#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc s PRO 2 N 0.00 3.52 0.61 1.97 0.02 -1.26 -4.91 135.00 134.95 3cxc s PRO 2 Ca 0.00 1.93 0.40 0.00 0.02 0.00 0.00 61.00 63.35 3cxc s PRO 2 Cb 0.00 -2.34 2.00 0.00 0.02 0.00 0.00 34.50 34.19 3cxc s PRO 2 CO 0.00 -0.79 2.20 0.78 -0.33 0.00 0.00 177.00 178.86 3cxc h GLY 3 N 1.80 0.00 0.37 0.52 0.00 -2.01 -2.32 103.07 101.43 3cxc h GLY 3 Ca -0.50 0.00 0.13 0.00 0.00 0.00 0.00 47.33 46.96 3cxc h GLY 3 CO 0.59 0.00 0.55 0.00 0.00 0.00 0.00 176.54 177.68 3cxc h ALA 4 N 2.01 1.41 0.00 3.60 0.00 -2.00 -0.58 119.26 123.69 3cxc h ALA 4 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3cxc h ALA 4 Cb 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3cxc h ALA 4 CO 0.00 0.08 -0.13 0.52 0.00 0.00 0.00 179.25 179.72 3cxc h MET 5 N 0.82 0.00 0.00 0.00 2.86 -1.80 -3.35 114.93 113.47 3cxc h MET 5 Ca 0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 3cxc h MET 5 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 3cxc h MET 5 CO -0.30 0.13 -0.33 0.66 1.06 0.00 0.00 176.91 178.12 3cxc n TYR 6 N -3.72 0.00 1.61 -0.22 4.02 -0.58 -4.88 117.16 113.39 3cxc n TYR 6 Ca -0.02 -0.17 0.14 0.00 -0.01 0.00 0.00 57.90 57.83 3cxc n TYR 6 Cb 0.24 -0.06 0.60 0.00 -0.02 0.00 0.00 39.34 40.10 3cxc n TYR 6 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 3cxc n ARG 7 N -0.24 1.47 -4.54 -0.72 1.85 -0.33 -4.50 116.66 109.65 3cxc n ARG 7 Ca 0.03 -0.69 -0.34 0.00 -1.00 0.00 0.00 57.85 55.85 3cxc n ARG 7 Cb 0.65 -1.46 -0.11 0.00 -1.05 0.00 0.00 32.46 30.49 3cxc n ARG 7 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3cxc s ASN 8 N -1.90 4.77 -0.39 2.89 0.02 -1.26 -2.40 114.94 116.68 3cxc s ASN 8 Ca 0.39 -0.01 -0.03 0.00 -1.02 0.00 0.00 52.86 52.19 3cxc s ASN 8 Cb 0.20 -1.22 0.06 0.00 0.02 0.00 0.00 41.25 40.32 3cxc s ASN 8 CO 0.32 0.35 2.70 -1.20 0.02 0.00 0.00 177.10 179.29 3cxc n SER 9 N 2.07 6.36 0.03 -1.22 7.64 -1.26 -4.46 113.62 122.78 3cxc n SER 9 Ca -0.17 -3.11 -0.03 0.00 1.01 0.00 0.00 58.87 56.56 3cxc n SER 9 Cb 0.53 -1.21 -0.10 0.00 -1.01 0.00 0.00 64.21 62.42 3cxc n SER 9 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3cxc h SER 10 N 2.69 0.00 -4.58 6.43 4.64 -1.98 -3.48 113.55 117.27 3cxc h SER 10 Ca 0.35 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.20 3cxc h SER 10 Cb 0.83 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.02 3cxc h SER 10 CO 0.79 0.75 0.41 -0.54 -0.87 0.00 0.00 176.83 177.38 3cxc s LYS 11 N -2.80 1.92 0.66 4.77 1.02 -1.26 -5.04 119.74 119.00 3cxc s LYS 11 Ca -0.02 0.08 -0.13 0.00 0.02 0.00 0.00 55.97 55.91 3cxc s LYS 11 Cb 0.08 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 3cxc s LYS 11 CO 0.81 -1.62 1.07 -2.14 -0.92 0.00 0.00 175.35 172.55 3cxc s PRO 12 N -5.58 2.99 -0.03 -1.68 0.02 -1.26 -4.93 135.00 124.52 3cxc s PRO 12 Ca 0.62 1.15 -0.30 0.00 0.02 0.00 0.00 61.00 62.49 3cxc s PRO 12 Cb -0.11 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.37 3cxc s PRO 12 CO 0.49 -1.07 1.55 0.00 -0.33 0.00 0.00 177.00 177.64 3cxc s ALA 13 N -2.68 3.62 -0.47 -1.55 0.00 -1.26 -4.94 121.76 114.49 3cxc s ALA 13 Ca 0.62 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.54 3cxc s ALA 13 Cb -0.16 -3.69 0.12 0.00 0.00 0.00 0.00 23.12 19.40 3cxc s ALA 13 CO 0.45 -1.20 0.21 -0.47 0.00 0.00 0.00 175.76 174.75 3cxc s TYR 14 N 3.33 3.22 0.00 0.00 5.04 -1.26 -4.89 117.35 122.79 3cxc s TYR 14 Ca 0.69 -3.08 0.00 0.00 -2.44 0.00 0.00 57.07 52.25 3cxc s TYR 14 Cb -0.33 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.21 3cxc s TYR 14 CO 0.28 -0.79 0.00 0.25 -1.34 0.00 0.00 175.55 173.94 3cxc n THR 15 N 3.42 0.00 -2.36 4.34 -2.24 -1.26 -0.81 114.28 115.36 3cxc n THR 15 Ca 0.05 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.47 3cxc n THR 15 Cb 0.35 1.87 -0.04 0.00 -2.10 0.00 0.00 70.33 70.41 3cxc n THR 15 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3cxc s ARG 16 N 0.00 3.16 0.61 -0.78 1.81 -1.26 -4.80 118.95 117.69 3cxc s ARG 16 Ca 0.00 -0.66 0.33 0.00 -1.72 0.00 0.00 55.73 53.68 3cxc s ARG 16 Cb 0.00 -5.09 1.95 0.00 -0.45 0.00 0.00 34.95 31.36 3cxc s ARG 16 CO 0.00 -2.61 2.26 0.00 -0.68 0.00 0.00 175.30 174.27 3cxc h ARG 17 N 10.61 0.00 0.00 3.54 3.08 -1.96 0.36 114.38 130.02 3cxc h ARG 17 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3cxc h ARG 17 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3cxc h ARG 17 CO 1.33 0.00 0.00 1.05 -1.07 0.00 0.00 179.97 181.28 3cxc h GLU 18 N 0.00 0.00 0.00 0.04 9.09 -2.06 -2.36 114.58 119.29 3cxc h GLU 18 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 3cxc h GLU 18 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 3cxc h GLU 18 CO -0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 3cxc n TYR 19 N -2.66 0.00 -5.15 2.06 4.02 0.12 -5.01 117.16 110.55 3cxc n TYR 19 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.58 3cxc n TYR 19 Cb 0.10 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.26 3cxc n TYR 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3cxc s ILE 20 N -0.06 2.00 0.05 -0.72 1.01 -0.78 -5.07 121.20 117.63 3cxc s ILE 20 Ca 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 60.65 59.52 3cxc s ILE 20 Cb 0.00 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3cxc s ILE 20 CO 0.00 0.50 -0.07 -0.94 0.00 0.00 0.00 174.94 174.43 3cxc s SER 21 N -0.77 0.79 