0.43 1.44 -0.00 -1.26 0.51 121.20 128.41 2wr5 s ILE 213 Ca -0.05 0.05 -0.23 0.00 -0.00 0.00 0.00 60.65 60.42 2wr5 s ILE 213 Cb -0.15 -3.22 -0.08 0.00 -0.00 0.00 0.00 42.46 39.01 2wr5 s ILE 213 CO -0.03 0.57 1.11 -2.84 -0.00 0.00 0.00 174.94 173.75 2wr5 s PRO 214 N -0.61 3.94 -0.34 0.37 0.02 -1.26 -5.02 135.00 132.09 2wr5 s PRO 214 Ca 0.12 1.64 -0.07 0.00 0.02 0.00 0.00 61.00 62.71 2wr5 s PRO 214 Cb -0.12 -2.45 0.04 0.00 0.02 0.00 0.00 34.50 31.99 2wr5 s PRO 214 CO 0.02 -0.37 0.12 -1.21 -0.33 0.00 0.00 177.00 175.23 2wr5 s GLU 215 N -2.64 2.66 -0.20 5.54 2.02 -1.26 -5.01 118.70 119.81 2wr5 s GLU 215 Ca 0.61 -1.16 -0.28 0.00 0.02 0.00 0.00 54.97 54.17 2wr5 s GLU 215 Cb -0.25 -3.49 -0.00 0.00 0.10 0.00 0.00 34.13 30.48 2wr5 s GLU 215 CO 0.31 -0.67 0.96 0.42 0.02 0.00 0.00 175.26 176.30 2wr5 s ILE 216 N 1.42 4.77 0.07 -1.63 1.09 -1.26 -4.45 121.20 121.20 2wr5 s ILE 216 Ca -0.01 1.88 -0.21 0.00 -1.10 0.00 0.00 60.65 61.20 2wr5 s ILE 216 Cb -0.19 -4.24 0.05 0.00 -1.06 0.00 0.00 42.46 37.01 2wr5 s ILE 216 CO 0.03 -0.08 0.51 0.00 -0.10 0.00 0.00 174.94 175.30 2wr5 s ALA 217 N 2.69 -1.29 -0.08 9.38 0.00 -1.24 -5.00 121.76 126.23 2wr5 s ALA 217 Ca 0.42 0.50 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 2wr5 s ALA 217 Cb -0.16 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 2wr5 s ALA 217 CO 0.10 -0.54 0.99 0.99 0.00 0.00 0.00 175.76 177.30 2wr5 s THR 218 N -2.73 4.81 0.08 0.00 2.01 -1.26 -4.55 115.64 114.00 2wr5 s THR 218 Ca -0.04 2.03 0.03 0.00 0.31 0.00 0.00 61.69 64.02 2wr5 s THR 218 Cb -0.00 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 2wr5 s THR 218 CO -0.04 0.05 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.72 2wr5 s ARG 219 N 1.74 0.75 0.65 4.92 0.52 -1.26 -5.14 118.95 121.14 2wr5 s ARG 219 Ca 0.49 -1.10 -0.17 0.00 -0.52 0.00 0.00 55.73 54.43 2wr5 s ARG 219 Cb -0.19 -0.37 -0.05 0.00 0.52 0.00 0.00 34.95 34.86 2wr5 s ARG 219 CO 0.20 0.04 0.66 -2.30 0.02 0.00 0.00 175.30 173.93 2wr5 n PRO 220 N 0.64 0.51 -3.11 3.54 -0.02 -1.26 -4.73 135.00 130.56 2wr5 n PRO 220 Ca -0.17 0.21 -0.39 0.00 -2.02 0.00 0.00 63.50 61.13 2wr5 n PRO 220 Cb 0.58 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 32.10 2wr5 n PRO 220 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wr5 s LYS 221 N -2.61 4.39 -0.06 -0.52 1.02 -1.26 -4.55 119.74 116.14 2wr5 s LYS 221 Ca 0.70 0.90 0.02 0.00 0.02 0.00 0.00 55.97 57.62 2wr5 s LYS 221 Cb -0.39 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.61 2wr5 s LYS 221 CO 0.53 0.42 -0.13 0.08 -0.92 0.00 0.00 175.35 175.34 2wr5 s VAL 222 N -0.47 1.16 -1.24 3.17 1.01 -0.21 -4.61 120.40 119.20 2wr5 s VAL 222 Ca 0.34 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 2wr5 s VAL 222 Cb -0.20 -1.05 0.07 0.00 0.00 0.00 0.00 36.38 35.20 2wr5 s VAL 222 CO 0.21 0.36 0.45 0.59 0.00 0.00 0.00 175.10 176.71 2wr5 n ASN 223 N 3.75 -3.52 0.00 3.32 3.02 -1.26 -0.71 115.26 119.85 2wr5 n ASN 223 Ca -0.22 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 2wr5 n ASN 223 Cb 0.52 -2.93 0.00 0.00 -0.61 0.00 0.00 39.78 36.76 2wr5 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr5 n GLY 224 N -1.12 0.43 3.47 7.41 0.00 -1.26 -4.69 105.19 109.43 2wr5 n GLY 224 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2wr5 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr5 s GLN 225 N -0.57 3.25 0.03 1.61 -1.52 0.11 -4.99 119.66 117.59 2wr5 s GLN 225 Ca 0.00 -0.60 0.01 0.00 -1.95 0.00 0.00 55.36 52.81 2wr5 s GLN 225 Cb 0.00 -2.69 -0.26 0.00 -0.22 0.00 0.00 33.01 29.85 2wr5 s GLN 225 CO 0.00 0.36 0.96 0.78 -0.25 0.00 0.00 175.29 177.14 2wr5 h GLY 226 N 6.25 0.20 -0.99 3.09 0.00 -1.85 -0.54 103.07 109.23 2wr5 h GLY 226 Ca -0.34 -0.50 -0.44 0.00 0.00 0.00 0.00 47.33 46.05 2wr5 h GLY 226 CO 0.57 0.44 0.07 -0.32 0.00 0.00 0.00 176.54 177.29 2wr5 s GLY 227 N -4.88 1.54 0.02 4.60 0.00 -1.26 -4.51 107.32 102.83 2wr5 s GLY 227 Ca -0.06 -0.32 -0.06 0.00 0.00 0.00 0.00 44.72 44.28 2wr5 s GLY 227 CO 0.85 0.40 0.12 0.50 0.00 0.00 0.00 173.10 174.97 2wr5 s ARG 228 N -4.71 0.54 -0.11 2.90 1.81 0.62 -4.67 118.95 115.33 2wr5 s ARG 228 Ca 0.68 -0.58 0.02 0.00 -1.72 0.00 0.00 55.73 54.13 2wr5 s ARG 228 Cb -0.22 0.22 0.01 0.00 -0.45 0.00 0.00 34.95 34.51 2wr5 s ARG 228 CO 0.62 -0.13 -0.18 -1.64 -0.68 0.00 0.00 175.30 173.28 2wr5 s MET 229 N -1.99 2.52 -0.26 3.54 -1.94 0.67 -0.27 119.30 121.58 2wr5 s MET 229 Ca -0.10 -0.68 -0.09 0.00 -1.71 0.00 0.00 55.69 53.12 2wr5 s MET 229 Cb -0.05 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 2wr5 s MET 229 CO -0.02 -0.01 0.12 -2.00 -0.01 0.00 0.00 175.02 173.10 2wr5 s GLU 230 N 0.83 3.80 0.01 2.03 2.12 -0.80 -2.16 118.70 124.52 2wr5 s GLU 230 Ca -0.09 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.84 2wr5 s GLU 230 Cb -0.16 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 2wr5 s GLU 230 CO 0.00 -0.15 0.08 -0.06 -0.54 0.00 0.00 175.26 174.60 2wr5 s PHE 231 N 1.57 3.28 0.17 5.30 0.40 -0.96 -1.43 117.98 126.30 2wr5 s PHE 231 Ca 0.06 0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.60 2wr5 s PHE 231 Cb -0.15 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.61 2wr5 s PHE 231 CO 0.06 0.55 -0.02 -1.12 0.70 0.00 0.00 175.22 175.39 2wr5 s SER 232 N -1.86 1.34 0.13 1.36 0.01 0.17 -1.17 113.70 113.69 2wr5 s SER 232 Ca 0.24 -1.15 -0.07 0.00 1.31 0.00 0.00 55.95 56.29 2wr5 s SER 232 Cb -0.12 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 2wr5 s SER 232 CO 0.16 -0.53 0.20 -1.66 0.41 0.00 0.00 173.24 171.81 2wr5 s TRP 233 N -3.59 0.45 0.12 2.43 1.48 -1.26 -1.23 118.94 117.34 2wr5 s TRP 233 Ca 0.23 -0.84 -0.19 0.00 -1.06 0.00 0.00 56.10 54.23 2wr5 s TRP 233 Cb 0.06 -0.17 0.05 0.00 -1.16 0.00 0.00 33.47 32.24 2wr5 s TRP 233 CO 0.03 -0.62 0.47 -0.08 -4.06 0.00 0.00 176.95 172.69 2wr5 s THR 234 N -3.96 0.05 -0.33 0.66 -1.32 -0.51 -4.99 115.64 105.23 2wr5 s THR 234 Ca 0.16 -0.38 -0.12 0.00 -1.21 0.00 0.00 61.69 60.13 2wr5 s THR 234 Cb 0.05 -1.09 -0.02 0.00 -1.51 0.00 0.00 72.50 69.93 2wr5 s THR 234 CO -0.02 -0.21 0.23 -0.76 -2.21 0.00 0.00 174.62 171.64 2wr5 s LEU 235 N -2.64 4.45 -0.35 9.08 1.43 -1.26 -1.16 118.68 128.22 2wr5 s LEU 235 Ca 0.01 -0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 52.44 2wr5 s LEU 235 Cb 0.01 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 44.12 2wr5 s LEU 235 CO -0.10 -0.22 0.84 -0.22 0.23 0.00 0.00 176.35 176.87 2wr5 s LEU 236 N 1.71 4.07 0.89 1.79 2.96 0.31 -4.87 118.68 125.54 2wr5 s LEU 236 Ca 0.06 0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 54.36 2wr5 s LEU 236 Cb -0.17 -3.13 0.13 0.00 0.50 0.00 0.00 46.19 43.51 2wr5 s LEU 236 CO 0.10 -0.76 1.15 -0.70 -1.32 0.00 0.00 176.35 174.83 2wr5 s GLU 237 N 3.22 1.30 0.31 1.98 2.56 -1.26 -1.30 118.70 125.51 2wr5 s GLU 237 Ca 0.34 0.21 -0.29 0.00 0.00 0.00 0.00 54.97 55.24 2wr5 s GLU 237 Cb -0.13 -1.86 -0.10 0.00 2.00 0.00 0.00 34.13 34.04 2wr5 s GLU 237 CO 0.17 -2.07 1.28 0.95 -0.56 0.00 0.00 175.26 175.02 2wr5 s THR 238 N -3.37 2.86 -1.05 -1.70 -4.23 -1.26 -2.40 115.64 104.48 2wr5 s THR 238 Ca 0.64 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 62.00 2wr5 s THR 238 Cb -0.13 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2wr5 s THR 238 CO 0.52 0.20 0.00 0.79 -0.54 0.00 0.00 174.62 175.59 2wr5 n TRP 239 N 1.02 0.00 -3.21 3.99 7.02 0.62 -4.98 117.44 121.91 2wr5 n TRP 239 Ca 0.00 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.29 2wr5 n TRP 239 Cb 0.42 -2.49 0.01 0.00 -2.42 0.00 0.00 31.31 26.82 2wr5 n TRP 239 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2wr5 s ASP 240 N -2.44 5.83 0.07 -0.99 3.68 -1.01 -4.83 116.67 116.98 2wr5 s ASP 240 Ca 0.00 -0.08 0.06 0.00 2.13 0.00 0.00 52.55 54.65 2wr5 s ASP 240 Cb 0.00 -1.19 -0.03 0.00 -1.45 0.00 0.00 42.92 40.25 2wr5 s ASP 240 CO 0.00 -0.61 -0.15 0.54 0.13 0.00 0.00 175.17 175.07 2wr5 s VAL 241 N -2.35 1.23 -0.11 1.11 0.11 -1.26 -0.23 120.40 118.89 2wr5 s VAL 241 Ca 0.48 -1.32 0.01 0.00 -2.93 0.00 0.00 61.98 58.23 2wr5 s VAL 241 Cb -0.10 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.58 2wr5 s VAL 241 CO 0.34 -0.17 -0.14 -0.51 -3.33 0.00 0.00 175.10 171.29 2wr5 s ILE 242 N -1.21 2.99 -0.22 7.04 2.07 -0.28 -4.29 121.20 127.30 2wr5 s ILE 242 Ca -0.00 -0.70 -0.01 0.00 -1.41 0.00 0.00 60.65 58.53 2wr5 s ILE 242 Cb -0.10 -2.23 0.02 0.00 0.13 0.00 0.00 42.46 40.29 2wr5 s ILE 242 CO 0.03 0.54 -0.11 0.20 -1.91 0.00 0.00 174.94 173.69 2wr5 s ASN 243 N 0.07 3.92 -0.12 4.50 0.01 -0.12 -1.41 114.94 121.79 2wr5 s ASN 243 Ca -0.06 -0.76 -0.09 0.00 -0.71 0.00 0.00 52.86 51.24 2wr5 s ASN 243 Cb -0.15 -1.