#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc s ARG 2 N 0.00 0.69 -0.05 -0.52 3.52 -1.26 -1.95 118.95 119.39 3cxc s ARG 2 Ca 0.00 1.24 0.05 0.00 -0.13 0.00 0.00 55.73 56.89 3cxc s ARG 2 Cb 0.00 0.21 -0.00 0.00 -1.56 0.00 0.00 34.95 33.59 3cxc s ARG 2 CO 0.00 -0.15 -0.19 0.14 -0.81 0.00 0.00 175.30 174.29 3cxc s VAL 3 N 1.75 1.56 -0.18 7.11 -7.23 -0.10 -5.01 120.40 118.30 3cxc s VAL 3 Ca -0.10 -0.79 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 3cxc s VAL 3 Cb -0.06 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.53 3cxc s VAL 3 CO -0.20 0.45 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.37 3cxc s GLU 4 N 0.00 3.47 -0.35 4.82 2.02 -1.26 -1.98 118.70 125.42 3cxc s GLU 4 Ca -0.04 -0.61 -0.09 0.00 0.02 0.00 0.00 54.97 54.25 3cxc s GLU 4 Cb -0.12 -2.90 0.02 0.00 0.10 0.00 0.00 34.13 31.23 3cxc s GLU 4 CO 0.03 0.02 0.16 -0.51 0.02 0.00 0.00 175.26 174.97 3cxc s LEU 5 N 0.92 4.43 -0.17 1.80 1.43 0.34 -4.94 118.68 122.49 3cxc s LEU 5 Ca -0.01 -0.92 -0.29 0.00 -1.03 0.00 0.00 54.13 51.87 3cxc s LEU 5 Cb -0.15 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 3cxc s LEU 5 CO 0.01 -0.32 1.29 -1.61 0.23 0.00 0.00 176.35 175.95 3cxc s GLU 6 N 1.52 4.19 0.12 1.70 2.02 -1.26 -0.38 118.70 126.61 3cxc s GLU 6 Ca 0.02 1.65 -0.30 0.00 0.02 0.00 0.00 54.97 56.35 3cxc s GLU 6 Cb -0.19 -3.79 -0.06 0.00 0.10 0.00 0.00 34.13 30.19 3cxc s GLU 6 CO 0.05 -0.77 1.09 -1.50 0.02 0.00 0.00 175.26 174.15 3cxc s ILE 7 N 3.65 4.12 0.39 -1.63 2.07 -0.39 -4.97 121.20 124.44 3cxc s ILE 7 Ca 0.56 1.70 -0.26 0.00 -1.41 0.00 0.00 60.65 61.25 3cxc s ILE 7 Cb -0.22 -4.09 -0.11 0.00 0.13 0.00 0.00 42.46 38.17 3cxc s ILE 7 CO 0.16 0.23 1.11 -2.65 -1.91 0.00 0.00 174.94 171.89 3cxc n PRO 8 N 2.97 1.60 0.03 3.50 -0.02 -1.26 -4.88 135.00 136.94 3cxc n PRO 8 Ca 0.04 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.21 3cxc n PRO 8 Cb 0.47 -2.14 0.57 0.00 -0.02 0.00 0.00 33.50 32.39 3cxc n PRO 8 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3cxc h GLU 9 N 1.87 0.22 0.00 -0.52 4.11 -1.99 0.42 114.58 118.69 3cxc h GLU 9 Ca -0.45 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 58.94 3cxc h GLU 9 Cb 1.32 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 3cxc h GLU 9 CO 0.59 0.14 -0.16 0.22 0.07 0.00 0.00 179.01 179.87 3cxc h ASP 10 N 0.22 0.00 -1.78 3.06 1.82 -1.98 -3.45 116.42 114.31 3cxc h ASP 10 Ca 0.19 0.00 -0.49 0.00 -0.39 0.00 0.00 57.03 56.34 3cxc h ASP 10 Cb 0.46 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.43 3cxc h ASP 10 CO -0.03 0.16 -0.42 -0.69 -1.61 0.00 0.00 179.24 176.64 3cxc s VAL 11 N -4.19 3.41 -0.05 2.25 1.01 0.14 -4.57 120.40 118.40 3cxc s VAL 11 Ca -0.03 -1.33 -0.00 0.00 0.00 0.00 0.00 61.98 60.62 3cxc s VAL 11 Cb 0.13 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.37 3cxc s VAL 11 CO 0.61 -0.14 -0.00 -1.81 0.00 0.00 0.00 175.10 173.76 3cxc s ASP 12 N -4.04 0.97 -0.12 3.32 1.01 -0.92 -4.81 116.67 112.08 3cxc s ASP 12 Ca 0.43 -0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.64 3cxc s ASP 12 Cb -0.06 -0.33 0.02 0.00 1.01 0.00 0.00 42.92 43.56 3cxc s ASP 12 CO 0.27 -0.13 -0.13 0.00 0.21 0.00 0.00 175.17 175.39 3cxc s ALA 13 N 1.40 1.62 0.18 5.23 0.00 -1.26 -0.84 121.76 128.09 3cxc s ALA 13 Ca -0.04 -0.72 0.10 0.00 0.00 0.00 0.00 51.96 51.29 3cxc s ALA 13 Cb -0.13 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 3cxc s ALA 13 CO -0.03 -0.27 -0.21 -2.00 0.00 0.00 0.00 175.76 173.26 3cxc s GLU 14 N 1.34 1.37 -0.25 0.00 2.12 0.00 -4.94 118.70 118.34 3cxc s GLU 14 Ca 0.00 -1.45 -0.17 0.00 0.36 0.00 0.00 54.97 53.71 3cxc s GLU 14 Cb -0.14 -1.53 0.07 0.00 0.26 0.00 0.00 34.13 32.79 3cxc s GLU 14 CO -0.06 0.32 0.64 -1.14 -0.54 0.00 0.00 175.26 174.47 3cxc s GLN 15 N -2.73 0.67 -0.07 4.30 -0.44 -1.26 0.54 119.66 120.67 3cxc s GLN 15 Ca 0.18 1.08 0.02 0.00 -2.50 0.00 0.00 55.36 54.13 3cxc s GLN 15 Cb -0.07 0.17 0.01 0.00 -1.64 0.00 0.00 33.01 31.49 3cxc s GLN 15 CO 0.08 -0.14 -0.12 0.16 0.50 0.00 0.00 175.29 175.77 3cxc s ASP 16 N 1.27 1.86 1.40 6.67 -4.77 -0.91 -4.90 116.67 117.30 3cxc s ASP 16 Ca -0.07 -0.31 0.00 0.00 -3.30 0.00 0.00 52.55 48.87 3cxc s ASP 16 Cb -0.05 -0.85 0.00 0.00 -1.09 0.00 0.00 42.92 40.92 3cxc s ASP 16 CO -0.13 0.03 0.00 1.41 0.70 0.00 0.00 175.17 177.17 3cxc n HIS 17 N 3.90 0.00 0.73 2.11 8.25 -1.26 -2.75 115.22 126.20 3cxc n HIS 17 Ca -0.22 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.34 3cxc n HIS 17 Cb 0.52 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.72 3cxc n HIS 17 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3cxc n LEU 18 N 0.00 2.67 -4.65 2.41 4.77 -1.26 -4.94 117.00 116.01 3cxc n LEU 18 Ca 0.00 -1.06 -0.35 0.00 -0.03 0.00 0.00 56.01 54.56 3cxc n LEU 18 Cb 0.00 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 3cxc n LEU 18 CO 0.00 0.48 -0.22 -1.81 -1.33 0.00 0.00 177.39 174.51 3cxc s ASP 19 N -1.57 5.85 -0.03 -1.43 1.01 -1.11 -1.22 116.67 118.17 3cxc s ASP 19 Ca 0.24 0.10 0.04 0.00 0.71 0.00 0.00 52.55 53.64 3cxc s ASP 19 Cb 0.16 -2.03 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 3cxc s ASP 19 CO 0.24 0.13 -0.14 -0.63 0.21 0.00 0.00 175.17 174.99 3cxc s ILE 20 N 0.64 3.10 -0.03 0.77 1.01 0.33 -2.14 121.20 124.87 3cxc s ILE 20 Ca 0.06 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.95 3cxc s ILE 20 Cb -0.13 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 3cxc s ILE 20 CO 0.01 0.53 -0.16 -0.89 0.00 0.00 0.00 174.94 174.42 3cxc s THR 21 N -0.80 1.35 -0.08 2.92 2.01 0.19 -0.45 115.64 120.78 3cxc s THR 21 Ca 0.13 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.47 3cxc s THR 21 Cb -0.11 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 71.26 3cxc s THR 21 CO 0.02 0.39 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.47 3cxc s VAL 22 N -0.10 1.58 -0.04 3.82 1.01 0.82 -0.82 120.40 126.67 3cxc s VAL 22 Ca -0.00 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.28 3cxc s VAL 22 Cb -0.10 