#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 s SER 2 N 0.00 5.39 0.12 8.00 1.04 -1.26 -4.99 113.70 121.99 1m90 s SER 2 Ca 0.00 -0.13 -0.18 0.00 0.48 0.00 0.00 55.95 56.12 1m90 s SER 2 Cb 0.00 -0.81 -0.05 0.00 0.10 0.00 0.00 66.02 65.26 1m90 s SER 2 CO 0.00 -1.03 1.69 0.50 0.98 0.00 0.00 173.24 175.38 1m90 h LYS 3 N 0.24 0.40 -0.81 4.02 3.64 -2.07 -2.50 116.57 119.48 1m90 h LYS 3 Ca -0.41 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 58.98 1m90 h LYS 3 Cb 1.29 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 1m90 h LYS 3 CO 0.50 0.38 0.48 0.87 -2.27 0.00 0.00 179.45 179.41 1m90 h LYS 4 N 0.32 0.82 0.00 1.90 1.57 -2.03 -1.15 116.57 118.00 1m90 h LYS 4 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1m90 h LYS 4 Cb 0.11 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1m90 h LYS 4 CO -0.01 0.54 0.00 1.17 -0.57 0.00 0.00 179.45 180.58 1m90 n LYS 5 N -4.70 0.14 -0.15 3.15 3.00 -0.95 -2.41 118.16 116.24 1m90 n LYS 5 Ca 0.12 0.49 0.09 0.00 -0.00 0.00 0.00 58.31 59.02 1m90 n LYS 5 Cb 0.22 -1.84 0.17 0.00 0.00 0.00 0.00 35.03 33.58 1m90 n LYS 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1m90 n ARG 6 N -2.12 2.17 0.09 1.64 1.74 -0.44 -4.60 116.66 115.15 1m90 n ARG 6 Ca 0.01 -2.01 -0.05 0.00 -0.77 0.00 0.00 57.85 55.03 1m90 n ARG 6 Cb 0.13 -1.40 0.10 0.00 -1.02 0.00 0.00 32.46 30.27 1m90 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1m90 h GLN 7 N 3.50 0.20 -6.10 5.56 1.08 -1.47 -3.45 115.11 114.43 1m90 h GLN 7 Ca 0.00 -0.16 -0.66 0.00 -1.45 0.00 0.00 58.65 56.38 1m90 h GLN 7 Cb 0.83 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1m90 h GLN 7 CO 0.00 0.79 1.23 0.54 -0.95 0.00 0.00 178.83 180.45 1m90 n ARG 8 N -3.82 1.48 0.00 1.46 5.12 -1.26 -0.78 116.66 118.87 1m90 n ARG 8 Ca -0.02 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.38 1m90 n ARG 8 Cb 0.66 -2.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.46 1m90 n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1m90 n GLY 9 N 5.41 2.54 0.03 -0.13 0.00 -1.26 -4.95 105.19 106.83 1m90 n GLY 9 Ca 0.32 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.48 1m90 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1m90 n SER 10 N 0.00 0.17 0.00 1.61 3.41 0.04 -4.94 113.62 113.91 1m90 n SER 10 Ca 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1m90 n SER 10 Cb 0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1m90 n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1m90 n ARG 11 N -1.24 0.00 0.00 4.33 0.63 -1.26 -4.01 116.66 115.11 1m90 n ARG 11 Ca 0.13 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.19 1m90 n ARG 11 Cb 0.27 0.00 0.56 0.00 0.45 0.00 0.00 32.46 33.75 1m90 n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1m90 n THR 12 N 0.00 0.00 -4.04 5.15 -2.24 -1.26 -4.95 114.28 106.93 1m90 n THR 12 Ca 0.00 -0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 1m90 n THR 12 Cb 0.00 0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1m90 n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1m90 n HIS 13 N -0.88 -1.80 -1.06 4.78 8.25 -1.26 -1.51 115.22 121.74 1m90 n HIS 13 Ca 0.14 0.80 -0.02 0.00 -0.26 0.00 0.00 57.72 58.38 1m90 n HIS 13 Cb 0.29 -3.50 -0.01 0.00 1.12 0.00 0.00 29.99 27.90 1m90 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1m90 n GLY 14 N -1.70 0.44 0.52 -1.41 0.00 -1.26 -4.88 105.19 96.90 1m90 n GLY 14 Ca -0.10 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 45.94 1m90 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m90 n GLY 15 N -1.20 0.09 5.77 -0.02 0.00 -0.57 -5.05 105.19 104.20 1m90 n GLY 15 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1m90 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m90 n GLY 16 N 1.20 0.21 3.60 -0.02 0.00 -1.26 -4.71 105.19 104.22 1m90 n GLY 16 Ca 0.18 -1.12 -0.44 0.00 0.00 0.00 0.00 46.02 44.64 1m90 n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1m90 n SER 17 N 2.51 1.44 0.00 1.61 2.88 -1.26 -4.79 113.62 116.01 1m90 n SER 17 Ca 0.00 1.15 0.07 0.00 -1.33 0.00 0.00 58.87 58.76 1m90 n SER 17 Cb 0.00 -1.32 0.38 0.00 -0.75 0.00 0.00 64.21 62.52 1m90 n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1m90 n HIS 18 N 0.09 0.00 1.39 0.66 -0.00 -1.26 -1.11 115.22 114.99 1m90 n HIS 18 Ca 0.09 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.93 1m90 n HIS 18 Cb 0.34 -0.12 0.46 0.00 -0.00 0.00 0.00 29.99 30.67 1m90 n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1m90 n LYS 19 N -1.12 1.65 -0.01 -1.40 5.02 -1.26 -4.53 118.16 116.51 1m90 n LYS 19 Ca 0.09 -0.96 -0.00 0.00 -2.02 0.00 0.00 58.31 55.41 1m90 n LYS 19 Cb 0.07 -1.43 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1m90 n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1m90 h ASN 20 N 2.09 0.00 -0.18 4.39 2.35 -1.41 -3.43 115.58 119.39 1m90 h ASN 20 Ca 0.00 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.47 