#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s SER 2 N 0.00 5.99 0.10 8.00 1.04 -1.26 -5.01 113.70 122.56 1q86 s SER 2 Ca 0.00 -0.17 -0.31 0.00 0.48 0.00 0.00 55.95 55.95 1q86 s SER 2 Cb 0.00 -1.27 -0.12 0.00 0.10 0.00 0.00 66.02 64.73 1q86 s SER 2 CO 0.00 -0.41 1.61 0.50 0.98 0.00 0.00 173.24 175.92 1q86 h LYS 3 N 0.92 -0.69 -0.79 4.02 3.64 -2.07 -1.65 116.57 119.94 1q86 h LYS 3 Ca -0.46 0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1q86 h LYS 3 Cb 1.25 0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 33.09 1q86 h LYS 3 CO 0.53 -0.46 0.04 0.87 -2.27 0.00 0.00 179.45 178.16 1q86 h LYS 4 N -0.71 0.11 -0.07 1.90 1.57 -2.02 0.27 116.57 117.61 1q86 h LYS 4 Ca -0.01 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1q86 h LYS 4 Cb 0.67 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1q86 h LYS 4 CO -0.11 0.07 0.08 -0.22 -0.57 0.00 0.00 179.45 178.70 1q86 h LYS 5 N 0.11 0.00 -0.02 3.15 1.63 -1.70 -1.82 116.57 117.92 1q86 h LYS 5 Ca 0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.25 1q86 h LYS 5 Cb 0.81 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1q86 h LYS 5 CO -0.69 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 175.85 1q86 n ARG 6 N -3.94 1.67 0.20 1.90 1.74 0.96 -4.36 116.66 114.82 1q86 n ARG 6 Ca -0.01 -0.97 0.06 0.00 -0.77 0.00 0.00 57.85 56.16 1q86 n ARG 6 Cb 0.17 -1.48 0.40 0.00 -1.02 0.00 0.00 32.46 30.54 1q86 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1q86 h GLN 7 N 2.35 0.00 -6.08 5.56 1.08 -1.26 -3.45 115.11 113.30 1q86 h GLN 7 Ca 0.00 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.57 1q86 h GLN 7 Cb 0.50 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1q86 h GLN 7 CO 0.00 0.34 1.34 0.54 -0.95 0.00 0.00 178.83 180.09 1q86 n ARG 8 N -3.63 1.72 0.00 1.46 5.12 -1.26 -1.15 116.66 118.92 1q86 n ARG 8 Ca -0.01 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.45 1q86 n ARG 8 Cb 0.45 -2.76 0.00 0.00 -1.16 0.00 0.00 32.46 28.99 1q86 n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q86 n GLY 9 N 5.59 0.69 0.03 -0.13 0.00 -1.26 -4.94 105.19 105.19 1q86 n GLY 9 Ca 0.32 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.47 1q86 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q86 n SER 10 N 0.00 0.31 0.00 1.61 3.41 -0.30 -4.94 113.62 113.71 1q86 n SER 10 Ca 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1q86 n SER 10 Cb 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1q86 n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1q86 n ARG 11 N -1.34 0.00 0.00 4.33 0.63 -1.26 -4.01 116.66 115.01 1q86 n ARG 11 Ca 0.09 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.16 1q86 n ARG 11 Cb 0.32 0.00 0.55 0.00 0.45 0.00 0.00 32.46 33.78 1q86 n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1q86 n THR 12 N 0.00 0.00 -3.99 5.15 -2.24 -1.26 -4.96 114.28 106.97 1q86 n THR 12 Ca 0.00 -0.13 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 1q86 n THR 12 Cb 0.00 0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1q86 n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1q86 n HIS 13 N -0.56 -1.55 -2.02 4.78 8.25 -1.26 -1.54 115.22 121.33 1q86 n HIS 13 Ca 0.16 0.38 -0.18 0.00 -0.26 0.00 0.00 57.72 57.82 1q86 n HIS 13 Cb 0.30 -3.13 -0.04 0.00 1.12 0.00 0.00 29.99 28.25 1q86 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q86 n GLY 14 N -2.05 0.48 0.62 -1.41 0.00 -1.26 -4.85 105.19 96.72 1q86 n GLY 14 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1q86 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 15 N -0.67 0.31 6.27 -0.02 0.00 -0.59 -5.07 105.19 105.42 1q86 n GLY 15 Ca -0.20 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1q86 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 16 N 1.37 0.14 3.59 -0.02 0.00 -1.26 -4.77 105.19 104.24 1q86 n GLY 16 Ca 0.10 -1.07 -0.51 0.00 0.00 0.00 0.00 46.02 44.54 1q86 n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q86 n SER 17 N 2.66 1.60 0.00 1.61 2.88 -1.26 -4.76 113.62 116.35 1q86 n SER 17 Ca 0.00 1.12 0.02 0.00 -1.33 0.00 0.00 58.87 58.68 1q86 n SER 17 Cb 0.00 -1.20 0.11 0.00 -0.75 0.00 0.00 64.21 62.37 1q86 n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q86 n HIS 18 N 2.28 0.00 1.00 0.66 -0.00 -1.26 -0.66 115.22 117.24 1q86 n HIS 18 Ca 0.18 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.98 1q86 n HIS 18 Cb 0.21 -0.12 0.28 0.00 -0.00 0.00 0.00 29.99 30.35 1q86 n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1q86 n LYS 19 N -1.12 1.83 -0.02 -1.40 5.02 -1.26 -4.53 118.16 116.67 1q86 n LYS 19 Ca 0.02 -1.26 -0.01 0.00 -2.02 0.00 0.00 58.31 55.04 1q86 n LYS 19 Cb 0.02 -1.36 -0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1q86 n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1q86 n ASN 20 N 0.50 0.43 -3.76 4.39 3.02 0.16 -4.72 115.26 115.27 1q86 n ASN 20 Ca 0.15 0.29 -0.39 0.00 -0.03 0.00 0.00 54.58 54.60 1q86 n ASN 