#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wc2 s GLN 2 N 0.00 4.09 0.17 -3.83 -0.21 -1.15 -1.08 119.66 117.65 1wc2 s GLN 2 Ca 0.00 1.08 0.22 0.00 0.02 0.00 0.00 55.36 56.68 1wc2 s GLN 2 Cb 0.00 -3.72 -0.05 0.00 1.00 0.00 0.00 33.01 30.24 1wc2 s GLN 2 CO 0.00 -0.83 0.96 1.63 -2.12 0.00 0.00 175.29 174.93 1wc2 n LYS 3 N 6.72 0.61 -2.61 2.91 5.02 -1.26 -4.89 118.16 124.66 1wc2 n LYS 3 Ca 0.11 0.11 -0.34 0.00 -2.02 0.00 0.00 58.31 56.17 1wc2 n LYS 3 Cb 0.47 -1.80 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1wc2 n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wc2 s SER 5 N -2.00 0.18 0.00 0.00 1.04 -0.18 -4.78 113.70 107.95 1wc2 s SER 5 Ca 0.65 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1wc2 s SER 5 Cb -0.15 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1wc2 s SER 5 CO 0.19 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1wc2 n GLY 6 N -0.13 -0.46 2.90 7.32 0.00 -1.26 -0.96 105.19 112.60 1wc2 n GLY 6 Ca -0.08 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 1wc2 n GLY 6 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wc2 s ASN 7 N -1.17 3.53 1.05 1.61 2.47 -1.26 -2.65 114.94 118.52 1wc2 s ASN 7 Ca 0.00 -1.03 -0.13 0.00 0.42 0.00 0.00 52.86 52.12 1wc2 s ASN 7 Cb 0.00 -1.05 0.22 0.00 -1.45 0.00 0.00 41.25 38.97 1wc2 s ASN 7 CO 0.00 -0.24 1.08 -2.16 -3.72 0.00 0.00 177.10 172.07 1wc2 s PRO 8 N 1.51 0.01 0.16 0.43 0.05 -1.26 -5.07 135.00 130.82 1wc2 s PRO 8 Ca -0.04 0.49 -0.31 0.00 0.05 0.00 0.00 61.00 61.19 1wc2 s PRO 8 Cb -0.18 -1.69 -0.09 0.00 0.05 0.00 0.00 34.50 32.59 1wc2 s PRO 8 CO -0.07 -3.01 1.46 1.03 0.05 0.00 0.00 177.00 176.47 1wc2 s ARG 9 N -4.92 4.28 0.08 4.56 1.81 -0.22 -4.89 118.95 119.66 1wc2 s ARG 9 Ca 0.66 2.21 0.01 0.00 -1.72 0.00 0.00 55.73 56.90 1wc2 s ARG 9 Cb -0.19 -3.19 -0.04 0.00 -0.45 0.00 0.00 34.95 31.08 1wc2 s ARG 9 CO 0.59 -0.49 -0.06 1.03 -0.68 0.00 0.00 175.30 175.68 1wc2 s ARG 10 N 0.87 0.75 -0.16 3.54 0.52 -0.13 -2.10 118.95 122.24 1wc2 s ARG 10 Ca 0.66 -1.22 -0.04 0.00 -0.52 0.00 0.00 55.73 54.61 1wc2 s ARG 10 Cb -0.40 -0.17 0.06 0.00 0.52 0.00 0.00 34.95 34.95 1wc2 s ARG 10 CO 0.33 -0.02 0.07 -0.47 0.02 0.00 0.00 175.30 175.23 1wc2 s TYR 11 N -3.25 0.38 -1.55 -0.53 5.04 -0.18 -1.01 117.35 116.25 1wc2 s TYR 11 Ca 0.07 -0.36 -0.09 0.00 -2.44 0.00 0.00 57.07 54.25 1wc2 s TYR 11 Cb 0.03 -0.75 0.08 0.00 0.35 0.00 0.00 41.96 41.67 1wc2 s TYR 11 CO -0.04 -0.49 0.62 0.09 -1.34 0.00 0.00 175.55 174.38 1wc2 n ASN 12 N 5.23 -1.96 0.00 4.32 5.03 -1.26 -1.66 115.26 124.95 1wc2 n ASN 12 Ca -0.07 -1.00 0.00 0.00 0.87 0.00 0.00 54.58 54.39 1wc2 n ASN 12 Cb 0.49 -2.97 0.00 0.00 -1.02 0.00 0.00 39.78 36.28 1wc2 n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wc2 n GLY 13 N -1.72 0.60 3.26 7.41 0.00 -1.26 -5.05 105.19 108.43 1wc2 n GLY 13 Ca -0.11 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1wc2 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wc2 s LYS 14 N -0.57 2.00 0.29 1.61 1.02 -0.67 -5.12 119.74 118.30 1wc2 s LYS 14 Ca 0.00 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 1wc2 s LYS 14 Cb 0.00 -1.88 -0.10 0.00 -0.52 0.00 0.00 37.83 35.33 1wc2 s LYS 14 CO 0.00 0.48 1.35 0.45 -0.92 0.00 0.00 175.35 176.70 1wc2 s SER 15 N -0.46 6.75 0.16 2.83 0.15 -1.26 -1.01 113.70 120.85 1wc2 s SER 15 Ca 0.07 2.64 -0.01 0.00 0.70 0.00 0.00 55.95 59.35 1wc2 s SER 15 Cb -0.10 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.53 1wc2 s SER 15 CO -0.00 -0.58 0.34 0.00 1.20 0.00 0.00 173.24 174.19 1wc2 s ALA 17 N -1.74 1.27 0.53 0.00 0.00 0.05 -4.06 121.76 117.80 1wc2 s ALA 17 Ca 0.38 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 1wc2 s ALA 17 Cb -0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1wc2 s ALA 17 CO 0.28 0.24 0.89 -1.54 0.00 0.00 0.00 175.76 175.63 1wc2 s SER 18 N 0.01 6.28 0.05 0.00 1.04 -0.98 -1.75 113.70 118.35 1wc2 s SER 18 Ca -0.02 1.15 0.02 0.00 0.48 0.00 0.00 55.95 57.59 1wc2 s SER 18 Cb -0.09 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 1wc2 s SER 18 CO 0.01 -0.68 -0.08 0.42 0.98 0.00 0.00 173.24 173.89 1wc2 s THR 19 N -2.88 0.58 0.02 2.02 -4.23 -1.25 -1.72 115.64 108.18 1wc2 s THR 19 Ca 0.51 -1.22 0.05 0.00 -1.18 0.00 0.00 61.69 59.86 1wc2 s THR 19 Cb -0.11 -0.78 -0.02 0.00 1.34 0.00 0.00 72.50 72.93 1wc2 s THR 19 CO 0.47 -0.45 -0.16 0.42 -0.54 0.00 0.00 174.62 174.36 1wc2 s THR 20 N -1.71 1.26 -0.03 3.99 -4.23 -0.92 -4.66 115.64 109.33 1wc2 s THR 20 Ca -0.06 -0.91 -0.26 0.00 -1.18 0.00 0.00 61.69 59.28 1wc2 s THR 20 Cb -0.08 -1.09 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 1wc2 s THR 20 CO -0.00 0.17 0.80 0.20 -0.54 0.00 0.00 174.62 175.25 1wc2 s ASN 21 N -0.86 7.14 0.22 3.99 0.01 -1.26 0.25 114.94 124.42 1wc2 s ASN 21 Ca 0.04 1.37 -0.04 0.00 -0.71 0.00 0.00 52.86 53.53 1wc2 s ASN 21 Cb -0.07 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 1wc2 s ASN 21 CO 0.01 -0.15 0.24 -0.72 -1.51 0.00 0.00 177.10 174.96 1wc2 s TYR 22 N 0.79 0.95 -0.06 2.20 -0.00 -0.58 -4.87 117.35 115.79 1wc2 s TYR 22 Ca 0.43 -1.20 0.00 0.00 -0.00 0.00 0.00 57.07 56.29 1wc2 s TYR 22 Cb -0.19 -0.35 0.02 0.00 -0.00 0.00 0.00 41.96 41.45 1wc2 s TYR 22 CO 0.22 -0.75 -0.04 -1.58 -0.00 0.00 0.00 175.55 173.40 1wc2 s HIS 23 N -4.08 0.81 -0.03 -3.49 5.65 -1.26 -0.47 115.29 112.41 1wc2 s HIS 23 Ca 0.34 -0.25 -0.00 0.00 0.25 0.00 0.00 55.06 55.40 1wc2 s HIS 23 Cb 0.05 -0.77 0.03 0.00 -1.18 0.00 0.00 32.58 30.70 1wc2 s HIS 23 CO 0.12 -0.27 0.02 0.34 -0.65 0.00 0.00 174.74 174.30 1wc2 s ASP 24 N 1.31 0.60 0.00 9.88 -1.08 -1.26 -5.04 116.67 121.08 1wc2 s ASP 24 Ca -0.05 0.01 0.21 0.00 -0.52 0.00 0.00 52.55 52.20 1wc2 s ASP 24 Cb -0.14 -0.19 