1m90 h ASN 20 Cb 0.45 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.84 1m90 h ASN 20 CO 0.00 0.08 0.83 0.54 -1.65 0.00 0.00 177.43 177.23 1m90 n ARG 21 N -2.46 0.71 0.00 0.81 1.74 -1.26 -4.75 116.66 111.46 1m90 n ARG 21 Ca -0.01 -1.85 0.00 0.00 -0.77 0.00 0.00 57.85 55.23 1m90 n ARG 21 Cb 0.02 -3.53 0.00 0.00 -1.02 0.00 0.00 32.46 27.93 1m90 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1m90 n ARG 22 N 8.03 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 125.58 1m90 n ARG 22 Ca 0.44 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1m90 n ARG 22 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 1m90 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m90 n GLY 23 N 5.00 1.02 0.00 -0.13 0.00 -1.26 -4.91 105.19 104.91 1m90 n GLY 23 Ca 0.00 -1.72 0.08 0.00 0.00 0.00 0.00 46.02 44.37 1m90 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m90 n ALA 24 N -3.00 1.84 0.19 4.61 0.00 -1.26 -2.54 120.51 120.35 1m90 n ALA 24 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.40 1m90 n ALA 24 Cb 0.00 -1.25 0.39 0.00 0.00 0.00 0.00 19.45 18.60 1m90 n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1m90 h GLY 25 N 2.54 0.01 1.37 0.00 0.00 -1.93 0.13 103.07 105.19 1m90 h GLY 25 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1m90 h GLY 25 CO 0.00 0.01 0.00 1.57 0.00 0.00 0.00 176.54 178.12 1m90 n HIS 26 N -4.16 0.00 -0.03 5.60 -0.00 -1.05 -2.49 115.22 113.09 1m90 n HIS 26 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 1m90 n HIS 26 Cb 0.36 -0.19 0.00 0.00 -0.00 0.00 0.00 29.99 30.17 1m90 n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1m90 n ARG 27 N -1.19 2.96 -1.41 1.57 1.74 -0.51 -4.96 116.66 114.86 1m90 n ARG 27 Ca 0.14 -1.53 -0.14 0.00 -0.77 0.00 0.00 57.85 55.56 1m90 n ARG 27 Cb 0.16 -1.01 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 1m90 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m90 n GLY 28 N -0.52 1.46 0.00 -0.13 0.00 -1.00 -4.77 105.19 100.22 1m90 n GLY 28 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1m90 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m90 n GLY 29 N -1.21 2.94 3.64 -0.02 0.00 0.33 -4.61 105.19 106.24 1m90 n GLY 29 Ca -0.14 -1.76 -0.47 0.00 0.00 0.00 0.00 46.02 43.65 1m90 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m90 n ARG 30 N 0.13 1.71 0.00 1.61 3.00 -1.26 -4.44 116.66 117.41 1m90 n ARG 30 Ca 0.00 0.61 0.00 0.00 -0.01 0.00 0.00 57.85 58.45 1m90 n ARG 30 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 32.46 30.20 1m90 n ARG 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1m90 n GLY 31 N 2.54 3.36 1.22 -0.13 0.00 -1.26 -1.91 105.19 109.01 1m90 n GLY 31 Ca 0.15 0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.27 1m90 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1m90 n ASP 32 N 4.90 3.23 -4.72 1.61 8.00 -1.26 -4.95 116.55 123.36 1m90 n ASP 32 Ca 0.00 -2.48 -0.43 0.00 0.71 0.00 0.00 54.79 52.59 1m90 n ASP 32 Cb 0.00 -0.60 -0.01 0.00 -0.02 0.00 0.00 41.12 40.49 1m90 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m90 n ALA 33 N 0.20 1.79 -0.86 2.24 0.00 -0.80 -1.95 120.51 121.12 1m90 n ALA 33 Ca 0.15 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1m90 n ALA 33 Cb 0.75 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1m90 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m90 n GLY 34 N 1.40 0.80 0.00 0.00 0.00 -1.26 -4.77 105.19 101.36 1m90 n GLY 34 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1m90 n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1m90 n ARG 35 N -2.32 0.00 0.00 1.61 -4.01 -0.82 0.29 116.66 111.41 1m90 n ARG 35 Ca 0.00 0.15 0.00 0.00 -1.04 0.00 0.00 57.85 56.96 1m90 n ARG 35 Cb 0.00 -1.53 0.00 0.00 -3.04 0.00 0.00 32.46 27.89 1m90 n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1m90 n ASP 36 N -1.09 0.84 0.00 2.89 5.75 -1.26 -3.97 116.55 119.71 1m90 n ASP 36 Ca 0.00 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1m90 n ASP 36 Cb 0.03 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1m90 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1m90 n LYS 37 N -0.10 0.00 0.22 0.11 4.76 0.15 -4.82 118.16 118.48 1m90 n LYS 37 Ca 0.00 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.59 1m90 n LYS 37 Cb 0.17 0.00 0.61 0.00 -1.84 0.00 0.00 35.03 33.97 1m90 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1m90 h HIS 38 N 0.00 0.00 -0.76 2.13 2.07 -1.94 -3.24 115.15 113.41 1m90 h HIS 38 Ca 0.00 0.00 -0.43 0.00 -2.85 0.00 0.00 60.37 57.09 1m90 h HIS 38 Cb 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 27.41 29.56 1m90 h HIS 38 CO 0.00 0.00 -0.95 0.39 -3.07 0.00 0.00 177.93 174.30 1m90 n GLU 39 N -2.75 2.67 0.16 5.12 1.02 -0.81 -4.81 120.64 121.23 1m90 n GLU 39 Ca 0.01 -3.88 0.01 0.00 -0.02 0.00 0.00 57.16 53.28 1m90 n GLU 39 Cb 0.28 -1.93 0.30 0.00 -0.02 0.00 0.00 31.44 