#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2b s SER 2 N 0.00 4.82 0.26 8.00 1.04 -1.26 -5.02 113.70 121.54 1w2b s SER 2 Ca 0.00 -0.34 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 1w2b s SER 2 Cb 0.00 -1.05 0.44 0.00 0.10 0.00 0.00 66.02 65.51 1w2b s SER 2 CO 0.00 0.11 1.59 0.50 0.98 0.00 0.00 173.24 176.42 1w2b h LYS 3 N 2.90 0.01 -0.70 4.02 3.64 -2.07 0.30 116.57 124.68 1w2b h LYS 3 Ca -0.47 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1w2b h LYS 3 Cb 1.19 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1w2b h LYS 3 CO 0.58 0.01 0.39 0.87 -2.27 0.00 0.00 179.45 179.03 1w2b h LYS 4 N 0.01 0.95 -0.25 1.90 1.57 -2.01 -2.66 116.57 116.09 1w2b h LYS 4 Ca 0.45 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 59.19 1w2b h LYS 4 Cb 0.73 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1w2b h LYS 4 CO -0.89 0.69 0.17 -0.22 -0.57 0.00 0.00 179.45 178.64 1w2b h LYS 5 N 0.97 0.08 -0.21 3.15 1.63 -0.80 -1.49 116.57 119.89 1w2b h LYS 5 Ca 0.25 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1w2b h LYS 5 Cb 0.01 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1w2b h LYS 5 CO -0.04 0.05 0.00 0.54 -3.45 0.00 0.00 179.45 176.55 1w2b n ARG 6 N -4.48 1.95 0.20 1.90 1.74 -1.00 -4.27 116.66 112.70 1w2b n ARG 6 Ca 0.03 -1.43 0.14 0.00 -0.77 0.00 0.00 57.85 55.82 1w2b n ARG 6 Cb 0.27 -1.43 0.54 0.00 -1.02 0.00 0.00 32.46 30.82 1w2b n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1w2b h GLN 7 N 2.89 0.00 -6.43 5.56 1.08 -1.27 -3.44 115.11 113.51 1w2b h GLN 7 Ca 0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 1w2b h GLN 7 Cb 0.63 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1w2b h GLN 7 CO 0.00 0.00 0.80 1.03 -0.95 0.00 0.00 178.83 179.71 1w2b s ARG 8 N -3.44 4.29 0.00 1.46 1.81 -1.26 -2.54 118.95 119.27 1w2b s ARG 8 Ca 0.04 2.01 0.00 0.00 -1.72 0.00 0.00 55.73 56.06 1w2b s ARG 8 Cb 0.09 -3.48 0.00 0.00 -0.45 0.00 0.00 34.95 31.11 1w2b s ARG 8 CO 0.51 -0.54 0.00 0.41 -0.68 0.00 0.00 175.30 175.00 1w2b n GLY 9 N 3.61 0.41 0.64 -3.53 0.00 -1.26 -4.90 105.19 100.16 1w2b n GLY 9 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1w2b n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1w2b n SER 10 N 0.00 1.92 0.00 1.61 3.41 -1.05 -4.95 113.62 114.56 1w2b n SER 10 Ca 0.00 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 1w2b n SER 10 Cb 0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1w2b n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1w2b n ARG 11 N 0.49 0.00 -0.33 4.33 0.63 -1.26 -3.47 116.66 117.05 1w2b n ARG 11 Ca 0.17 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.21 1w2b n ARG 11 Cb 0.38 0.00 0.30 0.00 0.45 0.00 0.00 32.46 33.59 1w2b n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1w2b n THR 12 N 0.00 0.92 -2.87 5.15 -2.24 -1.26 -4.96 114.28 109.02 1w2b n THR 12 Ca 0.00 -0.96 -0.11 0.00 -2.27 0.00 0.00 64.05 60.71 1w2b n THR 12 Cb 0.00 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 68.79 1w2b n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1w2b n HIS 13 N 1.57 -1.59 -0.31 4.78 8.25 -1.23 0.69 115.22 127.39 1w2b n HIS 13 Ca 0.23 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1w2b n HIS 13 Cb 0.61 -1.13 0.00 0.00 1.12 0.00 0.00 29.99 30.59 1w2b n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1w2b n GLY 14 N -0.61 0.86 0.57 -1.41 0.00 -1.26 -4.94 105.19 98.40 1w2b n GLY 14 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1w2b n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w2b n GLY 15 N -2.00 1.54 7.00 -0.02 0.00 0.22 -4.98 105.19 106.94 1w2b n GLY 15 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1w2b n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w2b n GLY 16 N 0.04 2.88 3.71 -0.02 0.00 -1.26 -4.47 105.19 106.08 1w2b n GLY 16 Ca 0.02 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1w2b n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1w2b n SER 17 N 2.74 3.23 0.00 1.61 2.88 -1.26 -4.79 113.62 118.04 1w2b n SER 17 Ca 0.00 1.17 0.01 0.00 -1.33 0.00 0.00 58.87 58.71 1w2b n SER 17 Cb 0.00 -1.52 0.03 0.00 -0.75 0.00 0.00 64.21 61.97 1w2b n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1w2b n HIS 18 N 1.44 0.00 1.39 0.66 -0.00 -1.26 0.54 115.22 118.00 1w2b n HIS 18 Ca 0.08 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.89 1w2b n HIS 18 Cb 0.35 -0.43 0.38 0.00 -0.00 0.00 0.00 29.99 30.28 1w2b n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1w2b n LYS 19 N -1.43 1.54 0.00 -1.40 5.02 -1.26 -4.55 118.16 116.08 1w2b n LYS 19 Ca 0.00 -0.82 0.00 0.00 -2.02 0.00 0.00 58.31 55.47 1w2b n LYS 19 Cb 0.01 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1w2b n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1w2b n ASN 20 N 0.06 0.00 -4.57 4.39 3.02 0.19 -4.76 115.26 113.59 1w2b n ASN 20 Ca 0.15 0.16 -0.18 0.00 -0.03 0.00 0.00 54.58 54.68 1w2b n ASN 20 Cb 0.25 -0.28 -0.08 0.00 -0.61 