#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc n HIS 11 N 0.00 -1.39 0.00 2.97 1.44 -1.26 -3.64 115.22 113.33 3cxc n HIS 11 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3cxc n HIS 11 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3cxc n HIS 11 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 3cxc n GLU 12 N -0.87 0.00 -0.28 -1.40 2.13 -1.26 -3.99 120.64 114.97 3cxc n GLU 12 Ca 0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 3cxc n GLU 12 Cb 0.00 -0.21 0.25 0.00 0.27 0.00 0.00 31.44 31.75 3cxc n GLU 12 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3cxc n MET 13 N 0.00 2.67 0.00 5.31 2.81 -1.24 -4.22 117.12 122.46 3cxc n MET 13 Ca 0.00 -2.40 0.00 0.00 -1.81 0.00 0.00 57.70 53.49 3cxc n MET 13 Cb 0.00 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 3cxc n MET 13 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3cxc n ARG 14 N 1.28 1.91 -2.17 0.03 5.12 -1.25 -4.28 116.66 117.29 3cxc n ARG 14 Ca 0.20 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.70 3cxc n ARG 14 Cb 0.56 -0.84 -0.03 0.00 -1.16 0.00 0.00 32.46 30.98 3cxc n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 3cxc s GLU 15 N -1.39 4.31 0.96 5.56 -1.05 -1.26 -4.82 118.70 121.00 3cxc s GLU 15 Ca 0.00 2.07 -0.21 0.00 -0.15 0.00 0.00 54.97 56.68 3cxc s GLU 15 Cb 0.00 -3.32 -0.08 0.00 -0.44 0.00 0.00 34.13 30.29 3cxc s GLU 15 CO 0.00 -0.47 -0.86 -2.30 0.95 0.00 0.00 175.26 172.57 3cxc n PRO 16 N 4.28 -0.54 -3.55 -4.83 -0.02 -1.26 -4.52 135.00 124.56 3cxc n PRO 16 Ca 0.12 -0.16 -0.07 0.00 -2.02 0.00 0.00 63.50 61.37 3cxc n PRO 16 Cb 0.42 -1.19 -0.02 0.00 -0.02 0.00 0.00 33.50 32.69 3cxc n PRO 16 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3cxc s ARG 17 N -2.43 0.60 -0.21 -0.52 1.70 -0.91 -4.94 118.95 112.24 3cxc s ARG 17 Ca 0.35 -0.18 -0.15 0.00 -0.47 0.00 0.00 55.73 55.28 3cxc s ARG 17 Cb 0.03 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 3cxc s ARG 17 CO 0.54 -0.25 0.35 0.42 -1.08 0.00 0.00 175.30 175.28 3cxc s ILE 18 N -2.64 5.23 -0.28 4.99 1.01 -1.26 -2.33 121.20 125.92 3cxc s ILE 18 Ca 0.06 0.61 0.03 0.00 0.00 0.00 0.00 60.65 61.35 3cxc s ILE 18 Cb -0.01 -3.69 0.07 0.00 0.01 0.00 0.00 42.46 38.85 3cxc s ILE 18 CO -0.06 0.27 -0.04 -0.70 0.00 0.00 0.00 174.94 174.40 3cxc s GLU 19 N 1.26 1.84 0.49 2.79 2.12 0.86 -4.70 118.70 123.35 3cxc s GLU 19 Ca 0.17 -1.41 0.00 0.00 0.36 0.00 0.00 54.97 54.08 3cxc s GLU 19 Cb -0.14 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.37 3cxc s GLU 19 CO 0.07 -0.70 0.00 0.36 -0.54 0.00 0.00 175.26 174.45 3cxc n LYS 20 N 4.45 -4.91 -3.84 4.30 2.85 -1.21 -3.74 118.16 116.06 3cxc n LYS 20 Ca -0.08 3.62 -0.28 0.00 -1.05 0.00 0.00 58.31 60.52 3cxc n LYS 20 Cb 0.42 -4.07 -0.16 0.00 -0.65 0.00 0.00 35.03 30.57 3cxc n LYS 20 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3cxc s VAL 21 N -3.02 0.94 -0.21 0.58 1.01 -0.20 -1.88 120.40 117.62 3cxc s VAL 21 Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 3cxc s VAL 21 Cb 0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3cxc s VAL 21 CO 0.00 -0.04 0.48 -0.69 0.00 0.00 0.00 175.10 174.85 3cxc s VAL 22 N 1.69 5.13 -0.23 2.92 1.01 -0.52 -1.59 120.40 128.81 3cxc s VAL 22 Ca -0.01 0.86 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 3cxc s VAL 22 Cb -0.16 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.42 3cxc s VAL 22 CO -0.07 0.19 -0.05 0.68 0.00 0.00 0.00 175.10 175.85 3cxc s VAL 23 N 1.60 3.19 0.00 2.92 -7.23 -0.07 -0.60 120.40 120.22 3cxc s VAL 23 Ca 0.22 -0.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.68 3cxc s VAL 23 Cb -0.15 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 3cxc s VAL 23 CO 0.09 0.34 0.03 -2.28 -0.31 0.00 0.00 175.10 172.96 3cxc s HIS 24 N 1.42 0.10 -0.26 2.82 5.04 -0.37 0.30 115.29 124.34 3cxc s HIS 24 Ca 0.04 -0.21 -0.03 0.00 -1.54 0.00 0.00 55.06 53.32 3cxc s HIS 24 Cb -0.15 -0.09 0.02 0.00 0.04 0.00 0.00 32.58 32.40 3cxc s HIS 24 CO -0.04 -0.14 -0.02 -1.64 -2.34 0.00 0.00 174.74 170.57 3cxc s MET 25 N -0.85 2.93 -1.28 2.88 -1.94 -0.82 -1.06 119.30 119.17 3cxc s MET 25 Ca -0.09 -0.93 -0.12 0.00 -1.71 0.00 0.00 55.69 52.84 3cxc s MET 25 Cb -0.06 -3.11 0.15 0.00 2.01 0.00 0.00 34.83 33.82 3cxc s MET 25 CO -0.00 -0.41 1.76 0.41 -0.01 0.00 0.00 175.02 176.77 3cxc n GLY 26 N 4.73 4.16 1.65 -0.03 0.00 -1.26 -3.19 105.19 111.25 3cxc n GLY 26 Ca -0.16 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.74 3cxc n GLY 26 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3cxc n ILE 27 N 4.07 0.00 -1.73 -0.61 5.41 -1.25 -4.99 119.36 120.27 3cxc n ILE 27 Ca 0.40 -0.28 0.05 0.00 1.00 0.00 0.00 62.75 63.93 3cxc n ILE 27 Cb 0.39 -1.26 0.18 0.00 -0.71 0.00 0.00 39.64 38.24 3cxc n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cxc n GLY 28 N -0.40 4.65 0.00 7.39 0.00 -1.26 -4.56 105.19 111.02 