0.00 3.58 1.04 -1.26 -4.66 113.70 112.42 3cxc s SER 21 Ca 0.10 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3cxc s SER 21 Cb -0.10 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.09 3cxc s SER 21 CO -0.00 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.55 3cxc n GLY 22 N 1.17 0.62 3.69 7.32 0.00 -1.26 -4.81 105.19 111.92 3cxc n GLY 22 Ca -0.21 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 3cxc n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cxc s ILE 23 N -2.00 4.23 0.47 -0.61 1.01 -1.26 -4.80 121.20 118.23 3cxc s ILE 23 Ca 0.00 1.56 -0.24 0.00 0.00 0.00 0.00 60.65 61.97 3cxc s ILE 23 Cb 0.00 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 3cxc s ILE 23 CO 0.00 -0.01 1.31 -2.84 0.00 0.00 0.00 174.94 173.40 3cxc s PRO 24 N 2.27 3.64 0.76 2.79 0.02 -1.26 -4.99 135.00 138.23 3cxc s PRO 24 Ca 0.56 2.13 -0.11 0.00 0.02 0.00 0.00 61.00 63.60 3cxc s PRO 24 Cb -0.25 -2.52 0.05 0.00 0.02 0.00 0.00 34.50 31.80 3cxc s PRO 24 CO 0.22 -0.76 1.09 0.20 -0.33 0.00 0.00 177.00 177.42 3cxc s GLY 25 N -0.91 1.75 0.41 0.52 0.00 -1.26 -4.82 107.32 103.01 3cxc s GLY 25 Ca 0.63 0.31 -0.24 0.00 0.00 0.00 0.00 44.72 45.43 3cxc s GLY 25 CO 0.46 0.66 1.06 1.25 0.00 0.00 0.00 173.10 176.53 3cxc s LYS 26 N -4.78 4.12 0.00 2.90 2.20 -1.26 -4.94 119.74 117.97 3cxc s LYS 26 Ca 0.62 1.53 0.26 0.00 -0.36 0.00 0.00 55.97 58.02 3cxc s LYS 26 Cb -0.18 -2.51 0.74 0.00 -1.51 0.00 0.00 37.83 34.38 3cxc s LYS 26 CO 0.54 -0.19 1.56 1.63 -0.36 0.00 0.00 175.35 178.53 3cxc n LYS 27 N -0.15 1.14 -2.25 4.03 5.02 -1.26 -4.85 118.16 119.85 3cxc n LYS 27 Ca 0.05 -0.72 -0.43 0.00 -2.02 0.00 0.00 58.31 55.20 3cxc n LYS 27 Cb 0.50 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 3cxc n LYS 27 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3cxc s ILE 28 N -2.35 3.84 0.05 -0.18 1.01 -1.26 -4.81 121.20 117.49 3cxc s ILE 28 Ca 0.27 0.89 -0.27 0.00 0.00 0.00 0.00 60.65 61.55 3cxc s ILE 28 Cb 0.20 -3.99 -0.17 0.00 0.01 0.00 0.00 42.46 38.51 3cxc s ILE 28 CO 0.47 -0.53 1.50 0.00 0.00 0.00 0.00 174.94 176.37 3cxc h ALA 29 N 10.76 -0.47 -2.69 9.38 0.00 -1.95 -3.47 119.26 130.82 3cxc h ALA 29 Ca -0.30 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 3cxc h ALA 29 Cb 1.12 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 3cxc h ALA 29 CO 1.05 -0.69 -0.27 -0.65 0.00 0.00 0.00 179.25 178.68 3cxc s GLN 30 N -5.51 1.23 -0.06 0.00 -0.21 -1.26 -5.06 119.66 108.79 3cxc s GLN 30 Ca -0.15 -1.17 0.05 0.00 0.02 0.00 0.00 55.36 54.10 3cxc s GLN 30 Cb 0.04 0.40 -0.07 0.00 1.00 0.00 0.00 33.01 34.37 3cxc s GLN 30 CO 0.60 -0.47 0.01 1.19 -2.12 0.00 0.00 175.29 174.51 3cxc n PHE 31 N -0.25 0.00 -4.16 0.91 3.01 -1.26 -4.91 117.46 110.80 3cxc n PHE 31 Ca -0.06 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.05 3cxc n PHE 31 Cb 0.63 -0.30 -0.11 0.00 -0.01 0.00 0.00 39.48 39.69 3cxc n PHE 31 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3cxc s ASP 32 N -3.84 5.29 0.30 4.37 1.01 -1.26 -1.71 116.67 120.83 3cxc s ASP 32 Ca -0.04 -0.01 0.02 0.00 0.71 0.00 0.00 52.55 53.24 3cxc s ASP 32 Cb 0.02 -1.89 -0.05 0.00 1.01 0.00 0.00 42.92 42.01 3cxc s ASP 32 CO 0.25 0.17 0.10 -0.04 0.21 0.00 0.00 175.17 175.86 3cxc s MET 33 N 0.38 1.56 3.77 8.23 -1.94 0.04 -4.98 119.30 126.36 3cxc s MET 33 Ca 0.00 -1.88 0.00 0.00 -1.71 0.00 0.00 55.69 52.11 3cxc s MET 33 Cb -0.13 -0.40 0.00 0.00 2.01 0.00 0.00 34.83 36.31 3cxc s MET 33 CO 0.01 -0.32 0.00 0.41 -0.01 0.00 0.00 175.02 175.11 3cxc n GLY 34 N -0.59 0.40 3.54 -0.03 0.00 -1.26 -1.86 105.19 105.39 3cxc n GLY 34 Ca -0.01 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 3cxc n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cxc s ASN 35 N -4.00 6.82 0.15 1.61 0.01 0.50 -4.75 114.94 115.27 3cxc s ASN 35 Ca 0.00 -2.36 0.24 0.00 -0.71 0.00 0.00 52.86 50.03 3cxc s ASN 35 Cb 0.00 -2.53 0.92 0.00 0.41 0.00 0.00 41.25 40.05 3cxc s ASN 35 CO 0.00 -1.13 1.73 -0.46 -1.51 0.00 0.00 177.10 175.73 3cxc n ASN 36 N 7.75 0.47 -0.15 -1.22 0.23 -1.26 -2.75 115.26 118.33 3cxc n ASN 36 Ca 0.42 0.57 -0.10 0.00 -0.53 0.00 0.00 54.58 54.94 3cxc n ASN 36 Cb 0.46 -0.69 -0.01 0.00 -2.08 0.00 0.00 39.78 37.47 3cxc n ASN 36 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3cxc h GLY 37 N 3.60 0.83 -1.70 4.83 0.00 -1.95 -3.43 103.07 105.24 3cxc h GLY 37 Ca 0.00 -0.62 -0.48 0.00 0.00 0.00 0.00 47.33 46.22 3cxc h GLY 37 CO 0.00 0.57 0.38 0.00 0.00 0.00 0.00 176.54 177.49 3cxc s ALA 38 N -4.96 2.93 0.26 3.60 0.00 -1.11 -5.08 121.76 117.40 3cxc s ALA 38 Ca -0.13 0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.14 3cxc s ALA 38 Cb 0.10 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 3cxc s ALA 38 CO 0.81 -0.52 0.32 0.20 0.00 0.00 0.00 175.76 176.57 3cxc s GLY 39 N -3.05 1.35 -0.51 0.00 0.00 -1.26 -4.96 107.32 98.88 3cxc s GLY 39 Ca 0.60 -1.34 -0.19 0.00 0.00 0.00 0.00 44.72 43.80 3cxc s GLY 39 CO 0.36 -1.35 1.59 -1.05 0.00 0.00 0.00 173.10 172.65 3cxc n PRO 40 N -1.36 0.04 -2.02 2.90 -0.02 -1.26 -4.55 135.00 128.73 3cxc n PRO 40 Ca -0.07 -0.99 -0.24 0.00 -2.02 0.00 0.00 63.50 60.17 3cxc n PRO 40 Cb 0.58 -2.67 0.02 0.00 -0.02 0.00 0.00 33.50 31.41 3cxc n PRO 40 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3cxc n THR 41 N 7.05 2.55 -4.03 3.45 -2.24 -1.26 -5.05 114.28 114.75 3cxc n THR 41 Ca 0.28 -4.22 -0.26 