30.06 1m90 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1m90 h PHE 40 N 2.47 0.07 -1.56 -0.32 -5.15 -1.58 -3.38 116.94 107.47 1m90 h PHE 40 Ca 0.13 -0.02 -0.69 0.00 -0.20 0.00 0.00 57.97 57.19 1m90 h PHE 40 Cb 1.33 -0.01 0.07 0.00 0.22 0.00 0.00 35.95 37.55 1m90 h PHE 40 CO 0.69 0.47 0.20 0.72 -2.00 0.00 0.00 178.31 178.38 1m90 n HIS 41 N -4.03 1.04 -3.60 6.09 -0.00 -1.26 -2.64 115.22 110.82 1m90 n HIS 41 Ca -0.02 0.78 -0.23 0.00 -0.00 0.00 0.00 57.72 58.26 1m90 n HIS 41 Cb 0.46 -2.22 0.07 0.00 -0.00 0.00 0.00 29.99 28.30 1m90 n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1m90 n ASN 42 N 2.03 -5.28 -4.07 0.41 5.03 -1.26 -5.01 115.26 107.11 1m90 n ASN 42 Ca 0.17 -0.59 -0.20 0.00 0.87 0.00 0.00 54.58 54.83 1m90 n ASN 42 Cb 0.19 -4.91 -0.15 0.00 -1.02 0.00 0.00 39.78 33.89 1m90 n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1m90 s HIS 43 N -3.34 1.02 0.35 3.10 3.76 -1.08 -5.11 115.29 113.99 1m90 s HIS 43 Ca 0.47 -0.20 -0.28 0.00 -0.15 0.00 0.00 55.06 54.90 1m90 s HIS 43 Cb -0.21 -0.66 -0.10 0.00 1.11 0.00 0.00 32.58 32.72 1m90 s HIS 43 CO 0.74 -0.02 1.28 -1.21 -0.85 0.00 0.00 174.74 174.69 1m90 s GLU 44 N -0.32 4.28 0.83 1.40 2.02 -1.26 -4.93 118.70 120.73 1m90 s GLU 44 Ca 0.04 2.15 -0.14 0.00 0.02 0.00 0.00 54.97 57.04 1m90 s GLU 44 Cb -0.05 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 31.20 1m90 s GLU 44 CO -0.00 -0.22 0.55 -0.35 0.02 0.00 0.00 175.26 175.26 1m90 n PRO 45 N 0.65 0.04 -1.35 0.39 -0.04 -1.26 -4.97 135.00 128.47 1m90 n PRO 45 Ca 0.01 0.06 -0.31 0.00 -0.04 0.00 0.00 63.50 63.23 1m90 n PRO 45 Cb 0.43 -1.91 0.08 0.00 -0.04 0.00 0.00 33.50 32.06 1m90 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1m90 s LEU 46 N -1.19 2.97 0.00 1.53 1.43 -1.26 -5.01 118.68 117.16 1m90 s LEU 46 Ca 0.63 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 1m90 s LEU 46 Cb -0.28 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.50 1m90 s LEU 46 CO 0.61 -1.93 0.00 0.61 0.23 0.00 0.00 176.35 175.87 1m90 n GLY 47 N -1.44 3.65 3.90 -3.19 0.00 -1.26 -5.10 105.19 101.76 1m90 n GLY 47 Ca 0.08 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 1m90 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m90 s LYS 48 N -2.84 3.36 -0.22 1.61 1.02 -1.26 -5.11 119.74 116.29 1m90 s LYS 48 Ca 0.00 -0.50 -0.10 0.00 0.02 0.00 0.00 55.97 55.39 1m90 s LYS 48 Cb 0.00 -2.98 0.08 0.00 -0.52 0.00 0.00 37.83 34.41 1m90 s LYS 48 CO 0.00 0.59 0.49 0.45 -0.92 0.00 0.00 175.35 175.96 1m90 s SER 49 N -2.60 -0.58 0.61 2.83 0.15 -1.26 -5.14 113.70 107.71 1m90 s SER 49 Ca 0.34 1.12 0.00 0.00 0.70 0.00 0.00 55.95 58.11 1m90 s SER 49 Cb -0.13 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 1m90 s SER 49 CO 0.27 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1m90 n GLY 50 N 4.84 -0.60 3.50 9.45 0.00 -1.26 -5.00 105.19 116.12 1m90 n GLY 50 Ca -0.16 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 1m90 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1m90 s PHE 51 N 0.00 0.64 0.09 1.61 -0.12 -1.26 -5.17 117.98 113.76 1m90 s PHE 51 Ca 0.00 -0.95 0.08 0.00 -0.05 0.00 0.00 56.93 56.00 1m90 s PHE 51 Cb 0.00 0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.37 1m90 s PHE 51 CO 0.00 -0.96 -0.20 0.15 -0.05 0.00 0.00 175.22 174.15 1m90 s LYS 52 N -3.84 1.14 0.03 1.99 1.02 -1.26 -5.14 119.74 113.69 1m90 s LYS 52 Ca 0.27 -1.10 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 1m90 s LYS 52 Cb 0.01 -1.36 -0.05 0.00 -0.52 0.00 0.00 37.83 35.91 1m90 s LYS 52 CO 0.12 0.32 0.26 1.03 -0.92 0.00 0.00 175.35 176.16 1m90 s ARG 53 N -1.74 3.54 0.10 1.68 0.52 -1.26 -5.02 118.95 116.77 1m90 s ARG 53 Ca 0.06 -0.17 -0.36 0.00 -0.52 0.00 0.00 55.73 54.74 1m90 s ARG 53 Cb -0.10 -3.05 -0.16 0.00 0.52 0.00 0.00 34.95 32.16 1m90 s ARG 53 CO 0.04 0.62 1.33 -0.35 0.02 0.00 0.00 175.30 176.96 1m90 n PRO 54 N 0.84 1.19 -0.38 3.54 -0.04 -1.26 -4.82 135.00 134.06 1m90 n PRO 54 Ca -0.09 0.43 0.32 0.00 -0.04 0.00 0.00 63.50 64.12 1m90 n PRO 54 Cb 0.52 -2.07 0.59 0.00 -0.04 0.00 0.00 33.50 32.51 1m90 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1m90 h GLN 55 N 4.50 0.12 -0.63 0.54 4.20 -1.97 0.19 115.11 122.06 1m90 h GLN 55 Ca -0.47 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1m90 h GLN 55 Cb 1.33 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1m90 h GLN 55 CO 0.77 0.08 0.00 0.36 -0.67 0.00 0.00 178.83 179.37 1m90 n LYS 56 N -4.93 2.29 -0.01 1.46 2.85 -1.26 -3.05 118.16 115.51 1m90 n LYS 56 Ca 0.36 -1.24 0.01 0.00 -1.05 0.00 0.00 58.31 56.39 1m90 n LYS 56 Cb 1.28 -1.60 0.01 0.00 -0.65 0.00 0.00 35.03 34.08 1m90 n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1m90 n VAL 57 N 0.32 0.56 -3.78 0.58 0.31 0.67 -5.01 118.33 111.97 1m90 n VAL 57 Ca 0.11 -0.78 -0.37 0.00 -0.01 0.00 0.00 64.34 63.29 1m90 n VAL 57 Cb 0.50 0.73 -0.06 0.00 -0.91 0.00 0.00 33.84 34.10 