#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 s SER 2 N 0.00 5.63 0.10 8.00 1.04 -1.26 -5.00 113.70 122.20 1s72 s SER 2 Ca 0.00 0.08 -0.26 0.00 0.48 0.00 0.00 55.95 56.25 1s72 s SER 2 Cb 0.00 -1.20 -0.12 0.00 0.10 0.00 0.00 66.02 64.80 1s72 s SER 2 CO 0.00 -0.84 1.68 0.50 0.98 0.00 0.00 173.24 175.56 1s72 h LYS 3 N 0.35 -0.34 -0.63 4.02 3.64 -2.08 -2.38 116.57 119.14 1s72 h LYS 3 Ca -0.44 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.09 1s72 h LYS 3 Cb 1.27 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 33.07 1s72 h LYS 3 CO 0.54 -0.23 0.08 0.87 -2.27 0.00 0.00 179.45 178.45 1s72 h LYS 4 N -0.36 0.19 0.00 1.90 1.57 -2.02 -0.04 116.57 117.82 1s72 h LYS 4 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1s72 h LYS 4 Cb 0.34 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1s72 h LYS 4 CO -0.04 0.13 0.07 -0.22 -0.57 0.00 0.00 179.45 178.81 1s72 h LYS 5 N 0.20 0.00 -0.22 3.15 1.63 -1.82 -2.13 116.57 117.37 1s72 h LYS 5 Ca 0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 1s72 h LYS 5 Cb 0.54 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1s72 h LYS 5 CO -0.48 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.06 1s72 n ARG 6 N -3.00 2.39 0.20 1.90 1.74 -0.03 -4.48 116.66 115.38 1s72 n ARG 6 Ca -0.03 -2.07 0.08 0.00 -0.77 0.00 0.00 57.85 55.06 1s72 n ARG 6 Cb 0.13 -1.49 0.35 0.00 -1.02 0.00 0.00 32.46 30.43 1s72 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1s72 h GLN 7 N 4.46 0.00 -6.19 5.56 1.08 -1.38 -3.44 115.11 115.20 1s72 h GLN 7 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 1s72 h GLN 7 Cb 0.97 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.41 1s72 h GLN 7 CO 0.00 0.30 1.36 1.03 -0.95 0.00 0.00 178.83 180.56 1s72 s ARG 8 N -3.51 3.67 0.00 1.46 1.81 -1.26 -1.03 118.95 120.09 1s72 s ARG 8 Ca 0.01 2.34 0.00 0.00 -1.72 0.00 0.00 55.73 56.36 1s72 s ARG 8 Cb 0.10 -4.26 0.00 0.00 -0.45 0.00 0.00 34.95 30.33 1s72 s ARG 8 CO 0.67 -1.49 0.00 0.41 -0.68 0.00 0.00 175.30 174.20 1s72 n GLY 9 N 5.11 2.21 0.00 -3.53 0.00 -1.26 -4.94 105.19 102.78 1s72 n GLY 9 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 1s72 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s72 n SER 10 N 0.00 0.00 0.00 1.61 3.41 -0.20 -4.93 113.62 113.51 1s72 n SER 10 Ca 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1s72 n SER 10 Cb 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1s72 n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1s72 n ARG 11 N -1.47 0.00 -0.05 4.33 0.63 -1.26 -4.10 116.66 114.74 1s72 n ARG 11 Ca 0.07 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.13 1s72 n ARG 11 Cb 0.31 0.00 0.35 0.00 0.45 0.00 0.00 32.46 33.57 1s72 n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1s72 n THR 12 N 0.00 0.13 -4.32 5.15 -2.24 -1.26 -4.98 114.28 106.75 1s72 n THR 12 Ca 0.00 -0.40 -0.35 0.00 -2.27 0.00 0.00 64.05 61.03 1s72 n THR 12 Cb 0.00 0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 68.92 1s72 n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1s72 n HIS 13 N 0.66 -1.38 -0.92 4.78 8.25 -1.26 -0.79 115.22 124.56 1s72 n HIS 13 Ca 0.17 0.69 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 1s72 n HIS 13 Cb 0.44 -2.66 0.00 0.00 1.12 0.00 0.00 29.99 28.89 1s72 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s72 n GLY 14 N -1.77 0.81 0.11 -1.41 0.00 -1.26 -4.90 105.19 96.77 1s72 n GLY 14 Ca -0.10 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.07 1s72 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 15 N -2.02 -0.78 4.86 -0.02 0.00 0.03 -5.03 105.19 102.24 1s72 n GLY 15 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1s72 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 16 N 1.06 0.42 3.65 -0.02 0.00 -1.26 -4.72 105.19 104.31 1s72 n GLY 16 Ca 0.22 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 1s72 n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s72 n SER 17 N 2.41 1.62 0.00 1.61 2.88 -1.26 -4.81 113.62 116.07 1s72 n SER 17 Ca 0.00 1.00 0.07 0.00 -1.33 0.00 0.00 58.87 58.61 1s72 n SER 17 Cb 0.00 -1.42 0.39 0.00 -0.75 0.00 0.00 64.21 62.43 1s72 n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s72 n HIS 18 N -0.72 0.00 1.30 0.66 -0.00 -1.26 -1.63 115.22 113.57 1s72 n HIS 18 Ca 0.10 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.95 1s72 n HIS 18 Cb 0.41 -0.19 0.50 0.00 -0.00 0.00 0.00 29.99 30.72 1s72 n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1s72 n LYS 19 N -1.19 0.67 0.01 -1.40 5.02 -1.26 -4.54 118.16 115.48 1s72 n LYS 19 Ca 0.08 -0.30 -0.01 0.00 -2.02 0.00 0.00 58.31 56.06 1s72 n LYS 19 Cb 0.09 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1s72 n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1s72 h ASN 20 N 0.74 -0.04 -0.37 4.39 2.35 -1.61 -3.42 115.58 117.63 1s72 h ASN 20 Ca 0.00 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.44 