#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc s SER 2 N 0.00 5.20 0.11 8.00 1.04 -1.26 -5.01 113.70 121.79 3cxc s SER 2 Ca 0.00 -0.71 -0.22 0.00 0.48 0.00 0.00 55.95 55.49 3cxc s SER 2 Cb 0.00 -0.37 -0.08 0.00 0.10 0.00 0.00 66.02 65.68 3cxc s SER 2 CO 0.00 -0.84 1.70 0.50 0.98 0.00 0.00 173.24 175.58 3cxc h LYS 3 N 0.75 -0.11 -0.65 4.02 3.64 -2.07 -2.16 116.57 119.99 3cxc h LYS 3 Ca -0.39 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.12 3cxc h LYS 3 Cb 1.28 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 33.03 3cxc h LYS 3 CO 0.51 -0.07 0.18 0.87 -2.27 0.00 0.00 179.45 178.67 3cxc h LYS 4 N -0.11 0.30 -0.52 1.90 1.57 -2.02 -1.53 116.57 116.16 3cxc h LYS 4 Ca 0.05 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3cxc h LYS 4 Cb 0.19 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3cxc h LYS 4 CO -0.13 0.20 0.35 -0.22 -0.57 0.00 0.00 179.45 179.08 3cxc h LYS 5 N 0.31 0.54 0.00 3.15 1.63 -1.80 -2.02 116.57 118.38 3cxc h LYS 5 Ca 0.35 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 3cxc h LYS 5 Cb 0.52 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 3cxc h LYS 5 CO -0.41 0.35 0.00 0.54 -3.45 0.00 0.00 179.45 176.49 3cxc n ARG 6 N -4.47 0.37 0.22 1.90 1.74 -0.58 -4.16 116.66 111.68 3cxc n ARG 6 Ca 0.06 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.20 3cxc n ARG 6 Cb 0.18 -1.50 0.51 0.00 -1.02 0.00 0.00 32.46 30.63 3cxc n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3cxc h GLN 7 N 0.00 0.00 -5.97 5.56 1.08 -1.29 -3.44 115.11 111.06 3cxc h GLN 7 Ca 0.00 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.58 3cxc h GLN 7 Cb 0.31 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 3cxc h GLN 7 CO 0.00 0.18 1.48 0.54 -0.95 0.00 0.00 178.83 180.08 3cxc n ARG 8 N -4.29 1.60 0.00 1.46 5.12 -1.26 -1.80 116.66 117.49 3cxc n ARG 8 Ca -0.02 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 3cxc n ARG 8 Cb 0.25 -2.96 0.00 0.00 -1.16 0.00 0.00 32.46 28.59 3cxc n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cxc n GLY 9 N 6.08 1.10 0.01 -0.13 0.00 -1.26 -4.96 105.19 106.03 3cxc n GLY 9 Ca 0.35 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.49 3cxc n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cxc n SER 10 N 0.00 0.35 0.00 1.61 3.41 -0.74 -4.96 113.62 113.29 3cxc n SER 10 Ca 0.00 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3cxc n SER 10 Cb 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3cxc n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3cxc n ARG 11 N -1.62 0.00 0.00 4.33 0.63 -1.26 -4.13 116.66 114.61 3cxc n ARG 11 Ca 0.06 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.13 3cxc n ARG 11 Cb 0.35 0.00 0.70 0.00 0.45 0.00 0.00 32.46 33.96 3cxc n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3cxc n THR 12 N 0.00 0.00 -4.06 5.15 -2.24 -1.26 -4.95 114.28 106.92 3cxc n THR 12 Ca 0.00 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 3cxc n THR 12 Cb 0.00 -0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 67.90 3cxc n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3cxc n HIS 13 N -1.15 -1.98 -1.10 4.78 8.25 -1.26 -1.22 115.22 121.54 3cxc n HIS 13 Ca 0.14 0.84 -0.04 0.00 -0.26 0.00 0.00 57.72 58.41 3cxc n HIS 13 Cb 0.25 -3.47 -0.02 0.00 1.12 0.00 0.00 29.99 27.88 3cxc n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cxc n GLY 14 N -1.57 0.64 1.04 -1.41 0.00 -1.26 -4.92 105.19 97.71 3cxc n GLY 14 Ca 0.02 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.70 3cxc n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxc n GLY 15 N -2.05 1.60 7.00 -0.02 0.00 -0.36 -5.05 105.19 106.31 3cxc n GLY 15 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3cxc n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxc n GLY 16 N 1.41 0.93 3.59 -0.02 0.00 -1.26 -4.67 105.19 105.17 3cxc n GLY 16 Ca 0.19 -0.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 3cxc n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cxc n SER 17 N 2.37 1.29 0.00 1.61 2.88 -1.26 -4.80 113.62 115.71 3cxc n SER 17 Ca 0.00 1.17 0.06 0.00 -1.33 0.00 0.00 58.87 58.78 3cxc n SER 17 Cb 0.00 -1.29 0.34 0.00 -0.75 0.00 0.00 64.21 62.51 3cxc n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cxc n HIS 18 N 0.19 0.00 1.32 0.66 -0.00 -1.26 -0.81 115.22 115.32 3cxc n HIS 18 Ca 0.09 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.94 3cxc n HIS 18 Cb 0.32 -0.20 0.43 0.00 -0.00 0.00 0.00 29.99 30.54 3cxc n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3cxc n LYS 19 N -1.20 1.74 -0.02 -1.40 5.02 -1.26 -4.56 118.16 116.47 3cxc n LYS 19 Ca 0.07 -1.09 -0.01 0.00 -2.02 0.00 0.00 58.31 55.27 3cxc n LYS 19 Cb 0.09 -1.44 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3cxc n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3cxc h ASN 20 N 2.39 0.00 -0.18 4.39 2.35 -1.25 -3.43 115.58 119.84 3cxc h ASN 20 