20 Cb 0.34 -0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.82 1q86 n ASN 20 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1q86 n ARG 21 N -2.83 0.37 0.00 3.52 1.74 -1.26 -4.68 116.66 113.52 1q86 n ARG 21 Ca -0.02 -1.35 0.00 0.00 -0.77 0.00 0.00 57.85 55.71 1q86 n ARG 21 Cb 0.07 -2.89 0.00 0.00 -1.02 0.00 0.00 32.46 28.63 1q86 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1q86 n ARG 22 N 7.86 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 125.41 1q86 n ARG 22 Ca 0.46 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1q86 n ARG 22 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 1q86 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q86 n GLY 23 N 5.00 1.42 0.10 -0.13 0.00 -1.26 -4.92 105.19 105.40 1q86 n GLY 23 Ca 0.00 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.14 1q86 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 n ALA 24 N -3.00 0.96 -0.10 4.61 0.00 -1.26 -1.85 120.51 119.87 1q86 n ALA 24 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 53.44 53.56 1q86 n ALA 24 Cb 0.00 -1.12 0.27 0.00 0.00 0.00 0.00 19.45 18.60 1q86 n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1q86 h GLY 25 N 0.00 0.81 2.00 0.00 0.00 -1.92 0.48 103.07 104.45 1q86 h GLY 25 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1q86 h GLY 25 CO 0.00 0.37 -0.05 0.84 0.00 0.00 0.00 176.54 177.70 1q86 h HIS 26 N 0.76 0.00 -0.05 5.60 6.17 -1.66 -1.93 115.15 124.04 1q86 h HIS 26 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.27 1q86 h HIS 26 Cb 0.11 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.04 1q86 h HIS 26 CO 0.01 0.05 0.00 0.54 0.71 0.00 0.00 177.93 179.23 1q86 n ARG 27 N -3.27 2.26 -1.37 5.26 1.74 -0.36 -4.94 116.66 115.99 1q86 n ARG 27 Ca -0.01 -1.92 -0.05 0.00 -0.77 0.00 0.00 57.85 55.10 1q86 n ARG 27 Cb 0.22 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 1q86 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q86 n GLY 28 N 1.33 0.63 0.00 -0.13 0.00 -0.72 -4.84 105.19 101.46 1q86 n GLY 28 Ca 0.14 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1q86 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 29 N -2.06 3.03 3.70 -0.02 0.00 0.02 -4.66 105.19 105.20 1q86 n GLY 29 Ca -0.05 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1q86 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q86 s ARG 30 N -3.55 4.22 7.58 1.61 6.06 -1.26 -4.62 118.95 128.99 1q86 s ARG 30 Ca 0.00 2.27 0.00 0.00 -2.50 0.00 0.00 55.73 55.50 1q86 s ARG 30 Cb 0.00 -3.46 0.00 0.00 0.06 0.00 0.00 34.95 31.55 1q86 s ARG 30 CO 0.00 -0.66 0.00 0.41 -2.50 0.00 0.00 175.30 172.55 1q86 n GLY 31 N 3.85 3.53 0.43 8.12 0.00 -1.26 -2.56 105.19 117.29 1q86 n GLY 31 Ca 0.15 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1q86 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q86 n ASP 32 N 4.50 1.08 -4.58 1.61 8.00 -1.26 -4.94 116.55 120.96 1q86 n ASP 32 Ca 0.00 -2.06 -0.45 0.00 0.71 0.00 0.00 54.79 52.99 1q86 n ASP 32 Cb 0.00 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 1q86 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q86 n ALA 33 N -0.06 -0.39 -0.96 2.24 0.00 -1.06 -1.84 120.51 118.44 1q86 n ALA 33 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1q86 n ALA 33 Cb 0.23 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1q86 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 34 N 1.26 0.49 0.00 0.00 0.00 -1.26 -4.80 105.19 100.89 1q86 n GLY 34 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1q86 n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1q86 n ARG 35 N -1.96 0.00 0.00 1.61 -4.01 -0.77 0.56 116.66 112.09 1q86 n ARG 35 Ca 0.00 0.13 0.00 0.00 -1.04 0.00 0.00 57.85 56.94 1q86 n ARG 35 Cb 0.09 -1.51 0.00 0.00 -3.04 0.00 0.00 32.46 27.99 1q86 n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1q86 n ASP 36 N -1.09 0.67 0.00 2.89 5.75 -1.26 -4.02 116.55 119.48 1q86 n ASP 36 Ca 0.00 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.87 1q86 n ASP 36 Cb 0.01 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1q86 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1q86 n LYS 37 N -0.12 0.00 0.29 0.11 4.76 0.19 -4.81 118.16 118.58 1q86 n LYS 37 Ca 0.00 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.62 1q86 n LYS 37 Cb 0.05 0.00 0.76 0.00 -1.84 0.00 0.00 35.03 34.00 1q86 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1q86 h HIS 38 N 0.00 0.00 -0.73 2.13 2.07 -1.92 -3.21 115.15 113.48 1q86 h HIS 38 Ca 0.00 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 57.04 1q86 h HIS 38 Cb 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 27.41 29.56 1q86 h HIS 38 CO 0.00 0.00 -0.89 0.39 -3.07 0.00 0.00 177.93 174.36 1q86 n GLU 39 N -3.08 3.12 0.11 5.12 1.02 -0.76 -4.80 120.64 121.36 1q86 n GLU 39 Ca 0.00 -4.02 -0.01 0.00 -0.02 0.00 0.00 57.16 53.11 1q86 n GLU 39 Cb 0.27 -2.10 0.26 0.00 -0.02 0.00 0.00 31.44 29.85 1q86 