#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyz s THR 3 N 0.00 4.51 0.28 6.31 -1.32 -1.26 -4.54 115.64 119.61 1wyz s THR 3 Ca 0.00 -0.96 -0.19 0.00 -1.21 0.00 0.00 61.69 59.33 1wyz s THR 3 Cb 0.00 -4.74 0.06 0.00 -1.51 0.00 0.00 72.50 66.32 1wyz s THR 3 CO 0.00 -1.49 0.91 0.00 -2.21 0.00 0.00 174.62 171.83 1wyz s ALA 4 N 3.43 -1.20 -0.41 11.08 0.00 -1.26 -4.76 121.76 128.64 1wyz s ALA 4 Ca 0.28 -0.51 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 1wyz s ALA 4 Cb -0.11 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.75 1wyz s ALA 4 CO 0.00 -1.03 0.36 -1.17 0.00 0.00 0.00 175.76 173.93 1wyz s LEU 5 N -3.22 4.96 -0.07 0.00 2.96 0.13 -4.62 118.68 118.82 1wyz s LEU 5 Ca 0.18 -0.76 -0.22 0.00 -0.22 0.00 0.00 54.13 53.12 1wyz s LEU 5 Cb -0.04 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 1wyz s LEU 5 CO 0.08 -0.50 0.62 -0.31 -1.32 0.00 0.00 176.35 174.92 1wyz s TYR 6 N 1.90 3.58 -0.46 5.38 1.51 -1.26 -1.39 117.35 126.61 1wyz s TYR 6 Ca 0.08 1.15 -0.17 0.00 -1.01 0.00 0.00 57.07 57.12 1wyz s TYR 6 Cb -0.18 -2.70 0.04 0.00 -0.11 0.00 0.00 41.96 39.01 1wyz s TYR 6 CO 0.12 0.16 0.48 -0.51 -1.11 0.00 0.00 175.55 174.68 1wyz s LEU 7 N 0.57 5.07 -0.44 -1.29 1.02 -0.95 0.05 118.68 122.71 1wyz s LEU 7 Ca 0.33 -0.89 -0.11 0.00 0.02 0.00 0.00 54.13 53.48 1wyz s LEU 7 Cb -0.17 -2.36 0.09 0.00 0.02 0.00 0.00 46.19 43.77 1wyz s LEU 7 CO 0.16 -0.68 0.31 -0.76 0.02 0.00 0.00 176.35 175.40 1wyz s LEU 8 N 2.16 5.38 1.07 1.79 1.43 -0.31 -2.18 118.68 128.03 1wyz s LEU 8 Ca 0.11 -1.54 -0.13 0.00 -1.03 0.00 0.00 54.13 51.54 1wyz s LEU 8 Cb -0.19 -2.04 0.23 0.00 0.03 0.00 0.00 46.19 44.22 1wyz s LEU 8 CO 0.11 -0.60 1.06 -2.16 0.23 0.00 0.00 176.35 175.00 1wyz s PRO 9 N 1.47 -0.19 0.18 1.29 0.04 -1.26 -4.29 135.00 132.24 1wyz s PRO 9 Ca 0.04 0.65 0.01 0.00 0.04 0.00 0.00 61.00 61.74 1wyz s PRO 9 Cb -0.24 -1.65 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 1wyz s PRO 9 CO 0.03 -3.18 0.04 1.33 0.04 0.00 0.00 177.00 175.25 1wyz n VAL 10 N -4.51 0.00 -2.37 -0.36 0.24 -1.26 -4.98 118.33 105.09 1wyz n VAL 10 Ca 0.04 -0.99 -0.33 0.00 -2.04 0.00 0.00 64.34 61.03 1wyz n VAL 10 Cb 0.56 0.30 -0.02 0.00 -1.47 0.00 0.00 33.84 33.20 1wyz n VAL 10 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1wyz s THR 11 N -2.02 4.05 -0.07 3.34 -4.23 -1.26 -4.46 115.64 110.98 1wyz s THR 11 Ca 0.05 1.10 0.17 0.00 -1.18 0.00 0.00 61.69 61.83 1wyz s THR 11 Cb 0.00 -3.51 0.11 0.00 1.34 0.00 0.00 72.50 70.44 1wyz s THR 11 CO 0.04 -0.45 1.55 -0.07 -0.54 0.00 0.00 174.62 175.15 1wyz h LEU 12 N 1.06 0.00 0.00 4.79 4.07 -1.89 -3.48 115.31 119.86 1wyz h LEU 12 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.48 1wyz h LEU 12 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1wyz h LEU 12 CO 0.59 0.43 0.00 0.61 -1.08 0.00 0.00 178.44 178.99 1wyz n GLY 13 N 0.92 2.82 3.57 0.83 0.00 -1.26 -5.04 105.19 107.03 1wyz n GLY 13 Ca 0.01 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1wyz n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wyz s ASP 14 N 2.00 6.07 -0.06 1.61 2.15 -1.26 -4.93 116.67 122.25 1wyz s ASP 14 Ca 0.00 0.20 -0.13 0.00 0.43 0.00 0.00 52.55 53.05 1wyz s ASP 14 Cb 0.00 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.10 1wyz s ASP 14 CO 0.00 -1.77 0.30 0.42 -0.17 0.00 0.00 175.17 173.95 1wyz s THR 15 N 6.22 0.04 0.40 1.71 -4.23 -1.26 -4.73 115.64 113.78 1wyz s THR 15 Ca 0.51 -0.29 -0.27 0.00 -1.18 0.00 0.00 61.69 60.46 1wyz s THR 15 Cb -0.11 -0.53 -0.10 0.00 1.34 0.00 0.00 72.50 73.10 1wyz s THR 15 CO 0.23 -0.16 1.42 -2.16 -0.54 0.00 0.00 174.62 173.41 1wyz s PRO 16 N -0.70 3.99 0.31 3.99 0.04 -1.26 -4.89 135.00 136.47 1wyz s PRO 16 Ca -0.08 2.42 0.02 0.00 0.04 0.00 0.00 61.00 63.40 1wyz s PRO 16 Cb -0.04 -2.85 0.58 0.00 0.04 0.00 0.00 34.50 32.23 1wyz s PRO 16 CO 0.02 -0.57 1.90 -0.07 0.04 0.00 0.00 177.00 178.32 1wyz h LEU 17 N 2.79 0.86 0.00 -3.56 4.07 -1.96 -2.34 115.31 115.17 1wyz h LEU 17 Ca -0.50 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1wyz h LEU 17 Cb 1.25 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1wyz h LEU 17 CO 0.63 0.54 0.00 -1.84 -1.08 0.00 0.00 178.44 176.69 1wyz n GLU 18 N -4.51 0.52 0.04 1.13 0.00 -1.26 -0.60 120.64 115.96 1wyz n GLU 18 Ca 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 57.16 57.21 1wyz n GLU 18 Cb 0.25 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.05 1wyz n GLU 18 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1wyz h GLN 19 N 0.00 0.07 0.00 3.44 4.15 -1.78 -3.40 115.11 117.58 1wyz h GLN 19 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1wyz