#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ysi n SER 2 N 0.00 1.63 -3.93 7.83 2.88 -1.26 -5.01 113.62 115.76 1ysi n SER 2 Ca 0.00 -0.01 -0.30 0.00 -1.33 0.00 0.00 58.87 57.23 1ysi n SER 2 Cb 0.00 0.68 -0.02 0.00 -0.75 0.00 0.00 64.21 64.12 1ysi n SER 2 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1ysi n MET 3 N -2.61 -0.64 -0.97 -1.46 -0.00 -1.26 -4.89 117.12 105.29 1ysi n MET 3 Ca -0.25 -0.03 -0.30 0.00 -0.00 0.00 0.00 57.70 57.12 1ysi n MET 3 Cb 0.95 -1.98 0.24 0.00 -0.00 0.00 0.00 33.22 32.43 1ysi n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ysi s ALA 4 N -3.96 0.40 -1.28 3.17 0.00 -1.26 -3.57 121.76 115.26 1ysi s ALA 4 Ca 0.21 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1ysi s ALA 4 Cb -0.12 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1ysi s ALA 4 CO 0.72 -3.66 0.00 -1.33 0.00 0.00 0.00 175.76 171.50 1ysi n MET 5 N -4.82 -2.04 0.07 0.00 0.00 -1.26 -4.82 117.12 104.24 1ysi n MET 5 Ca 0.12 0.73 -0.12 0.00 0.00 0.00 0.00 57.70 58.42 1ysi n MET 5 Cb 0.59 -5.34 -0.13 0.00 0.00 0.00 0.00 33.22 28.34 1ysi n MET 5 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1ysi h SER 6 N 0.00 0.22 0.00 7.83 0.87 -1.94 -3.42 113.55 117.11 1ysi h SER 6 Ca -0.35 -0.26 -0.11 0.00 -1.23 0.00 0.00 61.79 59.83 1ysi h SER 6 Cb 1.25 -0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 63.04 1ysi h SER 6 CO 0.42 1.21 -0.21 1.67 -0.53 0.00 0.00 176.83 179.39 1ysi n GLN 7 N -3.41 0.42 -1.24 2.24 7.27 -1.26 -4.96 117.38 116.44 1ysi n GLN 7 Ca -0.08 -0.82 -0.26 0.00 0.07 0.00 0.00 57.00 55.91 1ysi n GLN 7 Cb 1.00 0.43 0.16 0.00 2.41 0.00 0.00 30.24 34.24 1ysi n GLN 7 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1ysi n SER 8 N -0.47 4.43 0.02 1.69 7.64 -1.26 -4.35 113.62 121.31 1ysi n SER 8 Ca -0.18 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.05 1ysi n SER 8 Cb 0.67 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1ysi n SER 8 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ysi n ASN 9 N -1.11 0.29 -0.17 6.43 3.02 -1.26 -4.25 115.26 118.21 1ysi n ASN 9 Ca 0.60 0.05 -0.05 0.00 -0.03 0.00 0.00 54.58 55.15 1ysi n ASN 9 Cb 1.48 -0.07 0.04 0.00 -0.61 0.00 0.00 39.78 40.62 1ysi n ASN 9 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1ysi h ARG 10 N 0.00 0.57 -0.44 3.52 1.12 -1.81 -0.81 114.38 116.53 1ysi h ARG 10 Ca 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1ysi h ARG 10 Cb 0.63 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1ysi h ARG 10 CO 0.00 0.37 0.00 -1.91 -3.11 0.00 0.00 179.97 175.32 1ysi n GLU 11 N -4.82 2.03 0.07 0.20 2.13 -1.26 -3.95 120.64 115.04 1ysi n GLU 11 Ca 0.04 -1.44 -0.23 0.00 0.66 0.00 0.00 57.16 56.19 1ysi n GLU 11 Cb 0.09 -1.37 -0.15 0.00 0.27 0.00 0.00 31.44 30.28 1ysi n GLU 11 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ysi h LEU 12 N 2.28 0.59 -0.48 4.31 6.46 -1.32 -2.40 115.31 124.74 1ysi h LEU 12 Ca 0.00 -0.92 -0.16 0.00 -0.12 0.00 0.00 57.88 56.68 1ysi h LEU 12 Cb 0.61 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 1ysi h LEU 12 CO 0.03 1.67 -0.76 1.62 -0.62 0.00 0.00 178.44 180.38 1ysi h VAL 13 N -0.07 1.51 -0.04 1.05 3.04 -1.68 -2.85 116.25 117.21 1ysi h VAL 13 Ca -0.28 -2.51 -0.21 0.00 -1.01 0.00 0.00 66.70 62.69 1ysi h VAL 13 Cb 1.95 2.36 -0.00 0.00 -2.01 0.00 0.00 31.29 33.59 1ysi h VAL 13 CO 0.16 0.72 -0.84 1.62 -1.01 0.00 0.00 177.57 178.22 1ysi h VAL 14 N 0.03 1.39 0.21 1.51 3.04 -1.69 0.89 116.25 121.64 1ysi h VAL 14 Ca -0.01 -2.30 -0.01 0.00 -1.01 0.00 0.00 66.70 63.36 1ysi h VAL 14 Cb 1.33 2.27 0.00 0.00 -2.01 0.00 0.00 31.29 32.88 1ysi h VAL 14 CO 0.10 0.69 -0.10 -0.78 -1.01 0.00 0.00 177.57 176.47 1ysi h ASP 15 N 0.26 -0.24 -0.15 3.17 1.82 -1.38 -0.75 116.42 119.15 1ysi h ASP 15 Ca -0.06 -0.11 -0.12 0.00 -0.39 0.00 0.00 57.03 56.35 1ysi h ASP 15 Cb 1.45 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.51 1ysi h ASP 15 CO 0.15 -0.03 -0.30 0.15 -1.61 0.00 0.00 179.24 177.59 1ysi h PHE 16 N -0.45 0.73 0.48 0.28 3.57 -1.55 -2.61 116.94 117.39 1ysi h PHE 16 Ca -0.03 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.28 1ysi h PHE 16 Cb 0.34 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1ysi h PHE 16 CO -0.02 0.87 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.44 1ysi h LEU 17 N 0.54 -1.12 -1.26 0.59 3.38 -0.60 -1.71 115.31 115.13 1ysi h LEU 17 Ca 0.07 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.24 1ysi h LEU 17 Cb 0.79 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 1ysi h LEU 17 CO 0.06 -0.59 0.57 -1.28 0.09 0.00 0.00 178.44 177.29 1ysi h SER 18 N -0.89 0.71 -0.63 -0.43 0.87 -1.11 0.26 113.55 112.32 1ysi h SER 18 Ca -0.05 0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.62 1ysi h SER 18 Cb 0.77 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 1ysi h SER 18 CO -0.03 0.38 0.42 0.22 -0.53 0.00 0.00 176.83 177.29 1ysi h TYR 19 N 0.76 0.56 0.00 2.24 3.20 -0.93 0.18 116.97 122.98 1ysi h TYR 19 Ca 0.43 0.01 -0.24 0.00 3.14 0.00 0.00 58.73 62.07 1ysi h TYR 19 Cb 0.58 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 1ysi h TYR 19 CO -0.00 0.28 -1.61 1.17 -1.64 0.00 0.00 178.16 176.36 1ysi n LYS 20 N -4.48 0.63 -0.03 1.82 3.00 0.35 -3.96 118.16 115.49 1ysi n LYS 20 Ca 0.10 0.25 -0.14 0.00 -0.00 0.00 0.00 58.31 58.52 1ysi n LYS 20 Cb 0.31 -1.79 -0.10 0.00 0.00 0.00 0.00 35.03 33.45 1ysi n LYS 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1ysi h LEU 21 N 0.00 0.11 -2.03 3.14 3.38 0.28 -3.03 115.31 117.17 1ysi h LEU 21 Ca -0.24 -0.62 0.13 0.00 0.09 0.00 0.00 57.88 57.24 1ysi h LEU 21 Cb 1.83 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.53 1ysi h LEU 21 CO 0.06 0.71 0.39 -1.28 0.09 0.00 0.00 178.44 178.41 1ysi h SER 22 N -0.48 0.00 0.28 -0.43 0.87 -0.86 0.42 113.55 113.35 1ysi h SER 22 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1ysi h SER 22 Cb 0.70 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1ysi h SER 22 CO 0.02 0.00 -0.33 1.56 -0.53 0.00 0.00 176.83 177.55 1ysi h GLN 23 N 0.00 0.07 0.00 2.24 4.20 -1.65 -2.93 115.11 117.04 1ysi h GLN 23 Ca 0.21 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.65 1ysi h GLN 23 Cb 0.99 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.72 1ysi h GLN 23 CO -0.00 0.40 -1.72 1.63 -0.67 0.00 0.00 178.83 178.46 1ysi