1m90 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1m90 s GLN 58 N -0.61 3.59 -0.11 5.55 -0.21 -1.17 -5.00 119.66 121.70 1m90 s GLN 58 Ca 0.02 -0.01 -0.01 0.00 0.02 0.00 0.00 55.36 55.38 1m90 s GLN 58 Cb 0.01 -3.21 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 1m90 s GLN 58 CO 0.02 0.73 -0.07 -1.21 -2.12 0.00 0.00 175.29 172.63 1m90 s GLU 59 N -0.95 3.16 -0.32 2.91 2.02 -1.26 -5.07 118.70 119.19 1m90 s GLU 59 Ca 0.17 -0.57 -0.04 0.00 0.02 0.00 0.00 54.97 54.55 1m90 s GLU 59 Cb -0.13 -2.69 0.05 0.00 0.10 0.00 0.00 34.13 31.46 1m90 s GLU 59 CO 0.06 0.44 0.05 -2.00 0.02 0.00 0.00 175.26 173.83 1m90 s GLU 60 N -0.21 2.47 0.04 1.61 2.12 -1.26 -4.99 118.70 118.47 1m90 s GLU 60 Ca 0.02 -1.28 -0.26 0.00 0.36 0.00 0.00 54.97 53.82 1m90 s GLU 60 Cb -0.13 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 1m90 s GLU 60 CO 0.03 -0.67 0.79 0.00 -0.54 0.00 0.00 175.26 174.87 1m90 s ALA 61 N 1.30 3.34 -0.43 6.30 0.00 -1.26 -0.76 121.76 130.25 1m90 s ALA 61 Ca -0.03 0.31 -0.22 0.00 0.00 0.00 0.00 51.96 52.03 1m90 s ALA 61 Cb -0.20 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 19.90 1m90 s ALA 61 CO 0.00 0.02 0.70 0.00 0.00 0.00 0.00 175.76 176.48 1m90 s ALA 62 N 0.12 3.35 0.38 0.00 0.00 0.13 -4.92 121.76 120.81 1m90 s ALA 62 Ca 0.40 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 51.39 1m90 s ALA 62 Cb -0.20 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 1m90 s ALA 62 CO 0.23 -1.76 0.48 0.95 0.00 0.00 0.00 175.76 175.67 1m90 s THR 63 N 2.99 3.37 -0.27 0.00 -4.23 -1.26 -0.46 115.64 115.79 1m90 s THR 63 Ca 0.26 -1.09 -0.26 0.00 -1.18 0.00 0.00 61.69 59.43 1m90 s THR 63 Cb -0.13 -3.16 0.12 0.00 1.34 0.00 0.00 72.50 70.67 1m90 s THR 63 CO 0.20 -0.07 1.00 -0.51 -0.54 0.00 0.00 174.62 174.69 1m90 s ILE 64 N -2.30 0.00 0.16 2.99 2.07 -0.97 -4.93 121.20 118.22 1m90 s ILE 64 Ca 0.49 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.64 1m90 s ILE 64 Cb -0.08 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.44 1m90 s ILE 64 CO 0.31 0.00 0.47 -1.81 -1.91 0.00 0.00 174.94 172.00 1m90 s ASP 65 N 0.10 6.62 0.28 4.50 1.01 -1.26 0.36 116.67 128.29 1m90 s ASP 65 Ca 0.02 0.82 0.02 0.00 0.71 0.00 0.00 52.55 54.12 1m90 s ASP 65 Cb -0.05 -2.19 0.58 0.00 1.01 0.00 0.00 42.92 42.28 1m90 s ASP 65 CO -0.05 0.04 1.82 -0.37 0.21 0.00 0.00 175.17 176.82 1m90 h VAL 66 N 2.33 0.86 -1.05 -1.27 -1.51 -1.18 -0.56 116.25 113.86 1m90 h VAL 66 Ca -0.47 -0.31 0.27 0.00 -1.23 0.00 0.00 66.70 64.96 1m90 h VAL 66 Cb 1.18 -0.13 -0.09 0.00 -2.13 0.00 0.00 31.29 30.11 1m90 h VAL 66 CO 0.69 0.17 0.68 -0.09 -1.23 0.00 0.00 177.57 177.78 1m90 h ARG 67 N 0.91 0.36 -0.09 5.19 2.43 -1.61 0.28 114.38 121.86 1m90 h ARG 67 Ca 0.51 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.56 1m90 h ARG 67 Cb 0.58 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1m90 h ARG 67 CO -0.30 0.24 -0.31 1.49 -1.51 0.00 0.00 179.97 179.58 1m90 h GLU 68 N 0.37 0.37 0.27 0.20 4.81 -1.39 -0.99 114.58 118.22 1m90 h GLU 68 Ca 0.60 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1m90 h GLU 68 Cb 1.56 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.99 1m90 h GLU 68 CO -0.29 0.91 -0.13 0.82 -0.73 0.00 0.00 179.01 179.59 1m90 h ILE 69 N -0.09 0.76 -0.65 2.32 2.04 -1.14 -3.17 117.51 117.58 1m90 h ILE 69 Ca -0.01 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1m90 h ILE 69 Cb 0.94 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1m90 h ILE 69 CO 0.07 0.04 0.41 -0.78 0.00 0.00 0.00 178.15 177.89 1m90 h ASP 70 N -0.44 0.69 0.39 1.72 3.58 -0.56 -2.22 116.42 119.57 1m90 h ASP 70 Ca -0.04 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1m90 h ASP 70 Cb 0.34 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1m90 h ASP 70 CO 0.06 0.48 0.00 -0.62 -2.88 0.00 0.00 179.24 176.28 1m90 n GLU 71 N -4.68 0.12 -0.94 0.28 1.02 -0.38 -3.02 120.64 113.04 1m90 n GLU 71 Ca 0.06 0.46 0.05 0.00 -0.02 0.00 0.00 57.16 57.71 1m90 n GLU 71 Cb 0.07 -1.77 0.13 0.00 -0.02 0.00 0.00 31.44 29.84 1m90 n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1m90 n ASN 72 N -2.00 1.41 0.02 1.62 3.02 -0.86 -4.85 115.26 113.63 1m90 n ASN 72 Ca 0.01 -3.09 -0.13 0.00 -0.03 0.00 0.00 54.58 51.34 1m90 n ASN 72 Cb 0.13 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 38.79 1m90 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1m90 h VAL 73 N 3.46 1.18 -0.50 2.41 -1.51 -1.40 -1.30 116.25 118.58 1m90 h VAL 73 Ca -0.09 -0.66 0.01 0.00 -1.23 0.00 0.00 66.70 64.73 1m90 h VAL 73 Cb 1.36 1.61 -0.03 0.00 -2.13 0.00 0.00 31.29 32.11 1m90 h VAL 73 CO 0.04 0.17 0.33 0.71 -1.23 0.00 0.00 177.57 177.59 1m90 h THR 74 N -0.33 1.12 0.00 7.19 1.35 -1.89 -1.96 112.91 118.39 1m90 h THR 74 Ca -0.00 -0.23 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 1m90 h THR 74 Cb 0.31 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 67.11 1m90 