0.00 -2.27 0.00 0.00 64.05 57.58 3cxc n THR 41 Cb 0.45 -1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 67.48 3cxc n THR 41 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3cxc s TYR 42 N -3.60 3.27 -0.01 4.78 1.51 -1.26 -5.05 117.35 116.98 3cxc s TYR 42 Ca 0.51 0.04 -0.22 0.00 -1.01 0.00 0.00 57.07 56.39 3cxc s TYR 42 Cb 0.41 -1.57 -0.13 0.00 -0.11 0.00 0.00 41.96 40.56 3cxc s TYR 42 CO 0.03 0.52 0.94 -1.35 -1.11 0.00 0.00 175.55 174.58 3cxc h PRO 43 N 2.38 -0.66 -6.25 -1.71 0.11 -1.91 -3.46 132.00 120.51 3cxc h PRO 43 Ca -0.48 0.05 -0.57 0.00 0.11 0.00 0.00 66.00 65.11 3cxc h PRO 43 Cb 1.20 0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.42 3cxc h PRO 43 CO 0.65 -0.39 -0.19 0.00 -0.21 0.00 0.00 178.00 177.86 3cxc s ALA 44 N -4.50 3.67 -0.26 -0.75 0.00 -0.59 -4.47 121.76 114.86 3cxc s ALA 44 Ca -0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 3cxc s ALA 44 Cb 0.01 -2.33 0.12 0.00 0.00 0.00 0.00 23.12 20.92 3cxc s ALA 44 CO 0.38 0.55 0.26 -1.14 0.00 0.00 0.00 175.76 175.81 3cxc s GLN 45 N -2.31 0.27 0.14 0.00 0.74 -1.14 -2.11 119.66 115.26 3cxc s GLN 45 Ca 0.39 -0.07 0.03 0.00 0.05 0.00 0.00 55.36 55.76 3cxc s GLN 45 Cb -0.13 -0.86 -0.04 0.00 1.10 0.00 0.00 33.01 33.08 3cxc s GLN 45 CO 0.20 -0.91 0.26 0.08 -0.55 0.00 0.00 175.29 174.37 3cxc s VAL 46 N 2.33 5.22 0.03 1.34 1.01 -1.17 0.38 120.40 129.55 3cxc s VAL 46 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3cxc s VAL 46 Cb -0.15 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 3cxc s VAL 46 CO -0.27 -0.07 -0.04 -1.61 0.00 0.00 0.00 175.10 173.11 3cxc s GLU 47 N -3.14 0.44 -0.37 2.72 2.02 0.31 -1.51 118.70 119.17 3cxc s GLU 47 Ca 0.34 -0.77 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 3cxc s GLU 47 Cb -0.11 0.01 0.02 0.00 0.10 0.00 0.00 34.13 34.14 3cxc s GLU 47 CO 0.28 -0.03 0.21 -1.17 0.02 0.00 0.00 175.26 174.57 3cxc s LEU 48 N -1.78 4.65 -0.29 1.80 2.96 0.23 -1.23 118.68 125.02 3cxc s LEU 48 Ca -0.10 -0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 52.84 3cxc s LEU 48 Cb -0.07 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3cxc s LEU 48 CO -0.02 -0.35 0.14 -0.69 -1.32 0.00 0.00 176.35 174.10 3cxc s VAL 49 N 1.58 4.66 0.23 1.68 1.01 0.02 -0.58 120.40 129.00 3cxc s VAL 49 Ca 0.03 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 3cxc s VAL 49 Cb -0.19 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 3cxc s VAL 49 CO 0.07 0.17 1.35 -0.69 0.00 0.00 0.00 175.10 176.00 3cxc s VAL 50 N 1.64 2.99 -2.69 2.92 1.01 -0.41 -1.21 120.40 124.64 3cxc s VAL 50 Ca 0.06 0.84 0.24 0.00 0.00 0.00 0.00 61.98 63.11 3cxc s VAL 50 Cb -0.16 -3.53 0.35 0.00 0.00 0.00 0.00 36.38 33.03 3cxc s VAL 50 CO 0.06 0.14 1.43 -0.62 0.00 0.00 0.00 175.10 176.11 3cxc n GLU 51 N 2.33 2.16 -3.74 2.72 1.02 -1.03 0.18 120.64 124.29 3cxc n GLU 51 Ca 0.06 -1.70 -0.13 0.00 -0.02 0.00 0.00 57.16 55.36 3cxc n GLU 51 Cb 0.42 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 3cxc n GLU 51 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cxc s LYS 52 N -1.87 0.50 0.16 3.49 1.02 -1.26 -4.61 119.74 117.17 3cxc s LYS 52 Ca 0.33 0.45 -0.31 0.00 0.02 0.00 0.00 55.97 56.46 3cxc s LYS 52 Cb 0.21 0.24 -0.08 0.00 -0.52 0.00 0.00 37.83 37.67 3cxc s LYS 52 CO 0.31 -0.08 1.38 -2.14 -0.92 0.00 0.00 175.35 173.90 3cxc s PRO 53 N -0.01 4.33 0.34 -1.68 0.02 -1.26 -3.82 135.00 132.93 3cxc s PRO 53 Ca -0.02 2.10 -0.10 0.00 0.02 0.00 0.00 61.00 63.00 3cxc s PRO 53 Cb -0.03 -3.21 0.02 0.00 0.02 0.00 0.00 34.50 31.30 3cxc s PRO 53 CO 0.01 -0.38 0.60 0.14 -0.33 0.00 0.00 177.00 177.04 3cxc s VAL 54 N 0.69 0.00 -0.12 3.83 -7.23 -0.41 -4.80 120.40 112.36 3cxc s VAL 54 Ca 0.62 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3cxc s VAL 54 Cb -0.37 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 3cxc s VAL 54 CO 0.34 0.00 -0.13 -1.10 -0.31 0.00 0.00 175.10 173.90 3cxc s GLN 55 N -3.04 3.28 -0.25 4.82 -0.21 -1.01 -1.06 119.66 122.19 3cxc s GLN 55 Ca 0.23 -0.68 -0.00 0.00 0.02 0.00 0.00 55.36 54.93 3cxc s GLN 55 Cb -0.02 -2.61 0.04 0.00 1.00 0.00 0.00 33.01 31.41 3cxc s GLN 55 CO 0.14 0.28 -0.08 0.42 -2.12 0.00 0.00 175.29 173.93 3cxc s ILE 56 N 0.19 2.62 0.43 1.08 1.01 0.34 -4.49 121.20 122.38 3cxc s ILE 56 Ca -0.07 -1.25 -0.25 0.00 0.00 0.00 0.00 60.65 59.07 3cxc s ILE 56 Cb -0.15 -2.40 -0.08 0.00 0.01 0.00 0.00 42.46 39.84 3cxc s ILE 56 CO 0.05 0.11 1.33 -0.13 0.00 0.00 0.00 174.94 176.30 3cxc s ARG 57 N 1.25 3.81 0.20 2.79 0.52 -1.26 -0.35 118.95 125.90 3cxc s ARG 57 Ca -0.03 2.21 0.10 0.00 -0.52 0.00 0.00 55.73 57.49 3cxc s ARG 57 Cb -0.18 -2.67 0.56 0.00 0.52 0.00 0.00 34.95 33.19 3cxc s ARG 57 CO -0.05 -0.64 1.24 -2.39 0.02 0.00 0.00 175.30 173.48 3cxc n HIS 58 N -0.09 0.35 0.18 -0.53 1.44 -0.93 -0.21 115.22 115.43 3cxc n HIS 58 Ca 0.05 0.18 -0.12 0.00 -2.01 0.00 0.00 57.72 55.82 3cxc n HIS 58 Cb 0.43 -0.68 -0.07 0.00 0.12 0.00 0.00 29.99 29.79 3cxc n HIS 58 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 3cxc h ASN 59 N 0.00 -0.42 0.18 4.39 -0.26 -1.88 -2.29 115.58 115.29 3cxc h ASN 59 Ca 0.00 -0.14 -0.07 0.00 -0.56 0.00 0.00 56.30 55.53 3cxc h ASN 59 Cb 0.28 0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 3cxc h ASN 59 CO 0.00 -0.00 -0.26 0.00 -1.06 0.00 0.00 177.43 176.10 3cxc h ALA 60 N -0.61 1.40 -0.16 -0.83 0.00 -0.88 -0.18 119.26 