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.86 2wr5 s ASN 243 CO 0.05 -0.07 0.19 -0.36 -1.51 0.00 0.00 177.10 175.39 2wr5 s PHE 244 N 1.32 3.57 -0.08 2.20 0.40 -0.03 -1.88 117.98 123.48 2wr5 s PHE 244 Ca 0.02 0.56 -0.04 0.00 -0.60 0.00 0.00 56.93 56.87 2wr5 s PHE 244 Cb -0.15 -2.07 0.03 0.00 0.51 0.00 0.00 43.02 41.34 2wr5 s PHE 244 CO -0.07 0.59 0.18 -2.00 0.70 0.00 0.00 175.22 174.62 2wr5 s GLU 245 N -0.63 0.16 -0.20 0.44 2.12 -0.29 -2.18 118.70 118.11 2wr5 s GLU 245 Ca 0.15 0.37 -0.22 0.00 0.36 0.00 0.00 54.97 55.63 2wr5 s GLU 245 Cb -0.13 -0.08 0.06 0.00 0.26 0.00 0.00 34.13 34.25 2wr5 s GLU 245 CO 0.04 -0.12 0.61 0.45 -0.54 0.00 0.00 175.26 175.70 2wr5 s SER 246 N 0.86 -0.63 0.00 -1.70 0.15 0.69 0.18 113.70 113.25 2wr5 s SER 246 Ca -0.06 1.14 0.19 0.00 0.70 0.00 0.00 55.95 57.91 2wr5 s SER 246 Cb -0.08 1.14 0.44 0.00 -1.71 0.00 0.00 66.02 65.81 2wr5 s SER 246 CO -0.05 -0.27 1.36 0.35 1.20 0.00 0.00 173.24 175.83 2wr5 n THR 247 N 2.47 0.75 0.00 6.45 -2.24 -1.01 -0.28 114.28 120.42 2wr5 n THR 247 Ca -0.15 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 2wr5 n THR 247 Cb 0.56 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 2wr5 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr5 n GLY 248 N 1.22 3.83 2.51 3.38 0.00 -1.26 -4.78 105.19 110.10 2wr5 n GLY 248 Ca 0.18 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2wr5 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr5 n ASN 249 N 0.00 -1.03 -4.71 1.61 3.02 -1.26 -4.34 115.26 108.55 2wr5 n ASN 249 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2wr5 n ASN 249 Cb 0.00 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 2wr5 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr5 s LEU 250 N 0.00 4.37 -0.47 3.41 2.96 -1.26 -0.44 118.68 127.25 2wr5 s LEU 250 Ca 0.00 1.61 -0.11 0.00 -0.22 0.00 0.00 54.13 55.41 2wr5 s LEU 250 Cb 0.00 -3.51 0.11 0.00 0.50 0.00 0.00 46.19 43.29 2wr5 s LEU 250 CO 0.00 -0.23 0.36 -0.63 -1.32 0.00 0.00 176.35 174.53 2wr5 s ILE 251 N 0.94 4.49 0.47 6.68 -1.09 0.46 -3.65 121.20 129.49 2wr5 s ILE 251 Ca 0.50 -1.60 -0.17 0.00 -2.23 0.00 0.00 60.65 57.15 2wr5 s ILE 251 Cb -0.21 -3.88 -0.09 0.00 -1.58 0.00 0.00 42.46 36.71 2wr5 s ILE 251 CO 0.27 -0.73 0.94 0.00 -1.23 0.00 0.00 174.94 174.19 2wr5 s ALA 252 N 1.44 3.11 0.48 9.38 0.00 -0.08 -1.00 121.76 135.09 2wr5 s ALA 252 Ca 0.05 0.18 -0.19 0.00 0.00 0.00 0.00 51.96 52.00 2wr5 s ALA 252 Cb -0.26 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 2wr5 s ALA 252 CO 0.01 -0.09 0.99 -2.14 0.00 0.00 0.00 175.76 174.53 2wr5 s PRO 253 N -3.76 3.98 -0.08 0.00 0.02 -1.25 -0.49 135.00 133.41 2wr5 s PRO 253 Ca 0.58 1.10 0.11 0.00 0.02 0.00 0.00 61.00 62.81 2wr5 s PRO 253 Cb -0.10 -2.14 -0.15 0.00 0.02 0.00 0.00 34.50 32.13 2wr5 s PRO 253 CO 0.26 -0.25 0.11 -1.91 -0.33 0.00 0.00 177.00 174.88 2wr5 n GLU 254 N -1.17 1.62 -4.35 5.54 2.13 -0.46 -4.58 120.64 119.38 2wr5 n GLU 254 Ca 0.07 -0.04 -0.25 0.00 0.66 0.00 0.00 57.16 57.61 2wr5 n GLU 254 Cb 0.54 -1.29 -0.12 0.00 0.27 0.00 0.00 31.44 30.84 2wr5 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr5 s TYR 255 N -2.45 2.03 0.40 4.31 1.51 -1.24 -0.94 117.35 120.97 2wr5 s TYR 255 Ca -0.05 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.64 2wr5 s TYR 255 Cb 0.05 -1.05 -0.06 0.00 -0.11 0.00 0.00 41.96 40.79 2wr5 s TYR 255 CO 0.48 0.34 0.04 0.20 -1.11 0.00 0.00 175.55 175.50 2wr5 s GLY 256 N -2.34 2.46 -0.26 0.71 0.00 -0.31 -4.69 107.32 102.89 2wr5 s GLY 256 Ca 0.14 -1.75 0.02 0.00 0.00 0.00 0.00 44.72 43.12 2wr5 s GLY 256 CO 0.07 -1.98 -0.04 -1.36 0.00 0.00 0.00 173.10 169.78 2wr5 s PHE 257 N -3.01 2.75 -0.01 1.90 0.40 -0.39 -1.29 117.98 118.33 2wr5 s PHE 257 Ca 0.29 -2.07 -0.30 0.00 -0.60 0.00 0.00 56.93 54.25 2wr5 s PHE 257 Cb 0.07 -1.86 -0.09 0.00 0.51 0.00 0.00 43.02 41.66 2wr5 s PHE 257 CO 0.14 -0.83 2.00 1.63 0.70 0.00 0.00 175.22 178.86 2wr5 n LYS 258 N 4.57 2.69 -4.54 0.44 5.02 -0.31 -1.19 118.16 124.85 2wr5 n LYS 258 Ca -0.10 0.97 -0.24 0.00 -2.02 0.00 0.00 58.31 56.92 2wr5 n LYS 258 Cb 0.43 -3.00 -0.14 0.00 -0.02 0.00 0.00 35.03 32.30 2wr5 n LYS 258 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2wr5 s ILE 259 N 4.90 1.54 -0.02 -0.18 2.07 -0.13 -1.54 121.20 127.85 2wr5 s ILE 259 Ca 0.91 -1.19 0.02 0.00 -1.41 0.00 0.00 60.65 58.98 2wr5 s ILE 259 Cb -0.45 -1.36 0.00 0.00 0.13 0.00 0.00 42.46 40.79 2wr5 s ILE 259 CO 0.42 0.13 -0.07 -0.44 -1.91 0.00 0.00 174.94 173.08 2wr5 s SER 260 N -1.24 0.92 -0.09 4.50 0.01 -0.85 -3.98 113.70 112.97 2wr5 s SER 260 Ca 0.06 -0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.19 2wr5 s SER 260 Cb -0.09 -0.23 0.02 0.00 0.21 0.00 0.00 66.02 65.93 2wr5 s SER 260 CO 0.02 0.04 -0.09 -0.54 0.41 0.00 0.00 173.24 173.08 2wr5 s LYS 261 N 0.19 1.60 0.00 12.44 1.02 -1.26 0.54 119.74 134.27 2wr5 s LYS 261 Ca -0.02 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 55.65 2wr5 s LYS 261 Cb -0.07 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.72 2wr5 s LYS 261 CO -0.00 -0.15 0.28 2.89 -0.92 0.00 0.00 175.35 177.45 2wr5 n ARG 262 N 4.48 0.00 0.00 1.68 -4.01 -1.26 -5.00 116.66 112.55 2wr5 n ARG 262 Ca -0.17 0.17 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2wr5 n ARG 262 Cb 0.51 -0.88 0.00 0.00 -3.04 0.00 0.00 32.46 29.05 2wr5 n ARG 262 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2wr5 n GLY 263 N 1.10 5.94 3.55 2.89 0.00 -1.26 -5.16 105.19 112.25 2wr5 n GLY 263 Ca 0.00 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 2wr5 n GLY 263 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wr5 s SER 264 N 1.00 3.46 0.00 1.61 0.01 -1.26 -4.65 113.70 113.88 2wr5 s SER 264 Ca 0.00 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.96 2wr5 s SER 264 Cb 0.00 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2wr5 s SER 264 CO 0.00 -0.40 0.00 -0.24 0.41 0.00 0.00 173.24 173.01 2wr5 n SER 265 N -0.83 0.61 -3.82 2.44 2.88 -1.26 -4.85 113.62 108.79 2wr5 n SER 265 Ca -0.05 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.40 2wr5 n SER 265 Cb 0.66 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.05 2wr5 n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wr5 s GLY 266 N 0.00 0.09 -0.16 0.46 0.00 -1.26 -4.76 107.32 101.69 2wr5 s GLY 266 Ca 0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 44.72 44.04 2wr5 s GLY 266 CO 0.00 -0.66 0.40 -0.42 0.00 0.00 0.00 173.10 172.42 2wr5 s ILE 267 N -3.87 5.22 -0.26 0.90 1.01 -1.26 -2.50 121.20 120.43 2wr5 s ILE 267 Ca 0.08 0.77 -0.10 0.00 0.00 0.00 0.00 60.65 61.39 2wr5 s ILE 267 Cb 0.03 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2wr5 s ILE 267 CO -0.08 0.32 0.17 -0.32 0.00 0.00 0.00 174.94 175.02 2wr5 s MET 268 N 0.81 3.95 -0.35 2.79 -2.45 0.20 -4.86 119.30 119.40 2wr5 s MET 268 Ca 0.21 -0.32 -0.20 0.00 -1.25 0.00 0.00 55.69 54.13 2wr5 s MET 268 Cb -0.14 -3.58 -0.00 0.00 1.25 0.00 0.00 34.83 32.35 2wr5 s MET 268 CO 0.08 -0.11 0.59 0.15 1.05 0.00 0.00 175.02 176.78 2wr5 s LYS 269 N 1.53 3.69 0.03 4.11 3.01 -1.25 -1.03 119.74 129.82 2wr5 s LYS 269 Ca 0.07 0.01 -0.28 0.00 -1.01 0.00 0.00 55.97 54.76 2wr5 s LYS 269 Cb -0.15 -3.80 0.09 0.00 -1.01 0.00 0.00 37.83 32.96 2wr5 s LYS 269 CO 0.08 -0.69 1.00 -0.08 0.51 0.00 0.00 175.35 176.18 2wr5 s THR 270 N 2.59 0.00 -0.22 2.17 -1.32 -0.56 -4.87 115.64 113.42 2wr5 s THR 270 Ca 0.23 -0.27 0.22 0.00 -1.21 0.00 0.00 61.69 60.65 2wr5 s THR 270 Cb -0.15 -1.50 -0.19 0.00 -1.51 0.00 0.00 72.50 69.15 2wr5 s THR 270 CO 0.14 0.00 0.76 -0.62 -2.21 0.00 0.00 174.62 172.69 2wr5 n GLU 271 N -0.34 0.56 -0.40 7.08 -0.58 -1.26 -4.17 120.64 121.52 2wr5 n GLU 271 Ca -0.07 -0.06 -0.29 0.00 -0.42 0.00 0.00 57.16 56.32 2wr5 n GLU 271 Cb 0.61 -1.63 0.28 0.00 -0.57 0.00 0.00 31.44 30.13 2wr5 n GLU 271 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wr5 s LYS 272 N -3.40 -2.00 0.12 3.49 1.02 -1.26 -5.06 119.74 112.65 2wr5 s LYS 272 Ca -0.03 0.55 0.06 0.00 0.02 0.00 0.00 55.97 56.57 2wr5 s LYS 272 Cb 0.13 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 2wr5 s LYS 272 CO 0.85 -4.37 -0.14 0.95 -0.92 0.00 0.00 175.35 171.73 2wr5 s THR 273 N -2.32 1.32 0.34 2.17 -4.23 -1.26 -5.05 115.64 106.61 2wr5 s THR 273 Ca 0.69 -1.73 -0.27 0.00 -1.18 0.00 0.00 61.69 59.19 2wr5 s THR 273 Cb -0.21 -1.54 -0.12 0.00 1.34 0.00 0.00 72.50 71.97 2wr5 s THR 273 CO 0.63 -0.43 1.21 -0.11 -0.54 0.00 0.00 174.62 175.37 2wr5 n LEU 274 N 0.51 3.16 -2.01 4.79 0.00 -1.26 -4.24 117.00 117.95 2wr5 n LEU 274 Ca -0.15 1.18 0.01 0.00 0.00 0.00 0.00 56.01 57.04 2wr5 n LEU 274 Cb 0.57 -1.44 0.03 0.00 0.00 0.00 0.00 43.42 42.59 2wr5 n LEU 274 CO 0.27 -0.77 0.13 1.21 0.00 0.00 0.00 177.39 178.24 2wr5 n GLU 275 N 0.51 0.73 -3.39 1.96 2.13 -0.08 -4.95 120.64 117.54 2wr5 n GLU 275 Ca 0.06 -2.30 -0.18 0.00 0.66 0.00 0.00 57.16 55.40 2wr5 n GLU 275 Cb 0.36 -0.43 0.07 0.00 0.27 0.00 0.00 31.44 31.70 2wr5 n GLU 275 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2wr5 n ASN 276 N -0.15 -4.99 -0.48 4.31 2.85 -1.26 -4.84 115.26 110.70 2wr5 n ASN 276 Ca -0.01 -0.75 0.00 0.00 -0.11 0.00 0.00 54.58 53.72 2wr5 n ASN 276 Cb 0.94 -4.83 0.00 0.00 1.24 0.00 0.00 39.78 37.13 2wr5 n ASN 276 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wr5 s GLU 278 N -0.43 0.46 0.23 0.00 2.56 -1.26 -2.11 118.70 118.15 2wr5 s GLU 278 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 54.97 54.41 2wr5 s GLU 278 Cb 0.00 -0.36 0.01 0.00 2.00 0.00 0.00 34.13 35.78 2wr5 s GLU 278 CO 0.00 0.09 0.50 0.95 -0.56 0.00 0.00 175.26 176.24 2wr5 s THR 279 N -0.61 0.02 -2.05 -1.70 -4.23 -0.97 -4.88 115.64 101.22 2wr5 s THR 279 Ca -0.03 -1.15 0.22 0.00 -1.18 0.00 0.00 61.69 59.56 2wr5 s THR 279 Cb -0.05 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.86 2wr5 s THR 279 CO 0.00 -0.07 1.08 2.29 -0.54 0.00 0.00 174.62 177.38 2wr5 n LYS 280 N -0.36 1.31 -3.66 3.99 0.00 -1.26 -2.11 118.16 116.07 2wr5 n LYS 280 Ca -0.05 -1.04 -0.09 0.00 -0.00 0.00 0.00 58.31 57.13 2wr5 n LYS 280 Cb 0.62 -1.46 -0.10 0.00 -0.00 0.00 0.00 35.03 34.09 2wr5 n LYS 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wr5 s GLN 282 N 2.59 2.37 0.26 0.00 2.00 -0.10 -1.68 119.66 125.10 2wr5 s GLN 282 Ca -0.01 -0.78 0.04 0.00 -2.00 0.00 0.00 55.36 52.61 2wr5 s GLN 282 Cb -0.12 -2.29 -0.06 0.00 0.80 0.00 0.00 33.01 31.34 2wr5 s GLN 282 CO -0.12 0.60 0.01 0.95 -0.50 0.00 0.00 175.29 176.23 2wr5 s THR 283 N -0.75 1.12 -1.12 -0.34 -4.23 -0.89 -0.68 115.64 108.75 2wr5 s THR 283 Ca 0.12 -2.04 0.14 0.00 -1.18 0.00 0.00 61.69 58.73 2wr5 s THR 