3cxc n GLY 28 Ca 0.07 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3cxc n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3cxc n HIS 29 N -0.91 0.00 -2.60 1.61 -0.00 -1.26 -4.96 115.22 107.10 3cxc n HIS 29 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 3cxc n HIS 29 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.75 3cxc n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3cxc n ALA 35 N 0.00 0.00 -0.34 1.59 0.00 -1.26 -4.71 120.51 115.79 3cxc n ALA 35 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.79 3cxc n ALA 35 Cb 0.00 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.00 3cxc n ALA 35 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3cxc h ASN 36 N 0.00 0.00 -0.74 0.00 -1.07 -2.04 0.30 115.58 112.04 3cxc h ASN 36 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 56.30 56.49 3cxc h ASN 36 Cb 0.00 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.20 3cxc h ASN 36 CO 0.00 0.00 0.49 0.00 0.07 0.00 0.00 177.43 177.99 3cxc h ALA 37 N 0.69 1.94 -0.93 4.14 0.00 -2.02 -2.95 119.26 120.13 3cxc h ALA 37 Ca 0.60 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.73 3cxc h ALA 37 Cb 3.10 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 20.61 3cxc h ALA 37 CO -0.01 -0.12 -0.12 0.39 0.00 0.00 0.00 179.25 179.40 3cxc n GLU 38 N -4.49 -0.08 -0.24 0.00 1.02 0.11 -1.00 120.64 115.95 3cxc n GLU 38 Ca 0.13 1.42 -0.00 0.00 -0.02 0.00 0.00 57.16 58.69 3cxc n GLU 38 Cb 0.42 -2.18 0.07 0.00 -0.02 0.00 0.00 31.44 29.72 3cxc n GLU 38 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3cxc h ASP 39 N 0.00 -0.73 -0.69 1.62 3.32 -1.76 -0.69 116.42 117.49 3cxc h ASP 39 Ca 0.50 0.22 -0.08 0.00 0.02 0.00 0.00 57.03 57.69 3cxc h ASP 39 Cb 0.90 0.46 -0.03 0.00 0.22 0.00 0.00 39.33 40.88 3cxc h ASP 39 CO -0.92 -0.24 0.13 0.16 -1.72 0.00 0.00 179.24 176.64 3cxc h ILE 40 N -0.02 1.26 -0.84 0.35 3.07 -1.29 -2.56 117.51 117.48 3cxc h ILE 40 Ca 0.33 -1.03 -0.03 0.00 1.55 0.00 0.00 64.86 65.67 3cxc h ILE 40 Cb 0.52 0.60 -0.04 0.00 -0.27 0.00 0.00 36.82 37.64 3cxc h ILE 40 CO -0.73 0.39 0.39 -0.07 -1.05 0.00 0.00 178.15 177.08 3cxc h LEU 41 N 1.05 1.11 -1.15 0.16 3.38 -1.19 0.34 115.31 119.01 3cxc h LEU 41 Ca 0.21 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3cxc h LEU 41 Cb 0.43 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3cxc h LEU 41 CO 0.01 0.95 0.47 1.23 0.09 0.00 0.00 178.44 181.19 3cxc h GLY 42 N 1.21 1.12 0.47 0.83 0.00 -0.86 -0.68 103.07 105.16 3cxc h GLY 42 Ca 0.29 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 3cxc h GLY 42 CO -0.03 0.45 -0.48 0.83 0.00 0.00 0.00 176.54 177.30 3cxc h GLU 43 N 1.07 0.21 0.00 4.80 5.08 -1.06 -0.42 114.58 124.25 3cxc h GLU 43 Ca 0.28 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3cxc h GLU 43 Cb -0.05 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3cxc h GLU 43 CO -0.05 1.12 0.00 0.97 -1.00 0.00 0.00 179.01 180.04 3cxc h ILE 44 N -0.55 0.00 0.00 3.13 2.10 -0.15 -3.34 117.51 118.70 3cxc h ILE 44 Ca -0.08 -0.01 -0.02 0.00 1.08 0.00 0.00 64.86 65.84 3cxc h ILE 44 Cb 1.34 1.00 -0.00 0.00 -1.09 0.00 0.00 36.82 38.07 3cxc h ILE 44 CO 0.09 0.00 -0.44 0.35 -1.08 0.00 0.00 178.15 177.08 3cxc n THR 45 N -3.07 1.21 0.00 2.19 -2.24 -0.28 -4.95 114.28 107.14 3cxc n THR 45 Ca -0.03 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 3cxc n THR 45 Cb 0.07 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 3cxc n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cxc n GLY 46 N 2.85 0.39 3.34 3.38 0.00 -0.17 -4.93 105.19 110.05 3cxc n GLY 46 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 3cxc n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3cxc s GLN 47 N 0.00 1.11 0.22 1.61 -2.07 -1.23 -5.04 119.66 114.25 3cxc s GLN 47 Ca 0.00 -0.95 -0.32 0.00 -1.82 0.00 0.00 55.36 52.27 3cxc s GLN 47 Cb 0.00 0.42 -0.13 0.00 -1.09 0.00 0.00 33.01 32.21 3cxc s GLN 47 CO 0.00 -0.42 1.50 -1.33 -1.32 0.00 0.00 175.29 173.72 3cxc n MET 48 N -0.21 2.19 -1.84 9.60 2.81 -1.26 -4.40 117.12 124.01 3cxc n MET 48 Ca -0.12 0.78 -0.29 0.00 -1.81 0.00 0.00 57.70 56.26 3cxc n MET 48 Cb 0.63 -2.50 0.15 0.00 -0.71 0.00 0.00 33.22 30.78 3cxc n MET 48 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3cxc s PRO 49 N 0.03 1.13 -0.04 0.03 0.02 -1.26 -4.87 135.00 130.03 3cxc s PRO 49 Ca 0.71 -0.12 0.03 0.00 0.02 0.00 0.00 61.00 61.64 3cxc s PRO 49 Cb -0.63 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.02 3cxc s PRO 49 CO 0.45 -2.13 -0.13 0.08 -0.33 0.00 0.00 177.00 174.94 3cxc s VAL 50 N -3.67 1.13 0.89 3.83 1.01 0.03 -4.90 120.40 118.71 3cxc s VAL 50 Ca 0.68 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 3cxc s VAL 50 Cb -0.08 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.33 3cxc s VAL 50 CO 0.52 0.34 0.52 0.54 0.00 0.00 0.00 175.10 177.02 3cxc n ARG 51 N 3.36 -0.13 -3.67 2.72 5.12 -1.26 -1.76 116.66 121.04 3cxc n ARG 51 Ca -0.19 0.01 -0.29 0.00 -1.93 0.00 0.00 57.85 55.45 3cxc n ARG 51 Cb 0.53 -1.91 -0.12 0.00 -1.16 0.00 0.00 32.46 29.79 3cxc n ARG 51 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3cxc s THR 52 N -2.28 1.34 0.95 0.55 2.01 0.36 -4.75 115.64 113.82 3cxc s THR 52 Ca 0.60 -2.73 -0.11 0.00 0.31 0.00 0.00 61.69 59.76 3cxc s THR 52 Cb -0.25 -1.93 0.16 0.00 0.01 0.00 0.00 72.50 70.49 3cxc s THR 52 CO 0.64 -0.97 1.09 -0.54 -0.69 0.00 0.00 174.62 174.15 3cxc s LYS 53 N 0.12 0.78 0.33 4.92 1.02 -1.25 -1.15 119.74 124.51 3cxc s LYS 53 Ca 0.21 1.06 0.08 0.00 0.02 0.00 0.00 55.97 57.34 3cxc s LYS 53 Cb -0.17 -1.74 -0.06 0.00 -0.52 0.00 0.00 37.83 35.34 3cxc s LYS 53 CO -0.05 -2.63 -0.05 0.00 -0.92 0.00 0.00 175.35 171.69 3cxc s ALA 54 N -2.74 2.69 0.18 5.17 0.00 -1.12 -4.83 121.76 121.11 3cxc s ALA 54 Ca 0.65 -2.04 0.10 0.00 0.00 0.00 0.00 51.96 50.67 3cxc s ALA 54 Cb -0.21 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 3cxc s ALA 54 CO 0.59 -0.04 -0.14 0.15 0.00 0.00 0.00 175.76 176.32 3cxc s LYS 55 N -3.69 1.88 0.29 0.00 1.02 -1.26 -4.20 119.74 113.77 3cxc s LYS 55 Ca 0.32 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.97 3cxc s LYS 55 Cb 0.04 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3cxc s LYS 55 CO 0.15 0.43 0.00 0.54 -0.92 0.00 0.00 175.35 175.54 3cxc n ARG 56 N 0.16 -1.62 -4.21 1.68 1.74 -1.26 -4.93 116.66 108.21 3cxc n ARG 56 Ca -0.12 1.32 -0.34 0.00 -0.77 0.00 0.00 57.85 57.94 3cxc n ARG 56 Cb 0.55 -1.83 -0.11 0.00 -1.02 0.00 0.00 32.46 30.05 3cxc n ARG 56 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cxc s THR 57 N -3.80 4.32 0.07 0.55 2.01 -1.26 -4.65 115.64 112.88 3cxc s THR 57 Ca 0.00 -0.20 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 3cxc s THR 57 Cb 0.00 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3cxc s THR 57 CO 0.00 0.48 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.68 3cxc s VAL 58 N 0.37 0.34 0.42 3.82 1.01 0.75 -4.91 120.40 122.19 3cxc s VAL 58 Ca -0.01 -1.85 0.16 0.00 0.00 0.00 0.00 61.98 60.29 3cxc s VAL 58 Cb -0.13 -1.60 0.36 0.00 0.00 0.00 0.00 36.38 35.01 3cxc s VAL 58 CO 0.02 -0.93 1.89 1.23 0.00 0.00 0.00 175.10 177.31 3cxc h GLY 59 N 3.08 0.79 -5.05 4.51 0.00 -2.00 -2.67 103.07 101.74 3cxc h GLY 59 Ca -0.34 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 3cxc h GLY 59 CO 0.65 0.04 0.80 -1.84 0.00 0.00 0.00 176.54 176.19 3cxc n GLU 60 N -4.49 0.78 -1.90 4.80 0.28 -1.26 -4.42 120.64 114.42 3cxc n GLU 60 Ca 0.17 -0.55 0.00 0.00 -0.16 0.00 0.00 57.16 56.62 3cxc n GLU 60 Cb 0.60 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.61 3cxc n GLU 60 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3cxc n PHE 61 N 3.45 -1.41 -3.45 -1.84 -0.00 -1.21 -4.76 117.46 108.23 3cxc n PHE 61 Ca 0.17 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.29 3cxc n PHE 61 Cb 0.20 -0.72 -0.06 0.00 -0.00 0.00 0.00 39.48 38.90 3cxc n PHE 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3cxc n ASP 62 N -1.01 4.32 -0.07 -2.13 2.03 -1.01 -4.76 116.55 113.92 3cxc n ASP 62 Ca 0.00 -3.34 -0.12 0.00 0.52 0.00 0.00 54.79 51.84 3cxc n ASP 62 Cb 0.35 -0.89 -0.14 0.00 -0.72 0.00 0.00 41.12 39.71 3cxc n ASP 62 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3cxc n ILE 63 N 1.41 1.51 -1.66 5.18 -5.35 -1.25 -0.17 119.36 119.02 3cxc n ILE 63 Ca 0.26 -0.76 -0.48 0.00 -0.27 0.00 0.00 62.75 61.50 3cxc n ILE 63 Cb 0.38 -0.94 -0.05 0.00 -1.74 0.00 0.00 39.64 37.29 3cxc n ILE 63 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3cxc n ARG 64 N -3.01 1.98 0.00 6.28 0.63 -1.26 -4.19 116.66 117.10 3cxc n ARG 64 Ca -0.31 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 3cxc n ARG 64 Cb 1.09 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 31.51 3cxc n ARG 64 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3cxc n GLU 65 N 3.98 0.00 -2.57 -0.14 2.13 -1.26 -4.53 120.64 118.24 3cxc n GLU 65 Ca 0.19 0.34 -0.42 0.00 0.66 0.00 0.00 57.16 57.92 3cxc n GLU 65 Cb 0.27 -0.95 -0.03 0.00 0.27 0.00 0.00 31.44 31.00 3cxc n GLU 65 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3cxc s GLY 66 N -1.45 1.04 -0.28 8.31 0.00 -1.26 -2.77 107.32 110.91 3cxc s GLY 66 Ca 0.00 -1.02 -0.16 0.00 0.00 0.00 0.00 44.72 43.54 3cxc s GLY 66 CO 0.00 2.56 0.72 0.51 0.00 0.00 0.00 173.10 176.89 3cxc s ASP 67 N 3.24 -0.91 0.08 1.64 1.47 -1.26 -4.96 116.67 115.96 3cxc s ASP 67 Ca 0.40 1.44 -0.33 0.00 1.18 0.00 0.00 52.55 55.24 3cxc s ASP 67 Cb -0.08 1.44 -0.12 0.00 -0.34 0.00 0.00 42.92 43.82 3cxc s ASP 67 CO 0.22 -0.23 1.74 -2.65 0.68 0.00 0.00 175.17 174.93 3cxc n PRO 68 N 4.34 2.34 -2.71 2.11 -0.02 -1.26 -3.47 135.00 136.32 3cxc n PRO 68 Ca -0.19 0.85 -0.06 0.00 -2.02 0.00 0.00 63.50 62.08 3cxc n PRO 68 Cb 0.58 -2.68 0.07 0.00 -0.02 0.00 0.00 33.50 31.46 