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 3cxc s VAL 22 CO 0.01 0.45 -0.18 -1.61 0.00 0.00 0.00 175.10 173.77 3cxc s GLU 23 N 0.44 1.74 0.32 2.72 2.02 -0.02 0.01 118.70 125.94 3cxc s GLU 23 Ca -0.15 -0.63 0.03 0.00 0.02 0.00 0.00 54.97 54.24 3cxc s GLU 23 Cb -0.16 -1.55 -0.02 0.00 0.10 0.00 0.00 34.13 32.49 3cxc s GLU 23 CO 0.06 0.29 0.32 0.20 0.02 0.00 0.00 175.26 176.15 3cxc s GLY 24 N -0.09 1.97 0.61 -1.39 0.00 0.29 -2.17 107.32 106.55 3cxc s GLY 24 Ca -0.01 -1.86 0.33 0.00 0.00 0.00 0.00 44.72 43.18 3cxc s GLY 24 CO 0.02 -1.32 2.19 -0.55 0.00 0.00 0.00 173.10 173.43 3cxc h ASP 25 N 2.19 0.00 0.84 1.64 3.32 -1.73 -0.30 116.42 122.37 3cxc h ASP 25 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3cxc h ASP 25 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3cxc h ASP 25 CO 0.39 0.00 -0.57 -3.20 -1.72 0.00 0.00 179.24 174.14 3cxc n ASN 26 N -3.57 0.66 0.00 6.45 5.15 0.19 -5.05 115.26 119.09 3cxc n ASN 26 Ca -0.01 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 3cxc n ASN 26 Cb 0.21 0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 3cxc n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cxc n GLY 27 N 1.36 0.56 2.95 8.20 0.00 -0.13 -4.78 105.19 113.36 3cxc n GLY 27 Ca 0.04 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 3cxc n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cxc s SER 28 N -4.00 0.29 -0.02 1.61 1.04 -1.26 0.11 113.70 111.47 3cxc s SER 28 Ca 0.00 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.15 3cxc s SER 28 Cb 0.00 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.17 3cxc s SER 28 CO 0.00 -0.14 -0.04 -0.69 0.98 0.00 0.00 173.24 173.34 3cxc s VAL 29 N -0.81 0.44 -0.08 5.02 1.01 0.10 -4.89 120.40 121.20 3cxc s VAL 29 Ca -0.08 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 61.80 3cxc s VAL 29 Cb -0.06 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 3cxc s VAL 29 CO -0.00 0.16 -0.23 -0.89 0.00 0.00 0.00 175.10 174.14 3cxc s THR 30 N 0.41 1.95 0.14 3.92 2.01 -1.26 -0.13 115.64 122.68 3cxc s THR 30 Ca -0.05 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.00 3cxc s THR 30 Cb -0.08 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 3cxc s THR 30 CO -0.00 0.54 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.28 3cxc s ARG 31 N 0.12 1.00 -0.26 4.92 0.52 0.40 -4.96 118.95 120.68 3cxc s ARG 31 Ca -0.11 -1.44 -0.05 0.00 -0.52 0.00 0.00 55.73 53.62 3cxc s ARG 31 Cb -0.16 -0.38 0.01 0.00 0.52 0.00 0.00 34.95 34.94 3cxc s ARG 31 CO 0.06 -0.01 0.01 0.50 0.02 0.00 0.00 175.30 175.88 3cxc s ARG 32 N -3.82 3.07 -0.61 3.54 3.52 -1.26 -0.52 118.95 122.87 3cxc s ARG 32 Ca 0.17 -0.85 -0.03 0.00 -0.13 0.00 0.00 55.73 54.90 3cxc s ARG 32 Cb 0.05 -3.18 0.16 0.00 -1.56 0.00 0.00 34.95 30.42 3cxc s ARG 32 CO -0.00 -0.38 0.43 -0.51 -0.81 0.00 0.00 175.30 174.02 3cxc s LEU 33 N 1.44 5.23 -0.25 -0.88 1.43 -0.36 -5.01 118.68 120.28 3cxc s LEU 33 Ca 0.02 -2.82 0.03 0.00 -1.03 0.00 0.00 54.13 50.33 3cxc s LEU 33 Cb -0.16 -1.85 0.05 0.00 0.03 0.00 0.00 46.19 44.26 3cxc s LEU 33 CO -0.01 -0.38 -0.12 0.86 0.23 0.00 0.00 176.35 176.94 3cxc s TRP 34 N -0.01 3.20 0.02 0.29 -0.00 -1.26 -4.89 118.94 116.29 3cxc s TRP 34 Ca 0.16 -2.23 -0.07 0.00 -0.00 0.00 0.00 56.10 53.97 3cxc s TRP 34 Cb -0.20 -1.93 -0.00 0.00 -0.00 0.00 0.00 33.47 31.33 3cxc s TRP 34 CO -0.03 -0.87 0.14 -0.47 -0.00 0.00 0.00 176.95 175.71 3cxc s TYR 35 N 1.13 0.08 0.03 5.86 5.04 -1.26 -5.12 117.35 123.12 3cxc s TYR 35 Ca -0.07 -0.24 -0.32 0.00 -2.44 0.00 0.00 57.07 54.00 3cxc s TYR 35 Cb -0.19 -0.07 -0.11 0.00 0.35 0.00 0.00 41.96 41.94 3cxc s TYR 35 CO -0.06 -0.32 1.87 -2.30 -1.34 0.00 0.00 175.55 173.40 3cxc n PRO 36 N 1.20 2.58 -1.15 4.97 -0.02 -1.26 -2.76 135.00 138.55 3cxc n PRO 36 Ca -0.21 0.94 -0.05 0.00 -2.02 0.00 0.00 63.50 62.15 3cxc n PRO 36 Cb 0.57 -2.83 -0.02 0.00 -0.02 0.00 0.00 33.50 31.19 3cxc n PRO 36 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3cxc n ASP 37 N 6.36 -4.96 -4.43 2.55 8.00 -1.26 -4.99 116.55 117.83 3cxc n ASP 37 Ca 0.20 0.13 -0.37 0.00 0.71 0.00 0.00 54.79 55.46 3cxc n ASP 37 Cb 0.35 -2.92 -0.12 0.00 -0.02 0.00 0.00 41.12 38.41 3cxc n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cxc s ILE 38 N -1.75 4.37 -0.22 0.53 1.01 -1.11 -4.23 121.20 119.78 3cxc s ILE 38 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 3cxc s ILE 38 Cb 0.00 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 3cxc s ILE 38 CO 0.00 0.21 0.12 -1.81 0.00 0.00 0.00 174.94 173.46 3cxc s ASP 39 N 1.60 5.90 -0.16 3.58 1.01 0.21 -4.68 116.67 124.14 3cxc s ASP 39 Ca 0.05 0.08 -0.04 0.00 0.71 0.00 0.00 52.55 53.35 3cxc s ASP 39 Cb -0.16 -2.05 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 3cxc s ASP 39 CO 0.04 0.09 -0.02 -0.69 0.21 0.00 0.00 175.17 174.80 3cxc s VAL 40 N 0.88 4.01 0.03 -1.27 1.01 -1.25 -1.91 120.40 121.91 3cxc s VAL 40 Ca 0.06 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 3cxc s VAL 40 Cb -0.13 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3cxc s VAL 40 CO 0.03 0.49 0.17 -0.94 0.00 0.00 0.00 175.10 174.85 3cxc s SER 41 N 0.33 0.05 -0.48 3.32 1.04 0.52 -4.94 113.70 113.54 3cxc s SER 41 Ca -0.03 -0.36 -0.13 0.00 0.48 0.00 0.00 55.95 55.91 3cxc s SER 41 Cb -0.14 0.27 0.10 0.00 0.10 0.00 0.00 66.02 66.35 3cxc s SER 41 CO 0.03 -0.52 0.39 -0.69 0.98 0.00 0.00 173.24 173.43 3cxc s VAL 42 N -2.37 4.85 -0.89 5.02 1.01 -1.26 0.14 120.40 126.90 3cxc s VAL 42 Ca -0.07 -1.38 -0.11 0.00 0.00 0.00 0.00 61.98 60.42 3cxc s VAL 42 Cb -0.02 -4.02 0.23 0.00 0.00 0.00 0.00 36.38 32.57 3cxc s VAL 42 CO -0.03 -0.68 0.84 -0.62 0.00 0.00 0.00 175.10 174.60 3cxc s ASP 43 N 2.81 6.77 0.53 3.32 2.15 0.13 -4.96 116.67 127.42 3cxc s ASP 43 Ca 0.04 -2.99 0.00 0.00 0.43 0.00 0.00 52.55 50.03 3cxc s ASP 43 Cb -0.26 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3cxc s ASP 43 CO 0.03 -0.47 0.00 0.61 -0.17 0.00 0.00 175.17 175.18 3cxc n GLY 44 N 3.53 0.27 0.15 2.66 0.00 -1.26 -1.78 105.19 108.77 3cxc n GLY 44 Ca 0.16 0.66 0.12 0.00 0.00 0.00 0.00 46.02 46.97 3cxc n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cxc n ASP 45 N 5.56 0.91 -4.07 1.61 5.75 -1.26 -4.95 116.55 120.09 3cxc n ASP 45 Ca 0.00 -0.71 -0.11 0.00 -0.01 0.00 0.00 54.79 53.97 3cxc n ASP 45 Cb 0.00 0.29 -0.11 0.00 -1.03 0.00 0.00 41.12 40.28 3cxc n ASP 45 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3cxc s THR 46 N -2.74 0.44 -0.10 2.12 -4.23 -0.73 -1.27 115.64 109.13 3cxc s THR 46 Ca 0.17 -1.33 -0.06 0.00 -1.18 0.00 0.00 61.69 59.29 3cxc s THR 46 Cb 0.18 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 3cxc s THR 46 CO 0.63 -0.60 0.14 -0.69 -0.54 0.00 0.00 174.62 173.56 3cxc s VAL 47 N -2.24 5.46 -0.10 2.29 1.01 0.49 0.18 120.40 127.48 3cxc s VAL 47 Ca -0.04 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3cxc s VAL 47 Cb -0.04 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.94 3cxc s VAL 47 CO -0.02 0.56 -0.20 -0.69 0.00 0.00 0.00 175.10 174.75 3cxc s VAL 48 N -1.08 1.80 -0.21 2.92 1.01 0.36 -0.50 120.40 124.69 3cxc s VAL 48 Ca 0.17 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3cxc s VAL 48 Cb -0.12 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.68 3cxc s VAL 48 CO 0.07 0.50 -0.09 -0.63 0.00 0.00 0.00 175.10 174.95 3cxc s ILE 49 N 0.62 2.89 0.13 2.22 1.01 -0.84 -0.36 121.20 126.88 3cxc s ILE 49 Ca -0.13 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 3cxc s ILE 49 Cb -0.16 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 3cxc s ILE 49 CO 0.04 0.41 0.25 -1.83 0.00 0.00 0.00 174.94 173.81 3cxc s GLU 50 N 1.39 1.03 0.07 2.79 -1.05 -0.80 -0.93 118.70 121.20 3cxc s GLU 50 Ca 0.04 -1.06 -0.26 0.00 -0.15 0.00 0.00 54.97 53.54 3cxc s GLU 50 Cb -0.14 0.37 0.08 0.00 -0.44 0.00 0.00 34.13 34.00 3cxc s GLU 50 CO -0.06 -0.36 0.71 0.45 0.95 0.00 0.00 175.26 176.95 3cxc s SER 51 N -2.92 -0.51 0.18 0.83 0.15 -0.82 -0.62 113.70 109.98 3cxc s SER 51 Ca 0.11 0.10 0.24 0.00 0.70 0.00 0.00 55.95 57.10 3cxc s SER 51 Cb 0.04 0.52 0.28 0.00 -1.71 0.00 0.00 66.02 65.15 3cxc s SER 51 CO -0.05 -0.80 1.30 0.44 1.20 0.00 0.00 173.24 175.33 3cxc h ASP 52 N 2.14 0.00 -3.03 5.45 3.32 -1.86 -2.26 116.42 120.18 3cxc h ASP 52 Ca -0.29 -0.13 -0.60 0.00 0.02 0.00 0.00 57.03 56.03 3cxc h ASP 52 Cb 1.26 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.77 3cxc h ASP 52 CO 0.36 0.06 -0.37 -1.61 -1.72 0.00 0.00 179.24 175.96 3cxc s GLU 53 N -3.22 3.57 -0.07 3.56 2.02 -1.26 -4.70 118.70 118.60 3cxc s GLU 53 Ca 0.05 -0.15 0.10 0.00 0.02 0.00 0.00 54.97 54.99 3cxc s GLU 53 Cb 0.12 -2.97 0.16 0.00 0.10 0.00 0.00 34.13 31.53 3cxc s GLU 53 CO 0.73 0.56 1.07 -0.40 0.02 0.00 0.00 175.26 177.24 3cxc n ASP 54 N 0.49 2.09 -4.77 -0.19 5.75 -1.26 -4.44 116.55 114.22 3cxc n ASP 54 Ca -0.06 -2.57 -0.35 0.00 -0.01 0.00 0.00 54.79 51.80 3cxc n ASP 54 Cb 0.52 -0.24 0.01 0.00 -1.03 0.00 0.00 41.12 40.38 3cxc n ASP 54 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3cxc s ASN 55 N -2.00 5.55 0.26 -1.12 2.20 -1.26 -4.67 114.94 113.90 3cxc s ASN 55 Ca 0.17 2.19 -0.09 0.00 -0.94 0.00 0.00 52.86 54.20 3cxc s ASN 55 Cb 0.15 -2.58 0.42 0.00 -2.00 0.00 0.00 41.25 37.24 3cxc s ASN 55 CO 0.02 -1.34 1.50 0.00 -2.94 0.00 0.00 177.10 174.33 3cxc n ALA 56 N -1.49 0.19 -0.30 3.54 0.00 -1.26 -0.38 120.51 120.81 3cxc n ALA 56 Ca 0.12 1.05 -0.00 0.00 0.00 0.00 0.00 53.44 54.60 3cxc n ALA 56 Cb 0.51 -0.61 0.18 0.00 0.00 0.00 0.00 19.45 19.53 3cxc n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3cxc h LYS 57 N 0.00 1.14 -0.07 0.00 1.57 -2.00 0.14 116.57 117.36 3cxc h LYS 57 Ca 0.45 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.12 3cxc h LYS 57 Cb 0.69 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3cxc h LYS 57 CO -0.98 0.76 -0.10 1.15 -0.57 0.00 0.00 179.45 179.70 3cxc h THR 58 N 1.18 1.39 -0.86 -0.16 2.02 -1.06 -3.00 112.91 112.41 3cxc h THR 58 Ca 0.33 -1.34 0.02 0.00 0.77 0.00 0.00 66.41 66.19 3cxc h THR 58 Cb -0.09 2.12 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 3cxc h THR 58 CO -0.08 0.37 0.56 0.24 0.37 0.00 0.00 175.52 176.99 3cxc h MET 59 N -0.26 1.09 -0.05 6.66 2.86 -0.84 -0.80 114.93 123.60 3cxc h MET 59 Ca 0.01 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3cxc h MET 59 Cb 0.65 -0.25 -0.06 0.00 0.06 0.00 0.00 31.60 32.01 3cxc h MET 59 CO 0.02 0.72 -0.44 0.77 1.06 0.00 0.00 176.91 179.05 3cxc h SER 60 N 1.13 -1.36 -0.83 1.22 0.02 -0.70 -1.93 113.55 111.10 3cxc h SER 60 Ca 0.33 0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.43 3cxc h SER 60 Cb -0.07 0.54 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 3cxc h SER 60 CO -0.09 -0.46 0.46 0.74 -1.14 0.00 0.00 176.83 176.34 3cxc h THR 61 N -0.57 1.24 -0.86 -2.27 2.02 -1.29 -1.56 112.91 109.63 3cxc h THR 61 Ca 0.05 -0.60 0.11 0.00 0.77 0.00 0.00 66.41 66.74 3cxc h THR 61 Cb 0.66 0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 67.11 3cxc h THR 61 CO -0.35 0.27 0.49 0.40 0.37 0.00 0.00 175.52 176.70 3cxc h ILE 62 N 1.16 0.88 -0.36 3.11 2.04 -0.73 0.40 117.51 124.00 3cxc h ILE 62 Ca 0.29 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 3cxc h ILE 62 Cb 0.03 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 3cxc h ILE 62 CO -0.05 0.14 -0.04 1.23 0.00 0.00 0.00 178.15 179.44 3cxc h GLY 63 N 0.79 0.64 1.20 5.37 0.00 -0.54 -1.56 103.07 108.97 3cxc h GLY 63 Ca 0.42 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 47.18 3cxc h GLY 63 CO -0.27 0.38 -0.41 -0.84 0.00 0.00 0.00 176.54 175.40 3cxc h THR 64 N 0.56 1.28 -0.35 4.70 2.02 0.04 -2.81 112.91 118.35 3cxc h THR 64 Ca 0.11 -1.58 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 3cxc h THR 64 Cb 0.42 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3cxc h THR 64 CO 0.02 0.52 0.11 -0.26 0.37 0.00 0.00 175.52 176.28 3cxc h PHE 65 N 0.71 0.56 0.15 3.16 0.05 0.01 -1.73 116.94 119.85 3cxc h PHE 65 Ca 0.05 -0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3cxc h PHE 