0.28 0.00 -1.46 0.00 0.00 42.92 41.41 1wc2 s ASP 24 CO -0.02 -0.15 1.26 -1.54 0.52 0.00 0.00 175.17 175.24 1wc2 n SER 25 N 4.50 3.04 -4.82 -0.34 3.41 -1.26 -4.99 113.62 113.15 1wc2 n SER 25 Ca -0.20 -1.92 -0.32 0.00 -0.26 0.00 0.00 58.87 56.17 1wc2 n SER 25 Cb 0.50 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1wc2 n SER 25 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1wc2 s HIS 26 N -1.59 3.19 0.24 7.33 3.76 -1.26 -4.21 115.29 122.74 1wc2 s HIS 26 Ca 0.30 1.46 -0.05 0.00 -0.15 0.00 0.00 55.06 56.62 1wc2 s HIS 26 Cb 0.19 -2.90 0.46 0.00 1.11 0.00 0.00 32.58 31.44 1wc2 s HIS 26 CO 0.28 -0.91 1.69 -0.22 -0.85 0.00 0.00 174.74 174.73 1wc2 h LYS 27 N 0.29 0.26 0.00 1.40 3.64 -1.37 -3.42 116.57 117.37 1wc2 h LYS 27 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1wc2 h LYS 27 Cb 1.21 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1wc2 h LYS 27 CO 0.59 0.17 0.00 0.41 -2.27 0.00 0.00 179.45 178.35 1wc2 n GLY 28 N -1.35 0.12 0.00 5.01 0.00 -1.26 -3.93 105.19 103.77 1wc2 n GLY 28 Ca 0.14 -1.82 0.15 0.00 0.00 0.00 0.00 46.02 44.49 1wc2 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wc2 n ALA 29 N 0.35 2.59 0.20 4.61 0.00 -1.25 -2.13 120.51 124.88 1wc2 n ALA 29 Ca 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.35 1wc2 n ALA 29 Cb 0.00 -1.49 0.16 0.00 0.00 0.00 0.00 19.45 18.12 1wc2 n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wc2 n GLY 31 N 1.02 -0.06 2.54 0.00 0.00 -0.90 -2.67 105.19 105.11 1wc2 n GLY 31 Ca 0.14 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1wc2 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wc2 s GLY 33 N 1.32 -0.03 0.34 0.00 0.00 -1.26 -2.66 107.32 105.04 1wc2 s GLY 33 Ca 0.55 -0.11 -0.27 0.00 0.00 0.00 0.00 44.72 44.88 1wc2 s GLY 33 CO -0.06 2.07 1.19 -1.05 0.00 0.00 0.00 173.10 175.25 1wc2 n PRO 34 N -0.66 1.85 -0.31 2.90 -0.02 -1.25 -4.74 135.00 132.78 1wc2 n PRO 34 Ca -0.03 0.65 0.01 0.00 -2.02 0.00 0.00 63.50 62.11 1wc2 n PRO 34 Cb 0.60 -2.19 0.14 0.00 -0.02 0.00 0.00 33.50 32.03 1wc2 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wc2 h ALA 35 N 2.28 1.18 -2.08 3.55 0.00 -1.94 -3.36 119.26 118.90 1wc2 h ALA 35 Ca -0.44 -0.01 -0.74 0.00 0.00 0.00 0.00 54.91 53.72 1wc2 h ALA 35 Cb 1.30 -0.23 -0.22 0.00 0.00 0.00 0.00 17.79 18.64 1wc2 h ALA 35 CO 0.61 0.28 -0.13 0.45 0.00 0.00 0.00 179.25 180.46 1wc2 s SER 36 N -5.77 6.18 0.00 0.00 0.15 -1.26 -4.92 113.70 108.09 1wc2 s SER 36 Ca -0.13 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 54.96 1wc2 s SER 36 Cb 0.18 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 1wc2 s SER 36 CO 0.79 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1wc2 n GLY 37 N 5.25 0.81 0.49 9.45 0.00 -1.26 -4.93 105.19 114.99 1wc2 n GLY 37 Ca -0.12 -2.15 0.07 0.00 0.00 0.00 0.00 46.02 43.82 1wc2 n GLY 37 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wc2 n ASP 38 N 1.32 1.79 -4.92 1.61 2.03 -1.26 -4.93 116.55 112.19 1wc2 n ASP 38 Ca 0.00 -3.40 -0.29 0.00 0.52 0.00 0.00 54.79 51.62 1wc2 n ASP 38 Cb 0.00 -0.46 -0.04 0.00 -0.72 0.00 0.00 41.12 39.90 1wc2 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wc2 s ALA 39 N -2.72 3.85 0.71 -1.67 0.00 -1.26 -1.26 121.76 119.41 1wc2 s ALA 39 Ca 0.34 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.41 1wc2 s ALA 39 Cb 0.32 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 21.46 1wc2 s ALA 39 CO -0.04 0.54 1.10 -0.65 0.00 0.00 0.00 175.76 176.71 1wc2 s GLN 40 N -3.06 2.80 1.15 0.00 -0.21 -1.26 -3.76 119.66 115.32 1wc2 s GLN 40 Ca 0.39 0.47 -0.16 0.00 0.02 0.00 0.00 55.36 56.07 1wc2 s GLN 40 Cb -0.12 -2.01 0.26 0.00 1.00 0.00 0.00 33.01 32.14 1wc2 s GLN 40 CO 0.28 -1.08 1.07 -0.06 -2.12 0.00 0.00 175.29 173.38 1wc2 s PHE 41 N -3.35 1.12 0.29 0.91 2.99 -1.09 -4.64 117.98 114.22 1wc2 s PHE 41 Ca 0.58 0.78 0.21 0.00 0.00 0.00 0.00 56.93 58.50 1wc2 s PHE 41 Cb -0.11 -3.27 0.97 0.00 0.00 0.00 0.00 43.02 40.60 1wc2 s PHE 41 CO 0.52 -3.65 1.88 0.78 -0.00 0.00 0.00 175.22 174.75 1wc2 h GLY 42 N -2.43 0.00 1.70 4.36 0.00 -1.98 -3.27 103.07 101.44 1wc2 h GLY 42 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1wc2 h GLY 42 CO 0.45 0.00 -0.28 0.11 0.00 0.00 0.00 176.54 176.82 1wc2 h TRP 43 N 0.00 0.00 -0.51 5.60 5.08 -1.98 -3.39 115.95 120.76 1wc2 h TRP 43 Ca -0.00 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.89 1wc2 h TRP 43 Cb 0.64 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.78 1wc2 h TRP 43 CO 0.00 0.00 0.03 -0.91 -1.28 0.00 0.00 178.44 176.28 1wc2 h ASN 44 N 0.00 0.85 -0.22 0.11 4.21 -1.93 -3.05 115.58 115.55 1wc2 h ASN 44 Ca 0.00 -0.29 -0.02 0.00 1.21 0.00 0.00 56.30 57.20 1wc2 h ASN 44 Cb 0.95 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.90 1wc2 h ASN 44 CO 0.00 0.93 0.08 0.00 -1.29 0.00 0.00 177.43 177.15 1wc2 h ALA 45 N 0.95 1.63 -0.18 -0.83 0.00 -1.82 -2.65 119.26 116.36 1wc2 h ALA 45 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wc2 h ALA 45 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wc2 h ALA 45 CO 0.02 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1wc2 n GLY 46 N -1.22 1.07 3.94 0.00 0.00 -1.22 -4.40 105.19 103.37 1wc2 n GLY 46 Ca 0.01 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 1wc2 n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wc2 s SER 47 N -1.41 5.81 -0.95 1.61 0.01 -1.00 -4.88 113.70 112.89 1wc2 s SER 47 Ca 0.27 0.45 -0.22 0.00 1.31 0.00 0.00 55.95 57.76 1wc2 s SER 47 Cb 0.17 -1.65 0.07 0.00 0.21 0.00 0.00 66.02 64.82 1wc2 s SER 47 CO 0.24 -0.78 1.33 -0.36 0.41 0.00 0.00 173.24 174.08 1wc2 s PHE 48 N -2.68 2.65 0.19 2.43 2.99 0.34 -4.87 117.98 119.03 1wc2 s PHE 48 Ca 0.50 -0.88 0.06 0.00 0.00 0.00 0.00 56.93 56.60 1wc2 s PHE 48 Cb -0.10 -4.57 -0.05 0.00 0.00 0.00 0.00 43.02 38.30 1wc2 s PHE 48 CO 0.40 -1.83 -0.10 0.14 -0.00 0.00 0.00 175.22 173.83 1wc2 s VAL 49 N 4.45 1.39 0.04 -0.44 -7.23 -1.26 -1.62 120.40 115.73 1wc2 s VAL 49 Ca 0.40 -2.