1s72 h ASN 20 Cb 0.43 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1s72 h ASN 20 CO 0.00 0.06 1.00 0.54 -1.65 0.00 0.00 177.43 177.38 1s72 n ARG 21 N -2.61 1.34 0.00 0.81 1.74 -1.26 -4.75 116.66 111.93 1s72 n ARG 21 Ca -0.01 -2.29 0.00 0.00 -0.77 0.00 0.00 57.85 54.78 1s72 n ARG 21 Cb 0.02 -3.69 0.00 0.00 -1.02 0.00 0.00 32.46 27.76 1s72 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1s72 n ARG 22 N 8.16 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 125.71 1s72 n ARG 22 Ca 0.45 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1s72 n ARG 22 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1s72 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s72 n GLY 23 N 5.00 0.90 0.19 -0.13 0.00 -1.26 -4.92 105.19 104.97 1s72 n GLY 23 Ca 0.00 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.36 1s72 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 h ALA 24 N -1.49 1.00 -0.05 4.61 0.00 -1.99 -2.56 119.26 118.78 1s72 h ALA 24 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1s72 h ALA 24 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1s72 h ALA 24 CO 0.00 0.00 -0.09 0.78 0.00 0.00 0.00 179.25 179.94 1s72 h GLY 25 N 0.27 0.08 1.91 0.00 0.00 -1.92 -0.01 103.07 103.39 1s72 h GLY 25 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1s72 h GLY 25 CO 0.00 0.04 0.00 1.57 0.00 0.00 0.00 176.54 178.15 1s72 n HIS 26 N -4.39 0.00 -0.01 5.60 -0.00 -0.96 -2.15 115.22 113.32 1s72 n HIS 26 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.72 1s72 n HIS 26 Cb 0.19 -0.45 0.04 0.00 -0.00 0.00 0.00 29.99 29.77 1s72 n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1s72 n ARG 27 N -1.45 2.09 -2.27 1.57 1.74 -0.16 -4.98 116.66 113.20 1s72 n ARG 27 Ca 0.05 -1.45 -0.12 0.00 -0.77 0.00 0.00 57.85 55.56 1s72 n ARG 27 Cb 0.18 -1.09 -0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1s72 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s72 n GLY 28 N -0.06 -0.12 0.00 -0.13 0.00 -0.91 -4.80 105.19 99.16 1s72 n GLY 28 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1s72 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 29 N -1.03 2.51 3.75 -0.02 0.00 -0.37 -4.56 105.19 105.48 1s72 n GLY 29 Ca -0.14 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 1s72 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s72 s ARG 30 N -3.31 4.30 4.78 1.61 6.06 -1.26 -4.54 118.95 126.59 1s72 s ARG 30 Ca 0.00 2.26 0.00 0.00 -2.50 0.00 0.00 55.73 55.49 1s72 s ARG 30 Cb 0.00 -3.11 0.00 0.00 0.06 0.00 0.00 34.95 31.90 1s72 s ARG 30 CO 0.00 -0.36 0.00 0.41 -2.50 0.00 0.00 175.30 172.85 1s72 n GLY 31 N 1.94 3.10 1.08 8.12 0.00 -1.26 -1.88 105.19 116.29 1s72 n GLY 31 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 1s72 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s72 n ASP 32 N 3.02 2.73 -4.76 1.61 8.00 -1.26 -4.93 116.55 120.95 1s72 n ASP 32 Ca 0.00 -2.26 -0.41 0.00 0.71 0.00 0.00 54.79 52.83 1s72 n ASP 32 Cb 0.00 -0.55 -0.01 0.00 -0.02 0.00 0.00 41.12 40.53 1s72 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s72 s ALA 33 N -0.84 3.72 0.00 2.24 0.00 -0.79 -2.34 121.76 123.75 1s72 s ALA 33 Ca 0.10 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1s72 s ALA 33 Cb 0.08 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1s72 s ALA 33 CO 0.02 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1s72 n GLY 34 N 1.77 0.77 0.00 0.00 0.00 -1.26 -4.77 105.19 101.70 1s72 n GLY 34 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1s72 n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s72 n ARG 35 N -2.34 0.00 0.00 1.61 -4.01 -0.99 -0.00 116.66 110.93 1s72 n ARG 35 Ca 0.00 0.20 0.00 0.00 -1.04 0.00 0.00 57.85 57.01 1s72 n ARG 35 Cb 0.00 -1.53 0.00 0.00 -3.04 0.00 0.00 32.46 27.89 1s72 n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1s72 n ASP 36 N -1.16 0.29 0.00 2.89 5.75 -1.26 -4.02 116.55 119.03 1s72 n ASP 36 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 54.79 54.16 1s72 n ASP 36 Cb 0.03 0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1s72 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1s72 n LYS 37 N -0.46 0.00 0.26 0.11 4.76 0.99 -4.78 118.16 119.05 1s72 n LYS 37 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 1s72 n LYS 37 Cb 0.02 0.00 0.72 0.00 -1.84 0.00 0.00 35.03 33.93 1s72 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1s72 h HIS 38 N 0.00 0.00 -0.69 2.13 2.07 -1.93 -3.16 115.15 113.56 1s72 h HIS 38 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 1s72 h HIS 38 Cb 0.00 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 29.57 1s72 h HIS 38 CO 0.00 0.11 -0.84 0.39 -3.07 0.00 0.00 177.93 174.52 1s72 n GLU 39 N -3.45 3.34 0.18 5.12 1.02 -0.54 -4.79 120.64 121.51 1s72 n GLU 39 Ca -0.01 -4.06 0.02 0.00 -0.02 0.00 0.00 57.16 53.09 1s72 n GLU 39 Cb 0.27 -2.18 0.36 0.00 -0.02 0.00 0.00 31.44 