65 Cb 0.99 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 38.76 3cxc h PHE 65 CO 0.06 0.54 -0.29 0.37 -0.18 0.00 0.00 178.31 178.82 3cxc h GLN 66 N 0.41 -0.45 -0.99 1.51 4.15 -1.22 -0.76 115.11 117.76 3cxc h GLN 66 Ca 0.11 0.03 0.21 0.00 0.77 0.00 0.00 58.65 59.77 3cxc h GLN 66 Cb 0.25 0.10 -0.10 0.00 0.21 0.00 0.00 27.48 27.94 3cxc h GLN 66 CO -0.00 -0.30 0.62 0.77 -1.93 0.00 0.00 178.83 177.98 3cxc h SER 67 N -0.47 0.65 -0.90 -0.69 0.02 -1.51 0.52 113.55 111.17 3cxc h SER 67 Ca -0.02 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3cxc h SER 67 Cb 0.44 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3cxc h SER 67 CO -0.11 0.21 0.53 0.45 -1.14 0.00 0.00 176.83 176.77 3cxc h HIS 68 N 0.62 1.20 0.01 3.45 3.86 -0.53 0.11 115.15 123.87 3cxc h HIS 68 Ca 0.57 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.77 3cxc h HIS 68 Cb 1.09 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 29.17 3cxc h HIS 68 CO -0.00 0.80 -0.00 0.82 0.86 0.00 0.00 177.93 180.41 3cxc h ILE 69 N 1.24 1.53 -0.85 2.45 2.04 0.48 -2.78 117.51 121.62 3cxc h ILE 69 Ca 0.32 -1.65 0.12 0.00 1.00 0.00 0.00 64.86 64.65 3cxc h ILE 69 Cb -0.03 2.64 -0.08 0.00 -0.74 0.00 0.00 36.82 38.61 3cxc h ILE 69 CO -0.06 0.42 0.48 -0.33 0.00 0.00 0.00 178.15 178.66 3cxc h GLU 70 N -0.72 0.72 -0.29 2.37 5.08 -1.05 0.65 114.58 121.33 3cxc h GLU 70 Ca -0.00 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3cxc h GLU 70 Cb 0.70 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3cxc h GLU 70 CO 0.00 0.48 0.20 -0.91 -1.00 0.00 0.00 179.01 177.77 3cxc h ASN 71 N 0.74 0.20 -0.03 1.42 4.21 -0.79 -1.63 115.58 119.70 3cxc h ASN 71 Ca 0.44 -0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.92 3cxc h ASN 71 Cb 0.51 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.66 3cxc h ASN 71 CO -0.30 0.14 -0.08 0.24 -1.29 0.00 0.00 177.43 176.14 3cxc h MET 72 N 0.23 0.11 -0.10 0.81 2.86 0.52 -1.68 114.93 117.68 3cxc h MET 72 Ca 0.12 -0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 3cxc h MET 72 Cb 0.20 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 3cxc h MET 72 CO -0.02 0.69 -0.41 0.74 1.06 0.00 0.00 176.91 178.97 3cxc h PHE 73 N -0.45 -1.16 -0.93 -0.22 0.05 -0.52 -0.94 116.94 112.79 3cxc h PHE 73 Ca -0.00 0.04 0.12 0.00 3.82 0.00 0.00 57.97 61.95 3cxc h PHE 73 Cb 0.69 0.52 -0.08 0.00 2.00 0.00 0.00 35.95 39.08 3cxc h PHE 73 CO 0.13 -0.47 0.56 1.25 -0.18 0.00 0.00 178.31 179.60 3cxc h HIS 74 N -0.50 1.00 -0.54 -0.55 2.76 -1.34 -2.41 115.15 113.57 3cxc h HIS 74 Ca 0.07 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 3cxc h HIS 74 Cb 0.62 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 3cxc h HIS 74 CO -0.46 0.37 0.27 0.78 -1.30 0.00 0.00 177.93 177.59 3cxc h GLY 75 N 0.87 0.83 2.00 5.26 0.00 -0.22 0.75 103.07 112.56 3cxc h GLY 75 Ca 0.47 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3cxc h GLY 75 CO -0.28 0.39 0.00 3.33 0.00 0.00 0.00 176.54 179.98 3cxc n VAL 76 N -4.58 0.73 0.00 4.60 0.24 -0.58 -2.89 118.33 115.85 3cxc n VAL 76 Ca 0.03 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 3cxc n VAL 76 Cb 0.11 -0.90 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 3cxc n VAL 76 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3cxc n THR 77 N -1.71 0.00 -0.31 3.34 -2.24 -0.87 -0.64 114.28 111.84 3cxc n THR 77 Ca 0.04 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.87 3cxc n THR 77 Cb 0.24 -0.12 0.24 0.00 -2.10 0.00 0.00 70.33 68.59 3cxc n THR 77 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3cxc h GLU 78 N 0.00 0.99 0.00 -0.78 5.08 -1.55 -3.41 114.58 114.92 3cxc h GLU 78 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3cxc h GLU 78 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3cxc h GLU 78 CO 0.00 0.66 0.00 0.41 -1.00 0.00 0.00 179.01 179.08 3cxc n GLY 79 N -1.39 -3.65 2.98 -3.84 0.00 0.17 -4.99 105.19 94.47 3cxc n GLY 79 Ca 0.15 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 3cxc n GLY 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cxc s TRP 80 N -0.83 1.33 -0.04 1.61 0.52 -0.26 -4.62 118.94 116.65 3cxc s TRP 80 Ca 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 56.10 55.63 3cxc s TRP 80 Cb 0.00 -1.02 0.02 0.00 -1.15 0.00 0.00 33.47 31.32 3cxc s TRP 80 CO 0.00 -0.29 -0.05 -1.21 0.02 0.00 0.00 176.95 175.42 3cxc s GLU 81 N 0.85 0.77 -0.08 4.98 2.02 -1.26 -1.53 118.70 124.46 3cxc s GLU 81 Ca -0.11 -0.13 0.04 0.00 0.02 0.00 0.00 54.97 54.79 3cxc s GLU 81 Cb -0.15 -0.77 -0.01 0.00 0.10 0.00 0.00 34.13 33.30 3cxc s GLU 81 CO 0.01 -0.03 -0.22 0.71 0.02 0.00 0.00 175.26 175.76 3cxc s TYR 82 N 0.68 2.56 -0.09 1.61 1.51 0.47 -3.55 117.35 120.54 3cxc s TYR 82 Ca -0.09 -0.75 -0.02 0.00 -1.01 0.00 0.00 57.07 55.20 3cxc s TYR 82 Cb -0.12 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 3cxc s TYR 82 CO 0.00 -0.23 0.01 0.20 -1.11 0.00 0.00 175.55 174.42 3cxc s GLY 83 N 0.01 1.88 0.20 0.71 0.00 -0.51 -0.77 107.32 108.84 3cxc s GLY 83 Ca -0.08 -0.79 0.06 0.00 0.00 0.00 0.00 44.72 43.92 3cxc s GLY 83 CO 0.05 -0.55 -0.11 1.06 0.00 0.00 0.00 173.10 173.54 3cxc s MET 84 N -0.90 1.27 -0.07 2.90 -1.94 0.66 0.19 119.30 121.41 3cxc s MET 84 Ca 0.13 -1.57 0.01 0.00 -1.71 0.00 0.00 55.69 52.55 3cxc s MET 84 Cb -0.11 -0.93 0.02 0.00 2.01 0.00 0.00 34.83 35.82 3cxc s MET 84 CO 0.02 0.12 -0.06 -1.21 -0.01 0.00 0.00 175.02 173.88 3cxc s GLU 85 N -3.70 1.15 0.05 2.03 2.02 -0.20 -0.81 118.70 119.25 3cxc s GLU 85 Ca 0.22 -0.18 -0.24 0.00 0.02 0.00 0.00 54.97 54.79 3cxc s GLU 85 Cb 0.01 -1.15 -0.06 0.00 0.10 0.00 0.00 34.13 33.03 3cxc s GLU 85 CO 0.05 -0.12 0.73 0.54 0.02 0.00 0.00 175.26 176.48 3cxc s VAL 86 N 1.17 4.72 -0.05 2.63 0.11 -0.88 -1.48 120.40 126.61 3cxc s VAL 86 Ca -0.06 1.55 -0.03 0.00 -2.93 0.00 0.00 61.98 60.50 3cxc s VAL 86 Cb -0.14 -4.07 0.02 0.00 -1.53 0.00 0.00 36.38 30.66 3cxc s VAL 86 CO -0.01 0.40 0.12 0.12 -3.33 0.00 0.00 175.10 172.40 3cxc s PHE 87 N -0.25 -0.14 0.05 1.54 5.36 -0.62 -4.91 117.98 119.01 3cxc s PHE 87 Ca 0.36 0.37 -0.04 0.00 -0.96 0.00 0.00 56.93 56.67 3cxc s PHE 87 Cb -0.20 -0.02 -0.02 0.00 -0.34 0.00 0.00 43.02 42.44 3cxc s PHE 87 CO 0.22 -0.11 0.06 1.52 -1.46 0.00 0.00 175.22 175.45 3cxc s TYR 88 N 0.56 0.31 -0.09 10.12 -0.85 -1.26 0.03 117.35 126.17 3cxc s TYR 88 Ca -0.04 -0.71 0.09 0.00 -0.52 0.00 0.00 57.07 55.89 3cxc s TYR 88 Cb -0.06 -0.22 -0.13 0.00 0.38 0.00 0.00 41.96 41.93 3cxc s TYR 88 CO -0.03 -0.38 0.06 -1.13 -1.52 0.00 0.00 175.55 172.56 3cxc n SER 89 N 0.50 2.53 0.00 -0.18 3.41 -1.26 -4.91 113.62 113.71 3cxc n SER 89 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3cxc n SER 89 Cb 0.60 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 3cxc n SER 89 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3cxc n HIS 90 N -2.30 0.00 -3.65 7.33 -0.00 -1.26 -5.05 115.22 110.29 3cxc n HIS 90 Ca -0.14 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.20 3cxc n HIS 90 Cb 0.75 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.62 3cxc n HIS 90 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3cxc s PHE 91 N -1.11 3.17 -0.49 1.57 0.40 -1.26 -5.02 117.98 115.25 3cxc s PHE 91 Ca 0.00 -0.20 -0.26 0.00 -0.60 0.00 0.00 56.93 55.86 3cxc s PHE 91 Cb 0.00 -2.34 -0.06 0.00 0.51 0.00 0.00 43.02 41.13 3cxc s PHE 91 CO 0.00 -0.29 2.30 -2.14 0.70 0.00 0.00 175.22 175.78 3cxc s PRO 92 N 1.68 2.28 0.11 0.24 0.02 -1.26 -4.72 135.00 133.35 3cxc s PRO 92 Ca 0.06 1.33 -0.30 0.00 0.02 0.00 0.00 61.00 62.11 3cxc s PRO 92 Cb -0.16 -4.53 -0.06 0.00 0.02 0.00 0.00 34.50 29.77 3cxc s PRO 92 CO 0.08 -3.08 1.15 1.41 -0.33 0.00 0.00 177.00 176.22 3cxc s MET 93 N 7.88 4.50 -0.36 5.54 1.75 -1.26 -4.79 119.30 132.56 3cxc s MET 93 Ca 0.93 1.73 -0.03 0.00 -1.25 0.00 0.00 55.69 57.07 3cxc s MET 93 Cb -0.18 -3.32 0.08 0.00 2.84 0.00 0.00 34.83 34.25 3cxc s MET 93 CO 0.26 -0.11 0.11 -0.65 -0.65 0.00 0.00 175.02 173.99 3cxc s GLN 94 N 0.43 2.20 -0.28 4.11 -0.21 -0.11 -4.94 119.66 120.86 3cxc s GLN 94 Ca 0.54 -1.55 -0.17 0.00 0.02 0.00 0.00 55.36 54.20 3cxc s GLN 94 Cb -0.29 -3.41 -0.03 0.00 1.00 0.00 0.00 33.01 30.28 3cxc s GLN 94 CO 0.32 -0.86 0.47 0.08 -2.12 0.00 0.00 175.29 173.18 3cxc s VAL 95 N 1.20 5.09 0.04 1.09 1.01 -1.26 -0.63 120.40 126.94 3cxc s VAL 95 Ca 0.02 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.72 3cxc s VAL 95 Cb -0.21 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3cxc s VAL 95 CO -0.02 0.06 -0.07 0.20 0.00 0.00 0.00 175.10 175.27 3cxc s ASN 96 N 1.61 0.77 -0.37 3.32 -0.87 0.85 -4.99 114.94 115.27 3cxc s ASN 96 Ca 0.19 -0.53 -0.14 0.00 -1.57 0.00 0.00 52.86 50.81 3cxc s ASN 96 Cb -0.16 0.04 -0.00 0.00 -0.02 0.00 0.00 41.25 41.11 3cxc s ASN 96 CO 0.10 -0.21 0.28 -0.69 -2.57 0.00 0.00 177.10 174.02 3cxc s VAL 97 N -1.35 5.25 -0.26 1.60 1.01 -1.26 0.17 120.40 125.56 3cxc s VAL 97 Ca -0.10 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3cxc s VAL 97 Cb -0.10 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.53 3cxc s VAL 97 CO 0.00 -0.14 -0.05 -1.61 0.00 0.00 0.00 175.10 173.30 3cxc s GLU 98 N 1.76 1.74 7.92 2.72 2.02 -0.54 -4.94 118.70 129.38 3cxc s GLU 98 Ca 0.07 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.81 3cxc s GLU 98 Cb -0.18 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.31 3cxc s GLU 98 CO 0.11 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.13 3cxc n GLY 99 N 4.54 2.35 1.76 -1.39 0.00 -1.26 -3.19 105.19 108.00 3cxc n GLY 99 Ca -0.10 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 3cxc n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cxc n ASP 100 N 9.04 4.58 -3.64 1.61 8.00 -1.26 -4.97 116.55 129.91 3cxc n ASP 100 Ca 0.00 -3.78 -0.08 0.00 0.71 0.00 0.00 54.79 51.64 3cxc n ASP 100 Cb 0.00 -0.53 -0.07 0.00 -0.02 0.00 0.00 41.12 40.50 3cxc n ASP 100 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3cxc s GLU 101 N -3.53 0.72 0.08 -1.24 -1.05 -1.19 -1.05 118.70 111.44 3cxc s GLU 101 Ca 0.51 1.20 -0.30 0.00 -0.15 0.00 0.00 54.97 56.22 3cxc s GLU 101 Cb 0.42 0.17 -0.06 0.00 -0.44 0.00 0.00 34.13 34.23 3cxc s GLU 101 CO 0.01 -0.14 1.08 0.54 0.95 0.00 0.00 175.26 177.70 3cxc s VAL 102 N 1.49 4.26 0.01 1.83 0.11 -1.05 -1.47 120.40 125.59 3cxc s VAL 102 Ca -0.09 1.73 0.05 0.00 -2.93 0.00 0.00 61.98 60.75 3cxc s VAL 102 Cb -0.05 -4.11 -0.03 0.00 -1.53 0.00 0.00 36.38 30.66 3cxc s VAL 102 CO -0.17 0.20 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.96 3cxc s VAL 103 N 0.55 3.10 0.04 2.04 1.01 0.44 -2.85 120.40 124.74 3cxc s VAL 103 Ca 0.53 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.63 3cxc s VAL 103 Cb -0.26 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3cxc s VAL 103 CO 0.30 0.41 -0.26 -0.63 0.00 0.00 0.00 175.10 174.92 3cxc s ILE 104 N -0.91 2.13 0.03 2.22 1.01 0.10 -0.10 121.20 125.68 3cxc s ILE 104 Ca 0.15 -1.37 0.03 0.00 0.00 0.00 0.00 60.65 59.46 3cxc s ILE 104 Cb -0.11 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 3cxc s ILE 104 CO 0.05 0.38 -0.10 -1.61 0.00 0.00 0.00 174.94 173.66 3cxc s GLU 105 N -1.20 0.67 -1.19 2.79 2.02 0.20 -1.42 118.70 120.57 3cxc s GLU 105 Ca 0.12 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.51 3cxc s GLU 105 Cb -0.10 -0.60 0.00 0.00 0.10 0.00 0.00 34.13 33.53 3cxc s GLU 105 CO 0.02 0.14 0.00 -1.71 0.02 0.00 0.00 175.26 173.73 3cxc n ASN 106 N 2.06 -4.22 -4.69 -0.19 4.05 -1.22 -0.94 115.26 110.12 3cxc n ASN 106 Ca -0.18 0.09 -0.42 0.00 0.45 0.00 0.00 54.58 54.52 3cxc n ASN 106 Cb 0.56 -3.24 -0.03 0.00 1.23 0.00 0.00 39.78 38.30 3cxc n ASN 106 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 3cxc s PHE 107 N -2.60 2.06 -1.01 1.20 5.36 -1.26 -0.85 117.98 120.88 3cxc s PHE 107 Ca 0.00 -0.02 0.00 0.00 -0.96 0.00 0.00 56.93 55.95 3cxc s PHE 107 Cb 0.00 -4.14 0.00 0.00 -0.34 0.00 0.00 43.02 38.54 3cxc s PHE 107 CO 0.00 -4.77 0.00 1.28 -1.46 0.00 0.00 175.22 170.27 3cxc n LEU 108 N 6.00 -0.86 0.00 6.12 4.32 -1.26 -0.00 117.00 131.31 3cxc n