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1q86 h PHE 40 N 2.32 0.24 -1.36 -0.32 -5.15 -1.59 -3.39 116.94 107.69 1q86 h PHE 40 Ca 0.24 -0.06 -0.73 0.00 -0.20 0.00 0.00 57.97 57.22 1q86 h PHE 40 Cb 1.43 -0.06 0.05 0.00 0.22 0.00 0.00 35.95 37.60 1q86 h PHE 40 CO 0.76 0.55 0.25 0.72 -2.00 0.00 0.00 178.31 178.59 1q86 n HIS 41 N -4.07 1.06 -3.45 6.09 -0.00 -1.26 -2.47 115.22 111.12 1q86 n HIS 41 Ca -0.01 0.84 -0.21 0.00 -0.00 0.00 0.00 57.72 58.34 1q86 n HIS 41 Cb 0.44 -2.21 0.07 0.00 -0.00 0.00 0.00 29.99 28.29 1q86 n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1q86 n ASN 42 N 2.02 -5.69 -4.06 0.41 5.03 -1.26 -5.02 115.26 106.69 1q86 n ASN 42 Ca 0.19 -0.47 -0.21 0.00 0.87 0.00 0.00 54.58 54.95 1q86 n ASN 42 Cb 0.14 -4.46 -0.15 0.00 -1.02 0.00 0.00 39.78 34.29 1q86 n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1q86 s HIS 43 N -3.28 1.13 0.38 3.10 3.76 -1.03 -5.11 115.29 114.24 1q86 s HIS 43 Ca 0.49 -0.26 -0.27 0.00 -0.15 0.00 0.00 55.06 54.88 1q86 s HIS 43 Cb -0.22 -0.76 -0.09 0.00 1.11 0.00 0.00 32.58 32.62 1q86 s HIS 43 CO 0.64 -0.07 1.32 -1.21 -0.85 0.00 0.00 174.74 174.57 1q86 s GLU 44 N -0.05 4.08 0.68 1.40 2.02 -1.26 -4.92 118.70 120.65 1q86 s GLU 44 Ca 0.00 2.22 -0.17 0.00 0.02 0.00 0.00 54.97 57.05 1q86 s GLU 44 Cb -0.07 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 1q86 s GLU 44 CO 0.00 -0.42 0.86 -0.35 0.02 0.00 0.00 175.26 175.36 1q86 n PRO 45 N 0.33 0.56 -1.83 0.39 -0.04 -1.26 -4.96 135.00 128.19 1q86 n PRO 45 Ca 0.02 0.24 -0.34 0.00 -0.04 0.00 0.00 63.50 63.38 1q86 n PRO 45 Cb 0.43 -2.10 0.04 0.00 -0.04 0.00 0.00 33.50 31.83 1q86 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1q86 s LEU 46 N -2.07 3.48 0.00 1.53 1.43 -1.26 -4.98 118.68 116.80 1q86 s LEU 46 Ca 0.72 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.97 1q86 s LEU 46 Cb -0.37 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.28 1q86 s LEU 46 CO 0.51 -1.66 0.00 0.61 0.23 0.00 0.00 176.35 176.04 1q86 n GLY 47 N -0.10 3.26 3.69 -3.19 0.00 -1.26 -5.09 105.19 102.49 1q86 n GLY 47 Ca 0.12 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 1q86 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q86 s LYS 48 N -2.09 2.88 -0.15 1.61 1.02 -1.26 -5.11 119.74 116.64 1q86 s LYS 48 Ca 0.00 -0.52 -0.05 0.00 0.02 0.00 0.00 55.97 55.42 1q86 s LYS 48 Cb 0.00 -2.73 0.07 0.00 -0.52 0.00 0.00 37.83 34.66 1q86 s LYS 48 CO 0.00 0.66 0.29 0.45 -0.92 0.00 0.00 175.35 175.83 1q86 s SER 49 N -1.29 0.25 0.31 2.83 0.15 -1.26 -5.13 113.70 109.56 1q86 s SER 49 Ca 0.17 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1q86 s SER 49 Cb -0.11 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1q86 s SER 49 CO 0.07 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1q86 n GLY 50 N 5.36 -1.75 3.22 9.45 0.00 -1.26 -5.02 105.19 115.19 1q86 n GLY 50 Ca -0.07 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 1q86 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1q86 s PHE 51 N -0.12 1.03 0.08 1.61 -0.12 -1.26 -5.17 117.98 114.03 1q86 s PHE 51 Ca 0.00 -1.29 0.08 0.00 -0.05 0.00 0.00 56.93 55.67 1q86 s PHE 51 Cb 0.00 -0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 41.87 1q86 s PHE 51 CO 0.00 -0.64 -0.21 0.15 -0.05 0.00 0.00 175.22 174.47 1q86 s LYS 52 N -4.12 1.24 0.01 1.99 1.02 -1.26 -5.14 119.74 113.48 1q86 s LYS 52 Ca 0.34 -1.07 -0.08 0.00 0.02 0.00 0.00 55.97 55.18 1q86 s LYS 52 Cb 0.07 -1.44 -0.05 0.00 -0.52 0.00 0.00 37.83 35.88 1q86 s LYS 52 CO 0.09 0.35 0.30 1.03 -0.92 0.00 0.00 175.35 176.20 1q86 s ARG 53 N -1.59 3.64 0.01 1.68 0.52 -1.26 -5.01 118.95 116.94 1q86 s ARG 53 Ca 0.07 0.02 -0.38 0.00 -0.52 0.00 0.00 55.73 54.92 1q86 s ARG 53 Cb -0.09 -3.09 -0.17 0.00 0.52 0.00 0.00 34.95 32.12 1q86 s ARG 53 CO 0.03 0.65 1.38 -0.35 0.02 0.00 0.00 175.30 177.03 1q86 n PRO 54 N 1.23 1.01 -0.33 3.54 -0.04 -1.26 -4.82 135.00 134.33 1q86 n PRO 54 Ca -0.12 0.37 0.26 0.00 -0.04 0.00 0.00 63.50 63.97 1q86 n PRO 54 Cb 0.53 -2.00 0.49 0.00 -0.04 0.00 0.00 33.50 32.49 1q86 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1q86 h GLN 55 N 4.80 0.03 -0.77 0.54 4.20 -1.98 0.20 115.11 122.13 1q86 h GLN 55 Ca -0.48 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1q86 h GLN 55 Cb 1.34 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.12 1q86 h GLN 55 CO 0.79 0.02 0.00 0.36 -0.67 0.00 0.00 178.83 179.33 1q86 n LYS 56 N -5.31 1.89 0.00 1.46 2.85 -1.26 -2.61 118.16 115.17 1q86 n LYS 56 Ca 0.33 -0.77 0.00 0.00 -1.05 0.00 0.00 58.31 56.82 1q86 n LYS 56 Cb 1.11 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.89 1q86 n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1q86 n VAL 57 N 0.14 0.70 -3.90 0.58 0.31 0.70 -5.01 118.33 111.85 1q86 n VAL 57 Ca 0.07 -0.85 -0.36 0.00 -0.01 0.00 0.00 64.34 63.20 1q86 n VAL 57 Cb 0.43 0.65 -0.08 0.00 -0.91 0.00 0.00 33.84 33.94 1q86 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1q86 