283 Cb -0.10 -2.49 0.16 0.00 1.34 0.00 0.00 72.50 71.41 2wr5 s THR 283 CO 0.01 -0.22 1.43 -2.65 -0.54 0.00 0.00 174.62 172.66 2wr5 n PRO 284 N -0.51 0.06 -0.12 3.99 -0.02 -1.26 -2.67 135.00 134.47 2wr5 n PRO 284 Ca -0.04 0.23 -0.15 0.00 -2.02 0.00 0.00 63.50 61.51 2wr5 n PRO 284 Cb 0.65 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.49 2wr5 n PRO 284 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wr5 n LEU 285 N -1.44 1.97 0.00 2.45 4.77 -1.26 -4.90 117.00 118.58 2wr5 n LEU 285 Ca 0.04 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2wr5 n LEU 285 Cb 0.15 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2wr5 n LEU 285 CO 0.12 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 2wr5 n GLY 286 N 2.10 -0.42 3.88 -0.72 0.00 -1.09 -4.07 105.19 104.87 2wr5 n GLY 286 Ca -0.41 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 2wr5 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr5 s ALA 287 N -2.00 3.30 -0.18 4.61 0.00 -1.12 -2.08 121.76 124.27 2wr5 s ALA 287 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.72 2wr5 s ALA 287 Cb 0.00 -2.77 0.03 0.00 0.00 0.00 0.00 23.12 20.38 2wr5 s ALA 287 CO 0.00 -0.26 -0.16 0.42 0.00 0.00 0.00 175.76 175.75 2wr5 s ILE 288 N -2.66 1.91 -0.34 0.00 1.09 -0.68 -1.84 121.20 118.69 2wr5 s ILE 288 Ca 0.51 -0.96 -0.04 0.00 -1.10 0.00 0.00 60.65 59.06 2wr5 s ILE 288 Cb -0.10 -1.80 0.06 0.00 -1.06 0.00 0.00 42.46 39.55 2wr5 s ILE 288 CO 0.40 0.41 0.09 0.21 -0.10 0.00 0.00 174.94 175.94 2wr5 s ASN 289 N 1.33 5.16 -0.10 3.58 2.47 -1.26 -4.27 114.94 121.85 2wr5 s ASN 289 Ca 0.03 -1.34 -0.27 0.00 0.42 0.00 0.00 52.86 51.70 2wr5 s ASN 289 Cb -0.14 -1.81 0.06 0.00 -1.45 0.00 0.00 41.25 37.91 2wr5 s ASN 289 CO -0.11 -0.34 0.63 0.28 -3.72 0.00 0.00 177.10 173.84 2wr5 s THR 290 N 1.31 0.01 -0.13 -5.21 -1.32 -1.26 -5.00 115.64 104.03 2wr5 s THR 290 Ca -0.01 -0.05 0.21 0.00 -1.21 0.00 0.00 61.69 60.62 2wr5 s THR 290 Cb -0.20 -0.93 -0.18 0.00 -1.51 0.00 0.00 72.50 69.68 2wr5 s THR 290 CO 0.00 -0.03 0.70 0.35 -2.21 0.00 0.00 174.62 173.43 2wr5 n THR 291 N 1.44 0.57 -1.34 5.08 -2.24 -1.26 -4.98 114.28 111.54 2wr5 n THR 291 Ca -0.18 -0.59 -0.35 0.00 -2.27 0.00 0.00 64.05 60.66 2wr5 n THR 291 Cb 0.56 -0.30 0.09 0.00 -2.10 0.00 0.00 70.33 68.58 2wr5 n THR 291 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wr5 n LEU 292 N -2.57 3.61 0.03 3.22 4.77 -1.26 -4.94 117.00 119.86 2wr5 n LEU 292 Ca -0.06 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.70 2wr5 n LEU 292 Cb 0.67 -1.42 0.19 0.00 -2.33 0.00 0.00 43.42 40.53 2wr5 n LEU 292 CO 0.43 -2.00 0.36 -0.81 -1.33 0.00 0.00 177.39 174.04 2wr5 n PRO 293 N -1.97 0.18 -4.06 3.23 -0.05 -1.26 -4.62 135.00 126.44 2wr5 n PRO 293 Ca 0.13 0.04 -0.13 0.00 -0.05 0.00 0.00 63.50 63.49 2wr5 n PRO 293 Cb 0.49 -1.60 -0.12 0.00 -0.05 0.00 0.00 33.50 32.22 2wr5 n PRO 293 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 2wr5 s PHE 294 N -3.11 0.62 0.18 0.54 0.08 -1.24 0.07 117.98 115.13 2wr5 s PHE 294 Ca 0.08 -0.46 -0.07 0.00 0.12 0.00 0.00 56.93 56.60 2wr5 s PHE 294 Cb 0.15 -0.38 -0.02 0.00 -0.57 0.00 0.00 43.02 42.21 2wr5 s PHE 294 CO 0.72 -0.08 0.26 -3.38 -0.10 0.00 0.00 175.22 172.64 2wr5 s HIS 295 N -1.27 0.62 -0.02 0.36 -3.43 0.10 -0.09 115.29 111.56 2wr5 s HIS 295 Ca -0.09 -0.95 0.19 0.00 -0.80 0.00 0.00 55.06 53.41 2wr5 s HIS 295 Cb -0.09 -0.17 0.33 0.00 -1.43 0.00 0.00 32.58 31.22 2wr5 s HIS 295 CO 0.00 -0.73 1.14 0.27 -2.00 0.00 0.00 174.74 173.42 2wr5 n ASN 296 N -0.24 0.87 -0.03 7.38 6.94 -1.10 -1.80 115.26 127.28 2wr5 n ASN 296 Ca -0.04 -2.17 -0.14 0.00 -0.02 0.00 0.00 54.58 52.21 2wr5 n ASN 296 Cb 0.63 -0.30 -0.10 0.00 -2.36 0.00 0.00 39.78 37.65 2wr5 n ASN 296 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wr5 h ILE 297 N 6.37 1.47 -1.47 1.53 2.04 -1.90 -3.48 117.51 122.06 2wr5 h ILE 297 Ca -0.16 -1.52 0.10 0.00 1.00 0.00 0.00 64.86 64.29 2wr5 h ILE 297 Cb 1.70 2.42 -0.27 0.00 -0.74 0.00 0.00 36.82 39.93 2wr5 h ILE 297 CO 0.07 0.41 0.58 -2.28 0.00 0.00 0.00 178.15 176.92 2wr5 s HIS 298 N -3.74 -0.36 -0.03 1.37 5.04 -1.26 -5.04 115.29 111.27 2wr5 s HIS 298 Ca -0.16 0.80 0.18 0.00 -1.54 0.00 0.00 55.06 54.34 2wr5 s HIS 298 Cb 0.01 0.41 0.38 0.00 0.04 0.00 0.00 32.58 33.42 2wr5 s HIS 298 CO 0.71 -0.21 1.59 -1.35 -2.34 0.00 0.00 174.74 173.13 2wr5 h PRO 299 N 3.52 0.00 -3.32 2.88 0.11 -1.98 -3.40 132.00 129.81 2wr5 h PRO 299 Ca -0.25 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 65.08 2wr5 h PRO 299 Cb 1.18 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.08 2wr5 h PRO 299 CO 0.17 0.41 1.46 1.28 -0.21 0.00 0.00 178.00 181.11 2wr5 n LEU 300 N -3.32 6.48 -4.98 2.35 4.77 -1.26 -4.93 117.00 116.11 2wr5 n LEU 300 Ca 0.01 -4.88 -0.20 0.00 -0.03 0.00 0.00 56.01 50.91 2wr5 n LEU 300 Cb 0.62 -1.40 0.04 0.00 -2.33 0.00 0.00 43.42 40.35 2wr5 n LEU 300 CO 0.38 1.48 0.34 0.42 -1.33 0.00 0.00 177.39 178.68 2wr5 s THR 301 N -0.90 2.68 -0.04 -5.08 -4.23 -1.26 -4.36 115.64 102.45 2wr5 s THR 301 Ca 0.36 -0.73 -0.01 0.00 -1.18 0.00 0.00 61.69 60.13 2wr5 s THR 301 Cb 0.07 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.99 2wr5 s THR 301 CO 0.04 0.00 0.07 -0.63 -0.54 0.00 0.00 174.62 173.56 2wr5 s ILE 302 N -2.71 -0.09 -1.38 2.99 1.01 0.15 -4.20 121.20 116.97 2wr5 s ILE 302 Ca 0.58 0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.52 2wr5 s ILE 302 Cb -0.10 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.23 2wr5 s ILE 302 CO 0.38 0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.05 2wr5 n GLY 303 N 4.65 0.50 3.34 6.18 0.00 -0.83 -0.92 105.19 118.11 2wr5 n GLY 303 Ca -0.18 -2.03 -0.45 0.00 0.00 0.00 0.00 46.02 43.36 2wr5 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr5 s GLU 304 N -0.55 3.05 0.10 1.61 2.02 0.39 -2.08 118.70 123.24 2wr5 s GLU 304 Ca 0.00 -1.56 0.10 0.00 0.02 0.00 0.00 54.97 53.53 2wr5 s GLU 304 Cb 0.00 -4.30 -0.04 0.00 0.10 0.00 0.00 34.13 29.90 2wr5 s GLU 304 CO 0.00 -1.44 -0.25 0.00 0.02 0.00 0.00 175.26 173.59 2wr5 n PRO 306 N 1.22 -0.25 -2.41 0.00 -0.02 -1.26 -4.83 135.00 127.44 2wr5 n PRO 306 Ca -0.18 -0.02 -0.40 0.00 -2.02 0.00 0.00 63.50 60.88 2wr5 n PRO 306 Cb 0.53 -1.98 -0.04 0.00 -0.02 0.00 0.00 33.50 31.99 2wr5 n PRO 306 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2wr5 s LYS 307 N -3.78 4.50 -0.11 -0.52 2.47 0.11 -4.65 119.74 117.76 2wr5 s LYS 307 Ca 0.60 1.85 -0.20 0.00 -1.56 0.00 0.00 55.97 56.67 2wr5 s LYS 307 Cb -0.23 -3.07 -0.04 0.00 -1.46 0.00 0.00 37.83 33.03 2wr5 s LYS 307 CO 0.64 0.07 0.54 -0.47 0.16 0.00 0.00 175.35 176.30 2wr5 s TYR 308 N -1.22 3.52 0.14 4.03 5.04 -1.26 -0.72 117.35 126.87 2wr5 s TYR 308 Ca 0.47 0.98 0.05 0.00 -2.44 0.00 0.00 57.07 56.14 2wr5 s TYR 308 Cb -0.32 -2.63 -0.04 0.00 0.35 0.00 0.00 41.96 39.31 2wr5 s TYR 308 CO 0.42 0.13 -0.12 0.14 -1.34 0.00 0.00 175.55 174.77 2wr5 s VAL 309 N 0.75 1.27 -1.28 3.14 -7.23 -0.74 -4.79 120.40 111.52 2wr5 s VAL 309 Ca 0.29 -1.87 0.29 0.00 -1.81 0.00 0.00 61.98 58.88 2wr5 s VAL 309 Cb -0.16 -1.67 0.42 0.00 0.56 0.00 0.00 36.38 35.54 2wr5 s VAL 309 CO 0.12 -0.56 2.00 0.29 -0.31 0.00 0.00 175.10 176.64 2wr5 n LYS 310 N 0.20 0.28 -1.55 4.82 5.02 -1.26 -4.54 118.16 121.13 2wr5 n LYS 310 Ca -0.13 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.82 2wr5 n LYS 310 Cb 0.59 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.17 2wr5 n LYS 310 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wr5 s SER 311 N -2.72 4.46 -0.09 4.39 0.15 -1.26 -4.97 113.70 113.66 2wr5 s SER 311 Ca 0.23 2.29 0.19 0.00 0.70 0.00 0.00 55.95 59.36 2wr5 s SER 311 Cb 0.20 -2.58 0.42 0.00 -1.71 0.00 0.00 66.02 62.34 2wr5 s SER 311 CO 0.48 -2.08 1.19 -0.90 1.20 0.00 0.00 173.24 173.13 2wr5 n ASP 312 N -2.56 1.30 -3.15 5.45 5.68 -1.26 -4.78 116.55 117.24 2wr5 n ASP 312 Ca 0.13 -2.83 0.05 0.00 -0.50 0.00 0.00 54.79 51.64 2wr5 n ASP 312 Cb 0.50 -0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 40.07 2wr5 n ASP 312 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2wr5 s ARG 313 N -1.43 0.17 -0.56 0.11 0.52 -1.26 -5.10 118.95 111.40 2wr5 s ARG 313 Ca 0.35 0.28 0.04 0.00 -0.52 0.00 0.00 55.73 55.88 2wr5 s ARG 313 Cb 0.37 0.15 0.17 0.00 0.52 0.00 0.00 34.95 36.16 2wr5 s ARG 313 CO -0.12 -0.21 0.41 -0.51 0.02 0.00 0.00 175.30 174.88 2wr5 s LEU 314 N 2.96 3.32 -0.19 2.53 1.43 -1.26 -5.07 118.68 122.40 2wr5 s LEU 314 Ca 0.04 -3.42 -0.13 0.00 -1.03 0.00 0.00 54.13 49.59 2wr5 s LEU 314 Cb -0.09 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 2wr5 s LEU 314 CO -0.13 -0.14 0.26 -0.69 0.23 0.00 0.00 176.35 175.88 2wr5 s VAL 315 N -0.68 5.31 -0.21 -1.59 1.01 -1.26 -0.43 120.40 122.55 2wr5 s VAL 315 Ca 0.27 0.45 -0.12 0.00 0.00 0.00 0.00 61.98 62.58 2wr5 s VAL 315 Cb -0.04 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 2wr5 s VAL 315 CO -0.16 0.36 0.21 -0.22 0.00 0.00 0.00 175.10 175.29 2wr5 s LEU 316 N 0.75 4.17 0.24 3.92 2.96 0.90 -4.77 118.68 126.85 2wr5 s LEU 316 Ca 0.14 0.27 -0.30 0.00 -0.22 0.00 0.00 54.13 54.02 2wr5 s LEU 316 Cb -0.13 -2.21 -0.09 0.00 0.50 0.00 0.00 46.19 44.26 2wr5 s LEU 316 CO 0.04 0.08 1.30 0.00 -1.32 0.00 0.00 176.35 176.45 2wr5 s ALA 317 N 0.80 3.52 0.00 5.97 0.00 -1.26 -0.41 121.76 130.39 2wr5 s ALA 317 Ca 0.11 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2wr5 s ALA 317 Cb -0.13 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2wr5 s ALA 317 CO 0.03 -0.55 0.00 0.25 0.00 0.00 0.00 175.76 175.49 2wr5 n THR 318 N 2.10 0.00 -1.12 0.00 -2.24 -0.68 -4.88 114.28 107.47 2wr5 n THR 318 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2wr5 n THR 318 Cb 0.42 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 2wr5 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr5 n GLY 319 N 3.01 0.13 3.90 3.38 0.00 -0.18 -4.91 105.19 110.53 2wr5 n GLY 319 Ca 0.00 -1.