#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cd6 s SER 2 N 0.00 3.94 0.09 8.00 1.04 -1.26 -5.00 113.70 120.51 3cd6 s SER 2 Ca 0.00 0.18 -0.16 0.00 0.48 0.00 0.00 55.95 56.46 3cd6 s SER 2 Cb 0.00 -0.49 -0.08 0.00 0.10 0.00 0.00 66.02 65.55 3cd6 s SER 2 CO 0.00 -2.18 1.45 0.50 0.98 0.00 0.00 173.24 173.99 3cd6 h LYS 3 N -1.06 0.64 -0.92 4.02 3.64 -2.07 -3.05 116.57 117.76 3cd6 h LYS 3 Ca -0.42 -0.30 0.02 0.00 -1.27 0.00 0.00 60.65 58.67 3cd6 h LYS 3 Cb 1.27 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.03 3cd6 h LYS 3 CO 0.46 0.89 0.61 0.87 -2.27 0.00 0.00 179.45 180.00 3cd6 h LYS 4 N 0.38 1.18 0.00 1.90 1.57 -2.01 -2.18 116.57 117.41 3cd6 h LYS 4 Ca 0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3cd6 h LYS 4 Cb 0.72 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3cd6 h LYS 4 CO 0.05 0.78 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.47 3cd6 h LYS 5 N 1.22 0.00 -0.02 3.15 1.63 -1.93 -2.62 116.57 118.00 3cd6 h LYS 5 Ca 0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 3cd6 h LYS 5 Cb -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 3cd6 h LYS 5 CO -0.09 0.03 0.00 0.54 -3.45 0.00 0.00 179.45 176.48 3cd6 n ARG 6 N -3.16 1.92 0.20 1.90 1.74 -0.82 -4.42 116.66 114.02 3cd6 n ARG 6 Ca -0.00 -1.34 0.08 0.00 -0.77 0.00 0.00 57.85 55.82 3cd6 n ARG 6 Cb 0.27 -1.47 0.33 0.00 -1.02 0.00 0.00 32.46 30.57 3cd6 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3cd6 h GLN 7 N 3.26 0.00 -6.16 5.56 1.08 -1.45 -3.45 115.11 113.95 3cd6 h GLN 7 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 3cd6 h GLN 7 Cb 0.69 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.12 3cd6 h GLN 7 CO 0.00 0.29 1.34 1.03 -0.95 0.00 0.00 178.83 180.54 3cd6 s ARG 8 N -3.47 3.51 0.00 1.46 1.81 -1.26 -1.14 118.95 119.86 3cd6 s ARG 8 Ca 0.02 2.04 0.00 0.00 -1.72 0.00 0.00 55.73 56.06 3cd6 s ARG 8 Cb 0.09 -4.24 0.00 0.00 -0.45 0.00 0.00 34.95 30.35 3cd6 s ARG 8 CO 0.67 -1.66 0.00 0.41 -0.68 0.00 0.00 175.30 174.04 3cd6 n GLY 9 N 5.24 0.98 0.05 -3.53 0.00 -1.26 -4.96 105.19 101.70 3cd6 n GLY 9 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 3cd6 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cd6 n SER 10 N 0.00 0.40 0.00 1.61 3.41 -0.29 -4.95 113.62 113.80 3cd6 n SER 10 Ca 0.00 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3cd6 n SER 10 Cb 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 3cd6 n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3cd6 n ARG 11 N -1.85 0.00 0.00 4.33 0.63 -1.26 -4.11 116.66 114.40 3cd6 n ARG 11 Ca 0.06 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.14 3cd6 n ARG 11 Cb 0.38 0.00 0.69 0.00 0.45 0.00 0.00 32.46 33.99 3cd6 n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3cd6 n THR 12 N 0.00 0.00 -2.97 5.15 -2.24 -1.26 -4.94 114.28 108.01 3cd6 n THR 12 Ca 0.00 -0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.59 3cd6 n THR 12 Cb 0.00 -0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 67.87 3cd6 n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3cd6 n HIS 13 N -1.21 -1.67 -0.30 4.78 8.25 -1.26 -0.99 115.22 122.83 3cd6 n HIS 13 Ca 0.14 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 3cd6 n HIS 13 Cb 0.26 -2.77 0.00 0.00 1.12 0.00 0.00 29.99 28.60 3cd6 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cd6 n GLY 14 N -1.00 0.99 0.00 -1.41 0.00 -1.26 -4.95 105.19 97.56 3cd6 n GLY 14 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3cd6 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd6 n GLY 15 N -2.00 -1.18 2.63 -0.02 0.00 -0.16 -5.02 105.19 99.45 3cd6 n GLY 15 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3cd6 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd6 n GLY 16 N 0.96 0.91 3.77 -0.02 0.00 -1.26 -4.72 105.19 104.83 3cd6 n GLY 16 Ca 0.12 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 3cd6 n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cd6 s SER 17 N -4.00 5.62 0.00 1.61 0.15 -1.26 -4.80 113.70 111.02 3cd6 s SER 17 Ca 0.00 2.22 0.19 0.00 0.70 0.00 0.00 55.95 59.06 3cd6 s SER 17 Cb 0.00 -2.58 0.95 0.00 -1.71 0.00 0.00 66.02 62.68 3cd6 s SER 17 CO 0.00 -1.29 1.56 0.00 1.20 0.00 0.00 173.24 174.71 3cd6 n HIS 18 N -1.35 0.00 1.38 3.44 -0.00 -1.26 -1.93 115.22 115.51 3cd6 n HIS 18 Ca 0.12 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.98 3cd6 n HIS 18 Cb 0.51 -0.26 0.46 0.00 -0.00 0.00 0.00 29.99 30.69 3cd6 n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3cd6 n LYS 19 N -1.26 1.30 0.00 -1.40 5.02 -1.26 -4.58 118.16 115.98 3cd6 n LYS 19 Ca 0.09 -0.76 -0.00 0.00 -2.02 0.00 0.00 58.31 55.62 3cd6 n LYS 19 Cb 0.14 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3cd6 n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3cd6 h ASN 20 N 1.86 -0.02 -0.07 4.39 2.35 -1.69 -3.42 115.58 118.98 3cd6 h ASN 20 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 