s GLN 58 N -0.70 3.78 -0.15 5.55 -0.21 -1.07 -4.99 119.66 121.87 1q86 s GLN 58 Ca 0.00 -0.23 -0.05 0.00 0.02 0.00 0.00 55.36 55.10 1q86 s GLN 58 Cb 0.00 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.73 1q86 s GLN 58 CO 0.00 0.50 0.02 -1.21 -2.12 0.00 0.00 175.29 172.47 1q86 s GLU 59 N -0.23 3.65 -0.33 2.91 2.02 -1.26 -5.06 118.70 120.39 1q86 s GLU 59 Ca 0.10 -0.41 -0.05 0.00 0.02 0.00 0.00 54.97 54.62 1q86 s GLU 59 Cb -0.12 -3.02 0.04 0.00 0.10 0.00 0.00 34.13 31.14 1q86 s GLU 59 CO 0.01 0.37 0.08 -2.00 0.02 0.00 0.00 175.26 173.74 1q86 s GLU 60 N 0.06 2.58 0.05 1.61 2.12 -1.26 -4.98 118.70 118.88 1q86 s GLU 60 Ca 0.03 -1.19 -0.26 0.00 0.36 0.00 0.00 54.97 53.90 1q86 s GLU 60 Cb -0.13 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 1q86 s GLU 60 CO 0.02 -0.65 0.81 0.00 -0.54 0.00 0.00 175.26 174.89 1q86 s ALA 61 N 1.37 3.33 -0.38 6.30 0.00 -1.26 -0.45 121.76 130.67 1q86 s ALA 61 Ca -0.02 0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 1q86 s ALA 61 Cb -0.20 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1q86 s ALA 61 CO 0.02 0.03 0.56 0.00 0.00 0.00 0.00 175.76 176.36 1q86 s ALA 62 N 0.05 3.44 0.34 0.00 0.00 0.79 -4.94 121.76 121.44 1q86 s ALA 62 Ca 0.41 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1q86 s ALA 62 Cb -0.21 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1q86 s ALA 62 CO 0.24 -1.41 0.32 0.95 0.00 0.00 0.00 175.76 175.86 1q86 s THR 63 N 2.52 3.52 -0.27 0.00 -4.23 -1.26 -0.66 115.64 115.26 1q86 s THR 63 Ca 0.20 -1.33 -0.25 0.00 -1.18 0.00 0.00 61.69 59.13 1q86 s THR 63 Cb -0.15 -3.19 0.09 0.00 1.34 0.00 0.00 72.50 70.58 1q86 s THR 63 CO 0.15 -0.16 0.83 -0.51 -0.54 0.00 0.00 174.62 174.38 1q86 s ILE 64 N -2.30 0.00 0.12 2.99 2.07 -1.00 -4.95 121.20 118.13 1q86 s ILE 64 Ca 0.42 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.53 1q86 s ILE 64 Cb -0.06 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.46 1q86 s ILE 64 CO 0.27 0.00 0.50 -1.81 -1.91 0.00 0.00 174.94 171.99 1q86 s ASP 65 N 0.37 6.77 0.31 4.50 1.01 -1.26 0.58 116.67 128.94 1q86 s ASP 65 Ca 0.01 0.99 0.06 0.00 0.71 0.00 0.00 52.55 54.32 1q86 s ASP 65 Cb -0.05 -2.26 0.73 0.00 1.01 0.00 0.00 42.92 42.35 1q86 s ASP 65 CO -0.02 0.13 1.79 -0.37 0.21 0.00 0.00 175.17 176.91 1q86 h VAL 66 N 2.86 0.73 -1.23 -1.27 -1.51 -1.02 -0.66 116.25 114.16 1q86 h VAL 66 Ca -0.49 -0.27 0.36 0.00 -1.23 0.00 0.00 66.70 65.07 1q86 h VAL 66 Cb 1.19 -0.12 -0.09 0.00 -2.13 0.00 0.00 31.29 30.15 1q86 h VAL 66 CO 0.66 0.14 0.83 -0.09 -1.23 0.00 0.00 177.57 177.88 1q86 h ARG 67 N 0.78 0.16 0.05 5.19 2.43 -1.55 -0.55 114.38 120.90 1q86 h ARG 67 Ca 0.57 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1q86 h ARG 67 Cb 0.86 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1q86 h ARG 67 CO -0.36 0.11 -0.02 1.49 -1.51 0.00 0.00 179.97 179.68 1q86 h GLU 68 N 0.17 -0.07 0.10 0.20 4.81 -1.40 -1.62 114.58 116.77 1q86 h GLU 68 Ca 0.68 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.91 1q86 h GLU 68 Cb 2.19 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.57 1q86 h GLU 68 CO -0.23 0.54 -0.17 0.82 -0.73 0.00 0.00 179.01 179.25 1q86 h ILE 69 N -0.79 0.00 -0.87 2.32 2.04 -1.34 -2.73 117.51 116.14 1q86 h ILE 69 Ca -0.01 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.07 1q86 h ILE 69 Cb 0.64 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.57 1q86 h ILE 69 CO 0.01 0.00 0.01 -0.78 0.00 0.00 0.00 178.15 177.39 1q86 h ASP 70 N -0.28 -0.43 0.38 1.72 3.58 -1.26 0.33 116.42 120.46 1q86 h ASP 70 Ca -0.01 0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 1q86 h ASP 70 Cb 0.26 0.42 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 1q86 h ASP 70 CO -0.06 -0.26 -0.02 -0.33 -2.88 0.00 0.00 179.24 175.70 1q86 h GLU 71 N 0.07 0.00 0.00 0.28 5.08 -1.12 -3.05 114.58 115.84 1q86 h GLU 71 Ca 0.50 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 1q86 h GLU 71 Cb 0.94 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1q86 h GLU 71 CO -0.79 0.02 -0.47 0.09 -1.00 0.00 0.00 179.01 176.86 1q86 n ASN 72 N -3.19 1.72 0.07 1.42 3.02 0.11 -4.82 115.26 113.60 1q86 n ASN 72 Ca -0.02 -3.60 -0.13 0.00 -0.03 0.00 0.00 54.58 50.80 1q86 n ASN 72 Cb 0.17 -0.49 -0.08 0.00 -0.61 0.00 0.00 39.78 38.77 1q86 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1q86 h VAL 73 N 1.42 1.00 -0.49 2.41 -1.51 -1.30 -1.65 116.25 116.14 1q86 h VAL 73 Ca -0.02 -0.43 0.02 0.00 -1.23 0.00 0.00 66.70 65.04 1q86 h VAL 73 Cb 1.08 1.28 -0.03 0.00 -2.13 0.00 0.00 31.29 31.48 1q86 h VAL 73 CO 0.01 0.11 0.28 0.71 -1.23 0.00 0.00 177.57 177.45 1q86 h THR 74 N -0.35 1.04 0.00 7.19 1.35 -1.87 -1.51 112.91 118.75 1q86 h THR 74 Ca -0.02 -0.19 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 1q86 h THR 74 Cb 0.29 0.42 -0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1q86 h THR 74 CO 0.02 0.10 