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.39 1wc2 s VAL 49 Cb -0.03 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 1wc2 s VAL 49 CO -0.06 -0.61 0.12 0.00 -0.31 0.00 0.00 175.10 174.23 1wc2 s ALA 50 N -3.19 -0.14 -0.25 1.32 0.00 -0.25 -1.79 121.76 117.46 1wc2 s ALA 50 Ca 0.21 -0.48 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 1wc2 s ALA 50 Cb 0.02 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1wc2 s ALA 50 CO 0.04 -0.33 0.13 0.00 0.00 0.00 0.00 175.76 175.61 1wc2 s ALA 51 N -2.60 3.43 0.04 0.00 0.00 -0.04 -1.36 121.76 121.23 1wc2 s ALA 51 Ca -0.05 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.75 1wc2 s ALA 51 Cb -0.01 -2.24 -0.06 0.00 0.00 0.00 0.00 23.12 20.80 1wc2 s ALA 51 CO -0.04 -0.33 0.48 0.00 0.00 0.00 0.00 175.76 175.87 1wc2 s ALA 52 N 1.33 3.65 0.43 0.00 0.00 -0.60 -1.08 121.76 125.48 1wc2 s ALA 52 Ca 0.06 -0.12 -0.23 0.00 0.00 0.00 0.00 51.96 51.67 1wc2 s ALA 52 Cb -0.15 -2.49 -0.11 0.00 0.00 0.00 0.00 23.12 20.38 1wc2 s ALA 52 CO 0.06 0.45 0.86 -1.13 0.00 0.00 0.00 175.76 176.00 1wc2 n SER 53 N 1.69 0.54 -0.15 0.00 3.41 -0.66 -0.65 113.62 117.80 1wc2 n SER 53 Ca -0.12 0.99 -0.07 0.00 -0.26 0.00 0.00 58.87 59.41 1wc2 n SER 53 Cb 0.52 -1.27 -0.01 0.00 -0.26 0.00 0.00 64.21 63.18 1wc2 n SER 53 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1wc2 h GLN 54 N 1.25 -0.22 0.00 4.33 5.75 -1.52 -0.40 115.11 124.29 1wc2 h GLN 54 Ca -0.43 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.03 1wc2 h GLN 54 Cb 1.36 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.95 1wc2 h GLN 54 CO 0.55 -0.15 -0.25 0.52 -2.65 0.00 0.00 178.83 176.85 1wc2 h MET 55 N -0.23 0.00 0.00 1.69 2.86 -1.82 -0.93 114.93 116.51 1wc2 h MET 55 Ca 0.19 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.59 1wc2 h MET 55 Cb 0.54 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.22 1wc2 h MET 55 CO -0.59 0.25 -0.92 -0.92 1.06 0.00 0.00 176.91 175.80 1wc2 h TYR 56 N 0.00 0.92 -0.54 -0.22 3.20 -1.53 -2.86 116.97 115.93 1wc2 h TYR 56 Ca -0.00 -0.50 0.10 0.00 3.14 0.00 0.00 58.73 61.47 1wc2 h TYR 56 Cb 0.60 -0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.68 1wc2 h TYR 56 CO 0.00 1.33 0.04 0.35 -1.64 0.00 0.00 178.16 178.25 1wc2 h PHE 57 N 0.25 0.05 -1.56 -3.82 3.57 -0.57 -3.39 116.94 111.47 1wc2 h PHE 57 Ca -0.11 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.53 1wc2 h PHE 57 Cb 1.59 0.06 -0.21 0.00 2.79 0.00 0.00 35.95 40.18 1wc2 h PHE 57 CO 0.12 -0.09 -0.05 0.34 -2.23 0.00 0.00 178.31 176.40 1wc2 s ASP 58 N -5.27 -1.01 0.52 0.41 -1.08 -0.40 -2.00 116.67 107.84 1wc2 s ASP 58 Ca -0.13 1.24 0.31 0.00 -0.52 0.00 0.00 52.55 53.44 1wc2 s ASP 58 Cb 0.17 2.09 1.28 0.00 -1.46 0.00 0.00 42.92 45.00 1wc2 s ASP 58 CO 0.73 -0.19 1.96 0.77 0.52 0.00 0.00 175.17 178.96 1wc2 h SER 59 N 7.87 0.00 -0.17 -0.34 4.64 -1.73 -1.50 113.55 122.32 1wc2 h SER 59 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1wc2 h SER 59 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1wc2 h SER 59 CO 0.11 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 1wc2 n GLY 60 N -0.05 -0.05 2.29 -0.77 0.00 -1.26 -4.92 105.19 100.43 1wc2 n GLY 60 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 1wc2 n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wc2 n ASN 61 N 0.01 -4.18 -4.76 1.61 4.05 -0.56 -5.00 115.26 106.42 1wc2 n ASN 61 Ca 0.06 0.24 -0.38 0.00 0.45 0.00 0.00 54.58 54.95 1wc2 n ASN 61 Cb 0.17 -2.57 0.02 0.00 1.23 0.00 0.00 39.78 38.63 1wc2 n ASN 61 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1wc2 s LYS 62 N -2.86 3.49 0.00 1.20 1.02 -1.26 -4.94 119.74 116.39 1wc2 s LYS 62 Ca 0.00 2.12 0.20 0.00 0.02 0.00 0.00 55.97 58.30 1wc2 s LYS 62 Cb 0.00 -2.41 0.45 0.00 -0.52 0.00 0.00 37.83 35.35 1wc2 s LYS 62 CO 0.00 -0.87 1.38 0.41 -0.92 0.00 0.00 175.35 175.35 1wc2 n GLY 63 N 0.63 2.07 3.41 -3.33 0.00 -1.26 -4.69 105.19 102.01 1wc2 n GLY 63 Ca 0.08 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 1wc2 n GLY 63 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1wc2 s TRP 64 N -1.18 -0.74 -1.29 1.61 -0.11 -1.26 -4.75 118.94 111.22 1wc2 s TRP 64 Ca 0.37 1.57 -0.03 0.00 1.22 0.00 0.00 56.10 59.23 1wc2 s TRP 64 Cb 0.21 0.37 -0.00 0.00 -1.50 0.00 0.00 33.47 32.54 1wc2 s TRP 64 CO 0.28 -0.39 0.67 0.00 -4.62 0.00 0.00 176.95 172.88 1wc2 s GLY 66 N -4.21 1.74 0.31 0.00 0.00 -1.26 -4.91 107.32 98.98 1wc2 s GLY 66 Ca 0.08 0.45 0.03 0.00 0.00 0.00 0.00 44.72 45.29 1wc2 s GLY 66 CO 0.83 0.83 1.59 -1.61 0.00 0.00 0.00 173.10 174.73 1wc2 h GLN 67 N -1.35 0.04 -0.64 2.90 4.15 -1.76 -2.03 115.11 116.41 1wc2 h GLN 67 Ca -0.44 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1wc2 h GLN 67 Cb 1.25 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1wc2 h GLN 67 CO 0.47 0.03 0.00 0.72 -1.93 0.00 0.00 178.83 178.12 1wc2 n HIS 68 N -5.42 1.16 -1.67 3.99 8.25 -0.85 -4.94 115.22 115.74 1wc2 n HIS 68 Ca 0.24 -0.56 -0.45 0.00 -0.26 0.00 0.00 57.72 56.69 1wc2 n HIS 68 Cb 0.79 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.74 1wc2 n HIS 68 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wc2 n GLY 70 N 2.42 1.69 3.76 0.00 0.00 -0.00 -5.01 105.19 108.04 1wc2 n GLY 70 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1wc2 n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wc2 s GLN 71 N -0.10 4.78 -0.15 1.61 0.74 -0.94 -4.74 119.66 120.86 1wc2 s GLN 71 Ca 0.00 1.51 -0.09 0.00 