3cd6 h ASN 20 Cb 0.51 0.01 0.03 0.00 0.05 0.00 0.00 38.32 38.91 3cd6 h ASN 20 CO 0.00 0.09 2.22 0.54 -1.65 0.00 0.00 177.43 178.62 3cd6 n ARG 21 N -2.67 1.62 0.00 0.81 1.74 -1.26 -4.76 116.66 112.14 3cd6 n ARG 21 Ca -0.00 -1.98 0.00 0.00 -0.77 0.00 0.00 57.85 55.09 3cd6 n ARG 21 Cb 0.01 -3.04 0.00 0.00 -1.02 0.00 0.00 32.46 28.41 3cd6 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3cd6 n ARG 22 N 7.11 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 124.66 3cd6 n ARG 22 Ca 0.49 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3cd6 n ARG 22 Cb 0.41 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.85 3cd6 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cd6 n GLY 23 N 5.00 1.49 0.12 -0.13 0.00 -1.26 -4.93 105.19 105.47 3cd6 n GLY 23 Ca 0.00 -1.72 0.11 0.00 0.00 0.00 0.00 46.02 44.41 3cd6 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd6 n ALA 24 N -3.00 1.50 0.21 4.61 0.00 -1.26 -2.72 120.51 119.85 3cd6 n ALA 24 Ca 0.00 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.61 3cd6 n ALA 24 Cb 0.00 -1.34 0.45 0.00 0.00 0.00 0.00 19.45 18.56 3cd6 n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3cd6 h GLY 25 N 1.71 0.00 2.00 0.00 0.00 -1.93 0.14 103.07 105.00 3cd6 h GLY 25 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3cd6 h GLY 25 CO 0.00 0.00 -0.05 0.84 0.00 0.00 0.00 176.54 177.33 3cd6 h HIS 26 N 0.00 0.00 0.00 5.60 6.17 -1.81 -2.49 115.15 122.62 3cd6 h HIS 26 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3cd6 h HIS 26 Cb 0.71 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.64 3cd6 h HIS 26 CO 0.00 0.05 -1.01 0.54 0.71 0.00 0.00 177.93 178.23 3cd6 n ARG 27 N -3.14 0.18 -1.73 5.26 1.74 -0.83 -4.98 116.66 113.15 3cd6 n ARG 27 Ca 0.02 -0.01 -0.02 0.00 -0.77 0.00 0.00 57.85 57.07 3cd6 n ARG 27 Cb 0.41 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3cd6 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cd6 n GLY 28 N 1.48 0.37 0.00 -0.13 0.00 -0.41 -4.88 105.19 101.61 3cd6 n GLY 28 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3cd6 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd6 n GLY 29 N -1.55 2.89 3.71 -0.02 0.00 0.37 -4.68 105.19 105.91 3cd6 n GLY 29 Ca -0.03 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 3cd6 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cd6 s ARG 30 N -2.31 4.35 7.52 1.61 0.52 -1.26 -4.76 118.95 124.62 3cd6 s ARG 30 Ca 0.00 0.61 0.00 0.00 -0.52 0.00 0.00 55.73 55.82 3cd6 s ARG 30 Cb 0.00 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 32.01 3cd6 s ARG 30 CO 0.00 0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.79 3cd6 n GLY 31 N 3.31 2.84 0.62 -3.53 0.00 -1.26 -2.55 105.19 104.62 3cd6 n GLY 31 Ca -0.04 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.77 3cd6 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cd6 n ASP 32 N 6.70 1.63 -4.71 1.61 8.00 -1.26 -4.96 116.55 123.55 3cd6 n ASP 32 Ca 0.00 -2.13 -0.43 0.00 0.71 0.00 0.00 54.79 52.94 3cd6 n ASP 32 Cb 0.00 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.70 3cd6 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cd6 n ALA 33 N 0.08 2.00 -1.21 2.24 0.00 -1.06 -2.83 120.51 119.74 3cd6 n ALA 33 Ca 0.06 0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.87 3cd6 n ALA 33 Cb 0.34 -2.39 -0.01 0.00 0.00 0.00 0.00 19.45 17.39 3cd6 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cd6 n GLY 34 N 2.32 0.52 0.00 0.00 0.00 -1.26 -4.77 105.19 102.00 3cd6 n GLY 34 Ca 0.10 -0.95 0.02 0.00 0.00 0.00 0.00 46.02 45.20 3cd6 n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cd6 n ARG 35 N -2.69 0.02 -0.02 1.61 -4.01 -1.13 -1.42 116.66 109.03 3cd6 n ARG 35 Ca -0.02 0.36 -0.02 0.00 -1.04 0.00 0.00 57.85 57.12 3cd6 n ARG 35 Cb 0.14 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 28.03 3cd6 n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 3cd6 n ASP 36 N -1.42 4.04 0.00 2.89 5.75 -1.26 -4.02 116.55 122.53 3cd6 n ASP 36 Ca 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 3cd6 n ASP 36 Cb 0.05 0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 3cd6 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3cd6 n LYS 37 N -2.19 0.00 0.22 0.11 4.76 -0.87 -4.54 118.16 115.65 3cd6 n LYS 37 Ca -0.06 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.49 3cd6 n LYS 37 Cb 0.62 0.00 0.31 0.00 -1.84 0.00 0.00 35.03 34.12 3cd6 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 3cd6 h HIS 38 N 0.00 0.00 -0.53 2.13 2.07 -1.93 -3.31 115.15 113.58 3cd6 h HIS 38 Ca 0.00 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.14 3cd6 h HIS 38 Cb 0.00 0.00 -0.28 0.00 2.57 0.00 0.00 27.41 29.70 3cd6 h HIS 38 CO 0.00 0.12 -0.57 0.39 -3.07 0.00 0.00 177.93 174.80 3cd6 n GLU 39 N -3.16 2.86 0.28 5.12 1.02 -0.51 -4.80 120.64 121.44 3cd6 n GLU 39 Ca 0.02 -3.80 0.14 0.00 -0.02 0.00 0.00 57.16 53.51 3cd6 n GLU 