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.02 2wr5 n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wr5 s LEU 320 N 0.00 3.47 0.16 0.99 0.05 -1.26 -4.67 118.68 117.42 2wr5 s LEU 320 Ca 0.00 -0.66 -0.34 0.00 0.05 0.00 0.00 54.13 53.18 2wr5 s LEU 320 Cb 0.00 -2.18 -0.15 0.00 -2.05 0.00 0.00 46.19 41.81 2wr5 s LEU 320 CO 0.00 -0.63 1.45 -1.14 -0.55 0.00 0.00 176.35 175.47 2wr5 n ARG 321 N -1.58 1.78 -3.06 1.48 0.63 -1.26 -1.11 116.66 113.55 2wr5 n ARG 321 Ca 0.04 0.64 -0.42 0.00 -0.92 0.00 0.00 57.85 57.19 2wr5 n ARG 321 Cb 0.61 -2.33 -0.06 0.00 0.45 0.00 0.00 32.46 31.13 2wr5 n ARG 321 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2wr5 s ASN 322 N 0.60 6.50 -0.37 6.15 2.47 -0.92 -4.74 114.94 124.63 2wr5 s ASN 322 Ca 0.78 0.33 0.00 0.00 0.42 0.00 0.00 52.86 54.39 2wr5 s ASN 322 Cb -0.76 -2.35 0.14 0.00 -1.45 0.00 0.00 41.25 36.83 2wr5 s ASN 322 CO 0.44 -0.59 0.21 -0.69 -3.72 0.00 0.00 177.10 172.75 2wr5 s VAL 323 N 2.79 0.36 -0.32 -5.21 1.01 -1.26 -4.87 120.40 112.91 2wr5 s VAL 323 Ca 0.27 -1.85 0.01 0.00 0.00 0.00 0.00 61.98 60.41 2wr5 s VAL 323 Cb -0.14 -1.27 0.33 0.00 0.00 0.00 0.00 36.38 35.30 2wr5 s VAL 323 CO 0.14 -0.97 1.75 -2.65 0.00 0.00 0.00 175.10 173.37 2wr5 n PRO 324 N 3.96 1.84 0.00 2.72 -0.02 -1.26 0.57 135.00 142.81 2wr5 n PRO 324 Ca 0.11 -1.82 0.00 0.00 -2.02 0.00 0.00 63.50 59.78 2wr5 n PRO 324 Cb 0.37 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2wr5 n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wr5 n GLY 330 N -0.22 -1.50 0.01 -1.23 0.00 -1.20 -4.74 105.19 96.31 2wr5 n GLY 330 Ca 0.36 0.75 0.11 0.00 0.00 0.00 0.00 46.02 47.23 2wr5 n GLY 330 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wr5 n LEU 331 N 0.00 0.09 -0.18 0.99 7.94 -1.26 -4.27 117.00 120.31 2wr5 n LEU 331 Ca 0.00 -0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.92 2wr5 n LEU 331 Cb 0.00 -0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 2wr5 n LEU 331 CO 0.00 0.00 0.26 0.49 -1.11 0.00 0.00 177.39 177.03 2wr5 n PHE 332 N -2.25 0.00 -1.35 1.96 3.01 -1.26 -5.01 117.46 112.56 2wr5 n PHE 332 Ca -0.03 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.35 2wr5 n PHE 332 Cb 0.56 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.00 2wr5 n PHE 332 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wr5 n GLY 333 N 0.52 0.88 0.00 1.37 0.00 -1.26 -4.93 105.19 101.77 2wr5 n GLY 333 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2wr5 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr5 n ALA 334 N 0.84 0.00 -1.87 4.61 0.00 -1.26 0.13 120.51 122.95 2wr5 n ALA 334 Ca -0.08 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 2wr5 n ALA 334 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 2wr5 n ALA 334 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wr5 s ILE 335 N -0.68 2.46 -1.64 0.00 1.01 -1.26 -1.00 121.20 120.08 2wr5 s ILE 335 Ca 0.00 0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 2wr5 s ILE 335 Cb 0.00 -3.20 0.13 0.00 0.01 0.00 0.00 42.46 39.40 2wr5 s ILE 335 CO 0.00 0.02 0.83 0.00 0.00 0.00 0.00 174.94 175.79 2wr5 n ALA 336 N 4.06 -1.30 -2.01 9.38 0.00 -1.17 -3.27 120.51 126.20 2wr5 n ALA 336 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2wr5 n ALA 336 Cb 0.38 -3.70 0.00 0.00 0.00 0.00 0.00 19.45 16.13 2wr5 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr5 n GLY 337 N -1.51 3.79 0.22 0.00 0.00 -0.17 -4.60 105.19 102.91 2wr5 n GLY 337 Ca 0.05 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.80 2wr5 n GLY 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wr5 h PHE 338 N 0.00 0.00 -3.13 1.61 -5.15 -0.06 -3.26 116.94 106.95 2wr5 h PHE 338 Ca 0.00 0.00 -0.74 0.00 -0.20 0.00 0.00 57.97 57.03 2wr5 h PHE 338 Cb 0.00 0.00 -0.23 0.00 0.22 0.00 0.00 35.95 35.94 2wr5 h PHE 338 CO 0.00 0.27 -0.19 0.42 -2.00 0.00 0.00 178.31 176.81 2wr5 s ILE 339 N -3.93 5.15 0.28 0.88 1.01 -0.98 -3.95 121.20 119.66 2wr5 s ILE 339 Ca -0.01 -1.25 0.36 0.00 0.00 0.00 0.00 60.65 59.74 2wr5 s ILE 339 Cb 0.12 -4.30 0.39 0.00 0.01 0.00 0.00 42.46 38.69 2wr5 s ILE 339 CO 0.66 -0.82 2.09 1.05 0.00 0.00 0.00 174.94 177.92 2wr5 h GLU 340 N 8.90 0.00 -3.35 2.79 4.11 -1.81 -3.08 114.58 122.13 2wr5 h GLU 340 Ca -0.29 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.09 2wr5 h GLU 340 Cb 1.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 2wr5 h GLU 340 CO 1.00 0.02 0.08 0.20 0.07 0.00 0.00 179.01 180.38 2wr5 s GLY 341 N -4.18 0.47 0.39 1.06 0.00 -1.26 -4.41 107.32 99.39 2wr5 s GLY 341 Ca -0.01 -0.79 0.08 0.00 0.00 0.00 0.00 44.72 44.00 2wr5 s GLY 341 CO 0.52 -0.44 0.47 -0.32 0.00 0.00 0.00 173.10 173.32 2wr5 s GLY 342 N -3.04 1.92 -0.36 0.20 0.00 0.19 -4.57 107.32 101.66 2wr5 s GLY 342 Ca 0.18 -1.69 -0.12 0.00 0.00 0.00 0.00 44.72 43.09 2wr5 s GLY 342 CO 0.11 -1.53 0.23 -0.98 0.00 0.00 0.00 173.10 170.92 2wr5 s TRP 343 N -2.35 3.22 0.41 1.90 0.51 0.67 -4.74 118.94 118.58 2wr5 s TRP 343 Ca 0.50 -0.53 0.11 0.00 -2.12 0.00 0.00 56.10 54.07 2wr5 s TRP 343 Cb -0.08 -2.47 0.94 0.00 -0.81 0.00 0.00 33.47 31.06 2wr5 s TRP 343 CO 0.31 -0.49 1.98 1.96 -0.51 0.00 0.00 176.95 180.19 2wr5 h GLN 344 N 8.48 0.49 -0.58 4.98 1.08 -1.88 -2.66 115.11 125.02 2wr5 h GLN 344 Ca -0.29 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 2wr5 h GLN 344 Cb 1.14 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2wr5 h GLN 344 CO 0.66 0.33 0.00 0.41 -0.95 0.00 0.00 178.83 179.28 2wr5 n GLY 345 N -1.50 1.79 3.34 3.46 0.00 -1.26 -4.69 105.19 106.33 2wr5 n GLY 345 Ca 0.10 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 2wr5 n GLY 345 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wr5 s MET 346 N -1.53 2.82 -0.15 1.61 -2.45 -1.20 -4.96 119.30 113.44 2wr5 s MET 346 Ca 0.37 -1.39 0.18 0.00 -1.25 0.00 0.00 55.69 53.60 2wr5 s MET 346 Cb 0.22 -3.98 0.37 0.00 1.25 0.00 0.00 34.83 32.69 2wr5 s MET 346 CO 0.21 -0.99 1.24 1.33 1.05 0.00 0.00 175.02 177.87 2wr5 n VAL 347 N 5.08 2.03 -1.85 10.11 0.24 -1.26 -4.57 118.33 128.10 2wr5 n VAL 347 Ca -0.11 -2.16 0.01 0.00 -2.04 0.00 0.00 64.34 60.04 2wr5 n VAL 347 Cb 0.43 -0.25 0.01 0.00 -1.47 0.00 0.00 33.84 32.57 2wr5 n VAL 347 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wr5 n ASP 348 N -1.13 0.21 -3.57 -1.34 5.75 -1.26 -5.10 116.55 110.10 2wr5 n ASP 348 Ca 0.18 -2.03 0.03 0.00 -0.01 0.00 0.00 54.79 52.95 2wr5 n ASP 348 Cb 0.73 -0.21 -0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2wr5 n ASP 348 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wr5 s GLY 349 N -1.10 -0.44 -0.07 6.12 0.00 -1.26 -4.89 107.32 105.67 2wr5 s GLY 349 Ca 0.03 1.13 0.05 0.00 0.00 0.00 0.00 44.72 45.92 2wr5 s GLY 349 CO 0.00 0.26 0.56 1.49 0.00 0.00 0.00 173.10 175.42 2wr5 h TRP 350 N 2.00 0.19 -3.92 1.90 6.55 -1.89 -3.43 115.95 117.35 2wr5 h TRP 350 Ca -0.28 -0.14 -0.34 0.00 0.95 0.00 0.00 58.89 59.09 2wr5 h TRP 350 Cb 1.18 -0.01 -0.21 0.00 -0.86 0.00 0.00 29.16 29.26 2wr5 h TRP 350 CO 0.29 1.30 -0.75 0.71 -1.05 0.00 0.00 178.44 178.95 2wr5 s TYR 351 N -2.58 0.95 0.00 0.49 1.51 -1.26 -1.12 117.35 115.34 2wr5 s TYR 351 Ca -0.11 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.44 2wr5 s TYR 351 Cb 0.07 -0.54 0.00 0.00 -0.11 0.00 0.00 41.96 41.38 2wr5 s TYR 351 CO 0.81 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 175.64 2wr5 n GLY 352 N 1.24 1.25 3.49 0.71 0.00 -0.90 -0.78 105.19 110.21 2wr5 n GLY 352 Ca -0.21 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 2wr5 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr5 s TYR 353 N -2.84 2.40 -0.27 1.61 1.51 0.42 -2.13 117.35 118.07 2wr5 s TYR 353 Ca 0.00 -0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 55.73 2wr5 s TYR 353 Cb 0.00 -1.12 0.09 0.00 -0.11 0.00 0.00 41.96 40.82 2wr5 s TYR 353 CO 0.00 0.59 0.09 -1.58 -1.11 0.00 0.00 175.55 173.54 2wr5 s HIS 354 N -2.04 1.03 -0.11 2.71 2.46 -0.18 -1.30 115.29 117.86 2wr5 s HIS 354 Ca 0.26 -1.18 -0.12 0.00 0.47 0.00 0.00 55.06 54.49 2wr5 s HIS 354 Cb -0.07 -1.24 -0.05 0.00 -0.13 0.00 0.00 32.58 31.09 2wr5 s HIS 354 CO 0.14 -0.78 0.28 -3.38 -2.47 0.00 0.00 174.74 168.53 2wr5 s HIS 355 N 1.85 3.57 -0.24 3.88 -3.43 -0.55 -1.66 115.29 118.71 2wr5 s HIS 355 Ca 0.06 0.68 -0.09 0.00 -0.80 0.00 0.00 55.06 54.91 2wr5 s HIS 355 Cb -0.17 -2.21 -0.04 0.00 -1.43 0.00 0.00 32.58 28.73 2wr5 s HIS 355 CO -0.24 0.49 0.13 -1.12 -2.00 0.00 0.00 174.74 172.00 2wr5 s SER 356 N -0.38 5.73 0.05 7.38 0.01 -0.02 -4.35 113.70 122.12 2wr5 s SER 356 Ca 0.18 -0.02 -0.00 0.00 1.31 0.00 0.00 55.95 57.42 2wr5 s SER 356 Cb -0.14 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 2wr5 s SER 356 CO 0.06 0.02 -0.04 0.21 0.41 0.00 0.00 173.24 173.91 2wr5 s ASN 357 N 1.29 0.57 0.24 2.44 3.84 -1.09 -3.48 114.94 118.75 2wr5 s ASN 357 Ca 0.06 -0.87 -0.05 0.00 0.21 0.00 0.00 52.86 52.21 2wr5 s ASN 357 Cb -0.14 0.15 0.39 0.00 -0.55 0.00 0.00 41.25 41.10 2wr5 s ASN 357 CO 0.05 -0.49 1.80 0.44 -2.79 0.00 0.00 177.10 176.11 2wr5 h ASP 358 N 3.50 0.63 0.00 -4.21 3.32 -1.99 -3.29 116.42 114.38 2wr5 h ASP 358 Ca -0.34 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2wr5 h ASP 358 Cb 1.16 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2wr5 h ASP 358 CO 0.59 0.35 0.00 0.00 -1.72 0.00 0.00 179.24 178.46 2wr5 n GLN 359 N -4.77 0.00 -1.91 3.56 3.00 -1.26 -5.07 117.38 