118.00 3cxc h ALA 60 Ca -0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3cxc h ALA 60 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3cxc h ALA 60 CO 0.08 0.43 0.06 -0.07 0.00 0.00 0.00 179.25 179.75 3cxc h LEU 61 N 0.14 0.22 -0.16 0.00 -0.00 -1.27 0.26 115.31 114.49 3cxc h LEU 61 Ca 0.02 -0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 57.71 3cxc h LEU 61 Cb 0.55 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 3cxc h LEU 61 CO 0.04 0.32 0.01 -0.08 -0.00 0.00 0.00 178.44 178.73 3cxc h GLU 62 N 0.09 0.28 -0.65 1.13 4.57 -1.08 0.15 114.58 119.07 3cxc h GLU 62 Ca 0.05 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3cxc h GLU 62 Cb 0.18 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3cxc h GLU 62 CO -0.00 0.49 0.43 0.00 -1.18 0.00 0.00 179.01 178.75 3cxc h ALA 63 N 0.78 0.83 0.29 2.92 0.00 -0.95 0.17 119.26 123.31 3cxc h ALA 63 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3cxc h ALA 63 Cb 0.36 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3cxc h ALA 63 CO 0.01 0.24 -0.14 0.00 0.00 0.00 0.00 179.25 179.36 3cxc h ALA 64 N 1.24 -0.39 -0.23 0.00 0.00 -0.37 -2.07 119.26 117.43 3cxc h ALA 64 Ca 0.24 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3cxc h ALA 64 Cb -0.09 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3cxc h ALA 64 CO -0.06 -0.62 -0.03 -0.09 0.00 0.00 0.00 179.25 178.45 3cxc h ARG 65 N -0.60 0.03 0.65 0.00 2.43 -0.45 -2.46 114.38 113.98 3cxc h ARG 65 Ca -0.04 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3cxc h ARG 65 Cb 0.43 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3cxc h ARG 65 CO 0.07 0.02 -0.45 0.28 -1.51 0.00 0.00 179.97 178.38 3cxc h VAL 66 N 0.03 0.11 -1.31 0.20 2.07 -0.67 -0.92 116.25 115.76 3cxc h VAL 66 Ca 0.11 0.00 0.38 0.00 0.82 0.00 0.00 66.70 68.02 3cxc h VAL 66 Cb 0.16 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 29.95 3cxc h VAL 66 CO -0.22 0.00 0.90 0.00 0.02 0.00 0.00 177.57 178.27 3cxc h ALA 67 N -0.86 2.93 0.00 1.67 0.00 -1.22 0.67 119.26 122.46 3cxc h ALA 67 Ca -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3cxc h ALA 67 Cb 0.86 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3cxc h ALA 67 CO 0.05 -1.39 -0.13 0.00 0.00 0.00 0.00 179.25 177.78 3cxc h ALA 68 N 1.44 0.02 0.01 0.00 0.00 -0.93 -3.23 119.26 116.58 3cxc h ALA 68 Ca 0.69 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3cxc h ALA 68 Cb 2.40 0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.28 3cxc h ALA 68 CO -0.18 0.09 -0.00 -0.97 0.00 0.00 0.00 179.25 178.18 3cxc h ASN 69 N -1.00 -0.01 -0.66 0.00 -0.00 -0.52 0.07 115.58 113.46 3cxc h ASN 69 Ca -0.03 -0.34 0.19 0.00 -0.00 0.00 0.00 56.30 56.13 3cxc h ASN 69 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.95 3cxc h ASN 69 CO -0.02 0.33 0.64 -0.09 -0.00 0.00 0.00 177.43 178.29 3cxc h ARG 70 N -0.35 0.00 0.00 6.67 2.43 0.15 1.06 114.38 124.33 3cxc h ARG 70 Ca -0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 3cxc h ARG 70 Cb 0.35 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3cxc h ARG 70 CO 0.00 0.00 -1.33 0.98 -1.51 0.00 0.00 179.97 178.11 3cxc n TYR 71 N -3.76 1.00 0.79 2.20 9.36 -0.90 -3.78 117.16 122.07 3cxc n TYR 71 Ca 0.13 0.32 0.00 0.00 3.32 0.00 0.00 57.90 61.68 3cxc n TYR 71 Cb 0.88 -1.07 0.00 0.00 -0.63 0.00 0.00 39.34 38.52 3cxc n TYR 71 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 3cxc n VAL 72 N -2.85 0.00 -2.63 2.97 3.14 0.36 -3.04 118.33 116.28 3cxc n VAL 72 Ca -0.08 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.91 3cxc n VAL 72 Cb 0.78 -0.25 0.01 0.00 -1.06 0.00 0.00 33.84 33.33 3cxc n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3cxc n GLN 73 N -0.19 4.99 0.00 1.45 3.00 -1.20 -2.89 117.38 122.53 3cxc n GLN 73 Ca 0.00 -4.62 0.00 0.00 -0.01 0.00 0.00 57.00 52.37 3cxc n GLN 73 Cb 0.05 -2.43 0.00 0.00 0.00 0.00 0.00 30.24 27.87 3cxc n GLN 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3cxc n ASN 74 N -0.12 0.02 -0.00 1.08 5.15 -1.17 -4.41 115.26 115.81 3cxc n ASN 74 Ca 0.45 -0.32 0.03 0.00 -0.60 0.00 0.00 54.58 54.15 3cxc n ASN 74 Cb 0.28 0.55 -0.04 0.00 -0.53 0.00 0.00 39.78 40.04 3cxc n ASN 74 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3cxc n SER 75 N -0.55 0.71 0.00 1.20 7.64 -1.14 -5.12 113.62 116.35 3cxc n SER 75 Ca 0.00 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.31 3cxc n SER 75 Cb 0.00 1.04 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 3cxc n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cxc n GLY 76 N 1.28 0.61 0.30 0.23 0.00 -1.25 -3.92 105.19 102.43 3cxc n GLY 76 Ca 0.01 -1.50 0.25 0.00 0.00 0.00 0.00 46.02 44.78 3cxc n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxc n ALA 77 N 1.05 0.82 -1.60 4.61 0.00 -1.26 0.28 120.51 124.40 3cxc n ALA 77 Ca 0.00 0.95 -0.09 0.00 0.00 0.00 0.00 53.44 54.31 3cxc n ALA 77 Cb 0.00 -0.88 0.16 0.00 0.00 0.00 0.00 19.45 18.73 3cxc n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cxc n ALA 78 N -2.56 4.49 -0.43 0.00 0.00 -1.26 -4.97 120.51 115.78 3cxc n ALA 78 Ca 0.31 -3.35 -0.29 0.00 0.00 0.00 0.00 53.44 50.12 3cxc n ALA 78 Cb 1.06 -0.64 0.27 0.00 0.00 0.00 0.00 19.45 20.13 3cxc n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cxc n ALA 79 N -1.03 -3.53 -3.26 0.00 0.00 0.14 -4.95 120.51 107.89 3cxc n ALA 79 Ca 0.35 -1.37 -0.46 0.00 