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 3cxc h ASN 20 Cb 0.52 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.91 3cxc h ASN 20 CO 0.00 0.17 1.04 0.54 -1.65 0.00 0.00 177.43 177.53 3cxc n ARG 21 N -2.81 0.87 0.00 0.81 1.74 -1.26 -4.74 116.66 111.26 3cxc n ARG 21 Ca -0.01 -1.88 0.00 0.00 -0.77 0.00 0.00 57.85 55.19 3cxc n ARG 21 Cb 0.04 -3.43 0.00 0.00 -1.02 0.00 0.00 32.46 28.05 3cxc n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3cxc n ARG 22 N 7.95 0.00 -0.16 5.56 1.74 -1.26 -5.14 116.66 125.35 3cxc n ARG 22 Ca 0.45 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 3cxc n ARG 22 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 3cxc n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cxc n GLY 23 N 5.00 0.81 0.17 -0.13 0.00 -1.26 -4.93 105.19 104.84 3cxc n GLY 23 Ca 0.00 -1.89 0.11 0.00 0.00 0.00 0.00 46.02 44.23 3cxc n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxc n ALA 24 N -3.00 1.00 0.20 4.61 0.00 -1.26 -2.12 120.51 119.93 3cxc n ALA 24 Ca 0.00 0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.70 3cxc n ALA 24 Cb 0.00 -1.27 0.53 0.00 0.00 0.00 0.00 19.45 18.71 3cxc n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3cxc h GLY 25 N 0.00 0.10 2.00 0.00 0.00 -1.92 0.33 103.07 103.59 3cxc h GLY 25 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3cxc h GLY 25 CO 0.00 0.05 0.00 1.57 0.00 0.00 0.00 176.54 178.16 3cxc n HIS 26 N -4.42 0.64 0.38 5.60 -0.00 -0.90 -1.78 115.22 114.74 3cxc n HIS 26 Ca -0.02 0.24 0.06 0.00 -0.00 0.00 0.00 57.72 58.00 3cxc n HIS 26 Cb 0.17 -0.88 0.07 0.00 -0.00 0.00 0.00 29.99 29.34 3cxc n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3cxc n ARG 27 N -2.07 1.01 -3.40 1.57 1.74 0.10 -4.99 116.66 110.62 3cxc n ARG 27 Ca 0.03 -1.35 -0.19 0.00 -0.77 0.00 0.00 57.85 55.57 3cxc n ARG 27 Cb 0.25 -1.24 0.07 0.00 -1.02 0.00 0.00 32.46 30.53 3cxc n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cxc n GLY 28 N 0.65 -0.32 0.00 -0.13 0.00 -0.31 -4.82 105.19 100.26 3cxc n GLY 28 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3cxc n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxc n GLY 29 N -1.66 2.77 3.69 -0.02 0.00 -0.66 -4.61 105.19 104.69 3cxc n GLY 29 Ca -0.05 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 3cxc n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cxc s ARG 30 N -3.56 4.41 6.66 1.61 6.06 -1.26 -4.68 118.95 128.19 3cxc s ARG 30 Ca 0.00 1.36 0.00 0.00 -2.50 0.00 0.00 55.73 54.59 3cxc s ARG 30 Cb 0.00 -3.54 0.00 0.00 0.06 0.00 0.00 34.95 31.47 3cxc s ARG 30 CO 0.00 -0.32 0.00 0.41 -2.50 0.00 0.00 175.30 172.89 3cxc n GLY 31 N 3.12 2.70 0.51 8.12 0.00 -1.26 -2.94 105.19 115.44 3cxc n GLY 31 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3cxc n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cxc n ASP 32 N 3.69 0.99 -4.66 1.61 8.00 -1.26 -4.93 116.55 120.00 3cxc n ASP 32 Ca 0.00 -1.89 -0.43 0.00 0.71 0.00 0.00 54.79 53.18 3cxc n ASP 32 Cb 0.00 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.62 3cxc n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cxc n ALA 33 N 0.04 0.71 -1.08 2.24 0.00 -1.15 -2.02 120.51 119.25 3cxc n ALA 33 Ca 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.77 3cxc n ALA 33 Cb 0.24 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 3cxc n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxc n GLY 34 N 0.95 0.54 0.04 0.00 0.00 -1.26 -4.79 105.19 100.66 3cxc n GLY 34 Ca 0.07 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.91 3cxc n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cxc n ARG 35 N -1.73 0.03 0.00 1.61 -4.01 -0.85 -0.51 116.66 111.19 3cxc n ARG 35 Ca -0.03 0.50 0.01 0.00 -1.04 0.00 0.00 57.85 57.28 3cxc n ARG 35 Cb 0.24 -1.65 0.00 0.00 -3.04 0.00 0.00 32.46 28.02 3cxc n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 3cxc n ASP 36 N -1.64 0.89 0.00 2.89 5.75 -1.26 -3.54 116.55 119.64 3cxc n ASP 36 Ca -0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 3cxc n ASP 36 Cb 0.05 0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 3cxc n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3cxc n LYS 37 N -0.15 0.00 0.19 0.11 4.76 0.33 -4.79 118.16 118.61 3cxc n LYS 37 Ca 0.01 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.59 3cxc n LYS 37 Cb 0.03 0.00 0.51 0.00 -1.84 0.00 0.00 35.03 33.72 3cxc n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 3cxc h HIS 38 N 0.00 0.00 -0.48 2.13 2.07 -1.93 -3.24 115.15 113.71 3cxc h HIS 38 Ca 0.00 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.17 3cxc h HIS 38 Cb 0.00 0.00 -0.34 0.00 2.57 0.00 0.00 27.41 29.64 3cxc h HIS 38 CO 0.00 0.00 -0.86 0.39 -3.07 0.00 0.00 177.93 174.39 3cxc n GLU 39 N -2.67 2.49 -0.01 5.12 1.02 -0.54 -4.81 120.64 121.24 3cxc n GLU 39 Ca 0.02 -3.67 0.00 0.00 -0.02 0.00 0.00 57.16 53.49 3cxc n GLU 39 Cb 0.33 -1.81 0.30 0.00 -0.02 0.00 