0.00 0.00 39.78 39.07 1w2b n ASN 20 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1w2b s ARG 21 N -0.55 1.71 0.00 3.52 0.52 -1.26 -4.71 118.95 118.17 1w2b s ARG 21 Ca 0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 1w2b s ARG 21 Cb 0.00 -4.95 0.00 0.00 0.52 0.00 0.00 34.95 30.52 1w2b s ARG 21 CO 0.00 -4.60 0.00 0.54 0.02 0.00 0.00 175.30 171.26 1w2b n ARG 22 N 8.54 0.00 0.00 3.54 1.74 -1.26 -5.14 116.66 124.08 1w2b n ARG 22 Ca 0.44 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1w2b n ARG 22 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 1w2b n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1w2b n GLY 23 N 4.81 -0.25 0.12 -0.13 0.00 -1.26 -4.92 105.19 103.56 1w2b n GLY 23 Ca 0.00 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.50 1w2b n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2b n ALA 24 N -3.00 1.94 -0.25 4.61 0.00 -1.26 -2.81 120.51 119.73 1w2b n ALA 24 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.51 1w2b n ALA 24 Cb 0.00 -1.42 0.27 0.00 0.00 0.00 0.00 19.45 18.29 1w2b n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1w2b h GLY 25 N 3.27 1.16 1.89 0.00 0.00 -1.92 0.84 103.07 108.32 1w2b h GLY 25 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1w2b h GLY 25 CO 0.00 0.31 0.00 1.57 0.00 0.00 0.00 176.54 178.42 1w2b n HIS 26 N -4.47 0.00 0.37 5.60 -0.00 -1.13 0.60 115.22 116.21 1w2b n HIS 26 Ca 0.11 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.88 1w2b n HIS 26 Cb 0.16 -0.44 0.01 0.00 -0.00 0.00 0.00 29.99 29.71 1w2b n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1w2b n ARG 27 N -1.44 1.66 -2.56 1.57 1.74 0.26 -4.98 116.66 112.91 1w2b n ARG 27 Ca 0.02 -0.68 -0.10 0.00 -0.77 0.00 0.00 57.85 56.33 1w2b n ARG 27 Cb 0.09 -1.07 0.01 0.00 -1.02 0.00 0.00 32.46 30.47 1w2b n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1w2b n GLY 28 N 0.74 0.15 0.00 -0.13 0.00 0.20 -4.86 105.19 101.29 1w2b n GLY 28 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1w2b n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w2b n GLY 29 N -1.08 2.86 3.76 -0.02 0.00 -0.10 -4.67 105.19 105.93 1w2b n GLY 29 Ca -0.05 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 1w2b n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1w2b s ARG 30 N -3.65 4.42 7.24 1.61 6.06 -1.26 -4.68 118.95 128.68 1w2b s ARG 30 Ca 0.00 2.09 0.00 0.00 -2.50 0.00 0.00 55.73 55.32 1w2b s ARG 30 Cb 0.00 -3.13 0.00 0.00 0.06 0.00 0.00 34.95 31.88 1w2b s ARG 30 CO 0.00 -0.12 0.00 0.41 -2.50 0.00 0.00 175.30 173.09 1w2b n GLY 31 N 1.29 3.39 1.44 8.12 0.00 -1.26 -2.61 105.19 115.55 1w2b n GLY 31 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 1w2b n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w2b n ASP 32 N 3.48 3.77 -4.26 1.61 8.00 -1.26 -4.98 116.55 122.90 1w2b n ASP 32 Ca 0.00 -2.66 -0.33 0.00 0.71 0.00 0.00 54.79 52.51 1w2b n ASP 32 Cb 0.00 -0.64 0.15 0.00 -0.02 0.00 0.00 41.12 40.62 1w2b n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1w2b n ALA 33 N 0.17 -4.15 -1.34 2.24 0.00 -1.07 -2.25 120.51 114.10 1w2b n ALA 33 Ca 0.21 -1.22 -0.12 0.00 0.00 0.00 0.00 53.44 52.32 1w2b n ALA 33 Cb 0.92 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 1w2b n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w2b n GLY 34 N 2.11 1.13 0.00 0.00 0.00 -1.26 -4.74 105.19 102.43 1w2b n GLY 34 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1w2b n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1w2b n ARG 35 N -1.78 0.12 0.00 1.61 -4.01 -0.95 -1.08 116.66 110.57 1w2b n ARG 35 Ca -0.12 0.21 0.00 0.00 -1.04 0.00 0.00 57.85 56.90 1w2b n ARG 35 Cb 0.39 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.31 1w2b n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1w2b n ASP 36 N -1.34 0.40 0.00 2.89 5.75 -1.26 -4.11 116.55 118.89 1w2b n ASP 36 Ca 0.05 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 1w2b n ASP 36 Cb 0.10 0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1w2b n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1w2b n LYS 37 N -0.48 0.00 0.02 0.11 4.76 -0.74 -4.76 118.16 117.07 1w2b n LYS 37 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 1w2b n LYS 37 Cb 0.01 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.25 1w2b n LYS 37 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1w2b n HIS 38 N 0.00 0.06 -2.42 2.13 1.44 -1.24 -1.85 115.22 113.33 1w2b n HIS 38 Ca 0.00 0.03 -0.07 0.00 -2.01 0.00 0.00 57.72 55.67 1w2b n HIS 38 Cb 0.00 -0.40 0.05 0.00 0.12 0.00 0.00 29.99 29.76 1w2b n HIS 38 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1w2b n GLU 39 N -1.43 2.18 0.08 -1.40 1.02 -0.24 -4.76 120.64 116.07 1w2b n GLU 39 Ca -0.00 -3.55 0.10 0.00 -0.02 0.00 0.00 57.16 53.68 1w2b n GLU 39 Cb 0.16 -1.66 0.42 0.00 -0.02 0.00 0.00 31.44 30.34 1w2b n GLU 39 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1w2b n PHE 40 N -0.56 0.48 -1.73 -0.32 1.16 -0.77 -4.54 117.46 111.17 1w2b n PHE 40 Ca 0.21 0.18 -0.43 0.00 -1.87 0.00 0.00 57.45 55.54 1w2b n PHE 40 Cb 0.89 -0.80 -0.03 0.00 -1.61 0.00 0.00 39.48 37.93 1w2b n PHE 40 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 1w2b s HIS 41 N -3.18 1.38 -0.48 2.97 0.09 -1.26 -2.63 115.29 112.18 1w2b s HIS 41 Ca 0.06 0.33 -0.01 0.00 -0.00 0.00 0.00 55.06 55.44 1w2b s HIS 41 Cb 0.10 -4.03 0.00 0.00 -0.00 0.00 0.00 32.58 28.65 1w2b s HIS 41 CO 0.35 -4.14 0.15 0.09 -0.00 0.00 0.00 174.74 171.19 1w2b n ASN 42 N 10.23 -2.83 -3.96 1.40 5.03 -1.26 -5.04 115.26 118.83 1w2b n ASN 42 Ca 0.25 -0.07 -0.31 0.00 0.87 0.00 0.00 54.58 55.33 1w2b n ASN 42 Cb 0.44 -1.84 -0.15 0.00 -1.02 0.00 0.00 39.78 37.21 1w2b n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1w2b s HIS 43 N -2.64 2.85 -0.18 3.10 3.76 -1.08 -5.09 115.29 116.02 1w2b s HIS 43 Ca 0.07 -2.19 -0.42 0.00 -0.15 0.00 0.00 55.06 52.37 1w2b s HIS 43 Cb -0.03 -2.01 -0.19 0.00 1.11 0.00 0.00 32.58 31.45 1w2b s HIS 43 CO 0.09 -0.85 1.34 0.39 -0.85 0.00 0.00 174.74 174.86 1w2b n GLU 44 N 4.53 0.24 -0.96 1.40 1.02 -1.26 -4.83 120.64 120.79 1w2b n GLU 44 Ca -0.07 0.09 -0.36 0.00 -0.02 0.00 0.00 57.16 56.80 1w2b n GLU 44 Cb 0.43 -1.62 0.06 0.00 -0.02 0.00 0.00 31.44 30.28 1w2b n GLU 44 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1w2b n PRO 45 N 2.81 -0.08 -2.91 3.49 -0.04 -1.26 -4.97 135.00 132.04 1w2b n PRO 45 Ca 0.24 -0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 63.34 1w2b n PRO 45 Cb 0.05 -1.16 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 1w2b n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w2b s LEU 46 N 6.25 4.18 0.00 1.53 1.43 -1.26 -5.00 118.68 125.81 1w2b s LEU 46 Ca 0.43 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 1w2b s LEU 46 Cb -0.17 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 41.96 1w2b s LEU 46 CO 0.79 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.83 1w2b n GLY 47 N 0.10 3.61 3.92 -3.19 0.00 -1.26 -5.11 105.19 103.26 1w2b n GLY 47 Ca 0.03 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 43.97 1w2b n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w2b s LYS 48 N -2.89 3.57 -0.11 1.61 1.02 -1.26 -5.11 119.74 116.57 1w2b s LYS 48 Ca 0.00 -0.11 -0.04 0.00 0.02 0.00 0.00 55.97 55.84 1w2b s LYS 48 Cb 0.00 -2.64 0.06 0.00 -0.52 0.00 0.00 37.83 34.73 1w2b s LYS 48 CO 0.00 0.17 0.22 0.45 -0.92 0.00 0.00 175.35 175.27 1w2b s SER 49 N -3.52 0.57 0.58 2.83 0.15 -1.26 -5.13 113.70 107.91 1w2b s SER 49 Ca 0.43 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1w2b s SER 49 Cb -0.10 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1w2b s SER 49 CO 0.33 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1w2b n GLY 50 N 5.34 -0.83 3.09 9.45 0.00 -1.26 -5.00 105.19 115.97 1w2b n GLY 50 Ca -0.05 -1.11 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 1w2b n GLY 50 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1w2b n PHE 51 N -0.65 -0.14 -4.00 1.61 -0.00 -1.26 -5.17 117.46 107.84 1w2b n PHE 51 Ca 0.00 -2.50 -0.11 0.00 -0.00 0.00 0.00 57.45 54.85 1w2b n PHE 51 Cb 0.00 0.08 -0.11 0.00 -0.00 0.00 0.00 39.48 39.45 1w2b n PHE 51 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1w2b s LYS 52 N -3.39 0.36 -0.10 3.97 1.02 -1.26 -5.15 119.74 115.19 1w2b s LYS 52 Ca 0.25 -0.61 -0.04 0.00 0.02 0.00 0.00 55.97 55.59 1w2b s LYS 52 Cb 0.01 -0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 1w2b s LYS 52 CO 0.17 -0.01 0.07 1.03 -0.92 0.00 0.00 175.35 175.69 1w2b s ARG 53 N -1.37 3.19 0.04 1.68 0.52 -1.26 -5.03 118.95 116.72 1w2b s ARG 53 Ca -0.13 -0.28 -0.38 0.00 -0.52 0.00 0.00 55.73 54.43 1w2b s ARG 53 Cb -0.09 -2.98 -0.19 0.00 0.52 0.00 0.00 34.95 32.21 1w2b s ARG 53 CO -0.00 0.74 1.05 -0.35 0.02 0.00 0.00 175.30 176.75 1w2b n PRO 54 N 2.05 0.20 -0.34 3.54 -0.04 -1.26 -4.83 135.00 134.33 1w2b n PRO 54 Ca -0.19 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.46 1w2b n PRO 54 Cb 0.54 -1.53 0.30 0.00 -0.04 0.00 0.00 33.50 32.77 1w2b n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1w2b h GLN 55 N 2.98 0.66 0.00 0.54 4.20 -1.97 0.97 115.11 122.50 1w2b h GLN 55 Ca -0.48 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.19 1w2b h GLN 55 Cb 1.42 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1w2b h GLN 55 CO 0.66 0.44 0.00 0.36 -0.67 0.00 0.00 178.83 179.62 1w2b n LYS 56 N -4.83 0.81 -0.39 1.46 2.85 -1.26 -1.84 118.16 114.96 1w2b n LYS 56 Ca 0.22 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.59 1w2b n LYS 56 Cb 0.56 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.74 1w2b n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1w2b n VAL 57 N -1.05 1.21 -3.64 0.58 0.31 0.33 -4.89 118.33 111.17 1w2b n VAL 57 Ca 0.20 -1.06 -0.38 0.00 -0.01 0.00 0.00 64.34 63.08 1w2b n VAL 57 Cb 0.12 0.40 -0.12 0.00 -0.91 0.00 0.00 33.84 33.34 1w2b n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1w2b