3cxc n PRO 68 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3cxc n ILE 69 N 4.29 0.63 0.00 4.25 5.41 -0.30 -4.29 119.36 129.35 3cxc n ILE 69 Ca 0.19 -2.30 0.00 0.00 1.00 0.00 0.00 62.75 61.64 3cxc n ILE 69 Cb 0.31 0.93 0.00 0.00 -0.71 0.00 0.00 39.64 40.18 3cxc n ILE 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cxc n GLY 70 N -0.53 1.89 3.46 7.39 0.00 -1.25 -3.82 105.19 112.33 3cxc n GLY 70 Ca 0.01 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 3cxc n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxc s ALA 71 N -1.50 0.36 0.15 4.61 0.00 -1.19 0.13 121.76 124.33 3cxc s ALA 71 Ca 0.00 -1.24 -0.15 0.00 0.00 0.00 0.00 51.96 50.58 3cxc s ALA 71 Cb 0.00 1.18 0.02 0.00 0.00 0.00 0.00 23.12 24.32 3cxc s ALA 71 CO 0.00 -0.77 0.40 -1.59 0.00 0.00 0.00 175.76 173.81 3cxc s LYS 72 N -3.89 1.17 -0.08 0.00 -2.85 -0.72 -1.94 119.74 111.43 3cxc s LYS 72 Ca 0.29 -0.86 -0.03 0.00 -1.00 0.00 0.00 55.97 54.37 3cxc s LYS 72 Cb 0.02 0.46 0.04 0.00 -2.06 0.00 0.00 37.83 36.29 3cxc s LYS 72 CO 0.12 -0.46 0.14 0.08 0.10 0.00 0.00 175.35 175.33 3cxc s VAL 73 N -3.86 -0.23 -0.35 1.79 1.01 0.15 -0.79 120.40 118.12 3cxc s VAL 73 Ca 0.08 0.36 -0.16 0.00 0.00 0.00 0.00 61.98 62.25 3cxc s VAL 73 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 3cxc s VAL 73 CO -0.07 0.15 0.42 0.42 0.00 0.00 0.00 175.10 176.02 3cxc s THR 74 N 2.21 5.11 -0.17 3.92 -4.23 -1.26 -0.89 115.64 120.33 3cxc s THR 74 Ca 0.03 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 60.59 3cxc s THR 74 Cb -0.12 -3.89 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 3cxc s THR 74 CO -0.05 -0.16 0.01 -0.76 -0.54 0.00 0.00 174.62 173.11 3cxc s LEU 75 N 2.15 3.51 0.08 4.79 1.43 -0.62 -4.89 118.68 125.14 3cxc s LEU 75 Ca 0.14 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 3cxc s LEU 75 Cb -0.16 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3cxc s LEU 75 CO 0.12 0.17 -0.22 -0.13 0.23 0.00 0.00 176.35 176.53 3cxc s ARG 76 N 0.35 1.29 5.97 1.70 0.52 -1.26 -1.04 118.95 126.49 3cxc s ARG 76 Ca -0.01 -1.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 3cxc s ARG 76 Cb -0.13 -1.52 0.00 0.00 0.52 0.00 0.00 34.95 33.81 3cxc s ARG 76 CO 0.02 0.37 0.00 -0.25 0.02 0.00 0.00 175.30 175.46 3cxc n ASP 77 N 1.38 0.00 -0.13 0.23 8.00 -1.26 -3.26 116.55 121.52 3cxc n ASP 77 Ca -0.18 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.24 3cxc n ASP 77 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.64 3cxc n ASP 77 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3cxc h GLU 78 N 0.00 0.49 -1.07 -1.24 5.08 -1.99 -1.49 114.58 114.35 3cxc h GLU 78 Ca 0.00 -0.03 0.35 0.00 -1.00 0.00 0.00 59.36 58.68 3cxc h GLU 78 Cb 0.00 -0.11 -0.14 0.00 0.50 0.00 0.00 28.75 29.00 3cxc h GLU 78 CO 0.00 0.32 0.64 0.52 -1.00 0.00 0.00 179.01 179.49 3cxc h MET 79 N 0.50 0.25 -0.02 2.33 2.86 -1.94 0.17 114.93 119.08 3cxc h MET 79 Ca 0.16 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 3cxc h MET 79 Cb -0.02 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.60 3cxc h MET 79 CO -0.06 0.16 -0.41 0.00 1.06 0.00 0.00 176.91 177.67 3cxc h ALA 80 N 1.78 0.07 0.54 6.32 0.00 -1.38 -3.14 119.26 123.47 3cxc h ALA 80 Ca 0.75 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3cxc h ALA 80 Cb 1.90 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.71 3cxc h ALA 80 CO -0.54 0.22 -0.26 0.93 0.00 0.00 0.00 179.25 179.59 3cxc h GLU 81 N -0.26 -0.70 -0.76 0.00 5.08 -0.28 0.09 114.58 117.74 3cxc h GLU 81 Ca -0.05 0.05 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 3cxc h GLU 81 Cb 1.12 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 3cxc h GLU 81 CO 0.08 -0.47 0.97 0.93 -1.00 0.00 0.00 179.01 179.52 3cxc h GLU 82 N -0.84 0.00 0.00 2.33 5.08 -0.96 1.45 114.58 121.64 3cxc h GLU 82 Ca -0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3cxc h GLU 82 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3cxc h GLU 82 CO 0.12 0.00 -0.35 0.35 -1.00 0.00 0.00 179.01 178.13 3cxc h PHE 83 N 0.00 0.00 0.00 4.33 3.57 -1.41 -3.32 116.94 120.10 3cxc h PHE 83 Ca 0.36 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 3cxc h PHE 83 Cb 2.29 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 41.03 3cxc h PHE 83 CO 0.00 1.13 -0.02 -0.07 -2.23 0.00 0.00 178.31 177.12 3cxc h LEU 84 N -1.00 0.00 0.00 0.59 3.38 0.37 -0.92 115.31 117.73 3cxc h LEU 84 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3cxc h LEU 84 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3cxc h LEU 84 CO -0.06 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.49 3cxc n GLN 85 N -3.43 0.57 0.00 1.13 6.02 0.17 -2.24 117.38 119.60 3cxc n GLN 85 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3cxc n GLN 85 Cb 0.12 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.27 3cxc n GLN 85 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3cxc