0.00 31.44 30.24 3cxc n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3cxc h PHE 40 N 1.97 0.56 -1.30 -0.32 -5.15 -1.58 -3.40 116.94 107.73 3cxc h PHE 40 Ca 0.13 -0.05 -0.66 0.00 -0.20 0.00 0.00 57.97 57.20 3cxc h PHE 40 Cb 1.41 -0.17 0.11 0.00 0.22 0.00 0.00 35.95 37.52 3cxc h PHE 40 CO 0.69 0.52 -0.40 0.72 -2.00 0.00 0.00 178.31 177.85 3cxc n HIS 41 N -4.30 -0.13 -3.86 6.09 -0.00 -1.26 -2.90 115.22 108.86 3cxc n HIS 41 Ca 0.02 0.92 -0.26 0.00 -0.00 0.00 0.00 57.72 58.39 3cxc n HIS 41 Cb 0.22 -2.02 0.00 0.00 -0.00 0.00 0.00 29.99 28.20 3cxc n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3cxc n ASN 42 N 1.84 -1.55 -3.86 0.41 5.03 -1.26 -5.00 115.26 110.87 3cxc n ASN 42 Ca 0.16 -0.98 -0.14 0.00 0.87 0.00 0.00 54.58 54.49 3cxc n ASN 42 Cb 0.26 -3.26 -0.15 0.00 -1.02 0.00 0.00 39.78 35.61 3cxc n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3cxc s HIS 43 N -3.81 0.16 0.42 3.10 3.76 -1.14 -5.11 115.29 112.66 3cxc s HIS 43 Ca 0.11 0.00 -0.26 0.00 -0.15 0.00 0.00 55.06 54.76 3cxc s HIS 43 Cb -0.04 -0.18 -0.08 0.00 1.11 0.00 0.00 32.58 33.39 3cxc s HIS 43 CO 0.87 -0.04 1.31 -1.21 -0.85 0.00 0.00 174.74 174.83 3cxc s GLU 44 N 0.34 3.91 0.71 1.40 2.02 -1.26 -4.91 118.70 120.90 3cxc s GLU 44 Ca -0.03 2.18 -0.16 0.00 0.02 0.00 0.00 54.97 56.97 3cxc s GLU 44 Cb -0.05 -2.72 0.01 0.00 0.10 0.00 0.00 34.13 31.47 3cxc s GLU 44 CO -0.01 -0.55 1.14 -0.35 0.02 0.00 0.00 175.26 175.51 3cxc n PRO 45 N 0.04 0.68 -0.70 0.39 -0.04 -1.26 -4.98 135.00 129.13 3cxc n PRO 45 Ca 0.04 0.29 -0.31 0.00 -0.04 0.00 0.00 63.50 63.48 3cxc n PRO 45 Cb 0.44 -2.38 0.17 0.00 -0.04 0.00 0.00 33.50 31.68 3cxc n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3cxc s LEU 46 N -4.07 2.80 0.00 1.53 1.43 -1.26 -4.98 118.68 114.13 3cxc s LEU 46 Ca 0.77 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 56.04 3cxc s LEU 46 Cb -0.35 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.33 3cxc s LEU 46 CO 0.46 -3.12 0.00 0.61 0.23 0.00 0.00 176.35 174.53 3cxc n GLY 47 N 0.20 3.66 3.87 -3.19 0.00 -1.26 -5.10 105.19 103.37 3cxc n GLY 47 Ca 0.12 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 3cxc n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cxc s LYS 48 N -2.81 3.19 -0.22 1.61 1.02 -1.26 -5.12 119.74 116.15 3cxc s LYS 48 Ca 0.00 -0.65 -0.07 0.00 0.02 0.00 0.00 55.97 55.27 3cxc s LYS 48 Cb 0.00 -2.85 0.10 0.00 -0.52 0.00 0.00 37.83 34.56 3cxc s LYS 48 CO 0.00 0.54 0.47 0.45 -0.92 0.00 0.00 175.35 175.89 3cxc s SER 49 N -2.89 -0.43 0.48 2.83 0.15 -1.26 -5.14 113.70 107.46 3cxc s SER 49 Ca 0.33 1.05 0.00 0.00 0.70 0.00 0.00 55.95 58.02 3cxc s SER 49 Cb -0.11 1.55 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 3cxc s SER 49 CO 0.26 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.07 3cxc n GLY 50 N 5.40 -0.41 3.39 9.45 0.00 -1.26 -4.99 105.19 116.77 3cxc n GLY 50 Ca -0.09 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 3cxc n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cxc s PHE 51 N 0.00 0.82 0.03 1.61 -0.12 -1.26 -5.17 117.98 113.89 3cxc s PHE 51 Ca 0.00 -1.10 0.06 0.00 -0.05 0.00 0.00 56.93 55.84 3cxc s PHE 51 Cb 0.00 -0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.16 3cxc s PHE 51 CO 0.00 -0.82 -0.18 0.15 -0.05 0.00 0.00 175.22 174.32 3cxc s LYS 52 N -4.02 1.24 0.13 1.99 1.02 -1.26 -5.13 119.74 113.71 3cxc s LYS 52 Ca 0.31 -0.78 -0.13 0.00 0.02 0.00 0.00 55.97 55.39 3cxc s LYS 52 Cb 0.03 -1.28 -0.07 0.00 -0.52 0.00 0.00 37.83 36.00 3cxc s LYS 52 CO 0.11 0.33 0.52 1.03 -0.92 0.00 0.00 175.35 176.43 3cxc s ARG 53 N -0.93 3.94 0.23 1.68 0.52 -1.26 -5.01 118.95 118.12 3cxc s ARG 53 Ca 0.05 0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 55.38 3cxc s ARG 53 Cb -0.08 -2.95 -0.14 0.00 0.52 0.00 0.00 34.95 32.30 3cxc s ARG 53 CO 0.01 0.50 1.33 -0.35 0.02 0.00 0.00 175.30 176.81 3cxc n PRO 54 N 0.84 1.83 -0.31 3.54 -0.04 -1.26 -4.86 135.00 134.74 3cxc n PRO 54 Ca -0.06 0.65 0.13 0.00 -0.04 0.00 0.00 63.50 64.18 3cxc n PRO 54 Cb 0.52 -2.25 0.29 0.00 -0.04 0.00 0.00 33.50 32.01 3cxc n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3cxc h GLN 55 N 3.83 0.12 -0.96 0.54 4.20 -1.98 -0.88 115.11 119.98 3cxc h GLN 55 Ca -0.44 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 3cxc h GLN 55 Cb 1.29 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 3cxc h GLN 55 CO 0.73 0.08 0.03 0.36 -0.67 0.00 0.00 178.83 179.36 3cxc n LYS 56 N -5.32 1.40 0.00 1.46 2.85 -1.26 -2.62 118.16 114.67 3cxc n LYS 56 Ca 0.22 -0.40 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 3cxc n LYS 56 Cb 0.71 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.62 3cxc n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3cxc n VAL 57 N 0.14 0.31 -3.91 0.58 0.31 -0.34 -5.04 118.33 110.39 3cxc n VAL 57 Ca 0.05 -0.52 -0.35 0.00 -0.01 0.00 0.00 64.34 63.51 3cxc n VAL 57 Cb 0.46 1.00 -0.05 0.00 -0.91 0.00 0.00 33.84 34.33 3cxc n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3cxc s GLN 58 N -0.31 3.42 -0.17 5.55 -0.21 -1.08 -5.00 119.66 121.87 3cxc s GLN 58 Ca 0.00 -0.26 -0.02 0.00 0.02 0.00 0.00 55.36 55.11 3cxc s GLN 58 Cb 0.00 -3.12 -0.01 0.00 1.00 0.00 0.00 33.01 30.88 3cxc s GLN 58 CO 0.00 0.71 -0.09 -1.21 -2.12 0.00 0.00 175.29 172.58 3cxc s GLU 59 N -1.58 3.38 -0.40 2.91 2.02 -1.26 -5.07 118.70 118.70 3cxc s GLU 59 Ca 0.22 -0.66 -0.13 0.00 0.02 0.00 0.00 54.97 54.43 3cxc s GLU 59 Cb -0.12 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.33 3cxc s GLU 59 CO 0.13 0.02 0.26 -2.00 0.02 0.00 0.00 175.26 173.69 3cxc s GLU 60 N 0.87 2.88 0.15 1.61 2.12 -1.26 -4.99 118.70 120.07 3cxc s GLU 60 Ca -0.03 -1.08 -0.26 0.00 0.36 0.00 0.00 54.97 53.96 3cxc s GLU 60 Cb -0.15 -3.86 -0.07 0.00 0.26 0.00 0.00 34.13 30.31 3cxc s GLU 60 CO 0.00 -0.75 0.82 0.00 -0.54 0.00 0.00 175.26 174.80 3cxc s ALA 61 N 1.61 3.40 -0.37 6.30 0.00 -1.26 -0.90 121.76 130.53 3cxc s ALA 61 Ca 0.03 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 3cxc s ALA 61 Cb -0.19 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3cxc s ALA 61 CO 0.08 0.20 0.47 0.00 0.00 0.00 0.00 175.76 176.51 3cxc s ALA 62 N -0.80 3.46 0.14 0.00 0.00 0.86 -4.95 121.76 120.46 3cxc s ALA 62 Ca 0.38 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 51.22 3cxc s ALA 62 Cb -0.23 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 3cxc s ALA 62 CO 0.27 -1.32 -0.01 0.95 0.00 0.00 0.00 175.76 175.65 3cxc s THR 63 N 2.28 3.78 -0.12 0.00 -4.23 -1.26 0.31 115.64 116.40 3cxc s THR 63 Ca 0.16 -1.25 -0.17 0.00 -1.18 0.00 0.00 61.69 59.25 3cxc s THR 63 Cb -0.16 -2.85 0.04 0.00 1.34 0.00 0.00 72.50 70.87 3cxc s THR 63 CO 0.13 -0.00 0.43 -0.51 -0.54 0.00 0.00 174.62 174.13 3cxc s ILE 64 N -1.52 0.01 0.09 2.99 2.07 -0.75 -4.96 121.20 119.15 3cxc s ILE 64 Ca 0.26 -0.12 -0.14 0.00 -1.41 0.00 0.00 60.65 59.24 3cxc s ILE 64 Cb -0.10 -0.65 -0.06 0.00 0.13 0.00 0.00 42.46 41.78 3cxc s ILE 64 CO 0.18 -0.07 0.48 -1.81 -1.91 0.00 0.00 174.94 171.82 3cxc s ASP 65 N -0.28 6.80 0.26 4.50 1.01 -1.26 0.96 116.67 128.66 3cxc s ASP 65 Ca -0.04 1.00 -0.03 0.00 0.71 0.00 0.00 52.55 54.19 3cxc s ASP 65 Cb -0.03 -2.26 0.55 0.00 1.01 0.00 0.00 42.92 42.19 3cxc s ASP 65 CO 0.02 0.18 1.66 -0.37 0.21 0.00 0.00 175.17 176.87 3cxc h VAL 66 N 3.07 0.38 -0.96 -1.27 -1.51 -1.16 0.05 116.25 114.86 3cxc h VAL 66 Ca -0.49 -0.07 0.28 0.00 -1.23 0.00 0.00 66.70 65.19 3cxc h VAL 66 Cb 1.20 0.17 -0.17 0.00 -2.13 0.00 0.00 31.29 30.36 3cxc h VAL 66 CO 0.65 0.04 0.16 -0.09 -1.23 0.00 0.00 177.57 177.10 3cxc h ARG 67 N 0.20 0.06 -0.35 5.19 2.43 -1.66 0.27 114.38 120.52 3cxc h ARG 67 Ca 0.47 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.55 3cxc h ARG 67 Cb 0.87 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3cxc h ARG 67 CO -0.61 0.04 -0.11 1.49 -1.51 0.00 0.00 179.97 179.26 3cxc h GLU 68 N 0.06 0.69 0.45 0.20 4.81 -1.28 0.18 114.58 119.70 3cxc h GLU 68 Ca 0.62 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 3cxc h GLU 68 Cb 1.35 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3cxc h GLU 68 CO -0.82 0.87 -0.22 0.82 -0.73 0.00 0.00 179.01 178.93 3cxc h ILE 69 N 0.48 0.00 -0.80 2.32 2.04 -0.69 -3.18 117.51 117.68 3cxc h ILE 69 Ca 0.08 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.14 3cxc h ILE 69 Cb 0.63 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.58 3cxc h ILE 69 CO 0.04 0.00 0.09 -0.78 0.00 0.00 0.00 178.15 177.50 3cxc h ASP 70 N -0.61 -0.22 0.29 1.72 3.58 -0.64 0.02 116.42 120.57 3cxc h ASP 70 Ca -0.06 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.58 3cxc h ASP 70 Cb 0.46 0.31 0.00 0.00 1.72 0.00 0.00 39.33 41.83 3cxc h ASP 70 CO 0.10 -0.16 0.00 -0.62 -2.88 0.00 0.00 179.24 175.68 3cxc n GLU 71 N -5.30 0.01 -0.06 0.28 1.02 0.05 -3.04 120.64 113.60 3cxc n GLU 71 Ca 0.16 0.37 0.01 0.00 -0.02 0.00 0.00 57.16 57.68 3cxc n GLU 71 Cb 0.54 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.45 3cxc n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3cxc n ASN 72 N -1.54 1.03 -0.19 1.62 3.02 -0.05 -4.87 115.26 114.28 3cxc n ASN 72 Ca 0.02 -1.71 -0.13 0.00 -0.03 0.00 0.00 54.58 52.74 3cxc n ASN 72 Cb 0.10 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.12 3cxc n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3cxc h VAL 73 N 1.90 0.02 -0.67 2.41 -1.51 -1.35 0.48 116.25 117.53 3cxc h VAL 73 Ca 0.00 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.57 3cxc h VAL 73 Cb 0.84 0.02 -0.08 0.00 -2.13 0.00 0.00 31.29 29.94 3cxc h VAL 73 CO 0.00 0.00 0.28 0.71 -1.23 0.00 0.00 177.57 177.33 3cxc h THR 74 N -0.32 0.77 0.00 7.19 1.35 -1.89 0.13 112.91 120.14 3cxc h THR 74 Ca 0.10 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3cxc h THR 74 Cb 0.57 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 3cxc h THR 74 CO -0.66 