h THR 74 CO 0.01 0.12 -0.07 -0.07 -0.25 0.00 0.00 175.52 175.26 1m90 h LEU 75 N 0.67 0.00 -4.11 3.87 3.38 -1.89 -2.84 115.31 114.40 1m90 h LEU 75 Ca 0.19 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.84 1m90 h LEU 75 Cb -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.57 1m90 h LEU 75 CO -0.05 0.07 0.04 0.18 0.09 0.00 0.00 178.44 178.78 1m90 n LEU 76 N -3.92 5.88 -0.05 1.67 4.77 -0.50 -4.62 117.00 120.22 1m90 n LEU 76 Ca -0.02 -3.51 0.25 0.00 -0.03 0.00 0.00 56.01 52.69 1m90 n LEU 76 Cb 0.16 -1.29 0.71 0.00 -2.33 0.00 0.00 43.42 40.68 1m90 n LEU 76 CO 0.30 1.62 1.22 0.00 -1.33 0.00 0.00 177.39 179.21 1m90 h ALA 77 N 2.72 2.50 -0.29 -1.18 0.00 -1.66 -1.40 119.26 119.95 1m90 h ALA 77 Ca 0.27 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 1m90 h ALA 77 Cb 1.09 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1m90 h ALA 77 CO 0.53 -0.96 0.25 0.00 0.00 0.00 0.00 179.25 179.08 1m90 n ALA 78 N -2.48 4.66 -3.65 0.00 0.00 -1.26 -4.76 120.51 113.01 1m90 n ALA 78 Ca 0.14 -1.00 -0.05 0.00 0.00 0.00 0.00 53.44 52.52 1m90 n ALA 78 Cb 0.86 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 1m90 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1m90 s ASP 79 N 0.88 -0.77 0.00 0.00 1.01 -0.53 -5.15 116.67 112.12 1m90 s ASP 79 Ca 0.19 1.32 0.00 0.00 0.71 0.00 0.00 52.55 54.77 1m90 s ASP 79 Cb 0.15 1.78 0.00 0.00 1.01 0.00 0.00 42.92 45.86 1m90 s ASP 79 CO -0.00 -0.22 0.00 0.47 0.21 0.00 0.00 175.17 175.62 1m90 n ASP 80 N 5.25 0.00 -4.16 0.27 9.92 -1.25 -4.78 116.55 121.81 1m90 n ASP 80 Ca -0.12 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.89 1m90 n ASP 80 Cb 0.50 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.83 1m90 n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1m90 s VAL 81 N 0.00 1.38 0.00 2.53 1.01 -1.26 -2.04 120.40 122.02 1m90 s VAL 81 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1m90 s VAL 81 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1m90 s VAL 81 CO 0.00 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.49 1m90 n ALA 82 N 2.74 0.00 0.31 5.51 0.00 -1.26 -4.90 120.51 122.91 1m90 n ALA 82 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.34 1m90 n ALA 82 Cb 0.54 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.28 1m90 n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1m90 h GLU 83 N 0.00 0.00 -6.55 0.00 4.11 -2.00 -3.50 114.58 106.64 1m90 h GLU 83 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.96 1m90 h GLU 83 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1m90 h GLU 83 CO 0.00 0.00 -0.18 -0.06 0.07 0.00 0.00 179.01 178.84 1m90 s PHE 89 N -3.92 3.42 -0.13 2.06 0.40 -0.26 -5.09 117.98 114.46 1m90 s PHE 89 Ca -0.01 0.29 -0.02 0.00 -0.60 0.00 0.00 56.93 56.59 1m90 s PHE 89 Cb 0.03 -1.99 0.04 0.00 0.51 0.00 0.00 43.02 41.61 1m90 s PHE 89 CO 0.10 0.01 0.01 0.50 0.70 0.00 0.00 175.22 176.53 1m90 s ARG 90 N -4.36 0.75 -0.04 0.44 3.52 -0.87 -0.96 118.95 117.43 1m90 s ARG 90 Ca 0.42 -0.18 0.03 0.00 -0.13 0.00 0.00 55.73 55.87 1m90 s ARG 90 Cb -0.10 -1.57 0.00 0.00 -1.56 0.00 0.00 34.95 31.72 1m90 s ARG 90 CO 0.36 -0.45 -0.12 0.54 -0.81 0.00 0.00 175.30 174.81 1m90 s VAL 91 N 1.88 1.07 -0.54 7.11 0.11 -0.68 -3.75 120.40 125.60 1m90 s VAL 91 Ca 0.02 -0.51 -0.24 0.00 -2.93 0.00 0.00 61.98 58.33 1m90 s VAL 91 Cb -0.15 -0.94 0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1m90 s VAL 91 CO -0.07 0.32 0.90 -0.62 -3.33 0.00 0.00 175.10 172.31 1m90 s ASP 92 N 0.20 6.33 0.29 3.54 -1.08 -1.26 -2.66 116.67 122.03 1m90 s ASP 92 Ca -0.05 -0.42 0.04 0.00 -0.52 0.00 0.00 52.55 51.61 1m90 s ASP 92 Cb -0.11 -2.42 0.76 0.00 -1.46 0.00 0.00 42.92 39.70 1m90 s ASP 92 CO 0.01 -1.19 1.68 0.58 0.52 0.00 0.00 175.17 176.78 1m90 h VAL 93 N 6.00 0.41 -0.78 1.11 2.07 -1.45 0.56 116.25 124.17 1m90 h VAL 93 Ca -0.26 -0.11 0.22 0.00 0.82 0.00 0.00 66.70 67.37 1m90 h VAL 93 Cb 1.08 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1m90 h VAL 93 CO 1.07 0.06 0.66 0.03 0.02 0.00 0.00 177.57 179.41 1m90 h ARG 94 N 0.33 0.00 -0.01 1.57 3.08 -1.92 0.85 114.38 118.29 1m90 h ARG 94 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.63 1m90 h ARG 94 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1m90 h ARG 94 CO -0.57 0.00 -0.24 -0.25 -1.07 0.00 0.00 179.97 177.83 1m90 n ASP 95 N -3.94 1.18 -0.13 7.04 8.00 0.19 -4.31 116.55 124.58 1m90 n ASP 95 Ca 0.16 -1.02 -0.26 0.00 0.71 0.00 0.00 54.79 54.38 1m90 n ASP 95 Cb 0.94 0.15 -0.09 0.00 -0.02 0.00 0.00 41.12 42.09 1m90 n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1m90 n VAL 96 N -0.48 1.52 -1.83 2.53 0.31 0.29 -4.99 118.33 115.69 1m90 n VAL 96 Ca 0.13 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.76 1m90 n VAL 96 Cb 0.36 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.29 1m90 n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1m90 s VAL 97 N -2.58 