0.05 0.00 0.00 55.36 56.84 1wc2 s GLN 71 Cb 0.00 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.87 1wc2 s GLN 71 CO 0.00 0.44 0.14 0.00 -0.55 0.00 0.00 175.29 175.32 1wc2 s ILE 73 N -0.39 1.87 -0.24 0.00 -1.09 -0.18 -1.85 121.20 119.32 1wc2 s ILE 73 Ca 0.12 -0.82 -0.21 0.00 -2.23 0.00 0.00 60.65 57.51 1wc2 s ILE 73 Cb -0.12 -1.71 -0.02 0.00 -1.58 0.00 0.00 42.46 39.04 1wc2 s ILE 73 CO 0.02 0.51 0.68 -0.75 -1.23 0.00 0.00 174.94 174.16 1wc2 s LYS 74 N 1.34 4.16 -0.14 2.79 2.20 -0.02 -1.08 119.74 128.99 1wc2 s LYS 74 Ca 0.04 0.67 -0.05 0.00 -0.36 0.00 0.00 55.97 56.27 1wc2 s LYS 74 Cb -0.13 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 1wc2 s LYS 74 CO -0.12 -0.39 0.06 -0.51 -0.36 0.00 0.00 175.35 174.03 1wc2 s LEU 75 N 2.43 3.85 -0.11 5.43 1.43 -0.32 -2.20 118.68 129.19 1wc2 s LEU 75 Ca 0.29 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1wc2 s LEU 75 Cb -0.16 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1wc2 s LEU 75 CO 0.09 0.29 -0.22 -0.89 0.23 0.00 0.00 176.35 175.85 1wc2 s THR 76 N -0.36 1.97 0.29 5.49 2.01 -0.29 -2.45 115.64 122.30 1wc2 s THR 76 Ca 0.09 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 1wc2 s THR 76 Cb -0.12 -1.72 -0.10 0.00 0.01 0.00 0.00 72.50 70.57 1wc2 s THR 76 CO 0.02 0.54 1.18 0.42 -0.69 0.00 0.00 174.62 176.09 1wc2 s THR 77 N 0.52 3.22 -0.43 -0.82 -4.23 0.09 -0.94 115.64 113.05 1wc2 s THR 77 Ca -0.15 1.21 0.23 0.00 -1.18 0.00 0.00 61.69 61.80 1wc2 s THR 77 Cb -0.17 -3.77 0.21 0.00 1.34 0.00 0.00 72.50 70.11 1wc2 s THR 77 CO 0.05 0.28 1.44 0.71 -0.54 0.00 0.00 174.62 176.55 1wc2 h THR 78 N 3.15 0.00 0.00 3.99 1.35 -1.69 -1.37 112.91 118.34 1wc2 h THR 78 Ca -0.47 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1wc2 h THR 78 Cb 1.22 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1wc2 h THR 78 CO 0.67 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1wc2 n GLY 79 N 1.17 1.99 2.69 5.82 0.00 -1.26 -4.68 105.19 110.92 1wc2 n GLY 79 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1wc2 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wc2 n GLY 80 N -1.96 1.31 3.55 -0.02 0.00 -1.26 -4.16 105.19 102.65 1wc2 n GLY 80 Ca 0.00 -2.10 -0.07 0.00 0.00 0.00 0.00 46.02 43.85 1wc2 n GLY 80 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wc2 s TYR 81 N -1.77 -0.26 -0.11 1.61 -0.85 -0.24 -1.42 117.35 114.31 1wc2 s TYR 81 Ca 0.44 0.19 -0.30 0.00 -0.52 0.00 0.00 57.07 56.89 1wc2 s TYR 81 Cb -0.03 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.81 1wc2 s TYR 81 CO 0.29 -0.39 1.16 0.08 -1.52 0.00 0.00 175.55 175.17 1wc2 s VAL 82 N -2.65 4.41 0.15 -3.49 1.01 -1.26 -1.14 120.40 117.43 1wc2 s VAL 82 Ca 0.06 1.71 -0.34 0.00 0.00 0.00 0.00 61.98 63.41 1wc2 s VAL 82 Cb -0.01 -4.10 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 1wc2 s VAL 82 CO -0.06 -0.05 1.41 -2.65 0.00 0.00 0.00 175.10 173.75 1wc2 n PRO 83 N 5.59 1.64 -0.90 2.72 -0.02 -1.26 -1.15 135.00 141.62 1wc2 n PRO 83 Ca 0.11 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1wc2 n PRO 83 Cb 0.46 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1wc2 n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wc2 n GLY 84 N 2.71 0.55 1.89 -1.23 0.00 -1.26 -4.81 105.19 103.05 1wc2 n GLY 84 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1wc2 n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wc2 n GLN 85 N -1.90 0.69 -3.56 1.61 1.13 -0.30 -5.10 117.38 109.96 1wc2 n GLN 85 Ca 0.00 -2.58 0.00 0.00 -1.94 0.00 0.00 57.00 52.48 1wc2 n GLN 85 Cb 0.06 -0.62 0.00 0.00 0.11 0.00 0.00 30.24 29.79 1wc2 n GLN 85 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wc2 n GLY 86 N 0.06 -1.23 3.75 1.08 0.00 -1.18 -4.63 105.19 103.04 1wc2 n GLY 86 Ca 0.08 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1wc2 n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wc2 s GLY 87 N 0.00 0.48 0.57 -0.02 0.00 -0.65 -4.91 107.32 102.78 1wc2 s GLY 87 Ca 0.00 -0.80 -0.21 0.00 0.00 0.00 0.00 44.72 43.71 1wc2 s GLY 87 CO 0.00 -0.40 1.35 -4.14 0.00 0.00 0.00 173.10 169.90 1wc2 s PRO 88 N -2.86 3.02 0.01 2.90 0.02 -1.26 -4.63 135.00 132.21 1wc2 s PRO 88 Ca 0.18 2.20 -0.18 0.00 0.02 0.00 0.00 61.00 63.22 1wc2 s PRO 88 Cb -0.04 -2.17 0.03 0.00 0.02 0.00 0.00 34.50 32.34 1wc2 s PRO 88 CO 0.12 -1.27 0.40 0.54 -0.33 0.00 0.00 177.00 176.45 1wc2 s VAL 89 N -1.32 0.05 0.35 3.83 0.11 -1.26 -4.77 120.40 117.39 1wc2 s VAL 89 Ca 0.74 -0.43 -0.29 0.00 -2.93 0.00 0.00 61.98 59.07 1wc2 s VAL 89 Cb -0.40 -0.83 -0.11 0.00 -1.53 0.00 0.00 36.38 33.51 1wc2 s VAL 89 CO 0.46 -0.24 1.51 -0.60 -3.33 0.00 0.00 175.10 172.90 1wc2 s ARG 90 N -1.91 4.13 0.35 1.54 3.52 -1.26 -4.39 118.95 120.92 1wc2 s ARG 90 Ca -0.09 2.55 -0.27 0.00 -0.13 0.00 0.00 55.73 57.80 1wc2 s ARG 90 Cb -0.02 -2.99 -0.09 0.00 -1.56 0.00 0.00 34.95 30.28 1wc2 s ARG 90 CO 0.01 -0.55 1.10 -2.00 -0.81 0.00 0.00 175.30 173.06 1wc2 s GLU 91 N -1.57 4.36 0.00 5.12 2.12 -1.26 -4.03 118.70 123.44 1wc2 s GLU 91 Ca 0.56 1.72 0.00 0.00 0.36 0.00 0.00 54.97 57.60 1wc2 s GLU 91 Cb -0.46 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1wc2 s GLU 91 CO 0.58 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.69 1wc2 n GLY 92 N 0.78 0.74 3.78 -1.50 0.00 -0.52 -4.94 105.19 103.54 1wc2 n GLY 92 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1wc2 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wc2 s LEU 93 N 0.00 4.04 -0.02 0.99 1.43 -1.26 -4.77 118.68 119.09 1wc2 s LEU 93 Ca 0.00 2.07 -0.09 0.00 -1.03 0.00 0.00 54.13 55.08 1wc2 s LEU 93 Cb 0.00 -4.29 0.01 0.00 0.03 0.00 0.00 46.19 41.94 1wc2 s LEU 93 CO 0.00 -0.66 0.19 -0.55 0.23 0.00 0.00 176.35 175.56 1wc2 s SER 94 N -1.62 -0.08 