39 Cb 0.50 -2.06 0.81 0.00 -0.02 0.00 0.00 31.44 30.66 3cd6 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3cd6 h PHE 40 N 1.75 0.00 -2.88 -0.32 -5.15 -1.66 -3.42 116.94 105.26 3cd6 h PHE 40 Ca 0.27 0.00 -0.56 0.00 -0.20 0.00 0.00 57.97 57.48 3cd6 h PHE 40 Cb 1.37 0.00 0.08 0.00 0.22 0.00 0.00 35.95 37.62 3cd6 h PHE 40 CO 0.88 0.08 0.71 0.72 -2.00 0.00 0.00 178.31 178.70 3cd6 n HIS 41 N -3.59 2.41 -3.79 6.09 -0.00 -1.26 -3.11 115.22 111.98 3cd6 n HIS 41 Ca -0.02 0.36 -0.28 0.00 -0.00 0.00 0.00 57.72 57.79 3cd6 n HIS 41 Cb 0.20 -2.51 0.05 0.00 -0.00 0.00 0.00 29.99 27.73 3cd6 n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3cd6 n ASN 42 N 2.19 -5.44 -4.15 0.41 4.13 -1.26 -5.01 115.26 106.13 3cd6 n ASN 42 Ca 0.11 -0.69 -0.26 0.00 1.68 0.00 0.00 54.58 55.42 3cd6 n ASN 42 Cb 0.33 -4.34 -0.16 0.00 -1.54 0.00 0.00 39.78 34.08 3cd6 n ASN 42 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3cd6 s HIS 43 N -3.31 1.66 0.19 3.10 3.76 -1.18 -5.12 115.29 114.39 3cd6 s HIS 43 Ca 0.64 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.84 3cd6 s HIS 43 Cb -0.30 -1.10 -0.09 0.00 1.11 0.00 0.00 32.58 32.20 3cd6 s HIS 43 CO 0.79 -0.10 1.35 -1.21 -0.85 0.00 0.00 174.74 174.73 3cd6 s GLU 44 N -0.18 4.35 0.74 1.40 2.02 -1.26 -4.97 118.70 120.80 3cd6 s GLU 44 Ca 0.01 2.11 -0.16 0.00 0.02 0.00 0.00 54.97 56.95 3cd6 s GLU 44 Cb -0.09 -3.19 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 3cd6 s GLU 44 CO 0.01 -0.33 0.57 -0.35 0.02 0.00 0.00 175.26 175.18 3cd6 n PRO 45 N 2.90 0.27 -2.31 0.39 -0.04 -1.26 -4.98 135.00 129.97 3cd6 n PRO 45 Ca 0.08 0.14 -0.36 0.00 -0.04 0.00 0.00 63.50 63.31 3cd6 n PRO 45 Cb 0.42 -1.87 -0.01 0.00 -0.04 0.00 0.00 33.50 32.00 3cd6 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3cd6 s LEU 46 N -0.60 3.89 0.00 1.53 1.43 -1.26 -4.97 118.68 118.69 3cd6 s LEU 46 Ca 0.66 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 3cd6 s LEU 46 Cb -0.34 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.46 3cd6 s LEU 46 CO 0.58 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.76 3cd6 n GLY 47 N 0.24 3.07 3.88 -3.19 0.00 -1.26 -5.09 105.19 102.84 3cd6 n GLY 47 Ca 0.09 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 3cd6 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cd6 s LYS 48 N -2.58 3.66 -0.04 1.61 1.02 -1.26 -5.10 119.74 117.04 3cd6 s LYS 48 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.00 3cd6 s LYS 48 Cb 0.00 -2.97 0.03 0.00 -0.52 0.00 0.00 37.83 34.37 3cd6 s LYS 48 CO 0.00 0.55 -0.01 0.45 -0.92 0.00 0.00 175.35 175.43 3cd6 s SER 49 N -1.98 0.86 0.87 2.83 0.15 -1.26 -5.13 113.70 110.05 3cd6 s SER 49 Ca 0.34 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.93 3cd6 s SER 49 Cb -0.13 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 3cd6 s SER 49 CO 0.20 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.13 3cd6 n GLY 50 N 4.40 0.68 3.18 9.45 0.00 -1.26 -4.98 105.19 116.67 3cd6 n GLY 50 Ca -0.20 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 3cd6 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cd6 s PHE 51 N 0.00 0.49 -0.05 1.61 -0.12 -1.26 -5.16 117.98 113.49 3cd6 s PHE 51 Ca 0.00 -0.93 0.06 0.00 -0.05 0.00 0.00 56.93 56.01 3cd6 s PHE 51 Cb 0.00 -0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 42.11 3cd6 s PHE 51 CO 0.00 -0.52 -0.22 0.15 -0.05 0.00 0.00 175.22 174.57 3cd6 s LYS 52 N -3.95 2.21 0.27 1.99 1.02 -1.26 -5.13 119.74 114.90 3cd6 s LYS 52 Ca 0.13 -0.80 -0.20 0.00 0.02 0.00 0.00 55.97 55.11 3cd6 s LYS 52 Cb 0.06 -1.92 -0.09 0.00 -0.52 0.00 0.00 37.83 35.36 3cd6 s LYS 52 CO -0.05 0.36 0.78 1.03 -0.92 0.00 0.00 175.35 176.55 3cd6 s ARG 53 N -0.17 4.27 0.28 1.68 0.52 -1.26 -5.01 118.95 119.27 3cd6 s ARG 53 Ca -0.02 0.94 -0.30 0.00 -0.52 0.00 0.00 55.73 55.84 3cd6 s ARG 53 Cb -0.12 -2.74 -0.13 0.00 0.52 0.00 0.00 34.95 32.48 3cd6 s ARG 53 CO 0.02 0.30 1.45 -0.35 0.02 0.00 0.00 175.30 176.75 3cd6 n PRO 54 N 0.42 2.30 -0.40 3.54 -0.04 -1.26 -4.88 135.00 134.67 3cd6 n PRO 54 Ca 0.00 0.82 0.39 0.00 -0.04 0.00 0.00 63.50 64.66 3cd6 n PRO 54 Cb 0.51 -2.50 0.76 0.00 -0.04 0.00 0.00 33.50 32.23 3cd6 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3cd6 h GLN 55 N 4.07 0.01 -0.02 0.54 4.20 -1.96 -0.96 115.11 120.99 3cd6 h GLN 55 Ca -0.46 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3cd6 h GLN 55 Cb 1.26 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3cd6 h GLN 55 CO 0.74 0.00 -0.06 0.36 -0.67 0.00 0.00 178.83 179.21 3cd6 n LYS 56 N -4.14 1.56 -0.08 1.46 2.85 -1.26 -3.57 118.16 114.98 3cd6 n LYS 56 Ca 0.29 -0.97 0.07 0.00 -1.05 0.00 0.00 58.31 56.65 3cd6 n LYS 56 Cb 1.40 -1.48 0.10 0.00 -0.65 0.00 0.00 35.03 34.40 3cd6 n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3cd6 n VAL 57 N 0.13 0.35 -3.54 0.58 0.31 -0.37 -4.96 118.33 110.82 3cd6 n VAL 57 Ca 0.17 -0.67 -0.37 0.00 -0.01 0.00 0.00 