n THR 86 N -0.61 0.00 0.24 5.09 -2.24 -0.70 -4.84 114.28 111.22 3cxc n THR 86 Ca 0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 3cxc n THR 86 Cb 0.01 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.20 3cxc n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cxc h ALA 87 N 0.00 -0.80 -0.74 6.98 0.00 -1.06 -3.11 119.26 120.53 3cxc h ALA 87 Ca 0.00 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.89 3cxc h ALA 87 Cb 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 17.90 3cxc h ALA 87 CO 0.00 -0.76 -0.35 -0.07 0.00 0.00 0.00 179.25 178.07 3cxc h LEU 88 N -0.90 -1.25 -1.35 0.00 3.38 -1.71 0.54 115.31 114.01 3cxc h LEU 88 Ca -0.06 0.26 0.33 0.00 0.09 0.00 0.00 57.88 58.49 3cxc h LEU 88 Cb 0.49 0.64 -0.11 0.00 0.09 0.00 0.00 40.66 41.76 3cxc h LEU 88 CO 0.11 -0.30 0.73 -0.65 0.09 0.00 0.00 178.44 178.41 3cxc h PRO 89 N -0.10 0.27 0.00 1.13 0.11 -1.75 0.73 132.00 132.38 3cxc h PRO 89 Ca 0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.37 3cxc h PRO 89 Cb 0.57 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3cxc h PRO 89 CO -0.79 0.18 0.00 1.28 -0.21 0.00 0.00 178.00 178.45 3cxc n LEU 90 N -4.68 0.00 -4.45 2.35 4.77 0.19 -4.76 117.00 110.42 3cxc n LEU 90 Ca 0.30 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 56.06 3cxc n LEU 90 Cb 1.09 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.08 3cxc n LEU 90 CO 0.22 0.00 -0.42 0.00 -1.33 0.00 0.00 177.39 175.87 3cxc s ALA 91 N -2.00 2.53 0.05 -1.18 0.00 0.25 -5.01 121.76 116.40 3cxc s ALA 91 Ca 0.16 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.23 3cxc s ALA 91 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3cxc s ALA 91 CO 0.12 0.09 0.00 0.39 0.00 0.00 0.00 175.76 176.36 3cxc n GLU 92 N -0.60 0.00 -0.74 0.00 1.02 -1.26 -4.98 120.64 114.08 3cxc n GLU 92 Ca -0.06 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.81 3cxc n GLU 92 Cb 0.62 -0.37 0.03 0.00 -0.02 0.00 0.00 31.44 31.70 3cxc n GLU 92 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3cxc n LEU 93 N -3.07 -3.78 0.00 -4.62 4.77 -1.26 -4.85 117.00 104.19 3cxc n LEU 93 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3cxc n LEU 93 Cb 0.25 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3cxc n LEU 93 CO 0.00 -3.67 0.00 0.00 -1.33 0.00 0.00 177.39 172.39 3cxc n ALA 94 N -2.08 0.00 -1.36 -1.18 0.00 -1.11 -4.80 120.51 109.98 3cxc n ALA 94 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.44 3cxc n ALA 94 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 3cxc n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3cxc n THR 95 N -0.06 -1.74 0.00 0.00 -2.24 -1.26 -4.34 114.28 104.65 3cxc n THR 95 Ca 0.00 0.91 0.00 0.00 -2.27 0.00 0.00 64.05 62.69 3cxc n THR 95 Cb 0.00 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 3cxc n THR 95 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3cxc n SER 96 N -2.61 0.00 0.00 3.42 3.41 -1.26 -4.16 113.62 112.41 3cxc n SER 96 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.62 3cxc n SER 96 Cb 0.34 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.39 3cxc n SER 96 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3cxc n GLN 97 N 0.00 0.64 -3.94 4.33 7.27 -1.26 -4.77 117.38 119.65 3cxc n GLN 97 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 3cxc n GLN 97 Cb 0.00 -1.09 -0.04 0.00 2.41 0.00 0.00 30.24 31.52 3cxc n GLN 97 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 3cxc s PHE 98 N -2.00 3.47 1.02 3.69 0.40 -1.26 -4.20 117.98 119.10 3cxc s PHE 98 Ca 0.06 0.20 -0.14 0.00 -0.60 0.00 0.00 56.93 56.45 3cxc s PHE 98 Cb 0.03 -1.72 0.20 0.00 0.51 0.00 0.00 43.02 42.03 3cxc s PHE 98 CO 0.04 0.57 1.12 0.34 0.70 0.00 0.00 175.22 177.99 3cxc s ASP 99 N -2.63 2.46 0.00 1.36 2.15 0.94 -4.92 116.67 116.03 3cxc s ASP 99 Ca 0.34 0.95 0.25 0.00 0.43 0.00 0.00 52.55 54.51 3cxc s ASP 99 Cb -0.12 -1.47 0.44 0.00 -0.30 0.00 0.00 42.92 41.47 3cxc s ASP 99 CO 0.27 -3.20 1.37 0.47 -0.17 0.00 0.00 175.17 173.91 3cxc n ASP 100 N -4.19 0.66 -0.80 -0.34 9.92 -1.26 -3.43 116.55 117.10 3cxc n ASP 100 Ca 0.08 -0.45 0.08 0.00 -0.53 0.00 0.00 54.79 53.97 3cxc n ASP 100 Cb 0.58 0.33 0.15 0.00 -0.64 0.00 0.00 41.12 41.55 3cxc n ASP 100 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3cxc n THR 101 N -1.36 0.54 -1.44 -3.53 -1.04 -1.26 -4.39 114.28 101.81 3cxc n THR 101 Ca 0.06 -0.77 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 3cxc n THR 101 Cb 0.34 0.88 0.00 0.00 -1.82 0.00 0.00 70.33 69.73 3cxc n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cxc n GLY 102 N 0.95 0.87 3.73 3.41 0.00 -1.18 -4.17 105.19 108.80 3cxc n GLY 102 Ca 0.13 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 3cxc n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cxc s ASN 103 N -2.70 4.48 -0.13 1.61 0.02 -1.26 -4.20 114.94 112.76 