29.88 1s72 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1s72 h PHE 40 N 2.18 0.05 -1.65 -0.32 -5.15 -1.51 -3.38 116.94 107.16 1s72 h PHE 40 Ca 0.30 -0.01 -0.69 0.00 -0.20 0.00 0.00 57.97 57.38 1s72 h PHE 40 Cb 1.49 -0.01 0.06 0.00 0.22 0.00 0.00 35.95 37.71 1s72 h PHE 40 CO 0.81 0.37 0.37 0.72 -2.00 0.00 0.00 178.31 178.58 1s72 n HIS 41 N -4.13 1.36 -2.57 6.09 -0.00 -1.26 -2.51 115.22 112.20 1s72 n HIS 41 Ca -0.02 0.69 -0.18 0.00 -0.00 0.00 0.00 57.72 58.22 1s72 n HIS 41 Cb 0.38 -2.29 0.01 0.00 -0.00 0.00 0.00 29.99 28.09 1s72 n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1s72 n ASN 42 N 2.31 -5.20 -4.30 0.41 5.03 -1.26 -5.01 115.26 107.24 1s72 n ASN 42 Ca 0.18 -0.11 -0.29 0.00 0.87 0.00 0.00 54.58 55.23 1s72 n ASN 42 Cb 0.19 -4.18 -0.15 0.00 -1.02 0.00 0.00 39.78 34.62 1s72 n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1s72 s HIS 43 N -2.95 2.17 0.45 3.10 3.76 -1.04 -5.10 115.29 115.67 1s72 s HIS 43 Ca 0.11 -0.41 -0.24 0.00 -0.15 0.00 0.00 55.06 54.37 1s72 s HIS 43 Cb -0.05 -1.36 -0.07 0.00 1.11 0.00 0.00 32.58 32.21 1s72 s HIS 43 CO 0.13 0.03 1.21 -1.21 -0.85 0.00 0.00 174.74 174.05 1s72 s GLU 44 N -0.85 3.78 0.89 1.40 2.02 -1.26 -4.95 118.70 119.73 1s72 s GLU 44 Ca 0.10 1.90 -0.12 0.00 0.02 0.00 0.00 54.97 56.86 1s72 s GLU 44 Cb -0.09 -2.50 0.07 0.00 0.10 0.00 0.00 34.13 31.71 1s72 s GLU 44 CO 0.00 -0.57 0.78 -0.35 0.02 0.00 0.00 175.26 175.15 1s72 n PRO 45 N -0.34 -0.18 -1.80 0.39 -0.04 -1.26 -4.99 135.00 126.78 1s72 n PRO 45 Ca 0.06 0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 63.21 1s72 n PRO 45 Cb 0.47 -2.11 0.04 0.00 -0.04 0.00 0.00 33.50 31.85 1s72 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1s72 s LEU 46 N -3.43 3.35 0.00 1.53 1.43 -1.26 -5.00 118.68 115.30 1s72 s LEU 46 Ca 0.64 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 1s72 s LEU 46 Cb -0.25 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.44 1s72 s LEU 46 CO 0.60 -1.42 0.00 0.61 0.23 0.00 0.00 176.35 176.37 1s72 n GLY 47 N -1.09 3.21 3.74 -3.19 0.00 -1.26 -5.10 105.19 101.50 1s72 n GLY 47 Ca 0.09 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 1s72 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s72 s LYS 48 N -2.23 2.76 -0.20 1.61 1.02 -1.26 -5.12 119.74 116.31 1s72 s LYS 48 Ca 0.00 -0.75 -0.10 0.00 0.02 0.00 0.00 55.97 55.14 1s72 s LYS 48 Cb 0.00 -2.66 0.07 0.00 -0.52 0.00 0.00 37.83 34.72 1s72 s LYS 48 CO 0.00 0.55 0.48 0.45 -0.92 0.00 0.00 175.35 175.92 1s72 s SER 49 N -2.39 -0.59 0.63 2.83 0.15 -1.26 -5.14 113.70 107.93 1s72 s SER 49 Ca 0.28 1.07 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1s72 s SER 49 Cb -0.12 1.07 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 1s72 s SER 49 CO 0.21 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1s72 n GLY 50 N 4.52 -0.43 3.53 9.45 0.00 -1.26 -5.00 105.19 116.01 1s72 n GLY 50 Ca -0.20 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 1s72 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s72 s PHE 51 N 0.00 0.48 -0.02 1.61 -0.12 -1.26 -5.17 117.98 113.50 1s72 s PHE 51 Ca 0.00 -0.82 0.05 0.00 -0.05 0.00 0.00 56.93 56.11 1s72 s PHE 51 Cb 0.00 0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.46 1s72 s PHE 51 CO 0.00 -0.94 -0.18 0.15 -0.05 0.00 0.00 175.22 174.19 1s72 s LYS 52 N -4.03 1.52 0.25 1.99 1.02 -1.26 -5.13 119.74 114.09 1s72 s LYS 52 Ca 0.25 -0.65 -0.12 0.00 0.02 0.00 0.00 55.97 55.47 1s72 s LYS 52 Cb 0.00 -1.45 -0.08 0.00 -0.52 0.00 0.00 37.83 35.79 1s72 s LYS 52 CO 0.10 0.38 0.61 1.03 -0.92 0.00 0.00 175.35 176.54 1s72 s ARG 53 N -0.37 3.89 0.23 1.68 0.52 -1.26 -5.00 118.95 118.64 1s72 s ARG 53 Ca 0.06 0.42 -0.31 0.00 -0.52 0.00 0.00 55.73 55.38 1s72 s ARG 53 Cb -0.08 -2.62 -0.14 0.00 0.52 0.00 0.00 34.95 32.63 1s72 s ARG 53 CO -0.00 0.29 1.30 -0.35 0.02 0.00 0.00 175.30 176.55 1s72 n PRO 54 N -0.08 1.73 -0.37 3.54 -0.04 -1.26 -4.83 135.00 133.68 1s72 n PRO 54 Ca 0.01 0.61 0.33 0.00 -0.04 0.00 0.00 63.50 64.41 1s72 n PRO 54 Cb 0.52 -2.20 0.67 0.00 -0.04 0.00 0.00 33.50 32.46 1s72 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1s72 h GLN 55 N 3.69 0.13 -0.56 0.54 4.20 -1.97 -0.01 115.11 121.13 1s72 h GLN 55 Ca -0.44 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1s72 h GLN 55 Cb 1.30 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1s72 h GLN 55 CO 0.72 0.09 0.00 0.36 -0.67 0.00 0.00 178.83 179.33 1s72 n LYS 56 N -4.38 2.49 -0.02 1.46 2.85 -1.26 -3.22 118.16 116.07 1s72 n LYS 56 Ca 0.29 -1.66 0.01 0.00 -1.05 0.00 0.00 58.31 55.90 1s72 n LYS 56 Cb 1.23 -1.57 0.02 0.00 -0.65 0.00 0.00 35.03 34.06 1s72 n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1s72 n VAL 57 N 0.61 0.75 -3.74 0.58 0.31 -0.02 -5.00 118.33 111.82 1s72 n VAL 57 Ca 0.15 -0.88 -0.37 0.00 -0.01 0.00 0.00 64.34 63.23 1s72 n VAL 57 Cb 0.53 0.63 -0.06 0.00 -0.91 0.00 0.00 33.84 34.03 1s72 