64.34 63.46 3cd6 n VAL 57 Cb 0.38 1.02 -0.07 0.00 -0.91 0.00 0.00 33.84 34.26 3cd6 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3cd6 s GLN 58 N -1.10 4.16 -0.14 5.55 -0.21 -1.20 -5.00 119.66 121.72 3cd6 s GLN 58 Ca 0.21 0.14 -0.07 0.00 0.02 0.00 0.00 55.36 55.65 3cd6 s GLN 58 Cb 0.13 -3.38 -0.04 0.00 1.00 0.00 0.00 33.01 30.71 3cd6 s GLN 58 CO 0.18 0.33 0.13 -1.21 -2.12 0.00 0.00 175.29 172.59 3cd6 s GLU 59 N 0.19 3.59 -0.24 2.91 2.02 -1.26 -5.05 118.70 120.85 3cd6 s GLU 59 Ca 0.18 -0.17 0.02 0.00 0.02 0.00 0.00 54.97 55.01 3cd6 s GLU 59 Cb -0.13 -3.22 0.05 0.00 0.10 0.00 0.00 34.13 30.92 3cd6 s GLU 59 CO 0.05 0.66 -0.11 -2.00 0.02 0.00 0.00 175.26 173.88 3cd6 s GLU 60 N -0.68 2.50 0.20 1.61 2.12 -1.26 -5.03 118.70 118.16 3cd6 s GLU 60 Ca 0.13 -1.18 -0.18 0.00 0.36 0.00 0.00 54.97 54.10 3cd6 s GLU 60 Cb -0.12 -2.86 -0.08 0.00 0.26 0.00 0.00 34.13 31.33 3cd6 s GLU 60 CO 0.02 -0.48 0.67 0.00 -0.54 0.00 0.00 175.26 174.94 3cd6 s ALA 61 N 1.18 3.47 -0.42 6.30 0.00 -1.26 -0.86 121.76 130.16 3cd6 s ALA 61 Ca -0.04 0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 3cd6 s ALA 61 Cb -0.18 -2.72 0.02 0.00 0.00 0.00 0.00 23.12 20.24 3cd6 s ALA 61 CO -0.06 0.37 0.43 0.00 0.00 0.00 0.00 175.76 176.49 3cd6 s ALA 62 N -1.51 3.43 0.06 0.00 0.00 0.32 -4.96 121.76 119.11 3cd6 s ALA 62 Ca 0.41 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3cd6 s ALA 62 Cb -0.16 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 3cd6 s ALA 62 CO 0.20 -1.60 0.20 0.95 0.00 0.00 0.00 175.76 175.52 3cd6 s THR 63 N 2.09 5.32 -0.21 0.00 -4.23 -1.26 -0.53 115.64 116.82 3cd6 s THR 63 Ca 0.11 -0.43 -0.17 0.00 -1.18 0.00 0.00 61.69 60.02 3cd6 s THR 63 Cb -0.18 -3.60 0.06 0.00 1.34 0.00 0.00 72.50 70.12 3cd6 s THR 63 CO 0.13 0.13 0.54 -0.51 -0.54 0.00 0.00 174.62 174.37 3cd6 s ILE 64 N -1.51 -0.00 0.32 2.99 2.07 -0.96 -4.98 121.20 119.13 3cd6 s ILE 64 Ca 0.35 0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.52 3cd6 s ILE 64 Cb -0.13 -0.77 -0.06 0.00 0.13 0.00 0.00 42.46 41.64 3cd6 s ILE 64 CO 0.28 0.01 0.63 -1.81 -1.91 0.00 0.00 174.94 172.13 3cd6 s ASP 65 N 0.60 6.52 0.53 4.50 1.01 -1.26 0.47 116.67 129.04 3cd6 s ASP 65 Ca -0.02 0.91 0.20 0.00 0.71 0.00 0.00 52.55 54.35 3cd6 s ASP 65 Cb -0.05 -2.23 1.40 0.00 1.01 0.00 0.00 42.92 43.05 3cd6 s ASP 65 CO -0.03 -0.24 2.15 -0.37 0.21 0.00 0.00 175.17 176.88 3cd6 h VAL 66 N 1.40 0.86 -0.83 -1.27 -1.51 -1.43 -2.23 116.25 111.24 3cd6 h VAL 66 Ca -0.47 -0.14 -0.02 0.00 -1.23 0.00 0.00 66.70 64.84 3cd6 h VAL 66 Cb 1.18 1.08 -0.04 0.00 -2.13 0.00 0.00 31.29 31.39 3cd6 h VAL 66 CO 0.66 0.04 0.45 -0.09 -1.23 0.00 0.00 177.57 177.39 3cd6 h ARG 67 N 0.00 1.15 -0.19 5.19 2.43 -1.76 -0.05 114.38 121.14 3cd6 h ARG 67 Ca -0.00 -0.13 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 3cd6 h ARG 67 Cb 0.08 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3cd6 h ARG 67 CO 0.01 0.85 -0.46 1.49 -1.51 0.00 0.00 179.97 180.34 3cd6 h GLU 68 N 1.16 0.48 0.01 0.20 4.81 -1.72 -1.54 114.58 117.98 3cd6 h GLU 68 Ca 0.29 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3cd6 h GLU 68 Cb 0.03 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3cd6 h GLU 68 CO -0.05 0.84 -0.01 0.82 -0.73 0.00 0.00 179.01 179.89 3cd6 h ILE 69 N 0.39 1.48 -0.54 2.32 2.04 -1.47 -3.24 117.51 118.49 3cd6 h ILE 69 Ca 0.03 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 3cd6 h ILE 69 Cb 0.95 2.51 -0.03 0.00 -0.74 0.00 0.00 36.82 39.52 3cd6 h ILE 69 CO 0.08 0.39 0.20 -0.78 0.00 0.00 0.00 178.15 178.05 3cd6 h ASP 70 N -0.69 0.71 1.31 1.72 3.58 -1.00 -2.45 116.42 119.60 3cd6 h ASP 70 Ca -0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 3cd6 h ASP 70 Cb 0.66 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.52 3cd6 h ASP 70 CO 0.00 0.66 0.00 -0.33 -2.88 0.00 0.00 179.24 176.69 3cd6 h GLU 71 N 0.77 0.00 -0.27 0.28 5.08 -1.39 -3.26 114.58 115.79 3cd6 h GLU 71 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3cd6 h GLU 71 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3cd6 h GLU 71 CO -0.01 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.09 3cd6 n ASN 72 N -3.01 3.32 -0.24 1.42 3.02 -0.95 -4.77 115.26 114.05 3cd6 n ASN 72 Ca 0.02 -2.53 -0.01 0.00 -0.03 0.00 0.00 54.58 52.03 3cd6 n ASN 72 Cb 0.37 -0.38 0.21 0.00 -0.61 0.00 0.00 39.78 39.37 3cd6 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3cd6 h VAL 73 N 1.74 1.21 -0.00 2.41 -1.51 -1.54 -0.23 116.25 118.33 3cd6 h VAL 73 Ca 0.00 -0.44 -0.17 0.00 -1.23 0.00 0.00 66.70 64.86 3cd6 h VAL 73 Cb 1.07 0.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.30 3cd6 h VAL 73 CO 0.11 0.22 -0.79 0.71 -1.23 0.00 0.00 177.57 176.58 3cd6 h THR 74 N 1.07 1.53 0.00 7.19 1.35 -1.88 -3.04 112.91 119.14 3cd6 h THR 74 Ca 0.28 -2.62 -0.04 0.00 -0.55 0.00 0.00 66.41 63.49 3cd6 h THR 74 Cb -0.07 2.