3cxc s ASN 103 Ca 0.00 -0.98 -0.30 0.00 -1.02 0.00 0.00 52.86 50.55 3cxc s ASN 103 Cb 0.00 -0.54 0.11 0.00 0.02 0.00 0.00 41.25 40.83 3cxc s ASN 103 CO 0.00 -0.46 0.89 0.72 0.02 0.00 0.00 177.10 178.28 3cxc s PHE 104 N -2.55 -0.47 -0.04 2.20 -0.12 -1.20 0.32 117.98 116.13 3cxc s PHE 104 Ca 0.40 0.81 0.01 0.00 -0.05 0.00 0.00 56.93 58.10 3cxc s PHE 104 Cb 0.02 0.43 0.02 0.00 -0.63 0.00 0.00 43.02 42.86 3cxc s PHE 104 CO 0.22 -0.43 -0.05 0.45 -0.05 0.00 0.00 175.22 175.37 3cxc s SER 105 N -1.11 0.89 0.30 1.98 0.15 -1.26 -1.22 113.70 113.44 3cxc s SER 105 Ca -0.05 -0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.52 3cxc s SER 105 Cb -0.00 -0.41 -0.06 0.00 -1.71 0.00 0.00 66.02 63.84 3cxc s SER 105 CO 0.04 -0.04 0.04 0.72 1.20 0.00 0.00 173.24 175.20 3cxc s PHE 106 N 0.79 1.90 0.00 3.44 -0.71 -0.30 -4.98 117.98 118.12 3cxc s PHE 106 Ca -0.11 -0.93 0.00 0.00 -1.04 0.00 0.00 56.93 54.85 3cxc s PHE 106 Cb -0.13 -1.20 0.00 0.00 -1.21 0.00 0.00 43.02 40.48 3cxc s PHE 106 CO 0.00 0.02 0.00 0.41 -1.34 0.00 0.00 175.22 174.31 3cxc n GLY 107 N -0.63 -0.22 0.00 1.99 0.00 -1.26 -1.55 105.19 103.51 3cxc n GLY 107 Ca -0.03 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.02 3cxc n GLY 107 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3cxc n LEU 128 N 0.00 0.00 -4.51 0.99 0.00 -1.26 -4.91 117.00 107.30 3cxc n LEU 128 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.69 3cxc n LEU 128 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.30 3cxc n LEU 128 CO 0.00 0.00 -0.44 -1.81 0.00 0.00 0.00 177.39 175.14 3cxc s ASP 129 N 0.00 4.15 -0.08 1.96 1.01 -0.22 -5.00 116.67 118.48 3cxc s ASP 129 Ca 0.00 -0.26 -0.01 0.00 0.71 0.00 0.00 52.55 52.99 3cxc s ASP 129 Cb 0.00 -0.84 0.03 0.00 1.01 0.00 0.00 42.92 43.12 3cxc s ASP 129 CO 0.00 0.29 -0.01 -0.69 0.21 0.00 0.00 175.17 174.97 3cxc s VAL 130 N -0.90 0.48 0.05 -1.27 1.01 -0.60 -1.24 120.40 117.95 3cxc s VAL 130 Ca 0.15 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.26 3cxc s VAL 130 Cb -0.11 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 3cxc s VAL 130 CO 0.05 0.27 -0.26 -0.89 0.00 0.00 0.00 175.10 174.27 3cxc s THR 131 N 1.87 2.20 -0.19 3.92 2.01 0.24 -1.15 115.64 124.53 3cxc s THR 131 Ca 0.04 -1.41 0.01 0.00 0.31 0.00 0.00 61.69 60.64 3cxc s THR 131 Cb -0.12 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.55 3cxc s THR 131 CO -0.05 0.34 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.38 3cxc s VAL 132 N -0.84 1.87 -0.32 3.82 1.01 -0.36 -1.44 120.40 124.15 3cxc s VAL 132 Ca 0.12 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 3cxc s VAL 132 Cb -0.10 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 3cxc s VAL 132 CO 0.03 0.34 0.40 0.21 0.00 0.00 0.00 175.10 176.07 3cxc s ASN 133 N 1.33 6.23 0.04 3.32 3.04 -0.79 -3.24 114.94 124.87 3cxc s ASN 133 Ca 0.01 -0.04 0.05 0.00 0.04 0.00 0.00 52.86 52.93 3cxc s ASN 133 Cb -0.15 -2.22 -0.04 0.00 -1.54 0.00 0.00 41.25 37.31 3cxc s ASN 133 CO -0.10 -0.33 -0.10 -0.76 -3.04 0.00 0.00 177.10 172.78 3cxc s LEU 134 N 2.12 3.03 0.16 3.21 1.43 -1.26 -0.10 118.68 127.26 3cxc s LEU 134 Ca 0.14 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.73 3cxc s LEU 134 Cb -0.16 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.36 3cxc s LEU 134 CO 0.12 0.24 1.03 0.54 0.23 0.00 0.00 176.35 178.50 3cxc s VAL 135 N -1.05 0.00 -0.01 -1.59 0.11 -0.98 -4.80 120.40 112.07 3cxc s VAL 135 Ca 0.18 -0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 58.63 3cxc s VAL 135 Cb -0.11 -2.44 -0.04 0.00 -1.53 0.00 0.00 36.38 32.26 3cxc s VAL 135 CO 0.09 0.00 0.09 0.00 -3.33 0.00 0.00 175.10 171.95 3cxc s ARG 136 N -2.66 3.11 0.00 1.54 1.70 -1.26 -2.15 118.95 119.23 3cxc s ARG 136 Ca 0.17 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 54.98 3cxc s ARG 136 Cb -0.01 -2.89 0.00 0.00 -0.57 0.00 0.00 34.95 31.47 3cxc s ARG 136 CO 0.03 0.66 0.00 -2.30 -1.08 0.00 0.00 175.30 172.61 3cxc n PRO 137 N 1.22 0.00 -0.39 3.89 -0.02 -1.26 -2.58 135.00 135.86 3cxc n PRO 137 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3cxc n PRO 137 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 3cxc n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cxc n GLY 138 N -0.47 2.13 0.11 -1.23 0.00 -1.26 -4.34 105.19 100.12 3cxc n GLY 138 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3cxc n GLY 138 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3cxc h TYR 139 N 1.46 0.17 -0.75 1.61 3.20 -1.91 -3.25 116.97 117.51 3cxc h TYR 139 Ca 0.00 -0.10 0.22 0.00 3.14 0.00 0.00 58.73 61.99 3cxc h TYR 139 Cb 0.83 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 3cxc h TYR 139 CO 0.26 0.94 0.60 -0.09 -1.64 0.00 0.00 178.16 178.24 3cxc h ARG 140 N 0.06 0.00 -0.53 1.82 2.43 -1.90 0.16 114.38 116.42 3cxc h ARG 140 Ca -0.03 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.26 