#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s SER 2 N 0.00 5.14 0.08 8.00 1.04 -1.26 -5.00 113.70 121.70 1q82 s SER 2 Ca 0.00 0.49 -0.33 0.00 0.48 0.00 0.00 55.95 56.58 1q82 s SER 2 Cb 0.00 -1.29 -0.17 0.00 0.10 0.00 0.00 66.02 64.66 1q82 s SER 2 CO 0.00 -1.36 1.61 0.50 0.98 0.00 0.00 173.24 174.97 1q82 h LYS 3 N -0.37 -0.89 -0.68 4.02 3.64 -2.07 -2.72 116.57 117.50 1q82 h LYS 3 Ca -0.44 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.14 1q82 h LYS 3 Cb 1.29 0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 33.19 1q82 h LYS 3 CO 0.59 -0.59 -0.10 0.87 -2.27 0.00 0.00 179.45 177.96 1q82 h LYS 4 N -0.92 0.04 -0.28 1.90 1.57 -2.02 0.41 116.57 117.27 1q82 h LYS 4 Ca -0.07 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1q82 h LYS 4 Cb 0.75 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1q82 h LYS 4 CO 0.07 0.03 0.39 -0.22 -0.57 0.00 0.00 179.45 179.15 1q82 h LYS 5 N 0.04 0.00 -0.06 3.15 1.63 -1.88 0.15 116.57 119.61 1q82 h LYS 5 Ca 0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 1q82 h LYS 5 Cb 0.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1q82 h LYS 5 CO -0.65 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 175.89 1q82 n ARG 6 N -3.51 1.86 0.18 1.90 1.74 0.14 -4.43 116.66 114.54 1q82 n ARG 6 Ca 0.04 -1.26 0.04 0.00 -0.77 0.00 0.00 57.85 55.90 1q82 n ARG 6 Cb 0.53 -1.47 0.31 0.00 -1.02 0.00 0.00 32.46 30.81 1q82 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1q82 h GLN 7 N 2.97 0.00 -6.16 5.56 1.08 -0.65 -3.44 115.11 114.47 1q82 h GLN 7 Ca 0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 1q82 h GLN 7 Cb 0.63 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1q82 h GLN 7 CO 0.00 0.43 1.34 0.54 -0.95 0.00 0.00 178.83 180.19 1q82 n ARG 8 N -3.68 2.24 0.00 1.46 5.12 -1.26 -1.29 116.66 119.25 1q82 n ARG 8 Ca -0.01 0.74 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 1q82 n ARG 8 Cb 0.52 -3.01 0.00 0.00 -1.16 0.00 0.00 32.46 28.81 1q82 n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q82 n GLY 9 N 5.20 2.13 0.06 -0.13 0.00 -1.26 -4.92 105.19 106.27 1q82 n GLY 9 Ca 0.26 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.41 1q82 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q82 n SER 10 N 0.00 0.42 0.00 1.61 3.41 -0.41 -4.91 113.62 113.74 1q82 n SER 10 Ca 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1q82 n SER 10 Cb 0.00 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 1q82 n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1q82 n ARG 11 N -1.91 0.00 -0.10 4.33 0.63 -1.26 -4.25 116.66 114.09 1q82 n ARG 11 Ca 0.05 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.09 1q82 n ARG 11 Cb 0.33 0.00 0.31 0.00 0.45 0.00 0.00 32.46 33.55 1q82 n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1q82 n THR 12 N 0.00 0.27 -4.06 5.15 -2.24 -1.26 -4.96 114.28 107.17 1q82 n THR 12 Ca 0.00 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 60.96 1q82 n THR 12 Cb 0.00 0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 68.85 1q82 n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1q82 n HIS 13 N 0.78 -1.45 -1.13 4.78 8.25 -1.26 0.11 115.22 125.30 1q82 n HIS 13 Ca 0.17 0.58 -0.04 0.00 -0.26 0.00 0.00 57.72 58.17 1q82 n HIS 13 Cb 0.44 -2.01 -0.02 0.00 1.12 0.00 0.00 29.99 29.53 1q82 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q82 n GLY 14 N -1.04 0.72 0.63 -1.41 0.00 -1.26 -4.91 105.19 97.93 1q82 n GLY 14 Ca 0.08 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.59 1q82 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 15 N -2.23 0.38 6.60 -0.02 0.00 0.12 -5.04 105.19 105.00 1q82 n GLY 15 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1q82 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 16 N 1.22 0.33 3.76 -0.02 0.00 -1.26 -4.72 105.19 104.50 1q82 n GLY 16 Ca 0.17 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1q82 n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q82 s SER 17 N -4.00 6.62 0.00 1.61 0.15 -1.26 -4.82 113.70 112.00 1q82 s SER 17 Ca 0.00 2.76 0.05 0.00 0.70 0.00 0.00 55.95 59.46 1q82 s SER 17 Cb 0.00 -2.64 0.25 0.00 -1.71 0.00 0.00 66.02 61.92 1q82 s SER 17 CO 0.00 -0.69 0.98 0.00 1.20 0.00 0.00 173.24 174.74 1q82 n HIS 18 N 1.45 0.00 1.40 3.44 -0.00 -1.26 -0.70 115.22 119.55 1q82 n HIS 18 Ca 0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.87 1q82 n HIS 18 Cb 0.40 -0.27 0.46 0.00 -0.00 0.00 0.00 29.99 30.59 1q82 n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1q82 n LYS 19 N -1.27 1.64 -0.02 -1.40 5.02 -1.26 -4.52 118.16 116.34 1q82 n LYS 19 Ca 0.02 -0.95 -0.00 0.00 -2.02 0.00 0.00 58.31 55.36 1q82 n LYS 19 Cb 0.04 -1.42 -0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1q82 n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1q82 h ASN 20 N 2.06 0.00 -0.11 4.39 2.35 -1.20 -3.43 115.58 119.63 1q82 h ASN 20 