n LYS 24 N -4.13 0.64 0.00 1.46 4.76 0.13 -4.98 118.16 116.03 1ysi n LYS 24 Ca -0.02 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1ysi n LYS 24 Cb 0.38 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 1ysi n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ysi n GLY 25 N 1.51 1.74 0.04 0.72 0.00 -0.02 -5.01 105.19 104.17 1ysi n GLY 25 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 1ysi n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ysi n TYR 26 N -0.63 0.00 -4.69 1.61 4.01 -1.12 -5.01 117.16 111.34 1ysi n TYR 26 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ysi n TYR 26 Cb 0.00 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 38.44 1ysi n TYR 26 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ysi n SER 27 N -2.34 -1.68 0.00 7.72 2.88 -1.26 -4.77 113.62 114.17 1ysi n SER 27 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1ysi n SER 27 Cb 0.74 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 1ysi n SER 27 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1ysi n TRP 28 N 0.00 -0.69 -0.07 0.66 -0.00 -1.26 -4.70 117.44 111.37 1ysi n TRP 28 Ca 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 57.50 57.74 1ysi n TRP 28 Cb 0.00 0.26 0.71 0.00 -0.00 0.00 0.00 31.31 32.29 1ysi n TRP 28 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 1ysi h SER 29 N 0.00 0.00 0.50 5.87 0.87 -1.91 0.57 113.55 119.45 1ysi h SER 29 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ysi h SER 29 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ysi h SER 29 CO 0.00 0.00 -0.26 1.67 -0.53 0.00 0.00 176.83 177.71 1ysi n GLN 30 N -4.24 0.34 0.00 2.24 7.27 -1.26 -3.51 117.38 118.22 1ysi n GLN 30 Ca 0.13 -0.15 0.00 0.00 0.07 0.00 0.00 57.00 57.05 1ysi n GLN 30 Cb 0.77 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.92 1ysi n GLN 30 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1ysi n PHE 31 N -1.20 0.00 -1.07 3.69 3.01 0.20 -3.42 117.46 118.68 1ysi n PHE 31 Ca 0.09 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.50 1ysi n PHE 31 Cb 0.32 -0.39 0.30 0.00 -0.01 0.00 0.00 39.48 39.71 1ysi n PHE 31 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1ysi n SER 32 N -1.84 4.72 0.00 4.37 7.64 -1.25 -4.64 113.62 122.61 1ysi n SER 32 Ca 0.00 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.63 1ysi n SER 32 Cb 0.00 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1ysi n SER 32 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ysi n ASP 33 N -0.22 0.00 -0.04 6.43 2.03 -1.22 -4.98 116.55 118.54 1ysi n ASP 33 Ca 0.40 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1ysi n ASP 33 Cb 1.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.77 1ysi n ASP 33 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ysi n VAL 34 N 0.00 -1.03 -1.11 5.18 0.24 -1.26 -4.68 118.33 115.67 1ysi n VAL 34 Ca 0.00 0.06 -0.35 0.00 -2.04 0.00 0.00 64.34 62.01 1ysi n VAL 34 Cb 0.00 -0.08 0.08 0.00 -1.47 0.00 0.00 33.84 32.37 1ysi n VAL 34 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ysi n GLU 35 N -1.04 0.12 -3.93 7.34 1.02 -1.26 -4.98 120.64 117.91 1ysi n GLU 35 Ca 0.00 0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.92 1ysi n GLU 35 Cb 0.00 -1.83 -0.15 0.00 -0.02 0.00 0.00 31.44 29.44 1ysi n GLU 35 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1ysi s GLU 36 N -3.03 1.36 0.00 3.49 1.03 -1.26 -5.04 118.70 115.26 1ysi s GLU 36 Ca 0.62 -1.41 0.00 0.00 0.03 0.00 0.00 54.97 54.21 1ysi s GLU 36 Cb -0.30 -2.71 0.00 0.00 -0.80 0.00 0.00 34.13 30.31 1ysi s GLU 36 CO 0.61 -0.84 0.54 -1.71 -1.33 0.00 0.00 175.26 172.53 1ysi n ASN 37 N 4.52 0.00 0.00 0.83 2.85 -1.26 -5.00 115.26 117.21 1ysi n ASN 37 Ca -0.03 0.54 0.00 0.00 -0.11 0.00 0.00 54.58 54.98 1ysi n ASN 37 Cb 0.43 -0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.41 1ysi n ASN 37 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ysi n ARG 38 N -0.77 0.00 -2.77 1.20 1.74 -1.26 -5.05 116.66 109.75 1ysi n ARG 38 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1ysi n ARG 38 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.48 1ysi n ARG 38 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1ysi n THR 39 N 0.00 -7.24 0.00 0.55 -1.04 -1.26 -4.99 114.28 100.31 1ysi n THR 39 Ca 0.00 -0.86 -0.01 0.00 -2.04 0.00 0.00 64.05 61.15 1ysi n THR 39 Cb 0.00 -5.71 -0.00 0.00 -1.82 0.00 0.00 70.33 62.79 1ysi n THR 39 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1ysi h GLU 40 N -0.59 -0.06 -1.42 -2.82 3.07 -2.05 -3.44 114.58 107.28 1ysi h GLU 40 Ca -0.37 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.07 1ysi h GLU 40 Cb 1.19 0.01 -0.32 0.00 -0.84 0.00 0.00 28.75 28.79 1ysi h GLU 40 CO 0.31 -0.04 -0.96 0.00 -1.40 0.00 0.00 179.01 176.92 1ysi n ALA 41 N -2.35 1.24 0.16 3.43 0.00 -1.26 -4.92 120.51 116.81 1ysi n ALA 41 Ca -0.01 -2.83 0.02 0.00 0.00 0.00 0.00 53.44 50.62 1ysi n ALA 41 Cb 0.02 -0.99 0.24 0.00 0.00 0.00 0.00 19.45 18.73 1ysi n ALA 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ysi h PRO 42 N 3.32 0.00 0.00 0.00 0.13 -2.00 -3.46 132.00 129.98 1ysi h PRO 42 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1ysi h PRO 42 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1ysi h PRO 42 CO 0.40 0.49 0.00 -1.91 -0.23 0.00 0.00 178.00 176.76 1ysi n GLU 43 N -3.60 0.00 0.00 0.86 2.13 -1.26 -4.82 120.64 113.95 1ysi n GLU 43 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ysi n GLU 43 Cb 0.58 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.29 1ysi n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ysi n GLY 44 N 0.00 1.63 0.46 8.31 0.00 -1.26 -3.71 105.19 110.61 1ysi n GLY 44 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ysi n GLY 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ysi n THR 45 N 0.00 0.00 -3.41 2.61 -1.04 -1.26 -5.02 114.28 106.16 1ysi n THR 45 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1ysi n THR 45 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 1ysi n THR 45 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1ysi n GLU 46 N -1.59 -0.85 -2.15 -2.82 -0.00 -1.24 -4.77 120.64 107.22 1ysi n GLU 46 Ca 0.00 0.09 -0.32 0.00 -0.00 0.00 0.00 57.16 56.93 1ysi n GLU 46 Cb 0.00 -3.01 0.02 0.00 -0.00 0.00 0.00 31.44 28.45 1ysi n GLU 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1ysi