2.27 0.58 2.52 1.01 -0.68 -5.02 120.40 118.50 1m90 s VAL 97 Ca -0.37 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 1m90 s VAL 97 Cb 0.13 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1m90 s VAL 97 CO 0.48 0.02 0.96 -1.61 0.00 0.00 0.00 175.10 174.95 1m90 s GLU 98 N 0.67 3.50 -0.30 2.72 2.02 -1.26 -3.51 118.70 122.54 1m90 s GLU 98 Ca 0.69 0.54 0.00 0.00 0.02 0.00 0.00 54.97 56.22 1m90 s GLU 98 Cb -0.47 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1m90 s GLU 98 CO 0.36 -0.50 0.00 0.39 0.02 0.00 0.00 175.26 175.53 1m90 n GLU 99 N -2.62 -1.05 0.00 1.61 1.02 -1.26 -4.84 120.64 113.50 1m90 n GLU 99 Ca 0.04 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1m90 n GLU 99 Cb 0.55 -4.31 0.00 0.00 -0.02 0.00 0.00 31.44 27.66 1m90 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1m90 n ALA 100 N 1.05 2.32 -0.05 0.62 0.00 -1.23 -3.36 120.51 119.86 1m90 n ALA 100 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 1m90 n ALA 100 Cb 0.31 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1m90 n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1m90 n ASP 101 N -0.31 1.30 -0.53 0.00 8.00 -1.26 -4.47 116.55 119.28 1m90 n ASP 101 Ca 0.00 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1m90 n ASP 101 Cb 0.07 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1m90 n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1m90 n ASP 102 N -3.84 1.02 -4.62 -2.24 5.75 -1.24 -4.75 116.55 106.63 1m90 n ASP 102 Ca -0.19 -1.85 -0.33 0.00 -0.01 0.00 0.00 54.79 52.41 1m90 n ASP 102 Cb 0.51 -0.46 -0.10 0.00 -1.03 0.00 0.00 41.12 40.04 1m90 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1m90 s ALA 103 N -0.95 3.09 0.15 2.12 0.00 -1.21 -4.93 121.76 120.03 1m90 s ALA 103 Ca 0.00 -0.97 0.28 0.00 0.00 0.00 0.00 51.96 51.27 1m90 s ALA 103 Cb 0.00 -1.21 1.15 0.00 0.00 0.00 0.00 23.12 23.05 1m90 s ALA 103 CO 0.00 0.61 1.91 0.22 0.00 0.00 0.00 175.76 178.50 1m90 h ASP 104 N 4.63 0.00 0.00 0.00 1.82 -1.24 -3.47 116.42 118.16 1m90 h ASP 104 Ca -0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 1m90 h ASP 104 Cb 1.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.18 1m90 h ASP 104 CO 0.54 0.13 0.00 0.00 -1.61 0.00 0.00 179.24 178.30 1m90 n TYR 105 N -3.30 0.00 -4.16 0.28 0.18 -1.26 -5.02 117.16 103.89 1m90 n TYR 105 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 1m90 n TYR 105 Cb 0.36 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.22 1m90 n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1m90 s VAL 106 N -2.00 4.50 -0.04 -3.48 1.01 -1.26 0.17 120.40 119.30 1m90 s VAL 106 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1m90 s VAL 106 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1m90 s VAL 106 CO 0.00 0.49 -0.17 -0.75 0.00 0.00 0.00 175.10 174.67 1m90 s LYS 107 N 0.15 1.74 -0.23 2.72 2.20 0.40 -1.78 119.74 124.93 1m90 s LYS 107 Ca 0.03 -0.62 -0.12 0.00 -0.36 0.00 0.00 55.97 54.89 1m90 s LYS 107 Cb -0.13 -1.54 -0.05 0.00 -1.51 0.00 0.00 37.83 34.61 1m90 s LYS 107 CO 0.01 0.27 0.23 0.08 -0.36 0.00 0.00 175.35 175.59 1m90 s VAL 108 N -0.05 5.31 0.14 4.02 1.01 -0.10 -2.29 120.40 128.44 1m90 s VAL 108 Ca -0.02 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1m90 s VAL 108 Cb -0.11 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1m90 s VAL 108 CO 0.02 0.31 0.19 -0.76 0.00 0.00 0.00 175.10 174.86 1m90 s LEU 109 N 1.15 4.04 -0.82 3.92 1.43 0.16 -2.81 118.68 125.74 1m90 s LEU 109 Ca 0.11 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 1m90 s LEU 109 Cb -0.14 -2.64 0.32 0.00 0.03 0.00 0.00 46.19 43.76 1m90 s LEU 109 CO 0.06 0.08 2.10 0.61 0.23 0.00 0.00 176.35 179.43 1m90 n GLY 110 N -0.26 5.43 3.80 -3.19 0.00 -1.26 -1.03 105.19 108.67 1m90 n GLY 110 Ca -0.08 -2.42 -0.37 0.00 0.00 0.00 0.00 46.02 43.15 1m90 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m90 s ALA 111 N -3.83 3.72 0.00 4.61 0.00 -1.26 -4.62 121.76 120.37 1m90 s ALA 111 Ca 0.52 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1m90 s ALA 111 Cb 0.42 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1m90 s ALA 111 CO -0.38 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1m90 n GLY 112 N 2.55 -1.72 3.89 0.00 0.00 -1.26 -2.24 105.19 106.40 1m90 n GLY 112 Ca -0.15 -1.98 -0.20 0.00 0.00 0.00 0.00 46.02 43.68 1m90 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m90 s GLN 113 N 0.00 2.69 -0.27 1.61 -0.21 -1.26 -4.81 119.66 117.41 1m90 s GLN 113 Ca 0.00 -1.36 -0.02 0.00 0.02 0.00 0.00 55.36 54.01 1m90 s GLN 113 Cb 0.00 -2.49 0.09 0.00 1.00 0.00 0.00 33.01 31.60 1m90 s GLN 113 CO 0.00 -0.05 0.07 0.08 -2.12 0.00 0.00 175.29 173.28 1m90 s VAL 114 N -2.36 0.73 -0.97 1.09 1.01 -1.26 -4.17 120.40 114.47 1m90 s VAL 114 Ca 0.45 -1.09 0.14 0.00 0.00 0.00 0.00 61.98 61.48 1m90 s VAL 114 Cb -0.05 -1.44 0.62 0.00 0.00 0.00 0.00 36.38 35.51 1m90 s VAL 114 CO 