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.30 1q86 h LEU 75 N 0.56 0.00 -4.47 3.87 3.38 -1.88 -2.68 115.31 114.10 1q86 h LEU 75 Ca 0.20 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.67 1q86 h LEU 75 Cb 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.61 1q86 h LEU 75 CO -0.10 0.03 0.40 0.18 0.09 0.00 0.00 178.44 179.04 1q86 n LEU 76 N -3.35 6.49 -0.30 1.67 4.77 -0.57 -4.65 117.00 121.06 1q86 n LEU 76 Ca -0.02 -4.03 0.19 0.00 -0.03 0.00 0.00 56.01 52.12 1q86 n LEU 76 Cb 0.14 -1.22 0.46 0.00 -2.33 0.00 0.00 43.42 40.47 1q86 n LEU 76 CO 0.25 1.70 1.22 0.00 -1.33 0.00 0.00 177.39 179.22 1q86 h ALA 77 N 2.90 2.08 0.00 -1.18 0.00 -1.62 -1.33 119.26 120.10 1q86 h ALA 77 Ca 0.39 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1q86 h ALA 77 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1q86 h ALA 77 CO 0.88 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1q86 n ALA 78 N -2.45 2.60 -3.68 0.00 0.00 -1.26 -4.65 120.51 111.06 1q86 n ALA 78 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.56 1q86 n ALA 78 Cb 0.72 -1.18 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 1q86 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q86 s ASP 79 N 1.48 -0.44 0.00 0.00 1.01 -0.50 -5.14 116.67 113.08 1q86 s ASP 79 Ca 0.00 0.92 0.00 0.00 0.71 0.00 0.00 52.55 54.18 1q86 s ASP 79 Cb 0.00 0.93 0.00 0.00 1.01 0.00 0.00 42.92 44.86 1q86 s ASP 79 CO 0.00 -0.21 0.00 0.47 0.21 0.00 0.00 175.17 175.64 1q86 n ASP 80 N 4.58 0.00 -4.27 0.27 9.92 -1.24 -4.83 116.55 120.98 1q86 n ASP 80 Ca -0.19 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.78 1q86 n ASP 80 Cb 0.54 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.86 1q86 n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1q86 s VAL 81 N 0.00 1.87 0.00 2.53 1.01 -1.26 -2.31 120.40 122.23 1q86 s VAL 81 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1q86 s VAL 81 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1q86 s VAL 81 CO 0.00 0.52 0.00 0.00 0.00 0.00 0.00 175.10 175.62 1q86 n ALA 82 N 2.49 0.00 0.17 5.51 0.00 -1.26 -4.89 120.51 122.53 1q86 n ALA 82 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.32 1q86 n ALA 82 Cb 0.52 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.15 1q86 n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1q86 h GLU 83 N 0.00 0.00 -6.30 0.00 4.11 -2.00 -3.50 114.58 106.89 1q86 h GLU 83 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 58.98 1q86 h GLU 83 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1q86 h GLU 83 CO 0.00 0.00 -0.35 -0.06 0.07 0.00 0.00 179.01 178.67 1q86 s PHE 89 N -3.18 3.28 -0.15 2.06 0.40 0.15 -5.11 117.98 115.43 1q86 s PHE 89 Ca -0.01 -0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1q86 s PHE 89 Cb 0.02 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.76 1q86 s PHE 89 CO 0.06 0.16 -0.05 0.50 0.70 0.00 0.00 175.22 176.59 1q86 s ARG 90 N -4.12 1.39 -0.03 0.44 3.52 -0.98 0.26 118.95 119.42 1q86 s ARG 90 Ca 0.40 -0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.60 1q86 s ARG 90 Cb -0.09 -1.86 0.02 0.00 -1.56 0.00 0.00 34.95 31.45 1q86 s ARG 90 CO 0.31 -0.39 -0.05 0.54 -0.81 0.00 0.00 175.30 174.89 1q86 s VAL 91 N 1.68 0.54 -0.55 7.11 0.11 -0.38 -3.73 120.40 125.17 1q86 s VAL 91 Ca 0.02 -0.17 -0.26 0.00 -2.93 0.00 0.00 61.98 58.65 1q86 s VAL 91 Cb -0.15 -0.54 0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1q86 s VAL 91 CO -0.08 0.21 1.02 -0.62 -3.33 0.00 0.00 175.10 172.30 1q86 s ASP 92 N 0.64 6.40 0.27 3.54 -1.08 -1.26 -2.50 116.67 122.67 1q86 s ASP 92 Ca -0.09 -0.14 -0.00 0.00 -0.52 0.00 0.00 52.55 51.80 1q86 s ASP 92 Cb -0.12 -2.48 0.60 0.00 -1.46 0.00 0.00 42.92 39.47 1q86 s ASP 92 CO 0.00 -1.29 1.69 0.58 0.52 0.00 0.00 175.17 176.67 1q86 h VAL 93 N 6.07 0.48 -1.43 1.11 2.07 -1.62 -1.31 116.25 121.61 1q86 h VAL 93 Ca -0.25 -0.11 0.42 0.00 0.82 0.00 0.00 66.70 67.57 1q86 h VAL 93 Cb 1.07 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1q86 h VAL 93 CO 1.11 0.06 1.01 0.03 0.02 0.00 0.00 177.57 179.80 1q86 h ARG 94 N 0.33 0.05 0.00 1.57 3.08 -1.92 1.09 114.38 118.59 1q86 h ARG 94 Ca 0.49 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1q86 h ARG 94 Cb 0.89 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1q86 h ARG 94 CO -0.53 0.03 -0.51 -0.25 -1.07 0.00 0.00 179.97 177.65 1q86 n ASP 95 N -4.23 0.62 -0.11 7.04 8.00 -0.50 -4.23 116.55 123.15 1q86 n ASP 95 Ca 0.33 0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.70 1q86 n ASP 95 Cb 1.47 0.06 -0.11 0.00 -0.02 0.00 0.00 41.12 42.52 1q86 n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1q86 n VAL 96 N -1.96 1.55 -1.89 2.53 0.31 0.37 -4.94 118.33 114.30 1q86 n VAL 96 Ca 0.04 -0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 63.82 1q86 n VAL 96 Cb 0.41 -1.