n SER 47 N -1.27 5.97 -4.83 -1.84 2.88 -1.26 -5.02 113.62 108.25 1ysi n SER 47 Ca 0.07 -3.77 -0.37 0.00 -1.33 0.00 0.00 58.87 53.47 1ysi n SER 47 Cb 0.29 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 62.98 1ysi n SER 47 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ysi s GLU 48 N -3.76 4.09 -0.09 -1.46 2.02 -1.26 -4.97 118.70 113.27 1ysi s GLU 48 Ca 0.51 0.62 0.10 0.00 0.02 0.00 0.00 54.97 56.22 1ysi s GLU 48 Cb 0.42 -3.10 -0.15 0.00 0.10 0.00 0.00 34.13 31.41 1ysi s GLU 48 CO -0.24 0.57 0.09 0.00 0.02 0.00 0.00 175.26 175.71 1ysi n ALA 89 N 1.32 1.90 -0.18 5.21 0.00 -1.26 -4.56 120.51 122.95 1ysi n ALA 89 Ca -0.08 -0.62 -0.02 0.00 0.00 0.00 0.00 53.44 52.72 1ysi n ALA 89 Cb 0.51 -0.09 0.08 0.00 0.00 0.00 0.00 19.45 19.96 1ysi n ALA 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ysi h VAL 90 N 0.00 0.78 -0.61 0.00 2.07 -1.93 0.13 116.25 116.68 1ysi h VAL 90 Ca -0.23 -0.12 0.15 0.00 0.82 0.00 0.00 66.70 67.33 1ysi h VAL 90 Cb 1.40 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1ysi h VAL 90 CO 0.01 0.06 0.43 0.50 0.02 0.00 0.00 177.57 178.59 1ysi h LYS 91 N 0.35 0.15 0.52 1.57 3.11 -1.98 0.25 116.57 120.54 1ysi h LYS 91 Ca 0.27 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 58.07 1ysi h LYS 91 Cb 0.32 -0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.52 1ysi h LYS 91 CO -0.29 0.10 -0.25 1.96 -2.81 0.00 0.00 179.45 178.16 1ysi h GLN 92 N 0.16 -0.67 0.09 1.90 4.20 -1.01 -1.51 115.11 118.27 1ysi h GLN 92 Ca 0.29 0.05 0.02 0.00 0.06 0.00 0.00 58.65 59.07 1ysi h GLN 92 Cb 0.94 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.85 1ysi h GLN 92 CO -0.04 -0.39 -0.21 0.00 -0.67 0.00 0.00 178.83 177.52 1ysi h ALA 93 N -0.97 -0.34 -0.53 3.87 0.00 -1.05 -0.00 119.26 120.24 1ysi h ALA 93 Ca -0.07 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1ysi h ALA 93 Cb 0.59 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1ysi h ALA 93 CO 0.12 -0.73 0.44 -0.07 0.00 0.00 0.00 179.25 179.01 1ysi h LEU 94 N -0.38 0.00 0.40 0.00 4.07 -1.04 0.21 115.31 118.57 1ysi h LEU 94 Ca 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1ysi h LEU 94 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1ysi h LEU 94 CO -0.13 0.00 -0.19 -0.09 -1.08 0.00 0.00 178.44 176.95 1ysi h ARG 95 N 0.00 -0.51 -0.57 1.13 2.43 0.09 -2.61 114.38 114.33 1ysi h ARG 95 Ca 0.25 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.48 1ysi h ARG 95 Cb 1.13 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1ysi h ARG 95 CO -0.00 -0.34 0.38 0.93 -1.51 0.00 0.00 179.97 179.42 1ysi h GLU 96 N -0.88 0.69 -0.43 0.20 5.08 -0.92 -2.09 114.58 116.23 1ysi h GLU 96 Ca -0.05 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1ysi h GLU 96 Cb 0.41 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1ysi h GLU 96 CO 0.09 0.46 0.10 0.00 -1.00 0.00 0.00 179.01 178.66 1ysi h ALA 97 N 1.66 0.48 -0.47 3.43 0.00 -0.62 0.90 119.26 124.64 1ysi h ALA 97 Ca 0.22 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.34 1ysi h ALA 97 Cb 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ysi h ALA 97 CO -0.05 -0.30 0.39 0.78 0.00 0.00 0.00 179.25 180.07 1ysi h GLY 98 N 0.24 0.00 0.00 0.00 0.00 -0.97 0.54 103.07 102.88 1ysi h GLY 98 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 1ysi h GLY 98 CO -0.25 0.00 -0.90 1.34 0.00 0.00 0.00 176.54 176.72 1ysi n ASP 99 N -4.10 1.85 0.04 0.19 -0.08 0.58 -3.46 116.55 111.58 1ysi n ASP 99 Ca 0.08 0.52 -0.11 0.00 -1.51 0.00 0.00 54.79 53.78 1ysi n ASP 99 Cb 0.59 -0.87 -0.04 0.00 2.34 0.00 0.00 41.12 43.14 1ysi n ASP 99 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1ysi h GLU 100 N -1.00 -0.26 -0.21 -0.67 4.39 0.85 0.55 114.58 118.23 1ysi h GLU 100 Ca -0.13 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.65 1ysi h GLU 100 Cb 0.84 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1ysi h GLU 100 CO -0.08 -0.17 0.20 0.35 -1.16 0.00 0.00 179.01 178.15 1ysi h PHE 101 N -0.27 0.00 -1.16 4.33 3.57 -0.09 -1.92 116.94 121.41 1ysi h PHE 101 Ca 0.06 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 61.03 1ysi h PHE 101 Cb 0.35 0.00 -0.19 0.00 2.79 0.00 0.00 35.95 38.90 1ysi h PHE 101 CO -0.24 0.00 0.52 -1.91 -2.23 0.00 0.00 178.31 174.45 1ysi n GLU 102 N -4.04 2.41 0.16 1.11 2.13 0.18 -3.67 120.64 118.92 1ysi n GLU 102 Ca 0.02 -2.49 0.00 0.00 0.66 0.00 0.00 57.16 55.35 1ysi n GLU 102 Cb 0.33 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 29.93 1ysi n GLU 102 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1ysi n LEU 103 N 0.53 -1.93 0.16 4.31 0.00 -0.72 -4.88 117.00 114.46 1ysi n LEU 103 Ca 0.48 0.58 0.01 0.00 0.00 0.00 0.00 56.01 57.08 1ysi n LEU 103 Cb 0.51 1.93 0.25 0.00 0.00 0.00 0.00 43.42 46.12 1ysi n LEU 103 CO 0.38 -0.25 0.59 -0.09 0.00 0.00 0.00 177.39 178.02 1ysi h ARG 104 N 0.00 0.00 -3.27 1.96 2.43 -1.73 -3.32 114.38 110.45 1ysi h ARG 104 Ca 0.00 0.00 -0.78 0.00 -0.81 0.00 0.00 59.98 58.39 1ysi h ARG 104 Cb 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 29.97 29.25 1ysi h ARG 104 CO 0.00 0.51 0.44 0.66 -1.51 0.00 0.00 179.97 180.06 1ysi n TYR 105 N -3.85 4.13 -0.17 2.20 4.02 -1.24 -4.84 117.16 117.41 1ysi n TYR 105 Ca -0.01 -3.55 0.19 0.00 -0.01 0.00 0.00 57.90 54.52 1ysi n TYR 105 Cb 0.54 -1.44 0.56 0.00 -0.02 0.00 0.00 39.34 38.98 1ysi n TYR 105 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1ysi h ARG 106 N 6.07 0.29 -3.67 -0.72 2.43 -1.88 -3.30 114.38 113.59 1ysi h ARG 106 Ca 0.18 -0.02 -0.59 0.00 -0.81 0.00 0.00 59.98 58.74 1ysi h ARG 106 Cb 0.77 -0.06 -0.40 0.00 -0.42 0.00 0.00 29.97 29.86 1ysi h ARG 106 CO 1.09 0.19 -0.75 1.03 -1.51 0.00 0.00 179.97 180.01 1ysi s ARG 107 N -5.30 0.82 0.00 0.20 0.52 -1.26 -4.99 118.95 108.94 1ysi s ARG 107 Ca -0.07 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 53.94 1ysi s ARG 107 Cb 0.22 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.55 1ysi s ARG 107 CO 0.77 -0.99 0.00 0.00 0.02 0.00 0.00 175.30 175.10 1ysi n ALA 108 N 4.74 0.86 -1.74 2.13 0.00 -1.25 -4.80 120.51 120.45 1ysi n ALA 108 Ca -0.01 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 1ysi n ALA 108 Cb 0.42 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.97 1ysi n ALA 108 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ysi