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 1q82 h ASN 20 Cb 0.45 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.86 1q82 h ASN 20 CO 0.00 0.25 1.81 0.54 -1.65 0.00 0.00 177.43 178.38 1q82 n ARG 21 N -3.26 1.26 0.00 0.81 1.74 -1.26 -4.73 116.66 111.22 1q82 n ARG 21 Ca -0.01 -1.86 0.00 0.00 -0.77 0.00 0.00 57.85 55.21 1q82 n ARG 21 Cb 0.03 -3.08 0.00 0.00 -1.02 0.00 0.00 32.46 28.39 1q82 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1q82 n ARG 22 N 7.47 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 125.01 1q82 n ARG 22 Ca 0.48 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1q82 n ARG 22 Cb 0.42 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 1q82 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q82 n GLY 23 N 5.00 1.37 0.11 -0.13 0.00 -1.26 -4.96 105.19 105.32 1q82 n GLY 23 Ca 0.00 -1.84 0.11 0.00 0.00 0.00 0.00 46.02 44.29 1q82 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 n ALA 24 N -3.00 1.55 0.24 4.61 0.00 -1.26 -2.79 120.51 119.87 1q82 n ALA 24 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.60 1q82 n ALA 24 Cb 0.00 -1.34 0.60 0.00 0.00 0.00 0.00 19.45 18.71 1q82 n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1q82 h GLY 25 N 1.91 0.00 2.00 0.00 0.00 -1.93 0.19 103.07 105.25 1q82 h GLY 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q82 h GLY 25 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 176.54 177.38 1q82 h HIS 26 N 0.00 0.00 -0.01 5.60 6.17 -1.83 -2.65 115.15 122.44 1q82 h HIS 26 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1q82 h HIS 26 Cb 0.28 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.21 1q82 h HIS 26 CO 0.00 0.00 -0.36 0.54 0.71 0.00 0.00 177.93 178.82 1q82 n ARG 27 N -2.37 1.54 -1.69 5.26 1.74 0.50 -4.96 116.66 116.68 1q82 n ARG 27 Ca 0.04 -0.90 -0.09 0.00 -0.77 0.00 0.00 57.85 56.13 1q82 n ARG 27 Cb 0.36 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 1q82 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q82 n GLY 28 N 1.23 0.55 0.00 -0.13 0.00 -0.20 -4.85 105.19 101.79 1q82 n GLY 28 Ca 0.08 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1q82 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 29 N -1.48 3.51 3.67 -0.02 0.00 -0.59 -4.60 105.19 105.68 1q82 n GLY 29 Ca -0.10 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 1q82 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q82 s ARG 30 N -3.52 4.30 6.99 1.61 6.06 -1.26 -4.61 118.95 128.51 1q82 s ARG 30 Ca 0.00 1.56 0.00 0.00 -2.50 0.00 0.00 55.73 54.79 1q82 s ARG 30 Cb 0.00 -3.65 0.00 0.00 0.06 0.00 0.00 34.95 31.36 1q82 s ARG 30 CO 0.00 -0.56 0.00 0.41 -2.50 0.00 0.00 175.30 172.65 1q82 n GLY 31 N 3.41 2.06 0.00 8.12 0.00 -1.26 -2.88 105.19 114.63 1q82 n GLY 31 Ca 0.12 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.76 1q82 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q82 n ASP 32 N 5.78 0.00 -4.51 1.61 8.00 -1.26 -4.94 116.55 121.22 1q82 n ASP 32 Ca 0.00 -1.86 -0.57 0.00 0.71 0.00 0.00 54.79 53.07 1q82 n ASP 32 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1q82 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q82 n ALA 33 N -0.54 -3.12 -1.03 2.24 0.00 -1.14 -1.97 120.51 114.96 1q82 n ALA 33 Ca 0.02 0.58 -0.01 0.00 0.00 0.00 0.00 53.44 54.02 1q82 n ALA 33 Cb 0.01 -1.81 -0.00 0.00 0.00 0.00 0.00 19.45 17.64 1q82 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q82 n GLY 34 N 1.70 0.49 0.01 0.00 0.00 -1.26 -4.76 105.19 101.36 1q82 n GLY 34 Ca 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1q82 n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1q82 n ARG 35 N -2.75 0.01 -0.00 1.61 -4.01 -0.83 -1.04 116.66 109.64 1q82 n ARG 35 Ca -0.01 0.51 0.01 0.00 -1.04 0.00 0.00 57.85 57.32 1q82 n ARG 35 Cb 0.06 -1.52 -0.01 0.00 -3.04 0.00 0.00 32.46 27.95 1q82 n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1q82 n ASP 36 N -1.53 3.29 0.00 2.89 5.75 -1.26 -3.86 116.55 121.84 1q82 n ASP 36 Ca -0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 1q82 n ASP 36 Cb 0.00 1.06 0.00 0.00 -1.03 0.00 0.00 41.12 41.15 1q82 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1q82 n LYS 37 N -1.41 0.00 0.20 0.11 4.76 -0.21 -4.71 118.16 116.90 1q82 n LYS 37 Ca -0.00 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.53 1q82 n LYS 37 Cb 0.04 0.00 0.32 0.00 -1.84 0.00 0.00 35.03 33.55 1q82 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1q82 h HIS 38 N 0.00 0.00 -0.45 2.13 2.07 -1.93 -3.28 115.15 113.69 1q82 h HIS 38 Ca 0.00 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.19 1q82 h HIS 38 Cb 0.00 0.00 -0.29 0.00 2.57 0.00 0.00 27.41 29.69 1q82 h HIS 38 CO 0.00 0.25 -0.75 0.39 -3.07 0.00 0.00 177.93 174.75 1q82 n GLU 39 N -3.28 2.67 -0.13 5.12 1.02 -0.30 -4.79 120.64 120.94 1q82 n GLU 39 Ca 0.01 -3.75 -0.02 0.00 -0.02 0.00 0.00 57.16 53.38 1q82 n GLU 39 Cb 0.52 -1.92 0.21 0.00 -0.02 0.00 0.00 31.44 