110.94 2wr5 n GLN 359 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2wr5 n GLN 359 Cb 0.28 -0.37 0.00 0.00 0.00 0.00 0.00 30.24 30.16 2wr5 n GLN 359 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wr5 n GLY 360 N 0.82 4.12 3.45 1.08 0.00 -1.24 -5.17 105.19 108.25 2wr5 n GLY 360 Ca 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.31 2wr5 n GLY 360 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr5 s SER 361 N -0.91 -0.39 0.00 1.61 1.04 -1.26 -2.67 113.70 111.12 2wr5 s SER 361 Ca 0.00 0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2wr5 s SER 361 Cb 0.00 1.35 0.00 0.00 0.10 0.00 0.00 66.02 67.47 2wr5 s SER 361 CO 0.00 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2wr5 n GLY 362 N 4.33 -0.24 3.71 7.32 0.00 -1.26 -5.06 105.19 113.99 2wr5 n GLY 362 Ca -0.12 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2wr5 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr5 s TYR 363 N 0.00 3.44 -0.10 1.61 1.51 -1.26 -1.49 117.35 121.06 2wr5 s TYR 363 Ca 0.00 0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 56.64 2wr5 s TYR 363 Cb 0.00 -2.39 0.04 0.00 -0.11 0.00 0.00 41.96 39.50 2wr5 s TYR 363 CO 0.00 0.18 0.07 0.00 -1.11 0.00 0.00 175.55 174.69 2wr5 s ALA 364 N 0.65 0.38 0.45 3.71 0.00 -0.42 -5.01 121.76 121.52 2wr5 s ALA 364 Ca 0.17 -0.07 -0.23 0.00 0.00 0.00 0.00 51.96 51.83 2wr5 s ALA 364 Cb -0.13 -0.82 -0.07 0.00 0.00 0.00 0.00 23.12 22.09 2wr5 s ALA 364 CO 0.05 -0.79 1.19 0.00 0.00 0.00 0.00 175.76 176.21 2wr5 s ALA 365 N 2.13 3.01 -0.61 0.00 0.00 -1.26 -0.43 121.76 124.59 2wr5 s ALA 365 Ca 0.04 0.99 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 2wr5 s ALA 365 Cb -0.14 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.65 2wr5 s ALA 365 CO -0.06 -0.70 0.86 0.34 0.00 0.00 0.00 175.76 176.20 2wr5 s ASP 366 N -1.25 6.21 0.08 0.00 3.68 0.04 -4.85 116.67 120.58 2wr5 s ASP 366 Ca 0.63 -0.99 -0.33 0.00 2.13 0.00 0.00 52.55 53.98 2wr5 s ASP 366 Cb -0.30 -2.38 -0.17 0.00 -1.45 0.00 0.00 42.92 38.62 2wr5 s ASP 366 CO 0.37 -1.26 1.61 0.07 0.13 0.00 0.00 175.17 176.08 2wr5 h LYS 367 N 9.37 -0.87 0.00 4.34 2.10 -1.93 -2.64 116.57 126.94 2wr5 h LYS 367 Ca -0.28 0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2wr5 h LYS 367 Cb 1.08 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2wr5 h LYS 367 CO 1.12 -0.58 0.00 0.39 -2.00 0.00 0.00 179.45 178.38 2wr5 n GLU 368 N -5.51 0.00 0.17 0.07 -0.58 -1.26 -1.78 120.64 111.75 2wr5 n GLU 368 Ca -0.12 0.86 0.03 0.00 -0.42 0.00 0.00 57.16 57.50 2wr5 n GLU 368 Cb 0.40 -1.42 0.31 0.00 -0.57 0.00 0.00 31.44 30.16 2wr5 n GLU 368 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2wr5 h SER 369 N 0.00 0.00 -0.60 1.62 4.64 -1.96 -1.39 113.55 115.86 2wr5 h SER 369 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wr5 h SER 369 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2wr5 h SER 369 CO 0.00 0.45 0.39 0.74 -0.87 0.00 0.00 176.83 177.53 2wr5 h THR 370 N 0.00 1.16 -0.04 2.95 2.02 -1.34 -2.63 112.91 115.03 2wr5 h THR 370 Ca -0.00 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2wr5 h THR 370 Cb 0.86 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2wr5 h THR 370 CO 0.06 0.16 -0.02 -0.61 0.37 0.00 0.00 175.52 175.48 2wr5 h GLN 371 N 0.83 0.09 -1.06 6.66 5.75 -0.44 -0.16 115.11 126.77 2wr5 h GLN 371 Ca 0.22 -0.04 0.29 0.00 -0.15 0.00 0.00 58.65 58.97 2wr5 h GLN 371 Cb -0.07 -0.00 -0.11 0.00 1.07 0.00 0.00 27.48 28.36 2wr5 h GLN 371 CO -0.05 0.48 0.66 -0.22 -2.65 0.00 0.00 178.83 177.05 2wr5 h LYS 372 N -0.30 0.37 -0.01 1.69 3.64 -1.30 0.17 116.57 120.83 2wr5 h LYS 372 Ca 0.01 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2wr5 h LYS 372 Cb 0.45 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2wr5 h LYS 372 CO 0.01 0.25 -0.32 0.00 -2.27 0.00 0.00 179.45 177.12 2wr5 h ALA 373 N 1.68 0.05 -0.83 5.00 0.00 -1.19 -1.31 119.26 122.66 2wr5 h ALA 373 Ca 0.66 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2wr5 h ALA 373 Cb 1.61 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 2wr5 h ALA 373 CO -0.40 0.14 0.54 0.27 0.00 0.00 0.00 179.25 179.80 2wr5 h PHE 374 N -0.40 0.93 0.25 0.00 -0.00 0.22 -0.75 116.94 117.19 2wr5 h PHE 374 Ca -0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 57.94 2wr5 h PHE 374 Cb 1.05 -0.31 0.00 0.00 -0.00 0.00 0.00 35.95 36.70 2wr5 h PHE 374 CO 0.17 0.49 -0.12 -0.44 -0.00 0.00 0.00 178.31 178.41 2wr5 h ASP 375 N 0.92 -0.28 -0.21 -0.68 3.32 -0.73 -1.97 116.42 116.79 2wr5 h ASP 375 Ca 0.36 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2wr5 h ASP 375 Cb 0.23 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2wr5 h ASP 375 CO -0.13 -0.02 0.13 1.23 -1.72 0.00 0.00 179.24 178.74 2wr5 h GLY 376 N -0.55 0.29 1.80 2.75 0.00 -0.61 -0.99 103.07 105.76 2wr5 h GLY 376 Ca -0.03 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 2wr5 h GLY 376 CO 0.06 0.10 -0.43 -2.22 0.00 0.00 0.00 176.54 174.04 2wr5 h ILE 377 N 0.27 1.32 0.05 2.60 5.03 -1.24 -0.55 117.51 124.99 2wr5 h ILE 377 Ca 0.08 -1.57 0.01 0.00 -0.12 0.00 0.00 64.86 63.25 2wr5 h ILE 377 Cb -0.03 1.73 -0.02 0.00 -3.03 0.00 0.00 36.82 35.48 2wr5 h ILE 377 CO -0.02 0.47 -0.10 0.74 -0.68 0.00 0.00 178.15 178.56 2wr5 h THR 378 N 0.18 0.77 -0.67 -0.27 2.02 -0.96 -1.38 112.91 112.61 2wr5 h THR 378 Ca 0.01 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.26 2wr5 h THR 378 Cb 0.85 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 2wr5 h THR 378 CO 0.07 0.00 0.36 0.78 0.37 0.00 0.00 175.52 177.09 2wr5 h ASN 379 N -0.19 0.52 -0.53 4.18 2.35 -0.79 -1.15 115.58 119.97 2wr5 h ASN 379 Ca 0.02 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2wr5 h ASN 379 Cb 0.21 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 2wr5 h ASN 379 CO -0.06 0.33 0.31 0.50 -1.65 0.00 0.00 177.43 176.85 2wr5 h LYS 380 N 0.65 0.73 -0.71 0.81 3.64 -0.71 0.14 116.57 121.12 2wr5 h LYS 380 Ca 0.30 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 2wr5 h LYS 380 Cb 0.22 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2wr5 h LYS 380 CO -0.20 0.54 0.21 0.28 -2.27 0.00 0.00 179.45 178.02 2wr5 h VAL 381 N 0.71 1.26 0.00 2.00 2.07 -0.95 -2.65 116.25 118.69 2wr5 h VAL 381 Ca 0.19 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 66.70 2wr5 h VAL 381 Cb 0.01 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2wr5 h VAL 381 CO -0.03 0.35 -0.50 0.78 0.02 0.00 0.00 177.57 178.19 2wr5 h ASN 382 N 1.06 0.00 -0.32 0.57 2.35 -0.47 -2.06 115.58 116.72 2wr5 h ASN 382 Ca 0.23 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.88 2wr5 h ASN 382 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2wr5 h ASN 382 CO -0.01 0.50 -0.20 0.28 -1.65 0.00 0.00 177.43 176.36 2wr5 h SER 383 N 0.00 0.73 -0.32 5.81 0.02 -0.57 0.25 113.55 119.47 2wr5 h SER 383 Ca -0.01 -0.43 -0.07 0.00 -0.84 0.00 0.00 61.79 60.45 2wr5 h SER 383 Cb 0.98 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2wr5 h SER 383 CO 0.07 1.00 -0.08 0.58 -1.14 0.00 0.00 176.83 177.25 2wr5 h VAL 384 N 0.46 1.28 -0.02 2.27 2.07 -1.39 -2.92 116.25 118.00 2wr5 h VAL 384 Ca 0.07 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 2wr5 h VAL 384 Cb 0.74 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2wr5 h VAL 384 CO 0.06 0.36 -0.10 0.40 0.02 0.00 0.00 177.57 178.31 2wr5 h ILE 385 N 0.39 1.50 0.00 4.57 2.04 -1.40 -3.38 117.51 121.23 2wr5 h ILE 385 Ca 0.08 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.30 2wr5 h ILE 385 Cb 0.57 2.53 -0.00 0.00 -0.74 0.00 0.00 36.82 39.18 2wr5 h ILE 385 CO 0.03 0.44 -0.06 0.00 0.00 0.00 0.00 178.15 178.56 2wr5 h ALA 386 N 0.36 0.97 0.00 1.87 0.00 -0.59 -3.06 119.26 118.80 2wr5 h ALA 386 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wr5 h ALA 386 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2wr5 h ALA 386 CO 0.02 0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.97 2wr5 n LYS 387 N -3.12 0.09 -2.30 0.00 4.76 -1.10 -4.84 118.16 111.65 2wr5 n LYS 387 Ca 0.03 0.20 -0.40 0.00 -2.87 0.00 0.00 58.31 55.28 2wr5 n LYS 387 Cb 0.53 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 2wr5 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr5 s MET 388 N -3.08 4.40 -0.67 1.97 1.75 -1.16 -4.99 119.30 117.52 2wr5 s MET 388 Ca 0.09 1.96 -0.11 0.00 -1.25 0.00 0.00 55.69 56.38 2wr5 s MET 388 Cb 0.13 -3.02 0.17 0.00 2.84 0.00 0.00 34.83 34.95 2wr5 s MET 388 CO 0.43 -0.06 0.57 1.21 -0.65 0.00 0.00 175.02 176.53 2wr5 s ASN 389 N -0.80 6.15 -1.12 1.11 3.04 -1.26 -4.98 114.94 117.07 2wr5 s ASN 389 Ca 0.49 -2.42 -0.04 0.00 0.04 0.00 0.00 52.86 50.93 2wr5 s ASN 389 Cb -0.34 -2.10 0.27 0.00 -1.54 0.00 0.00 41.25 37.54 2wr5 s ASN 389 CO 0.45 -0.60 1.74 0.35 -3.04 0.00 0.00 177.10 176.00 2wr5 n THR 390 N 4.27 5.41 -1.15 -5.21 -2.24 -1.26 -5.00 114.28 109.10 2wr5 n THR 390 Ca 0.04 -5.54 -0.29 0.00 -2.27 0.00 0.00 64.05 55.98 2wr5 n THR 390 Cb 0.43 -1.97 0.19 0.00 -2.10 0.00 0.00 70.33 66.88 2wr5 n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wr5 s GLN 391 N -2.57 0.01 -0.13 -0.78 -2.07 -1.26 -4.66 119.66 108.21 2wr5 s GLN 391 Ca 0.37 0.37 -0.22 0.00 -1.82 0.00 0.00 55.36 54.07 2wr5 s GLN 391 Cb 0.11 -1.70 -0.03 0.00 -1.09 0.00 0.00 33.01 30.30 2wr5 s GLN 391 CO 0.00 -2.98 0.65 0.12 -1.32 0.00 0.00 175.29 171.76 2wr5 s PHE 392 N -2.98 3.48 0.11 9.60 5.36 -1.26 -4.39 117.98 127.90 2wr5 s PHE 392 Ca 0.67 1.08 -0.01 0.00 -0.96 0.00 0.00 56.93 57.71 2wr5 s PHE 392 Cb -0.17 -2.78 -0.04 0.00 -0.34 0.00 0.00 43.02 39.69 2wr5 s PHE 392 CO 0.57 -0.01 0.03 -1.21 -1.46 0.00 0.00 175.22 173.14 2wr5 s