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.32 1q86 n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1q86 s VAL 97 N -2.40 2.48 0.56 2.52 1.01 -0.60 -5.01 120.40 118.94 1q86 s VAL 97 Ca -0.31 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 1q86 s VAL 97 Cb 0.08 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1q86 s VAL 97 CO 0.58 0.03 0.93 -1.61 0.00 0.00 0.00 175.10 175.03 1q86 s GLU 98 N 1.01 3.60 -1.03 2.72 2.02 -1.26 -3.51 118.70 122.25 1q86 s GLU 98 Ca 0.70 0.55 0.00 0.00 0.02 0.00 0.00 54.97 56.24 1q86 s GLU 98 Cb -0.45 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 31.58 1q86 s GLU 98 CO 0.33 -0.40 0.00 0.39 0.02 0.00 0.00 175.26 175.59 1q86 n GLU 99 N -2.47 -0.97 -0.00 1.61 1.02 -1.26 -4.85 120.64 113.73 1q86 n GLU 99 Ca 0.04 0.79 0.03 0.00 -0.02 0.00 0.00 57.16 58.00 1q86 n GLU 99 Cb 0.54 -4.81 0.15 0.00 -0.02 0.00 0.00 31.44 27.31 1q86 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q86 n ALA 100 N 1.18 2.53 -0.06 0.62 0.00 -1.23 -3.47 120.51 120.08 1q86 n ALA 100 Ca -0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 1q86 n ALA 100 Cb 0.39 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 1q86 n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1q86 n ASP 101 N -0.57 1.71 -0.10 0.00 8.00 -1.26 -4.42 116.55 119.91 1q86 n ASP 101 Ca 0.04 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1q86 n ASP 101 Cb 0.02 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1q86 n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1q86 n ASP 102 N -4.21 0.10 -4.82 -2.24 5.75 -1.25 -4.68 116.55 105.20 1q86 n ASP 102 Ca -0.11 -1.01 -0.32 0.00 -0.01 0.00 0.00 54.79 53.35 1q86 n ASP 102 Cb 0.41 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.39 1q86 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1q86 s ALA 103 N -1.79 3.70 -0.50 2.12 0.00 -1.23 -4.93 121.76 119.13 1q86 s ALA 103 Ca 0.00 -0.91 0.25 0.00 0.00 0.00 0.00 51.96 51.30 1q86 s ALA 103 Cb 0.00 -1.60 0.93 0.00 0.00 0.00 0.00 23.12 22.45 1q86 s ALA 103 CO 0.00 0.75 1.76 0.22 0.00 0.00 0.00 175.76 178.49 1q86 h ASP 104 N 3.53 0.00 0.00 0.00 1.82 -1.04 -3.47 116.42 117.27 1q86 h ASP 104 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 1q86 h ASP 104 Cb 1.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.18 1q86 h ASP 104 CO 0.67 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.30 1q86 n TYR 105 N -2.39 0.00 -3.84 0.28 0.18 -1.25 -5.00 117.16 105.13 1q86 n TYR 105 Ca 0.03 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.46 1q86 n TYR 105 Cb 0.32 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.19 1q86 n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1q86 s VAL 106 N -2.00 5.01 -0.02 -3.48 1.01 -1.26 -0.15 120.40 119.52 1q86 s VAL 106 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1q86 s VAL 106 Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1q86 s VAL 106 CO 0.00 0.42 -0.21 -0.75 0.00 0.00 0.00 175.10 174.55 1q86 s LYS 107 N 0.66 1.75 -0.16 2.72 2.20 0.17 -1.65 119.74 125.43 1q86 s LYS 107 Ca 0.05 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 54.83 1q86 s LYS 107 Cb -0.13 -1.68 -0.04 0.00 -1.51 0.00 0.00 37.83 34.47 1q86 s LYS 107 CO 0.01 0.45 0.09 0.08 -0.36 0.00 0.00 175.35 175.63 1q86 s VAL 108 N -0.48 5.10 0.08 4.02 1.01 0.56 -2.36 120.40 128.32 1q86 s VAL 108 Ca 0.08 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.18 1q86 s VAL 108 Cb -0.08 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1q86 s VAL 108 CO -0.01 0.52 -0.05 -0.76 0.00 0.00 0.00 175.10 174.80 1q86 s LEU 109 N -0.18 3.27 -1.13 3.92 1.43 0.19 -2.81 118.68 123.38 1q86 s LEU 109 Ca 0.09 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 1q86 s LEU 109 Cb -0.12 -2.01 0.18 0.00 0.03 0.00 0.00 46.19 44.28 1q86 s LEU 109 CO 0.01 0.19 2.25 0.61 0.23 0.00 0.00 176.35 179.65 1q86 n GLY 110 N 0.77 5.41 3.56 -3.19 0.00 -1.26 -0.69 105.19 109.79 1q86 n GLY 110 Ca -0.12 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.33 1q86 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 s ALA 111 N -2.26 3.34 0.00 4.61 0.00 -1.26 -4.65 121.76 121.54 1q86 s ALA 111 Ca 0.50 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1q86 s ALA 111 Cb 0.22 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1q86 s ALA 111 CO -0.13 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1q86 n GLY 112 N 4.26 -1.50 3.95 0.00 0.00 -1.26 -1.91 105.19 108.73 1q86 n GLY 112 Ca -0.16 -2.08 -0.20 0.00 0.00 0.00 0.00 46.02 43.58 1q86 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q86 s GLN 113 N 0.00 2.52 -0.22 1.61 -0.21 -1.26 -4.82 119.66 117.28 1q86 s GLN 113 Ca 0.00 -1.56 -0.04 0.00 0.02 0.00 0.00 55.36 53.79 1q86 s GLN 113 Cb 0.00 -2.49 0.07 0.00 1.00 0.00 0.00 33.01 31.59 1q86 s GLN 113 CO 0.00 -0.42 0.08 0.08 -2.12 0.00 0.00 175.29 172.91 1q86 s VAL 114 N -2.53 0.25 -0.32 1.09 1.01 -1.26 -4.19 120.40 114.45 1q86 s VAL 114 Ca 0.51 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 62.01 1q86 s VAL 114 Cb -0.05 -0.95 0.71 