LEU 108 Ca 0.18 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 3cxc n LEU 108 Cb 0.39 -1.82 0.00 0.00 -1.62 0.00 0.00 43.42 40.37 3cxc n LEU 108 CO 0.65 -0.34 0.00 0.61 -1.22 0.00 0.00 177.39 177.09 3cxc n GLY 109 N -0.46 1.04 3.67 -0.72 0.00 -0.03 -5.01 105.19 103.67 3cxc n GLY 109 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 3cxc n GLY 109 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cxc n GLU 110 N -2.00 1.95 0.08 1.61 1.02 1.00 -4.87 120.64 119.42 3cxc n GLU 110 Ca 0.00 0.69 -0.16 0.00 -0.02 0.00 0.00 57.16 57.67 3cxc n GLU 110 Cb 0.00 -2.29 -0.09 0.00 -0.02 0.00 0.00 31.44 29.05 3cxc n GLU 110 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3cxc h LYS 111 N 3.45 0.46 -5.90 3.49 1.57 -1.95 -3.22 116.57 114.46 3cxc h LYS 111 Ca -0.45 -0.56 -0.60 0.00 -1.87 0.00 0.00 60.65 57.17 3cxc h LYS 111 Cb 1.29 0.18 -0.10 0.00 0.08 0.00 0.00 32.23 33.68 3cxc h LYS 111 CO 0.70 1.21 0.49 0.00 -0.57 0.00 0.00 179.45 181.28 3cxc s ALA 112 N -3.09 3.49 0.35 3.86 0.00 -1.26 -4.86 121.76 120.25 3cxc s ALA 112 Ca -0.07 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 3cxc s ALA 112 Cb 0.08 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 3cxc s ALA 112 CO 0.89 -1.35 1.48 -2.14 0.00 0.00 0.00 175.76 174.64 3cxc s PRO 113 N 3.16 4.15 -0.05 0.00 0.02 -1.26 -4.85 135.00 136.17 3cxc s PRO 113 Ca 0.35 2.51 -0.11 0.00 0.02 0.00 0.00 61.00 63.77 3cxc s PRO 113 Cb -0.13 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 3cxc s PRO 113 CO 0.15 -0.50 0.28 1.03 -0.33 0.00 0.00 177.00 177.63 3cxc s ARG 114 N -1.68 3.69 0.08 5.54 0.52 -0.51 -4.92 118.95 121.68 3cxc s ARG 114 Ca 0.54 0.15 -0.07 0.00 -0.52 0.00 0.00 55.73 55.84 3cxc s ARG 114 Cb -0.46 -3.20 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 3cxc s ARG 114 CO 0.58 0.73 0.15 -0.98 0.02 0.00 0.00 175.30 175.80 3cxc s ARG 115 N -1.08 0.81 -0.06 3.54 1.70 -1.26 0.03 118.95 122.62 3cxc s ARG 115 Ca 0.20 -1.01 -0.14 0.00 -0.47 0.00 0.00 55.73 54.30 3cxc s ARG 115 Cb -0.14 0.32 0.03 0.00 -0.57 0.00 0.00 34.95 34.58 3cxc s ARG 115 CO 0.09 -0.24 0.34 -0.08 -1.08 0.00 0.00 175.30 174.33 3cxc s THR 116 N -3.88 0.03 -0.04 4.99 -1.32 -1.13 -5.05 115.64 109.25 3cxc s THR 116 Ca 0.06 -0.28 -0.17 0.00 -1.21 0.00 0.00 61.69 60.09 3cxc s THR 116 Cb 0.05 -0.58 -0.05 0.00 -1.51 0.00 0.00 72.50 70.41 3cxc s THR 116 CO -0.10 -0.15 0.48 -0.89 -2.21 0.00 0.00 174.62 171.74 3cxc s THR 117 N -0.74 5.04 0.08 5.08 2.01 -1.26 -2.51 115.64 123.34 3cxc s THR 117 Ca -0.08 0.99 -0.31 0.00 0.31 0.00 0.00 61.69 62.60 3cxc s THR 117 Cb -0.04 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 3cxc s THR 117 CO 0.03 0.45 1.23 -0.63 -0.69 0.00 0.00 174.62 175.01 3cxc s ILE 118 N -0.28 3.87 0.02 1.82 1.01 -0.22 -4.97 121.20 122.45 3cxc s ILE 118 Ca 0.26 1.36 -0.28 0.00 0.00 0.00 0.00 60.65 62.00 3cxc s ILE 118 Cb -0.17 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 3cxc s ILE 118 CO 0.13 0.12 0.89 -1.00 0.00 0.00 0.00 174.94 175.08 3cxc s HIS 119 N 0.94 3.69 0.00 3.97 3.76 -1.26 -4.92 115.29 121.46 3cxc s HIS 119 Ca 0.59 1.60 0.00 0.00 -0.15 0.00 0.00 55.06 57.10 3cxc s HIS 119 Cb -0.31 -3.00 0.00 0.00 1.11 0.00 0.00 32.58 30.38 3cxc s HIS 119 CO 0.30 0.09 0.00 0.41 -0.85 0.00 0.00 174.74 174.70 3cxc n GLY 120 N 2.73 0.95 1.65 -2.22 0.00 -1.26 -2.96 105.19 104.08 3cxc n GLY 120 Ca 0.03 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 3cxc n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cxc n ASP 121 N -3.34 5.75 -4.73 1.61 8.00 -1.26 -4.89 116.55 117.68 3cxc n ASP 121 Ca 0.00 -2.64 -0.40 0.00 0.71 0.00 0.00 54.79 52.45 3cxc n ASP 121 Cb 0.00 -1.11 -0.05 0.00 -0.02 0.00 0.00 41.12 39.94 3cxc n ASP 121 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3cxc s THR 122 N -0.79 4.83 -0.24 -3.53 2.01 -1.16 -4.69 115.64 112.08 3cxc s THR 122 Ca 0.12 1.65 -0.08 0.00 0.31 0.00 0.00 61.69 63.69 3cxc s THR 122 Cb 0.09 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3cxc s THR 122 CO -0.00 0.30 0.10 -1.81 -0.69 0.00 0.00 174.62 172.52 3cxc s ASP 123 N 0.34 5.55 -0.67 3.53 1.01 0.33 -4.90 116.67 121.85 3cxc s ASP 123 Ca 0.40 -0.06 -0.05 0.00 0.71 0.00 0.00 52.55 53.55 3cxc s ASP 123 Cb -0.20 -1.99 0.17 0.00 1.01 0.00 0.00 42.92 41.91 3cxc s ASP 123 CO 0.23 0.02 0.52 -0.69 0.21 0.00 0.00 175.17 175.46 3cxc s VAL 124 N 1.28 4.14 -0.24 -1.27 1.01 -1.26 -1.41 120.40 122.65 3cxc s VAL 124 Ca 0.06 -2.86 -0.19 0.00 0.00 0.00 0.00 61.98 58.99 3cxc s VAL 124 Cb -0.14 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3cxc s VAL 124 CO 0.05 -0.91 0.54 -1.61 0.00 0.00 0.00 175.10 173.16 3cxc s GLU 125 N -0.03 4.12 -0.08 2.72 2.02 -1.06 -4.91 118.70 121.48 3cxc s GLU 125 Ca 0.17 0.39 0.01 0.00 0.02 0.00 0.00 54.97 55.56 3cxc s GLU 125 Cb -0.18 -3.62 -0.03 0.00 0.10 0.00 0.00 34.13 30.40 3cxc s GLU 125 CO -0.05 -0.30 -0.08 -1.50 0.02 0.00 0.00 175.26 173.35 3cxc s ILE 126 N 2.13 3.55 -0.28 -1.63 2.07 -1.26 -1.49 121.20 124.28 3cxc s ILE 126 Ca 0.23 -0.52 -0.02 0.00 -1.41 0.00 0.00 60.65 58.93 3cxc s ILE 126 Cb -0.16 -2.46 0.12 0.00 0.13 0.00 0.00 42.46 40.10 3cxc s ILE 126 CO 0.09 0.58 0.23 -0.62 -1.91 0.00 0.00 174.94 173.31 3cxc s ASP 127 N -0.54 2.30 1.45 4.50 -1.08 -0.19 -5.03 116.67 118.07 3cxc s ASP 127 Ca 0.08 -0.91 0.00 0.00 -0.52 0.00 0.00 52.55 51.20 3cxc s ASP 127 Cb -0.12 0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.55 3cxc s ASP 127 CO 0.02 -0.40 0.00 0.61 0.52 0.00 0.00 175.17 175.92 3cxc n GLY 128 N 5.29 1.88 1.66 2.66 0.00 -1.26 -2.36 105.19 113.06 3cxc n GLY 128 Ca -0.04 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.60 3cxc n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cxc n GLU 129 N 12.89 3.96 -4.88 1.61 -0.58 -1.26 -4.88 120.64 127.50 3cxc n GLU 129 Ca 0.00 -2.53 -0.26 0.00 -0.42 0.00 0.00 57.16 53.95 3cxc n GLU 129 Cb 0.00 -2.11 -0.16 0.00 -0.57 0.00 0.00 31.44 28.61 3cxc n GLU 129 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3cxc