s GLN 58 N -1.22 3.47 -0.20 5.55 -0.21 -0.77 -4.95 119.66 121.33 1w2b s GLN 58 Ca 0.45 -0.63 -0.22 0.00 0.02 0.00 0.00 55.36 54.98 1w2b s GLN 58 Cb 0.25 -3.58 -0.02 0.00 1.00 0.00 0.00 33.01 30.65 1w2b s GLN 58 CO 0.28 -0.36 0.67 -1.21 -2.12 0.00 0.00 175.29 172.54 1w2b s GLU 59 N 1.65 4.21 -0.44 2.91 2.02 -1.26 -5.04 118.70 122.74 1w2b s GLU 59 Ca 0.05 0.68 -0.11 0.00 0.02 0.00 0.00 54.97 55.61 1w2b s GLU 59 Cb -0.17 -3.59 0.08 0.00 0.10 0.00 0.00 34.13 30.55 1w2b s GLU 59 CO 0.07 -0.29 0.31 -2.00 0.02 0.00 0.00 175.26 173.37 1w2b s GLU 60 N 2.07 2.74 0.04 1.61 2.12 -1.26 -4.98 118.70 121.04 1w2b s GLU 60 Ca 0.30 -1.43 -0.24 0.00 0.36 0.00 0.00 54.97 53.96 1w2b s GLU 60 Cb -0.16 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.26 1w2b s GLU 60 CO 0.10 -0.99 0.73 0.00 -0.54 0.00 0.00 175.26 174.56 1w2b s ALA 61 N 1.50 3.40 -0.01 6.30 0.00 -1.26 -0.91 121.76 130.77 1w2b s ALA 61 Ca 0.03 0.23 -0.20 0.00 0.00 0.00 0.00 51.96 52.02 1w2b s ALA 61 Cb -0.24 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1w2b s ALA 61 CO 0.04 0.09 0.58 0.00 0.00 0.00 0.00 175.76 176.46 1w2b s ALA 62 N -0.10 3.49 0.24 0.00 0.00 0.28 -4.96 121.76 120.70 1w2b s ALA 62 Ca 0.37 -0.00 0.07 0.00 0.00 0.00 0.00 51.96 52.40 1w2b s ALA 62 Cb -0.20 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 1w2b s ALA 62 CO 0.22 0.16 -0.11 0.95 0.00 0.00 0.00 175.76 176.98 1w2b s THR 63 N -0.16 1.71 -0.28 0.00 -4.23 -1.26 -0.64 115.64 110.79 1w2b s THR 63 Ca 0.30 -2.18 -0.21 0.00 -1.18 0.00 0.00 61.69 58.42 1w2b s THR 63 Cb -0.18 -2.21 0.09 0.00 1.34 0.00 0.00 72.50 71.54 1w2b s THR 63 CO 0.16 -0.47 0.79 -0.51 -0.54 0.00 0.00 174.62 174.05 1w2b s ILE 64 N -2.98 0.00 0.22 2.99 2.07 -0.95 -4.96 121.20 117.58 1w2b s ILE 64 Ca 0.26 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.42 1w2b s ILE 64 Cb 0.01 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.54 1w2b s ILE 64 CO 0.09 0.00 0.50 -1.81 -1.91 0.00 0.00 174.94 171.81 1w2b s ASP 65 N 0.85 6.55 0.38 4.50 1.01 -1.25 -1.15 116.67 127.55 1w2b s ASP 65 Ca -0.04 0.78 0.14 0.00 0.71 0.00 0.00 52.55 54.14 1w2b s ASP 65 Cb -0.05 -2.17 0.98 0.00 1.01 0.00 0.00 42.92 42.69 1w2b s ASP 65 CO -0.08 -0.07 1.83 -0.37 0.21 0.00 0.00 175.17 176.69 1w2b h VAL 66 N 1.86 0.69 -0.67 -1.27 -1.51 -1.55 -1.13 116.25 112.69 1w2b h VAL 66 Ca -0.47 -0.18 0.11 0.00 -1.23 0.00 0.00 66.70 64.94 1w2b h VAL 66 Cb 1.17 0.13 -0.12 0.00 -2.13 0.00 0.00 31.29 30.34 1w2b h VAL 66 CO 0.69 0.09 -0.34 -0.09 -1.23 0.00 0.00 177.57 176.70 1w2b h ARG 67 N 0.52 -0.12 0.78 5.19 2.43 -1.51 0.48 114.38 122.14 1w2b h ARG 67 Ca 0.50 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.64 1w2b h ARG 67 Cb 1.08 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1w2b h ARG 67 CO -0.23 -0.08 -0.37 1.49 -1.51 0.00 0.00 179.97 179.27 1w2b h GLU 68 N -0.13 -1.00 -0.57 0.20 4.81 -1.50 0.28 114.58 116.67 1w2b h GLU 68 Ca 0.26 0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.61 1w2b h GLU 68 Cb 0.56 0.23 -0.07 0.00 0.63 0.00 0.00 28.75 30.10 1w2b h GLU 68 CO -0.74 -0.67 -0.34 -0.89 -0.73 0.00 0.00 179.01 175.65 1w2b n ILE 69 N -4.94 -0.39 0.05 2.32 5.41 -0.87 -1.68 119.36 119.27 1w2b n ILE 69 Ca -0.13 1.94 -0.11 0.00 1.00 0.00 0.00 62.75 65.45 1w2b n ILE 69 Cb 0.41 -2.45 -0.05 0.00 -0.71 0.00 0.00 39.64 36.84 1w2b n ILE 69 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1w2b h ASP 70 N 0.00 -0.40 -0.17 4.38 3.58 -0.05 -2.76 116.42 120.99 1w2b h ASP 70 Ca 0.09 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.65 1w2b h ASP 70 Cb 0.23 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1w2b h ASP 70 CO -0.53 -0.19 0.34 -0.33 -2.88 0.00 0.00 179.24 175.64 1w2b h GLU 71 N -0.23 0.00 0.00 0.28 5.08 0.49 -2.16 114.58 118.04 1w2b h GLU 71 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1w2b h GLU 71 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1w2b h GLU 71 CO -0.14 0.00 -0.36 0.09 -1.00 0.00 0.00 179.01 177.60 1w2b n ASN 72 N -3.33 1.88 0.04 1.42 3.02 -0.96 -4.80 115.26 112.53 1w2b n ASN 72 Ca 0.02 -3.68 -0.12 0.00 -0.03 0.00 0.00 54.58 50.77 1w2b n ASN 72 Cb 0.44 -0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 1w2b n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1w2b h VAL 73 N 0.74 1.00 -0.10 2.41 -1.51 -1.26 -2.09 116.25 115.43 1w2b h VAL 73 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.40 1w2b h VAL 73 Cb 1.00 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.15 1w2b h VAL 73 CO 0.00 0.00 -0.24 0.71 -1.23 0.00 0.00 177.57 176.81 1w2b h THR 74 N -0.00 1.22 0.00 7.19 1.35 -1.87 -1.53 112.91 119.27 1w2b h THR 74 Ca -0.00 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1w2b h THR 74 Cb 0.00 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1w2b h THR 74 CO -0.00 0.31 0.00 0.18 -0.25 0.00 0.00 175.52 175.76 1w2b n LEU 75 N -4.19 0.00 -3.43 3.87 4.77 -1.01 -3.77 117.00 113.24 1w2b n LEU 75 Ca -0.01 