GLU 393 N 1.26 0.83 -0.13 10.12 8.01 -0.88 -4.98 118.70 132.93 2wr5 s GLU 393 Ca 0.33 -1.38 0.09 0.00 0.01 0.00 0.00 54.97 54.02 2wr5 s GLU 393 Cb -0.17 0.22 -0.14 0.00 -4.31 0.00 0.00 34.13 29.74 2wr5 s GLU 393 CO 0.14 -0.21 0.01 0.00 0.01 0.00 0.00 175.26 175.20 2wr5 n ALA 394 N -0.03 1.69 -0.23 5.21 0.00 -1.26 -1.96 120.51 123.92 2wr5 n ALA 394 Ca -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2wr5 n ALA 394 Cb 0.63 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2wr5 n ALA 394 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wr5 n VAL 395 N -2.55 0.00 -1.52 0.00 0.31 -1.26 -4.50 118.33 108.81 2wr5 n VAL 395 Ca -0.21 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.72 2wr5 n VAL 395 Cb 0.88 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.83 2wr5 n VAL 395 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr5 n GLY 396 N 0.00 -1.04 3.22 2.92 0.00 -1.26 -5.01 105.19 104.02 2wr5 n GLY 396 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 2wr5 n GLY 396 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr5 s LYS 397 N -2.04 0.83 -0.08 1.61 -0.14 -1.26 -4.81 119.74 113.86 2wr5 s LYS 397 Ca 0.67 -0.80 0.05 0.00 -1.36 0.00 0.00 55.97 54.53 2wr5 s LYS 397 Cb -0.50 0.35 -0.01 0.00 -1.68 0.00 0.00 37.83 35.99 2wr5 s LYS 397 CO 0.55 -0.27 -0.24 -1.21 -0.76 0.00 0.00 175.35 173.42 2wr5 s GLU 398 N -3.41 2.83 -0.01 1.68 0.41 -1.26 -5.12 118.70 113.82 2wr5 s GLU 398 Ca 0.01 -0.88 0.00 0.00 -0.41 0.00 0.00 54.97 53.70 2wr5 s GLU 398 Cb 0.03 -2.26 0.01 0.00 -1.78 0.00 0.00 34.13 30.13 2wr5 s GLU 398 CO -0.09 0.28 -0.01 -0.06 -0.49 0.00 0.00 175.26 174.90 2wr5 s PHE 399 N 0.09 0.17 1.32 1.61 0.08 -1.26 -5.00 117.98 115.00 2wr5 s PHE 399 Ca -0.11 -0.01 -0.21 0.00 0.12 0.00 0.00 56.93 56.72 2wr5 s PHE 399 Cb -0.16 -0.17 0.33 0.00 -0.57 0.00 0.00 43.02 42.45 2wr5 s PHE 399 CO 0.06 -0.03 1.01 -1.54 -0.10 0.00 0.00 175.22 174.62 2wr5 s SER 400 N 0.26 -0.17 0.00 1.36 1.04 -1.26 -4.91 113.70 110.02 2wr5 s SER 400 Ca -0.02 0.76 0.29 0.00 0.48 0.00 0.00 55.95 57.46 2wr5 s SER 400 Cb -0.04 -1.07 1.34 0.00 0.10 0.00 0.00 66.02 66.34 2wr5 s SER 400 CO -0.01 -4.81 1.92 -0.46 0.98 0.00 0.00 173.24 170.87 2wr5 n ASN 401 N -5.24 0.57 -1.58 7.02 6.94 -1.26 -2.55 115.26 119.16 2wr5 n ASN 401 Ca 0.13 -0.84 0.00 0.00 -0.02 0.00 0.00 54.58 53.85 2wr5 n ASN 401 Cb 0.60 -0.04 0.30 0.00 -2.36 0.00 0.00 39.78 38.27 2wr5 n ASN 401 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wr5 n LEU 402 N -0.75 5.21 -2.13 -4.53 4.77 -1.26 -4.31 117.00 114.00 2wr5 n LEU 402 Ca 0.17 -3.19 -0.09 0.00 -0.03 0.00 0.00 56.01 52.87 2wr5 n LEU 402 Cb 0.26 -0.67 0.05 0.00 -2.33 0.00 0.00 43.42 40.73 2wr5 n LEU 402 CO 0.21 0.79 0.12 -0.62 -1.33 0.00 0.00 177.39 176.56 2wr5 n GLU 403 N -0.25 2.37 -0.18 3.23 1.02 -1.06 -4.87 120.64 120.90 2wr5 n GLU 403 Ca 0.33 -3.63 -0.07 0.00 -0.02 0.00 0.00 57.16 53.76 2wr5 n GLU 403 Cb 1.18 -1.75 0.02 0.00 -0.02 0.00 0.00 31.44 30.88 2wr5 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr5 h ARG 404 N 2.11 0.71 0.11 3.49 -0.00 -1.76 -0.76 114.38 118.28 2wr5 h ARG 404 Ca 0.09 -0.05 0.01 0.00 -0.50 0.00 0.00 59.98 59.52 2wr5 h ARG 404 Cb 1.42 -0.16 -0.02 0.00 0.00 0.00 0.00 29.97 31.21 2wr5 h ARG 404 CO 0.40 0.49 -0.15 0.00 0.00 0.00 0.00 179.97 180.71 2wr5 h ARG 405 N 0.72 -0.30 -0.55 0.04 3.08 -1.96 0.78 114.38 116.20 2wr5 h ARG 405 Ca 0.19 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.31 2wr5 h ARG 405 Cb -0.05 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 2wr5 h ARG 405 CO -0.04 -0.20 0.28 1.25 -1.07 0.00 0.00 179.97 180.19 2wr5 h LEU 406 N -0.31 0.40 -1.05 3.04 5.85 -1.87 0.26 115.31 121.64 2wr5 h LEU 406 Ca 0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2wr5 h LEU 406 Cb 0.32 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2wr5 h LEU 406 CO -0.07 0.27 0.57 -0.08 -0.34 0.00 0.00 178.44 178.79 2wr5 h GLU 407 N 0.54 1.22 0.00 1.25 4.81 -0.93 -1.30 114.58 120.17 2wr5 h GLU 407 Ca 0.24 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 2wr5 h GLU 407 Cb 0.15 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2wr5 h GLU 407 CO -0.17 0.83 -0.42 -0.97 -0.73 0.00 0.00 179.01 177.55 2wr5 h ASN 408 N 1.24 0.00 -0.34 1.04 -0.73 0.31 -0.94 115.58 116.17 2wr5 h ASN 408 Ca 0.33 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.46 2wr5 h ASN 408 Cb -0.09 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 2wr5 h ASN 408 CO -0.07 0.42 0.05 0.25 -0.37 0.00 0.00 177.43 177.72 2wr5 h LEU 409 N 0.00 0.54 -0.65 0.34 6.46 0.30 -1.10 115.31 121.19 2wr5 h LEU 409 Ca -0.00 -0.26 -0.10 0.00 -0.12 0.00 0.00 57.88 57.40 2wr5 h LEU 409 Cb 0.77 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 2wr5 h LEU 409 CO 0.05 0.66 -0.03 -1.13 -0.62 0.00 0.00 178.44 177.38 2wr5 h ASN 410 N 0.39 1.00 -0.41 1.25 -0.73 -0.82 -2.65 115.58 113.62 2wr5 h ASN 410 Ca 0.10 -0.29 -0.04 0.00 1.87 0.00 0.00 56.30 57.94 2wr5 h ASN 410 Cb 0.35 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 2wr5 h ASN 410 CO 0.01 1.07 0.09 0.50 -0.37 0.00 0.00 177.43 178.73 2wr5 h LYS 411 N 0.93 0.66 -0.09 6.67 3.64 -1.08 -1.56 116.57 125.74 2wr5 h LYS 411 Ca 0.16 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2wr5 h LYS 411 Cb 0.58 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2wr5 h LYS 411 CO 0.03 0.69 0.10 -0.22 -2.27 0.00 0.00 179.45 177.78 2wr5 h LYS 412 N 0.52 0.00 0.08 1.90 1.63 -1.05 -1.49 116.57 118.15 2wr5 h LYS 412 Ca 0.13 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.74 2wr5 h LYS 412 Cb 0.33 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2wr5 h LYS 412 CO 0.00 0.00 -0.96 1.98 -3.45 0.00 0.00 179.45 177.02 2wr5 h MET 413 N 0.00 0.16 -0.49 1.90 4.05 -1.07 -2.50 114.93 116.98 2wr5 h MET 413 Ca 0.04 -0.28 0.01 0.00 -0.28 0.00 0.00 59.70 59.20 2wr5 h MET 413 Cb 0.24 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 2wr5 h MET 413 CO -0.00 1.13 0.32 0.93 0.23 0.00 0.00 176.91 179.53 2wr5 h GLU 414 N -0.58 0.61 -0.19 0.39 4.39 -0.99 -1.96 114.58 116.25 2wr5 h GLU 414 Ca -0.21 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.33 2wr5 h GLU 414 Cb 1.50 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 2wr5 h GLU 414 CO 0.02 0.40 -0.35 -0.44 -1.16 0.00 0.00 179.01 177.48 2wr5 h ASP 415 N 0.63 0.64 -0.27 1.42 5.19 -1.40 -1.70 116.42 120.92 2wr5 h ASP 415 Ca 0.19 -0.54 0.06 0.00 -0.62 0.00 0.00 57.03 56.11 2wr5 h ASP 415 Cb -0.02 -0.18 -0.08 0.00 0.18 0.00 0.00 39.33 39.23 2wr5 h ASP 415 CO -0.04 1.06 -0.40 1.23 -3.12 0.00 0.00 179.24 177.97 2wr5 h GLY 416 N 0.24 -0.56 1.43 2.75 0.00 -0.96 0.12 103.07 106.09 2wr5 h GLY 416 Ca 0.01 0.50 -0.09 0.00 0.00 0.00 0.00 47.33 47.75 2wr5 h GLY 416 CO 0.08 -0.21 -0.15 0.74 0.00 0.00 0.00 176.54 177.00 2wr5 h PHE 417 N -0.39 0.74 -0.38 5.60 -1.00 -1.38 -1.41 116.94 118.72 2wr5 h PHE 417 Ca 0.11 -0.14 0.02 0.00 2.81 0.00 0.00 57.97 60.78 2wr5 h PHE 417 Cb 0.59 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 2wr5 h PHE 417 CO -0.53 0.78 0.20 1.25 -1.61 0.00 0.00 178.31 178.40 2wr5 h LEU 418 N 0.60 0.31 -0.19 1.54 5.85 -0.77 0.12 115.31 122.78 2wr5 h LEU 418 Ca 0.10 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2wr5 h LEU 418 Cb 0.60 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2wr5 h LEU 418 CO 0.04 0.23 0.08 0.44 -0.34 0.00 0.00 178.44 178.89 2wr5 h ASP 419 N 0.41 0.26 0.30 1.25 5.19 -0.42 -1.61 116.42 121.80 2wr5 h ASP 419 Ca 0.15 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2wr5 h ASP 419 Cb 0.04 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2wr5 h ASP 419 CO -0.09 0.33 -0.27 0.58 -3.12 0.00 0.00 179.24 176.67 2wr5 h VAL 420 N 0.16 0.44 -0.78 -1.35 2.07 -1.00 -2.07 116.25 113.72 2wr5 h VAL 420 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2wr5 h VAL 420 Cb 0.15 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2wr5 h VAL 420 CO -0.01 0.00 0.44 -0.50 0.02 0.00 0.00 177.57 177.52 2wr5 h TRP 421 N -0.58 1.05 0.24 1.57 4.06 -0.73 -1.38 115.95 120.19 2wr5 h TRP 421 Ca -0.02 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 2wr5 h TRP 421 Cb 0.52 -0.34 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 2wr5 h TRP 421 CO -0.16 0.72 -0.12 1.15 -3.56 0.00 0.00 178.44 176.48 2wr5 h THR 422 N 1.08 0.80 -0.05 1.49 2.02 -1.21 -0.03 112.91 117.02 2wr5 h THR 422 Ca 0.28 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.20 2wr5 h THR 422 Cb 0.01 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 2wr5 h THR 422 CO -0.05 0.06 -0.12 0.22 0.37 0.00 0.00 175.52 176.01 2wr5 h TYR 423 N -0.47 -0.31 -0.59 3.16 3.20 -1.13 -0.72 116.97 120.10 2wr5 h TYR 423 Ca -0.03 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.87 2wr5 h TYR 423 Cb 0.36 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2wr5 h TYR 423 CO -0.02 -0.18 0.37 -0.91 -1.64 0.00 0.00 178.16 175.78 2wr5 h ASN 424 N -0.18 0.62 -0.33 -2.11 4.21 -1.19 -1.06 115.58 115.53 2wr5 h ASN 424 Ca 0.06 -0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.54 2wr5 h ASN 424 Cb 0.26 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 2wr5 h ASN 424 CO -0.16 0.44 0.11 0.00 -1.29 0.00 0.00 177.43 176.53 2wr5 h ALA 425 N 1.24 0.43 -0.20 -0.83 0.00 -0.72 0.63 119.26 119.82 2wr5 h ALA 425 Ca 0.23 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2wr5 h ALA 425 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2wr5 h ALA 425 CO -0.08 0.06 0.07 0.93 0.00 0.00 0.00 179.25 180.23 2wr5 h GLU 426 N 0.38 0.16 -0.03 0.00 4.39 -0.85 -1.45 114.58 117.19 2wr5 h GLU 426 Ca 0.11 