0.00 0.00 0.00 53.44 51.96 3cxc n ALA 79 Cb 0.93 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 3cxc n ALA 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3cxc s ASN 80 N -2.44 6.87 -0.14 0.00 3.04 -1.26 -4.44 114.94 116.56 3cxc s ASN 80 Ca 0.67 -2.80 -0.31 0.00 0.04 0.00 0.00 52.86 50.47 3cxc s ASN 80 Cb -0.22 -2.24 0.13 0.00 -1.54 0.00 0.00 41.25 37.37 3cxc s ASN 80 CO 0.64 -0.59 1.07 -0.72 -3.04 0.00 0.00 177.10 174.47 3cxc s TYR 81 N 0.27 -0.25 -0.04 0.43 -0.85 -1.26 -4.60 117.35 111.04 3cxc s TYR 81 Ca 0.23 0.30 0.01 0.00 -0.52 0.00 0.00 57.07 57.09 3cxc s TYR 81 Cb -0.09 0.50 0.02 0.00 0.38 0.00 0.00 41.96 42.76 3cxc s TYR 81 CO -0.09 -0.32 -0.06 -1.59 -1.52 0.00 0.00 175.55 171.97 3cxc s LYS 82 N -1.99 0.98 -0.09 -3.49 -2.85 -0.96 -0.37 119.74 110.98 3cxc s LYS 82 Ca 0.04 -0.18 0.00 0.00 -1.00 0.00 0.00 55.97 54.83 3cxc s LYS 82 Cb -0.01 -0.92 -0.03 0.00 -2.06 0.00 0.00 37.83 34.81 3cxc s LYS 82 CO -0.04 -0.03 -0.08 0.12 0.10 0.00 0.00 175.35 175.42 3cxc s PHE 83 N 0.74 2.92 -0.05 1.78 5.36 -0.78 -0.63 117.98 127.32 3cxc s PHE 83 Ca -0.11 -0.13 -0.01 0.00 -0.96 0.00 0.00 56.93 55.72 3cxc s PHE 83 Cb -0.14 -1.77 0.03 0.00 -0.34 0.00 0.00 43.02 40.80 3cxc s PHE 83 CO 0.01 0.19 0.03 1.03 -1.46 0.00 0.00 175.22 175.02 3cxc s ARG 84 N -0.44 0.24 -0.51 10.12 0.52 1.00 -0.78 118.95 129.10 3cxc s ARG 84 Ca 0.06 0.23 -0.16 0.00 -0.52 0.00 0.00 55.73 55.34 3cxc s ARG 84 Cb -0.12 -0.68 0.09 0.00 0.52 0.00 0.00 34.95 34.77 3cxc s ARG 84 CO 0.02 -0.29 0.49 -1.50 0.02 0.00 0.00 175.30 174.04 3cxc s ILE 85 N 1.89 5.14 -0.62 1.52 2.07 -0.69 -0.87 121.20 129.64 3cxc s ILE 85 Ca 0.02 -1.12 0.25 0.00 -1.41 0.00 0.00 60.65 58.39 3cxc s ILE 85 Cb -0.12 -4.25 0.26 0.00 0.13 0.00 0.00 42.46 38.48 3cxc s ILE 85 CO -0.04 -0.75 1.74 -2.11 -1.91 0.00 0.00 174.94 171.88 3cxc n ARG 86 N 5.45 0.22 -3.73 3.50 1.85 -0.96 -4.84 116.66 118.14 3cxc n ARG 86 Ca -0.12 0.31 -0.34 0.00 -1.00 0.00 0.00 57.85 56.70 3cxc n ARG 86 Cb 0.43 -1.82 -0.05 0.00 -1.05 0.00 0.00 32.46 29.96 3cxc n ARG 86 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3cxc s LYS 87 N -3.20 3.61 -0.00 2.89 -0.14 -1.26 -5.10 119.74 116.53 3cxc s LYS 87 Ca 0.08 -0.05 0.07 0.00 -1.36 0.00 0.00 55.97 54.70 3cxc s LYS 87 Cb 0.11 -3.04 -0.02 0.00 -1.68 0.00 0.00 37.83 33.20 3cxc s LYS 87 CO 0.49 0.62 -0.22 -0.06 -0.76 0.00 0.00 175.35 175.41 3cxc s PHE 88 N -1.36 1.98 -1.18 3.18 0.40 -1.26 -5.06 117.98 114.69 3cxc s PHE 88 Ca 0.30 -0.38 -0.21 0.00 -0.60 0.00 0.00 56.93 56.04 3cxc s PHE 88 Cb -0.13 -1.25 -0.01 0.00 0.51 0.00 0.00 43.02 42.14 3cxc s PHE 88 CO 0.18 0.00 1.80 -1.25 0.70 0.00 0.00 175.22 176.65 3cxc s PRO 89 N -0.69 3.20 -0.03 0.24 0.04 -1.26 -4.50 135.00 131.99 3cxc s PRO 89 Ca 0.09 -1.37 0.04 0.00 0.04 0.00 0.00 61.00 59.80 3cxc s PRO 89 Cb -0.09 -5.35 -0.25 0.00 0.04 0.00 0.00 34.50 28.86 3cxc s PRO 89 CO -0.00 -3.05 0.72 0.74 0.04 0.00 0.00 177.00 175.45 3cxc h PHE 90 N 9.11 0.21 -2.70 0.56 0.05 -1.89 -3.39 116.94 118.88 3cxc h PHE 90 Ca 0.29 -0.15 -0.58 0.00 3.82 0.00 0.00 57.97 61.35 3cxc h PHE 90 Cb 0.93 -0.01 -0.03 0.00 2.00 0.00 0.00 35.95 38.84 3cxc h PHE 90 CO 1.30 1.25 1.26 -1.58 -0.18 0.00 0.00 178.31 180.36 3cxc s HIS 91 N -2.61 1.84 0.13 -0.55 2.46 -0.77 -4.55 115.29 111.25 3cxc s HIS 91 Ca -0.09 0.61 -0.30 0.00 0.47 0.00 0.00 55.06 55.75 3cxc s HIS 91 Cb 0.08 -4.13 -0.07 0.00 -0.13 0.00 0.00 32.58 28.33 3cxc s HIS 91 CO 0.82 -2.95 1.11 0.08 -2.47 0.00 0.00 174.74 171.33 3cxc s VAL 92 N 6.69 3.99 -0.04 0.89 1.01 0.01 -1.32 120.40 131.63 3cxc s VAL 92 Ca 0.79 1.62 0.07 0.00 0.00 0.00 0.00 61.98 64.46 3cxc s VAL 92 Cb -0.23 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3cxc s VAL 92 CO 0.34 0.23 -0.25 0.27 0.00 0.00 0.00 175.10 175.69 3cxc s ILE 93 N 0.17 2.11 0.51 2.22 -4.36 0.34 -4.76 121.20 117.43 3cxc s ILE 93 Ca 0.52 -1.07 0.07 0.00 -0.26 0.00 0.00 60.65 59.91 3cxc s ILE 93 Cb -0.29 -1.75 0.03 0.00 1.25 0.00 0.00 42.46 41.70 3cxc s ILE 93 CO 0.33 0.58 0.44 0.00 0.24 0.00 0.00 174.94 176.52 3cxc s ARG 94 N -0.38 2.33 -0.16 0.37 1.70 -1.26 -1.27 118.95 120.28 3cxc s ARG 94 Ca 0.03 -1.83 -0.13 0.00 -0.47 0.00 0.00 55.73 53.32 3cxc s ARG 94 Cb -0.12 -2.24 0.05 0.00 -0.57 0.00 0.00 34.95 32.07 3cxc s ARG 94 CO 0.02 -0.52 0.42 -2.00 -1.08 0.00 0.00 175.30 172.13 3cxc s GLU 95 N -4.28 0.46 -1.20 3.89 2.12 -1.02 -4.83 118.70 113.85 3cxc s GLU 95 Ca 0.42 0.63 -0.12 0.00 0.36 0.00 0.00 54.97 56.26 3cxc s GLU 95 Cb -0.03 0.17 0.19 0.00 0.26 0.00 0.00 34.13 34.73 3cxc s GLU 95 CO 0.25 -0.08 1.40 -1.71 -0.54 0.00 0.00 175.26 174.58 3cxc n ASN 96 N 3.21 5.30 -4.10 -1.70 5.15 -1.26 -1.46 115.26 120.39 3cxc n ASN 96 Ca -0.16 -3.00 -0.39 0.00 -0.60 0.00 0.00 54.58 50.43 3cxc n ASN 96 Cb 0.57 -1.52 -0.04 0.00 -0.53 0.00 0.00 39.78 38.26 3cxc n ASN 96 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 3cxc n LYS 97 N 4.88 3.18 -0.02 1.20 2.85 -1.26 -5.04 118.16 123.95 3cxc n LYS 97 Ca 0.34 -4.50 0.00 0.00 -1.05 0.00 0.00 58.31 53.10 3cxc n LYS 97 Cb 0.41 -2.45 0.00 0.00 -0.65 0.00 0.00 35.03 32.34 3cxc n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3cxc n ASP 109 N 2.12 -1.56 0.00 -5.58 -0.08 -1.26 -4.96 116.55 105.23 3cxc n ASP 109 Ca 0.24 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 3cxc n ASP 109 Cb 0.37 0.69 0.00 0.00 2.34 0.00 0.00 