h GLN 19 Cb 0.01 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1wyz h GLN 19 CO 0.00 0.89 0.00 1.33 -1.93 0.00 0.00 178.83 179.12 1wyz n VAL 20 N -3.30 0.00 -4.88 2.39 0.24 -1.03 -5.05 118.33 106.70 1wyz n VAL 20 Ca -0.09 -0.26 -0.33 0.00 -2.04 0.00 0.00 64.34 61.62 1wyz n VAL 20 Cb 1.00 1.12 -0.14 0.00 -1.47 0.00 0.00 33.84 34.34 1wyz n VAL 20 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1wyz s LEU 21 N -0.79 2.61 0.29 1.34 1.43 0.23 -3.89 118.68 119.90 1wyz s LEU 21 Ca 0.00 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 1wyz s LEU 21 Cb 0.00 -1.56 -0.10 0.00 0.03 0.00 0.00 46.19 44.56 1wyz s LEU 21 CO 0.00 0.21 1.22 -2.84 0.23 0.00 0.00 176.35 175.17 1wyz s PRO 22 N 0.07 4.48 0.58 1.29 0.02 -1.26 -4.50 135.00 135.68 1wyz s PRO 22 Ca -0.06 2.02 0.28 0.00 0.02 0.00 0.00 61.00 63.25 1wyz s PRO 22 Cb -0.15 -3.14 1.57 0.00 0.02 0.00 0.00 34.50 32.80 1wyz s PRO 22 CO 0.05 -0.02 2.03 0.66 -0.33 0.00 0.00 177.00 179.39 1wyz h SER 23 N 3.83 0.00 -0.39 2.53 4.64 -1.95 0.02 113.55 122.23 1wyz h SER 23 Ca -0.47 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.96 1wyz h SER 23 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1wyz h SER 23 CO 0.67 0.00 0.28 0.22 -0.87 0.00 0.00 176.83 177.14 1wyz h TYR 24 N 0.00 0.00 -0.29 4.77 3.20 -2.01 0.27 116.97 122.91 1wyz h TYR 24 Ca 0.14 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 1wyz h TYR 24 Cb 0.73 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1wyz h TYR 24 CO 0.00 0.00 -0.24 -0.91 -1.64 0.00 0.00 178.16 175.37 1wyz h ASN 25 N 0.00 0.57 -0.45 -2.11 4.21 -1.35 -2.74 115.58 113.71 1wyz h ASN 25 Ca 0.19 -0.20 -0.02 0.00 1.21 0.00 0.00 56.30 57.48 1wyz h ASN 25 Cb 0.75 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.78 1wyz h ASN 25 CO -0.00 0.80 0.20 0.74 -1.29 0.00 0.00 177.43 177.89 1wyz h THR 26 N 0.50 1.19 -0.32 2.81 2.02 -0.59 -2.58 112.91 115.93 1wyz h THR 26 Ca 0.07 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.72 1wyz h THR 26 Cb 0.69 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1wyz h THR 26 CO 0.05 0.21 0.14 -0.33 0.37 0.00 0.00 175.52 175.96 1wyz h GLU 27 N 0.58 0.29 -0.02 6.66 5.08 -1.20 -2.76 114.58 123.20 1wyz h GLU 27 Ca 0.15 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 1wyz h GLU 27 Cb 0.14 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1wyz h GLU 27 CO -0.02 0.19 -0.68 -0.84 -1.00 0.00 0.00 179.01 176.66 1wyz h ILE 28 N 0.30 1.45 0.00 3.13 -0.00 -1.46 -2.83 117.51 118.10 1wyz h ILE 28 Ca 0.14 -2.24 -0.02 0.00 -0.00 0.00 0.00 64.86 62.74 1wyz h ILE 28 Cb 0.08 2.20 -0.00 0.00 -0.00 0.00 0.00 36.82 39.09 1wyz h ILE 28 CO -0.12 0.65 -0.09 0.40 -0.00 0.00 0.00 178.15 178.99 1wyz h ILE 29 N 0.08 0.77 -0.34 0.16 2.04 -1.32 0.47 117.51 119.37 1wyz h ILE 29 Ca -0.01 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 1wyz h ILE 29 Cb 1.21 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 1wyz h ILE 29 CO 0.10 0.09 -0.07 0.03 0.00 0.00 0.00 178.15 178.30 1wyz h ARG 30 N 0.00 0.56 -0.88 2.37 3.08 -1.23 -2.58 114.38 115.70 1wyz h ARG 30 Ca -0.00 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 1wyz h ARG 30 Cb 0.19 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 1wyz h ARG 30 CO 0.01 0.63 0.10 0.41 -1.07 0.00 0.00 179.97 180.05 1wyz n GLY 31 N -0.70 2.48 3.05 0.04 0.00 0.15 -4.84 105.19 105.37 1wyz n GLY 31 Ca 0.01 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 1wyz n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wyz s ILE 32 N -1.66 1.18 0.00 -0.61 1.01 -0.97 -4.64 121.20 115.50 1wyz s ILE 32 Ca 0.24 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1wyz s ILE 32 Cb 0.19 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.61 1wyz s ILE 32 CO 0.06 0.36 0.43 0.54 0.00 0.00 0.00 174.94 176.33 1wyz n ARG 33 N 3.60 -0.04 -3.96 2.79 5.12 -1.26 -4.97 116.66 117.94 1wyz n ARG 33 Ca -0.21 -0.43 -0.29 0.00 -1.93 0.00 0.00 57.85 54.98 1wyz n ARG 33 Cb 0.52 -0.93 -0.16 0.00 -1.16 0.00 0.00 32.46 30.73 1wyz n ARG 33 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1wyz s HIS 34 N -0.12 2.04 -0.03 -1.55 3.76 -1.26 0.21 115.29 118.35 1wyz s HIS 34 Ca 0.00 -1.27 0.07 0.00 -0.15 0.00 0.00 55.06 53.71 1wyz s HIS 34 Cb 0.00 -1.49 -0.02 0.00 1.11 0.00 0.00 32.58 32.19 1wyz s HIS 34 CO 0.00 -0.66 -0.24 -0.06 -0.85 0.00 0.00 174.74 172.92 1wyz s PHE 35 N 1.52 2.25 -0.42 1.40 0.40 -0.18 -1.76 117.98 121.19 1wyz s PHE 35 Ca 0.01 -0.52 -0.12 0.00 -0.60 0.00 0.00 56.93 55.70 1wyz s PHE 35 Cb -0.15 -1.46 0.06 0.00 0.51 0.00 0.00 43.02 41.98 1wyz s PHE 