0.09 0.00 0.18 -0.25 0.00 0.00 175.52 174.88 3cxc n LEU 75 N -4.96 0.48 -2.88 3.87 4.77 -0.21 -2.76 117.00 115.32 3cxc n LEU 75 Ca 0.11 0.65 -0.34 0.00 -0.03 0.00 0.00 56.01 56.39 3cxc n LEU 75 Cb 0.30 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3cxc n LEU 75 CO 0.22 -0.60 1.66 0.18 -1.33 0.00 0.00 177.39 177.52 3cxc n LEU 76 N -2.06 7.12 0.02 2.23 4.77 0.47 -4.69 117.00 124.85 3cxc n LEU 76 Ca 0.01 -4.57 0.21 0.00 -0.03 0.00 0.00 56.01 51.64 3cxc n LEU 76 Cb 0.15 -1.19 0.72 0.00 -2.33 0.00 0.00 43.42 40.77 3cxc n LEU 76 CO 0.15 1.82 1.19 0.00 -1.33 0.00 0.00 177.39 179.21 3cxc h ALA 77 N 3.33 2.40 -0.31 -1.18 0.00 -1.67 -1.49 119.26 120.33 3cxc h ALA 77 Ca 0.51 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.20 3cxc h ALA 77 Cb 0.39 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 3cxc h ALA 77 CO 1.17 -0.68 0.26 0.00 0.00 0.00 0.00 179.25 180.00 3cxc n ALA 78 N -2.56 4.40 -3.67 0.00 0.00 -1.26 -4.77 120.51 112.65 3cxc n ALA 78 Ca 0.10 -1.04 -0.10 0.00 0.00 0.00 0.00 53.44 52.39 3cxc n ALA 78 Cb 0.63 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 3cxc n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cxc s ASP 79 N 0.66 -0.18 0.00 0.00 1.01 -0.56 -5.14 116.67 112.46 3cxc s ASP 79 Ca 0.20 0.84 0.00 0.00 0.71 0.00 0.00 52.55 54.29 3cxc s ASP 79 Cb 0.16 0.97 0.00 0.00 1.01 0.00 0.00 42.92 45.06 3cxc s ASP 79 CO 0.01 -0.22 0.00 0.47 0.21 0.00 0.00 175.17 175.64 3cxc n ASP 80 N 4.99 0.00 -4.21 0.27 9.92 -1.25 -4.83 116.55 121.44 3cxc n ASP 80 Ca -0.13 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.85 3cxc n ASP 80 Cb 0.51 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.83 3cxc n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3cxc s VAL 81 N 0.00 1.65 0.00 2.53 1.01 -1.26 -2.21 120.40 122.12 3cxc s VAL 81 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3cxc s VAL 81 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 35.00 3cxc s VAL 81 CO 0.00 0.47 0.00 0.00 0.00 0.00 0.00 175.10 175.57 3cxc n ALA 82 N 2.73 0.00 0.18 5.51 0.00 -1.26 -4.93 120.51 122.73 3cxc n ALA 82 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.35 3cxc n ALA 82 Cb 0.53 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.36 3cxc n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3cxc h GLU 83 N 0.00 0.00 -6.61 0.00 9.09 -2.00 -3.50 114.58 111.56 3cxc h GLU 83 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 58.93 3cxc h GLU 83 Cb 0.00 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.12 3cxc h GLU 83 CO 0.00 0.00 -0.13 -0.06 0.05 0.00 0.00 179.01 178.87 3cxc s PHE 89 N -3.38 3.48 -0.10 2.06 0.40 0.12 -5.06 117.98 115.50 3cxc s PHE 89 Ca -0.02 0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.73 3cxc s PHE 89 Cb 0.04 -2.01 0.03 0.00 0.51 0.00 0.00 43.02 41.59 3cxc s PHE 89 CO 0.13 -0.00 -0.02 0.50 0.70 0.00 0.00 175.22 176.52 3cxc s ARG 90 N -4.42 0.96 -0.01 0.44 3.52 -0.94 0.20 118.95 118.70 3cxc s ARG 90 Ca 0.42 -0.09 0.01 0.00 -0.13 0.00 0.00 55.73 55.94 3cxc s ARG 90 Cb -0.10 -1.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.96 3cxc s ARG 90 CO 0.38 -0.33 -0.05 0.54 -0.81 0.00 0.00 175.30 175.03 3cxc s VAL 91 N 1.86 0.42 -0.58 7.11 0.11 -0.25 -3.82 120.40 125.24 3cxc s VAL 91 Ca 0.04 -0.19 -0.21 0.00 -2.93 0.00 0.00 61.98 58.69 3cxc s VAL 91 Cb -0.13 -0.38 0.07 0.00 -1.53 0.00 0.00 36.38 34.40 3cxc s VAL 91 CO -0.07 0.14 0.83 -0.62 -3.33 0.00 0.00 175.10 172.05 3cxc s ASP 92 N 0.13 6.23 0.28 3.54 -1.08 -1.26 -2.32 116.67 122.19 3cxc s ASP 92 Ca -0.01 -0.88 0.01 0.00 -0.52 0.00 0.00 52.55 51.15 3cxc s ASP 92 Cb -0.05 -2.37 0.68 0.00 -1.46 0.00 0.00 42.92 39.72 3cxc s ASP 92 CO -0.00 -1.19 1.67 0.58 0.52 0.00 0.00 175.17 176.74 3cxc h VAL 93 N 5.95 0.39 -0.65 1.11 2.07 -1.73 0.21 116.25 123.60 3cxc h VAL 93 Ca -0.28 -0.09 0.19 0.00 0.82 0.00 0.00 66.70 67.34 3cxc h VAL 93 Cb 1.08 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3cxc h VAL 93 CO 1.09 0.05 0.78 0.03 0.02 0.00 0.00 177.57 179.53 3cxc h ARG 94 N 0.27 0.00 -0.01 1.57 3.08 -1.92 1.35 114.38 118.73 3cxc h ARG 94 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.58 3cxc h ARG 94 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3cxc h ARG 94 CO -0.59 0.00 -0.49 -0.25 -1.07 0.00 0.00 179.97 177.57 3cxc n ASP 95 N -3.46 1.10 -0.10 7.04 8.00 0.06 -4.37 116.55 124.82 3cxc n ASP 95 Ca 0.14 -0.88 -0.15 0.00 0.71 0.00 0.00 54.79 54.61 3cxc n ASP 95 Cb 1.00 0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 42.43 3cxc n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3cxc n VAL 96 N -0.87 1.49 -1.67 2.53 0.31 0.45 -4.96 118.33 115.61 3cxc n VAL 96 Ca 0.08 0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 64.00 3cxc n VAL 96 Cb 0.37 -2.21 -0.03 0.00 -0.91 0.00 0.00 33.84 31.05 3cxc n VAL 96 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3cxc n VAL 97 N -4.45 0.57 -1.57 2.52 0.31 -0.62 -4.99 118.33 110.09 3cxc n VAL 97 Ca -0.24 -0.10 -0.31 0.00 -0.01 0.00 0.00 64.34 63.68 3cxc n VAL 97 Cb 0.56 -2.14 0.06 0.00 -0.91 0.00 0.00 33.84 31.41 3cxc n VAL 97 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3cxc s GLU 98 N 3.67 2.71 -1.24 5.55 2.02 -1.26 -3.25 118.70 126.89 3cxc s GLU 98 Ca 0.87 0.86 0.00 0.00 0.02 0.00 0.00 54.97 56.72 3cxc s GLU 98 Cb -0.51 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 31.75 3cxc s GLU 98 CO 0.42 -1.24 0.00 0.39 0.02 0.00 0.00 175.26 174.85 3cxc n GLU 99 N -3.21 -0.91 -0.20 1.61 1.02 -1.26 -4.87 120.64 112.82 3cxc n GLU 99 Ca 0.07 0.83 0.03 0.00 -0.02 0.00 0.00 57.16 58.07 3cxc n GLU 99 Cb 0.54 -4.91 0.12 0.00 -0.02 0.00 0.00 31.44 27.17 3cxc n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cxc n ALA 100 N 0.26 2.65 -0.02 0.62 0.00 -1.20 -3.69 120.51 119.13 3cxc n ALA 100 Ca -0.13 -0.52 -0.06 0.00 0.00 0.00 0.00 53.44 52.73 3cxc n ALA 100 Cb 0.48 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 3cxc n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cxc n ASP 101 N 0.23 1.36 -0.17 0.00 8.00 -1.26 -4.53 116.55 120.18 3cxc n ASP 101 Ca 0.09 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.80 3cxc n ASP 101 Cb 0.35 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3cxc n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3cxc n ASP 102 N -3.85 0.24 -4.82 -2.24 5.75 -1.26 -4.73 116.55 105.64 3cxc n ASP 102 Ca -0.09 -1.41 -0.31 0.00 -0.01 0.00 0.00 54.79 52.96 3cxc n ASP 102 Cb 0.31 -0.12 -0.06 0.00 -1.03 0.00 0.00 41.12 40.22 3cxc n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cxc s ALA 103 N -1.66 3.72 -0.83 2.12 0.00 -1.24 -4.96 121.76 118.91 3cxc s ALA 103 Ca 0.00 -0.92 0.25 0.00 0.00 0.00 0.00 51.96 51.29 3cxc s ALA 103 Cb 0.00 -1.60 0.97 0.00 0.00 0.00 0.00 23.12 22.49 3cxc s ALA 103 CO 0.00 0.76 1.78 -3.47 0.00 0.00 0.00 175.76 174.83 3cxc n ASP 104 N 0.57 0.39 0.00 0.00 -0.08 -0.08 -4.92 116.55 112.42 3cxc n ASP 104 Ca -0.08 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 3cxc n ASP 104 Cb 0.52 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 43.33 3cxc n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3cxc n TYR 105 N -1.88 0.00 -3.51 -0.67 0.18 -1.26 -5.00 117.16 105.03 3cxc n TYR 105 Ca 0.05 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.46 3cxc n TYR 105 Cb 0.33 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.23 3cxc n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3cxc s VAL 106 N -2.00 5.19 -0.05 -3.48 1.01 -1.26 -0.10 120.40 119.71 3cxc s VAL 106 Ca 0.00 0.72 0.03 0.00 0.00 0.00 0.00 61.98 62.72 3cxc s VAL 106 Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.71 3cxc s VAL 106 CO 0.00 0.47 -0.12 -0.75 0.00 0.00 0.00 175.10 174.71 3cxc s LYS 107 N -0.27 1.40 -0.08 2.72 2.20 0.15 -1.94 119.74 123.93 3cxc s LYS 107 Ca 0.21 -0.39 -0.16 0.00 -0.36 0.00 0.00 55.97 55.27 3cxc s LYS 107 Cb -0.15 -1.22 -0.05 0.00 -1.51 0.00 0.00 37.83 34.90 3cxc s LYS 107 CO 0.09 0.09 0.40 0.08 -0.36 0.00 0.00 175.35 175.66 3cxc s VAL 108 N 0.39 5.15 0.09 4.02 1.01 0.13 -1.80 120.40 129.39 3cxc s VAL 108 Ca -0.08 0.80 0.06 0.00 0.00 0.00 0.00 61.98 62.76 3cxc s VAL 108 Cb -0.12 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3cxc s VAL 108 CO 0.02 0.46 -0.07 -0.76 0.00 0.00 0.00 175.10 174.74 3cxc s LEU 109 N -0.18 3.15 -1.23 3.92 1.43 0.27 -3.11 118.68 122.93 3cxc s LEU 109 Ca 0.23 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.93 3cxc s LEU 109 Cb -0.15 -1.92 0.20 0.00 0.03 0.00 0.00 46.19 44.35 3cxc s LEU 109 CO 0.10 0.18 1.82 0.61 0.23 0.00 0.00 176.35 179.29 3cxc n GLY 110 N 0.73 4.95 3.18 -3.19 0.00 -1.26 -0.85 105.19 108.74 3cxc n GLY 110 Ca -0.13 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.30 3cxc n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxc s ALA 111 N -0.69 2.44 0.00 4.61 0.00 -1.26 -4.72 121.76 122.15 3cxc s ALA 111 Ca 0.38 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.16 3cxc s ALA 111 Cb 0.09 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.94 3cxc s ALA 111 CO 0.02 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3cxc n GLY 112 N 4.55 -1.49 3.87 0.00 0.00 -1.26 -2.57 105.19 108.28 3cxc n GLY 112 Ca -0.20 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 43.57 3cxc n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cxc s GLN 113 N 0.00 2.51 -0.32 1.61 -0.21 -1.26 -4.87 119.66 117.12 3cxc s GLN 113 Ca 0.00 -1.55 -0.01 0.00 0.02 0.00 0.00 55.36 53.81 3cxc s GLN 113 Cb 0.00 -2.35 0.11 0.00 1.00 0.00 0.00 33.01 31.77 3cxc s GLN 113 CO 0.00 -0.18 0.14 0.08 -2.12 0.00 0.00 175.29 173.21 3cxc s VAL 114 N -2.48 0.52 -0.38 1.09 1.01 -1.26 -4.20 120.40 114.70 3cxc s VAL 114 Ca 0.47 -1.35 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3cxc s VAL 114 Cb -0.03 -1.40 0.61 0.00 0.00 0.00 0.00 36.38 35.57 