0.00 0.00 0.00 0.00 36.38 36.08 1q86 s VAL 114 CO 0.30 -0.40 1.76 0.54 0.00 0.00 0.00 175.10 177.31 1q86 n ARG 115 N 5.14 3.41 -3.83 2.72 1.74 -1.26 -4.79 116.66 119.78 1q86 n ARG 115 Ca -0.07 -3.08 -0.09 0.00 -0.77 0.00 0.00 57.85 53.84 1q86 n ARG 115 Cb 0.46 -2.15 -0.07 0.00 -1.02 0.00 0.00 32.46 29.68 1q86 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1q86 s HIS 116 N -3.03 0.11 -0.33 -1.55 3.76 -1.26 -5.11 115.29 107.89 1q86 s HIS 116 Ca 0.53 -0.53 -0.24 0.00 -0.15 0.00 0.00 55.06 54.68 1q86 s HIS 116 Cb 0.43 -0.03 0.00 0.00 1.11 0.00 0.00 32.58 34.10 1q86 s HIS 116 CO 0.12 -0.56 0.81 -1.83 -0.85 0.00 0.00 174.74 172.43 1q86 s GLU 117 N -3.82 3.91 -0.02 1.40 -1.05 -1.24 -4.81 118.70 113.08 1q86 s GLU 117 Ca 0.04 0.54 0.08 0.00 -0.15 0.00 0.00 54.97 55.48 1q86 s GLU 117 Cb 0.04 -3.75 -0.02 0.00 -0.44 0.00 0.00 34.13 29.96 1q86 s GLU 117 CO -0.11 -0.75 -0.26 -0.51 0.95 0.00 0.00 175.26 174.58 1q86 s LEU 118 N 3.06 2.07 -0.44 1.83 1.43 -1.26 0.31 118.68 125.68 1q86 s LEU 118 Ca 0.33 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1q86 s LEU 118 Cb -0.14 -1.35 0.12 0.00 0.03 0.00 0.00 46.19 44.85 1q86 s LEU 118 CO 0.14 0.32 0.24 -0.89 0.23 0.00 0.00 176.35 176.39 1q86 s THR 119 N -0.60 3.35 -0.14 5.49 2.01 0.14 -1.05 115.64 124.85 1q86 s THR 119 Ca 0.10 -2.18 -0.07 0.00 0.31 0.00 0.00 61.69 59.85 1q86 s THR 119 Cb -0.10 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1q86 s THR 119 CO -0.01 -0.72 0.10 -0.76 -0.69 0.00 0.00 174.62 172.54 1q86 s LEU 120 N 0.98 4.13 -0.23 4.42 1.43 -0.72 -1.25 118.68 127.44 1q86 s LEU 120 Ca 0.09 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1q86 s LEU 120 Cb -0.23 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 44.03 1q86 s LEU 120 CO -0.04 0.33 -0.14 -0.63 0.23 0.00 0.00 176.35 176.10 1q86 s ILE 121 N -0.58 2.17 0.24 -0.59 1.01 -1.04 0.60 121.20 123.00 1q86 s ILE 121 Ca 0.12 -1.36 -0.05 0.00 0.00 0.00 0.00 60.65 59.36 1q86 s ILE 121 Cb -0.12 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1q86 s ILE 121 CO 0.02 0.18 0.29 0.00 0.00 0.00 0.00 174.94 175.44 1q86 s ALA 122 N 1.18 0.67 0.01 9.38 0.00 -0.99 -1.41 121.76 130.60 1q86 s ALA 122 Ca -0.04 -1.41 0.17 0.00 0.00 0.00 0.00 51.96 50.68 1q86 s ALA 122 Cb -0.17 1.26 0.36 0.00 0.00 0.00 0.00 23.12 24.56 1q86 s ALA 122 CO -0.08 -0.71 1.58 -0.44 0.00 0.00 0.00 175.76 176.11 1q86 h ASP 123 N 2.42 0.00 -4.77 0.00 3.32 -1.64 -1.28 116.42 114.47 1q86 h ASP 123 Ca -0.31 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1q86 h ASP 123 Cb 1.25 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.61 1q86 h ASP 123 CO 0.45 0.46 0.30 -0.62 -1.72 0.00 0.00 179.24 178.11 1q86 s ASP 124 N -6.45 -0.56 0.10 6.45 2.15 -0.97 -3.99 116.67 113.40 1q86 s ASP 124 Ca 0.02 0.51 0.01 0.00 0.43 0.00 0.00 52.55 53.52 1q86 s ASP 124 Cb 0.09 0.48 -0.04 0.00 -0.30 0.00 0.00 42.92 43.15 1q86 s ASP 124 CO 0.72 -0.59 -0.03 -0.36 -0.17 0.00 0.00 175.17 174.74 1q86 s PHE 125 N -1.61 0.83 0.22 -5.34 0.40 -1.26 -0.33 117.98 110.90 1q86 s PHE 125 Ca -0.06 -1.01 0.06 0.00 -0.60 0.00 0.00 56.93 55.31 1q86 s PHE 125 Cb -0.00 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.99 1q86 s PHE 125 CO 0.04 -0.27 0.19 -1.54 0.70 0.00 0.00 175.22 174.34 1q86 s SER 126 N -3.03 5.57 0.11 1.36 1.04 -1.12 -4.94 113.70 112.69 1q86 s SER 126 Ca 0.14 -0.19 -0.28 0.00 0.48 0.00 0.00 55.95 56.10 1q86 s SER 126 Cb 0.06 -1.45 -0.09 0.00 0.10 0.00 0.00 66.02 64.65 1q86 s SER 126 CO -0.04 -0.01 1.46 -0.33 0.98 0.00 0.00 173.24 175.30 1q86 h GLU 127 N 1.76 -0.31 -0.95 4.02 5.08 -2.00 0.35 114.58 122.53 1q86 h GLU 127 Ca -0.48 0.02 0.28 0.00 -1.00 0.00 0.00 59.36 58.18 1q86 h GLU 127 Cb 1.23 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 30.40 1q86 h GLU 127 CO 0.62 -0.21 0.41 0.78 -1.00 0.00 0.00 179.01 179.61 1q86 h GLY 128 N -0.33 1.74 0.91 -3.84 0.00 -1.96 0.38 103.07 99.97 1q86 h GLY 128 Ca 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1q86 h GLY 128 CO -0.51 -0.43 0.10 0.00 0.00 0.00 0.00 176.54 175.70 1q86 h ALA 129 N 1.82 0.42 0.56 3.60 0.00 -1.24 -1.99 119.26 122.43 1q86 h ALA 129 Ca 0.65 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 1q86 h ALA 129 Cb 1.40 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1q86 h ALA 129 CO -0.63 0.06 -0.27 0.00 0.00 0.00 0.00 179.25 178.41 1q86 h ARG 130 N 0.37 -0.73 -0.94 0.00 3.08 0.11 -1.94 114.38 114.33 1q86 h ARG 130 Ca 0.10 0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.39 1q86 h ARG 130 Cb 0.25 0.17 -0.18 0.00 0.08 0.00 0.00 29.97 30.29 1q86 h ARG 130 CO -0.00 -0.49 -0.24 0.93 -1.07 0.00 0.00 179.97 179.10 1q86 h GLU 131 N -0.94 -0.00 0.18 0.04 5.08 -1.16 0.13 114.58 117.90 1q86 h GLU 131 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1q86 h GLU 131 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1q86 h GLU 131 CO 0.13 -0.00 -0.09 0.87 -1.00 0.00 0.00 179.01 