n PHE 109 N -2.41 1.89 -0.00 0.00 -1.74 -1.26 -4.74 117.46 109.20 1ysi n PHE 109 Ca 0.00 -2.03 0.20 0.00 -0.56 0.00 0.00 57.45 55.05 1ysi n PHE 109 Cb 0.00 -0.48 0.68 0.00 1.52 0.00 0.00 39.48 41.20 1ysi n PHE 109 CO 0.00 0.00 0.00 0.77 -0.56 0.00 0.00 176.76 176.97 1ysi h SER 110 N 1.66 0.02 0.33 5.98 0.02 -1.94 -0.56 113.55 119.06 1ysi h SER 110 Ca 0.29 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.92 1ysi h SER 110 Cb 1.38 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.90 1ysi h SER 110 CO 0.62 0.01 -1.77 -0.78 -1.14 0.00 0.00 176.83 173.77 1ysi h ASP 111 N 0.02 0.29 0.39 3.07 3.58 -1.98 -3.21 116.42 118.57 1ysi h ASP 111 Ca 0.25 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 57.14 1ysi h ASP 111 Cb 0.99 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 1ysi h ASP 111 CO -0.01 1.48 -0.26 -0.07 -2.88 0.00 0.00 179.24 177.51 1ysi h LEU 112 N 0.05 -0.65 -0.39 2.28 3.38 -1.49 0.03 115.31 118.52 1ysi h LEU 112 Ca -0.33 0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.74 1ysi h LEU 112 Cb 2.02 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.92 1ysi h LEU 112 CO 0.11 -0.40 0.10 0.71 0.09 0.00 0.00 178.44 179.04 1ysi h THR 113 N -0.63 0.83 -0.06 0.22 1.35 -1.41 0.26 112.91 113.47 1ysi h THR 113 Ca -0.04 -0.08 0.02 0.00 -0.55 0.00 0.00 66.41 65.76 1ysi h THR 113 Cb 0.53 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1ysi h THR 113 CO 0.03 0.04 0.11 -1.28 -0.25 0.00 0.00 175.52 174.17 1ysi h SER 114 N 0.23 0.00 -0.42 5.36 0.87 -1.47 0.21 113.55 118.34 1ysi h SER 114 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1ysi h SER 114 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1ysi h SER 114 CO -0.22 0.00 0.00 1.67 -0.53 0.00 0.00 176.83 177.75 1ysi n GLN 115 N -3.49 3.65 -2.51 2.24 -0.06 0.88 -4.15 117.38 113.94 1ysi n GLN 115 Ca -0.01 -2.22 -0.13 0.00 -2.00 0.00 0.00 57.00 52.64 1ysi n GLN 115 Cb 0.19 -1.99 0.03 0.00 -4.06 0.00 0.00 30.24 24.41 1ysi n GLN 115 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1ysi n LEU 116 N 0.50 3.03 -4.67 1.69 0.00 0.75 -4.92 117.00 113.38 1ysi n LEU 116 Ca 0.20 -4.00 -0.50 0.00 0.00 0.00 0.00 56.01 51.71 1ysi n LEU 116 Cb 0.88 0.08 -0.05 0.00 0.00 0.00 0.00 43.42 44.34 1ysi n LEU 116 CO 0.22 1.64 1.30 1.57 0.00 0.00 0.00 177.39 182.12 1ysi n HIS 117 N -0.51 2.16 -2.47 1.96 -0.00 -1.26 -4.90 115.22 110.20 1ysi n HIS 117 Ca 0.23 0.25 -0.41 0.00 0.46 0.00 0.00 57.72 58.25 1ysi n HIS 117 Cb 0.83 -2.55 -0.04 0.00 -0.12 0.00 0.00 29.99 28.12 1ysi n HIS 117 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1ysi s ILE 118 N 2.59 3.87 -0.11 3.57 -1.09 -1.26 -4.94 121.20 123.84 1ysi s ILE 118 Ca 0.89 1.52 -0.33 0.00 -2.23 0.00 0.00 60.65 60.50 1ysi s ILE 118 Cb -0.79 -3.97 0.13 0.00 -1.58 0.00 0.00 42.46 36.24 1ysi s ILE 118 CO 0.49 0.22 1.19 0.42 -1.23 0.00 0.00 174.94 176.03 1ysi s THR 119 N 0.17 0.00 -1.00 2.92 -4.23 -1.26 -5.04 115.64 107.20 1ysi s THR 119 Ca 0.53 -0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.80 1ysi s THR 119 Cb -0.30 -1.34 -0.08 0.00 1.34 0.00 0.00 72.50 72.12 1ysi s THR 119 CO 0.34 0.00 2.14 -0.81 -0.54 0.00 0.00 174.62 175.75 1ysi n PRO 120 N -0.24 2.13 0.00 3.99 -0.04 -1.26 -4.09 135.00 135.49 1ysi n PRO 120 Ca -0.03 -1.82 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 1ysi n PRO 120 Cb 0.60 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 1ysi n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ysi n GLY 121 N 4.07 -1.67 3.25 0.55 0.00 -1.26 -5.14 105.19 104.98 1ysi n GLY 121 Ca 0.51 0.49 -0.23 0.00 0.00 0.00 0.00 46.02 46.79 1ysi n GLY 121 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ysi n THR 122 N -1.05 0.00 0.00 2.61 5.66 -1.26 -4.99 114.28 115.25 1ysi n THR 122 Ca 0.00 -1.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.00 1ysi n THR 122 Cb 0.00 -1.37 0.00 0.00 -1.55 0.00 0.00 70.33 67.41 1ysi n THR 122 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ysi n ALA 123 N -3.44 0.00 0.03 1.79 0.00 -1.26 -4.76 120.51 112.88 1ysi n ALA 123 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 1ysi n ALA 123 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 1ysi n ALA 123 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1ysi h TYR 124 N 0.00 0.00 0.36 0.00 5.03 -1.96 -3.03 116.97 117.37 1ysi h TYR 124 Ca 0.00 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1ysi h TYR 124 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1ysi h TYR 124 CO 0.00 0.62 -0.17 1.96 -1.32 0.00 0.00 178.16 179.25 1ysi h GLN 125 N 0.00 -0.47 -0.37 1.82 4.20 -1.97 0.15 115.11 118.47 1ysi h GLN 125 Ca -0.16 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1ysi h GLN 125 Cb 1.61 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 29.48 1ysi h GLN 125 CO 0.05 -0.31 0.08 0.77 -0.67 0.00 0.00 178.83 178.75 1ysi h SER 126 N -0.59 0.50 -0.11 1.46 0.02 -1.95 0.13 113.55 113.01 1ysi h SER 126 Ca -0.05 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1ysi h SER 126 Cb 0.37 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1ysi h SER 126 CO 0.08 0.51 0.04 0.15 -1.14 0.00 0.00 176.83 176.47 1ysi h PHE 127 N 0.53 0.17 -0.29 3.45 3.04 -1.51 -1.54 116.94 120.78 1ysi h PHE 127 Ca 0.12 -0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.89 1ysi h PHE 127 Cb 0.22 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.68 1ysi h PHE 127 CO 0.01 0.29 -0.47 1.49 -2.02 0.00 0.00 178.31 177.61 1ysi h GLU 128 N 0.00 0.78 0.22 1.11 4.81 -0.39 0.11 114.58 121.22 1ysi h GLU 128 Ca 0.04 -0.45 0.01 0.00 -0.13 0.00 0.00 59.36 58.82 1ysi h GLU 128 Cb 0.20 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1ysi h GLU 128 CO -0.00 1.07 -0.25 0.37 -0.73 0.00 0.00 179.01 179.47 1ysi h GLN 129 N 0.62 -0.50 -0.02 1.92 4.15 -0.60 0.81 115.11 121.50 1ysi h GLN 129 Ca 0.03 0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.35 1ysi h GLN 129 Cb 1.04 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 1ysi h GLN 129 CO 0.10 -0.33 -0.64 0.28 -1.93 0.00 0.00 178.83 176.31 1ysi h VAL 130 N -0.51 1.44 -0.09 2.39 2.07 -1.30 -2.88 116.25 117.38 1ysi h VAL 130 Ca 0.00 -2.16 -0.03 0.00 0.82 0.00 0.00 66.70 65.33 1ysi h VAL 130 Cb 0.49 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1ysi h VAL 130 CO -0.07 0.62 -0.04 0.58 0.02 0.00 