41.12 44.53 3cxc n ASP 109 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3cxc n GLY 110 N 0.29 0.07 0.95 0.27 0.00 -1.26 -4.90 105.19 100.61 3cxc n GLY 110 Ca 0.00 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.23 3cxc n GLY 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cxc n MET 111 N 0.00 2.81 -2.85 1.61 2.81 -1.26 -4.77 117.12 115.48 3cxc n MET 111 Ca 0.00 -2.31 -0.40 0.00 -1.81 0.00 0.00 57.70 53.18 3cxc n MET 111 Cb 0.00 -1.40 -0.06 0.00 -0.71 0.00 0.00 33.22 31.06 3cxc n MET 111 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3cxc s ARG 112 N -1.00 4.69 -1.03 0.03 3.52 -1.26 -3.91 118.95 119.98 3cxc s ARG 112 Ca 0.34 1.32 -0.26 0.00 -0.13 0.00 0.00 55.73 57.01 3cxc s ARG 112 Cb 0.18 -3.31 0.04 0.00 -1.56 0.00 0.00 34.95 30.30 3cxc s ARG 112 CO 0.23 0.44 0.49 0.00 -0.81 0.00 0.00 175.30 175.65 3cxc n ALA 113 N 1.99 -2.27 1.54 6.12 0.00 -1.26 -4.84 120.51 121.79 3cxc n ALA 113 Ca -0.02 -0.48 0.10 0.00 0.00 0.00 0.00 53.44 53.04 3cxc n ALA 113 Cb 0.48 -1.93 0.46 0.00 0.00 0.00 0.00 19.45 18.47 3cxc n ALA 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3cxc n PRO 114 N -4.31 1.44 -1.67 0.00 -0.04 -1.25 -4.90 135.00 124.26 3cxc n PRO 114 Ca -0.11 -0.66 -0.45 0.00 -0.04 0.00 0.00 63.50 62.25 3cxc n PRO 114 Cb 0.47 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 3cxc n PRO 114 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3cxc n PHE 115 N -0.13 2.46 -0.61 0.54 7.35 -1.26 -4.61 117.46 121.20 3cxc n PHE 115 Ca 0.16 -0.19 -0.15 0.00 -0.76 0.00 0.00 57.45 56.50 3cxc n PHE 115 Cb 0.23 -2.74 0.13 0.00 0.35 0.00 0.00 39.48 37.45 3cxc n PHE 115 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3cxc n GLY 116 N 4.42 -2.93 3.39 7.13 0.00 -1.26 -4.90 105.19 111.03 3cxc n GLY 116 Ca 0.21 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 3cxc n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cxc s LYS 117 N -4.20 2.15 -0.09 1.61 -2.85 -0.53 -4.75 119.74 111.08 3cxc s LYS 117 Ca 0.35 -0.91 -0.37 0.00 -1.00 0.00 0.00 55.97 54.04 3cxc s LYS 117 Cb -0.04 -2.14 -0.15 0.00 -2.06 0.00 0.00 37.83 33.44 3cxc s LYS 117 CO 0.28 0.56 1.66 -2.30 0.10 0.00 0.00 175.35 175.65 3cxc n PRO 118 N 2.12 1.53 -0.01 1.78 -0.02 -1.26 -2.43 135.00 136.72 3cxc n PRO 118 Ca -0.16 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3cxc n PRO 118 Cb 0.52 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 3cxc n PRO 118 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3cxc n VAL 119 N 4.07 0.07 -3.07 -1.45 0.24 -0.40 -4.83 118.33 112.97 3cxc n VAL 119 Ca 0.22 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 3cxc n VAL 119 Cb 0.20 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 3cxc n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cxc n GLY 120 N 2.57 1.01 3.15 7.63 0.00 -1.00 -4.80 105.19 113.75 3cxc n GLY 120 Ca -0.02 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 3cxc n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cxc s THR 121 N -2.18 0.15 0.13 2.61 -4.23 -1.26 -0.50 115.64 110.37 3cxc s THR 121 Ca 0.00 -1.72 -0.16 0.00 -1.18 0.00 0.00 61.69 58.62 3cxc s THR 121 Cb 0.00 -1.71 0.03 0.00 1.34 0.00 0.00 72.50 72.16 3cxc s THR 121 CO 0.00 -0.70 0.41 0.00 -0.54 0.00 0.00 174.62 173.79 3cxc s ALA 122 N -3.96 -0.92 -0.15 3.99 0.00 -0.44 -2.20 121.76 118.09 3cxc s ALA 122 Ca 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 3cxc s ALA 122 Cb 0.07 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 3cxc s ALA 122 CO -0.05 -0.66 -0.02 0.00 0.00 0.00 0.00 175.76 175.03 3cxc s ALA 123 N -3.82 3.10 -0.28 0.00 0.00 0.53 -1.85 121.76 119.44 3cxc s ALA 123 Ca 0.04 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 50.96 3cxc s ALA 123 Cb 0.02 -1.59 -0.00 0.00 0.00 0.00 0.00 23.12 21.54 3cxc s ALA 123 CO -0.11 0.27 0.76 1.03 0.00 0.00 0.00 175.76 177.72 3cxc s ARG 124 N 0.16 4.03 -0.09 0.00 0.52 -1.26 -0.51 118.95 121.80 3cxc s ARG 124 Ca -0.00 0.64 0.03 0.00 -0.52 0.00 0.00 55.73 55.89 3cxc s ARG 124 Cb -0.13 -3.70 -0.01 0.00 0.52 0.00 0.00 34.95 31.63 3cxc s ARG 124 CO 0.02 -0.60 -0.20 0.08 0.02 0.00 0.00 175.30 174.63 3cxc s VAL 125 N 2.84 2.50 0.12 3.52 1.01 -0.22 -4.99 120.40 125.18 3cxc s VAL 125 Ca 0.32 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3cxc s VAL 125 Cb -0.15 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.19 3cxc s VAL 125 CO 0.11 0.56 0.52 -1.00 0.00 0.00 0.00 175.10 175.29 3cxc s HIS 126 N 0.01 3.64 0.19 5.22 3.76 -1.26 -1.29 115.29 125.56 3cxc s HIS 126 Ca -0.07 1.05 -0.32 0.00 -0.15 0.00 0.00 55.06 55.57 3cxc s HIS 126 Cb -0.15 -2.36 -0.15 0.00 1.11 0.00 0.00 32.58 31.03 3cxc s HIS 126 CO 0.05 0.48 1.14 0.41 -0.85 0.00 0.00 174.74 175.96 3cxc n GLY 127 N 1.01 -0.01 1.50 -2.22 0.00 -1.25 -1.55 105.19 102.67 3cxc n GLY 127 Ca -0.07 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3cxc n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxc n ALA 128 N 1.32 0.00 -2.01 4.61 0.00 0.48 -4.86 120.51 120.05 3cxc n ALA 128 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 3cxc n ALA 128 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3cxc n ALA 128 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3cxc s ASN 129 N -3.00 6.27 -0.17 0.00 0.02 -0.60 -4.80 114.94 112.67 3cxc s ASN 129 Ca 0.00 1.26 -0.07 0.00 -1.02 0.00 0.00 52.86 53.03 