35 CO -0.09 -0.10 0.29 0.42 0.70 0.00 0.00 175.22 176.44 1wyz s ILE 36 N -0.41 4.74 0.17 0.64 -1.09 0.13 -0.30 121.20 125.09 1wyz s ILE 36 Ca 0.04 -1.06 0.10 0.00 -2.23 0.00 0.00 60.65 57.51 1wyz s ILE 36 Cb -0.11 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1wyz s ILE 36 CO 0.01 -0.43 -0.22 0.68 -1.23 0.00 0.00 174.94 173.75 1wyz s VAL 37 N 1.56 2.11 0.01 2.92 -7.23 -0.73 -2.04 120.40 116.99 1wyz s VAL 37 Ca 0.03 -1.93 -0.18 0.00 -1.81 0.00 0.00 61.98 58.10 1wyz s VAL 37 Cb -0.22 -1.97 -0.30 0.00 0.56 0.00 0.00 36.38 34.46 1wyz s VAL 37 CO 0.06 -0.16 1.03 -0.08 -0.31 0.00 0.00 175.10 175.63 1wyz h GLU 38 N 3.35 0.49 -3.54 4.82 4.81 -1.84 -2.82 114.58 119.85 1wyz h GLU 38 Ca -0.45 -0.71 -0.52 0.00 -0.13 0.00 0.00 59.36 57.55 1wyz h GLU 38 Cb 1.20 0.24 -0.40 0.00 0.63 0.00 0.00 28.75 30.43 1wyz h GLU 38 CO 0.47 1.31 -0.76 0.34 -0.73 0.00 0.00 179.01 179.65 1wyz s ASP 39 N -7.23 3.00 0.43 1.04 2.15 -1.26 -4.37 116.67 110.43 1wyz s ASP 39 Ca -0.11 -0.88 0.12 0.00 0.43 0.00 0.00 52.55 52.11 1wyz s ASP 39 Cb 0.04 -0.61 1.00 0.00 -0.30 0.00 0.00 42.92 43.05 1wyz s ASP 39 CO 0.89 -0.31 2.01 1.62 -0.17 0.00 0.00 175.17 179.21 1wyz h VAL 40 N 6.51 0.95 0.79 1.11 3.04 -1.98 -2.71 116.25 123.97 1wyz h VAL 40 Ca -0.16 -0.14 -0.04 0.00 -1.01 0.00 0.00 66.70 65.35 1wyz h VAL 40 Cb 1.11 0.49 0.01 0.00 -2.01 0.00 0.00 31.29 30.89 1wyz h VAL 40 CO 0.35 0.08 -0.38 0.03 -1.01 0.00 0.00 177.57 176.64 1wyz h ARG 41 N 0.42 -1.02 -0.34 4.17 3.08 -2.00 -2.47 114.38 116.23 1wyz h ARG 41 Ca 0.23 0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 1wyz h ARG 41 Cb 0.37 0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1wyz h ARG 41 CO -0.06 -0.67 0.02 0.66 -1.07 0.00 0.00 179.97 178.84 1wyz h SER 42 N -1.09 0.48 -0.30 7.04 4.64 -1.98 -2.58 113.55 119.78 1wyz h SER 42 Ca -0.11 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.02 1wyz h SER 42 Cb 0.82 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1wyz h SER 42 CO 0.18 0.54 -0.18 0.00 -0.87 0.00 0.00 176.83 176.50 1wyz h ALA 43 N 1.52 0.94 -0.38 5.18 0.00 -1.49 -1.24 119.26 123.79 1wyz h ALA 43 Ca 0.11 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1wyz h ALA 43 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1wyz h ALA 43 CO 0.01 0.61 0.25 -0.09 0.00 0.00 0.00 179.25 180.03 1wyz h ARG 44 N 0.67 0.49 0.00 0.00 2.43 -1.05 0.88 114.38 117.80 1wyz h ARG 44 Ca 0.10 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1wyz h ARG 44 Cb 0.67 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1wyz h ARG 44 CO 0.05 0.32 -0.42 0.07 -1.51 0.00 0.00 179.97 178.48 1wyz h ARG 45 N 0.50 0.00 0.35 0.20 0.11 -1.38 -2.41 114.38 111.75 1wyz h ARG 45 Ca 0.14 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.21 1wyz h ARG 45 Cb -0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.04 1wyz h ARG 45 CO -0.04 0.42 -0.17 0.35 0.10 0.00 0.00 179.97 180.63 1wyz h PHE 46 N 0.00 -0.43 -0.24 4.08 3.57 -0.44 -2.23 116.94 121.25 1wyz h PHE 46 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.55 1wyz h PHE 46 Cb 1.09 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1wyz h PHE 46 CO 0.00 -0.10 0.17 -0.07 -2.23 0.00 0.00 178.31 176.08 1wyz h LEU 47 N -0.82 0.02 -1.54 0.59 3.38 -0.89 0.34 115.31 116.39 1wyz h LEU 47 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1wyz h LEU 47 Cb 0.52 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1wyz h LEU 47 CO 0.08 0.01 -0.12 0.11 0.09 0.00 0.00 178.44 178.61 1wyz h LYS 48 N 0.03 0.00 0.00 1.13 1.79 -1.16 -2.69 116.57 115.67 1wyz h LYS 48 Ca 0.11 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.42 1wyz h LYS 48 Cb 0.42 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 1wyz h LYS 48 CO -0.00 0.12 -1.73 1.17 -1.08 0.00 0.00 179.45 177.93 1wyz n LYS 49 N -3.35 0.64 0.08 3.15 4.81 0.11 -3.42 118.16 120.18 1wyz n LYS 49 Ca -0.00 0.07 -0.06 0.00 -0.87 0.00 0.00 58.31 57.44 1wyz n LYS 49 Cb 0.32 -1.68 0.09 0.00 0.02 0.00 0.00 35.03 33.78 1wyz n LYS 49 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1wyz h VAL 50 N 0.00 1.40 -0.92 3.15 3.04 -1.07 -3.44 116.25 118.41 1wyz h VAL 50 Ca -0.20 -2.09 0.17 0.00 -1.01 0.00 0.00 66.70 63.58 1wyz h VAL 50 Cb 1.55 2.07 -0.23 0.00 -2.01 0.00 0.00 31.29 32.68 1wyz h VAL 50 CO 0.03 0.62 0.13 -0.62 -1.01 0.00 0.00 177.57 176.71 1wyz s ASP 51 N -6.91 -0.68 0.47 3.17 2.15 -1.03 -4.95 116.67 108.90 1wyz s ASP 51 Ca -0.04 0.74 0.27 0.00 0.43 0.00 0.00 52.55 53.95 1wyz s ASP 51 Cb 0.11 1.70 0.96 0.00 -0.30 0.00 0.00 42.92 45.39 1wyz s ASP 51 CO 0.81 -0.13 1.83 0.03 -0.17 0.00 0.00 175.17 