0.00 177.57 178.67 1ysi h VAL 131 N 0.04 1.33 -0.64 2.57 2.07 -0.27 -2.74 116.25 118.61 1ysi h VAL 131 Ca -0.01 -1.07 0.11 0.00 0.82 0.00 0.00 66.70 66.55 1ysi h VAL 131 Cb 1.14 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 1ysi h VAL 131 CO 0.09 0.30 0.43 -1.13 0.02 0.00 0.00 177.57 177.28 1ysi h ASN 132 N -0.19 0.39 -0.42 0.57 -0.73 0.64 0.29 115.58 116.13 1ysi h ASN 132 Ca 0.02 0.01 0.08 0.00 1.87 0.00 0.00 56.30 58.28 1ysi h ASN 132 Cb 0.50 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.99 1ysi h ASN 132 CO 0.01 0.23 0.29 -0.33 -0.37 0.00 0.00 177.43 177.27 1ysi h GLU 133 N 0.43 0.20 -0.00 6.67 4.39 -1.26 -1.44 114.58 123.58 1ysi h GLU 133 Ca 0.30 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.83 1ysi h GLU 133 Cb 0.58 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1ysi h GLU 133 CO -0.09 0.13 -0.62 -0.07 -1.16 0.00 0.00 179.01 177.20 1ysi h LEU 134 N 0.21 0.56 -4.86 1.33 3.38 -0.40 -3.29 115.31 112.23 1ysi h LEU 134 Ca 0.19 -0.76 -0.56 0.00 0.09 0.00 0.00 57.88 56.85 1ysi h LEU 134 Cb 0.50 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 40.94 1ysi h LEU 134 CO -0.03 1.24 1.12 0.49 0.09 0.00 0.00 178.44 181.34 1ysi n PHE 135 N -4.20 1.81 -0.01 1.13 3.72 -0.56 -4.23 117.46 115.12 1ysi n PHE 135 Ca -0.10 -2.23 -0.02 0.00 -0.05 0.00 0.00 57.45 55.05 1ysi n PHE 135 Cb 0.68 -1.59 -0.01 0.00 -0.94 0.00 0.00 39.48 37.62 1ysi n PHE 135 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1ysi n ARG 136 N 1.40 0.04 0.05 -1.08 0.63 -1.13 -4.65 116.66 111.92 1ysi n ARG 136 Ca 0.54 0.02 0.18 0.00 -0.92 0.00 0.00 57.85 57.67 1ysi n ARG 136 Cb 0.47 -0.61 0.69 0.00 0.45 0.00 0.00 32.46 33.46 1ysi n ARG 136 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1ysi h ASP 137 N -0.06 0.00 0.00 6.15 5.19 -1.81 -3.44 116.42 122.45 1ysi h ASP 137 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1ysi h ASP 137 Cb 1.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1ysi h ASP 137 CO -0.03 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.70 1ysi n GLY 138 N -1.62 3.23 3.68 2.75 0.00 -1.26 -5.08 105.19 106.89 1ysi n GLY 138 Ca 0.08 -0.15 -0.48 0.00 0.00 0.00 0.00 46.02 45.46 1ysi n GLY 138 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ysi n VAL 139 N 0.00 0.57 -4.31 1.61 0.31 -1.26 -4.92 118.33 110.32 1ysi n VAL 139 Ca 0.00 -0.10 -0.16 0.00 -0.01 0.00 0.00 64.34 64.06 1ysi n VAL 139 Cb 0.00 -1.87 -0.10 0.00 -0.91 0.00 0.00 33.84 30.96 1ysi n VAL 139 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1ysi s ASN 140 N 3.99 1.18 0.11 4.52 3.84 -1.26 -5.02 114.94 122.29 1ysi s ASN 140 Ca 0.92 -1.40 -0.20 0.00 0.21 0.00 0.00 52.86 52.39 1ysi s ASN 140 Cb -0.69 0.19 -0.08 0.00 -0.55 0.00 0.00 41.25 40.12 1ysi s ASN 140 CO 0.51 -0.75 1.71 -0.50 -2.79 0.00 0.00 177.10 175.28 1ysi h TRP 141 N 2.38 0.26 -0.58 0.43 -0.00 -1.99 -1.51 115.95 114.93 1ysi h TRP 141 Ca -0.38 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.50 1ysi h TRP 141 Cb 1.25 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.16 30.30 1ysi h TRP 141 CO 0.50 0.23 0.32 0.78 -0.00 0.00 0.00 178.44 180.27 1ysi h GLY 142 N 0.20 0.86 0.63 1.49 0.00 -1.98 -1.44 103.07 102.83 1ysi h GLY 142 Ca 0.07 -0.39 0.12 0.00 0.00 0.00 0.00 47.33 47.13 1ysi h GLY 142 CO -0.01 0.37 0.58 3.21 0.00 0.00 0.00 176.54 180.69 1ysi h ARG 143 N 0.78 0.80 0.00 4.80 3.08 -1.84 0.40 114.38 122.40 1ysi h ARG 143 Ca 0.20 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 1ysi h ARG 143 Cb 0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1ysi h ARG 143 CO -0.03 0.53 -0.34 0.82 -1.07 0.00 0.00 179.97 179.87 1ysi h ILE 144 N 0.82 0.96 0.02 2.04 2.04 -0.26 -1.24 117.51 121.89 1ysi h ILE 144 Ca 0.43 -1.32 -0.23 0.00 1.00 0.00 0.00 64.86 64.75 1ysi h ILE 144 Cb 0.53 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1ysi h ILE 144 CO -0.20 0.34 -1.10 0.58 0.00 0.00 0.00 178.15 177.77 1ysi h VAL 145 N 0.00 1.61 -0.05 1.67 2.07 0.43 -2.67 116.25 119.31 1ysi h VAL 145 Ca -0.00 -3.31 -0.22 0.00 0.82 0.00 0.00 66.70 63.98 1ysi h VAL 145 Cb 0.75 2.83 0.02 0.00 -1.52 0.00 0.00 31.29 33.36 1ysi h VAL 145 CO 0.04 0.93 -0.84 0.00 0.02 0.00 0.00 177.57 177.73 1ysi h ALA 146 N 0.93 0.17 0.00 1.67 0.00 -0.45 -2.51 119.26 119.07 1ysi h ALA 146 Ca -0.05 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 1ysi h ALA 146 Cb 1.82 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1ysi h ALA 146 CO 0.14 0.59 -0.41 0.35 0.00 0.00 0.00 179.25 179.91 1ysi h PHE 147 N 0.31 0.00 0.46 0.00 3.04 -1.31 -0.18 116.94 119.25 1ysi h PHE 147 Ca -0.09 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.84 1ysi h PHE 147 Cb 1.49 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.01 1ysi h PHE 147 CO 0.11 0.41 -0.22 0.74 -2.02 0.00 0.00 178.31 177.33 1ysi h PHE 148 N 0.00 -0.57 -0.51 0.41 0.04 -1.43 -2.42 116.94 112.47 1ysi h PHE 148 Ca -0.00 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.78 1ysi h PHE 148 Cb 0.73 0.19 -0.03 0.00 2.20 0.00 0.00 35.95 39.04 1ysi h PHE 148 CO 0.00 -0.35 0.34 0.77 -0.60 0.00 0.00 178.31 178.46 1ysi h SER 149 N -1.11 0.51 -0.39 2.17 0.02 -1.47 -1.93 113.55 111.35 1ysi h SER 149 Ca -0.06 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1ysi h SER 149 Cb 0.47 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1ysi h SER 149 CO 0.10 0.36 0.25 0.15 -1.14 0.00 0.00 176.83 176.55 1ysi h PHE 150 N 0.60 0.48 0.63 3.45 3.57 -1.04 0.12 116.94 124.75 1ysi h PHE 150 Ca 0.20 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1ysi h PHE 150 Cb 0.06 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.65 1ysi h PHE 150 CO -0.00 0.30 -0.30 0.78 -2.23 0.00 0.00 178.31 176.85 1ysi h GLY 151 N 0.51 -0.89 0.62 2.40 0.00 -0.84 -2.28 103.07 102.59 1ysi h GLY 151 Ca 0.14 0.33 0.19 0.00 0.00 0.00 0.00 47.33 47.99 1ysi h GLY 151 CO -0.04 -0.32 0.50 -1.33 0.00 0.00 0.00 176.54 175.35 1ysi h GLY 152 N -1.03 0.23 1.39 4.60 0.00 -1.33 0.22 103.07 107.14 1ysi h GLY 152 Ca -0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1ysi h GLY 152 CO 0.14 0.01 -0.18 0.00 0.00 0.00 0.00 176.54 176.51 1ysi h ALA 153 N 1.65 0.97 -0.13 3.60 0.00 -0.39 0.13 119.26 125.10 1ysi h ALA 153 Ca 0.35 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1ysi h ALA 153 Cb 1.