0.28 -0.51 1.50 0.54 0.00 0.00 0.00 175.10 176.90 1m90 n ARG 115 N 4.93 3.55 -4.21 2.72 1.74 -1.26 -4.76 116.66 119.37 1m90 n ARG 115 Ca -0.05 -2.44 -0.12 0.00 -0.77 0.00 0.00 57.85 54.47 1m90 n ARG 115 Cb 0.44 -1.89 -0.10 0.00 -1.02 0.00 0.00 32.46 29.88 1m90 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1m90 s HIS 116 N -1.99 1.17 -0.33 -1.55 3.76 -1.26 -5.10 115.29 109.99 1m90 s HIS 116 Ca 0.43 -1.34 -0.18 0.00 -0.15 0.00 0.00 55.06 53.81 1m90 s HIS 116 Cb 0.29 -0.59 -0.01 0.00 1.11 0.00 0.00 32.58 33.39 1m90 s HIS 116 CO 0.18 -0.60 0.53 -1.83 -0.85 0.00 0.00 174.74 172.17 1m90 s GLU 117 N -4.14 3.72 -0.02 1.40 -1.05 -1.24 -4.76 118.70 112.62 1m90 s GLU 117 Ca 0.37 -0.04 0.08 0.00 -0.15 0.00 0.00 54.97 55.23 1m90 s GLU 117 Cb 0.07 -3.78 -0.02 0.00 -0.44 0.00 0.00 34.13 29.97 1m90 s GLU 117 CO 0.11 -0.59 -0.25 -0.51 0.95 0.00 0.00 175.26 174.97 1m90 s LEU 118 N 2.41 2.05 -0.37 1.83 1.43 -1.26 -1.10 118.68 123.66 1m90 s LEU 118 Ca 0.20 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1m90 s LEU 118 Cb -0.15 -1.27 0.09 0.00 0.03 0.00 0.00 46.19 44.88 1m90 s LEU 118 CO 0.13 0.30 0.14 -0.89 0.23 0.00 0.00 176.35 176.26 1m90 s THR 119 N -0.57 3.26 -0.14 5.49 2.01 -0.13 -1.10 115.64 124.46 1m90 s THR 119 Ca 0.09 -1.80 -0.06 0.00 0.31 0.00 0.00 61.69 60.23 1m90 s THR 119 Cb -0.10 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1m90 s THR 119 CO -0.01 -0.50 0.08 -0.76 -0.69 0.00 0.00 174.62 172.74 1m90 s LEU 120 N 1.20 3.97 -0.19 4.42 1.43 -0.55 -1.69 118.68 127.26 1m90 s LEU 120 Ca 0.04 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1m90 s LEU 120 Cb -0.22 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1m90 s LEU 120 CO -0.03 0.29 -0.19 -0.63 0.23 0.00 0.00 176.35 176.03 1m90 s ILE 121 N -0.34 2.10 0.30 -0.59 1.01 -1.09 0.11 121.20 122.70 1m90 s ILE 121 Ca 0.09 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 1m90 s ILE 121 Cb -0.12 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.45 1m90 s ILE 121 CO 0.02 0.49 0.55 0.00 0.00 0.00 0.00 174.94 176.00 1m90 s ALA 122 N 1.28 -0.15 -0.54 9.38 0.00 -1.04 -0.98 121.76 129.71 1m90 s ALA 122 Ca 0.04 -0.98 0.25 0.00 0.00 0.00 0.00 51.96 51.27 1m90 s ALA 122 Cb -0.14 1.00 0.64 0.00 0.00 0.00 0.00 23.12 24.63 1m90 s ALA 122 CO -0.12 -0.88 1.71 -0.44 0.00 0.00 0.00 175.76 176.03 1m90 h ASP 123 N 2.15 0.00 -4.36 0.00 3.32 -1.68 -1.32 116.42 114.53 1m90 h ASP 123 Ca -0.27 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.89 1m90 h ASP 123 Cb 1.25 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.60 1m90 h ASP 123 CO 0.36 0.00 0.55 -0.62 -1.72 0.00 0.00 179.24 177.81 1m90 s ASP 124 N -5.33 -0.35 0.08 6.45 2.15 -1.04 -4.03 116.67 114.61 1m90 s ASP 124 Ca 0.08 0.20 -0.01 0.00 0.43 0.00 0.00 52.55 53.25 1m90 s ASP 124 Cb 0.09 0.32 -0.04 0.00 -0.30 0.00 0.00 42.92 42.99 1m90 s ASP 124 CO 0.62 -0.45 -0.01 -0.36 -0.17 0.00 0.00 175.17 174.79 1m90 s PHE 125 N -2.09 0.68 0.17 -5.34 0.40 -1.26 -0.92 117.98 109.62 1m90 s PHE 125 Ca 0.02 -1.09 0.05 0.00 -0.60 0.00 0.00 56.93 55.31 1m90 s PHE 125 Cb -0.01 -0.44 -0.04 0.00 0.51 0.00 0.00 43.02 43.04 1m90 s PHE 125 CO -0.03 -0.37 0.17 -1.54 0.70 0.00 0.00 175.22 174.14 1m90 s SER 126 N -2.98 5.68 0.17 1.36 1.04 -1.12 -4.95 113.70 112.89 1m90 s SER 126 Ca 0.12 -0.09 -0.25 0.00 0.48 0.00 0.00 55.95 56.22 1m90 s SER 126 Cb 0.07 -1.53 0.05 0.00 0.10 0.00 0.00 66.02 64.71 1m90 s SER 126 CO -0.06 0.05 1.57 -0.33 0.98 0.00 0.00 173.24 175.45 1m90 h GLU 127 N 2.24 -0.23 -0.95 4.02 5.08 -2.00 0.28 114.58 123.03 1m90 h GLU 127 Ca -0.48 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.05 1m90 h GLU 127 Cb 1.20 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.42 1m90 h GLU 127 CO 0.64 -0.15 0.60 0.78 -1.00 0.00 0.00 179.01 179.88 1m90 h GLY 128 N -0.23 1.41 0.91 -3.84 0.00 -1.95 -0.13 103.07 99.23 1m90 h GLY 128 Ca 0.18 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1m90 h GLY 128 CO -0.66 0.06 0.07 0.00 0.00 0.00 0.00 176.54 176.01 1m90 h ALA 129 N 1.60 0.44 0.66 3.60 0.00 -1.24 -1.59 119.26 122.74 1m90 h ALA 129 Ca 0.50 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1m90 h ALA 129 Cb 0.77 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1m90 h ALA 129 CO -0.26 0.12 -0.32 0.00 0.00 0.00 0.00 179.25 178.79 1m90 h ARG 130 N 0.39 -0.86 -0.70 0.00 3.08 -0.34 -1.30 114.38 114.64 1m90 h ARG 130 Ca 0.10 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.34 1m90 h ARG 130 Cb 0.32 0.20 -0.13 0.00 0.08 0.00 0.00 29.97 30.43 1m90 h ARG 130 CO 0.00 -0.54 -0.32 0.93 -1.07 0.00 0.00 179.97 178.98 1m90 h GLU 131 N -1.12 -0.10 -0.22 0.04 5.08 -1.09 0.16 114.58 117.33 1m90 h GLU 131 Ca -0.09 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1m90 h GLU 131 Cb 0.72 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1m90 h GLU 131 CO 0.15 -0.06 0.12 0.87 -1.00 0.00 