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1s72 s GLN 58 N -0.79 3.66 -0.10 5.55 -0.21 -1.20 -5.00 119.66 121.57 1s72 s GLN 58 Ca 0.04 0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.46 1s72 s GLN 58 Cb 0.02 -3.22 -0.02 0.00 1.00 0.00 0.00 33.01 30.78 1s72 s GLN 58 CO 0.03 0.70 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.58 1s72 s GLU 59 N -0.89 3.11 -0.36 2.91 2.02 -1.26 -5.07 118.70 119.16 1s72 s GLU 59 Ca 0.17 -0.64 -0.05 0.00 0.02 0.00 0.00 54.97 54.48 1s72 s GLU 59 Cb -0.13 -2.60 0.06 0.00 0.10 0.00 0.00 34.13 31.56 1s72 s GLU 59 CO 0.06 0.39 0.12 -2.00 0.02 0.00 0.00 175.26 173.86 1s72 s GLU 60 N -0.11 2.43 0.06 1.61 2.12 -1.26 -4.99 118.70 118.56 1s72 s GLU 60 Ca -0.01 -1.39 -0.30 0.00 0.36 0.00 0.00 54.97 53.63 1s72 s GLU 60 Cb -0.14 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 1s72 s GLU 60 CO 0.03 -0.79 0.98 0.00 -0.54 0.00 0.00 175.26 174.94 1s72 s ALA 61 N 1.31 3.22 -0.43 6.30 0.00 -1.26 -1.22 121.76 129.66 1s72 s ALA 61 Ca 0.00 0.58 -0.21 0.00 0.00 0.00 0.00 51.96 52.33 1s72 s ALA 61 Cb -0.21 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1s72 s ALA 61 CO 0.00 -0.14 0.68 0.00 0.00 0.00 0.00 175.76 176.30 1s72 s ALA 62 N 0.47 3.34 0.39 0.00 0.00 0.14 -4.93 121.76 121.17 1s72 s ALA 62 Ca 0.50 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 51.41 1s72 s ALA 62 Cb -0.23 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1s72 s ALA 62 CO 0.29 -1.79 0.46 0.95 0.00 0.00 0.00 175.76 175.67 1s72 s THR 63 N 2.93 3.14 -0.28 0.00 -4.23 -1.26 -0.17 115.64 115.77 1s72 s THR 63 Ca 0.25 -1.16 -0.24 0.00 -1.18 0.00 0.00 61.69 59.35 1s72 s THR 63 Cb -0.14 -3.09 0.11 0.00 1.34 0.00 0.00 72.50 70.73 1s72 s THR 63 CO 0.20 -0.05 0.97 -0.51 -0.54 0.00 0.00 174.62 174.69 1s72 s ILE 64 N -2.35 0.00 0.16 2.99 2.07 -0.84 -4.92 121.20 118.30 1s72 s ILE 64 Ca 0.49 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.62 1s72 s ILE 64 Cb -0.07 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.45 1s72 s ILE 64 CO 0.30 0.00 0.51 -1.81 -1.91 0.00 0.00 174.94 172.03 1s72 s ASP 65 N 0.33 6.70 0.41 4.50 1.01 -1.26 0.16 116.67 128.53 1s72 s ASP 65 Ca 0.02 0.93 0.15 0.00 0.71 0.00 0.00 52.55 54.36 1s72 s ASP 65 Cb -0.05 -2.23 1.01 0.00 1.01 0.00 0.00 42.92 42.66 1s72 s ASP 65 CO -0.06 0.06 1.89 -0.37 0.21 0.00 0.00 175.17 176.90 1s72 h VAL 66 N 2.51 0.76 -0.80 -1.27 -1.51 -1.17 -0.76 116.25 114.02 1s72 h VAL 66 Ca -0.48 -0.16 0.17 0.00 -1.23 0.00 0.00 66.70 65.00 1s72 h VAL 66 Cb 1.18 0.26 -0.11 0.00 -2.13 0.00 0.00 31.29 30.49 1s72 h VAL 66 CO 0.67 0.09 0.30 -0.09 -1.23 0.00 0.00 177.57 177.31 1s72 h ARG 67 N 0.47 0.38 -0.21 5.19 2.43 -1.60 0.19 114.38 121.23 1s72 h ARG 67 Ca 0.42 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.53 1s72 h ARG 67 Cb 0.93 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1s72 h ARG 67 CO -0.16 0.25 -0.00 1.49 -1.51 0.00 0.00 179.97 180.05 1s72 h GLU 68 N 0.39 0.37 0.73 0.20 4.81 -1.42 0.10 114.58 119.77 1s72 h GLU 68 Ca 0.46 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1s72 h GLU 68 Cb 0.78 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1s72 h GLU 68 CO -0.47 0.57 -0.37 0.82 -0.73 0.00 0.00 179.01 178.82 1s72 h ILE 69 N 0.13 0.24 -0.59 2.32 2.04 -1.33 -3.18 117.51 117.14 1s72 h ILE 69 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1s72 h ILE 69 Cb 0.40 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 36.66 1s72 h ILE 69 CO 0.01 0.00 0.25 -0.78 0.00 0.00 0.00 178.15 177.63 1s72 h ASP 70 N -1.01 0.30 0.20 1.72 3.58 -0.65 -1.66 116.42 118.91 1s72 h ASP 70 Ca -0.10 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1s72 h ASP 70 Cb 0.78 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1s72 h ASP 70 CO 0.15 0.19 0.00 -0.62 -2.88 0.00 0.00 179.24 176.08 1s72 n GLU 71 N -4.95 0.13 -0.72 0.28 1.02 0.02 -2.79 120.64 113.63 1s72 n GLU 71 Ca 0.08 0.55 0.06 0.00 -0.02 0.00 0.00 57.16 57.82 1s72 n GLU 71 Cb 0.23 -1.86 0.12 0.00 -0.02 0.00 0.00 31.44 29.92 1s72 n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1s72 n ASN 72 N -2.12 1.45 0.31 1.62 3.02 -0.65 -4.85 115.26 114.03 1s72 n ASN 72 Ca -0.00 -3.03 -0.16 0.00 -0.03 0.00 0.00 54.58 51.36 1s72 n ASN 72 Cb 0.08 -0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 38.76 1s72 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1s72 h VAL 73 N 3.08 0.39 -0.74 2.41 -1.51 -1.31 -0.87 116.25 117.71 1s72 h VAL 73 Ca -0.06 -0.16 0.08 0.00 -1.23 0.00 0.00 66.70 65.33 1s72 h VAL 73 Cb 1.28 0.45 -0.07 0.00 -2.13 0.00 0.00 31.29 30.83 1s72 h VAL 73 CO 0.03 0.02 0.40 0.71 -1.23 0.00 0.00 177.57 177.50 1s72 h THR 74 N -0.89 0.90 0.00 7.19 1.35 -1.89 -0.66 112.91 118.92 1s72 h THR 74 Ca -0.08 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.53 1s72 h THR 74 Cb 0.64 0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1s72 h THR 74 CO 0.13 0.13 -0.07 -0.07 -0.25 0.00 0.00 175.52 175.38 1s72 h LEU 75 N 0.69 0.00 -3.74 3.87 3.38 -1.86 -2.89 115.31 114.76 1s72 h LEU 75 Ca 0.35 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.02 1s72 h LEU 75 Cb 0.32 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.95 1s72 h LEU 75 CO -0.24 0.07 0.25 0.18 0.09 0.00 0.00 178.44 178.79 1s72 n LEU 76 N -3.48 6.15 -0.27 1.67 4.77 -0.25 -4.62 117.00 120.97 1s72 n LEU 76 Ca -0.02 -3.34 0.33 0.00 -0.03 0.00 0.00 56.01 52.95 1s72 n LEU 76 Cb 0.21 -1.16 0.67 0.00 -2.33 0.00 0.00 43.42 40.81 1s72 n LEU 76 CO 0.28 1.38 1.30 0.00 -1.33 0.00 0.00 177.39 179.02 1s72 h ALA 77 N 1.98 2.99 -0.29 -1.18 0.00 -1.66 0.42 119.26 121.52 1s72 h ALA 77 Ca 0.26 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1s72 h ALA 77 Cb 0.95 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1s72 h ALA 77 CO 0.61 -1.54 0.24 0.00 0.00 0.00 0.00 179.25 178.56 1s72 n ALA 78 N -2.55 4.74 -3.61 0.00 0.00 -1.26 -4.75 120.51 113.08 1s72 n ALA 78 Ca 0.24 -1.05 -0.02 0.00 0.00 0.00 0.00 53.44 52.62 1s72 n ALA 78 Cb 1.32 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 1s72 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s72 s ASP 79 N 0.91 -1.05 0.00 0.00 1.01 0.14 -5.15 116.67 112.53 1s72 s ASP 79 Ca 0.20 1.44 0.00 0.00 0.71 0.00 0.00 52.55 54.90 1s72 s ASP 79 Cb 0.15 2.17 0.00 0.00 1.01 0.00 0.00 42.92 46.26 1s72 s ASP 79 CO -0.01 -0.23 0.00 0.47 0.21 0.00 0.00 175.17 175.62 1s72 n ASP 80 N 5.44 0.00 -4.10 0.27 9.92 -1.25 -4.75 116.55 122.09 1s72 n ASP 80 Ca -0.11 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 53.93 1s72 n ASP 80 Cb 0.49 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.82 1s72 n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1s72 s VAL 81 N 0.00 1.09 0.00 2.53 1.01 -1.26 -2.12 120.40 121.65 1s72 s VAL 81 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1s72 s VAL 81 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1s72 s VAL 81 CO 0.00 0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.41 1s72 n ALA 82 N 2.85 0.00 0.20 5.51 0.00 -1.26 -4.90 120.51 122.92 1s72 n ALA 82 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.30 1s72 n ALA 82 Cb 0.55 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.05 1s72 n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1s72 h GLU 83 N 0.00 0.00 -6.60 0.00 4.11 -2.01 -3.50 114.58 106.59 1s72 h GLU 83 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.93 1s72 h GLU 83 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1s72 h GLU 83 CO 0.00 0.00 -0.10 -0.06 0.07 0.00 0.00 179.01 178.92 1s72 s PHE 89 N -3.27 3.50 -0.13 2.06 0.40 -0.65 -5.08 117.98 114.82 1s72 s PHE 89 Ca -0.00 0.60 -0.02 0.00 -0.60 0.00 0.00 56.93 56.91 1s72 s PHE 89 Cb 0.01 -2.09 0.04 0.00 0.51 0.00 0.00 43.02 41.49 1s72 s PHE 89 CO 0.02 0.06 0.01 0.50 0.70 0.00 0.00 175.22 176.50 1s72 s ARG 90 N -4.02 0.74 -0.03 0.44 3.52 -0.90 -1.43 118.95 117.27 1s72 s ARG 90 Ca 0.44 -0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.90 1s72 s ARG 90 Cb -0.10 -1.54 -0.00 0.00 -1.56 0.00 0.00 34.95 31.75 1s72 s ARG 90 CO 0.35 -0.44 -0.13 0.54 -0.81 0.00 0.00 175.30 174.80 1s72 s VAL 91 N 1.89 1.08 -0.55 7.11 0.11 -0.76 -3.80 120.40 125.48 1s72 s VAL 91 Ca 0.02 -0.53 -0.22 0.00 -2.93 0.00 0.00 61.98 58.32 1s72 s VAL 91 Cb -0.14 -0.94 0.05 0.00 -1.53 0.00 0.00 36.38 33.82 1s72 s VAL 91 CO -0.07 0.32 0.84 -0.62 -3.33 0.00 0.00 175.10 172.24 1s72 s ASP 92 N 0.08 6.28 0.28 3.54 -1.08 -1.26 -2.65 116.67 121.85 1s72 s ASP 92 Ca -0.02 -0.63 0.01 0.00 -0.52 0.00 0.00 52.55 51.38 1s72 s ASP 92 Cb -0.09 -2.38 0.65 0.00 -1.46 0.00 0.00 42.92 39.63 1s72 s ASP 92 CO 0.01 -1.14 1.67 0.58 0.52 0.00 0.00 175.17 176.81 1s72 h VAL 93 N 5.96 0.42 -0.45 1.11 2.07 -1.51 0.11 116.25 123.95 1s72 h VAL 93 Ca -0.27 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.28 1s72 h VAL 93 Cb 1.08 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1s72 h VAL 93 CO 1.06 0.05 0.62 0.03 0.02 0.00 0.00 177.57 179.35 1s72 h ARG 94 N 0.29 0.00 -0.00 1.57 3.08 -1.92 0.98 114.38 118.38 1s72 h ARG 94 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 1s72 h ARG 94 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1s72 h ARG 94 CO -0.58 0.00 -0.61 -0.25 -1.07 0.00 0.00 179.97 177.46 1s72 n ASP 95 N -3.41 0.67 -0.09 7.04 8.00 0.38 -4.44 116.55 124.70 1s72 n ASP 95 Ca 0.09 -0.49 -0.12 0.00 0.71 0.00 0.00 54.79 54.98 1s72 n ASP 95 Cb 0.79 0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 42.28 1s72 n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1s72 n VAL 96 N -1.43 1.47 -1.71 2.53 0.31 0.33 -4.97 118.33 114.86 1s72 n VAL 96 Ca 0.06 0.08 -0.43 0.00 -0.01 0.00 0.00 64.34 64.04 1s72 n VAL 96 Cb 0.34 -2.26 -0.03 0.00 -0.91 0.00 0.00 33.84 30.98 1s72 n VAL 96 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1s72 n VAL 97 N -4.50 0.16 -2.10 2.52 0.31 -0.78 -5.01 118.33 108.93 1s72 n VAL 97 Ca -0.19 -0.04 -0.31 0.00 -0.01 0.00 0.00 64.34 63.79 1s72 n VAL 97 Cb 0.48 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1s72 n VAL 97 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1s72 s GLU 98 N 0.85 3.65 -0.38 5.55 2.02 -1.26 -3.49 118.70 125.64 1s72 s GLU 98 Ca 0.74 0.68 0.00 0.00 0.02 0.00 0.00 54.97 56.41 1s72 s GLU 98 Cb -0.55 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.53 1s72 s GLU 98 CO 0.36 -0.45 0.00 0.39 0.02 0.00 0.00 175.26 175.58 1s72 n GLU 99 N -2.45 -0.91 0.00 1.61 1.02 -1.26 -4.85 120.64 113.80 1s72 n GLU 99 Ca 0.05 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1s72 n GLU 99 Cb 0.54 -4.28 0.00 0.00 -0.02 0.00 0.00 31.44 27.69 1s72 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s72 n ALA 100 N 1.07 2.47 -0.04 0.62 0.00 -1.23 -3.33 120.51 120.07 1s72 n ALA 100 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 1s72 n ALA 100 Cb 0.28 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 1s72 n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s72 n ASP 101 N -0.22 1.07 -0.47 0.00 8.00 -1.26 -4.49 116.55 119.17 1s72 n ASP 101 Ca 0.00 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1s72 n ASP 101 Cb 0.13 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1s72 n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1s72 n ASP 102 N -3.67 0.91 -4.67 -2.24 5.75 -1.24 -4.76 116.55 106.64 1s72 n ASP 102 Ca -0.18 -1.96 -0.34 0.00 -0.01 0.00 0.00 54.79 52.31 1s72 n ASP 102 Cb 0.51 -0.46 -0.09 0.00 -1.03 0.00 0.00 41.12 40.05 1s72 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s72 s ALA 103 N -1.07 3.24 0.04 2.12 0.00 -1.21 -4.92 121.76 119.96 1s72 s ALA 103 Ca 0.00 -0.88 0.33 0.00 0.00 0.00 0.00 51.96 51.40 1s72 s ALA 103 Cb 0.00 -1.38 1.28 0.00 0.00 0.00 0.00 23.12 23.02 1s72 s ALA 103 CO 0.00 0.61 1.95 0.22 0.00 0.00 0.00 175.76 178.54 1s72 h ASP 104 N 4.82 0.00 0.00 0.00 1.82 -1.46 -3.47 116.42 118.13 1s72 h ASP 104 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1s72 h ASP 104 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1s72 h ASP 104 CO 0.55 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.18 1s72 n TYR 105 N -3.07 0.00 -4.11 0.28 0.18 -1.26 -5.02 117.16 104.17 1s72 n TYR 105 Ca 0.01 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.45 1s72 n TYR 105 Cb 0.32 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.18 1s72 n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1s72 s VAL 106 N -2.00 4.57 -0.05 -3.48 1.01 -1.26 0.25 120.40 119.44 1s72 s VAL 106 Ca 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1s72 s VAL 106 Cb 0.00 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1s72 s VAL 106 CO 0.00 0.47 -0.17 -0.75 0.00 0.00 0.00 175.10 174.66 1s72 s LYS 107 N 0.31 1.87 -0.20 2.72 2.20 0.76 -1.63 119.74 125.78 1s72 s LYS 107 Ca 0.02 -0.60 -0.13 0.00 -0.36 0.00 0.00 55.97 54.89 1s72 s LYS 107 Cb -0.13 -1.59 -0.04 0.00 -1.51 0.00 0.00 37.83 34.56 1s72 s LYS 107 CO 0.01 0.21 0.29 0.08 -0.36 0.00 0.00 175.35 175.57 1s72 s VAL 108 N 0.15 5.29 0.20 4.02 1.01 -0.03 -1.99 120.40 129.04 1s72 s VAL 108 Ca -0.07 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.46 1s72 s VAL 108 Cb -0.13 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1s72 s VAL 108 CO 0.03 0.34 0.14 -0.76 0.00 0.00 0.00 175.10 174.84 1s72 s LEU 109 N 0.89 3.75 -0.88 3.92 1.43 0.12 -2.67 118.68 125.23 1s72 s LEU 109 Ca 0.15 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1s72 s LEU 109 Cb -0.14 -2.33 0.34 0.00 0.03 0.00 0.00 46.19 44.09 1s72 s LEU 109 CO 0.05 0.03 1.69 0.61 0.23 0.00 0.00 176.35 178.96 1s72 n GLY 110 N -0.61 5.92 3.73 -3.19 0.00 -1.26 -0.96 105.19 108.81 1s72 n GLY 110 Ca -0.08 -2.60 -0.35 0.00 0.00 0.00 0.00 46.02 42.98 1s72 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 s ALA 111 N -4.10 3.65 0.00 4.61 0.00 -1.26 -4.60 121.76 120.06 1s72 s ALA 111 Ca 0.44 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1s72 s ALA 111 Cb 0.27 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1s72 s ALA 111 CO -0.20 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1s72 n GLY 112 N 3.47 -1.73 3.95 0.00 0.00 -1.26 -2.16 105.19 107.47 1s72 n GLY 112 Ca -0.14 -2.01 -0.19 0.00 0.00 0.00 0.00 46.02 43.68 1s72 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s72 s GLN 113 N 0.00 2.66 -0.21 1.61 -0.21 -1.26 -4.81 119.66 117.44 1s72 s GLN 113 Ca 0.00 -1.41 -0.04 0.00 0.02 0.00 0.00 55.36 53.93 1s72 s GLN 113 Cb 0.00 -2.58 0.07 0.00 1.00 0.00 0.00 33.01 31.50 1s72 s GLN 113 CO 0.00 -0.28 0.08 0.08 -2.12 0.00 0.00 175.29 173.05 1s72 s VAL 114 N -2.43 0.20 -0.24 1.09 1.01 -1.26 -4.18 120.40 114.60 1s72 s VAL 114 Ca 0.52 -0.49 0.14 0.00 0.00 0.00 0.00 61.98 62.15 1s72 s VAL 114 Cb -0.07 -0.88 0.73 0.00 0.00 0.00 0.00 36.38 36.16 1s72 s VAL 114 CO 0.31 -0.36 1.67 0.54 0.00 0.00 0.00 175.10 177.26 1s72 n ARG 115 N 5.16 4.17 -4.10 2.72 1.74 -1.26 -4.77 116.66 120.32 1s72 n ARG 115 Ca -0.07 -3.08 -0.10 0.00 -0.77 0.00 0.00 57.85 53.83 1s72 n ARG 115 Cb 0.47 -2.14 -0.09 0.00 -1.02 0.00 0.00 32.46 29.67 1s72 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1s72 s HIS 116 N -2.83 0.75 -0.36 -1.55 3.76 -1.26 -5.11 115.29 108.68 1s72 s HIS 116 Ca 0.51 -1.10 -0.21 0.00 -0.15 0.00 0.00 55.06 54.11 1s72 s HIS 116 Cb 0.40 -0.35 0.01 0.00 1.11 0.00 0.00 32.58 33.75 1s72 s HIS 116 CO 0.13 -0.60 0.68 -1.83 -0.85 0.00 0.00 174.74 172.27 1s72 s GLU 117 N -4.04 3.67 0.02 1.40 -1.05 -1.24 -4.75 118.70 112.72 1s72 s GLU 117 Ca 0.24 0.10 0.08 0.00 -0.15 0.00 0.00 54.97 55.24 1s72 s GLU 117 Cb 0.06 -3.82 -0.02 0.00 -0.44 0.00 0.00 34.13 29.91 1s72 s GLU 117 CO 0.02 -0.79 -0.25 -0.51 0.95 0.00 0.00 175.26 174.69 1s72 s LEU 118 N 2.83 2.11 -0.36 1.83 1.43 -1.26 -1.63 118.68 123.63 1s72 s LEU 118 Ca 0.26 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1s72 s LEU 118 Cb -0.14 -1.25 0.10 0.00 0.03 0.00 0.00 46.19 44.93 1s72 s LEU 118 CO 0.16 0.27 0.11 -0.89 0.23 0.00 0.00 176.35 176.22 1s72 s THR 119 N -0.70 2.83 -0.18 5.49 2.01 -0.51 -0.78 115.64 123.79 1s72 s THR 119 Ca 0.10 -2.07 -0.09 0.00 0.31 0.00 0.00 61.69 59.95 1s72 s THR 119 Cb -0.10 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 1s72 s THR 119 CO 0.01 -0.56 0.12 -0.76 -0.69 0.00 0.00 174.62 172.73 1s72 s LEU 120 N 1.06 4.15 -0.21 4.42 1.43 -0.49 -1.84 118.68 127.20 1s72 s LEU 120 Ca 0.07 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1s72 s LEU 120 Cb -0.21 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 43.97 1s72 s LEU 120 CO -0.05 0.22 -0.10 -0.63 0.23 0.00 0.00 176.35 176.01 1s72 s ILE 121 N 0.11 2.76 0.31 -0.59 1.01 -1.08 0.11 121.20 123.83 1s72 s ILE 121 Ca 0.08 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 1s72 s ILE 121 Cb -0.11 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.10 1s72 s ILE 121 CO -0.01 0.40 0.56 0.00 0.00 0.00 0.00 174.94 175.89 1s72 s ALA 122 N 1.37 -0.10 -0.71 9.38 0.00 -1.04 -1.12 121.76 129.53 1s72 s ALA 122 Ca 0.04 -1.01 0.26 0.00 0.00 0.00 0.00 51.96 51.25 1s72 s ALA 122 Cb -0.14 1.00 0.72 0.00 0.00 0.00 0.00 23.12 24.70 1s72 s ALA 122 CO -0.07 -0.88 1.69 -0.25 0.00 0.00 0.00 175.76 176.26 1s72 n ASP 123 N -0.91 0.80 -3.57 0.00 8.00 -0.64 -1.23 116.55 119.01 1s72 n ASP 123 Ca -0.02 0.50 -0.07 0.00 0.71 0.00 0.00 54.79 55.90 1s72 n ASP 123 Cb 0.61 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1s72 n ASP 123 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1s72 s ASP 124 N -4.49 -0.27 0.05 -2.24 2.15 -1.06 -4.14 116.67 106.67 1s72 s ASP 124 Ca 0.10 0.14 -0.04 0.00 0.43 0.00 0.00 52.55 53.18 1s72 s ASP 124 Cb 0.12 0.26 -0.02 0.00 -0.30 0.00 0.00 42.92 42.98 1s72 s ASP 124 CO 0.62 -0.37 0.06 -0.36 -0.17 0.00 0.00 175.17 174.95 1s72 s PHE 125 N -2.05 0.31 0.25 -5.34 0.40 -1.26 -0.85 117.98 109.43 1s72 s PHE 125 Ca 0.04 -0.72 0.04 0.00 -0.60 0.00 0.00 56.93 55.70 1s72 s PHE 125 Cb -0.01 -0.22 -0.03 0.00 0.51 0.00 0.00 43.02 43.27 1s72 s PHE 125 CO -0.04 -0.39 0.38 -1.54 0.70 0.00 0.00 175.22 174.33 1s72 s SER 126 N -2.48 6.32 0.15 1.36 1.04 -1.09 -4.96 113.70 114.04 1s72 s SER 126 Ca 0.00 0.12 -0.25 0.00 0.48 0.00 0.00 55.95 56.30 1s72 s SER 126 Cb 0.02 -1.88 0.02 0.00 0.10 0.00 0.00 66.02 64.28 1s72 s SER 126 CO -0.07 -0.10 1.60 -0.33 0.98 0.00 0.00 173.24 175.32 1s72 h GLU 127 N 1.14 -0.31 -0.98 4.02 5.08 -2.00 -0.87 114.58 120.66 1s72 h GLU 127 Ca -0.52 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.05 1s72 h GLU 127 Cb 1.23 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.44 1s72 h GLU 127 CO 0.61 -0.21 0.57 0.78 -1.00 0.00 0.00 179.01 179.77 1s72 h GLY 128 N -0.32 1.72 0.94 -3.84 0.00 -1.95 -0.10 103.07 99.52 1s72 h GLY 128 Ca 0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1s72 h GLY 128 CO -0.48 -0.08 0.05 0.00 0.00 0.00 0.00 176.54 176.04 1s72 h ALA 129 N 1.64 0.53 0.33 3.60 0.00 -1.45 -2.17 119.26 121.75 1s72 h ALA 129 Ca 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1s72 h ALA 129 Cb 0.88 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1s72 h ALA 129 CO -0.39 0.26 -0.16 0.00 0.00 0.00 0.00 179.25 178.96 1s72 h ARG 130 N 0.51 -0.43 -0.69 0.00 3.08 -0.39 -1.28 114.38 115.18 1s72 h ARG 130 Ca 0.12 0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.34 1s72 h ARG 130 Cb 0.39 0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.44 1s72 h ARG 130 CO 0.01 -0.14 0.14 0.93 -1.07 0.00 0.00 179.97 179.84 1s72 h GLU 131 N -0.72 0.24 -0.13 0.04 5.08 -1.09 0.38 114.58 118.38 1s72 h GLU 131 Ca -0.05 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1s72 h GLU 131 Cb 0.49 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1s72 h GLU 131 CO 0.08 0.16 0.01 0.87 -1.00 0.00 0.00 179.01 179.13 