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 1w2b n LEU 75 Cb 0.34 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1w2b n LEU 75 CO 0.39 0.00 0.29 0.18 -1.33 0.00 0.00 177.39 176.92 1w2b n LEU 76 N -0.98 4.40 0.20 2.23 4.77 -0.57 -4.82 117.00 122.22 1w2b n LEU 76 Ca 0.21 -5.45 0.10 0.00 -0.03 0.00 0.00 56.01 50.84 1w2b n LEU 76 Cb 0.10 -0.75 0.13 0.00 -2.33 0.00 0.00 43.42 40.57 1w2b n LEU 76 CO 0.16 2.06 0.70 0.00 -1.33 0.00 0.00 177.39 178.98 1w2b h ALA 77 N 4.15 0.91 -0.06 -1.18 0.00 -1.75 -3.17 119.26 118.17 1w2b h ALA 77 Ca 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1w2b h ALA 77 Cb 0.61 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1w2b h ALA 77 CO 0.92 0.12 0.02 0.00 0.00 0.00 0.00 179.25 180.31 1w2b n ALA 78 N -2.13 2.66 -3.60 0.00 0.00 -1.26 -4.62 120.51 111.56 1w2b n ALA 78 Ca 0.03 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 1w2b n ALA 78 Cb 0.57 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 18.84 1w2b n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1w2b s ASP 79 N 0.23 1.57 0.00 0.00 1.01 -1.20 -5.13 116.67 113.16 1w2b s ASP 79 Ca 0.05 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.10 1w2b s ASP 79 Cb 0.04 0.04 0.00 0.00 1.01 0.00 0.00 42.92 44.00 1w2b s ASP 79 CO 0.01 -0.31 0.00 0.47 0.21 0.00 0.00 175.17 175.56 1w2b n ASP 80 N 5.30 0.00 -4.19 0.27 9.92 -1.25 -4.77 116.55 121.83 1w2b n ASP 80 Ca -0.05 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.90 1w2b n ASP 80 Cb 0.49 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.81 1w2b n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1w2b s VAL 81 N 0.00 1.93 0.00 2.53 1.01 -1.26 -2.87 120.40 121.74 1w2b s VAL 81 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1w2b s VAL 81 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1w2b s VAL 81 CO 0.00 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.63 1w2b n ALA 82 N 3.59 0.00 0.27 5.51 0.00 -1.26 -4.92 120.51 123.70 1w2b n ALA 82 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.26 1w2b n ALA 82 Cb 0.53 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.07 1w2b n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1w2b h GLU 83 N 0.00 0.00 -6.33 0.00 4.11 -2.00 -3.49 114.58 106.87 1w2b h GLU 83 Ca 0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.36 58.99 1w2b h GLU 83 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1w2b h GLU 83 CO 0.00 0.00 -0.34 -0.06 0.07 0.00 0.00 179.01 178.68 1w2b s PHE 89 N -3.63 3.01 -0.07 2.06 0.40 0.82 -5.08 117.98 115.49 1w2b s PHE 89 Ca -0.00 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1w2b s PHE 89 Cb 0.01 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.50 1w2b s PHE 89 CO 0.03 -0.08 -0.05 0.50 0.70 0.00 0.00 175.22 176.32 1w2b s ARG 90 N -4.19 1.05 -0.08 0.44 3.52 -1.14 -0.27 118.95 118.29 1w2b s ARG 90 Ca 0.47 -0.13 -0.03 0.00 -0.13 0.00 0.00 55.73 55.90 1w2b s ARG 90 Cb -0.09 -1.10 0.04 0.00 -1.56 0.00 0.00 34.95 32.24 1w2b s ARG 90 CO 0.31 -0.15 0.16 0.54 -0.81 0.00 0.00 175.30 175.35 1w2b s VAL 91 N 1.27 -0.16 -0.64 7.11 0.11 -0.19 -3.96 120.40 123.94 1w2b s VAL 91 Ca -0.05 0.27 -0.27 0.00 -2.93 0.00 0.00 61.98 59.00 1w2b s VAL 91 Cb -0.14 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 1w2b s VAL 91 CO -0.02 0.11 1.50 -0.62 -3.33 0.00 0.00 175.10 172.74 1w2b s ASP 92 N 1.75 5.89 0.39 3.54 -1.08 -1.26 -2.29 116.67 123.61 1w2b s ASP 92 Ca -0.03 0.05 0.17 0.00 -0.52 0.00 0.00 52.55 52.22 1w2b s ASP 92 Cb -0.12 -2.55 1.06 0.00 -1.46 0.00 0.00 42.92 39.85 1w2b s ASP 92 CO -0.06 -1.95 1.79 0.58 0.52 0.00 0.00 175.17 176.06 1w2b h VAL 93 N 6.40 0.58 -0.92 1.11 2.07 -1.24 0.21 116.25 124.47 1w2b h VAL 93 Ca -0.27 -0.15 0.23 0.00 0.82 0.00 0.00 66.70 67.33 1w2b h VAL 93 Cb 1.10 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1w2b h VAL 93 CO 1.22 0.08 0.62 0.03 0.02 0.00 0.00 177.57 179.55 1w2b h ARG 94 N 0.44 0.26 -0.03 1.57 3.08 -1.88 0.45 114.38 118.26 1w2b h ARG 94 Ca 0.56 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.60 1w2b h ARG 94 Cb 1.35 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1w2b h ARG 94 CO -0.27 0.17 0.00 -0.25 -1.07 0.00 0.00 179.97 178.54 1w2b n ASP 95 N -4.44 0.57 -0.07 7.04 8.00 0.06 -4.10 116.55 123.60 1w2b n ASP 95 Ca 0.20 -1.33 -0.15 0.00 0.71 0.00 0.00 54.79 54.22 1w2b n ASP 95 Cb 0.82 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.85 1w2b n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1w2b n VAL 96 N -0.49 0.80 -1.70 2.53 0.31 0.15 -5.02 118.33 114.91 1w2b n VAL 96 Ca 0.19 -0.22 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 1w2b n VAL 96 Cb 0.18 -1.62 -0.02 0.00 -0.91 0.00 0.00 33.84 31.48 1w2b n VAL 96 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1w2b n VAL 97 N -3.57 1.16 -3.45 2.52 0.31 -0.89 -4.99 118.33 109.42 1w2b n VAL 97 Ca -0.28 -0.29 -0.33 0.00 -0.01 0.00 0.00 64.34 63.43 1w2b n VAL 97 Cb 0.71 -1.66 -0.05 0.00 -0.91 0.00 0.00 33.84 31.92 1w2b n VAL 97 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1w2b s GLU 98 N -0.70 3.82 0.00 5.55 2.02 -1.26 -3.81 118.70 124.32 1w2b s GLU 98 Ca 0.64 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.91 1w2b s GLU 98 Cb -0.58 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1w2b s GLU 98 CO 0.52 0.40 0.00 0.39 0.02 0.00 0.00 175.26 176.58 1w2b n GLU 99 N 0.22 0.00 0.00 1.61 1.02 -1.26 -4.91 120.64 117.32 1w2b n GLU 99 Ca -0.02 0.10 0.03 0.00 -0.02 0.00 0.00 57.16 57.25 1w2b n GLU 99 Cb 0.52 -2.91 0.19 0.00 -0.02 0.00 0.00 31.44 29.23 1w2b n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1w2b n ALA 100 N 0.71 2.31 -0.12 0.62 0.00 -1.25 -3.41 120.51 119.37 1w2b n ALA 100 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 1w2b n ALA 100 Cb 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.26 1w2b n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1w2b n ASP 101 N -0.63 1.93 -0.79 0.00 8.00 -1.26 -4.40 116.55 119.40 1w2b n ASP 101 Ca 0.05 0.37 0.03 0.00 0.71 0.00 0.00 54.79 55.95 1w2b n ASP 101 Cb 0.02 -0.83 0.13 0.00 -0.02 0.00 0.00 41.12 40.43 1w2b n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1w2b n ASP 102 N -4.34 2.17 -4.68 -2.24 5.75 -1.24 -4.84 116.55 107.13 1w2b n ASP 102 Ca -0.41 -2.20 -0.35 0.00 -0.01 0.00 0.00 54.79 51.83 1w2b n ASP 102 Cb 0.75 -0.41 -0.09 0.00 -1.03 0.00 0.00 41.12 40.34 1w2b n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1w2b s ALA 103 N -1.64 3.49 0.62 2.12 0.00 -1.22 -4.90 121.76 120.23 1w2b s ALA 103 Ca 0.19 -0.73 0.34 0.00 0.00 0.00 0.00 51.96 51.75 1w2b s ALA 103 Cb 0.12 -1.91 1.91 0.00 0.00 0.00 0.00 23.12 23.25 1w2b s ALA 103 CO 0.08 0.28 2.20 0.22 0.00 0.00 0.00 175.76 178.54 1w2b h ASP 104 N 6.30 0.00 -4.11 0.00 1.82 -1.35 -3.45 116.42 115.63 1w2b h ASP 104 Ca -0.41 0.00 0.32 0.00 -0.39 0.00 0.00 57.03 56.54 1w2b h ASP 104 Cb 1.18 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 40.98 1w2b h ASP 104 CO 0.68 0.00 0.94 -0.72 -1.61 0.00 0.00 179.24 178.53 1w2b s TYR 105 N -4.45 -0.04 -0.32 0.28 -0.85 -1.26 -5.03 117.35 105.69 1w2b s TYR 105 Ca -0.05 0.02 -0.12 0.00 -0.52 0.00 0.00 57.07 56.40 1w2b s TYR 105 Cb 0.14 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 1w2b s TYR 105 CO 0.48 -0.06 0.22 0.08 -1.52 0.00 0.00 175.55 174.75 1w2b s VAL 106 N -2.12 5.26 -0.08 -3.49 1.01 -1.26 -0.56 120.40 119.16 1w2b s VAL 106 Ca 0.11 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1w2b s VAL 106 Cb -0.01 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 1w2b s VAL 106 CO -0.03 0.07 -0.24 -0.75 0.00 0.00 0.00 175.10 174.15 1w2b s LYS 107 N 1.73 2.84 -0.21 2.72 2.20 0.19 -1.82 119.74 127.39 1w2b s LYS 107 Ca 0.06 -0.89 -0.12 0.00 -0.36 0.00 0.00 55.97 54.66 1w2b s LYS 107 Cb -0.17 -2.24 -0.05 0.00 -1.51 0.00 0.00 37.83 33.86 1w2b s LYS 107 CO 0.10 0.26 0.22 0.08 -0.36 0.00 0.00 175.35 175.66 1w2b s VAL 108 N 0.13 5.33 -0.00 4.02 1.01 -0.43 -2.25 120.40 128.20 1w2b s VAL 108 Ca -0.13 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1w2b s VAL 108 Cb -0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1w2b s VAL 108 CO 0.07 0.35 0.09 -0.76 0.00 0.00 0.00 175.10 174.85 1w2b s LEU 109 N 0.89 3.93 -1.22 3.92 1.43 -0.30 -2.55 118.68 124.77 1w2b s LEU 109 Ca 0.11 0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 53.23 1w2b s LEU 109 Cb -0.13 -2.30 0.16 0.00 0.03 0.00 0.00 46.19 43.95 1w2b s LEU 109 CO 0.04 0.27 1.48 0.61 0.23 0.00 0.00 176.35 178.98 1w2b n GLY 110 N 1.17 3.36 3.31 -3.19 0.00 -1.26 -2.13 105.19 106.45 1w2b n GLY 110 Ca -0.13 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 1w2b n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2b s ALA 111 N 1.75 2.48 0.00 4.61 0.00 -1.26 -4.64 121.76 124.69 1w2b s ALA 111 Ca 0.44 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1w2b s ALA 111 Cb -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.99 1w2b s ALA 111 CO 0.01 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.39 1w2b n GLY 112 N 3.62 -1.25 3.64 0.00 0.00 -1.26 -1.61 105.19 108.33 1w2b n GLY 112 Ca -0.19 -1.94 -0.24 0.00 0.00 0.00 0.00 46.02 43.66 1w2b n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w2b s GLN 113 N 0.00 2.17 -0.37 1.61 -0.21 -1.26 -4.90 119.66 116.70 1w2b s GLN 113 Ca 0.00 -1.59 0.01 0.00 0.02 0.00 0.00 55.36 53.80 1w2b s GLN 113 Cb 0.00 -2.05 0.12 0.00 1.00 0.00 0.00 33.01 32.08 1w2b s GLN 113 CO 0.00 0.24 0.16 0.08 -2.12 0.00 0.00 175.29 173.65 1w2b s VAL 114 N -2.43 1.27 -2.16 1.09 1.01 -1.26 -4.42 120.40 113.50 1w2b s VAL 114 Ca 0.34 -2.04 0.17 0.00 0.00 0.00 0.00 61.98 60.45 1w2b s VAL 114 Cb -0.03 -1.92 0.41 0.00 0.00 0.00 0.00 36.38 34.84 1w2b s VAL 114 CO 0.20 -0.77 1.49 0.54 0.00 0.00 0.00 175.10 176.55 1w2b n ARG 115 N 4.17 1.59 -4.63 2.72 1.74 -1.26 -4.76 116.66 116.23 1w2b n ARG 115 Ca 0.04 -0.90 -0.29 0.00 -0.77 0.00 0.00 57.85 55.92 