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ysi h ALA 153 CO -0.04 0.60 -0.46 1.25 0.00 0.00 0.00 179.25 180.60 1ysi h LEU 154 N 0.64 0.35 0.01 0.00 5.85 -0.03 -2.36 115.31 119.76 1ysi h LEU 154 Ca 0.10 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1ysi h LEU 154 Cb 0.66 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1ysi h LEU 154 CO 0.05 0.77 -0.05 0.00 -0.34 0.00 0.00 178.44 178.86 1ysi h VAL 156 N -0.86 0.78 0.01 0.00 2.07 -0.77 0.24 116.25 117.72 1ysi h VAL 156 Ca -0.01 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ysi h VAL 156 Cb 0.94 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1ysi h VAL 156 CO 0.01 0.04 -0.01 -0.33 0.02 0.00 0.00 177.57 177.31 1ysi h GLU 157 N 0.25 -0.02 -0.82 1.57 4.39 -1.45 -0.01 114.58 118.49 1ysi h GLU 157 Ca 0.31 0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.12 1ysi h GLU 157 Cb 0.87 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.47 1ysi h GLU 157 CO -0.07 0.63 0.53 1.03 -1.16 0.00 0.00 179.01 179.98 1ysi h SER 158 N -0.98 0.63 1.06 1.42 0.87 -0.80 -0.14 113.55 115.62 1ysi h SER 158 Ca -0.00 0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.39 1ysi h SER 158 Cb 0.65 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1ysi h SER 158 CO 0.00 0.36 -0.96 0.58 -0.53 0.00 0.00 176.83 176.28 1ysi h VAL 159 N 0.69 1.33 -0.71 2.23 2.07 -0.63 -1.69 116.25 119.55 1ysi h VAL 159 Ca 0.39 -2.95 0.05 0.00 0.82 0.00 0.00 66.70 65.01 1ysi h VAL 159 Cb 0.56 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 1ysi h VAL 159 CO -0.16 0.76 0.47 -0.78 0.02 0.00 0.00 177.57 177.88 1ysi h ASP 160 N 0.00 0.69 0.00 0.57 3.58 0.92 -3.30 116.42 118.88 1ysi h ASP 160 Ca -0.05 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1ysi h ASP 160 Cb 1.68 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.58 1ysi h ASP 160 CO 0.10 0.46 0.00 1.17 -2.88 0.00 0.00 179.24 178.09 1ysi n LYS 161 N -4.47 0.00 -1.37 0.28 4.81 -1.04 -4.96 118.16 111.41 1ysi n LYS 161 Ca 0.10 0.18 -0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1ysi n LYS 161 Cb 0.18 -0.72 0.01 0.00 0.02 0.00 0.00 35.03 34.51 1ysi n LYS 161 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ysi n GLU 162 N -1.04 0.10 -3.73 1.64 2.13 -1.22 -5.07 120.64 113.45 1ysi n GLU 162 Ca 0.00 -0.11 -0.28 0.00 0.66 0.00 0.00 57.16 57.43 1ysi n GLU 162 Cb 0.00 0.14 -0.11 0.00 0.27 0.00 0.00 31.44 31.74 1ysi n GLU 162 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 1ysi s MET 163 N 0.01 1.91 -0.39 5.31 -1.94 -0.64 -4.91 119.30 118.65 1ysi s MET 163 Ca 0.01 -2.89 0.05 0.00 -1.71 0.00 0.00 55.69 51.14 1ysi s MET 163 Cb 0.03 -2.73 0.63 0.00 2.01 0.00 0.00 34.83 34.77 1ysi s MET 163 CO -0.01 -1.31 1.83 1.04 -0.01 0.00 0.00 175.02 176.55 1ysi n GLN 164 N 2.32 2.40 -0.04 2.03 3.00 -1.26 -3.76 117.38 122.07 1ysi n GLN 164 Ca 0.22 -2.78 -0.03 0.00 -0.01 0.00 0.00 57.00 54.41 1ysi n GLN 164 Cb 0.39 -2.10 -0.09 0.00 0.00 0.00 0.00 30.24 28.44 1ysi n GLN 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1ysi n VAL 165 N -0.85 0.57 -0.24 5.09 0.31 -1.26 -3.96 118.33 117.99 1ysi n VAL 165 Ca 0.52 -0.43 0.05 0.00 -0.01 0.00 0.00 64.34 64.48 1ysi n VAL 165 Cb 1.54 -0.46 0.28 0.00 -0.91 0.00 0.00 33.84 34.29 1ysi n VAL 165 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ysi n LEU 166 N -2.29 4.13 0.01 7.52 4.77 -1.26 -4.26 117.00 125.62 1ysi n LEU 166 Ca -0.14 -2.09 -0.18 0.00 -0.03 0.00 0.00 56.01 53.56 1ysi n LEU 166 Cb 0.72 -0.60 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 1ysi n LEU 166 CO 0.25 0.53 0.21 0.58 -1.33 0.00 0.00 177.39 177.63 1ysi h VAL 167 N 2.81 1.37 -0.06 4.08 2.07 -1.81 -2.78 116.25 121.92 1ysi h VAL 167 Ca 0.00 -2.09 -0.09 0.00 0.82 0.00 0.00 66.70 65.34 1ysi h VAL 167 Cb 1.44 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 1ysi h VAL 167 CO 0.31 0.63 -0.36 -1.28 0.02 0.00 0.00 177.57 176.88 1ysi h SER 168 N 0.11 0.12 0.23 0.57 0.87 -1.90 -0.81 113.55 112.73 1ysi h SER 168 Ca -0.09 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1ysi h SER 168 Cb 1.42 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1ysi h SER 168 CO 0.15 0.48 -0.11 0.03 -0.53 0.00 0.00 176.83 176.85 1ysi h ARG 169 N 0.11 -0.29 -0.07 2.24 3.08 -1.80 0.13 114.38 117.78 1ysi h ARG 169 Ca 0.01 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ysi h ARG 169 Cb 0.69 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1ysi h ARG 169 CO 0.05 0.00 0.02 0.82 -1.07 0.00 0.00 179.97 179.80 1ysi h ILE 170 N -0.59 1.16 -0.14 2.04 2.04 -1.41 -1.77 117.51 118.83 1ysi h ILE 170 Ca -0.03 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1ysi h ILE 170 Cb 0.43 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1ysi h ILE 170 CO 0.05 0.13 0.10 0.00 0.00 0.00 0.00 178.15 178.43 1ysi h ALA 171 N 0.84 2.07 -0.15 1.87 0.00 -1.16 -1.94 119.26 120.79 1ysi h ALA 171 Ca 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1ysi h ALA 171 Cb 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ysi h ALA 171 CO -0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 179.25 178.99 1ysi h ALA 172 N 1.93 0.22 -0.76 0.00 0.00 -0.16 -0.50 119.26 119.98 1ysi h ALA 172 Ca 0.06 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.72 1ysi h ALA 172 Cb 0.19 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1ysi h ALA 172 CO -0.01 0.12 0.42 -1.49 0.00 0.00 0.00 179.25 178.29 1ysi h TRP 173 N -0.00 0.77 -0.03 0.00 6.55 -0.57 0.04 115.95 122.70 1ysi h TRP 173 Ca 0.02 0.03 -0.14 0.00 0.95 0.00 0.00 58.89 59.75 1ysi h TRP 173 Cb 0.70 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 28.75 1ysi h TRP 173 CO 0.09 0.32 -0.63 0.52 -1.05 0.00 0.00 178.44 177.68 1ysi h MET 174 N 0.73 0.10 -0.43 0.49 2.86 -1.40 -2.21 114.93 115.08 1ysi h MET 174 Ca 0.36 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.86 1ysi h MET 174 Cb 0.31 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1ysi h MET 174 CO -0.23 0.70 0.02 0.00 1.06 0.00 0.00 176.91 178.46 1ysi h ALA 175 N 1.28 0.57 -0.33 6.32 0.00 0.62 -2.58 119.26 125.14 1ysi h ALA 175 Ca -0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1ysi h ALA 175 Cb 1.