177.54 1wyz h ARG 52 N 7.70 0.00 0.00 4.34 -0.00 -1.79 -3.15 114.38 121.48 1wyz h ARG 52 Ca -0.16 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.27 1wyz h ARG 52 Cb 1.13 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.09 1wyz h ARG 52 CO 0.06 0.12 -0.24 1.49 0.00 0.00 0.00 179.97 181.41 1wyz h GLU 53 N 0.00 0.00 -6.77 0.04 4.57 -1.93 -3.44 114.58 107.05 1wyz h GLU 53 Ca -0.00 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 1wyz h GLU 53 Cb 0.73 0.00 0.08 0.00 -0.16 0.00 0.00 28.75 29.40 1wyz h GLU 53 CO 0.02 0.24 0.87 -0.89 -1.18 0.00 0.00 179.01 178.06 1wyz n ILE 54 N -4.13 0.96 -2.96 2.32 5.41 -1.19 -4.92 119.36 114.84 1wyz n ILE 54 Ca -0.02 -0.24 -0.44 0.00 1.00 0.00 0.00 62.75 63.05 1wyz n ILE 54 Cb 0.30 -1.92 -0.01 0.00 -0.71 0.00 0.00 39.64 37.29 1wyz n ILE 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1wyz s ASP 55 N 0.52 6.82 0.21 4.38 -1.08 -1.26 -4.87 116.67 121.39 1wyz s ASP 55 Ca 0.65 -2.48 0.09 0.00 -0.52 0.00 0.00 52.55 50.30 1wyz s ASP 55 Cb -0.51 -2.39 0.51 0.00 -1.46 0.00 0.00 42.92 39.07 1wyz s ASP 55 CO 0.48 -0.90 1.16 0.00 0.52 0.00 0.00 175.17 176.43 1wyz n ILE 56 N 5.02 0.88 1.16 4.11 0.13 -1.26 0.11 119.36 129.50 1wyz n ILE 56 Ca 0.28 0.66 0.13 0.00 -1.10 0.00 0.00 62.75 62.72 1wyz n ILE 56 Cb 0.46 -1.66 0.43 0.00 -0.84 0.00 0.00 39.64 38.03 1wyz n ILE 56 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1wyz n ASP 57 N -1.82 0.52 -0.11 9.51 2.03 -1.26 -3.72 116.55 121.70 1wyz n ASP 57 Ca -0.01 -0.35 0.11 0.00 0.52 0.00 0.00 54.79 55.07 1wyz n ASP 57 Cb 0.25 0.02 0.13 0.00 -0.72 0.00 0.00 41.12 40.80 1wyz n ASP 57 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1wyz n SER 58 N -1.18 0.95 -4.73 1.67 7.64 0.30 -4.94 113.62 113.33 1wyz n SER 58 Ca 0.09 -0.76 -0.27 0.00 1.01 0.00 0.00 58.87 58.95 1wyz n SER 58 Cb 0.32 0.48 -0.07 0.00 -1.01 0.00 0.00 64.21 63.93 1wyz n SER 58 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1wyz s LEU 59 N -2.83 3.57 0.04 -3.43 -0.00 -1.24 -4.99 118.68 109.78 1wyz s LEU 59 Ca 0.14 -0.24 -0.18 0.00 -0.00 0.00 0.00 54.13 53.85 1wyz s LEU 59 Cb 0.17 -2.21 -0.06 0.00 -0.00 0.00 0.00 46.19 44.09 1wyz s LEU 59 CO 0.70 0.09 0.51 -0.89 -0.00 0.00 0.00 176.35 176.76 1wyz s THR 60 N -1.69 4.87 -0.08 5.48 2.01 0.13 -4.98 115.64 121.38 1wyz s THR 60 Ca 0.29 1.07 0.04 0.00 0.31 0.00 0.00 61.69 63.41 1wyz s THR 60 Cb -0.10 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 1wyz s THR 60 CO 0.21 0.55 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.11 1wyz s PHE 61 N -0.98 2.56 -0.31 4.92 0.08 -1.26 -1.01 117.98 121.98 1wyz s PHE 61 Ca 0.27 -0.72 0.04 0.00 0.12 0.00 0.00 56.93 56.64 1wyz s PHE 61 Cb -0.18 -1.67 0.09 0.00 -0.57 0.00 0.00 43.02 40.68 1wyz s PHE 61 CO 0.17 -0.21 -0.01 0.71 -0.10 0.00 0.00 175.22 175.77 1wyz s TYR 62 N -0.03 3.56 0.40 0.36 2.02 0.59 -4.98 117.35 119.28 1wyz s TYR 62 Ca -0.06 -2.74 -0.24 0.00 -0.37 0.00 0.00 57.07 53.65 1wyz s TYR 62 Cb -0.15 -2.55 -0.09 0.00 -0.40 0.00 0.00 41.96 38.78 1wyz s TYR 62 CO 0.05 -0.92 1.05 -2.14 -1.57 0.00 0.00 175.55 172.02 1wyz s PRO 63 N 0.98 4.15 0.02 -1.71 0.02 -1.26 -1.78 135.00 135.42 1wyz s PRO 63 Ca 0.04 1.51 -0.01 0.00 0.02 0.00 0.00 61.00 62.56 1wyz s PRO 63 Cb -0.19 -2.53 -0.02 0.00 0.02 0.00 0.00 34.50 31.78 1wyz s PRO 63 CO -0.07 -0.16 -0.01 -0.48 -0.33 0.00 0.00 177.00 175.95 1wyz s LEU 64 N -2.67 2.15 0.45 -5.54 2.34 -1.06 -4.95 118.68 109.40 1wyz s LEU 64 Ca 0.58 -0.43 0.07 0.00 0.06 0.00 0.00 54.13 54.41 1wyz s LEU 64 Cb -0.22 0.15 -0.00 0.00 -0.56 0.00 0.00 46.19 45.56 1wyz s LEU 64 CO 0.28 -0.28 0.42 0.20 -1.06 0.00 0.00 176.35 175.90 1wyz s ASN 65 N -1.34 5.01 0.33 1.48 -0.87 -1.26 -4.71 114.94 113.58 1wyz s ASN 65 Ca -0.15 -0.82 0.09 0.00 -1.57 0.00 0.00 52.86 50.42 1wyz s ASN 65 Cb -0.09 -0.35 0.85 0.00 -0.02 0.00 0.00 41.25 41.64 1wyz s ASN 65 CO -0.01 -0.79 1.77 0.50 -2.57 0.00 0.00 177.10 176.01 1wyz h LYS 66 N 0.90 0.63 -0.70 -0.60 3.64 -1.96 -3.23 116.57 115.25 1wyz h LYS 66 Ca -0.40 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 58.64 1wyz h LYS 66 Cb 1.27 -0.14 -0.34 0.00 -0.41 0.00 0.00 32.23 32.61 1wyz h LYS 66 CO 0.55 0.42 -1.00 0.72 -2.27 0.00 0.00 179.45 177.87 1wyz n HIS 67 N -4.75 0.38 -2.56 1.91 8.25 -1.26 -4.81 115.22 112.37 1wyz n HIS 67 Ca 0.24 -2.50 -0.40 0.00 -0.26 0.00 0.00 57.72 54.81 1wyz n HIS 67 Cb 0.66 0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.80 1wyz n HIS 67 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1wyz s THR 68 N -2.49 3.69 0.06 1.59 -1.32 -1.22 -4.92 115.64 111.02 1wyz s THR 68 Ca 