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 3cd6 h THR 74 CO -0.06 0.75 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.71 3cd6 h LEU 75 N 0.04 0.00 -5.78 3.87 3.38 -1.81 -3.31 115.31 111.69 3cd6 h LEU 75 Ca -0.02 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.19 3cd6 h LEU 75 Cb 1.40 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.92 3cd6 h LEU 75 CO 0.11 0.18 1.34 0.18 0.09 0.00 0.00 178.44 180.34 3cd6 n LEU 76 N -3.16 7.50 0.13 1.67 4.77 -0.13 -4.62 117.00 123.15 3cd6 n LEU 76 Ca 0.03 -5.08 0.13 0.00 -0.03 0.00 0.00 56.01 51.05 3cd6 n LEU 76 Cb 0.57 -1.21 0.35 0.00 -2.33 0.00 0.00 43.42 40.81 3cd6 n LEU 76 CO 0.36 1.99 0.86 0.00 -1.33 0.00 0.00 177.39 179.26 3cd6 h ALA 77 N 4.03 0.99 0.00 -1.18 0.00 -1.72 -3.19 119.26 118.19 3cd6 h ALA 77 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3cd6 h ALA 77 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3cd6 h ALA 77 CO 1.27 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.52 3cd6 n ALA 78 N -1.85 2.08 -2.57 0.00 0.00 -1.26 -4.72 120.51 112.19 3cd6 n ALA 78 Ca 0.05 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 3cd6 n ALA 78 Cb 0.45 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 3cd6 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cd6 s ASP 79 N -3.05 4.54 0.00 0.00 1.01 -1.21 -5.08 116.67 112.89 3cd6 s ASP 79 Ca 0.11 -0.11 -0.18 0.00 0.71 0.00 0.00 52.55 53.08 3cd6 s ASP 79 Cb 0.15 -1.07 -0.09 0.00 1.01 0.00 0.00 42.92 42.92 3cd6 s ASP 79 CO 0.43 0.32 0.48 0.47 0.21 0.00 0.00 175.17 177.08 3cd6 n ASP 80 N 1.88 -0.03 -4.18 0.27 9.92 -1.24 -4.93 116.55 118.24 3cd6 n ASP 80 Ca -0.17 0.53 -0.39 0.00 -0.53 0.00 0.00 54.79 54.23 3cd6 n ASP 80 Cb 0.53 -0.42 -0.09 0.00 -0.64 0.00 0.00 41.12 40.49 3cd6 n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3cd6 s VAL 81 N -0.02 3.96 0.00 2.53 1.01 -1.26 -2.76 120.40 123.85 3cd6 s VAL 81 Ca 0.41 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.39 3cd6 s VAL 81 Cb -0.57 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3cd6 s VAL 81 CO 0.26 -0.77 0.00 0.00 0.00 0.00 0.00 175.10 174.59 3cd6 n ALA 82 N 4.66 0.00 0.00 5.51 0.00 -1.26 -4.94 120.51 124.48 3cd6 n ALA 82 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3cd6 n ALA 82 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3cd6 n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3cd6 n GLU 83 N -0.20 0.00 -3.83 0.00 0.28 -1.26 -4.93 120.64 110.70 3cd6 n GLU 83 Ca 0.00 0.37 -0.37 0.00 -0.16 0.00 0.00 57.16 57.00 3cd6 n GLU 83 Cb 0.00 -1.55 -0.06 0.00 1.43 0.00 0.00 31.44 31.26 3cd6 n GLU 83 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3cd6 s PHE 89 N -2.73 3.58 -0.23 -1.84 0.40 0.79 -5.13 117.98 112.83 3cd6 s PHE 89 Ca 0.00 0.54 -0.05 0.00 -0.60 0.00 0.00 56.93 56.82 3cd6 s PHE 89 Cb 0.00 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 3cd6 s PHE 89 CO 0.00 0.67 -0.01 0.50 0.70 0.00 0.00 175.22 177.08 3cd6 s ARG 90 N -0.83 3.42 -0.03 0.44 3.52 -1.11 -1.01 118.95 123.34 3cd6 s ARG 90 Ca 0.15 -0.61 -0.00 0.00 -0.13 0.00 0.00 55.73 55.13 3cd6 s ARG 90 Cb -0.12 -3.11 0.03 0.00 -1.56 0.00 0.00 34.95 30.19 3cd6 s ARG 90 CO 0.04 -0.21 0.03 0.54 -0.81 0.00 0.00 175.30 174.88 3cd6 s VAL 91 N 1.51 0.02 -0.52 7.11 0.11 -0.80 -3.70 120.40 124.13 3cd6 s VAL 91 Ca 0.06 0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 59.09 3cd6 s VAL 91 Cb -0.15 -0.18 0.04 0.00 -1.53 0.00 0.00 36.38 34.56 3cd6 s VAL 91 CO -0.01 0.14 0.90 -0.62 -3.33 0.00 0.00 175.10 172.18 3cd6 s ASP 92 N 1.39 6.37 0.60 3.54 2.15 -1.26 -2.62 116.67 126.82 3cd6 s ASP 92 Ca -0.05 -0.28 0.29 0.00 0.43 0.00 0.00 52.55 52.94 3cd6 s ASP 92 Cb -0.13 -2.42 1.62 0.00 -0.30 0.00 0.00 42.92 41.68 3cd6 s ASP 92 CO -0.03 -1.14 2.02 0.58 -0.17 0.00 0.00 175.17 176.43 3cd6 h VAL 93 N 6.02 0.37 0.00 1.11 2.07 -1.78 -2.22 116.25 121.82 3cd6 h VAL 93 Ca -0.26 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3cd6 h VAL 93 Cb 1.08 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3cd6 h VAL 93 CO 1.06 0.00 -0.01 0.03 0.02 0.00 0.00 177.57 178.67 3cd6 h ARG 94 N 0.00 0.00 -0.03 1.57 3.08 -1.92 -1.54 114.38 115.55 3cd6 h ARG 94 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3cd6 h ARG 94 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3cd6 h ARG 94 CO -0.00 0.01 -0.04 -0.25 -1.07 0.00 0.00 179.97 178.61 3cd6 n ASP 95 N -3.13 2.75 -0.12 7.04 8.00 -0.83 -4.47 116.55 125.79 3cd6 n ASP 95 Ca -0.02 -1.88 -0.22 0.00 0.71 0.00 0.00 54.79 53.39 3cd6 n ASP 95 Cb 0.16 0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 41.21 3cd6 n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3cd6 n VAL 96 N 1.12 1.37 -2.47 2.53 0.31 -0.61 -4.99 118.33 115.59 3cd6 n VAL 96 Ca 0.12 -0.44 -0.41 0.00 -0.01 0.00 0.00 64.34 63.61 3cd6 n VAL 96 Cb 0.54 -1.59 -0.04 0.00 -0.91 0.00 0.00 33.84 31.84 3cd6 n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3cd6 s VAL 