s GLU 130 N -2.45 1.59 0.15 3.49 2.02 -1.00 -2.08 118.70 120.43 3cxc s GLU 130 Ca 0.44 -0.65 0.09 0.00 0.02 0.00 0.00 54.97 54.87 3cxc s GLU 130 Cb 0.34 -1.49 -0.04 0.00 0.10 0.00 0.00 34.13 33.05 3cxc s GLU 130 CO 0.12 0.36 -0.21 -0.51 0.02 0.00 0.00 175.26 175.04 3cxc s LEU 131 N -0.31 2.38 -0.27 1.80 1.43 0.01 -1.02 118.68 122.70 3cxc s LEU 131 Ca 0.04 -0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 52.32 3cxc s LEU 131 Cb -0.08 -0.93 0.11 0.00 0.03 0.00 0.00 46.19 45.31 3cxc s LEU 131 CO 0.00 0.04 0.21 0.28 0.23 0.00 0.00 176.35 177.11 3cxc s THR 132 N -1.61 -0.24 -0.14 5.49 -1.32 -0.56 -0.24 115.64 117.02 3cxc s THR 132 Ca 0.13 -0.51 -0.22 0.00 -1.21 0.00 0.00 61.69 59.88 3cxc s THR 132 Cb -0.08 -0.91 -0.03 0.00 -1.51 0.00 0.00 72.50 69.97 3cxc s THR 132 CO 0.06 -0.51 0.65 -0.69 -2.21 0.00 0.00 174.62 171.92 3cxc s VAL 133 N 2.24 5.04 0.06 5.08 1.01 0.05 -2.55 120.40 131.33 3cxc s VAL 133 Ca 0.08 1.28 -0.10 0.00 0.00 0.00 0.00 61.98 63.25 3cxc s VAL 133 Cb -0.15 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3cxc s VAL 133 CO -0.30 0.18 0.21 -0.94 0.00 0.00 0.00 175.10 174.25 3cxc s SER 134 N 0.98 0.05 0.00 3.32 1.04 -0.50 -0.40 113.70 118.20 3cxc s SER 134 Ca 0.32 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.27 3cxc s SER 134 Cb -0.16 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3cxc s SER 134 CO 0.13 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.31 3cxc n GLY 135 N 0.32 -0.68 0.11 7.32 0.00 -0.58 -0.51 105.19 111.16 3cxc n GLY 135 Ca -0.17 -1.13 0.07 0.00 0.00 0.00 0.00 46.02 44.78 3cxc n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cxc h PRO 136 N 0.00 0.00 -4.22 1.61 0.13 -1.85 -0.68 132.00 126.99 3cxc h PRO 136 Ca 0.00 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.38 3cxc h PRO 136 Cb 0.00 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 30.90 3cxc h PRO 136 CO 0.00 0.13 -0.04 0.34 -0.23 0.00 0.00 178.00 178.20 3cxc s ASP 137 N -5.59 6.31 0.30 1.44 -1.08 -1.26 -4.35 116.67 112.44 3cxc s ASP 137 Ca -0.01 -1.88 0.06 0.00 -0.52 0.00 0.00 52.55 50.20 3cxc s ASP 137 Cb 0.09 -2.24 0.76 0.00 -1.46 0.00 0.00 42.92 40.07 3cxc s ASP 137 CO 0.79 -0.88 1.74 -0.29 0.52 0.00 0.00 175.17 177.06 3cxc h ILE 138 N 5.69 0.61 -0.64 4.11 2.10 -1.88 -0.80 117.51 126.71 3cxc h ILE 138 Ca -0.21 -0.21 0.12 0.00 1.08 0.00 0.00 64.86 65.64 3cxc h ILE 138 Cb 1.08 -0.07 -0.09 0.00 -1.09 0.00 0.00 36.82 36.66 3cxc h ILE 138 CO 1.00 0.11 0.15 -0.33 -1.08 0.00 0.00 178.15 178.01 3cxc h GLU 139 N 0.62 0.28 -0.13 2.19 4.39 -1.99 0.48 114.58 120.42 3cxc h GLU 139 Ca 0.59 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 60.17 3cxc h GLU 139 Cb 1.01 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 3cxc h GLU 139 CO -0.44 0.18 -0.30 0.00 -1.16 0.00 0.00 179.01 177.29 3cxc h ALA 140 N 1.50 0.21 0.37 3.43 0.00 -1.49 -3.03 119.26 120.25 3cxc h ALA 140 Ca 0.34 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3cxc h ALA 140 Cb 0.51 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3cxc h ALA 140 CO -0.41 0.24 -0.28 0.28 0.00 0.00 0.00 179.25 179.07 3cxc h VAL 141 N 0.02 0.42 -0.75 0.00 2.07 -1.05 0.40 116.25 117.37 3cxc h VAL 141 Ca -0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3cxc h VAL 141 Cb 0.91 0.42 -0.10 0.00 -1.52 0.00 0.00 31.29 31.00 3cxc h VAL 141 CO 0.07 0.00 0.26 1.23 0.02 0.00 0.00 177.57 179.15 3cxc h GLY 142 N -0.65 1.11 1.12 2.17 0.00 -1.01 0.54 103.07 106.35 3cxc h GLY 142 Ca -0.03 -0.11 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 3cxc h GLY 142 CO 0.00 -0.14 -0.45 1.46 0.00 0.00 0.00 176.54 177.41 3cxc h GLN 143 N 0.38 0.88 -0.70 4.80 1.08 -1.38 -0.47 115.11 119.69 3cxc h GLN 143 Ca 0.42 -0.51 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 3cxc h GLN 143 Cb 0.67 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.11 3cxc h GLN 143 CO -0.44 1.16 0.40 1.15 -0.95 0.00 0.00 178.83 180.14 3cxc h THR 144 N 0.68 1.21 0.51 -0.54 2.02 0.08 1.96 112.91 118.83 3cxc h THR 144 Ca 0.04 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3cxc h THR 144 Cb 1.05 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3cxc h THR 144 CO 0.11 0.23 -0.24 0.00 0.37 0.00 0.00 175.52 175.98 3cxc h ALA 145 N 1.20 -0.68 -0.57 6.16 0.00 -0.91 -1.80 119.26 122.66 3cxc h ALA 145 Ca 0.25 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3cxc h ALA 145 Cb 0.01 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 3cxc h ALA 145 CO -0.04 -0.75 -0.12 0.00 0.00 0.00 0.00 179.25 178.34 3cxc h ALA 146 N -0.62 0.41 -0.98 0.00 0.00 -0.70 0.27 119.26 117.64 3cxc h ALA 146 Ca -0.07 0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3cxc h ALA 146 Cb 0.61 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 3cxc h ALA 146 CO 0.11 -0.43 0.62 -0.44 0.00 0.00 0.00 179.25 179.11 3cxc h ASP 147 N 0.02 0.93 -0.25 0.00 3.32 0.32 0.11 116.42 120.86 3cxc h ASP 147 Ca 0.28 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 3cxc h ASP 147 Cb 0.43 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3cxc h ASP 147 CO -0.57 0.52 0.11 0.40 -1.72 0.00 0.00 179.24 177.98 3cxc h ILE 148 N 1.02 1.16 -0.21 0.35 2.04 0.37 0.16 117.51 122.39 3cxc h ILE 148 Ca 0.47 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 3cxc h ILE 148 Cb 0.39 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3cxc h ILE 148 CO -0.24 0.16 0.07 -0.08 0.00 0.00 0.00 178.15 178.06 3cxc h GLU 149 N 0.26 0.33 -0.82 2.37 4.81 -0.24 -2.79 114.58 118.50 3cxc h GLU 149 Ca 0.08 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 3cxc h GLU 149 Cb 0.15 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 3cxc h GLU 149 CO -0.01 0.42 0.47 1.96 -0.73 0.00 0.00 179.01 181.11 3cxc h GLN 150 N 0.17 0.76 -1.54 1.92 1.08 -0.66 -2.33 115.11 114.52 3cxc h GLN 150 Ca 0.07 -0.05 0.45 0.00 -1.45 0.00 0.00 58.65 57.67 3cxc h GLN 150 Cb 0.22 -0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.42 3cxc h GLN 150 CO -0.00 