1w2b n ARG 115 Cb 0.38 -1.33 -0.07 0.00 -1.02 0.00 0.00 32.46 30.42 1w2b n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1w2b s HIS 116 N -1.78 1.77 -0.48 -1.55 3.76 -1.26 -5.10 115.29 110.65 1w2b s HIS 116 Ca 0.28 -1.22 -0.15 0.00 -0.15 0.00 0.00 55.06 53.83 1w2b s HIS 116 Cb 0.15 -1.31 0.09 0.00 1.11 0.00 0.00 32.58 32.61 1w2b s HIS 116 CO 0.22 -0.15 0.40 -1.21 -0.85 0.00 0.00 174.74 173.15 1w2b s GLU 117 N -3.75 2.92 -0.13 1.40 2.02 -1.25 -4.74 118.70 115.17 1w2b s GLU 117 Ca 0.13 -1.46 -0.02 0.00 0.02 0.00 0.00 54.97 53.65 1w2b s GLU 117 Cb 0.01 -4.12 -0.02 0.00 0.10 0.00 0.00 34.13 30.10 1w2b s GLU 117 CO 0.09 -1.09 -0.07 -0.51 0.02 0.00 0.00 175.26 173.70 1w2b s LEU 118 N 1.59 3.08 -0.39 1.80 1.43 -1.26 -0.12 118.68 124.80 1w2b s LEU 118 Ca 0.04 -0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 52.88 1w2b s LEU 118 Cb -0.25 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.31 1w2b s LEU 118 CO 0.05 0.21 0.22 -0.89 0.23 0.00 0.00 176.35 176.18 1w2b s THR 119 N 0.08 4.28 -0.07 5.49 2.01 0.63 -1.21 115.64 126.84 1w2b s THR 119 Ca -0.02 -1.19 0.00 0.00 0.31 0.00 0.00 61.69 60.79 1w2b s THR 119 Cb -0.14 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1w2b s THR 119 CO 0.03 -0.38 -0.06 -0.76 -0.69 0.00 0.00 174.62 172.77 1w2b s LEU 120 N 1.46 3.24 -0.15 4.42 1.43 -0.11 -1.02 118.68 127.95 1w2b s LEU 120 Ca 0.02 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1w2b s LEU 120 Cb -0.21 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1w2b s LEU 120 CO 0.04 0.36 -0.17 -0.63 0.23 0.00 0.00 176.35 176.18 1w2b s ILE 121 N -0.83 2.47 0.27 -0.59 1.01 -0.97 0.12 121.20 122.68 1w2b s ILE 121 Ca 0.13 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.72 1w2b s ILE 121 Cb -0.11 -2.03 0.03 0.00 0.01 0.00 0.00 42.46 40.36 1w2b s ILE 121 CO 0.02 0.53 0.77 0.00 0.00 0.00 0.00 174.94 176.25 1w2b s ALA 122 N 0.81 -1.26 0.16 9.38 0.00 -0.91 -0.59 121.76 129.34 1w2b s ALA 122 Ca -0.06 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1w2b s ALA 122 Cb -0.15 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 1w2b s ALA 122 CO -0.01 -1.04 1.37 -0.44 0.00 0.00 0.00 175.76 175.65 1w2b h ASP 123 N 2.00 0.13 -4.87 0.00 3.32 -1.67 -0.02 116.42 115.30 1w2b h ASP 123 Ca -0.21 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.66 1w2b h ASP 123 Cb 1.25 -0.04 -0.20 0.00 0.22 0.00 0.00 39.33 40.56 1w2b h ASP 123 CO 0.25 0.96 0.10 -0.62 -1.72 0.00 0.00 179.24 178.20 1w2b s ASP 124 N -6.85 -0.58 0.24 6.45 2.15 -1.12 -3.79 116.67 113.17 1w2b s ASP 124 Ca -0.01 0.69 0.02 0.00 0.43 0.00 0.00 52.55 53.68 1w2b s ASP 124 Cb 0.10 0.60 -0.05 0.00 -0.30 0.00 0.00 42.92 43.27 1w2b s ASP 124 CO 0.82 -0.54 0.04 -0.36 -0.17 0.00 0.00 175.17 174.96 1w2b s PHE 125 N -1.02 1.53 0.12 -5.34 0.40 -1.26 -1.32 117.98 111.09 1w2b s PHE 125 Ca -0.10 -1.04 0.06 0.00 -0.60 0.00 0.00 56.93 55.25 1w2b s PHE 125 Cb -0.01 -0.90 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 1w2b s PHE 125 CO 0.08 -0.18 -0.02 -1.54 0.70 0.00 0.00 175.22 174.26 1w2b s SER 126 N -3.30 4.81 0.17 1.36 1.04 -1.06 -4.93 113.70 111.79 1w2b s SER 126 Ca 0.32 -0.30 -0.29 0.00 0.48 0.00 0.00 55.95 56.16 1w2b s SER 126 Cb 0.07 -1.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.11 1w2b s SER 126 CO 0.10 0.14 1.55 -0.33 0.98 0.00 0.00 173.24 175.68 1w2b h GLU 127 N 3.19 -0.07 -0.83 4.02 5.08 -1.98 0.79 114.58 124.77 1w2b h GLU 127 Ca -0.48 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.08 1w2b h GLU 127 Cb 1.18 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 1w2b h GLU 127 CO 0.58 -0.05 0.27 0.78 -1.00 0.00 0.00 179.01 179.59 1w2b h GLY 128 N -0.07 1.27 0.73 -3.84 0.00 -1.95 1.01 103.07 100.22 1w2b h GLY 128 Ca 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1w2b h GLY 128 CO -0.88 -0.25 -0.46 0.00 0.00 0.00 0.00 176.54 174.94 1w2b h ALA 129 N 1.68 -1.25 0.15 3.60 0.00 0.10 -1.36 119.26 122.18 1w2b h ALA 129 Ca 0.49 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1w2b h ALA 129 Cb 0.91 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1w2b h ALA 129 CO -0.55 -1.21 -0.24 0.00 0.00 0.00 0.00 179.25 177.25 1w2b h ARG 130 N -1.12 -0.40 -0.93 0.00 3.08 0.20 -2.35 114.38 112.86 1w2b h ARG 130 Ca -0.10 0.03 0.25 0.00 0.07 0.00 0.00 59.98 60.23 1w2b h ARG 130 Cb 0.90 0.09 -0.17 0.00 0.08 0.00 0.00 29.97 30.88 1w2b h ARG 130 CO 0.09 -0.27 0.09 0.93 -1.07 0.00 0.00 179.97 179.74 1w2b h GLU 131 N -0.41 0.06 -0.46 0.04 5.08 0.91 -1.49 114.58 118.30 1w2b h GLU 131 Ca -0.02 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1w2b h GLU 131 Cb 0.38 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1w2b h GLU 131 CO -0.08 0.04 -0.11 0.87 -1.00 0.00 0.00 179.01 178.73 1w2b h LYS 132 N 0.07 0.90 -0.10 2.33 1.57 -1.03 -2.53 116.57 117.78 1w2b h LYS 132 Ca 0.57 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1w2b h LYS 132 Cb 1.17 