97 N -2.47 3.80 0.75 2.52 1.01 -1.00 -5.05 120.40 119.96 3cd6 s VAL 97 Ca -0.34 1.52 -0.09 0.00 0.00 0.00 0.00 61.98 63.07 3cd6 s VAL 97 Cb 0.11 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.59 3cd6 s VAL 97 CO 0.50 0.24 1.09 -1.61 0.00 0.00 0.00 175.10 175.32 3cd6 s GLU 98 N -0.20 2.12 -1.12 2.72 2.02 -1.26 -4.06 118.70 118.91 3cd6 s GLU 98 Ca 0.51 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.45 3cd6 s GLU 98 Cb -0.30 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 31.87 3cd6 s GLU 98 CO 0.35 -1.39 0.00 0.39 0.02 0.00 0.00 175.26 174.62 3cd6 n GLU 99 N -3.11 -1.60 0.00 1.61 1.02 -1.26 -4.86 120.64 112.43 3cd6 n GLU 99 Ca 0.08 0.86 0.13 0.00 -0.02 0.00 0.00 57.16 58.21 3cd6 n GLU 99 Cb 0.61 -5.22 0.66 0.00 -0.02 0.00 0.00 31.44 27.46 3cd6 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cd6 n ALA 100 N 1.20 2.33 -0.06 0.62 0.00 -1.26 -3.28 120.51 120.06 3cd6 n ALA 100 Ca -0.11 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 3cd6 n ALA 100 Cb 0.56 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 3cd6 n ALA 100 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3cd6 h ASP 101 N 0.00 -0.01 -0.31 0.00 3.32 -1.91 -3.34 116.42 114.16 3cd6 h ASP 101 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.24 3cd6 h ASP 101 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3cd6 h ASP 101 CO 0.00 0.87 0.00 -0.90 -1.72 0.00 0.00 179.24 177.49 3cd6 n ASP 102 N -4.66 1.90 -4.89 6.45 5.75 -1.25 -4.90 116.55 114.95 3cd6 n ASP 102 Ca -0.09 -1.92 -0.33 0.00 -0.01 0.00 0.00 54.79 52.45 3cd6 n ASP 102 Cb 0.39 -0.21 -0.05 0.00 -1.03 0.00 0.00 41.12 40.23 3cd6 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cd6 s ALA 103 N -1.58 3.80 0.13 2.12 0.00 -1.20 -4.98 121.76 120.05 3cd6 s ALA 103 Ca 0.27 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 3cd6 s ALA 103 Cb 0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3cd6 s ALA 103 CO 0.19 0.65 1.48 0.22 0.00 0.00 0.00 175.76 178.31 3cd6 h ASP 104 N 3.30 0.94 -5.01 0.00 1.82 -1.34 -3.48 116.42 112.65 3cd6 h ASP 104 Ca -0.47 -0.44 0.06 0.00 -0.39 0.00 0.00 57.03 55.78 3cd6 h ASP 104 Cb 1.18 -0.26 -0.07 0.00 0.68 0.00 0.00 39.33 40.86 3cd6 h ASP 104 CO 0.70 1.18 0.24 -0.72 -1.61 0.00 0.00 179.24 179.03 3cd6 s TYR 105 N -4.48 -0.26 -0.22 0.28 -0.85 -1.25 -5.04 117.35 105.52 3cd6 s TYR 105 Ca -0.12 -0.14 -0.04 0.00 -0.52 0.00 0.00 57.07 56.25 3cd6 s TYR 105 Cb 0.11 0.67 -0.01 0.00 0.38 0.00 0.00 41.96 43.11 3cd6 s TYR 105 CO 0.86 -1.14 -0.03 0.08 -1.52 0.00 0.00 175.55 173.81 3cd6 s VAL 106 N -3.85 3.55 -0.11 -3.49 1.01 -1.26 -0.52 120.40 115.72 3cd6 s VAL 106 Ca 0.09 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3cd6 s VAL 106 Cb -0.05 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3cd6 s VAL 106 CO 0.03 0.42 -0.17 -0.75 0.00 0.00 0.00 175.10 174.62 3cd6 s LYS 107 N 1.41 3.15 -0.26 2.72 2.20 0.31 -1.86 119.74 127.41 3cd6 s LYS 107 Ca 0.05 -0.75 -0.10 0.00 -0.36 0.00 0.00 55.97 54.81 3cd6 s LYS 107 Cb -0.14 -2.49 -0.05 0.00 -1.51 0.00 0.00 37.83 33.64 3cd6 s LYS 107 CO -0.02 0.26 0.17 0.08 -0.36 0.00 0.00 175.35 175.48 3cd6 s VAL 108 N 0.19 5.26 0.24 4.02 1.01 -0.42 -2.25 120.40 128.45 3cd6 s VAL 108 Ca -0.10 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3cd6 s VAL 108 Cb -0.16 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3cd6 s VAL 108 CO 0.06 0.30 0.40 -0.76 0.00 0.00 0.00 175.10 175.10 3cd6 s LEU 109 N 1.41 4.23 -0.93 3.92 1.43 0.18 -2.89 118.68 126.03 3cd6 s LEU 109 Ca 0.07 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 3cd6 s LEU 109 Cb -0.15 -3.05 0.25 0.00 0.03 0.00 0.00 46.19 43.28 3cd6 s LEU 109 CO 0.08 -0.10 0.97 0.61 0.23 0.00 0.00 176.35 178.14 3cd6 n GLY 110 N -1.19 4.48 3.13 -3.19 0.00 -1.26 -1.50 105.19 105.65 3cd6 n GLY 110 Ca -0.07 -2.64 -0.32 0.00 0.00 0.00 0.00 46.02 42.99 3cd6 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd6 s ALA 111 N -1.87 2.18 0.00 4.61 0.00 -1.26 -4.67 121.76 120.75 3cd6 s ALA 111 Ca 0.31 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3cd6 s ALA 111 Cb -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.08 3cd6 s ALA 111 CO -0.05 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3cd6 n GLY 112 N 4.29 -1.32 3.93 0.00 0.00 -1.26 -3.25 105.19 107.58 3cd6 n GLY 112 Ca -0.20 -2.13 -0.27 0.00 0.00 0.00 0.00 46.02 43.42 3cd6 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cd6 s GLN 113 N -0.07 3.41 -0.35 1.61 -0.21 -1.26 -4.88 119.66 117.90 3cd6 s GLN 113 Ca 0.00 -0.59 0.02 0.00 0.02 0.00 0.00 55.36 54.81 3cd6 s GLN 113 Cb 0.00 -2.96 0.11 0.00 1.00 0.00 0.00 33.01 31.16 3cd6 s GLN 113 CO 0.00 0.53 0.10 0.08 -2.12 0.00 0.00 175.29 173.89 3cd6 s VAL 114 N -1.70 1.71 -1.57 1.09 1.01 -1.26 -4.45 120.40 115.23 3cd6 s VAL 114 Ca 0.34 -2.10 0.29 0.00 0.00 0.00 0.00 61.98 60.51 3cd6 s VAL 114 Cb -0.11 -2.26 0.43 0.00 0.00 0.00 