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.64 2wr5 h GLU 426 Cb 0.23 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2wr5 h GLU 426 CO -0.00 0.11 -0.69 -0.07 -1.16 0.00 0.00 179.01 177.19 2wr5 h LEU 427 N 0.17 0.16 0.02 1.33 4.07 -1.15 -2.10 115.31 117.81 2wr5 h LEU 427 Ca 0.09 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2wr5 h LEU 427 Cb 0.06 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 2wr5 h LEU 427 CO -0.09 0.80 -0.01 0.25 -1.08 0.00 0.00 178.44 178.31 2wr5 h LEU 428 N 0.09 -0.03 -0.10 1.67 5.85 -0.58 0.30 115.31 122.51 2wr5 h LEU 428 Ca -0.01 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2wr5 h LEU 428 Cb 1.23 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2wr5 h LEU 428 CO 0.10 -0.02 -0.03 0.58 -0.34 0.00 0.00 178.44 178.74 2wr5 h VAL 429 N -0.03 0.90 0.20 1.05 2.07 -1.15 0.19 116.25 119.47 2wr5 h VAL 429 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2wr5 h VAL 429 Cb 0.03 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2wr5 h VAL 429 CO 0.00 0.00 -0.24 -0.07 0.02 0.00 0.00 177.57 177.28 2wr5 h LEU 430 N -0.00 -0.66 0.07 2.57 3.38 -1.25 0.18 115.31 119.59 2wr5 h LEU 430 Ca 0.05 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wr5 h LEU 430 Cb 0.07 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wr5 h LEU 430 CO -0.10 -0.34 -0.04 0.24 0.09 0.00 0.00 178.44 178.28 2wr5 h MET 431 N -0.49 -0.11 0.00 1.13 2.86 -0.83 -2.07 114.93 115.42 2wr5 h MET 431 Ca 0.01 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 2wr5 h MET 431 Cb 0.47 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2wr5 h MET 431 CO -0.08 -0.07 -0.25 0.93 1.06 0.00 0.00 176.91 178.50 2wr5 h GLU 432 N -0.11 0.00 -0.42 1.72 4.39 -0.54 -2.54 114.58 117.08 2wr5 h GLU 432 Ca -0.01 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 2wr5 h GLU 432 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2wr5 h GLU 432 CO 0.01 0.25 -0.13 -0.91 -1.16 0.00 0.00 179.01 177.07 2wr5 h ASN 433 N 0.00 0.85 -0.56 1.42 2.35 -0.42 -1.92 115.58 117.28 2wr5 h ASN 433 Ca -0.00 -0.37 0.06 0.00 -0.55 0.00 0.00 56.30 55.44 2wr5 h ASN 433 Cb 0.55 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 2wr5 h ASN 433 CO 0.03 1.03 0.37 -0.08 -1.65 0.00 0.00 177.43 177.13 2wr5 h GLU 434 N 0.66 0.50 0.00 0.81 4.22 -0.96 -2.62 114.58 117.19 2wr5 h GLU 434 Ca 0.10 -0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.36 2wr5 h GLU 434 Cb 0.67 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2wr5 h GLU 434 CO 0.05 0.33 -1.22 0.00 -2.18 0.00 0.00 179.01 175.99 2wr5 h ARG 435 N 0.52 0.00 0.13 1.92 3.08 -1.35 -2.86 114.38 115.81 2wr5 h ARG 435 Ca 0.24 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2wr5 h ARG 435 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2wr5 h ARG 435 CO -0.07 0.32 -0.06 1.15 -1.07 0.00 0.00 179.97 180.24 2wr5 h THR 436 N 0.00 1.04 -0.31 2.04 2.02 -1.04 0.16 112.91 116.82 2wr5 h THR 436 Ca -0.12 -0.81 0.07 0.00 0.77 0.00 0.00 66.41 66.32 2wr5 h THR 436 Cb 1.52 1.54 -0.08 0.00 -1.74 0.00 0.00 68.15 69.39 2wr5 h THR 436 CO 0.05 0.19 -0.23 -0.07 0.37 0.00 0.00 175.52 175.83 2wr5 h LEU 437 N -0.56 -0.75 -1.91 2.58 3.38 -1.60 -1.24 115.31 115.21 2wr5 h LEU 437 Ca -0.02 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2wr5 h LEU 437 Cb 0.44 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2wr5 h LEU 437 CO 0.03 -0.26 -0.12 0.44 0.09 0.00 0.00 178.44 178.62 2wr5 h ASP 438 N -0.20 0.00 0.44 -0.43 3.32 -1.45 -1.03 116.42 117.07 2wr5 h ASP 438 Ca 0.16 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2wr5 h ASP 438 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2wr5 h ASP 438 CO -0.43 0.12 -0.21 0.15 -1.72 0.00 0.00 179.24 177.16 2wr5 h PHE 439 N 0.00 -0.54 -0.41 4.55 3.57 0.15 -1.62 116.94 122.63 2wr5 h PHE 439 Ca -0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.56 2wr5 h PHE 439 Cb 0.30 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.16 2wr5 h PHE 439 CO 0.00 -0.23 -0.01 0.45 -2.23 0.00 0.00 178.31 176.28 2wr5 h HIS 440 N -0.83 -0.04 -0.33 0.41 3.86 -0.76 -0.93 115.15 116.54 2wr5 h HIS 440 Ca -0.06 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.25 2wr5 h HIS 440 Cb 0.55 0.08 -0.08 0.00 1.06 0.00 0.00 27.41 29.02 2wr5 h HIS 440 CO 0.00 -0.09 -0.29 0.22 0.86 0.00 0.00 177.93 178.63 2wr5 h ASP 441 N 0.09 -0.95 -0.67 2.45 -0.00 -1.22 0.54 116.42 116.67 2wr5 h ASP 441 Ca 0.20 0.17 0.13 0.00 -0.00 0.00 0.00 57.03 57.53 2wr5 h ASP 441 Cb 0.29 0.45 -0.10 0.00 -0.00 0.00 0.00 39.33 39.98 2wr5 h ASP 441 CO -0.35 -0.31 0.17 -1.28 -0.00 0.00 0.00 179.24 177.48 2wr5 h SER 442 N -0.26 0.05 -0.48 2.28 0.87 -0.59 -2.02 113.55 113.41 2wr5 h SER 442 Ca 0.16 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2wr5 h SER 442 Cb 0.51 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 2wr5 h SER 442 CO -0.47 0.01 0.31 0.78 -0.53 0.00 0.00 176.83 176.93 2wr5 h ASN 443 N 0.30 0.56 0.44 6.23 2.35 0.44 -1.19 115.58 124.72 2wr5 h ASN 443 Ca 0.36 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 56.06 2wr5 h ASN 443 Cb 0.57 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2wr5 h ASN 443 CO -0.44 0.43 -0.21 0.58 -1.65 0.00 0.00 177.43 176.14 2wr5 h VAL 444 N 0.65 0.57 -0.84 2.81 2.07 -1.21 -0.82 116.25 119.48 2wr5 h VAL 444 Ca 0.18 -0.05 0.21 0.00 0.82 0.00 0.00 66.70 67.85 2wr5 h VAL 444 Cb -0.05 0.59 -0.13 0.00 -1.52 0.00 0.00 31.29 30.19 2wr5 h VAL 444 CO -0.04 0.01 0.25 0.50 0.02 0.00 0.00 177.57 178.31 2wr5 h LYS 445 N -0.62 0.26 0.00 1.57 1.63 -1.17 0.29 116.57 118.53 2wr5 h LYS 445 Ca -0.06 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.60 2wr5 h LYS 445 Cb 0.47 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 2wr5 h LYS 445 CO 0.10 0.17 -0.61 -0.91 -3.45 0.00 0.00 179.45 174.76 2wr5 h ASN 446 N 0.27 0.00 -0.27 4.20 2.35 -1.00 -1.96 115.58 119.18 2wr5 h ASN 446 Ca 0.51 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 56.09 2wr5 h ASN 446 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 2wr5 h ASN 446 CO -0.58 0.61 -0.48 0.25 -1.65 0.00 0.00 177.43 175.57 2wr5 h LEU 447 N 0.00 0.89 -0.21 1.61 5.85 0.33 -0.30 115.31 123.47 2wr5 h LEU 447 Ca -0.01 -0.53 0.04 0.00 0.84 0.00 0.00 57.88 58.22 2wr5 h LEU 447 Cb 1.17 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 2wr5 h LEU 447 CO 0.08 1.25 -0.01 0.22 -0.34 0.00 0.00 178.44 179.64 2wr5 h TYR 448 N 0.55 -0.02 0.00 1.25 3.20 -0.92 -2.28 116.97 118.75 2wr5 h TYR 448 Ca 0.01 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 2wr5 h TYR 448 Cb 1.09 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 2wr5 h TYR 448 CO 0.08 -0.04 -0.26 -0.44 -1.64 0.00 0.00 178.16 175.86 2wr5 h ASP 449 N 0.06 0.00 0.83 -2.11 3.32 -1.24 -1.70 116.42 115.58 2wr5 h ASP 449 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2wr5 h ASP 449 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2wr5 h ASP 449 CO -0.18 0.26 0.00 1.17 -1.72 0.00 0.00 179.24 178.77 2wr5 n LYS 450 N -3.94 0.20 -0.12 3.56 4.81 -0.13 -1.34 118.16 121.19 2wr5 n LYS 450 Ca -0.02 0.38 -0.26 0.00 -0.87 0.00 0.00 58.31 57.55 2wr5 n LYS 450 Cb 0.34 -1.85 -0.11 0.00 0.02 0.00 0.00 35.03 33.43 2wr5 n LYS 450 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wr5 n VAL 451 N -2.21 1.54 0.08 3.15 0.31 -0.83 -4.10 118.33 116.27 2wr5 n VAL 451 Ca 0.03 -0.30 0.13 0.00 -0.01 0.00 0.00 64.34 64.19 2wr5 n VAL 451 Cb 0.26 -1.89 0.62 0.00 -0.91 0.00 0.00 33.84 31.92 2wr5 n VAL 451 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wr5 h ARG 452 N -0.86 0.10 0.00 5.55 2.43 -1.21 0.12 114.38 120.50 2wr5 h ARG 452 Ca -0.57 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 2wr5 h ARG 452 Cb 1.56 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 2wr5 h ARG 452 CO -0.30 0.07 -0.17 -1.33 -1.51 0.00 0.00 179.97 176.73 2wr5 n MET 453 N -4.46 0.12 -0.04 0.20 2.81 -0.45 -2.70 117.12 112.60 2wr5 n MET 453 Ca 0.05 0.07 0.05 0.00 -1.81 0.00 0.00 57.70 56.06 2wr5 n MET 453 Cb 0.35 -1.61 -0.17 0.00 -0.71 0.00 0.00 33.22 31.08 2wr5 n MET 453 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2wr5 n GLN 454 N -1.81 0.67 -0.09 0.03 7.27 0.27 -4.65 117.38 119.08 2wr5 n GLN 454 Ca 0.06 -0.15 -0.08 0.00 0.07 0.00 0.00 57.00 56.90 2wr5 n GLN 454 Cb 0.38 -1.52 -0.03 0.00 2.41 0.00 0.00 30.24 31.48 2wr5 n GLN 454 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2wr5 n LEU 455 N -2.40 1.90 0.00 1.69 4.77 -0.42 -4.64 117.00 117.90 2wr5 n LEU 455 Ca -0.12 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2wr5 n LEU 455 Cb 0.74 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2wr5 n LEU 455 CO 0.45 -0.31 0.00 0.54 -1.33 0.00 0.00 177.39 176.74 2wr5 n ARG 456 N -4.50 0.00 -0.31 3.23 1.74 -1.10 -2.68 116.66 113.03 2wr5 n ARG 456 Ca -0.13 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.11 2wr5 n ARG 456 Cb 0.45 0.00 0.35 0.00 -1.02 0.00 0.00 32.46 32.24 2wr5 n ARG 456 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2wr5 h ASP 457 N 0.00 0.34 0.13 0.55 5.19 -1.96 -1.95 116.42 118.72 2wr5 h ASP 457 Ca 0.00 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 2wr5 h ASP 457 Cb 0.00 0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.66 2wr5 h ASP 457 CO 0.00 -0.05 0.00 0.59 -3.12 0.00 0.00 179.24 176.66 2wr5 n ASN 458 N -5.06 0.00 -3.75 6.45 3.02 -1.09 -4.71 115.26 110.12 2wr5 n ASN 458 Ca 0.24 0.28 -0.10 0.00 -0.03 0.00 0.00 54.58 54.98 2wr5 n ASN 458 Cb 0.74 -0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 39.50 2wr5 n ASN 458 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2wr5 