3cxc s VAL 114 CO 0.27 -0.76 1.59 0.54 0.00 0.00 0.00 175.10 176.74 3cxc n ARG 115 N 4.73 3.36 -3.89 2.72 1.74 -1.26 -4.79 116.66 119.28 3cxc n ARG 115 Ca -0.00 -2.48 -0.09 0.00 -0.77 0.00 0.00 57.85 54.50 3cxc n ARG 115 Cb 0.41 -2.05 -0.07 0.00 -1.02 0.00 0.00 32.46 29.72 3cxc n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3cxc s HIS 116 N -2.49 0.25 -0.45 -1.55 3.76 -1.26 -5.10 115.29 108.44 3cxc s HIS 116 Ca 0.44 -0.63 -0.24 0.00 -0.15 0.00 0.00 55.06 54.48 3cxc s HIS 116 Cb 0.35 -0.02 0.03 0.00 1.11 0.00 0.00 32.58 34.05 3cxc s HIS 116 CO 0.11 -0.67 0.85 -1.83 -0.85 0.00 0.00 174.74 172.35 3cxc s GLU 117 N -3.92 3.48 -0.06 1.40 -1.05 -1.25 -4.78 118.70 112.53 3cxc s GLU 117 Ca 0.12 0.04 0.05 0.00 -0.15 0.00 0.00 54.97 55.02 3cxc s GLU 117 Cb 0.04 -3.93 -0.01 0.00 -0.44 0.00 0.00 34.13 29.79 3cxc s GLU 117 CO -0.05 -1.15 -0.22 -0.51 0.95 0.00 0.00 175.26 174.28 3cxc s LEU 118 N 3.48 2.22 -0.45 1.83 1.43 -1.26 0.13 118.68 126.07 3cxc s LEU 118 Ca 0.33 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 3cxc s LEU 118 Cb -0.11 -1.42 0.11 0.00 0.03 0.00 0.00 46.19 44.79 3cxc s LEU 118 CO 0.24 0.25 0.30 -0.89 0.23 0.00 0.00 176.35 176.47 3cxc s THR 119 N -0.18 4.06 -0.12 5.49 2.01 0.13 0.22 115.64 127.25 3cxc s THR 119 Ca -0.03 -1.72 -0.05 0.00 0.31 0.00 0.00 61.69 60.21 3cxc s THR 119 Cb -0.14 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3cxc s THR 119 CO 0.04 -0.68 0.06 -0.76 -0.69 0.00 0.00 174.62 172.58 3cxc s LEU 120 N 1.34 3.90 -0.25 4.42 1.43 0.18 -1.09 118.68 128.61 3cxc s LEU 120 Ca 0.05 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 3cxc s LEU 120 Cb -0.25 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 44.10 3cxc s LEU 120 CO -0.01 0.34 -0.09 -0.63 0.23 0.00 0.00 176.35 176.20 3cxc s ILE 121 N -0.64 1.92 0.08 -0.59 1.01 -0.98 0.77 121.20 122.77 3cxc s ILE 121 Ca 0.11 -1.45 -0.05 0.00 0.00 0.00 0.00 60.65 59.26 3cxc s ILE 121 Cb -0.12 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 3cxc s ILE 121 CO 0.02 -0.04 0.11 0.00 0.00 0.00 0.00 174.94 175.04 3cxc s ALA 122 N 1.22 0.11 0.37 9.38 0.00 -1.00 -1.73 121.76 130.11 3cxc s ALA 122 Ca -0.07 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.06 3cxc s ALA 122 Cb -0.19 0.45 0.71 0.00 0.00 0.00 0.00 23.12 24.09 3cxc s ALA 122 CO -0.06 -0.47 1.92 -0.44 0.00 0.00 0.00 175.76 176.72 3cxc h ASP 123 N 2.89 0.40 -5.02 0.00 3.32 -1.80 -2.50 116.42 113.71 3cxc h ASP 123 Ca -0.34 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 3cxc h ASP 123 Cb 1.18 -0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.48 3cxc h ASP 123 CO 0.59 0.46 0.08 -0.62 -1.72 0.00 0.00 179.24 178.04 3cxc s ASP 124 N -6.78 -0.46 0.08 6.45 2.15 -0.82 -4.00 116.67 113.29 3cxc s ASP 124 Ca -0.07 0.10 0.01 0.00 0.43 0.00 0.00 52.55 53.01 3cxc s ASP 124 Cb 0.16 0.52 -0.04 0.00 -0.30 0.00 0.00 42.92 43.26 3cxc s ASP 124 CO 0.75 -0.80 -0.05 -0.36 -0.17 0.00 0.00 175.17 174.53 3cxc s PHE 125 N -2.92 0.75 0.29 -5.34 0.40 -1.26 -0.70 117.98 109.21 3cxc s PHE 125 Ca -0.03 -0.95 0.07 0.00 -0.60 0.00 0.00 56.93 55.42 3cxc s PHE 125 Cb -0.00 -0.47 -0.03 0.00 0.51 0.00 0.00 43.02 43.03 3cxc s PHE 125 CO -0.06 -0.22 0.26 -1.54 0.70 0.00 0.00 175.22 174.36 3cxc s SER 126 N -2.94 5.49 0.10 1.36 1.04 -1.18 -4.96 113.70 112.61 3cxc s SER 126 Ca 0.09 -0.33 -0.26 0.00 0.48 0.00 0.00 55.95 55.93 3cxc s SER 126 Cb 0.06 -1.24 -0.09 0.00 0.10 0.00 0.00 66.02 64.84 3cxc s SER 126 CO -0.06 -0.19 1.43 -0.33 0.98 0.00 0.00 173.24 175.07 3cxc h GLU 127 N 1.35 -0.38 -1.01 4.02 5.08 -2.00 -0.90 114.58 120.74 3cxc h GLU 127 Ca -0.47 0.03 0.24 0.00 -1.00 0.00 0.00 59.36 58.15 3cxc h GLU 127 Cb 1.25 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.48 3cxc h GLU 127 CO 0.59 -0.25 0.63 0.78 -1.00 0.00 0.00 179.01 179.76 3cxc h GLY 128 N -0.39 1.51 0.91 -3.84 0.00 -1.96 -0.82 103.07 98.48 3cxc h GLY 128 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 3cxc h GLY 128 CO -0.40 -0.14 -0.16 0.00 0.00 0.00 0.00 176.54 175.84 3cxc h ALA 129 N 1.66 -0.45 0.05 3.60 0.00 -1.49 -2.09 119.26 120.54 3cxc h ALA 129 Ca 0.59 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 3cxc h ALA 129 Cb 1.26 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 3cxc h ALA 129 CO -0.36 -0.70 -0.04 0.00 0.00 0.00 0.00 179.25 178.15 3cxc h ARG 130 N -0.55 -0.08 -0.59 0.00 3.08 -0.15 -1.90 114.38 114.19 3cxc h ARG 130 Ca -0.05 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.06 3cxc h ARG 130 Cb 0.41 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.41 3cxc h ARG 130 CO 0.08 -0.06 -0.35 0.39 -1.07 0.00 0.00 179.97 178.96 3cxc n GLU 131 N -2.47 -0.26 -0.19 0.04 1.02 -0.54 -0.43 120.64 117.82 3cxc n GLU 131 Ca -0.01 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 3cxc n GLU 131 Cb 0.04 -1.60 0.10 0.00 -0.02 0.00 0.00 31.44 29.95 3cxc n GLU 131 