3cxc h ARG 140 Cb 1.54 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.07 3cxc h ARG 140 CO 0.13 0.00 0.37 0.28 -1.51 0.00 0.00 179.97 179.23 3cxc h VAL 141 N 0.00 0.81 -0.17 0.20 2.07 -1.88 0.18 116.25 117.46 3cxc h VAL 141 Ca 0.36 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.82 3cxc h VAL 141 Cb 1.55 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3cxc h VAL 141 CO -0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3cxc n ALA 142 N -2.59 2.44 0.00 1.67 0.00 0.56 -0.56 120.51 122.04 3cxc n ALA 142 Ca 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3cxc n ALA 142 Cb 0.49 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 19.10 3cxc n ALA 142 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cxc n LYS 143 N 1.41 5.56 -1.29 0.00 4.76 -0.26 -4.80 118.16 123.55 3cxc n LYS 143 Ca 0.16 -0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.30 3cxc n LYS 143 Cb 0.61 -0.60 0.24 0.00 -1.84 0.00 0.00 35.03 33.43 3cxc n LYS 143 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3cxc s ARG 144 N -1.21 -1.01 -0.06 1.97 1.70 0.48 -5.05 118.95 115.77 3cxc s ARG 144 Ca 0.00 -0.25 -0.04 0.00 -0.47 0.00 0.00 55.73 54.97 3cxc s ARG 144 Cb 0.00 -1.64 -0.01 0.00 -0.57 0.00 0.00 34.95 32.73 3cxc s ARG 144 CO 0.00 -3.54 -0.08 -0.25 -1.08 0.00 0.00 175.30 170.35 3cxc n ASP 145 N -4.60 0.76 -4.78 -2.89 10.43 -1.26 -4.68 116.55 109.53 3cxc n ASP 145 Ca 0.15 0.37 -0.35 0.00 2.57 0.00 0.00 54.79 57.53 3cxc n ASP 145 Cb 0.60 -0.65 -0.01 0.00 1.84 0.00 0.00 41.12 42.90 3cxc n ASP 145 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3cxc s LYS 146 N -1.56 3.57 0.00 -1.24 1.02 -1.26 -3.70 119.74 116.58 3cxc s LYS 146 Ca -0.07 1.59 0.00 0.00 0.02 0.00 0.00 55.97 57.51 3cxc s LYS 146 Cb 0.01 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 3cxc s LYS 146 CO 0.10 -0.67 0.00 0.00 -0.92 0.00 0.00 175.35 173.87 3cxc n ALA 147 N -1.00 -0.69 -0.94 5.17 0.00 -1.26 -4.85 120.51 116.94 3cxc n ALA 147 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.21 3cxc n ALA 147 Cb 0.51 -0.39 0.13 0.00 0.00 0.00 0.00 19.45 19.70 3cxc n ALA 147 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cxc n SER 148 N -0.86 0.04 -3.61 0.00 3.41 -1.24 -5.01 113.62 106.34 3cxc n SER 148 Ca 0.00 0.49 -0.16 0.00 -0.26 0.00 0.00 58.87 58.94 3cxc n SER 148 Cb 0.35 -1.42 -0.07 0.00 -0.26 0.00 0.00 64.21 62.81 3cxc n SER 148 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3cxc s ARG 149 N -4.04 0.91 0.51 4.33 3.52 0.27 -4.99 118.95 119.47 3cxc s ARG 149 Ca 0.68 0.10 -0.18 0.00 -0.13 0.00 0.00 55.73 56.20 3cxc s ARG 149 Cb -0.27 0.42 -0.07 0.00 -1.56 0.00 0.00 34.95 33.48 3cxc s ARG 149 CO 0.57 -0.27 1.02 0.45 -0.81 0.00 0.00 175.30 176.25 3cxc s SER 150 N -1.22 6.33 0.03 -2.12 0.15 -1.26 -2.97 113.70 112.65 3cxc s SER 150 Ca -0.12 1.78 -0.30 0.00 0.70 0.00 0.00 55.95 58.01 3cxc s SER 150 Cb -0.02 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 3cxc s SER 150 CO 0.08 -0.79 1.11 -0.63 1.20 0.00 0.00 173.24 174.21 3cxc s ILE 151 N -2.29 4.40 0.32 6.45 -1.09 -1.26 -4.96 121.20 122.77 3cxc s ILE 151 Ca 0.64 1.72 -0.29 0.00 -2.23 0.00 0.00 60.65 60.49 3cxc s ILE 151 Cb -0.14 -4.10 -0.11 0.00 -1.58 0.00 0.00 42.46 36.53 3cxc s ILE 151 CO 0.26 0.13 1.49 -2.84 -1.23 0.00 0.00 174.94 172.75 3cxc s PRO 152 N 1.10 4.17 0.38 2.79 0.02 -1.26 -4.83 135.00 137.36 3cxc s PRO 152 Ca 0.56 2.49 0.18 0.00 0.02 0.00 0.00 61.00 64.25 3cxc s PRO 152 Cb -0.26 -3.02 1.13 0.00 0.02 0.00 0.00 34.50 32.37 3cxc s PRO 152 CO 0.28 -0.51 1.71 1.79 -0.33 0.00 0.00 177.00 179.94 3cxc h THR 153 N 3.22 0.38 -0.75 0.99 1.35 -1.96 0.21 112.91 116.35 3cxc h THR 153 Ca -0.48 -0.12 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 3cxc h THR 153 Cb 1.23 0.01 -0.04 0.00 -1.73 0.00 0.00 68.15 67.62 3cxc h THR 153 CO 0.72 0.06 0.41 0.11 -0.25 0.00 0.00 175.52 176.57 3cxc h LYS 154 N 0.34 1.05 -0.08 4.72 6.56 -2.03 -1.10 116.57 126.04 3cxc h LYS 154 Ca 0.69 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 60.15 3cxc h LYS 154 Cb 1.73 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 33.18 3cxc h LYS 154 CO -0.43 0.78 0.00 1.58 -2.06 0.00 0.00 179.45 179.32 3cxc n HIS 155 N -4.45 0.10 -1.86 -1.35 -0.00 0.70 -4.84 115.22 103.52 3cxc n HIS 155 Ca 0.07 -0.05 -0.29 0.00 0.46 0.00 0.00 57.72 57.91 3cxc n HIS 155 Cb 0.09 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 30.06 3cxc n HIS 155 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 3cxc s ARG 156 N -1.90 1.79 -0.18 1.57 1.81 -0.42 -4.71 118.95 116.92 3cxc s ARG 156 Ca 0.24 0.10 -0.07 0.00 -1.72 0.00 0.00 55.73 54.28 3cxc s ARG 156 Cb 0.12 -1.93 -0.04 0.00 -0.45 0.00 0.00 34.95 32.65 3cxc s ARG 156 CO 0.19 -1.72 0.04 -1.17 -0.68 0.00 0.00 175.30 171.96 3cxc s LEU 157 N -5.65 3.69 0.55 2.53 2.96 -1.26 -5.00 118.68 116.50 