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ysi h ALA 175 CO 0.09 0.33 -0.29 1.15 0.00 0.00 0.00 179.25 180.53 1ysi h THR 176 N 0.58 1.29 -0.68 0.00 2.02 -1.01 0.14 112.91 115.24 1ysi h THR 176 Ca 0.12 -1.45 0.14 0.00 0.77 0.00 0.00 66.41 65.99 1ysi h THR 176 Cb 0.45 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 1ysi h THR 176 CO 0.02 0.47 0.46 0.22 0.37 0.00 0.00 175.52 177.06 1ysi h TYR 177 N 0.55 0.35 0.00 3.16 5.03 -1.28 0.09 116.97 124.87 1ysi h TYR 177 Ca 0.06 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.27 1ysi h TYR 177 Cb 0.86 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 39.01 1ysi h TYR 177 CO 0.07 0.14 -1.42 -0.11 -1.32 0.00 0.00 178.16 175.51 1ysi n LEU 178 N -4.45 0.69 0.23 2.82 7.94 -0.98 -1.35 117.00 121.90 1ysi n LEU 178 Ca 0.13 0.29 -0.15 0.00 -1.11 0.00 0.00 56.01 55.16 1ysi n LEU 178 Cb 0.53 0.05 -0.08 0.00 0.53 0.00 0.00 43.42 44.45 1ysi n LEU 178 CO 0.34 0.04 0.71 -1.13 -1.11 0.00 0.00 177.39 176.24 1ysi h ASN 179 N 0.00 -0.57 0.00 1.96 -1.24 0.13 -3.24 115.58 112.62 1ysi h ASN 179 Ca -0.11 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.93 1ysi h ASN 179 Cb 1.36 0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.58 1ysi h ASN 179 CO 0.02 -0.37 -0.16 0.47 -1.29 0.00 0.00 177.43 176.10 1ysi n ASP 180 N -5.36 0.00 -0.96 1.15 9.92 -1.04 -4.62 116.55 115.64 1ysi n ASP 180 Ca -0.10 -1.32 -0.00 0.00 -0.53 0.00 0.00 54.79 52.83 1ysi n ASP 180 Cb 0.27 -0.06 0.20 0.00 -0.64 0.00 0.00 41.12 40.88 1ysi n ASP 180 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1ysi n HIS 181 N 0.00 0.73 0.00 1.24 -0.00 -0.45 -4.74 115.22 112.00 1ysi n HIS 181 Ca 0.00 -1.53 0.00 0.00 0.46 0.00 0.00 57.72 56.65 1ysi n HIS 181 Cb 0.56 -0.41 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 1ysi n HIS 181 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1ysi n LEU 182 N -1.11 0.00 -0.23 0.27 7.94 -0.92 -4.69 117.00 118.27 1ysi n LEU 182 Ca 0.28 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.17 1ysi n LEU 182 Cb 0.92 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.92 1ysi n LEU 182 CO 0.12 0.00 0.69 -0.08 -1.11 0.00 0.00 177.39 177.01 1ysi h GLU 183 N 0.00 -0.06 -0.99 1.96 4.81 -1.80 0.52 114.58 119.03 1ysi h GLU 183 Ca 0.00 0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.52 1ysi h GLU 183 Cb 0.00 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1ysi h GLU 183 CO 0.00 -0.04 0.84 -1.35 -0.73 0.00 0.00 179.01 177.73 1ysi h PRO 184 N -0.06 0.00 0.02 0.92 0.11 -1.90 0.36 132.00 131.46 1ysi h PRO 184 Ca 0.30 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.08 1ysi h PRO 184 Cb 0.53 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.58 1ysi h PRO 184 CO -0.71 0.00 -1.98 1.87 -0.21 0.00 0.00 178.00 176.97 1ysi n TRP 185 N -3.87 0.73 -0.17 0.65 -0.00 0.17 -2.95 117.44 111.99 1ysi n TRP 185 Ca 0.21 0.23 0.07 0.00 -0.00 0.00 0.00 57.50 58.01 1ysi n TRP 185 Cb 1.17 -1.12 0.36 0.00 -0.00 0.00 0.00 31.31 31.72 1ysi n TRP 185 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1ysi h ILE 186 N 0.01 1.02 0.15 5.87 2.04 0.11 -1.77 117.51 124.94 1ysi h ILE 186 Ca -0.40 -0.25 -0.34 0.00 1.00 0.00 0.00 64.86 64.87 1ysi h ILE 186 Cb 2.07 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1ysi h ILE 186 CO 0.06 0.13 -1.73 1.56 0.00 0.00 0.00 178.15 178.17 1ysi h GLN 187 N 0.73 0.32 -0.58 2.37 4.20 -1.53 0.83 115.11 121.45 1ysi h GLN 187 Ca 0.31 -0.55 0.14 0.00 0.06 0.00 0.00 58.65 58.60 1ysi h GLN 187 Cb 0.26 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 1ysi h GLN 187 CO -0.10 1.22 0.41 0.93 -0.67 0.00 0.00 178.83 180.61 1ysi h GLU 188 N 0.09 0.16 0.05 1.46 4.39 -1.33 -0.07 114.58 119.34 1ysi h GLU 188 Ca -0.33 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.10 1ysi h GLU 188 Cb 2.07 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.66 1ysi h GLU 188 CO 0.16 0.11 -1.33 -0.97 -1.16 0.00 0.00 179.01 175.81 1ysi h ASN 189 N 0.17 0.18 0.00 1.42 -0.73 -1.43 -3.47 115.58 111.71 1ysi h ASN 189 Ca 0.28 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1ysi h ASN 189 Cb 0.87 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.41 1ysi h ASN 189 CO -0.04 1.19 0.00 0.61 -0.37 0.00 0.00 177.43 178.82 1ysi n GLY 190 N 1.51 0.94 0.00 1.57 0.00 -0.04 -5.06 105.19 104.11 1ysi n GLY 190 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ysi n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ysi n GLY 191 N 0.00 2.52 0.37 -0.02 0.00 0.29 -4.56 105.19 103.78 1ysi n GLY 191 Ca 0.00 -2.06 0.09 0.00 0.00 0.00 0.00 46.02 44.04 1ysi n GLY 191 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1ysi h TRP 192 N 0.00 0.95 -0.83 1.61 4.06 -1.98 0.15 115.95 119.91 1ysi h TRP 192 Ca 0.00 0.03 0.19 0.00 2.06 0.00 0.00 58.89 61.17 1ysi h TRP 192 Cb 0.00 -0.30 -0.06 0.00 -1.00 0.00 0.00 29.16 27.80 1ysi h TRP 192 CO 0.00 0.40 0.56 -0.44 -3.56 0.00 0.00 178.44 175.40 1ysi h ASP 193 N 0.85 0.32 0.13 -3.49 3.32 -1.95 0.15 116.42 115.75 1ysi h ASP 193 Ca 0.44 0.03 -0.28 0.00 0.02 0.00 0.00 57.03 57.24 1ysi h ASP 193 Cb 0.51 -0.03 0.03 0.00 0.22 0.00 0.00 39.33 40.06 1ysi h ASP 193 CO -0.20 0.14 -1.17 0.74 -1.72 0.00 0.00 179.24 177.03 1ysi h THR 194 N 0.33 1.32 -0.37 0.35 2.02 -0.96 -0.04 112.91 115.56 1ysi h THR 194 Ca 0.42 -2.45 0.11 0.00 0.77 0.00 0.00 66.41 65.26 1ysi h THR 194 Cb 1.14 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 70.31 1ysi h THR 194 CO -0.13 0.74 0.44 0.15 0.37 0.00 0.00 175.52 177.09 1ysi h PHE 195 N 0.16 0.00 0.00 3.16 3.57 -0.06 0.39 116.94 124.17 1ysi h PHE 195 Ca -0.18 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.15 1ysi h PHE 195 Cb 1.86 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.58 1ysi h PHE 195 CO 0.13 0.00 -1.47 0.28 -2.23 0.00 0.00 178.31 175.02 1ysi n VAL 196 N -3.62 1.37 0.12 1.41 0.31 -0.80 -3.62 118.33 113.51 1ysi n VAL 196 Ca 0.06 -0.04 0.18 0.00 -0.01 0.00 0.00 64.34 64.54 1ysi n VAL 196 Cb 0.60 -2.04 0.76 0.00 -0.91 0.00 0.00 33.84 32.25 1ysi n VAL 196 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1ysi h GLU 197 N -0.83 0.00 0.02 5.55 5.08 -0.87 0.87 114.58 124.40 1ysi h GLU 197 Ca -0.26 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1ysi h GLU 197 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ysi h GLU 197 CO -0.16 0.00 -0.01 1.25 -1.00 0.00 0.00 179.01 179.09 1ysi h LEU 198 N 0.00 -0.02 0.00 1.33 6.46 -0.41 -3.44 115.31 119.23 1ysi h LEU 198 Ca 0.16 -0.73 -0.11 0.00 -0.12 0.00 