0.12 2.29 0.15 -1.26 -0.73 113.70 112.57 1wc2 s SER 94 Ca 0.61 0.02 -0.13 0.00 0.70 0.00 0.00 55.95 57.16 1wc2 s SER 94 Cb -0.22 0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.40 1wc2 s SER 94 CO 0.27 -0.30 0.32 -0.54 1.20 0.00 0.00 173.24 174.19 1wc2 s LYS 95 N -0.96 1.03 -0.10 5.44 -0.14 -1.02 -5.02 119.74 118.97 1wc2 s LYS 95 Ca -0.10 -0.87 0.01 0.00 -1.36 0.00 0.00 55.97 53.64 1wc2 s LYS 95 Cb -0.05 0.42 -0.02 0.00 -1.68 0.00 0.00 37.83 36.49 1wc2 s LYS 95 CO 0.02 -0.38 -0.11 0.99 -0.76 0.00 0.00 175.35 175.11 1wc2 s THR 96 N -3.85 3.30 -0.07 2.17 2.01 -1.26 -1.18 115.64 116.76 1wc2 s THR 96 Ca 0.06 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.51 1wc2 s THR 96 Cb 0.03 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 1wc2 s THR 96 CO -0.09 0.55 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.78 1wc2 s PHE 97 N -0.19 2.47 -0.04 4.92 0.40 -0.24 -4.58 117.98 120.72 1wc2 s PHE 97 Ca 0.01 -0.82 -0.23 0.00 -0.60 0.00 0.00 56.93 55.29 1wc2 s PHE 97 Cb -0.13 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1wc2 s PHE 97 CO 0.03 -0.28 0.67 1.41 0.70 0.00 0.00 175.22 177.75 1wc2 s MET 98 N -0.01 4.42 -0.25 0.44 -2.45 -0.64 -1.01 119.30 119.80 1wc2 s MET 98 Ca -0.08 0.85 -0.29 0.00 -1.25 0.00 0.00 55.69 54.91 1wc2 s MET 98 Cb -0.15 -3.41 -0.01 0.00 1.25 0.00 0.00 34.83 32.50 1wc2 s MET 98 CO 0.05 0.16 1.44 0.42 1.05 0.00 0.00 175.02 178.15 1wc2 s ILE 99 N 0.46 3.94 -0.01 10.11 1.01 -0.15 -1.09 121.20 135.47 1wc2 s ILE 99 Ca 0.36 1.07 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1wc2 s ILE 99 Cb -0.18 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1wc2 s ILE 99 CO 0.18 -0.36 0.36 0.35 0.00 0.00 0.00 174.94 175.47 1wc2 n THR 100 N 6.20 0.00 -3.95 2.92 -2.24 -0.47 -0.82 114.28 115.93 1wc2 n THR 100 Ca 0.16 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 1wc2 n THR 100 Cb 0.46 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 1wc2 n THR 100 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wc2 s ASN 101 N -0.30 -0.03 -0.12 3.42 2.47 -1.07 -2.95 114.94 116.36 1wc2 s ASN 101 Ca 0.00 -0.92 -0.04 0.00 0.42 0.00 0.00 52.86 52.33 1wc2 s ASN 101 Cb 0.00 0.66 -0.03 0.00 -1.45 0.00 0.00 41.25 40.43 1wc2 s ASN 101 CO 0.00 -1.27 0.02 -0.22 -3.72 0.00 0.00 177.10 171.91 1wc2 s LEU 102 N -3.02 3.67 -0.55 3.21 2.96 -1.26 -1.56 118.68 122.13 1wc2 s LEU 102 Ca 0.19 0.13 -0.15 0.00 -0.22 0.00 0.00 54.13 54.08 1wc2 s LEU 102 Cb -0.03 -1.87 0.13 0.00 0.50 0.00 0.00 46.19 44.93 1wc2 s LEU 102 CO 0.10 0.31 0.50 0.00 -1.32 0.00 0.00 176.35 175.94 1wc2 s PRO 104 N 1.51 3.82 -1.41 0.00 0.04 -1.26 -1.96 135.00 135.73 1wc2 s PRO 104 Ca 0.04 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.38 1wc2 s PRO 104 Cb -0.29 -2.19 0.06 0.00 0.04 0.00 0.00 34.50 32.12 1wc2 s PRO 104 CO 0.02 -0.43 2.10 0.27 0.04 0.00 0.00 177.00 179.00 1wc2 n ASN 105 N -0.81 4.19 -3.69 6.66 6.94 -1.26 -4.59 115.26 122.70 1wc2 n ASN 105 Ca 0.09 -2.88 -0.10 0.00 -0.02 0.00 0.00 54.58 51.67 1wc2 n ASN 105 Cb 0.52 -1.66 -0.04 0.00 -2.36 0.00 0.00 39.78 36.23 1wc2 n ASN 105 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1wc2 s ILE 106 N 3.19 0.04 0.29 1.53 -4.36 -1.26 -4.97 121.20 115.66 1wc2 s ILE 106 Ca 0.48 -0.68 -0.29 0.00 -0.26 0.00 0.00 60.65 59.89 1wc2 s ILE 106 Cb 0.11 -1.41 -0.13 0.00 1.25 0.00 0.00 42.46 42.29 1wc2 s ILE 106 CO -0.05 -0.18 1.31 0.00 0.24 0.00 0.00 174.94 176.25 1wc2 n TYR 107 N -0.30 2.09 -0.67 1.37 9.36 -1.26 -0.22 117.16 127.53 1wc2 n TYR 107 Ca -0.12 0.52 0.01 0.00 3.32 0.00 0.00 57.90 61.63 1wc2 n TYR 107 Cb 0.63 -2.41 0.31 0.00 -0.63 0.00 0.00 39.34 37.24 1wc2 n TYR 107 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1wc2 n PRO 108 N 1.23 3.95 -0.51 2.98 -0.04 -1.26 -4.92 135.00 136.43 1wc2 n PRO 108 Ca 0.08 -2.68 0.09 0.00 -0.04 0.00 0.00 63.50 60.95 1wc2 n PRO 108 Cb 0.33 -2.14 0.31 0.00 -0.04 0.00 0.00 33.50 31.97 1wc2 n PRO 108 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wc2 n ASN 109 N 0.28 4.32 0.31 3.54 3.02 0.69 -4.69 115.26 122.74 1wc2 n ASN 109 Ca 0.29 -2.44 0.19 0.00 -0.03 0.00 0.00 54.58 52.59 1wc2 n ASN 109 Cb 1.14 -0.51 1.01 0.00 -0.61 0.00 0.00 39.78 40.81 1wc2 n ASN 109 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 1wc2 h GLN 110 N 3.43 0.00 0.00 3.52 -0.00 -1.85 -1.03 115.11 119.18 1wc2 h GLN 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1wc2 h GLN 110 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 1wc2 h GLN 110 CO 0.19 0.02 -0.85 -0.44 -0.00 0.00 0.00 178.83 177.74 1wc2 h ASP 111 N 0.00 0.00 0.00 0.06 3.32 -1.93 -3.41 116.42 114.47 1wc2 h ASP 111 Ca -0.00 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 1wc2 h ASP 111 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1wc2 h ASP 111 CO 0.00 0.06 -1.31 0.79 -1.72 0.00 0.00 179.24 177.06 1wc2 n TRP 112 N -2.41 0.00 -1.18 4.55 7.02 -0.70 -1.58 117.44 123.14 1wc2 n TRP 112 Ca 0.01 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.57 1wc2 n TRP 112 Cb 0.50 -0.22 0.19 0.00 -2.42 0.00 0.00 31.31 29.36 1wc2 n TRP 112 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wc2 n ASN 114 N -1.14 5.47 -4.72 0.00 6.94 -1.26 -3.97 115.26 116.58 1wc2 n ASN 114 Ca 0.20 -2.88 -0.42 0.00 -0.02 0.00 0.00 54.58 51.46 1wc2 n ASN 114 Cb 0.75 -0.68 -0.01 0.00 -2.36 0.00 0.00 39.78 37.48 1wc2 n ASN 114 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wc2 n GLN 115 N 0.59 2.33 0.07 -3.83 3.00 -1.25 -4.79 117.38 113.50 1wc2 n GLN 115 Ca 0.26 0.82 0.13 0.00 -0.01 0.00 0.00 57.00 58.20 1wc2 n GLN 115 Cb 1.15 -2.47 0.36 0.00 0.00 0.00 0.00 30.24 29.28 1wc2 n GLN 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wc2 n GLY 