1s72 h LYS 132 N 0.25 0.22 0.00 2.33 1.57 -1.35 0.16 116.57 119.74 1s72 h LYS 132 Ca 0.38 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.06 1s72 h LYS 132 Cb 0.62 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1s72 h LYS 132 CO -0.49 0.43 -0.18 0.28 -0.57 0.00 0.00 179.45 178.93 1s72 h VAL 133 N -0.03 0.96 0.17 0.50 2.07 -0.51 -2.50 116.25 116.91 1s72 h VAL 133 Ca 0.04 -0.67 -0.32 0.00 0.82 0.00 0.00 66.70 66.57 1s72 h VAL 133 Cb 0.33 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1s72 h VAL 133 CO 0.00 0.18 -1.59 -0.33 0.02 0.00 0.00 177.57 175.85 1s72 h GLU 134 N 0.00 0.36 -0.12 1.57 5.08 -0.87 0.23 114.58 120.83 1s72 h GLU 134 Ca -0.00 -0.62 0.03 0.00 -1.00 0.00 0.00 59.36 57.77 1s72 h GLU 134 Cb 0.36 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1s72 h GLU 134 CO 0.02 1.30 0.24 0.78 -1.00 0.00 0.00 179.01 180.35 1s72 h GLY 135 N 0.40 0.00 -3.83 -3.84 0.00 -0.40 0.47 103.07 95.86 1s72 h GLY 135 Ca -0.32 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.67 1s72 h GLY 135 CO 0.15 0.00 0.44 0.00 0.00 0.00 0.00 176.54 177.13 1s72 n ALA 136 N -2.14 5.02 -3.22 3.60 0.00 -0.97 -4.88 120.51 117.93 1s72 n ALA 136 Ca 0.00 -2.55 -0.16 0.00 0.00 0.00 0.00 53.44 50.74 1s72 n ALA 136 Cb 0.33 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.50 1s72 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 137 N -0.56 -0.04 2.79 0.00 0.00 0.16 -3.62 105.19 103.92 1s72 n GLY 137 Ca 0.49 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 1s72 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 138 N -1.50 3.60 3.14 -0.02 0.00 0.07 -4.51 105.19 105.97 1s72 n GLY 138 Ca 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 46.02 43.69 1s72 n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s72 s SER 139 N -3.12 0.89 -0.15 1.61 1.04 0.04 -3.99 113.70 110.02 1s72 s SER 139 Ca 0.06 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1s72 s SER 139 Cb 0.00 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.29 1s72 s SER 139 CO 0.04 -0.52 -0.11 -0.69 0.98 0.00 0.00 173.24 172.95 1s72 s VAL 140 N -3.73 1.41 -0.21 5.02 1.01 -1.26 -1.39 120.40 121.24 1s72 s VAL 140 Ca 0.10 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1s72 s VAL 140 Cb 0.06 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1s72 s VAL 140 CO -0.07 0.35 0.08 -1.61 0.00 0.00 0.00 175.10 173.86 1s72 s GLU 141 N 1.54 3.90 -0.18 2.72 2.02 0.31 -4.95 118.70 124.06 1s72 s GLU 141 Ca 0.04 -0.37 -0.22 0.00 0.02 0.00 0.00 54.97 54.43 1s72 s GLU 141 Cb -0.14 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 1s72 s GLU 141 CO -0.09 0.10 0.69 -1.17 0.02 0.00 0.00 175.26 174.81 1s72 s LEU 142 N 0.86 4.17 1.32 1.80 2.96 -1.26 -2.49 118.68 126.03 1s72 s LEU 142 Ca 0.04 0.97 -0.20 0.00 -0.22 0.00 0.00 54.13 54.72 1s72 s LEU 142 Cb -0.13 -3.00 0.31 0.00 0.50 0.00 0.00 46.19 43.86 1s72 s LEU 142 CO 0.03 -0.29 0.76 0.41 -1.32 0.00 0.00 176.35 175.94 1s72 n THR 143 N 4.60 0.00 -0.04 3.68 -1.04 -0.37 -4.79 114.28 116.32 1s72 n THR 143 Ca 0.00 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.05 61.74 1s72 n THR 143 Cb 0.50 -0.89 0.02 0.00 -1.82 0.00 0.00 70.33 68.13 1s72 n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1s72 h ASP 144 N -3.19 0.78 -0.22 8.00 3.32 -1.97 -1.88 116.42 121.26 1s72 h ASP 144 Ca -0.45 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.15 1s72 h ASP 144 Cb 1.25 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1s72 h ASP 144 CO 0.30 1.15 -0.00 0.25 -1.72 0.00 0.00 179.24 179.23 1s72 h LEU 145 N 0.55 0.49 0.00 1.55 6.46 -1.93 0.12 115.31 122.53 1s72 h LEU 145 Ca 0.02 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1s72 h LEU 145 Cb 1.09 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1s72 h LEU 145 CO 0.11 0.56 0.00 0.61 -0.62 0.00 0.00 178.44 179.10 1s72 n GLY 146 N -0.88 -0.63 1.46 3.75 0.00 -0.72 -3.02 105.19 105.15 1s72 n GLY 146 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s72 n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1s72 n GLU 147 N -1.47 0.84 -2.38 1.61 1.02 0.40 -3.96 120.64 116.71 1s72 n GLU 147 Ca 0.01 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.89 1s72 n GLU 147 Cb 0.05 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1s72 n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1s72 n GLU 148 N 1.37 3.46 -3.68 3.49 1.02 -1.17 -4.92 120.64 120.22 1s72 n GLU 148 Ca 0.00 -4.43 -0.27 0.00 -0.02 0.00 0.00 57.16 52.43 1s72 n GLU 148 Cb 0.42 -2.26 -0.10 0.00 -0.02 0.00 0.00 31.44 29.48 1s72 n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1s72 n ARG 149 N -0.53 2.06 0.00 3.49 1.74 -1.25 -5.21 116.66 116.95 1s72 n ARG 149 Ca 0.40 -4.51 0.00 0.00 -0.77 0.00 0.00 57.85 52.97 1s72 n ARG 149 Cb 0.72 -2.24 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 1s72 n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05