0.00 57.88 57.07 1ysi h LEU 198 Cb 0.76 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 1ysi h LEU 198 CO -0.00 0.80 -1.12 -1.22 -0.62 0.00 0.00 178.44 176.28 1ysi n TYR 199 N -4.69 0.00 -1.55 1.25 4.01 -0.86 -4.88 117.16 110.44 1ysi n TYR 199 Ca -0.08 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.43 1ysi n TYR 199 Cb 0.36 -0.32 -0.08 0.00 -0.31 0.00 0.00 39.34 39.00 1ysi n TYR 199 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ysi n GLY 200 N 2.46 -0.09 3.73 2.72 0.00 0.30 -4.89 105.19 109.40 1ysi n GLY 200 Ca -0.15 0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 1ysi n GLY 200 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ysi s ASN 201 N 10.24 4.44 -0.35 1.61 0.02 -1.25 -3.92 114.94 125.72 1ysi s ASN 201 Ca 1.01 2.52 0.14 0.00 -1.02 0.00 0.00 52.86 55.51 1ysi s ASN 201 Cb -0.28 -2.61 0.40 0.00 0.02 0.00 0.00 41.25 38.78 1ysi s ASN 201 CO 0.21 -2.11 0.89 0.59 0.02 0.00 0.00 177.10 176.70 1ysi n ASN 202 N -2.23 0.78 -1.91 -1.22 3.02 -1.26 -4.92 115.26 107.53 1ysi n ASN 202 Ca 0.15 -2.88 -0.16 0.00 -0.03 0.00 0.00 54.58 51.66 1ysi n ASN 202 Cb 0.49 -0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 1ysi n ASN 202 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ysi n ALA 203 N 0.08 -0.46 0.03 5.41 0.00 -1.26 -4.80 120.51 119.51 1ysi n ALA 203 Ca 0.15 0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.80 1ysi n ALA 203 Cb 0.75 -1.69 -0.08 0.00 0.00 0.00 0.00 19.45 18.42 1ysi n ALA 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ysi n ALA 204 N -0.57 2.04 -0.25 0.00 0.00 -1.26 -4.14 120.51 116.33 1ysi n ALA 204 Ca -0.17 -0.55 0.02 0.00 0.00 0.00 0.00 53.44 52.74 1ysi n ALA 204 Cb 0.58 -0.91 0.15 0.00 0.00 0.00 0.00 19.45 19.26 1ysi n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ysi h ALA 205 N 1.51 1.00 -3.49 0.00 0.00 -2.00 -3.45 119.26 112.82 1ysi h ALA 205 Ca -0.16 0.07 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 1ysi h ALA 205 Cb 1.52 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1ysi h ALA 205 CO 0.04 -0.09 -0.40 0.39 0.00 0.00 0.00 179.25 179.18 1ysi n GLU 206 N -4.90 -2.01 -0.03 0.00 -0.58 -1.26 -4.79 120.64 107.07 1ysi n GLU 206 Ca 0.12 0.76 -0.03 0.00 -0.42 0.00 0.00 57.16 57.59 1ysi n GLU 206 Cb 0.31 -5.39 -0.05 0.00 -0.57 0.00 0.00 31.44 25.74 1ysi n GLU 206 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ysi n SER 207 N -1.88 3.48 0.00 1.62 2.88 -1.26 -5.01 113.62 113.44 1ysi n SER 207 Ca -0.19 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1ysi n SER 207 Cb 0.64 0.59 0.00 0.00 -0.75 0.00 0.00 64.21 64.69 1ysi n SER 207 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ysi n ARG 208 N -2.27 0.00 0.00 -1.46 3.00 -1.26 -4.29 116.66 110.38 1ysi n ARG 208 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.74 1ysi n ARG 208 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.16 1ysi n ARG 208 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ysi n LYS 209 N 0.00 0.00 0.00 5.56 4.76 -1.26 -4.81 118.16 122.41 1ysi n LYS 209 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ysi n LYS 209 Cb 0.00 -0.10 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 1ysi n LYS 209 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ysi n GLY 210 N 0.00 2.30 0.00 0.72 0.00 -1.26 -4.91 105.19 102.03 1ysi n GLY 210 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1ysi n GLY 210 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ysi n GLN 211 N 0.00 0.00 -3.19 1.61 1.13 -1.26 -3.67 117.38 111.99 1ysi n GLN 211 Ca 0.00 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.91 1ysi n GLN 211 Cb 0.00 -0.51 0.01 0.00 0.11 0.00 0.00 30.24 29.86 1ysi n GLN 211 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1ysi n GLU 212 N -0.01 -1.87 0.00 -1.09 2.13 -1.26 0.93 120.64 119.47 1ysi n GLU 212 Ca 0.00 1.60 0.00 0.00 0.66 0.00 0.00 57.16 59.42 1ysi n GLU 212 Cb 0.00 -4.42 0.00 0.00 0.27 0.00 0.00 31.44 27.29 1ysi n GLU 212 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1ysi n ARG 213 N -1.04 0.00 -1.29 5.31 0.63 -1.26 -2.54 116.66 116.46 1ysi n ARG 213 Ca -0.03 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.86 1ysi n ARG 213 Cb 0.55 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.45 1ysi n ARG 213 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1ysi n LEU 214 N 0.00 -0.84 -2.75 6.15 -0.00 -1.18 -4.97 117.00 113.41 1ysi n LEU 214 Ca 0.00 -1.80 -0.09 0.00 -0.00 0.00 0.00 56.01 54.11 1ysi n LEU 214 Cb 0.00 0.09 -0.01 0.00 -0.00 0.00 0.00 43.42 43.50 1ysi n LEU 214 CO 0.00 1.32 -0.06 -1.84 -0.00 0.00 0.00 177.39 176.81 1ysi n GLU 215 N -0.32 -2.65 -2.03 1.47 0.28 0.26 -4.83 120.64 112.82 1ysi n GLU 215 Ca -0.19 0.21 -0.03 0.00 -0.16 0.00 0.00 57.16 57.00 1ysi n GLU 215 Cb 0.64 -4.77 -0.00 0.00 1.43 0.00 0.00 31.44 28.74 1ysi n GLU 215 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1ysi n HIS 216 N -3.01 -0.78 -1.70 -1.84 -0.00 -1.26 -5.06 115.22 101.57 1ysi n HIS 216 Ca -0.03 -0.52 0.06 0.00 0.46 0.00 0.00 57.72 57.69 1ysi n HIS 216 Cb 0.53 0.14 0.11 0.00 -0.12 0.00 0.00 29.99 30.64 1ysi n HIS 216 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1ysi n HIS 217 N -0.13 0.00 -3.82 1.57 8.25 -1.26 -4.98 115.22 114.85 1ysi n HIS 217 Ca -0.00 -0.82 -0.27 0.00 -0.26 0.00 0.00 57.72 56.37 1ysi n HIS 217 Cb 0.13 -0.16 0.03 0.00 1.12 0.00 0.00 29.99 31.12 1ysi n HIS 217 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ysi n HIS 218 N -0.66 -2.18 0.00 4.41 -0.00 -1.26 -4.80 115.22 110.73 1ysi n HIS 218 Ca 0.11 0.89 0.21 0.00 0.46 0.00 0.00 57.72 59.39 1ysi n HIS 218 Cb 0.77 -4.19 0.71 0.00 -0.12 0.00 0.00 29.99 27.16 1ysi n HIS 218 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1ysi h HIS 219 N -2.04 0.00 -1.76 1.57 6.17 -2.03 -3.37 115.15 113.69 1ysi h HIS 219 Ca -0.59 0.00 -0.48 0.00 0.71 0.00 0.00 60.37 60.00 1ysi h HIS 219 Cb 1.37 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 31.30 1ysi h HIS 219 CO 0.53 0.00 1.55 -1.58 0.71 0.00 0.00 177.93 179.14 1ysi s HIS 220 N -4.94 1.23 -0.92 5.26 5.04 -1.26 -5.32 115.29 114.38 1ysi s HIS 220 Ca -0.05 1.29 0.07 0.00 -1.54 0.00 0.00 55.06 54.84 1ysi s HIS 220 Cb 0.19 -3.73 0.06 0.00 0.04 0.00 0.00 32.58 29.14 1ysi s HIS 220 CO 0.70 -2.63 0.73 0.72 -2.34 0.00 0.00 174.74 171.93