116 N 1.02 -1.56 3.24 1.08 0.00 -1.26 -4.61 105.19 103.10 1wc2 n GLY 116 Ca 0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1wc2 n GLY 116 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wc2 s SER 117 N -4.07 0.17 0.19 1.61 1.04 -1.26 -5.04 113.70 106.33 1wc2 s SER 117 Ca 0.10 -0.92 -0.09 0.00 0.48 0.00 0.00 55.95 55.52 1wc2 s SER 117 Cb 0.14 0.36 0.08 0.00 0.10 0.00 0.00 66.02 66.70 1wc2 s SER 117 CO 0.63 -0.79 1.67 -0.61 0.98 0.00 0.00 173.24 175.12 1wc2 h GLN 118 N 2.72 1.08 -5.62 4.02 4.15 -1.91 -3.40 115.11 116.16 1wc2 h GLN 118 Ca -0.33 -0.30 -0.46 0.00 0.77 0.00 0.00 58.65 58.33 1wc2 h GLN 118 Cb 1.21 -0.12 -0.16 0.00 0.21 0.00 0.00 27.48 28.61 1wc2 h GLN 118 CO 0.54 1.01 -0.75 0.71 -1.93 0.00 0.00 178.83 178.41 1wc2 s TYR 119 N -5.17 1.65 0.00 3.99 1.51 -1.26 -4.56 117.35 113.50 1wc2 s TYR 119 Ca -0.12 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.39 1wc2 s TYR 119 Cb 0.14 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 41.18 1wc2 s TYR 119 CO 0.85 0.28 0.00 0.41 -1.11 0.00 0.00 175.55 175.98 1wc2 n GLY 120 N 0.06 2.26 0.00 0.71 0.00 -1.26 -5.01 105.19 101.95 1wc2 n GLY 120 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1wc2 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wc2 n GLY 121 N -2.00 0.30 3.44 -0.02 0.00 -1.26 -4.63 105.19 101.03 1wc2 n GLY 121 Ca 0.00 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 1wc2 n GLY 121 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wc2 s HIS 122 N 0.17 -0.57 0.39 1.61 -3.43 -1.26 -3.57 115.29 108.63 1wc2 s HIS 122 Ca 0.00 1.27 -0.06 0.00 -0.80 0.00 0.00 55.06 55.46 1wc2 s HIS 122 Cb 0.00 0.23 0.09 0.00 -1.43 0.00 0.00 32.58 31.47 1wc2 s HIS 122 CO 0.00 -0.37 0.53 0.27 -2.00 0.00 0.00 174.74 173.17 1wc2 n ASN 123 N 2.21 0.10 0.07 7.38 0.23 -0.44 -3.86 115.26 120.94 1wc2 n ASN 123 Ca -0.16 -1.23 0.09 0.00 -0.53 0.00 0.00 54.58 52.76 1wc2 n ASN 123 Cb 0.56 -0.40 0.40 0.00 -2.08 0.00 0.00 39.78 38.26 1wc2 n ASN 123 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1wc2 n LYS 124 N -2.11 0.10 -0.09 -3.83 5.02 -0.62 -1.61 118.16 115.02 1wc2 n LYS 124 Ca 0.07 0.34 0.10 0.00 -2.02 0.00 0.00 58.31 56.80 1wc2 n LYS 124 Cb 0.24 -1.69 0.13 0.00 -0.02 0.00 0.00 35.03 33.69 1wc2 n LYS 124 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1wc2 n TYR 125 N -1.88 0.23 0.00 2.13 4.02 -1.26 -4.99 117.16 115.41 1wc2 n TYR 125 Ca 0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1wc2 n TYR 125 Cb 0.20 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 1wc2 n TYR 125 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wc2 n GLY 126 N 1.15 0.59 3.77 2.72 0.00 -0.64 -4.95 105.19 107.83 1wc2 n GLY 126 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1wc2 n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wc2 s TYR 127 N -2.00 3.62 -0.69 1.61 1.51 -1.26 -1.05 117.35 119.08 1wc2 s TYR 127 Ca 0.00 0.95 0.25 0.00 -1.01 0.00 0.00 57.07 57.26 1wc2 s TYR 127 Cb 0.00 -2.44 0.90 0.00 -0.11 0.00 0.00 41.96 40.30 1wc2 s TYR 127 CO 0.00 0.39 1.76 -0.85 -1.11 0.00 0.00 175.55 175.73 1wc2 n GLU 128 N 2.80 0.20 -3.96 -0.62 0.28 -1.23 -1.32 120.64 116.79 1wc2 n GLU 128 Ca -0.10 0.26 -0.12 0.00 -0.16 0.00 0.00 57.16 57.04 1wc2 n GLU 128 Cb 0.52 -1.78 -0.13 0.00 1.43 0.00 0.00 31.44 31.47 1wc2 n GLU 128 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1wc2 s LEU 129 N -4.30 2.07 -0.02 -1.84 2.96 -1.26 -4.73 118.68 111.55 1wc2 s LEU 129 Ca 0.09 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 1wc2 s LEU 129 Cb 0.12 -0.04 -0.00 0.00 0.50 0.00 0.00 46.19 46.77 1wc2 s LEU 129 CO 0.51 -0.06 -0.11 -2.28 -1.32 0.00 0.00 176.35 173.09 1wc2 s HIS 130 N -0.41 1.07 -0.12 5.38 5.65 -1.26 -2.33 115.29 123.27 1wc2 s HIS 130 Ca -0.04 -0.26 0.03 0.00 0.25 0.00 0.00 55.06 55.04 1wc2 s HIS 130 Cb -0.03 -0.74 0.01 0.00 -1.18 0.00 0.00 32.58 30.64 1wc2 s HIS 130 CO -0.00 -0.09 -0.21 -0.51 -0.65 0.00 0.00 174.74 173.28 1wc2 s LEU 131 N 0.08 2.00 -0.30 8.88 1.43 -0.70 -1.65 118.68 128.41 1wc2 s LEU 131 Ca -0.02 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.32 1wc2 s LEU 131 Cb -0.08 -1.33 -0.00 0.00 0.03 0.00 0.00 46.19 44.81 1wc2 s LEU 131 CO 0.00 0.09 0.75 -0.62 0.23 0.00 0.00 176.35 176.80 1wc2 s ASP 132 N 0.70 6.63 -0.24 2.29 -1.08 -0.25 -2.16 116.67 122.55 1wc2 s ASP 132 Ca -0.11 0.63 -0.14 0.00 -0.52 0.00 0.00 52.55 52.41 1wc2 s ASP 132 Cb -0.16 -2.39 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 1wc2 s ASP 132 CO 0.02 -0.57 0.31 -0.76 0.52 0.00 0.00 175.17 174.68 1wc2 s LEU 133 N 2.86 4.09 0.20 -1.34 1.43 0.14 -0.86 118.68 125.19 1wc2 s LEU 133 Ca 0.31 0.28 -0.32 0.00 -1.03 0.00 0.00 54.13 53.36 1wc2 s LEU 133 Cb -0.14 -2.34 -0.12 0.00 0.03 0.00 0.00 46.19 43.62 1wc2 s LEU 133 CO 0.12 -0.08 1.74 1.21 0.23 0.00 0.00 176.35 179.57 1wc2 n GLU 134 N 4.79 2.77 -0.37 1.70 4.07 -0.74 -1.52 120.64 131.33 1wc2 n GLU 134 Ca -0.11 1.