0.25 1.63 -0.28 0.00 -1.21 0.00 0.00 61.69 62.09 1wyz s THR 68 Cb 0.43 -4.01 -0.15 0.00 -1.51 0.00 0.00 72.50 67.26 1wyz s THR 68 CO -0.00 0.34 0.68 -1.54 -2.21 0.00 0.00 174.62 171.88 1wyz n SER 69 N 1.07 -0.35 0.10 8.08 3.41 -1.26 -4.80 113.62 119.87 1wyz n SER 69 Ca -0.00 0.89 0.10 0.00 -0.26 0.00 0.00 58.87 59.60 1wyz n SER 69 Cb 0.46 -0.72 0.44 0.00 -0.26 0.00 0.00 64.21 64.12 1wyz n SER 69 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1wyz n PRO 70 N 1.03 0.13 0.24 4.33 -0.04 -1.26 -1.82 135.00 137.61 1wyz n PRO 70 Ca 0.15 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 64.15 1wyz n PRO 70 Cb 0.11 -1.78 0.48 0.00 -0.04 0.00 0.00 33.50 32.28 1wyz n PRO 70 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1wyz h GLU 71 N 0.00 0.00 0.00 0.54 4.11 -1.99 0.50 114.58 117.74 1wyz h GLU 71 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 1wyz h GLU 71 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1wyz h GLU 71 CO 0.00 0.12 -0.38 -0.44 0.07 0.00 0.00 179.01 178.38 1wyz h ASP 72 N 0.00 0.00 -0.92 3.06 3.32 -1.70 -2.99 116.42 117.20 1wyz h ASP 72 Ca -0.00 -0.84 0.07 0.00 0.02 0.00 0.00 57.03 56.28 1wyz h ASP 72 Cb 0.73 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.21 1wyz h ASP 72 CO 0.02 1.14 0.60 0.40 -1.72 0.00 0.00 179.24 179.67 1wyz h ILE 73 N -1.00 1.05 -0.40 0.35 5.03 -1.50 0.38 117.51 121.41 1wyz h ILE 73 Ca -0.11 -0.35 -0.10 0.00 -0.12 0.00 0.00 64.86 64.18 1wyz h ILE 73 Cb 1.08 -0.06 -0.02 0.00 -3.03 0.00 0.00 36.82 34.79 1wyz h ILE 73 CO -0.06 0.19 -0.17 0.77 -0.68 0.00 0.00 178.15 178.19 1wyz h SER 74 N 1.02 0.76 -0.53 1.72 4.64 -1.02 -1.99 113.55 118.17 1wyz h SER 74 Ca 0.40 -0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1wyz h SER 74 Cb 0.24 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1wyz h SER 74 CO -0.16 0.94 0.07 1.23 -0.87 0.00 0.00 176.83 178.04 1wyz h GLY 75 N 0.97 0.95 1.74 -0.77 0.00 -0.79 -2.20 103.07 102.97 1wyz h GLY 75 Ca 0.10 -0.64 0.04 0.00 0.00 0.00 0.00 47.33 46.83 1wyz h GLY 75 CO 0.05 0.59 0.09 -0.97 0.00 0.00 0.00 176.54 176.30 1wyz h TYR 76 N 0.76 0.00 -0.00 5.60 0.05 0.02 -1.06 116.97 122.34 1wyz h TYR 76 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1wyz h TYR 76 Cb 0.42 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 1wyz h TYR 76 CO 0.03 0.00 -0.04 1.28 -1.05 0.00 0.00 178.16 178.38 1wyz n LEU 77 N -4.50 0.36 -0.36 3.88 4.32 -0.78 -4.26 117.00 115.66 1wyz n LEU 77 Ca 0.00 -0.01 0.01 0.00 -0.02 0.00 0.00 56.01 56.00 1wyz n LEU 77 Cb 0.22 -0.12 0.17 0.00 -1.62 0.00 0.00 43.42 42.07 1wyz n LEU 77 CO 0.35 0.06 1.27 0.11 -1.22 0.00 0.00 177.39 177.96 1wyz h LYS 78 N 0.50 1.17 -0.72 3.23 6.56 -0.99 -1.19 116.57 125.13 1wyz h LYS 78 Ca 0.00 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.49 1wyz h LYS 78 Cb 0.24 -0.26 -0.03 0.00 -0.57 0.00 0.00 32.23 31.61 1wyz h LYS 78 CO 0.00 0.78 0.36 -1.35 -2.06 0.00 0.00 179.45 177.17 1wyz h PRO 79 N 1.21 1.04 -0.65 3.15 0.11 -1.80 -1.57 132.00 133.49 1wyz h PRO 79 Ca 0.40 -0.15 -0.04 0.00 0.11 0.00 0.00 66.00 66.32 1wyz h PRO 79 Cb 0.06 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 1wyz h PRO 79 CO -0.14 0.81 0.23 1.25 -0.21 0.00 0.00 178.00 179.95 1wyz h LEU 80 N 1.01 0.90 -5.05 2.35 5.85 -1.64 -1.87 115.31 116.87 1wyz h LEU 80 Ca 0.25 -0.14 -0.62 0.00 0.84 0.00 0.00 57.88 58.21 1wyz h LEU 80 Cb 0.11 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1wyz h LEU 80 CO -0.03 0.83 2.54 0.00 -0.34 0.00 0.00 178.44 181.43 1wyz n ALA 81 N -2.45 7.08 -0.42 1.25 0.00 -0.49 -2.58 120.51 122.91 1wyz n ALA 81 Ca 0.05 -3.46 0.00 0.00 0.00 0.00 0.00 53.44 50.04 1wyz n ALA 81 Cb 0.19 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.71 1wyz n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyz n GLY 82 N 2.58 0.36 0.00 0.00 0.00 -0.74 -4.89 105.19 102.51 1wyz n GLY 82 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1wyz n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wyz n GLY 83 N 0.00 2.22 3.82 -0.02 0.00 -1.06 -5.09 105.19 105.07 1wyz n GLY 83 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1wyz n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyz s ALA 84 N -2.01 2.65 0.49 4.61 0.00 -1.02 -4.66 121.76 121.82 1wyz s ALA 84 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.99 1wyz s ALA 84 Cb 0.00 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.99 1wyz s ALA 84 CO 0.00 -1.26 0.69 -1.12 0.00 0.00 0.00 175.76 174.07 1wyz s SER 85 N -3.86 5.51 -0.13 0.00 0.01 -1.26 -4.18 113.70 109.78 1wyz s SER 85 Ca 0.58 -0.05 -0.32 0.00 1.31 0.00 0.00 