178.92 1q86 h LYS 132 N -0.00 -0.24 -0.55 2.33 1.57 -1.37 0.93 116.57 119.25 1q86 h LYS 132 Ca 0.45 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.23 1q86 h LYS 132 Cb 0.68 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1q86 h LYS 132 CO -0.96 -0.11 0.31 0.28 -0.57 0.00 0.00 179.45 178.39 1q86 h VAL 133 N -0.31 1.17 -0.04 0.50 2.07 -0.23 -2.48 116.25 116.93 1q86 h VAL 133 Ca -0.03 -0.40 -0.18 0.00 0.82 0.00 0.00 66.70 66.91 1q86 h VAL 133 Cb 0.24 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1q86 h VAL 133 CO 0.04 0.18 -0.68 -0.33 0.02 0.00 0.00 177.57 176.80 1q86 h GLU 134 N 0.76 0.53 -0.05 1.57 5.08 -0.72 0.08 114.58 121.84 1q86 h GLU 134 Ca 0.20 -0.52 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1q86 h GLU 134 Cb 0.01 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1q86 h GLU 134 CO -0.03 1.15 0.13 0.78 -1.00 0.00 0.00 179.01 180.04 1q86 h GLY 135 N 0.11 0.00 -3.98 -3.84 0.00 -0.47 0.20 103.07 95.10 1q86 h GLY 135 Ca -0.07 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.73 1q86 h GLY 135 CO 0.14 0.00 0.67 0.00 0.00 0.00 0.00 176.54 177.35 1q86 n ALA 136 N -2.13 5.64 -3.36 3.60 0.00 -0.97 -4.87 120.51 118.42 1q86 n ALA 136 Ca -0.02 -2.92 -0.19 0.00 0.00 0.00 0.00 53.44 50.31 1q86 n ALA 136 Cb 0.21 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.25 1q86 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 137 N -1.11 -1.13 3.20 0.00 0.00 0.69 -3.62 105.19 103.22 1q86 n GLY 137 Ca 0.60 0.55 -0.12 0.00 0.00 0.00 0.00 46.02 47.05 1q86 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q86 s GLY 138 N -3.39 1.40 0.13 -0.02 0.00 0.01 -4.21 107.32 101.24 1q86 s GLY 138 Ca 0.45 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.54 1q86 s GLY 138 CO 0.77 -1.39 -0.11 -1.35 0.00 0.00 0.00 173.10 171.03 1q86 s SER 139 N -3.15 1.73 -0.18 1.64 1.04 -0.22 -3.66 113.70 110.91 1q86 s SER 139 Ca 0.38 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1q86 s SER 139 Cb 0.07 -0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.22 1q86 s SER 139 CO 0.11 -0.29 -0.08 -0.69 0.98 0.00 0.00 173.24 173.27 1q86 s VAL 140 N -2.96 1.38 -0.23 5.02 1.01 -1.26 -1.75 120.40 121.61 1q86 s VAL 140 Ca 0.13 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1q86 s VAL 140 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1q86 s VAL 140 CO 0.01 0.16 0.14 -1.61 0.00 0.00 0.00 175.10 173.80 1q86 s GLU 141 N 1.52 4.00 -0.06 2.72 2.02 0.20 -4.98 118.70 124.12 1q86 s GLU 141 Ca 0.00 -0.31 -0.25 0.00 0.02 0.00 0.00 54.97 54.43 1q86 s GLU 141 Cb -0.16 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.57 1q86 s GLU 141 CO -0.08 0.05 0.77 -1.17 0.02 0.00 0.00 175.26 174.85 1q86 s LEU 142 N 1.06 4.32 1.02 1.80 2.96 -1.26 -2.34 118.68 126.24 1q86 s LEU 142 Ca 0.07 1.29 -0.12 0.00 -0.22 0.00 0.00 54.13 55.15 1q86 s LEU 142 Cb -0.14 -3.20 0.20 0.00 0.50 0.00 0.00 46.19 43.55 1q86 s LEU 142 CO 0.04 -0.17 1.08 -0.89 -1.32 0.00 0.00 176.35 175.09 1q86 s THR 143 N 0.94 2.23 0.35 3.68 2.01 -0.48 -4.80 115.64 119.57 1q86 s THR 143 Ca 0.41 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.52 1q86 s THR 143 Cb -0.18 -2.37 0.22 0.00 0.01 0.00 0.00 72.50 70.17 1q86 s THR 143 CO 0.20 -0.10 1.95 0.44 -0.69 0.00 0.00 174.62 176.42 1q86 h ASP 144 N -2.04 0.62 -0.70 3.53 3.32 -1.97 0.39 116.42 119.58 1q86 h ASP 144 Ca -0.54 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.38 1q86 h ASP 144 Cb 1.31 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1q86 h ASP 144 CO 0.52 0.54 0.15 0.25 -1.72 0.00 0.00 179.24 178.99 1q86 h LEU 145 N 0.69 1.07 -1.10 1.55 6.46 -1.93 -0.16 115.31 121.90 1q86 h LEU 145 Ca 0.17 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1q86 h LEU 145 Cb 0.09 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.74 1q86 h LEU 145 CO -0.02 1.04 0.11 0.61 -0.62 0.00 0.00 178.44 179.55 1q86 n GLY 146 N -0.64 -0.74 1.38 3.75 0.00 0.13 -2.70 105.19 106.38 1q86 n GLY 146 Ca 0.05 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1q86 n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q86 n GLU 147 N -2.10 0.58 -2.14 1.61 1.02 -0.07 -3.80 120.64 115.73 1q86 n GLU 147 Ca -0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.85 1q86 n GLU 147 Cb 0.13 -1.21 0.02 0.00 -0.02 0.00 0.00 31.44 30.36 1q86 n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1q86 n GLU 148 N 1.25 3.37 -3.62 3.49 1.02 -1.10 -4.91 120.64 120.14 1q86 n GLU 148 Ca 0.00 -4.17 -0.28 0.00 -0.02 0.00 0.00 57.16 52.69 1q86 n GLU 148 Cb 0.29 -2.27 -0.10 0.00 -0.02 0.00 0.00 31.44 29.35 1q86 n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q86 n ARG 149 N -0.61 2.26 0.00 3.49 1.74 -1.25 -5.21 116.66 117.08 1q86 n ARG 149 Ca 0.45 -4.60 0.00 0.00 -0.77 0.00 0.00 57.85 52.92 1q86 n ARG 149 Cb 0.74 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1q86 n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05