3cxc s ASN 129 Cb 0.00 -2.40 -0.04 0.00 0.02 0.00 0.00 41.25 38.83 3cxc s ASN 129 CO 0.00 -0.75 0.07 -1.38 0.02 0.00 0.00 177.10 175.07 3cxc s HIS 130 N -2.98 3.30 -0.09 2.20 -3.43 -1.26 -1.29 115.29 111.74 3cxc s HIS 130 Ca 0.53 0.16 0.14 0.00 -0.80 0.00 0.00 55.06 55.09 3cxc s HIS 130 Cb -0.11 -2.05 -0.23 0.00 -1.43 0.00 0.00 32.58 28.76 3cxc s HIS 130 CO 0.49 0.26 0.50 1.51 -2.00 0.00 0.00 174.74 175.50 3cxc n ILE 131 N 3.24 1.53 -4.33 -5.38 3.06 0.25 -4.78 119.36 112.96 3cxc n ILE 131 Ca -0.17 -0.81 -0.21 0.00 -2.50 0.00 0.00 62.75 59.06 3cxc n ILE 131 Cb 0.53 -0.87 -0.13 0.00 0.54 0.00 0.00 39.64 39.71 3cxc n ILE 131 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 3cxc s PHE 132 N -2.58 1.41 -0.11 9.51 0.40 -1.20 -2.27 117.98 123.14 3cxc s PHE 132 Ca -0.06 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 55.83 3cxc s PHE 132 Cb 0.07 -0.81 0.06 0.00 0.51 0.00 0.00 43.02 42.85 3cxc s PHE 132 CO 0.83 0.08 0.21 0.42 0.70 0.00 0.00 175.22 177.46 3cxc s ILE 133 N -1.03 -0.33 0.30 0.64 -1.09 -0.05 -0.60 121.20 119.04 3cxc s ILE 133 Ca 0.02 0.31 0.09 0.00 -2.23 0.00 0.00 60.65 58.84 3cxc s ILE 133 Cb -0.09 -0.37 -0.04 0.00 -1.58 0.00 0.00 42.46 40.38 3cxc s ILE 133 CO 0.02 0.13 0.09 0.00 -1.23 0.00 0.00 174.94 173.96 3cxc s ALA 134 N 2.32 3.38 -0.07 9.38 0.00 -0.57 -0.00 121.76 136.20 3cxc s ALA 134 Ca 0.02 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.27 3cxc s ALA 134 Cb -0.12 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.19 3cxc s ALA 134 CO -0.07 0.16 0.01 -1.58 0.00 0.00 0.00 175.76 174.28 3cxc s TRP 135 N -2.34 0.64 0.10 0.00 0.51 0.19 -3.01 118.94 115.03 3cxc s TRP 135 Ca 0.34 -0.16 -0.03 0.00 -2.12 0.00 0.00 56.10 54.13 3cxc s TRP 135 Cb -0.05 -0.79 -0.03 0.00 -0.81 0.00 0.00 33.47 31.79 3cxc s TRP 135 CO 0.22 -0.33 0.08 0.54 -0.51 0.00 0.00 176.95 176.95 3cxc s VAL 136 N 1.98 0.14 0.10 4.03 0.11 -0.89 -2.26 120.40 123.61 3cxc s VAL 136 Ca 0.05 -1.72 -0.03 0.00 -2.93 0.00 0.00 61.98 57.34 3cxc s VAL 136 Cb -0.12 -1.77 -0.05 0.00 -1.53 0.00 0.00 36.38 32.91 3cxc s VAL 136 CO -0.05 -0.63 0.30 0.20 -3.33 0.00 0.00 175.10 171.59 3cxc s ASN 137 N -2.98 6.44 -0.17 3.54 0.01 -1.26 -1.55 114.94 118.98 3cxc s ASN 137 Ca 0.16 0.47 -0.02 0.00 -0.71 0.00 0.00 52.86 52.76 3cxc s ASN 137 Cb 0.07 -2.04 -0.06 0.00 0.41 0.00 0.00 41.25 39.63 3cxc s ASN 137 CO -0.04 0.12 0.78 -2.65 -1.51 0.00 0.00 177.10 173.81 3cxc n PRO 138 N 0.28 0.00 -2.68 -0.60 -0.02 -1.26 -4.31 135.00 126.42 3cxc n PRO 138 Ca -0.04 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.39 3cxc n PRO 138 Cb 0.52 -0.59 0.06 0.00 -0.02 0.00 0.00 33.50 33.47 3cxc n PRO 138 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3cxc n ASP 139 N 2.82 -1.47 -4.57 2.55 2.03 -1.26 -5.10 116.55 111.54 3cxc n ASP 139 Ca 0.12 -2.15 -0.31 0.00 0.52 0.00 0.00 54.79 52.97 3cxc n ASP 139 Cb 0.23 1.18 -0.05 0.00 -0.72 0.00 0.00 41.12 41.77 3cxc n ASP 139 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3cxc s PRO 140 N 0.10 2.82 -0.01 -0.67 0.02 -1.26 -4.31 135.00 131.69 3cxc s PRO 140 Ca 0.14 -0.91 0.22 0.00 0.02 0.00 0.00 61.00 60.47 3cxc s PRO 140 Cb 0.23 -5.22 -0.28 0.00 0.02 0.00 0.00 34.50 29.24 3cxc s PRO 140 CO -0.09 -3.34 0.64 0.09 -0.33 0.00 0.00 177.00 173.97 3cxc n ASN 141 N 12.88 0.34 -0.29 2.53 3.02 -1.26 -3.88 115.26 128.61 3cxc n ASN 141 Ca 0.42 -0.31 -0.02 0.00 -0.03 0.00 0.00 54.58 54.64 3cxc n ASN 141 Cb 0.47 1.62 0.15 0.00 -0.61 0.00 0.00 39.78 41.41 3cxc n ASN 141 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3cxc h VAL 142 N 0.00 1.24 -0.79 2.41 3.04 -1.98 0.18 116.25 120.35 3cxc h VAL 142 Ca 0.00 -0.55 0.11 0.00 -1.01 0.00 0.00 66.70 65.25 3cxc h VAL 142 Cb 0.84 0.07 -0.06 0.00 -2.01 0.00 0.00 31.29 30.13 3cxc h VAL 142 CO 0.00 0.26 0.52 -0.33 -1.01 0.00 0.00 177.57 177.01 3cxc h GLU 143 N 1.17 0.67 0.02 4.17 5.08 -1.93 0.25 114.58 124.01 3cxc h GLU 143 Ca 0.30 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.40 3cxc h GLU 143 Cb -0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3cxc h GLU 143 CO -0.05 0.44 -1.05 1.49 -1.00 0.00 0.00 179.01 178.84 3cxc h GLU 144 N 0.69 0.04 0.00 2.33 4.57 -1.35 -3.02 114.58 117.84 3cxc h GLU 144 Ca 0.37 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 3cxc h GLU 144 Cb 0.51 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3cxc h GLU 144 CO -0.14 1.03 0.00 0.00 -1.18 0.00 0.00 179.01 178.72 3cxc h ALA 145 N 0.93 1.00 0.00 2.92 0.00 0.23 -2.34 119.26 122.01 3cxc h ALA 145 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 3cxc h ALA 145 Cb 1.80 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 3cxc h ALA 145 CO 0.14 0.00 -2.18 0.91 0.00 0.00 0.00 179.25 178.12 3cxc n TRP 146 N -2.68 0.00 0.24 0.00 8.01 -0.60 -3.26 117.44 119.15 3cxc n TRP 146 Ca -0.01 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.25 3cxc n TRP 146 Cb 0.10 -0.75 0.59 0.00 -2.01 0.00 0.00 31.31 29.24 3cxc n TRP 146 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.69 176.59 3cxc h ARG 147 N 0.00 0.00 0.00 -0.99 2.43 -1.30 0.88 114.38 115.41 3cxc h ARG 147 Ca -0.29 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3cxc h ARG 147 Cb 1.66 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.21 3cxc h ARG 147 CO 0.02 0.14 -0.51 0.00 -1.51 0.00 0.00 179.97 178.11 3cxc h ARG 148 N 0.00 0.00 