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.99 1wc2 n GLU 134 Cb 0.51 -2.85 0.00 0.00 -0.06 0.00 0.00 31.44 29.04 1wc2 n GLU 134 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1wc2 n ASN 135 N 4.19 0.00 0.31 4.31 5.15 0.38 -4.55 115.26 125.05 1wc2 n ASN 135 Ca 0.16 -1.67 0.19 0.00 -0.60 0.00 0.00 54.58 52.66 1wc2 n ASN 135 Cb 0.35 -0.13 1.00 0.00 -0.53 0.00 0.00 39.78 40.47 1wc2 n ASN 135 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1wc2 h GLY 136 N 0.00 0.00 -1.55 8.20 0.00 -1.84 -0.78 103.07 107.10 1wc2 h GLY 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wc2 h GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1wc2 n ARG 137 N -3.25 2.94 -2.08 4.80 1.74 -1.26 -4.97 116.66 114.58 1wc2 n ARG 137 Ca -0.02 -2.67 -0.20 0.00 -0.77 0.00 0.00 57.85 54.20 1wc2 n ARG 137 Cb 0.15 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.46 29.83 1wc2 n ARG 137 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wc2 n SER 138 N -0.26 -5.52 0.21 0.55 7.64 -0.30 -4.89 113.62 111.05 1wc2 n SER 138 Ca 0.19 0.16 0.05 0.00 1.01 0.00 0.00 58.87 60.28 1wc2 n SER 138 Cb 0.79 -4.63 0.49 0.00 -1.01 0.00 0.00 64.21 59.85 1wc2 n SER 138 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1wc2 h GLN 139 N 0.00 0.02 0.00 1.43 -0.00 -1.85 0.61 115.11 115.33 1wc2 h GLN 139 Ca -0.44 -0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 57.97 1wc2 h GLN 139 Cb 1.32 -0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.76 1wc2 h GLN 139 CO 0.56 0.20 -1.41 0.28 -0.00 0.00 0.00 178.83 178.46 1wc2 n VAL 140 N -4.32 1.52 0.27 1.86 0.31 -1.26 -4.29 118.33 112.41 1wc2 n VAL 140 Ca -0.02 -0.06 0.14 0.00 -0.01 0.00 0.00 64.34 64.39 1wc2 n VAL 140 Cb 0.25 -2.07 0.72 0.00 -0.91 0.00 0.00 33.84 31.83 1wc2 n VAL 140 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1wc2 h THR 141 N -1.00 0.41 0.00 2.52 1.35 -1.65 -2.01 112.91 112.53 1wc2 h THR 141 Ca -0.36 -0.59 -0.01 0.00 -0.55 0.00 0.00 66.41 64.90 1wc2 h THR 141 Cb 1.24 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1wc2 h THR 141 CO -0.22 0.11 -0.05 1.23 -0.25 0.00 0.00 175.52 176.34 1wc2 h GLY 142 N 1.19 0.00 -0.44 5.82 0.00 -1.06 -0.55 103.07 108.02 1wc2 h GLY 142 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wc2 h GLY 142 CO 0.01 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.58 1wc2 n MET 143 N -3.90 1.53 -1.01 4.80 2.81 -0.77 -4.91 117.12 115.68 1wc2 n MET 143 Ca -0.03 -0.80 -0.00 0.00 -1.81 0.00 0.00 57.70 55.06 1wc2 n MET 143 Cb 0.14 -1.37 -0.00 0.00 -0.71 0.00 0.00 33.22 31.28 1wc2 n MET 143 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wc2 n GLY 144 N 1.04 0.47 3.46 3.03 0.00 -0.21 -5.00 105.19 107.98 1wc2 n GLY 144 Ca 0.16 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1wc2 n GLY 144 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wc2 s TRP 145 N -1.98 2.76 -0.80 1.61 0.52 -1.15 -4.71 118.94 115.19 1wc2 s TRP 145 Ca 0.00 -0.45 -0.09 0.00 0.02 0.00 0.00 56.10 55.58 1wc2 s TRP 145 Cb 0.00 -4.15 0.21 0.00 -1.15 0.00 0.00 33.47 28.38 1wc2 s TRP 145 CO 0.00 -1.50 0.71 1.21 0.02 0.00 0.00 176.95 177.39 1wc2 s ASN 146 N 3.39 6.26 -1.33 2.95 3.04 -1.26 -3.80 114.94 124.19 1wc2 s ASN 146 Ca 0.23 -2.96 -0.08 0.00 0.04 0.00 0.00 52.86 50.08 1wc2 s ASN 146 Cb -0.17 -2.07 0.00 0.00 -1.54 0.00 0.00 41.25 37.48 1wc2 s ASN 146 CO 0.12 -0.43 0.51 0.59 -3.04 0.00 0.00 177.10 174.85 1wc2 n ASN 147 N 3.49 -1.84 -4.75 -4.21 3.02 -1.26 -1.64 115.26 108.07 1wc2 n ASN 147 Ca 0.14 -1.05 -0.37 0.00 -0.03 0.00 0.00 54.58 53.27 1wc2 n ASN 147 Cb 0.42 -2.94 0.03 0.00 -0.61 0.00 0.00 39.78 36.68 1wc2 n ASN 147 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wc2 s PRO 148 N -6.52 3.13 0.27 3.52 0.04 -1.26 -4.50 135.00 129.67 1wc2 s PRO 148 Ca 0.17 1.96 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1wc2 s PRO 148 Cb -0.07 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 1wc2 s PRO 148 CO 0.89 -1.12 1.20 -2.00 0.04 0.00 0.00 177.00 176.02 1wc2 s GLU 149 N -3.10 4.50 0.14 4.56 2.12 -0.51 -3.85 118.70 122.57 1wc2 s GLU 149 Ca 0.74 1.97 0.01 0.00 0.36 0.00 0.00 54.97 58.05 1wc2 s GLU 149 Cb -0.34 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1wc2 s GLU 149 CO 0.38 -0.01 0.01 0.95 -0.54 0.00 0.00 175.26 176.05 1wc2 s THR 150 N -0.85 0.46 0.15 -1.70 -4.23 -0.72 -1.85 115.64 106.91 1wc2 s THR 150 Ca 0.48 -1.94 0.05 0.00 -1.18 0.00 0.00 61.69 59.11 1wc2 s THR 150 Cb -0.35 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1wc2 s THR 150 CO 0.44 -0.58 0.10 0.42 -0.54 0.00 0.00 174.62 174.46 1wc2 s THR 151 N -3.80 4.34 0.05 3.99 -4.23 -0.12 -0.77 115.64 115.11 1wc2 s THR 151 Ca 0.21 -1.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1wc2 s THR 151 Cb 0.07 -3.19 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 1wc2 s THR 151 CO 0.01 -0.07 -0.07 -1.66 -0.54 0.00 0.00 174.62 172.29 1wc2 s TRP 152 N -1.68 0.70 0.02 3.99 1.48 -1.12 -1.13 118.94 121.21 1wc2 s TRP 152 Ca 0.30 -0.60 -0.21 0.00 -1.06 0.00 0.00 56.10 54.52 1wc2 s TRP 152 Cb -0.10 -0.42 0.05 0.00 -1.16 0.00 0.00 33.47 31.83 1wc2 s TRP 152 CO 0.22 -0.11 0.48 -1.83 -4.06 0.00 0.00 176.95 171.66 1wc2 s GLU 153 N -2.12 0.95 0.06 3.25 -1.05 -0.93 -4.77 118.70 114.08 1wc2 s GLU 153 Ca -0.05 -0.18 -0.27 0.00 -0.15 0.00 0.00 54.97 54.32 1wc2 s GLU 153 Cb -0.06 0.43 -0.05 0.00 -0.44 0.00 0.00 34.13 34.00 1wc2 s GLU 153 CO -0.01 -0.32 0.83 0.08 0.95 0.00 0.00 175.26 176.79 1wc2 s VAL 154 N -2.07 4.67 0.15 1.83 1.01 -1.26 -0.84 120.40 123.90 1wc2 s VAL 154 Ca -0.08 1.77 0.01 0.00 0.00 0.00 0.00 61.98 63.69 1wc2 s VAL 154 Cb -0.01 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1wc2 s VAL 154 CO 0.01 0.34 0.01 0.68 0.00 0.00 0.00 175.10 176.14 1wc2 s VAL 155 N 0.02 0.48 -0.10 2.92 -7.23 -0.77 -4.91 120.40 110.81 1wc2 s VAL 155 Ca 0.41 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 1wc2 s VAL 155 Cb -0.21 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 1wc2 s VAL 155 CO 0.25 -0.52 1.26 0.21 -0.31 0.00 0.00 175.10 176.00 1wc2 s ASN 156 N -3.12 6.97 0.26 4.85 3.84 -1.26 -4.16 114.94 122.32 1wc2 s ASN 156 Ca 0.23 1.80 -0.03 0.00 0.21 0.00 0.00 52.86 55.07 1wc2 s ASN 156 Cb 0.07 -2.55 0.40 0.00 -0.55 0.00 0.00 41.25 38.62 1wc2 s ASN 156 CO 0.02 -0.69 1.85 0.00 -2.79 0.00 0.00 177.10 175.50 1wc2 h ASP 158 N 1.03 0.94 -0.79 0.00 3.32 -1.92 0.45 116.42 119.45 1wc2 h ASP 158 Ca 0.42 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.27 