0.00 179.01 179.08 1m90 h LYS 132 N -0.10 0.24 -0.05 2.33 1.57 -1.26 0.33 116.57 119.62 1m90 h LYS 132 Ca 0.28 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 1m90 h LYS 132 Cb 0.56 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1m90 h LYS 132 CO -0.76 0.16 -0.24 0.28 -0.57 0.00 0.00 179.45 178.32 1m90 h VAL 133 N 0.25 1.19 0.12 0.50 2.07 0.07 -2.70 116.25 117.75 1m90 h VAL 133 Ca 0.09 -0.91 -0.18 0.00 0.82 0.00 0.00 66.70 66.51 1m90 h VAL 133 Cb 0.01 1.42 0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1m90 h VAL 133 CO -0.05 0.27 -0.84 -0.33 0.02 0.00 0.00 177.57 176.64 1m90 h GLU 134 N 0.08 0.25 -0.08 1.57 5.08 -0.45 0.11 114.58 121.13 1m90 h GLU 134 Ca 0.01 -0.43 0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1m90 h GLU 134 Cb 0.46 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1m90 h GLU 134 CO 0.03 1.21 0.33 0.78 -1.00 0.00 0.00 179.01 180.36 1m90 h GLY 135 N -0.38 0.00 -3.62 -3.84 0.00 -0.20 0.85 103.07 95.87 1m90 h GLY 135 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.85 1m90 h GLY 135 CO 0.11 0.00 0.38 0.00 0.00 0.00 0.00 176.54 177.03 1m90 n ALA 136 N -2.00 4.90 -3.21 3.60 0.00 -1.03 -4.89 120.51 117.88 1m90 n ALA 136 Ca -0.00 -2.61 -0.16 0.00 0.00 0.00 0.00 53.44 50.67 1m90 n ALA 136 Cb 0.40 -1.27 0.06 0.00 0.00 0.00 0.00 19.45 18.64 1m90 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m90 n GLY 137 N -0.60 -0.12 3.20 0.00 0.00 0.29 -3.70 105.19 104.26 1m90 n GLY 137 Ca 0.47 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 1m90 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m90 n GLY 138 N -1.45 3.51 3.15 -0.02 0.00 0.37 -4.51 105.19 106.24 1m90 n GLY 138 Ca -0.05 -2.26 -0.10 0.00 0.00 0.00 0.00 46.02 43.61 1m90 n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m90 s SER 139 N -3.43 1.01 -0.13 1.61 1.04 -0.26 -3.98 113.70 109.56 1m90 s SER 139 Ca 0.07 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1m90 s SER 139 Cb 0.00 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.25 1m90 s SER 139 CO 0.05 -0.46 -0.12 -0.69 0.98 0.00 0.00 173.24 173.00 1m90 s VAL 140 N -3.45 1.39 -0.21 5.02 1.01 -1.26 -1.48 120.40 121.41 1m90 s VAL 140 Ca 0.09 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 1m90 s VAL 140 Cb 0.04 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1m90 s VAL 140 CO -0.05 0.43 0.04 -1.61 0.00 0.00 0.00 175.10 173.91 1m90 s GLU 141 N 1.49 3.74 -0.21 2.72 2.02 0.31 -4.95 118.70 123.81 1m90 s GLU 141 Ca 0.03 -0.45 -0.24 0.00 0.02 0.00 0.00 54.97 54.33 1m90 s GLU 141 Cb -0.13 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 1m90 s GLU 141 CO -0.09 0.04 0.79 -1.17 0.02 0.00 0.00 175.26 174.86 1m90 s LEU 142 N 0.97 4.13 1.29 1.80 2.96 -1.26 -2.50 118.68 126.06 1m90 s LEU 142 Ca 0.03 1.05 -0.18 0.00 -0.22 0.00 0.00 54.13 54.80 1m90 s LEU 142 Cb -0.14 -3.15 0.31 0.00 0.50 0.00 0.00 46.19 43.71 1m90 s LEU 142 CO 0.02 -0.43 0.79 0.41 -1.32 0.00 0.00 176.35 175.83 1m90 n THR 143 N 4.97 0.00 -0.16 3.68 -1.04 -0.50 -4.78 114.28 116.45 1m90 n THR 143 Ca 0.04 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.05 61.70 1m90 n THR 143 Cb 0.48 -0.91 0.02 0.00 -1.82 0.00 0.00 70.33 68.10 1m90 n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1m90 h ASP 144 N -3.05 1.00 -0.51 8.00 3.32 -1.97 -1.26 116.42 121.95 1m90 h ASP 144 Ca -0.50 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.16 1m90 h ASP 144 Cb 1.29 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1m90 h ASP 144 CO 0.36 1.14 0.22 0.25 -1.72 0.00 0.00 179.24 179.49 1m90 h LEU 145 N 0.86 0.73 0.00 1.55 6.46 -1.93 0.24 115.31 123.22 1m90 h LEU 145 Ca 0.12 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1m90 h LEU 145 Cb 0.73 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1m90 h LEU 145 CO 0.06 0.66 0.00 0.61 -0.62 0.00 0.00 178.44 179.14 1m90 n GLY 146 N -1.06 -0.51 1.45 3.75 0.00 -0.50 -2.92 105.19 105.40 1m90 n GLY 146 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1m90 n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1m90 n GLU 147 N -1.49 0.80 -2.67 1.61 1.02 0.85 -4.03 120.64 116.74 1m90 n GLU 147 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1m90 n GLU 147 Cb 0.01 -1.10 -0.01 0.00 -0.02 0.00 0.00 31.44 30.31 1m90 n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1m90 n GLU 148 N 1.34 3.21 -3.40 3.49 1.02 -1.15 -4.93 120.64 120.23 1m90 n GLU 148 Ca 0.00 -4.56 -0.26 0.00 -0.02 0.00 0.00 57.16 52.32 1m90 n GLU 148 Cb 0.40 -2.19 -0.08 0.00 -0.02 0.00 0.00 31.44 29.55 1m90 n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1m90 n ARG 149 N -0.36 1.88 0.00 3.49 1.74 -1.26 -5.21 116.66 116.94 1m90 n ARG 149 Ca 0.35 -4.21 0.00 0.00 -0.77 0.00 0.00 57.85 53.22 1m90 n ARG 149 Cb 0.57 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1m90 n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05