0.00 0.20 3.08 -1.66 -3.33 114.38 112.68 3cxc h ARG 148 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3cxc h ARG 148 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3cxc h ARG 148 CO 0.02 0.01 -0.00 0.00 -1.07 0.00 0.00 179.97 178.93 3cxc h ALA 149 N 1.99 -0.00 0.00 0.04 0.00 -0.86 -3.26 119.26 117.16 3cxc h ALA 149 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3cxc h ALA 149 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3cxc h ALA 149 CO 0.00 -0.01 0.00 0.36 0.00 0.00 0.00 179.25 179.61 3cxc n LYS 150 N -4.63 0.64 0.12 0.00 0.00 -0.42 -1.57 118.16 112.29 3cxc n LYS 150 Ca -0.09 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.30 3cxc n LYS 150 Cb 0.43 -1.17 0.02 0.00 -0.00 0.00 0.00 35.03 34.31 3cxc n LYS 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 3cxc h MET 151 N 0.00 0.00 -0.09 -1.58 4.05 -1.67 -3.34 114.93 112.30 3cxc h MET 151 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3cxc h MET 151 Cb 0.00 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 3cxc h MET 151 CO 0.00 0.12 -0.03 1.63 0.23 0.00 0.00 176.91 178.85 3cxc n LYS 152 N -2.88 1.80 -4.43 0.39 5.02 -0.61 -4.99 118.16 112.46 3cxc n LYS 152 Ca -0.01 -2.73 -0.22 0.00 -2.02 0.00 0.00 58.31 53.34 3cxc n LYS 152 Cb 0.62 -1.62 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 3cxc n LYS 152 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3cxc s VAL 153 N -2.90 1.32 0.23 -0.18 -7.23 -1.25 -4.58 120.40 105.81 3cxc s VAL 153 Ca 0.36 -1.11 -0.07 0.00 -1.81 0.00 0.00 61.98 59.35 3cxc s VAL 153 Cb 0.31 -1.18 0.21 0.00 0.56 0.00 0.00 36.38 36.28 3cxc s VAL 153 CO 0.04 0.05 1.68 0.74 -0.31 0.00 0.00 175.10 177.30 3cxc h THR 154 N 4.42 0.52 -4.38 5.32 2.02 -1.92 -3.45 112.91 115.45 3cxc h THR 154 Ca -0.40 -0.08 -0.48 0.00 0.77 0.00 0.00 66.41 66.23 3cxc h THR 154 Cb 1.17 0.28 0.11 0.00 -1.74 0.00 0.00 68.15 67.97 3cxc h THR 154 CO 0.43 0.04 0.36 -2.16 0.37 0.00 0.00 175.52 174.56 3cxc s PRO 155 N -6.08 1.92 0.33 6.66 0.04 -1.26 -5.04 135.00 131.57 3cxc s PRO 155 Ca -0.13 0.39 -0.16 0.00 0.04 0.00 0.00 61.00 61.14 3cxc s PRO 155 Cb 0.20 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.73 3cxc s PRO 155 CO 0.75 -1.68 0.77 0.99 0.04 0.00 0.00 177.00 177.87 3cxc s THR 156 N -3.32 4.62 0.17 1.26 2.01 -1.26 -4.94 115.64 114.17 3cxc s THR 156 Ca 0.61 1.08 0.03 0.00 0.31 0.00 0.00 61.69 63.72 3cxc s THR 156 Cb -0.13 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 3cxc s THR 156 CO 0.52 -0.16 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.62 3cxc s ILE 157 N -1.97 0.87 -0.17 1.82 1.01 -1.26 -2.45 121.20 119.05 3cxc s ILE 157 Ca 0.54 -2.00 0.01 0.00 0.00 0.00 0.00 60.65 59.20 3cxc s ILE 157 Cb -0.11 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.35 3cxc s ILE 157 CO 0.17 -0.57 -0.20 0.21 0.00 0.00 0.00 174.94 174.55 3cxc s ASN 158 N -3.18 3.12 -0.65 3.58 3.84 -0.35 -4.96 114.94 116.34 3cxc s ASN 158 Ca 0.21 -0.64 -0.20 0.00 0.21 0.00 0.00 52.86 52.44 3cxc s ASN 158 Cb 0.05 -1.47 0.10 0.00 -0.55 0.00 0.00 41.25 39.38 3cxc s ASN 158 CO 0.03 0.01 0.83 -0.63 -2.79 0.00 0.00 177.10 174.55 3cxc s ILE 159 N 1.22 4.66 -0.21 -5.21 1.01 -1.26 -0.80 121.20 120.61 3cxc s ILE 159 Ca 0.03 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 3cxc s ILE 159 Cb -0.13 -4.58 -0.05 0.00 0.01 0.00 0.00 42.46 37.70 3cxc s ILE 159 CO -0.11 -1.27 0.13 -0.62 0.00 0.00 0.00 174.94 173.06 3cxc s ASP 160 N 3.61 6.07 -0.17 3.58 -1.08 -0.37 -4.93 116.67 123.39 3cxc s ASP 160 Ca 0.17 0.16 -0.09 0.00 -0.52 0.00 0.00 52.55 52.27 3cxc s ASP 160 Cb -0.20 -2.07 -0.05 0.00 -1.46 0.00 0.00 42.92 39.14 3cxc s ASP 160 CO 0.06 0.13 0.14 -0.55 0.52 0.00 0.00 175.17 175.47 3cxc s SER 161 N 0.64 6.28 0.00 -0.34 0.15 -1.26 0.12 113.70 119.29 3cxc s SER 161 Ca 0.07 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.05 3cxc s SER 161 Cb -0.12 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 3cxc s SER 161 CO 0.01 0.27 0.00 -1.20 1.20 0.00 0.00 173.24 173.51 3cxc n SER 162 N 2.93 0.00 -4.56 5.45 7.64 0.16 -4.86 113.62 120.37 3cxc n SER 162 Ca -0.17 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.31 3cxc n SER 162 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 3cxc n SER 162 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3cxc s PRO 163 N 0.68 2.69 0.00 1.43 0.02 -1.25 -4.73 135.00 133.84 3cxc s PRO 163 Ca 0.00 1.02 0.00 0.00 0.02 0.00 0.00 61.00 62.04 3cxc s PRO 163 Cb 0.00 -4.39 0.00 0.00 0.02 0.00 0.00 34.50 30.13 3cxc s PRO 163 CO 0.00 -2.63 0.00 0.00 -0.33 0.00 0.00 177.00 174.04 3cxc n ALA 164 N 12.85 0.00 -1.30 -1.55 0.00 -1.26 -2.87 120.51 126.37 3cxc n ALA 164 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.44 3cxc n ALA 164 Cb 0.51 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.12 3cxc n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxc n GLY 165 N 0.00 4.93 2.75 0.00 0.00 -1.26 -4.54 105.19 107.06 3cxc n GLY 165 Ca 0.00 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 3cxc n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cxc n ASN 166 N -1.08 6.92 -0.27 1.61 5.03 -1.26 -5.27 115.26 120.93 3cxc n ASN 166 Ca 0.57 -3.81 0.15 0.00 0.87 0.00 0.00 54.58 52.36 3cxc n ASN 166 Cb 1.34 -0.92 0.71 0.00 -1.02 0.00 0.00 39.78 39.89 3cxc n ASN 166 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43