0.00 36.38 34.44 3cd6 s VAL 114 CO 0.28 -0.67 1.86 0.54 0.00 0.00 0.00 175.10 177.11 3cd6 n ARG 115 N 4.31 0.60 -4.56 2.72 1.74 -1.26 -4.82 116.66 115.39 3cd6 n ARG 115 Ca 0.02 -0.19 -0.26 0.00 -0.77 0.00 0.00 57.85 56.65 3cd6 n ARG 115 Cb 0.40 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.24 3cd6 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3cd6 s HIS 116 N -2.53 2.37 -0.47 -1.55 3.76 -1.26 -5.10 115.29 110.51 3cd6 s HIS 116 Ca 0.27 -0.62 -0.25 0.00 -0.15 0.00 0.00 55.06 54.31 3cd6 s HIS 116 Cb 0.20 -1.51 0.03 0.00 1.11 0.00 0.00 32.58 32.41 3cd6 s HIS 116 CO 0.49 0.46 0.93 -1.83 -0.85 0.00 0.00 174.74 173.94 3cd6 s GLU 117 N -3.68 3.52 -0.07 1.40 -1.05 -1.26 -4.83 118.70 112.73 3cd6 s GLU 117 Ca 0.33 0.14 0.04 0.00 -0.15 0.00 0.00 54.97 55.33 3cd6 s GLU 117 Cb 0.06 -3.94 -0.02 0.00 -0.44 0.00 0.00 34.13 29.80 3cd6 s GLU 117 CO 0.17 -1.24 -0.19 -0.51 0.95 0.00 0.00 175.26 174.43 3cd6 s LEU 118 N 3.78 2.42 -0.51 1.83 1.43 -1.26 -0.15 118.68 126.22 3cd6 s LEU 118 Ca 0.37 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3cd6 s LEU 118 Cb -0.10 -1.48 0.13 0.00 0.03 0.00 0.00 46.19 44.77 3cd6 s LEU 118 CO 0.26 0.27 0.29 -0.89 0.23 0.00 0.00 176.35 176.51 3cd6 s THR 119 N -0.28 3.19 -0.18 5.49 2.01 -0.18 -1.95 115.64 123.75 3cd6 s THR 119 Ca 0.01 -2.74 -0.14 0.00 0.31 0.00 0.00 61.69 59.13 3cd6 s THR 119 Cb -0.13 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 3cd6 s THR 119 CO 0.03 -0.78 0.31 -0.76 -0.69 0.00 0.00 174.62 172.73 3cd6 s LEU 120 N 0.31 4.21 -0.24 4.42 1.43 -1.01 -1.91 118.68 125.89 3cd6 s LEU 120 Ca 0.14 0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.68 3cd6 s LEU 120 Cb -0.22 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3cd6 s LEU 120 CO -0.03 0.04 -0.02 -0.63 0.23 0.00 0.00 176.35 175.94 3cd6 s ILE 121 N 0.76 3.37 0.20 -0.59 1.01 -1.08 -1.18 121.20 123.70 3cd6 s ILE 121 Ca 0.17 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 59.98 3cd6 s ILE 121 Cb -0.14 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.74 3cd6 s ILE 121 CO 0.05 0.30 0.52 0.00 0.00 0.00 0.00 174.94 175.82 3cd6 s ALA 122 N 1.45 -0.90 0.24 9.38 0.00 -1.06 -1.93 121.76 128.94 3cd6 s ALA 122 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 3cd6 s ALA 122 Cb -0.15 0.86 0.28 0.00 0.00 0.00 0.00 23.12 24.11 3cd6 s ALA 122 CO -0.02 -0.81 1.69 -0.44 0.00 0.00 0.00 175.76 176.17 3cd6 h ASP 123 N 2.20 0.72 -4.80 0.00 3.32 -1.84 -3.18 116.42 112.85 3cd6 h ASP 123 Ca -0.28 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.41 3cd6 h ASP 123 Cb 1.26 -0.20 -0.21 0.00 0.22 0.00 0.00 39.33 40.41 3cd6 h ASP 123 CO 0.37 0.89 -0.32 -0.62 -1.72 0.00 0.00 179.24 177.84 3cd6 s ASP 124 N -6.72 -0.18 0.06 6.45 2.15 -0.78 -4.13 116.67 113.53 3cd6 s ASP 124 Ca -0.09 0.13 0.03 0.00 0.43 0.00 0.00 52.55 53.06 3cd6 s ASP 124 Cb 0.14 0.35 -0.03 0.00 -0.30 0.00 0.00 42.92 43.08 3cd6 s ASP 124 CO 0.82 -0.38 -0.10 -0.36 -0.17 0.00 0.00 175.17 174.98 3cd6 s PHE 125 N -1.09 0.89 0.49 -5.34 0.40 -1.26 -1.30 117.98 110.76 3cd6 s PHE 125 Ca -0.12 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.68 3cd6 s PHE 125 Cb -0.05 -0.51 0.01 0.00 0.51 0.00 0.00 43.02 42.99 3cd6 s PHE 125 CO 0.03 -0.04 0.71 -1.54 0.70 0.00 0.00 175.22 175.08 3cd6 s SER 126 N -1.89 5.56 0.40 1.36 1.04 -1.14 -4.97 113.70 114.05 3cd6 s SER 126 Ca -0.04 0.08 0.13 0.00 0.48 0.00 0.00 55.95 56.60 3cd6 s SER 126 Cb -0.07 -1.15 0.83 0.00 0.10 0.00 0.00 66.02 65.73 3cd6 s SER 126 CO 0.00 -0.91 1.90 -0.08 0.98 0.00 0.00 173.24 175.14 3cd6 h GLU 127 N 0.28 0.04 0.00 4.02 4.81 -2.00 -2.22 114.58 119.51 3cd6 h GLU 127 Ca -0.44 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.65 3cd6 h GLU 127 Cb 1.28 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 3cd6 h GLU 127 CO 0.54 0.30 -0.61 0.78 -0.73 0.00 0.00 179.01 179.30 3cd6 h GLY 128 N 0.84 0.00 1.27 1.92 0.00 -1.94 -2.87 103.07 102.28 3cd6 h GLY 128 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3cd6 h GLY 128 CO 0.04 0.00 -0.58 0.00 0.00 0.00 0.00 176.54 176.00 3cd6 h ALA 129 N 1.39 0.52 0.25 3.60 0.00 -1.68 -2.90 119.26 120.44 3cd6 h ALA 129 Ca -0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3cd6 h ALA 129 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3cd6 h ALA 129 CO 0.08 0.69 -0.12 0.00 0.00 0.00 0.00 179.25 179.90 3cd6 h ARG 130 N 0.58 -0.32 -0.83 0.00 3.08 -1.50 -3.00 114.38 112.38 3cd6 h ARG 130 Ca 0.01 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.21 3cd6 h ARG 130 Cb 1.17 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 31.20 3cd6 h ARG 130 CO 0.12 0.04 0.43 0.93 -1.07 0.00 0.00 179.97 180.42 3cd6 h GLU 131 N -0.84 0.62 0.00 0.04 5.08 -1.61 0.04 114.58 117.91 3cd6 h GLU 131 Ca -0.03 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3cd6 h GLU 131 Cb 0.51 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3cd6 h GLU 