30.23 1q82 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1q82 h PHE 40 N 1.78 0.84 -0.95 -0.32 -5.15 -1.59 -3.38 116.94 108.18 1q82 h PHE 40 Ca 0.19 -0.07 -0.78 0.00 -0.20 0.00 0.00 57.97 57.11 1q82 h PHE 40 Cb 1.36 -0.25 0.03 0.00 0.22 0.00 0.00 35.95 37.32 1q82 h PHE 40 CO 0.77 0.69 0.27 0.72 -2.00 0.00 0.00 178.31 178.75 1q82 n HIS 41 N -4.29 0.98 -2.18 6.09 -0.00 -1.26 -2.42 115.22 112.13 1q82 n HIS 41 Ca 0.04 1.03 -0.18 0.00 -0.00 0.00 0.00 57.72 58.61 1q82 n HIS 41 Cb 0.20 -2.03 -0.02 0.00 -0.00 0.00 0.00 29.99 28.14 1q82 n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1q82 n ASN 42 N 2.25 -5.27 -4.34 0.41 5.03 -1.26 -5.01 115.26 107.07 1q82 n ASN 42 Ca 0.23 0.08 -0.32 0.00 0.87 0.00 0.00 54.58 55.43 1q82 n ASN 42 Cb 0.03 -4.34 -0.15 0.00 -1.02 0.00 0.00 39.78 34.30 1q82 n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1q82 s HIS 43 N -2.86 2.64 0.45 3.10 3.76 -1.01 -5.11 115.29 116.26 1q82 s HIS 43 Ca 0.00 -0.62 -0.25 0.00 -0.15 0.00 0.00 55.06 54.04 1q82 s HIS 43 Cb 0.00 -1.71 -0.08 0.00 1.11 0.00 0.00 32.58 31.90 1q82 s HIS 43 CO 0.00 -0.15 1.38 -1.21 -0.85 0.00 0.00 174.74 173.91 1q82 s GLU 44 N -0.04 3.71 0.85 1.40 2.02 -1.26 -4.93 118.70 120.45 1q82 s GLU 44 Ca -0.05 2.32 -0.14 0.00 0.02 0.00 0.00 54.97 57.13 1q82 s GLU 44 Cb -0.14 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.47 1q82 s GLU 44 CO 0.04 -0.76 0.68 -0.35 0.02 0.00 0.00 175.26 174.89 1q82 n PRO 45 N -0.19 -0.02 -1.57 0.39 -0.04 -1.26 -4.99 135.00 127.32 1q82 n PRO 45 Ca 0.05 0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.25 1q82 n PRO 45 Cb 0.43 -2.02 0.05 0.00 -0.04 0.00 0.00 33.50 31.92 1q82 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1q82 s LEU 46 N -2.26 3.16 0.00 1.53 1.43 -1.26 -5.00 118.68 116.27 1q82 s LEU 46 Ca 0.64 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1q82 s LEU 46 Cb -0.27 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.44 1q82 s LEU 46 CO 0.60 -1.53 0.00 0.61 0.23 0.00 0.00 176.35 176.26 1q82 n GLY 47 N -1.69 2.83 3.93 -3.19 0.00 -1.26 -5.09 105.19 100.71 1q82 n GLY 47 Ca 0.08 -2.04 -0.23 0.00 0.00 0.00 0.00 46.02 43.82 1q82 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q82 s LYS 48 N -2.19 3.35 -0.22 1.61 1.02 -1.26 -5.11 119.74 116.94 1q82 s LYS 48 Ca 0.00 -0.73 -0.07 0.00 0.02 0.00 0.00 55.97 55.19 1q82 s LYS 48 Cb 0.00 -2.87 0.10 0.00 -0.52 0.00 0.00 37.83 34.54 1q82 s LYS 48 CO 0.00 0.47 0.45 0.45 -0.92 0.00 0.00 175.35 175.80 1q82 s SER 49 N -3.60 -0.38 0.65 2.83 0.15 -1.26 -5.14 113.70 106.95 1q82 s SER 49 Ca 0.34 1.04 0.00 0.00 0.70 0.00 0.00 55.95 58.03 1q82 s SER 49 Cb -0.10 1.49 0.00 0.00 -1.71 0.00 0.00 66.02 65.70 1q82 s SER 49 CO 0.28 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1q82 n GLY 50 N 5.40 0.23 3.49 9.45 0.00 -1.26 -4.99 105.19 117.52 1q82 n GLY 50 Ca -0.09 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1q82 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1q82 s PHE 51 N 0.00 0.80 0.05 1.61 -0.12 -1.26 -5.17 117.98 113.89 1q82 s PHE 51 Ca 0.00 -1.09 0.05 0.00 -0.05 0.00 0.00 56.93 55.84 1q82 s PHE 51 Cb 0.00 -0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 1q82 s PHE 51 CO 0.00 -1.03 -0.13 0.15 -0.05 0.00 0.00 175.22 174.16 1q82 s LYS 52 N -3.53 0.83 0.13 1.99 1.02 -1.26 -5.14 119.74 113.77 1q82 s LYS 52 Ca 0.28 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 55.37 1q82 s LYS 52 Cb 0.00 -0.81 -0.06 0.00 -0.52 0.00 0.00 37.83 36.44 1q82 s LYS 52 CO 0.15 0.19 0.45 1.03 -0.92 0.00 0.00 175.35 176.25 1q82 s ARG 53 N -1.37 3.78 0.28 1.68 0.52 -1.26 -5.02 118.95 117.56 1q82 s ARG 53 Ca -0.01 0.20 -0.28 0.00 -0.52 0.00 0.00 55.73 55.11 1q82 s ARG 53 Cb -0.09 -2.90 -0.14 0.00 0.52 0.00 0.00 34.95 32.34 1q82 s ARG 53 CO 0.01 0.49 1.05 -0.35 0.02 0.00 0.00 175.30 176.52 1q82 n PRO 54 N 0.57 1.40 -0.33 3.54 -0.04 -1.26 -4.84 135.00 134.05 1q82 n PRO 54 Ca -0.05 0.49 0.15 0.00 -0.04 0.00 0.00 63.50 64.05 1q82 n PRO 54 Cb 0.52 -1.89 0.34 0.00 -0.04 0.00 0.00 33.50 32.43 1q82 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1q82 h GLN 55 N 2.19 0.52 -0.34 0.54 4.20 -1.97 -0.72 115.11 119.53 1q82 h GLN 55 Ca -0.40 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1q82 h GLN 55 Cb 1.34 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1q82 h GLN 55 CO 0.62 0.35 0.00 0.36 -0.67 0.00 0.00 178.83 179.48 1q82 n LYS 56 N -4.93 1.42 -0.05 1.46 2.85 -1.26 -2.67 118.16 114.98 1q82 n LYS 56 Ca 0.24 -0.51 0.02 0.00 -1.05 0.00 0.00 58.31 57.01 1q82 n LYS 56 Cb 0.67 -1.24 0.05 0.00 -0.65 0.00 0.00 35.03 33.86 1q82 n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1q82 n VAL 57 N -0.05 0.94 -3.93 0.58 0.31 -0.28 -4.99 118.33 110.91 1q82 n VAL 57 Ca 0.05 -0.97 -0.36 0.00 -0.01 0.00 0.00 64.34 63.05 1q82 n VAL 57 Cb 0.19 0.54 -0.06 0.00 -0.91 0.00 0.00 33.84 33.60 1q82 