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1w2b h LYS 132 CO -0.82 0.99 -0.07 0.28 -0.57 0.00 0.00 179.45 179.27 1w2b h VAL 133 N 0.74 1.34 -0.50 0.50 2.07 -0.74 -3.08 116.25 116.58 1w2b h VAL 133 Ca 0.12 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1w2b h VAL 133 Cb 0.66 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1w2b h VAL 133 CO 0.05 0.32 0.29 -0.33 0.02 0.00 0.00 177.57 177.92 1w2b h GLU 134 N -0.17 0.68 0.00 1.57 5.08 -1.53 0.43 114.58 120.64 1w2b h GLU 134 Ca 0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1w2b h GLU 134 Cb 0.55 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1w2b h GLU 134 CO 0.02 0.51 0.14 0.78 -1.00 0.00 0.00 179.01 179.46 1w2b h GLY 135 N 0.66 0.00 -2.99 -3.84 0.00 -1.48 0.61 103.07 96.02 1w2b h GLY 135 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.16 1w2b h GLY 135 CO -0.03 0.00 0.26 0.00 0.00 0.00 0.00 176.54 176.77 1w2b n ALA 136 N -1.91 4.97 -3.38 3.60 0.00 -0.71 -4.90 120.51 118.17 1w2b n ALA 136 Ca -0.02 -3.05 -0.21 0.00 0.00 0.00 0.00 53.44 50.16 1w2b n ALA 136 Cb 0.19 -1.08 0.06 0.00 0.00 0.00 0.00 19.45 18.63 1w2b n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w2b n GLY 137 N -1.13 -0.35 2.79 0.00 0.00 0.21 -3.91 105.19 102.79 1w2b n GLY 137 Ca 0.46 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 46.37 1w2b n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w2b n GLY 138 N -1.77 3.48 3.07 -0.02 0.00 0.06 -4.62 105.19 105.40 1w2b n GLY 138 Ca -0.01 -2.32 -0.09 0.00 0.00 0.00 0.00 46.02 43.60 1w2b n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w2b s SER 139 N -3.20 0.21 -0.20 1.61 1.04 -0.35 -3.94 113.70 108.87 1w2b s SER 139 Ca 0.06 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1w2b s SER 139 Cb -0.00 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.34 1w2b s SER 139 CO 0.04 -0.43 -0.09 -0.69 0.98 0.00 0.00 173.24 173.05 1w2b s VAL 140 N -2.18 1.55 -0.24 5.02 1.01 -1.26 -0.94 120.40 123.36 1w2b s VAL 140 Ca -0.09 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 1w2b s VAL 140 Cb -0.04 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1w2b s VAL 140 CO -0.03 0.12 0.16 -1.61 0.00 0.00 0.00 175.10 173.74 1w2b s GLU 141 N 1.43 4.05 -0.19 2.72 2.02 0.32 -4.96 118.70 124.08 1w2b s GLU 141 Ca -0.02 -0.28 -0.23 0.00 0.02 0.00 0.00 54.97 54.46 1w2b s GLU 141 Cb -0.16 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 1w2b s GLU 141 CO -0.08 0.03 0.73 -1.17 0.02 0.00 0.00 175.26 174.80 1w2b s LEU 142 N 1.13 4.15 1.21 1.80 2.96 -1.26 -2.14 118.68 126.52 1w2b s LEU 142 Ca 0.07 0.99 -0.15 0.00 -0.22 0.00 0.00 54.13 54.83 1w2b s LEU 142 Cb -0.14 -3.06 0.28 0.00 0.50 0.00 0.00 46.19 43.77 1w2b s LEU 142 CO 0.05 -0.35 0.82 0.41 -1.32 0.00 0.00 176.35 175.96 1w2b n THR 143 N 4.76 0.00 0.25 3.68 -1.04 -0.02 -4.73 114.28 117.18 1w2b n THR 143 Ca 0.02 -0.44 0.08 0.00 -2.04 0.00 0.00 64.05 61.66 1w2b n THR 143 Cb 0.49 -0.93 0.62 0.00 -1.82 0.00 0.00 70.33 68.69 1w2b n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1w2b h ASP 144 N -2.71 0.00 1.03 8.00 3.32 -1.96 0.20 116.42 124.30 1w2b h ASP 144 Ca -0.61 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.33 1w2b h ASP 144 Cb 1.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.87 1w2b h ASP 144 CO 0.47 0.07 -0.52 0.25 -1.72 0.00 0.00 179.24 177.79 1w2b h LEU 145 N 0.00 0.00 0.00 1.55 6.46 -1.92 -2.15 115.31 119.25 1w2b h LEU 145 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1w2b h LEU 145 Cb 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1w2b h LEU 145 CO 0.01 0.52 0.00 0.61 -0.62 0.00 0.00 178.44 178.96 1w2b n GLY 146 N 0.68 -0.94 2.13 3.75 0.00 0.69 -3.69 105.19 107.81 1w2b n GLY 146 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 1w2b n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w2b n GLU 147 N -1.45 1.08 -3.19 1.61 1.02 -0.81 -4.04 120.64 114.85 1w2b n GLU 147 Ca 0.04 -0.49 -0.22 0.00 -0.02 0.00 0.00 57.16 56.47 1w2b n GLU 147 Cb 0.15 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.82 1w2b n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1w2b n GLU 148 N 2.55 0.83 -3.29 3.49 1.02 -1.24 -5.00 120.64 119.00 1w2b n GLU 148 Ca 0.21 -3.30 -0.25 0.00 -0.02 0.00 0.00 57.16 53.81 1w2b n GLU 148 Cb 0.50 -1.41 -0.08 0.00 -0.02 0.00 0.00 31.44 30.43 1w2b n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1w2b n ARG 149 N 0.99 0.37 0.00 3.49 1.74 -1.26 -4.87 116.66 117.12 1w2b n ARG 149 Ca 0.23 -3.12 0.00 0.00 -0.77 0.00 0.00 57.85 54.19 1w2b n ARG 149 Cb 0.58 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1w2b n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1w2b n GLN 150 N 2.36 0.00 0.00 5.56 7.27 -1.26 -5.26 117.38 126.05 1w2b n GLN 150 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.33 1w2b n GLN 150 Cb 0.50 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.15 1w2b n GLN 150 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13