55.95 57.48 1wyz s SER 85 Cb -0.14 -0.98 0.13 0.00 0.21 0.00 0.00 66.02 65.24 1wyz s SER 85 CO 0.55 -0.93 1.08 -0.83 0.41 0.00 0.00 173.24 173.52 1wyz s GLY 87 N -4.35 -0.31 -0.01 3.44 0.00 -0.72 -4.12 107.32 101.24 1wyz s GLY 87 Ca 0.54 1.61 0.06 0.00 0.00 0.00 0.00 44.72 46.93 1wyz s GLY 87 CO 0.37 0.62 -0.21 0.14 0.00 0.00 0.00 173.10 174.02 1wyz s VAL 88 N -2.26 1.62 -0.29 1.40 1.01 0.11 0.19 120.40 122.18 1wyz s VAL 88 Ca 0.06 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 1wyz s VAL 88 Cb -0.01 -1.35 0.09 0.00 0.00 0.00 0.00 36.38 35.11 1wyz s VAL 88 CO -0.05 0.45 0.06 -0.63 0.00 0.00 0.00 175.10 174.93 1wyz s ILE 89 N -0.50 1.07 0.36 2.22 1.09 -0.87 -1.16 121.20 123.42 1wyz s ILE 89 Ca 0.08 -1.36 0.04 0.00 -1.10 0.00 0.00 60.65 58.30 1wyz s ILE 89 Cb -0.08 -1.71 -0.05 0.00 -1.06 0.00 0.00 42.46 39.56 1wyz s ILE 89 CO -0.01 -0.53 0.06 -0.44 -0.10 0.00 0.00 174.94 173.93 1wyz s SER 90 N 1.54 2.76 -0.86 3.58 0.01 -1.26 -3.54 113.70 115.93 1wyz s SER 90 Ca 0.06 -1.45 -0.03 0.00 1.31 0.00 0.00 55.95 55.85 1wyz s SER 90 Cb -0.18 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 1wyz s SER 90 CO -0.18 -0.66 0.78 -0.62 0.41 0.00 0.00 173.24 172.96 1wyz n GLU 91 N -0.80 -1.72 0.00 12.44 1.02 -1.26 -4.39 120.64 125.93 1wyz n GLU 91 Ca -0.04 1.17 0.00 0.00 -0.02 0.00 0.00 57.16 58.27 1wyz n GLU 91 Cb 0.66 -5.69 0.00 0.00 -0.02 0.00 0.00 31.44 26.40 1wyz n GLU 91 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wyz n ASP 99 N -2.43 0.00 0.01 1.62 9.92 -1.26 -4.86 116.55 119.54 1wyz n ASP 99 Ca -0.03 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.16 1wyz n ASP 99 Cb 0.56 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.91 1wyz n ASP 99 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1wyz h PRO 100 N 0.00 0.00 -0.86 -0.24 0.13 -1.87 -3.36 132.00 125.80 1wyz h PRO 100 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1wyz h PRO 100 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1wyz h PRO 100 CO 0.00 0.62 0.50 0.78 -0.23 0.00 0.00 178.00 179.67 1wyz h GLY 101 N 3.38 1.26 -0.22 1.56 0.00 -1.96 -3.04 103.07 104.05 1wyz h GLY 101 Ca -0.19 -0.54 0.09 0.00 0.00 0.00 0.00 47.33 46.69 1wyz h GLY 101 CO 0.09 0.52 -0.28 0.00 0.00 0.00 0.00 176.54 176.86 1wyz h ALA 102 N 1.36 -0.01 -0.43 3.60 0.00 -1.99 0.27 119.26 122.06 1wyz h ALA 102 Ca 0.31 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 1wyz h ALA 102 Cb -0.02 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1wyz h ALA 102 CO -0.05 -0.64 0.08 -0.44 0.00 0.00 0.00 179.25 178.20 1wyz h ASP 103 N -0.17 0.60 -0.41 0.00 3.32 -1.74 0.17 116.42 118.19 1wyz h ASP 103 Ca 0.21 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1wyz h ASP 103 Cb 0.52 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1wyz h ASP 103 CO -0.58 0.62 -0.06 0.58 -1.72 0.00 0.00 179.24 178.08 1wyz h VAL 104 N 0.63 1.27 -0.22 -1.35 2.07 -1.01 -0.17 116.25 117.47 1wyz h VAL 104 Ca 0.14 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 1wyz h VAL 104 Cb 0.27 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1wyz h VAL 104 CO 0.00 0.38 -0.15 0.58 0.02 0.00 0.00 177.57 178.41 1wyz h VAL 105 N 0.59 1.21 -0.14 2.57 2.07 -0.04 -2.24 116.25 120.27 1wyz h VAL 105 Ca 0.11 -0.96 -0.14 0.00 0.82 0.00 0.00 66.70 66.54 1wyz h VAL 105 Cb 0.57 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1wyz h VAL 105 CO 0.03 0.30 -0.50 0.00 0.02 0.00 0.00 177.57 177.43 1wyz h ALA 106 N 1.51 0.88 -0.20 1.67 0.00 -0.11 -0.85 119.26 122.16 1wyz h ALA 106 Ca 0.06 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 1wyz h ALA 106 Cb 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wyz h ALA 106 CO 0.03 0.67 -0.59 0.82 0.00 0.00 0.00 179.25 180.17 1wyz h ILE 107 N 0.30 1.31 -0.21 0.00 1.08 -0.70 -1.90 117.51 117.40 1wyz h ILE 107 Ca 0.01 -1.83 -0.05 0.00 -0.39 0.00 0.00 64.86 62.60 1wyz h ILE 107 Cb 0.99 1.79 -0.01 0.00 -3.07 0.00 0.00 36.82 36.52 1wyz h ILE 107 CO 0.09 0.58 -0.06 0.00 -0.69 0.00 0.00 178.15 178.06 1wyz h ALA 108 N 0.85 0.29 -0.78 1.87 0.00 -1.28 -1.37 119.26 118.84 1wyz h ALA 108 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1wyz h ALA 108 Cb 1.16 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1wyz h ALA 108 CO 0.12 0.08 0.52 1.96 0.00 0.00 0.00 179.25 181.93 1wyz h GLN 109 N 0.13 1.03 0.00 0.00 1.08 -1.15 0.50 115.11 116.70 1wyz h GLN 109 Ca 0.05 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1wyz h GLN 109 Cb 0.52 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1wyz h GLN 109 CO 0.02 0.68 -0.14 -0.09 -0.95 0.00 0.00 178.83 