s VAL 459 N -2.68 0.10 -0.09 2.41 -7.23 -0.73 -1.34 120.40 110.84 2wr5 s VAL 459 Ca 0.05 -0.85 -0.00 0.00 -1.81 0.00 0.00 61.98 59.37 2wr5 s VAL 459 Cb 0.04 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.74 2wr5 s VAL 459 CO 0.09 -0.47 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.60 2wr5 s LYS 460 N -3.67 2.95 -0.19 4.82 2.20 -0.32 -4.72 119.74 120.82 2wr5 s LYS 460 Ca 0.03 -0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 2wr5 s LYS 460 Cb 0.03 -2.65 -0.01 0.00 -1.51 0.00 0.00 37.83 33.69 2wr5 s LYS 460 CO -0.10 0.56 1.21 -1.21 -0.36 0.00 0.00 175.35 175.45 2wr5 s GLU 461 N -0.53 4.22 -0.07 4.03 2.02 -1.26 -1.49 118.70 125.61 2wr5 s GLU 461 Ca 0.08 1.57 -0.06 0.00 0.02 0.00 0.00 54.97 56.57 2wr5 s GLU 461 Cb -0.12 -3.74 -0.02 0.00 0.10 0.00 0.00 34.13 30.35 2wr5 s GLU 461 CO 0.02 -0.71 -0.13 1.28 0.02 0.00 0.00 175.26 175.74 2wr5 n LEU 462 N 6.60 0.85 0.00 1.80 7.99 -0.14 -4.99 117.00 129.10 2wr5 n LEU 462 Ca 0.13 0.26 0.00 0.00 -0.01 0.00 0.00 56.01 56.40 2wr5 n LEU 462 Cb 0.45 -0.63 0.00 0.00 -0.11 0.00 0.00 43.42 43.13 2wr5 n LEU 462 CO 0.55 -0.43 0.00 0.61 -1.51 0.00 0.00 177.39 176.61 2wr5 n GLY 463 N 1.57 0.98 3.46 -0.72 0.00 -1.25 -4.98 105.19 104.24 2wr5 n GLY 463 Ca -0.05 0.42 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 2wr5 n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr5 n ASN 464 N 0.00 2.13 -0.76 1.61 0.23 -1.25 -3.85 115.26 113.36 2wr5 n ASN 464 Ca 0.00 -2.60 -0.08 0.00 -0.53 0.00 0.00 54.58 51.37 2wr5 n ASN 464 Cb 0.00 -1.38 -0.02 0.00 -2.08 0.00 0.00 39.78 36.30 2wr5 n ASN 464 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr5 n GLY 465 N 5.47 0.52 3.59 4.83 0.00 -1.26 -4.75 105.19 113.58 2wr5 n GLY 465 Ca 0.45 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2wr5 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr5 s PHE 467 N -0.91 2.66 -0.26 0.00 0.40 0.44 -0.97 117.98 119.35 2wr5 s PHE 467 Ca 0.15 -1.21 -0.15 0.00 -0.60 0.00 0.00 56.93 55.11 2wr5 s PHE 467 Cb -0.11 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 2wr5 s PHE 467 CO 0.05 -0.54 0.39 -2.00 0.70 0.00 0.00 175.22 173.82 2wr5 s GLU 468 N 0.68 4.05 0.26 0.44 2.12 -0.56 -0.96 118.70 124.74 2wr5 s GLU 468 Ca -0.10 0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.03 2wr5 s GLU 468 Cb -0.16 -3.63 -0.09 0.00 0.26 0.00 0.00 34.13 30.51 2wr5 s GLU 468 CO 0.01 -0.23 1.21 -0.06 -0.54 0.00 0.00 175.26 175.65 2wr5 s PHE 469 N 1.93 3.35 -1.02 5.30 0.40 -1.26 -1.17 117.98 125.51 2wr5 s PHE 469 Ca 0.16 1.49 0.08 0.00 -0.60 0.00 0.00 56.93 58.06 2wr5 s PHE 469 Cb -0.16 -3.47 0.39 0.00 0.51 0.00 0.00 43.02 40.29 2wr5 s PHE 469 CO 0.09 -1.26 1.18 0.66 0.70 0.00 0.00 175.22 176.59 2wr5 n TYR 470 N 1.60 0.90 -3.86 0.36 0.53 -0.45 -4.83 117.16 111.41 2wr5 n TYR 470 Ca 0.02 -0.33 -0.07 0.00 -1.02 0.00 0.00 57.90 56.49 2wr5 n TYR 470 Cb 0.44 -0.22 -0.02 0.00 -1.03 0.00 0.00 39.34 38.51 2wr5 n TYR 470 CO 0.00 0.00 0.00 -3.38 -1.02 0.00 0.00 176.86 172.46 2wr5 s HIS 471 N -1.78 -0.13 -0.06 -0.72 -3.43 -1.26 -4.30 115.29 103.61 2wr5 s HIS 471 Ca 0.27 -0.35 -0.30 0.00 -0.80 0.00 0.00 55.06 53.88 2wr5 s HIS 471 Cb 0.19 0.69 -0.03 0.00 -1.43 0.00 0.00 32.58 32.00 2wr5 s HIS 471 CO 0.11 -1.26 1.21 -1.59 -2.00 0.00 0.00 174.74 171.21 2wr5 s LYS 472 N -3.77 4.34 -0.27 -0.38 0.00 -1.26 -4.94 119.74 113.47 2wr5 s LYS 472 Ca 0.12 1.68 0.02 0.00 0.00 0.00 0.00 55.97 57.79 2wr5 s LYS 472 Cb -0.06 -3.57 0.07 0.00 0.00 0.00 0.00 37.83 34.28 2wr5 s LYS 472 CO 0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 175.35 174.93 2wr5 s ASP 474 N 1.25 4.29 0.00 0.00 1.47 -1.26 -4.68 116.67 117.74 2wr5 s ASP 474 Ca -0.01 -0.05 0.03 0.00 1.18 0.00 0.00 52.55 53.69 2wr5 s ASP 474 Cb -0.19 -0.36 0.18 0.00 -0.34 0.00 0.00 42.92 42.21 2wr5 s ASP 474 CO -0.08 -1.91 0.83 0.47 0.68 0.00 0.00 175.17 175.16 2wr5 n ASP 475 N -2.98 0.00 -0.10 2.11 9.92 -1.26 -1.08 116.55 123.16 2wr5 n ASP 475 Ca 0.13 0.10 -0.22 0.00 -0.53 0.00 0.00 54.79 54.28 2wr5 n ASP 475 Cb 0.60 -0.18 -0.12 0.00 -0.64 0.00 0.00 41.12 40.79 2wr5 n ASP 475 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wr5 n GLU 476 N -1.18 0.65 -0.14 -1.24 -0.58 -1.26 -3.62 120.64 113.28 2wr5 n GLU 476 Ca 0.02 0.24 -0.07 0.00 -0.42 0.00 0.00 57.16 56.92 2wr5 n GLU 476 Cb 0.02 -1.58 0.01 0.00 -0.57 0.00 0.00 31.44 29.32 2wr5 n GLU 476 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr5 h MET 478 N 0.55 -0.31 -0.81 0.00 2.86 -1.29 0.04 114.93 115.97 2wr5 h MET 478 Ca 0.16 0.02 0.20 0.00 -2.06 0.00 0.00 59.70 58.02 2wr5 h MET 478 Cb -0.04 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 2wr5 h MET 478 CO -0.05 -0.21 0.55 -0.91 1.06 0.00 0.00 176.91 177.35 2wr5 h ASN 479 N -0.33 0.24 -0.36 1.22 4.21 -1.59 -1.00 115.58 117.98 2wr5 h ASN 479 Ca 0.12 0.02 -0.11 0.00 1.21 0.00 0.00 56.30 57.54 2wr5 h ASN 479 Cb 0.51 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 2wr5 h ASN 479 CO -0.38 0.11 -0.19 0.77 -1.29 0.00 0.00 177.43 176.45 2wr5 h SER 480 N 0.25 0.78 -0.32 5.81 4.64 -0.73 -1.08 113.55 122.91 2wr5 h SER 480 Ca 0.40 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wr5 h SER 480 Cb 1.21 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2wr5 h SER 480 CO -0.10 1.02 0.17 0.58 -0.87 0.00 0.00 176.83 177.64 2wr5 h VAL 481 N 0.54 1.13 -0.35 0.95 2.07 -0.77 0.22 116.25 120.04 2wr5 h VAL 481 Ca 0.08 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.29 2wr5 h VAL 481 Cb 0.74 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2wr5 h VAL 481 CO 0.06 0.13 0.18 0.11 0.02 0.00 0.00 177.57 178.07 2wr5 h LYS 482 N 0.39 0.36 -0.02 1.57 1.57 -1.26 -2.52 116.57 116.65 2wr5 h LYS 482 Ca 0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2wr5 h LYS 482 Cb 0.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2wr5 h LYS 482 CO -0.02 0.24 0.00 0.27 -0.57 0.00 0.00 179.45 179.37 2wr5 n ASN 483 N -4.93 0.62 0.00 0.86 0.23 -0.42 -4.92 115.26 106.70 2wr5 n ASN 483 Ca 0.01 -1.29 0.00 0.00 -0.53 0.00 0.00 54.58 52.76 2wr5 n ASN 483 Cb 0.08 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 2wr5 n ASN 483 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr5 n GLY 484 N 1.03 0.54 0.01 4.83 0.00 -0.57 -4.96 105.19 106.07 2wr5 n GLY 484 Ca 0.20 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.44 2wr5 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr5 n THR 485 N -2.88 0.00 -0.77 2.61 -2.24 0.68 -5.01 114.28 106.67 2wr5 n THR 485 Ca 0.00 -0.27 -0.27 0.00 -2.27 0.00 0.00 64.05 61.23 2wr5 n THR 485 Cb 0.06 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 2wr5 n THR 485 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wr5 n TYR 486 N -1.89 -0.12 -4.80 4.78 9.36 -0.89 -4.94 117.16 118.66 2wr5 n TYR 486 Ca -0.02 0.54 -0.33 0.00 3.32 0.00 0.00 57.90 61.41 2wr5 n TYR 486 Cb 0.31 -1.08 -0.14 0.00 -0.63 0.00 0.00 39.34 37.80 2wr5 n TYR 486 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 2wr5 s ASP 487 N -0.42 3.99 0.03 2.98 3.84 -1.26 -4.99 116.67 120.85 2wr5 s ASP 487 Ca 0.38 -0.32 -0.25 0.00 -0.00 0.00 0.00 52.55 52.35 2wr5 s ASP 487 Cb -0.55 -1.55 -0.17 0.00 -1.38 0.00 0.00 42.92 39.27 2wr5 s ASP 487 CO 0.30 0.18 1.43 0.22 -0.00 0.00 0.00 175.17 177.30 2wr5 h TYR 488 N 6.60 -0.19 -0.55 2.11 3.20 -1.92 -3.34 116.97 122.88 2wr5 h TYR 488 Ca -0.27 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.71 2wr5 h TYR 488 Cb 1.21 0.06 -0.11 0.00 1.54 0.00 0.00 36.73 39.43 2wr5 h TYR 488 CO 0.50 0.09 -0.19 -1.35 -1.64 0.00 0.00 178.16 175.57 2wr5 h PRO 489 N -0.45 -0.06 -0.56 1.82 0.11 -1.98 -2.85 132.00 128.03 2wr5 h PRO 489 Ca -0.02 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.18 2wr5 h PRO 489 Cb 0.36 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 31.38 2wr5 h PRO 489 CO 0.03 -0.04 -0.43 -0.22 -0.21 0.00 0.00 178.00 177.13 2wr5 h LYS 490 N -0.06 -0.23 -3.75 1.05 3.64 -2.02 -3.31 116.57 111.90 2wr5 h LYS 490 Ca 0.26 0.02 -0.75 0.00 -1.27 0.00 0.00 60.65 58.90 2wr5 h LYS 490 Cb 0.46 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.18 2wr5 h LYS 490 CO -0.60 -0.15 1.92 0.66 -2.27 0.00 0.00 179.45 179.01 2wr5 n TYR 491 N -5.41 3.32 -0.59 1.91 4.01 -1.07 -4.77 117.16 114.56 2wr5 n TYR 491 Ca 0.01 -2.89 -0.17 0.00 -0.16 0.00 0.00 57.90 54.69 2wr5 n TYR 491 Cb 0.35 -2.00 0.12 0.00 -0.31 0.00 0.00 39.34 37.50 2wr5 n TYR 491 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wr5 n GLU 492 N 4.24 1.89 -2.20 -0.72 -0.58 -1.25 -4.83 120.64 117.20 2wr5 n GLU 492 Ca 0.39 -2.12 -0.43 0.00 -0.42 0.00 0.00 57.16 54.58 2wr5 n GLU 492 Cb 0.37 -1.83 -0.02 0.00 -0.57 0.00 0.00 31.44 29.39 2wr5 n GLU 492 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2wr5 s GLU 493 N -2.34 3.40 -0.97 3.49 2.02 -1.26 -4.94 118.70 118.10 2wr5 s GLU 493 Ca 0.40 1.07 -0.03 0.00 0.02 0.00 0.00 54.97 56.43 2wr5 s GLU 493 Cb 0.34 -4.12 0.27 0.00 0.10 0.00 0.00 34.13 30.71 2wr5 s GLU 493 CO 0.07 -1.78 1.09 0.39 0.02 0.00 0.00 175.26 175.04 2wr5 n GLU 494 N 8.33 3.43 -1.11 1.61 1.02 -1.26 -4.72 120.64 127.95 2wr5 n GLU 494 Ca 0.19 -4.53 -0.33 0.00 -0.02 0.00 0.00 57.16 52.46 2wr5 n GLU 494 Cb 0.48 -2.45 -0.02 0.00 -0.02 0.00 0.00 31.44 29.42 2wr5 n GLU 494 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2wr5 n SER 495 N 1.81 5.47 0.00 1.62 7.64 -1.26 -5.20 113.62 123.71 2wr5 n SER 495 Ca 0.25 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.60 2wr5 n SER 495 Cb 0.37 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2wr5 n SER 495 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32