131 CO 0.06 0.41 -0.43 0.87 -1.00 0.00 0.00 179.01 178.91 3cd6 h LYS 132 N 0.64 0.00 0.18 2.33 1.57 -1.61 -2.17 116.57 117.51 3cd6 h LYS 132 Ca 0.44 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.92 3cd6 h LYS 132 Cb 0.58 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.91 3cd6 h LYS 132 CO -0.34 0.43 -1.44 0.28 -0.57 0.00 0.00 179.45 177.81 3cd6 h VAL 133 N 0.00 1.15 0.00 0.50 2.07 -1.14 -3.25 116.25 115.58 3cd6 h VAL 133 Ca -0.00 -2.54 -0.12 0.00 0.82 0.00 0.00 66.70 64.86 3cd6 h VAL 133 Cb 1.02 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.68 3cd6 h VAL 133 CO 0.06 0.79 -0.55 -0.33 0.02 0.00 0.00 177.57 177.56 3cd6 h GLU 134 N -0.05 0.00 -0.00 1.57 5.08 -1.07 -0.62 114.58 119.48 3cd6 h GLU 134 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3cd6 h GLU 134 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 3cd6 h GLU 134 CO 0.18 0.55 -0.01 0.41 -1.00 0.00 0.00 179.01 179.14 3cd6 n GLY 135 N 0.05 -0.93 0.30 -3.84 0.00 -0.82 -2.59 105.19 97.36 3cd6 n GLY 135 Ca -0.01 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 45.81 3cd6 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd6 n ALA 136 N -0.91 2.17 -2.23 4.61 0.00 -1.01 -4.99 120.51 118.14 3cd6 n ALA 136 Ca 0.21 -0.96 -0.00 0.00 0.00 0.00 0.00 53.44 52.69 3cd6 n ALA 136 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3cd6 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cd6 n GLY 137 N 0.07 0.67 3.33 0.00 0.00 -1.07 -4.22 105.19 103.97 3cd6 n GLY 137 Ca 0.05 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 3cd6 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cd6 s GLY 138 N -3.00 2.03 0.17 -0.02 0.00 -0.27 -4.44 107.32 101.78 3cd6 s GLY 138 Ca 0.00 -1.76 0.08 0.00 0.00 0.00 0.00 44.72 43.04 3cd6 s GLY 138 CO 0.00 -1.58 -0.16 -1.35 0.00 0.00 0.00 173.10 170.01 3cd6 s SER 139 N -3.37 2.47 -0.20 1.64 1.04 -0.82 -3.88 113.70 110.58 3cd6 s SER 139 Ca 0.36 -0.90 -0.02 0.00 0.48 0.00 0.00 55.95 55.87 3cd6 s SER 139 Cb 0.05 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3cd6 s SER 139 CO 0.17 -0.10 -0.11 -0.69 0.98 0.00 0.00 173.24 173.49 3cd6 s VAL 140 N -2.35 2.86 -0.25 5.02 1.01 -1.26 -2.39 120.40 123.04 3cd6 s VAL 140 Ca 0.16 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3cd6 s VAL 140 Cb -0.04 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.09 3cd6 s VAL 140 CO 0.06 0.47 -0.01 -1.61 0.00 0.00 0.00 175.10 174.01 3cd6 s GLU 141 N 1.31 3.13 -0.08 2.72 2.02 -0.32 -5.01 118.70 122.48 3cd6 s GLU 141 Ca 0.04 -0.80 -0.18 0.00 0.02 0.00 0.00 54.97 54.05 3cd6 s GLU 141 Cb -0.14 -3.11 -0.05 0.00 0.10 0.00 0.00 34.13 30.94 3cd6 s GLU 141 CO -0.06 -0.33 0.48 -1.17 0.02 0.00 0.00 175.26 174.20 3cd6 s LEU 142 N 1.44 4.33 1.16 1.80 2.96 -1.26 -2.57 118.68 126.54 3cd6 s LEU 142 Ca 0.03 0.89 -0.19 0.00 -0.22 0.00 0.00 54.13 54.64 3cd6 s LEU 142 Cb -0.16 -2.71 0.28 0.00 0.50 0.00 0.00 46.19 44.10 3cd6 s LEU 142 CO -0.02 0.07 1.19 -0.89 -1.32 0.00 0.00 176.35 175.38 3cd6 s THR 143 N 0.20 1.67 -0.10 3.68 2.01 -1.20 -4.86 115.64 117.04 3cd6 s THR 143 Ca 0.26 0.00 0.30 0.00 0.31 0.00 0.00 61.69 62.56 3cd6 s THR 143 Cb -0.16 -2.65 0.37 0.00 0.01 0.00 0.00 72.50 70.07 3cd6 s THR 143 CO 0.12 0.00 1.86 0.44 -0.69 0.00 0.00 174.62 176.35 3cd6 h ASP 144 N -2.41 0.00 0.93 3.53 3.32 -1.97 -1.71 116.42 118.10 3cd6 h ASP 144 Ca -0.43 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.40 3cd6 h ASP 144 Cb 1.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 3cd6 h ASP 144 CO 0.30 0.00 -1.10 0.25 -1.72 0.00 0.00 179.24 176.98 3cd6 h LEU 145 N 0.00 0.00 0.00 1.55 6.46 -1.93 -3.20 115.31 118.18 3cd6 h LEU 145 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3cd6 h LEU 145 Cb 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 3cd6 h LEU 145 CO 0.00 0.99 0.00 0.61 -0.62 0.00 0.00 178.44 179.42 3cd6 n GLY 146 N 1.38 -0.90 1.42 3.75 0.00 -0.65 -3.86 105.19 106.33 3cd6 n GLY 146 Ca -0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 3cd6 n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cd6 n GLU 147 N -0.73 1.36 -0.09 1.61 1.02 -1.19 -3.77 120.64 118.86 3cd6 n GLU 147 Ca 0.10 -0.82 0.10 0.00 -0.02 0.00 0.00 57.16 56.52 3cd6 n GLU 147 Cb 0.04 -1.32 0.14 0.00 -0.02 0.00 0.00 31.44 30.28 3cd6 n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3cd6 n GLU 148 N 0.25 2.01 -2.23 3.49 1.02 -1.25 -4.82 120.64 119.10 3cd6 n GLU 148 Ca 0.16 -1.89 -0.42 0.00 -0.02 0.00 0.00 57.16 54.99 3cd6 n GLU 148 Cb 0.75 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 3cd6 n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3cd6 n ARG 149 N 1.15 3.94 0.00 3.49 1.74 -1.25 -5.25 116.66 120.48 3cd6 n ARG 149 Ca 0.14 -3.52 0.00 0.00 -0.77 0.00 0.00 57.85 53.70 3cd6 n ARG 149 Cb 0.51 -2.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.12 3cd6 n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05