3cxc s LEU 157 Ca 0.63 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.55 3cxc s LEU 157 Cb -0.11 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.67 3cxc s LEU 157 CO 0.50 0.17 0.81 0.20 -1.32 0.00 0.00 176.35 176.71 3cxc s ASN 158 N 0.38 5.53 0.16 3.68 -0.87 -1.26 -3.10 114.94 119.46 3cxc s ASN 158 Ca 0.02 0.40 -0.14 0.00 -1.57 0.00 0.00 52.86 51.57 3cxc s ASN 158 Cb -0.13 -1.42 0.05 0.00 -0.02 0.00 0.00 41.25 39.73 3cxc s ASN 158 CO 0.01 -1.01 1.79 -0.65 -2.57 0.00 0.00 177.10 174.66 3cxc h PRO 159 N 0.02 0.70 0.38 -0.60 0.11 -1.77 -2.24 132.00 128.60 3cxc h PRO 159 Ca -0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3cxc h PRO 159 Cb 1.27 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3cxc h PRO 159 CO 0.58 0.53 -0.25 0.00 -0.21 0.00 0.00 178.00 178.65 3cxc h ALA 160 N 1.14 -1.07 -0.03 -0.75 0.00 -1.94 -1.30 119.26 115.32 3cxc h ALA 160 Ca 0.18 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3cxc h ALA 160 Cb 0.01 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3cxc h ALA 160 CO -0.03 -1.05 0.56 -0.44 0.00 0.00 0.00 179.25 178.28 3cxc h ASP 161 N -0.59 0.00 0.04 0.00 3.32 -1.95 0.81 116.42 118.05 3cxc h ASP 161 Ca -0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3cxc h ASP 161 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3cxc h ASP 161 CO 0.04 0.00 -0.02 0.00 -1.72 0.00 0.00 179.24 177.54 3cxc h ALA 162 N 0.91 -0.05 -0.81 3.45 0.00 -0.74 -3.12 119.26 118.90 3cxc h ALA 162 Ca 0.01 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.94 3cxc h ALA 162 Cb 1.12 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 3cxc h ALA 162 CO -0.00 -0.06 -0.04 0.28 0.00 0.00 0.00 179.25 179.43 3cxc h VAL 163 N -1.00 0.24 0.29 0.00 2.07 0.26 -1.17 116.25 116.94 3cxc h VAL 163 Ca -0.01 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3cxc h VAL 163 Cb 0.35 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3cxc h VAL 163 CO 0.01 0.01 -0.51 0.00 0.02 0.00 0.00 177.57 177.10 3cxc h ALA 164 N 1.79 -1.04 -0.12 1.67 0.00 -1.52 0.18 119.26 120.21 3cxc h ALA 164 Ca 0.44 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3cxc h ALA 164 Cb 0.78 0.81 -0.07 0.00 0.00 0.00 0.00 17.79 19.32 3cxc h ALA 164 CO -0.76 -1.14 -0.48 0.35 0.00 0.00 0.00 179.25 177.22 3cxc h PHE 165 N -0.86 -1.40 0.66 0.00 3.57 -1.15 -0.10 116.94 117.65 3cxc h PHE 165 Ca -0.03 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3cxc h PHE 165 Cb 0.80 0.63 0.01 0.00 2.79 0.00 0.00 35.95 40.18 3cxc h PHE 165 CO -0.36 -0.52 -0.32 0.82 -2.23 0.00 0.00 178.31 175.71 3cxc h ILE 166 N -0.55 0.24 -0.91 1.41 2.04 -1.43 -2.97 117.51 115.35 3cxc h ILE 166 Ca 0.05 -0.24 0.25 0.00 1.00 0.00 0.00 64.86 65.93 3cxc h ILE 166 Cb 0.66 0.30 -0.16 0.00 -0.74 0.00 0.00 36.82 36.89 3cxc h ILE 166 CO -0.41 0.02 0.16 -0.08 0.00 0.00 0.00 178.15 177.83 3cxc h GLU 167 N -1.07 0.11 -1.76 2.37 4.81 -0.59 1.32 114.58 119.77 3cxc h GLU 167 Ca -0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3cxc h GLU 167 Cb 0.72 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3cxc h GLU 167 CO 0.15 0.07 0.00 0.45 -0.73 0.00 0.00 179.01 178.95 3cxc n SER 168 N -5.34 2.75 -2.82 1.04 2.88 -0.06 -3.85 113.62 108.23 3cxc n SER 168 Ca 0.22 -1.63 -0.11 0.00 -1.33 0.00 0.00 58.87 56.03 3cxc n SER 168 Cb 0.73 -0.55 0.04 0.00 -0.75 0.00 0.00 64.21 63.67 3cxc n SER 168 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3cxc n THR 169 N 1.30 -0.10 -2.56 2.46 -1.04 0.45 -4.99 114.28 109.80 3cxc n THR 169 Ca 0.00 -1.92 -0.07 0.00 -2.04 0.00 0.00 64.05 60.02 3cxc n THR 169 Cb 0.31 0.99 0.04 0.00 -1.82 0.00 0.00 70.33 69.84 3cxc n THR 169 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3cxc n TYR 170 N 1.41 -0.91 -3.40 -1.42 4.02 -1.25 -5.00 117.16 110.61 3cxc n TYR 170 Ca 0.11 0.39 0.00 0.00 -0.01 0.00 0.00 57.90 58.38 3cxc n TYR 170 Cb 0.63 -3.27 0.00 0.00 -0.02 0.00 0.00 39.34 36.68 3cxc n TYR 170 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3cxc n ASP 171 N -1.90 0.00 -4.00 7.72 5.68 -1.25 -4.92 116.55 117.88 3cxc n ASP 171 Ca -0.11 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.06 3cxc n ASP 171 Cb 0.57 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.43 3cxc n ASP 171 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3cxc s VAL 172 N -3.00 0.33 0.00 2.12 1.01 -1.26 -4.79 120.40 114.80 3cxc s VAL 172 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3cxc s VAL 172 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.99 3cxc s VAL 172 CO 0.00 -0.29 0.00 -1.84 0.00 0.00 0.00 175.10 172.97 3cxc n GLU 173 N 1.94 3.15 0.00 2.72 0.28 -1.26 -4.95 120.64 122.52 3cxc n GLU 173 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.80 3cxc n GLU 173 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 3cxc n GLU 173 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25