1wc2 h ASP 158 Cb 0.25 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1wc2 h ASP 158 CO -0.20 0.90 0.52 0.28 -1.72 0.00 0.00 179.24 179.02 1wc2 h SER 159 N 0.93 0.89 0.53 6.45 0.02 -1.93 -2.37 113.55 118.08 1wc2 h SER 159 Ca 0.21 -0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 60.87 1wc2 h SER 159 Cb 0.30 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.62 1wc2 h SER 159 CO -0.01 0.64 -1.16 -0.33 -1.14 0.00 0.00 176.83 174.84 1wc2 h GLU 160 N 1.06 0.32 -0.91 3.45 4.39 -1.42 -3.17 114.58 118.30 1wc2 h GLU 160 Ca 0.29 -0.48 0.14 0.00 0.34 0.00 0.00 59.36 59.66 1wc2 h GLU 160 Cb -0.11 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.64 1wc2 h GLU 160 CO -0.07 1.19 0.58 1.25 -1.16 0.00 0.00 179.01 180.81 1wc2 h HIS 161 N 0.12 0.86 -0.87 4.33 -0.00 -0.73 -1.73 115.15 117.14 1wc2 h HIS 161 Ca -0.12 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.30 1wc2 h HIS 161 Cb 1.86 -0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 28.95 1wc2 h HIS 161 CO 0.07 0.32 0.57 -0.91 -0.00 0.00 0.00 177.93 177.97 1wc2 h ASN 162 N 0.73 0.94 0.75 3.26 2.35 -1.40 -2.77 115.58 119.44 1wc2 h ASN 162 Ca 0.46 -0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.95 1wc2 h ASN 162 Cb 0.69 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1wc2 h ASN 162 CO -0.22 0.65 -1.11 0.45 -1.65 0.00 0.00 177.43 175.56 1wc2 h HIS 163 N 1.09 0.30 -2.16 1.19 3.86 -1.44 -3.44 115.15 114.56 1wc2 h HIS 163 Ca 0.34 -0.21 -0.22 0.00 -1.16 0.00 0.00 60.37 59.12 1wc2 h HIS 163 Cb -0.00 -0.02 -0.32 0.00 1.06 0.00 0.00 27.41 28.13 1wc2 h HIS 163 CO -0.00 1.14 -0.54 0.34 0.86 0.00 0.00 177.93 179.73 1wc2 s ASP 164 N -6.97 0.74 0.46 2.45 -1.08 -0.73 -5.03 116.67 106.50 1wc2 s ASP 164 Ca -0.02 0.02 0.31 0.00 -0.52 0.00 0.00 52.55 52.34 1wc2 s ASP 164 Cb 0.08 0.80 1.56 0.00 -1.46 0.00 0.00 42.92 43.91 1wc2 s ASP 164 CO 0.85 -0.31 1.95 0.45 0.52 0.00 0.00 175.17 178.63 1wc2 h HIS 165 N 8.24 0.00 0.00 -5.34 3.86 -1.79 -1.20 115.15 118.92 1wc2 h HIS 165 Ca -0.18 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.00 1wc2 h HIS 165 Cb 1.15 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.62 1wc2 h HIS 165 CO 0.13 0.00 -0.15 0.00 0.86 0.00 0.00 177.93 178.77 1wc2 h ARG 166 N 0.00 0.00 -6.27 2.45 3.08 -1.89 -3.39 114.38 108.35 1wc2 h ARG 166 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1wc2 h ARG 166 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1wc2 h ARG 166 CO 0.00 0.15 0.97 0.99 -1.07 0.00 0.00 179.97 181.01 1wc2 s THR 167 N -4.32 4.11 0.56 2.04 2.01 -0.45 -0.51 115.64 119.07 1wc2 s THR 167 Ca -0.03 1.28 -0.21 0.00 0.31 0.00 0.00 61.69 63.04 1wc2 s THR 167 Cb 0.14 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1wc2 s THR 167 CO 0.62 -0.32 1.33 -2.84 -0.69 0.00 0.00 174.62 172.71 1wc2 s PRO 168 N 4.01 3.08 0.71 4.92 0.02 -1.26 -4.23 135.00 142.25 1wc2 s PRO 168 Ca 0.58 2.15 -0.11 0.00 0.02 0.00 0.00 61.00 63.64 1wc2 s PRO 168 Cb -0.20 -2.18 0.02 0.00 0.02 0.00 0.00 34.50 32.16 1wc2 s PRO 168 CO 0.21 -1.21 1.10 -1.54 -0.33 0.00 0.00 177.00 175.23 1wc2 s SER 169 N -1.09 5.43 0.33 2.53 1.04 -1.26 -4.66 113.70 116.01 1wc2 s SER 169 Ca 0.73 1.12 0.02 0.00 0.48 0.00 0.00 55.95 58.30 1wc2 s SER 169 Cb -0.39 -1.91 0.60 0.00 0.10 0.00 0.00 66.02 64.42 1wc2 s SER 169 CO 0.45 -1.35 1.96 0.78 0.98 0.00 0.00 173.24 176.06 1wc2 h ASN 170 N -0.66 0.80 -0.70 7.02 2.35 -1.95 -2.17 115.58 120.26 1wc2 h ASN 170 Ca -0.45 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.35 1wc2 h ASN 170 Cb 1.25 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 39.39 1wc2 h ASN 170 CO 0.64 0.55 0.40 -1.28 -1.65 0.00 0.00 177.43 176.09 1wc2 h SER 171 N 0.93 0.61 -0.52 5.81 0.87 -2.00 -1.56 113.55 117.70 1wc2 h SER 171 Ca 0.31 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1wc2 h SER 171 Cb 0.07 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1wc2 h SER 171 CO -0.09 0.40 0.28 0.24 -0.53 0.00 0.00 176.83 177.12 1wc2 h MET 172 N 0.74 0.72 -0.04 2.24 2.86 -1.79 -2.28 114.93 117.39 1wc2 h MET 172 Ca 0.31 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1wc2 h MET 172 Cb 0.17 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1wc2 h MET 172 CO -0.17 0.57 -0.01 -0.92 1.06 0.00 0.00 176.91 177.43 1wc2 h TYR 173 N 0.69 0.05 -0.03 -0.22 3.20 -0.93 -1.71 116.97 118.02 1wc2 h TYR 173 Ca 0.18 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.06 1wc2 h TYR 173 Cb 0.06 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 1wc2 h TYR 173 CO -0.01 0.07 0.11 0.78 -1.64 0.00 0.00 178.16 177.46 1wc2 h GLY 174 N 0.17 0.00 2.00 1.82 0.00 -0.68 0.08 103.07 106.45 1wc2 h GLY 174 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1wc2 h GLY 174 CO 0.00 0.00 -0.21 1.46 0.00 0.00 0.00 176.54 177.79 1wc2 h GLN 175 N 0.00 0.00 -6.93 4.80 4.20 -1.34 -3.46 115.11 112.37 1wc2 h GLN 175 Ca 0.01 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.25 1wc2 h GLN 175 Cb 0.23 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.01 1wc2 h GLN 175 CO -0.00 0.21 0.39 0.00 -0.67 0.00 0.00 178.83 178.77 1wc2 h GLN 177 N 2.75 0.45 0.00 0.00 4.15 -1.30 -2.10 115.11 119.06 1wc2 h GLN 177 Ca -0.48 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1wc2 h GLN 177 Cb 1.21 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1wc2 h GLN 177 CO 0.63 0.36 0.00 0.00 -1.93 0.00 0.00 178.83 177.90 1wc2 n ALA 179 N -1.59 1.67 -0.56 0.00 0.00 -0.79 -5.03 120.51 114.22 1wc2 n ALA 179 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1wc2 n ALA 179 Cb 0.26 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1wc2 n ALA 179 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22