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1q82 s GLN 58 N -0.96 3.40 -0.17 5.55 -0.21 -1.09 -4.98 119.66 121.20 1q82 s GLN 58 Ca 0.07 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.25 1q82 s GLN 58 Cb 0.04 -3.13 0.01 0.00 1.00 0.00 0.00 33.01 30.93 1q82 s GLN 58 CO 0.05 0.75 -0.17 -1.21 -2.12 0.00 0.00 175.29 172.59 1q82 s GLU 59 N -1.25 3.10 -0.37 2.91 2.02 -1.26 -5.07 118.70 118.78 1q82 s GLU 59 Ca 0.18 -0.79 -0.12 0.00 0.02 0.00 0.00 54.97 54.26 1q82 s GLU 59 Cb -0.12 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.50 1q82 s GLU 59 CO 0.08 -0.12 0.23 -2.00 0.02 0.00 0.00 175.26 173.46 1q82 s GLU 60 N 1.13 3.06 -0.12 1.61 2.12 -1.26 -4.98 118.70 120.25 1q82 s GLU 60 Ca 0.01 -0.93 -0.24 0.00 0.36 0.00 0.00 54.97 54.16 1q82 s GLU 60 Cb -0.14 -3.78 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 1q82 s GLU 60 CO -0.07 -0.62 0.76 0.00 -0.54 0.00 0.00 175.26 174.79 1q82 s ALA 61 N 1.62 3.42 -0.25 6.30 0.00 -1.26 -0.84 121.76 130.75 1q82 s ALA 61 Ca 0.04 0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.81 1q82 s ALA 61 Cb -0.18 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1q82 s ALA 61 CO 0.08 -0.39 0.89 0.00 0.00 0.00 0.00 175.76 176.34 1q82 s ALA 62 N 1.49 3.63 0.23 0.00 0.00 0.47 -4.91 121.76 122.66 1q82 s ALA 62 Ca 0.38 -0.10 0.10 0.00 0.00 0.00 0.00 51.96 52.33 1q82 s ALA 62 Cb -0.17 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1q82 s ALA 62 CO 0.15 -1.04 -0.07 0.95 0.00 0.00 0.00 175.76 175.76 1q82 s THR 63 N 3.00 3.21 -0.25 0.00 -4.23 -1.26 0.28 115.64 116.39 1q82 s THR 63 Ca 0.37 -1.88 -0.22 0.00 -1.18 0.00 0.00 61.69 58.79 1q82 s THR 63 Cb -0.15 -2.66 0.07 0.00 1.34 0.00 0.00 72.50 71.10 1q82 s THR 63 CO 0.08 -0.27 0.66 -0.51 -0.54 0.00 0.00 174.62 174.04 1q82 s ILE 64 N -2.10 -0.00 0.26 2.99 2.07 -0.96 -4.96 121.20 118.50 1q82 s ILE 64 Ca 0.29 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.39 1q82 s ILE 64 Cb -0.07 -0.92 -0.08 0.00 0.13 0.00 0.00 42.46 41.51 1q82 s ILE 64 CO 0.17 0.00 0.65 -1.81 -1.91 0.00 0.00 174.94 172.04 1q82 s ASP 65 N 0.58 6.75 0.30 4.50 1.01 -1.26 -0.15 116.67 128.40 1q82 s ASP 65 Ca -0.02 1.14 0.04 0.00 0.71 0.00 0.00 52.55 54.42 1q82 s ASP 65 Cb -0.05 -2.31 0.64 0.00 1.01 0.00 0.00 42.92 42.21 1q82 s ASP 65 CO -0.03 -0.10 1.83 -0.37 0.21 0.00 0.00 175.17 176.71 1q82 h VAL 66 N 2.14 0.86 -0.75 -1.27 -1.51 -1.17 -1.15 116.25 113.40 1q82 h VAL 66 Ca -0.48 -0.31 0.15 0.00 -1.23 0.00 0.00 66.70 64.83 1q82 h VAL 66 Cb 1.18 -0.12 -0.10 0.00 -2.13 0.00 0.00 31.29 30.12 1q82 h VAL 66 CO 0.67 0.16 0.28 -0.09 -1.23 0.00 0.00 177.57 177.36 1q82 h ARG 67 N 0.90 0.40 0.81 5.19 2.43 -1.63 0.20 114.38 122.68 1q82 h ARG 67 Ca 0.51 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.61 1q82 h ARG 67 Cb 0.61 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1q82 h ARG 67 CO -0.28 0.26 -0.39 1.49 -1.51 0.00 0.00 179.97 179.55 1q82 h GLU 68 N 0.41 -1.05 -0.20 0.20 4.81 -1.50 0.18 114.58 117.43 1q82 h GLU 68 Ca 0.42 0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.75 1q82 h GLU 68 Cb 0.65 0.24 -0.06 0.00 0.63 0.00 0.00 28.75 30.21 1q82 h GLU 68 CO -0.42 -0.69 -0.50 0.82 -0.73 0.00 0.00 179.01 177.49 1q82 h ILE 69 N -1.13 0.00 -0.64 2.32 2.04 -1.32 -2.40 117.51 116.37 1q82 h ILE 69 Ca -0.11 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.87 1q82 h ILE 69 Cb 0.84 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.83 1q82 h ILE 69 CO 0.18 0.00 0.17 -0.78 0.00 0.00 0.00 178.15 177.72 1q82 h ASP 70 N -0.47 0.06 0.31 1.72 3.58 -0.57 -1.80 116.42 119.25 1q82 h ASP 70 Ca 0.04 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1q82 h ASP 70 Cb 0.59 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1q82 h ASP 70 CO -0.44 0.03 0.00 -0.33 -2.88 0.00 0.00 179.24 175.62 1q82 h GLU 71 N 0.30 0.00 -0.04 0.28 5.08 -0.12 -2.99 114.58 117.09 1q82 h GLU 71 Ca 0.34 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 1q82 h GLU 71 Cb 0.51 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 1q82 h GLU 71 CO -0.41 0.00 -0.60 0.09 -1.00 0.00 0.00 179.01 177.09 1q82 n ASN 72 N -2.92 1.75 0.30 1.42 3.02 -0.69 -4.82 115.26 113.31 1q82 n ASN 72 Ca -0.02 -3.59 -0.16 0.00 -0.03 0.00 0.00 54.58 50.78 1q82 n ASN 72 Cb 0.14 -0.48 -0.08 0.00 -0.61 0.00 0.00 39.78 38.74 1q82 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1q82 h VAL 73 N 2.03 0.45 -0.53 2.41 -1.51 -1.35 -1.21 116.25 116.55 1q82 h VAL 73 Ca -0.02 -0.13 0.06 0.00 -1.23 0.00 0.00 66.70 65.38 1q82 h VAL 73 Cb 1.17 0.51 -0.05 0.00 -2.13 0.00 0.00 31.29 30.79 1q82 h VAL 73 CO 0.05 0.02 0.24 0.71 -1.23 0.00 0.00 177.57 177.37 1q82 h THR 74 N -0.80 0.90 0.00 7.19 1.35 -1.87 -0.88 112.91 118.79 1q82 h THR 74 Ca -0.07 -0.16 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1q82 h THR 74 Cb 0.59 0.40 -0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1q82 h THR 74 CO 0.12 0.08 -0.02 -0.07 -0.25 0.00 0.00 175.52 175.39 1q82 h LEU 75 N 0.47 0.00 -4.38 3.87 3.38 -1.86 -2.64 115.31 114.15 1q82 h LEU 75 Ca 0.24 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.76 1q82 h LEU 75 Cb 0.20 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.78 1q82 h LEU 75 CO -0.20 0.02 0.32 0.18 0.09 0.00 0.00 178.44 178.85 1q82 n LEU 76 N -3.31 6.36 -0.20 1.67 4.77 -0.34 -4.63 117.00 121.33 1q82 n LEU 76 Ca -0.02 -3.91 0.27 0.00 -0.03 0.00 0.00 56.01 52.32 1q82 n LEU 76 Cb 0.12 -1.23 0.69 0.00 -2.33 0.00 0.00 43.42 40.67 1q82 n LEU 76 CO 0.24 1.68 1.26 0.00 -1.33 0.00 0.00 177.39 179.23 1q82 h ALA 77 N 2.84 2.75 -0.13 -1.18 0.00 -1.62 -1.20 119.26 120.73 1q82 h ALA 77 Ca 0.36 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1q82 h ALA 77 Cb 0.81 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1q82 h ALA 77 CO 0.81 -1.02 0.11 0.00 0.00 0.00 0.00 179.25 179.14 1q82 n ALA 78 N -2.68 3.94 -3.66 0.00 0.00 -1.26 -4.73 120.51 112.12 1q82 n ALA 78 Ca 0.19 -0.43 -0.06 0.00 0.00 0.00 0.00 53.44 53.14 1q82 n ALA 78 Cb 0.94 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 1q82 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q82 s ASP 79 N 1.30 -0.51 0.00 0.00 1.01 -0.45 -5.15 116.67 112.87 1q82 s ASP 79 Ca 0.08 1.15 0.00 0.00 0.71 0.00 0.00 52.55 54.49 1q82 s ASP 79 Cb 0.06 1.60 0.00 0.00 1.01 0.00 0.00 42.92 45.59 1q82 s ASP 79 CO 0.00 -0.23 0.00 0.47 0.21 0.00 0.00 175.17 175.62 1q82 n ASP 80 N 5.38 0.00 -4.05 0.27 9.92 -1.25 -4.78 116.55 122.04 1q82 n ASP 80 Ca -0.10 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 53.95 1q82 n ASP 80 Cb 0.49 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.82 1q82 n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1q82 s VAL 81 N 0.00 0.95 0.00 2.53 1.01 -1.26 -2.53 120.40 121.09 1q82 s VAL 81 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1q82 s VAL 81 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1q82 s VAL 81 CO 0.00 0.28 0.00 0.00 0.00 0.00 0.00 175.10 175.38 1q82 n ALA 82 N 3.07 0.00 0.32 5.51 0.00 -1.26 -4.90 120.51 123.24 1q82 n ALA 82 Ca -0.16 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.30 1q82 n ALA 82 Cb 0.55 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.10 1q82 n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1q82 h GLU 83 N 0.00 0.00 -6.62 0.00 4.11 -2.01 -3.50 114.58 106.57 1q82 h GLU 83 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 1q82 h GLU 83 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1q82 h GLU 83 CO 0.00 0.00 -0.11 -0.06 0.07 0.00 0.00 179.01 178.91 1q82 s PHE 89 N -3.92 3.51 -0.12 2.06 0.40 -0.46 -5.08 117.98 114.36 1q82 s PHE 89 Ca -0.00 0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 56.79 1q82 s PHE 89 Cb 0.01 -2.01 0.04 0.00 0.51 0.00 0.00 43.02 41.57 1q82 s PHE 89 CO 0.04 0.03 -0.01 0.50 0.70 0.00 0.00 175.22 176.47 1q82 s ARG 90 N -4.37 0.87 -0.03 0.44 3.52 -1.05 -0.97 118.95 117.35 1q82 s ARG 90 Ca 0.42 -0.18 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 1q82 s ARG 90 Cb -0.10 -1.52 0.01 0.00 -1.56 0.00 0.00 34.95 31.78 1q82 s ARG 90 CO 0.38 -0.41 -0.08 0.54 -0.81 0.00 0.00 175.30 174.92 1q82 s VAL 91 N 1.86 0.70 -0.58 7.11 0.11 -0.40 -3.83 120.40 125.38 1q82 s VAL 91 Ca 0.03 -0.28 -0.23 0.00 -2.93 0.00 0.00 61.98 58.56 1q82 s VAL 91 Cb -0.14 -0.65 0.05 0.00 -1.53 0.00 0.00 36.38 34.11 1q82 s VAL 91 CO -0.07 0.24 0.91 -0.62 -3.33 0.00 0.00 175.10 172.23 1q82 s ASP 92 N 0.43 6.27 0.36 3.54 -1.08 -1.26 -2.50 116.67 122.43 1q82 s ASP 92 Ca -0.07 -0.62 0.14 0.00 -0.52 0.00 0.00 52.55 51.48 1q82 s ASP 92 Cb -0.11 -2.41 0.98 0.00 -1.46 0.00 0.00 42.92 39.92 1q82 s ASP 92 CO 0.01 -1.26 1.75 0.58 0.52 0.00 0.00 175.17 176.77 1q82 h VAL 93 N 5.99 0.54 -0.74 1.11 2.07 -1.64 0.34 116.25 123.92 1q82 h VAL 93 Ca -0.27 -0.17 0.21 0.00 0.82 0.00 0.00 66.70 67.29 1q82 h VAL 93 Cb 1.07 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1q82 h VAL 93 CO 1.10 0.09 0.55 0.03 0.02 0.00 0.00 177.57 179.37 1q82 h ARG 94 N 0.51 0.00 -0.01 1.57 3.08 -1.92 0.37 114.38 117.99 1q82 h ARG 94 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.67 1q82 h ARG 94 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1q82 h ARG 94 CO -0.38 0.00 -0.28 -0.25 -1.07 0.00 0.00 179.97 177.98 1q82 n ASP 95 N -4.23 0.80 -0.11 7.04 8.00 0.11 -4.27 116.55 123.89 1q82 n ASP 95 Ca 0.15 -0.66 -0.18 0.00 0.71 0.00 0.00 54.79 54.81 1q82 n ASP 95 Cb 0.82 0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.97 1q82 n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1q82 n VAL 96 N -0.91 1.51 -1.73 2.53 0.31 0.12 -4.98 118.33 115.19 1q82 n VAL 96 Ca 0.11 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.95 1q82 n VAL 96 Cb 0.33 -2.15 -0.03 0.00 -0.91 0.00 0.00 33.84 31.09 1q82 n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1q82 s VAL 97 N -2.64 2.25 0.67 2.52 1.01 -0.66 -5.01 120.40 118.54 1q82 s VAL 97 Ca -0.31 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1q82 s VAL 97 Cb 0.08 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1q82 s VAL 97 CO 0.45 0.00 1.06 -1.61 0.00 0.00 0.00 175.10 175.00 1q82 s GLU 98 N 1.83 3.14 -0.12 2.72 2.02 -1.26 -3.41 118.70 123.63 1q82 s GLU 98 Ca 0.77 0.68 0.00 0.00 0.02 0.00 0.00 54.97 56.45 1q82 s GLU 98 Cb -0.48 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 31.72 1q82 s GLU 98 CO 0.34 -0.88 0.00 0.39 0.02 0.00 0.00 175.26 175.12 1q82 n GLU 99 N -2.95 -1.13 0.00 1.61 1.02 -1.26 -4.82 120.64 113.11 1q82 n GLU 99 Ca 0.07 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1q82 n GLU 99 Cb 0.55 -4.23 0.00 0.00 -0.02 0.00 0.00 31.44 27.74 1q82 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q82 n ALA 100 N 1.02 2.32 -0.06 0.62 0.00 -1.22 -3.20 120.51 119.99 1q82 n ALA 100 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 1q82 n ALA 100 Cb 0.30 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1q82 n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1q82 n ASP 101 N -0.47 1.65 -0.44 0.00 8.00 -1.26 -4.43 116.55 119.60 1q82 n ASP 101 Ca 0.00 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1q82 n ASP 101 Cb 0.01 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 1q82 n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1q82 n ASP 102 N -4.13 0.74 -4.64 -2.24 5.75 -1.24 -4.73 116.55 106.06 1q82 n ASP 102 Ca -0.15 -1.69 -0.35 0.00 -0.01 0.00 0.00 54.79 52.60 1q82 n ASP 102 Cb 0.44 -0.37 -0.10 0.00 -1.03 0.00 0.00 41.12 40.06 1q82 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1q82 s ALA 103 N -1.12 3.28 -0.01 2.12 0.00 -1.19 -4.93 121.76 119.90 1q82 s ALA 103 Ca 0.00 -0.79 0.31 0.00 0.00 0.00 0.00 51.96 51.48 1q82 s ALA 103 Cb 0.00 -1.62 1.43 0.00 0.00 0.00 0.00 23.12 22.92 1q82 s ALA 103 CO 0.00 0.41 1.93 0.22 0.00 0.00 0.00 175.76 178.32 1q82 h ASP 104 N 5.87 0.00 0.00 0.00 1.82 -1.28 -3.46 116.42 119.37 1q82 h ASP 104 Ca -0.43 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 1q82 h ASP 104 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1q82 h ASP 104 CO 0.60 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.23 1q82 n TYR 105 N -2.70 0.00 -3.42 0.28 0.18 -1.25 -5.02 117.16 105.22 1q82 n TYR 105 Ca 0.00 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.41 1q82 n TYR 105 Cb 0.20 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.09 1q82 n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1q82 s VAL 106 N -2.00 5.24 -0.07 -3.48 1.01 -1.26 -0.40 120.40 119.43 1q82 s VAL 106 Ca 0.00 0.73 0.03 0.00 0.00 0.00 0.00 61.98 62.74 1q82 s VAL 106 Cb 0.00 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1q82 s VAL 106 CO 0.00 0.33 -0.16 -0.75 0.00 0.00 0.00 175.10 174.52 1q82 s LYS 107 N 0.77 2.12 -0.16 2.72 2.20 0.14 -1.89 119.74 125.64 1q82 s LYS 107 Ca 0.20 -0.57 -0.17 0.00 -0.36 0.00 0.00 55.97 55.07 1q82 s LYS 107 Cb -0.14 -1.69 -0.04 0.00 -1.51 0.00 0.00 37.83 34.45 1q82 s LYS 107 CO 0.07 0.09 0.46 0.08 -0.36 0.00 0.00 175.35 175.69 1q82 s VAL 108 N 0.53 5.18 0.10 4.02 1.01 0.12 -2.26 120.40 129.09 1q82 s VAL 108 Ca -0.15 0.87 0.04 0.00 0.00 0.00 0.00 61.98 62.74 1q82 s VAL 108 Cb -0.16 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1q82 s VAL 108 CO 0.05 0.27 0.06 -0.76 0.00 0.00 0.00 175.10 174.72 1q82 s LEU 109 N 1.07 3.67 -1.15 3.92 1.43 0.79 -2.84 118.68 125.56 1q82 s LEU 109 Ca 0.23 -0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1q82 s LEU 109 Cb -0.15 -2.35 0.25 0.00 0.03 0.00 0.00 46.19 43.97 1q82 s LEU 109 CO 0.09 0.15 1.78 0.61 0.23 0.00 0.00 176.35 179.21 1q82 n GLY 110 N 0.30 5.30 3.44 -3.19 0.00 -1.26 -0.95 105.19 108.83 1q82 n GLY 110 Ca -0.09 -2.43 -0.34 0.00 0.00 0.00 0.00 46.02 43.17 1q82 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 s ALA 111 N -2.13 2.87 0.00 4.61 0.00 -1.26 -4.58 121.76 121.27 1q82 s ALA 111 Ca 0.38 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1q82 s ALA 111 Cb 0.11 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1q82 s ALA 111 CO 0.01 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.34 1q82 n GLY 112 N 3.64 -1.87 3.80 0.00 0.00 -1.26 -2.42 105.19 107.08 1q82 n GLY 112 Ca -0.18 -1.97 -0.24 0.00 0.00 0.00 0.00 46.02 43.64 1q82 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q82 s GLN 113 N 0.00 2.31 -0.17 1.61 -0.21 -1.26 -4.86 119.66 117.08 1q82 s GLN 113 Ca 0.00 -1.82 -0.03 0.00 0.02 0.00 0.00 55.36 53.54 1q82 s GLN 113 Cb 0.00 -2.08 0.05 0.00 1.00 0.00 0.00 33.01 31.98 1q82 s GLN 113 CO 0.00 -0.23 0.04 0.08 -2.12 0.00 0.00 175.29 173.06 1q82 s VAL 114 N -2.61 0.42 -1.06 1.09 1.01 -1.26 -4.13 120.40 113.86 1q82 s VAL 114 Ca 0.40 -0.39 0.15 0.00 0.00 0.00 0.00 61.98 62.15 1q82 s VAL 114 Cb 0.01 -0.88 0.49 0.00 0.00 0.00 0.00 36.38 35.99 1q82 s VAL 114 CO 0.23 -0.14 1.41 0.54 0.00 0.00 