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3cxc h LYS 132 N 0.00 0.23 -0.59 3.49 1.57 -1.37 0.33 116.57 120.22 3cxc h LYS 132 Ca 0.09 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3cxc h LYS 132 Cb 0.24 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3cxc h LYS 132 CO -0.55 0.15 0.28 0.28 -0.57 0.00 0.00 179.45 179.04 3cxc h VAL 133 N 0.24 1.21 -0.21 0.50 2.07 0.10 -2.92 116.25 117.24 3cxc h VAL 133 Ca 0.30 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 3cxc h VAL 133 Cb 0.45 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3cxc h VAL 133 CO -0.40 0.25 -0.12 -0.33 0.02 0.00 0.00 177.57 176.98 3cxc h GLU 134 N 0.81 0.46 0.00 1.57 5.08 -0.31 0.56 114.58 122.75 3cxc h GLU 134 Ca 0.20 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3cxc h GLU 134 Cb 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3cxc h GLU 134 CO -0.02 0.75 0.00 0.41 -1.00 0.00 0.00 179.01 179.15 3cxc n GLY 135 N 0.02 -0.19 0.58 -3.84 0.00 0.11 0.45 105.19 102.31 3cxc n GLY 135 Ca -0.05 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.03 3cxc n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxc n ALA 136 N -1.08 2.83 -2.99 4.61 0.00 -1.11 -4.91 120.51 117.86 3cxc n ALA 136 Ca 0.02 -2.53 -0.12 0.00 0.00 0.00 0.00 53.44 50.81 3cxc n ALA 136 Cb 0.02 -0.57 0.05 0.00 0.00 0.00 0.00 19.45 18.95 3cxc n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxc n GLY 137 N -0.94 -0.02 3.69 0.00 0.00 0.17 -3.83 105.19 104.25 3cxc n GLY 137 Ca 0.20 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3cxc n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cxc s GLY 138 N -3.60 2.93 0.03 -0.02 0.00 0.17 -4.37 107.32 102.47 3cxc s GLY 138 Ca 0.13 -0.56 -0.03 0.00 0.00 0.00 0.00 44.72 44.27 3cxc s GLY 138 CO 0.45 -2.08 0.04 -1.35 0.00 0.00 0.00 173.10 170.15 3cxc s SER 139 N -3.80 0.24 -0.20 1.64 1.04 0.13 -3.92 113.70 108.83 3cxc s SER 139 Ca 0.10 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.96 3cxc s SER 139 Cb 0.01 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.35 3cxc s SER 139 CO 0.06 -0.45 -0.11 -0.69 0.98 0.00 0.00 173.24 173.03 3cxc s VAL 140 N -2.39 1.75 -0.21 5.02 1.01 -1.26 -0.65 120.40 123.67 3cxc s VAL 140 Ca -0.07 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 3cxc s VAL 140 Cb -0.03 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3cxc s VAL 140 CO -0.04 0.18 0.09 -1.61 0.00 0.00 0.00 175.10 173.73 3cxc s GLU 141 N 1.35 3.97 -0.18 2.72 2.02 0.23 -4.97 118.70 123.84 3cxc s GLU 141 Ca -0.02 -0.33 -0.22 0.00 0.02 0.00 0.00 54.97 54.42 3cxc s GLU 141 Cb -0.16 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.71 3cxc s GLU 141 CO -0.08 0.15 0.68 -1.17 0.02 0.00 0.00 175.26 174.87 3cxc s LEU 142 N 0.73 4.16 1.05 1.80 2.96 -1.26 -2.39 118.68 125.74 3cxc s LEU 142 Ca 0.05 0.94 -0.14 0.00 -0.22 0.00 0.00 54.13 54.76 3cxc s LEU 142 Cb -0.13 -2.99 0.14 0.00 0.50 0.00 0.00 46.19 43.71 3cxc s LEU 142 CO 0.02 -0.29 0.55 0.41 -1.32 0.00 0.00 176.35 175.72 3cxc n THR 143 N 4.63 0.00 -0.23 3.68 -1.04 -0.94 -4.74 114.28 115.64 3cxc n THR 143 Ca 0.00 -0.26 -0.04 0.00 -2.04 0.00 0.00 64.05 61.72 3cxc n THR 143 Cb 0.50 -0.77 0.13 0.00 -1.82 0.00 0.00 70.33 68.37 3cxc n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3cxc h ASP 144 N -2.06 0.96 -0.83 8.00 3.32 -1.96 0.34 116.42 124.19 3cxc h ASP 144 Ca -0.51 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.37 3cxc h ASP 144 Cb 1.32 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 3cxc h ASP 144 CO 0.40 0.86 0.40 0.25 -1.72 0.00 0.00 179.24 179.43 3cxc h LEU 145 N 1.02 1.09 -0.31 1.55 6.46 -1.93 0.21 115.31 123.41 3cxc h LEU 145 Ca 0.24 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 3cxc h LEU 145 Cb 0.20 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 3cxc h LEU 145 CO -0.02 0.92 0.04 0.61 -0.62 0.00 0.00 178.44 179.37 3cxc n GLY 146 N -1.01 -0.54 1.75 3.75 0.00 0.11 -2.86 105.19 106.40 3cxc n GLY 146 Ca 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 3cxc n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cxc n GLU 147 N -1.64 1.05 -2.46 1.61 1.02 0.75 -3.93 120.64 117.04 3cxc n GLU 147 Ca -0.00 -0.25 -0.20 0.00 -0.02 0.00 0.00 57.16 56.69 3cxc n GLU 147 Cb 0.05 -1.34 0.02 0.00 -0.02 0.00 0.00 31.44 30.14 3cxc n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3cxc n GLU 148 N 1.90 2.78 -3.87 3.49 1.02 -1.13 -4.97 120.64 119.87 3cxc n GLU 148 Ca 0.11 -4.06 -0.29 0.00 -0.02 0.00 0.00 57.16 52.90 3cxc n GLU 148 Cb 0.50 -1.97 -0.13 0.00 -0.02 0.00 0.00 31.44 29.83 3cxc n GLU 148 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3cxc s ARG 149 N -3.48 2.08 0.00 3.49 0.52 -1.25 -5.21 118.95 115.09 3cxc s ARG 149 Ca 0.42 -2.88 0.00 0.00 -0.52 0.00 0.00 55.73 52.75 3cxc s ARG 149 Cb 0.41 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.73 3cxc s ARG 149 CO -0.08 -1.22 0.00 0.94 0.02 0.00 0.00 175.30 174.97