0.50 1.15 1.25 -0.95 0.00 0.00 178.83 180.78 3cxc h LEU 151 N 0.78 0.00 -3.80 1.46 5.85 -0.39 1.04 115.31 120.25 3cxc h LEU 151 Ca 0.39 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.82 3cxc h LEU 151 Cb 0.36 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.21 3cxc h LEU 151 CO -0.25 0.00 0.37 0.35 -0.34 0.00 0.00 178.44 178.57 3cxc n THR 152 N -3.96 3.00 -2.01 1.05 -2.24 -0.88 -4.98 114.28 104.26 3cxc n THR 152 Ca 0.34 -1.76 -0.37 0.00 -2.27 0.00 0.00 64.05 60.00 3cxc n THR 152 Cb 1.63 -0.39 0.03 0.00 -2.10 0.00 0.00 70.33 69.50 3cxc n THR 152 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3cxc s ARG 153 N -3.09 3.16 -0.06 -0.78 3.52 0.36 -4.87 118.95 117.19 3cxc s ARG 153 Ca 0.55 1.91 -0.02 0.00 -0.13 0.00 0.00 55.73 58.04 3cxc s ARG 153 Cb 0.45 -2.09 0.04 0.00 -1.56 0.00 0.00 34.95 31.79 3cxc s ARG 153 CO 0.12 -1.08 0.13 -1.50 -0.81 0.00 0.00 175.30 172.16 3cxc s ILE 154 N -1.52 -0.05 -0.01 4.11 2.07 -1.26 -5.04 121.20 119.50 3cxc s ILE 154 Ca 0.74 0.19 0.02 0.00 -1.41 0.00 0.00 60.65 60.19 3cxc s ILE 154 Cb -0.32 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 3cxc s ILE 154 CO 0.36 0.08 0.03 0.59 -1.91 0.00 0.00 174.94 174.10 3cxc n ASN 155 N 4.23 4.43 -0.02 4.50 3.02 -1.26 -4.72 115.26 125.44 3cxc n ASN 155 Ca -0.26 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.28 3cxc n ASN 155 Cb 0.51 0.87 0.28 0.00 -0.61 0.00 0.00 39.78 40.83 3cxc n ASN 155 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3cxc h ASP 156 N 0.00 0.52 -3.60 6.41 2.03 -2.05 -3.46 116.42 116.27 3cxc h ASP 156 Ca -0.03 -0.10 -0.41 0.00 -0.73 0.00 0.00 57.03 55.76 3cxc h ASP 156 Cb 0.56 -0.14 -0.14 0.00 -0.83 0.00 0.00 39.33 38.78 3cxc h ASP 156 CO 0.00 0.59 -0.67 -0.54 -1.03 0.00 0.00 179.24 177.59 3cxc s LYS 157 N -4.98 1.37 -0.22 4.15 1.02 -1.26 -5.09 119.74 114.73 3cxc s LYS 157 Ca -0.08 -1.68 -0.35 0.00 0.02 0.00 0.00 55.97 53.89 3cxc s LYS 157 Cb 0.15 -0.78 -0.11 0.00 -0.52 0.00 0.00 37.83 36.57 3cxc s LYS 157 CO 0.77 -0.03 2.01 -3.47 -0.92 0.00 0.00 175.35 173.70 3cxc n ASP 158 N -0.44 2.84 0.25 2.83 -0.08 -1.26 -4.85 116.55 115.83 3cxc n ASP 158 Ca -0.06 0.71 0.13 0.00 -1.51 0.00 0.00 54.79 54.06 3cxc n ASP 158 Cb 0.63 -1.32 0.62 0.00 2.34 0.00 0.00 41.12 43.39 3cxc n ASP 158 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3cxc h VAL 159 N 6.18 0.43 -0.09 5.18 2.07 -1.90 -1.20 116.25 126.92 3cxc h VAL 159 Ca -0.40 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.26 3cxc h VAL 159 Cb 1.29 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3cxc h VAL 159 CO 0.98 0.14 -0.33 0.03 0.02 0.00 0.00 177.57 178.40 3cxc h ARG 160 N 0.00 0.17 0.01 1.57 3.08 -2.01 -3.28 114.38 113.92 3cxc h ARG 160 Ca -0.00 -0.07 -0.27 0.00 0.07 0.00 0.00 59.98 59.72 3cxc h ARG 160 Cb 0.54 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 3cxc h ARG 160 CO 0.02 0.49 -1.45 0.28 -1.07 0.00 0.00 179.97 178.24 3cxc n VAL 161 N -4.11 1.56 -3.22 2.04 0.31 -0.99 -4.65 118.33 109.28 3cxc n VAL 161 Ca -0.01 -0.12 -0.45 0.00 -0.01 0.00 0.00 64.34 63.74 3cxc n VAL 161 Cb 0.41 -1.99 -0.01 0.00 -0.91 0.00 0.00 33.84 31.33 3cxc n VAL 161 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3cxc s PHE 162 N -2.40 3.83 -2.30 3.52 0.40 -0.49 -4.83 117.98 115.71 3cxc s PHE 162 Ca -0.29 -2.19 0.22 0.00 -0.60 0.00 0.00 56.93 54.07 3cxc s PHE 162 Cb 0.07 -3.97 0.52 0.00 0.51 0.00 0.00 43.02 40.15 3cxc s PHE 162 CO 0.60 -1.11 1.45 1.04 0.70 0.00 0.00 175.22 177.90 3cxc n GLN 163 N 4.11 2.40 -1.51 0.44 6.02 -1.24 -4.60 117.38 123.00 3cxc n GLN 163 Ca 0.22 -2.14 -0.37 0.00 -0.01 0.00 0.00 57.00 54.71 3cxc n GLN 163 Cb 0.44 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 30.26 3cxc n GLN 163 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3cxc n ASP 164 N 1.30 0.19 0.00 1.08 9.92 -1.26 -4.88 116.55 122.90 3cxc n ASP 164 Ca 0.20 0.74 0.00 0.00 -0.53 0.00 0.00 54.79 55.19 3cxc n ASP 164 Cb 0.55 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 3cxc n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cxc n GLY 165 N 1.38 3.33 3.85 0.44 0.00 0.10 -4.99 105.19 109.30 3cxc n GLY 165 Ca 0.13 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 3cxc n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cxc s VAL 166 N -2.00 5.35 0.14 1.61 1.01 -1.26 -1.59 120.40 123.66 3cxc s VAL 166 Ca 0.00 0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.45 3cxc s VAL 166 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3cxc s VAL 166 CO 0.00 0.59 -0.13 -0.31 0.00 0.00 0.00 175.10 175.25 3cxc s TYR 167 N -0.91 1.37 -0.44 5.22 1.51 -0.55 -4.33 117.35 119.22 3cxc s TYR 167 Ca 0.17 -0.63 -0.28 0.00 -1.01 0.00 0.00 57.07 55.32 3cxc s TYR 167 Cb -0.13 -0.70 0.03 0.00 -0.11 0.00 0.00 41.96 41.04 3cxc s TYR 167 CO 0.06 0.14 1.09 0.42 -1.11 0.00 0.00 175.55 176.16 3cxc s ILE 168 N -2.62 4.31 -0.04 2.71 -1.09 -1.26 -1.03 121.20 122.18 3cxc s ILE 168 Ca 0.12 1.29 0.06 0.00 -2.23 0.00 0.00 60.65 59.90 3cxc s ILE 168 Cb -0.02 -4.54 -0.24 0.00 -1.58 0.00 0.00 42.46 36.08 3cxc s ILE 168 CO 0.02 -0.86 0.67 0.74 -1.23 0.00 0.00 174.94 174.29 3cxc h THR 169 N 6.09 0.90 -3.28 2.92 2.02 0.17 -3.47 112.91 118.27 3cxc h THR 169 Ca -0.23 -2.70 -0.29 0.00 0.77 0.00 0.00 66.41 63.97 3cxc h THR 169 Cb 1.06 2.51 -0.35 0.00 -1.74 0.00 0.00 68.15 69.64 3cxc h THR 169 CO 1.09 0.64 -0.66 -0.13 0.37 0.00 0.00 175.52 176.83 3cxc s ARG 170 N -2.60 0.01 -0.12 6.66 0.52 -0.90 -4.94 118.95 117.58 3cxc s ARG 170 Ca -0.08 0.39 -0.05 0.00 -0.52 0.00 0.00 55.73 55.46 3cxc s ARG 170 Cb 0.08 -0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.23 3cxc s ARG 170 CO 0.82 -0.24 0.07 0.15 0.02 0.00 0.00 175.30 176.12 3cxc s LYS 171 N 1.65 3.41 0.00 3.54 1.02 -1.26 -1.42 119.74 126.67 3cxc s LYS 171 Ca -0.03 -0.29 0.09 0.00 0.02 0.00 0.00 55.97 55.76 3cxc s LYS 171 Cb -0.12 -3.05 0.53 0.00 -0.52 0.00 0.00 37.83 34.67 3cxc s LYS 171 CO -0.05 0.62 0.98 -0.35 -0.92 0.00 0.00 175.35 175.64