0.00 175.10 177.14 1q82 n ARG 115 N 5.10 3.03 -4.32 2.72 1.74 -1.26 -4.80 116.66 118.87 1q82 n ARG 115 Ca -0.08 -2.45 -0.17 0.00 -0.77 0.00 0.00 57.85 54.38 1q82 n ARG 115 Cb 0.48 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.29 1q82 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1q82 s HIS 116 N -1.42 1.54 -0.44 -1.55 3.76 -1.26 -5.10 115.29 110.82 1q82 s HIS 116 Ca 0.36 -1.07 -0.21 0.00 -0.15 0.00 0.00 55.06 53.99 1q82 s HIS 116 Cb 0.22 -0.91 0.02 0.00 1.11 0.00 0.00 32.58 33.02 1q82 s HIS 116 CO 0.20 -0.21 0.65 -1.83 -0.85 0.00 0.00 174.74 172.70 1q82 s GLU 117 N -3.96 3.30 0.01 1.40 -1.05 -1.25 -4.75 118.70 112.40 1q82 s GLU 117 Ca 0.33 -0.35 0.07 0.00 -0.15 0.00 0.00 54.97 54.88 1q82 s GLU 117 Cb 0.07 -3.95 -0.03 0.00 -0.44 0.00 0.00 34.13 29.79 1q82 s GLU 117 CO 0.11 -1.01 -0.20 -0.51 0.95 0.00 0.00 175.26 174.61 1q82 s LEU 118 N 2.84 2.49 -0.33 1.83 1.43 -1.26 -1.36 118.68 124.33 1q82 s LEU 118 Ca 0.23 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1q82 s LEU 118 Cb -0.14 -1.47 0.06 0.00 0.03 0.00 0.00 46.19 44.67 1q82 s LEU 118 CO 0.19 0.29 0.05 -0.89 0.23 0.00 0.00 176.35 176.22 1q82 s THR 119 N -0.82 3.13 -0.15 5.49 2.01 -0.15 -0.64 115.64 124.52 1q82 s THR 119 Ca 0.13 -1.49 -0.04 0.00 0.31 0.00 0.00 61.69 60.60 1q82 s THR 119 Cb -0.10 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1q82 s THR 119 CO 0.03 -0.23 -0.00 -0.76 -0.69 0.00 0.00 174.62 172.96 1q82 s LEU 120 N 1.25 3.46 -0.25 4.42 1.43 -0.72 -1.27 118.68 127.00 1q82 s LEU 120 Ca -0.02 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1q82 s LEU 120 Cb -0.20 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1q82 s LEU 120 CO -0.01 0.21 -0.07 -0.63 0.23 0.00 0.00 176.35 176.08 1q82 s ILE 121 N 0.15 2.83 0.15 -0.59 1.01 -1.04 0.66 121.20 124.36 1q82 s ILE 121 Ca 0.01 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.51 1q82 s ILE 121 Cb -0.13 -2.44 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 1q82 s ILE 121 CO 0.02 0.20 0.29 0.00 0.00 0.00 0.00 174.94 175.45 1q82 s ALA 122 N 1.32 -0.17 0.29 9.38 0.00 -0.98 -1.46 121.76 130.14 1q82 s ALA 122 Ca -0.00 -0.74 0.16 0.00 0.00 0.00 0.00 51.96 51.38 1q82 s ALA 122 Cb -0.17 0.78 0.71 0.00 0.00 0.00 0.00 23.12 24.44 1q82 s ALA 122 CO -0.05 -0.63 1.78 -0.44 0.00 0.00 0.00 175.76 176.42 1q82 h ASP 123 N 2.55 0.00 -5.01 0.00 3.32 -1.69 -2.34 116.42 113.24 1q82 h ASP 123 Ca -0.32 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.67 1q82 h ASP 123 Cb 1.23 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.61 1q82 h ASP 123 CO 0.49 0.40 0.08 -0.62 -1.72 0.00 0.00 179.24 177.87 1q82 s ASP 124 N -6.67 -0.50 0.05 6.45 2.15 -0.86 -4.02 116.67 113.27 1q82 s ASP 124 Ca -0.02 0.30 0.01 0.00 0.43 0.00 0.00 52.55 53.27 1q82 s ASP 124 Cb 0.13 0.51 -0.03 0.00 -0.30 0.00 0.00 42.92 43.23 1q82 s ASP 124 CO 0.70 -0.70 -0.05 -0.36 -0.17 0.00 0.00 175.17 174.59 1q82 s PHE 125 N -2.19 0.56 0.28 -5.34 0.40 -1.26 -0.71 117.98 109.72 1q82 s PHE 125 Ca -0.07 -0.69 0.04 0.00 -0.60 0.00 0.00 56.93 55.61 1q82 s PHE 125 Cb -0.01 -0.36 -0.03 0.00 0.51 0.00 0.00 43.02 43.13 1q82 s PHE 125 CO 0.01 -0.18 0.43 -1.54 0.70 0.00 0.00 175.22 174.63 1q82 s SER 126 N -2.05 6.29 0.13 1.36 1.04 -1.13 -4.96 113.70 114.38 1q82 s SER 126 Ca -0.05 0.18 -0.29 0.00 0.48 0.00 0.00 55.95 56.28 1q82 s SER 126 Cb -0.04 -1.89 -0.05 0.00 0.10 0.00 0.00 66.02 64.14 1q82 s SER 126 CO -0.03 -0.16 1.59 -0.33 0.98 0.00 0.00 173.24 175.29 1q82 h GLU 127 N 1.02 -0.47 -0.76 4.02 5.08 -2.00 -1.49 114.58 119.98 1q82 h GLU 127 Ca -0.51 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.03 1q82 h GLU 127 Cb 1.23 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 30.48 1q82 h GLU 127 CO 0.61 -0.32 0.28 0.78 -1.00 0.00 0.00 179.01 179.36 1q82 h GLY 128 N -0.49 1.14 0.72 -3.84 0.00 -1.95 0.86 103.07 99.50 1q82 h GLY 128 Ca 0.07 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.31 1q82 h GLY 128 CO -0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 176.54 176.02 1q82 h ALA 129 N 1.57 0.14 0.97 3.60 0.00 -1.64 -1.50 119.26 122.41 1q82 h ALA 129 Ca 0.42 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.34 1q82 h ALA 129 Cb 0.68 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1q82 h ALA 129 CO -0.44 -0.45 -0.47 0.00 0.00 0.00 0.00 179.25 177.89 1q82 h ARG 130 N 0.04 -1.26 -0.55 0.00 3.08 -0.11 -1.05 114.38 114.53 1q82 h ARG 130 Ca 0.08 0.09 0.11 0.00 0.07 0.00 0.00 59.98 60.32 1q82 h ARG 130 Cb 0.11 0.29 -0.11 0.00 0.08 0.00 0.00 29.97 30.33 1q82 h ARG 130 CO -0.15 -0.84 -0.26 0.93 -1.07 0.00 0.00 179.97 178.58 1q82 h GLU 131 N -1.31 -0.12 0.11 0.04 5.08 -0.87 -0.81 114.58 116.70 1q82 h GLU 131 Ca -0.13 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1q82 h GLU 131 Cb 1.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1q82 h GLU 131 CO 0.22 -0.08 -0.11 0.87 -1.00 0.00 0.00 179.01 178.91 1q82 h LYS 132 N -0.12 -0.23 -0.61 2.33 1.57 -1.23 0.26 116.57 118.53 1q82 h LYS 132 Ca 0.24 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 1q82 h LYS 132 Cb 0.51 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1q82 h LYS 132 CO -0.63 -0.15 0.40 0.28 -0.57 0.00 0.00 179.45 178.78 1q82 h VAL 133 N -0.24 1.03 0.08 0.50 2.07 -0.40 -2.26 116.25 117.04 1q82 h VAL 133 Ca 0.00 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.13 1q82 h VAL 133 Cb 0.23 0.33 0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1q82 h VAL 133 CO -0.03 0.12 -0.74 -0.33 0.02 0.00 0.00 177.57 176.61 1q82 h GLU 134 N 0.65 0.36 -0.76 1.57 5.08 -0.99 0.35 114.58 120.83 1q82 h GLU 134 Ca 0.26 -0.49 0.22 0.00 -1.00 0.00 0.00 59.36 58.34 1q82 h GLU 134 Cb 0.20 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1q82 h GLU 134 CO -0.07 1.19 0.72 0.78 -1.00 0.00 0.00 179.01 180.63 1q82 h GLY 135 N -0.23 0.00 -3.93 -3.84 0.00 0.09 1.01 103.07 96.17 1q82 h GLY 135 Ca -0.12 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.73 1q82 h GLY 135 CO 0.14 0.00 0.61 0.00 0.00 0.00 0.00 176.54 177.30 1q82 n ALA 136 N -2.44 5.46 -3.40 3.60 0.00 -0.96 -4.87 120.51 117.89 1q82 n ALA 136 Ca 0.16 -2.79 -0.18 0.00 0.00 0.00 0.00 53.44 50.63 1q82 n ALA 136 Cb 0.99 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 19.09 1q82 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q82 n GLY 137 N -1.03 -0.36 2.96 0.00 0.00 0.35 -3.76 105.19 103.35 1q82 n GLY 137 Ca 0.57 0.11 -0.25 0.00 0.00 0.00 0.00 46.02 46.45 1q82 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 138 N -1.41 3.59 3.10 -0.02 0.00 0.11 -4.46 105.19 106.09 1q82 n GLY 138 Ca -0.17 -2.27 -0.07 0.00 0.00 0.00 0.00 46.02 43.50 1q82 n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q82 s SER 139 N -3.26 0.45 -0.17 1.61 1.04 0.19 -4.00 113.70 109.56 1q82 s SER 139 Ca 0.05 -0.95 -0.00 0.00 0.48 0.00 0.00 55.95 55.53 1q82 s SER 139 Cb 0.00 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.37 1q82 s SER 139 CO 0.03 -0.60 -0.07 -0.69 0.98 0.00 0.00 173.24 172.89 1q82 s VAL 140 N -3.80 1.26 -0.23 5.02 1.01 -1.26 -1.75 120.40 120.65 1q82 s VAL 140 Ca 0.06 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1q82 s VAL 140 Cb 0.07 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1q82 s VAL 140 CO -0.10 0.19 0.15 -1.61 0.00 0.00 0.00 175.10 173.73 1q82 s GLU 141 N 1.57 4.10 -0.14 2.72 2.02 0.21 -4.96 118.70 124.23 1q82 s GLU 141 Ca 0.01 -0.26 -0.20 0.00 0.02 0.00 0.00 54.97 54.54 1q82 s GLU 141 Cb -0.15 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 1q82 s GLU 141 CO -0.08 0.14 0.57 -1.17 0.02 0.00 0.00 175.26 174.73 1q82 s LEU 142 N 0.84 4.24 1.17 1.80 2.96 -1.26 -2.32 118.68 126.10 1q82 s LEU 142 Ca 0.08 0.89 -0.14 0.00 -0.22 0.00 0.00 54.13 54.74 1q82 s LEU 142 Cb -0.13 -2.83 0.28 0.00 0.50 0.00 0.00 46.19 44.02 1q82 s LEU 142 CO 0.02 -0.11 1.03 -0.89 -1.32 0.00 0.00 176.35 175.08 1q82 s THR 143 N 1.10 1.94 0.25 3.68 2.01 -0.88 -4.77 115.64 118.97 1q82 s THR 143 Ca 0.29 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.24 1q82 s THR 143 Cb -0.16 -2.14 0.17 0.00 0.01 0.00 0.00 72.50 70.38 1q82 s THR 143 CO 0.12 0.00 1.81 0.44 -0.69 0.00 0.00 174.62 176.30 1q82 h ASP 144 N -2.62 0.98 -0.27 3.53 3.32 -1.97 0.24 116.42 119.64 1q82 h ASP 144 Ca -0.60 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.25 1q82 h ASP 144 Cb 1.34 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1q82 h ASP 144 CO 0.50 0.87 0.01 0.25 -1.72 0.00 0.00 179.24 179.16 1q82 h LEU 145 N 1.03 0.54 -1.25 1.55 6.46 -1.93 0.96 115.31 122.68 1q82 h LEU 145 Ca 0.24 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1q82 h LEU 145 Cb 0.21 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1q82 h LEU 145 CO -0.02 0.61 0.01 0.61 -0.62 0.00 0.00 178.44 179.03 1q82 n GLY 146 N -0.85 -0.81 1.38 3.75 0.00 0.81 -2.82 105.19 106.65 1q82 n GLY 146 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1q82 n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q82 n GLU 147 N -2.16 0.60 -2.58 1.61 1.02 0.33 -3.91 120.64 115.56 1q82 n GLU 147 Ca -0.01 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.86 1q82 n GLU 147 Cb 0.04 -1.20 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 1q82 n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1q82 n GLU 148 N 1.24 3.39 -3.59 3.49 1.02 -1.13 -4.92 120.64 120.14 1q82 n GLU 148 Ca 0.00 -4.58 -0.27 0.00 -0.02 0.00 0.00 57.16 52.29 1q82 n GLU 148 Cb 0.30 -2.25 -0.10 0.00 -0.02 0.00 0.00 31.44 29.38 1q82 n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q82 n ARG 149 N -0.43 1.88 0.00 3.49 1.74 -1.25 -5.21 116.66 116.89 1q82 n ARG 149 Ca 0.37 -4.34 0.00 0.00 -0.77 0.00 0.00 57.85 53.12 1q82 n ARG 149 Cb 0.59 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1q82 n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05