178.35 1wyz h ARG 110 N 1.06 0.00 -0.55 1.46 2.43 -0.86 -0.67 114.38 117.26 1wyz h ARG 110 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1wyz h ARG 110 Cb -0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1wyz h ARG 110 CO -0.06 0.14 0.00 1.04 -1.51 0.00 0.00 179.97 179.58 1wyz n GLN 111 N -4.04 3.69 -3.27 0.20 6.02 -0.10 -4.95 117.38 114.93 1wyz n GLN 111 Ca -0.02 -2.83 -0.23 0.00 -0.01 0.00 0.00 57.00 53.90 1wyz n GLN 111 Cb 0.23 -1.87 0.02 0.00 1.02 0.00 0.00 30.24 29.63 1wyz n GLN 111 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1wyz n LYS 112 N 0.73 -4.33 -3.17 -1.09 4.01 -0.19 -4.98 118.16 109.14 1wyz n LYS 112 Ca 0.24 0.68 -0.35 0.00 -0.51 0.00 0.00 58.31 58.37 1wyz n LYS 112 Cb 0.89 -5.47 -0.06 0.00 -0.51 0.00 0.00 35.03 29.87 1wyz n LYS 112 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1wyz s LEU 113 N -6.66 4.26 0.05 -0.35 1.43 -0.03 -5.00 118.68 112.39 1wyz s LEU 113 Ca 0.39 1.30 -0.31 0.00 -1.03 0.00 0.00 54.13 54.48 1wyz s LEU 113 Cb -0.19 -3.67 -0.06 0.00 0.03 0.00 0.00 46.19 42.29 1wyz s LEU 113 CO 0.48 -0.03 1.34 -0.75 0.23 0.00 0.00 176.35 177.63 1wyz s LYS 114 N -2.28 4.33 -0.14 1.70 2.47 -1.26 -4.49 119.74 120.06 1wyz s LYS 114 Ca 0.45 1.95 0.02 0.00 -1.56 0.00 0.00 55.97 56.83 1wyz s LYS 114 Cb -0.14 -3.40 0.01 0.00 -1.46 0.00 0.00 37.83 32.84 1wyz s LYS 114 CO 0.20 -0.45 -0.20 0.08 0.16 0.00 0.00 175.35 175.14 1wyz s VAL 115 N 1.62 1.92 -0.13 4.02 1.01 -1.26 0.21 120.40 127.79 1wyz s VAL 115 Ca 0.63 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1wyz s VAL 115 Cb -0.33 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1wyz s VAL 115 CO 0.28 0.52 -0.15 -0.51 0.00 0.00 0.00 175.10 175.24 1wyz s ILE 116 N 0.98 1.58 -0.03 2.22 2.07 -0.49 -4.93 121.20 122.60 1wyz s ILE 116 Ca -0.04 -0.67 -0.17 0.00 -1.41 0.00 0.00 60.65 58.36 1wyz s ILE 116 Cb -0.15 -1.45 -0.05 0.00 0.13 0.00 0.00 42.46 40.93 1wyz s ILE 116 CO -0.05 0.46 0.48 -2.16 -1.91 0.00 0.00 174.94 171.76 1wyz s PRO 117 N 1.20 4.15 0.29 3.50 0.04 -1.26 -2.23 135.00 140.68 1wyz s PRO 117 Ca -0.01 0.51 0.06 0.00 0.04 0.00 0.00 61.00 61.59 1wyz s PRO 117 Cb -0.14 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 1wyz s PRO 117 CO -0.06 0.47 0.41 -0.51 0.04 0.00 0.00 177.00 177.35 1wyz s LEU 118 N -0.42 4.15 0.11 -3.56 1.43 -0.93 -4.94 118.68 114.53 1wyz s LEU 118 Ca 0.26 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 1wyz s LEU 118 Cb -0.17 -2.81 -0.06 0.00 0.03 0.00 0.00 46.19 43.19 1wyz s LEU 118 CO 0.14 -0.24 1.01 -0.69 0.23 0.00 0.00 176.35 176.79 1wyz s VAL 119 N -2.07 4.37 0.24 -1.59 1.01 -1.26 -4.70 120.40 116.41 1wyz s VAL 119 Ca 0.39 1.93 -0.11 0.00 0.00 0.00 0.00 61.98 64.20 1wyz s VAL 119 Cb -0.09 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1wyz s VAL 119 CO 0.30 0.28 0.43 -0.83 0.00 0.00 0.00 175.10 175.28 1wyz s GLY 120 N 0.15 0.70 0.23 4.51 0.00 -1.26 -4.42 107.32 107.22 1wyz s GLY 120 Ca 0.49 -1.02 -0.30 0.00 0.00 0.00 0.00 44.72 43.88 1wyz s GLY 120 CO 0.31 -0.75 1.34 2.56 0.00 0.00 0.00 173.10 176.56 1wyz s PRO 121 N -3.99 4.35 -0.24 2.90 0.04 -1.25 -5.00 135.00 131.81 1wyz s PRO 121 Ca 0.25 2.14 0.01 0.00 0.04 0.00 0.00 61.00 63.44 1wyz s PRO 121 Cb 0.00 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.44 1wyz s PRO 121 CO 0.10 -0.29 -0.08 0.45 0.04 0.00 0.00 177.00 177.22 1wyz s SER 122 N 0.26 3.95 0.42 6.66 0.15 -1.26 -4.86 113.70 119.02 1wyz s SER 122 Ca 0.57 -1.19 0.16 0.00 0.70 0.00 0.00 55.95 56.18 1wyz s SER 122 Cb -0.38 -1.30 1.04 0.00 -1.71 0.00 0.00 66.02 63.67 1wyz s SER 122 CO 0.41 -0.21 1.90 0.77 1.20 0.00 0.00 173.24 177.31 1wyz h SER 123 N 7.90 0.41 0.35 5.45 4.64 -1.96 -0.45 113.55 129.90 1wyz h SER 123 Ca -0.20 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 1wyz h SER 123 Cb 1.07 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1wyz h SER 123 CO 0.44 0.20 -0.17 0.40 -0.87 0.00 0.00 176.83 176.83 1wyz h ILE 124 N 0.43 0.62 0.00 0.95 1.08 -1.99 -2.17 117.51 116.43 1wyz h ILE 124 Ca 0.40 -0.52 -0.11 0.00 -0.39 0.00 0.00 64.86 64.24 1wyz h ILE 124 Cb 0.93 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 1wyz h ILE 124 CO -0.14 0.09 -0.52 0.16 -0.69 0.00 0.00 178.15 177.06 1wyz h ILE 125 N -0.79 1.15 -0.18 -0.67 -0.00 -1.94 -1.78 117.51 113.31 1wyz h ILE 125 Ca -0.05 -1.92 -0.08 0.00 -0.00 0.00 0.00 64.86 62.82 1wyz h ILE 125 Cb 0.52 2.10 -0.01 0.00 -0.00 0.00 0.00 36.82 39.43 1wyz h ILE 125 CO 0.08 0.51 -0.23 -0.07 -0.00 0.00 0.00 178.15 178.44 1wyz h LEU 126 N 0.00 0.31 0.15 0.16 3.38 -1.13 -2.96 115.31 115.22 1wyz h LEU 126 Ca -0.01 -0.09 -0.30 0.00 0.09 0.00 0.00 57.88 57.57 1wyz h LEU 126 Cb 1.06 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1wyz h LEU 126 CO 0.07 0.55 -1.43 0.77 0.09 0.00 0.00 178.44 178.49 1wyz h SER 127 N 0.29 0.49 0.00 -0.43 4.64 -1.09 -2.40 113.55 115.05 1wyz h SER 127 Ca 0.05 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1wyz h SER 127 Cb 0.57 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1wyz h SER 127 CO 0.04 1.47 0.00 0.52 -0.87 0.00 0.00 176.83 177.99 1wyz n VAL 128 N -3.53 0.00 0.00 0.95 0.31 -0.69 -1.35 118.33 114.02 1wyz n VAL 128 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1wyz n VAL 128 Cb 1.05 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.83 1wyz n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wyz n ALA 130 N 0.63 0.00 0.22 3.52 0.00 -0.90 -3.78 120.51 120.21 1wyz n ALA 130 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1wyz n ALA 130 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 1wyz n ALA 130 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wyz h SER 131 N 0.00 0.00 0.00 0.00 4.64 -1.49 -3.46 113.55 113.24 1wyz h SER 131 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wyz h SER 131 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1wyz h SER 131 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1wyz n GLY 132 N 0.93 0.52 0.00 -0.77 0.00 -1.25 -4.73 105.19 99.89 1wyz n GLY 132 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1wyz n GLY 132 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wyz n PHE 133 N -2.88 -3.20 -2.74 1.61 3.72 -1.26 -5.03 117.46 107.69 1wyz n PHE 133 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1wyz n PHE 133 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1wyz n PHE 133 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1wyz s ASN 134 N -1.00 6.63 0.06 4.37 2.47 -1.26 -4.88 114.94 121.33 1wyz s ASN 134 Ca 0.00 0.44 0.25 0.00 0.42 0.00 0.00 52.86 53.97 1wyz s ASN 134 Cb 0.00 -2.49 0.44 0.00 -1.45 0.00 0.00 41.25 37.75 1wyz s ASN 134 CO 0.00 -1.04 1.37 0.61 -3.72 0.00 0.00 177.10 174.33 1wyz n GLY 135 N 4.64 -1.33 0.00 1.21 0.00 -1.26 -3.60 105.19 104.85 1wyz n GLY 135 Ca 0.09 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1wyz n GLY 135 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wyz n GLN 136 N -1.80 0.06 -3.30 1.61 7.27 -1.26 -4.63 117.38 115.33 1wyz n GLN 136 Ca 0.04 0.07 0.03 0.00 0.07 0.00 0.00 57.00 57.21 1wyz n GLN 136 Cb 0.39 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.52 1wyz n GLN 136 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1wyz s SER 137 N -2.93 -1.28 0.02 1.69 0.15 -1.24 -5.12 113.70 105.00 1wyz s SER 137 Ca 0.14 1.07 -0.27 0.00 0.70 0.00 0.00 55.95 57.59 1wyz s SER 137 Cb 0.16 2.18 0.06 0.00 -1.71 0.00 0.00 66.02 66.72 1wyz s SER 137 CO 0.44 -0.24 0.62 0.72 1.20 0.00 0.00 173.24 175.98 1wyz s PHE 138 N 2.87 -0.57 -0.08 3.44 -0.12 -1.26 -0.95 117.98 121.31 1wyz s PHE 138 Ca 0.12 0.78 0.01 0.00 -0.05 0.00 0.00 56.93 57.79 1wyz s PHE 138 Cb -0.14 0.42 0.02 0.00 -0.63 0.00 0.00 43.02 42.69 1wyz s PHE 138 CO -0.20 -0.67 -0.09 0.00 -0.05 0.00 0.00 175.22 174.21 1wyz s ALA 139 N -2.06 1.21 -0.23 1.99 0.00 0.24 -4.92 121.76 117.99 1wyz s ALA 139 Ca -0.07 -0.42 -0.10 0.00 0.00 0.00 0.00 51.96 51.37 1wyz s ALA 139 Cb -0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 1wyz s ALA 139 CO 0.02 -0.11 0.15 0.12 0.00 0.00 0.00 175.76 175.94 1wyz s PHE 140 N 1.11 3.32 -1.03 0.00 5.36 -1.26 0.38 117.98 125.85 1wyz s PHE 140 Ca -0.07 0.22 0.13 0.00 -0.96 0.00 0.00 56.93 56.26 1wyz s PHE 140 Cb -0.14 -2.24 0.40 0.00 -0.34 0.00 0.00 43.02 40.70 1wyz s PHE 140 CO -0.01 0.09 1.33 0.72 -1.46 0.00 0.00 175.22 175.89 1wyz n HIS 141 N 4.15 0.64 -3.17 10.12 8.25 0.39 -4.97 115.22 130.63 1wyz n HIS 141 Ca -0.15 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1wyz n HIS 141 Cb 0.52 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1wyz n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wyz n GLY 142 N 0.63 3.23 3.83 -1.41 0.00 -1.26 -4.54 105.19 105.67 1wyz n GLY 142 Ca 0.15 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1wyz n GLY 142 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wyz s TYR 143 N 0.00 3.52 0.50 1.61 2.02 -1.26 -1.33 117.35 122.41 1wyz s TYR 143 Ca 0.00 1.29 -0.03 0.00 -0.37 0.00 0.00 57.07 57.96 1wyz s TYR 143 Cb 0.00 -2.57 -0.01 0.00 -0.40 0.00 0.00 41.96 38.98 1wyz s TYR 143 CO 0.00 0.23 0.78 -0.51 -1.57 0.00 0.00 175.55 174.48 1wyz s LEU 144 N -2.44 3.52 0.28 -1.29 1.43 -1.26 -4.97 118.68 113.95 1wyz s LEU 144 Ca 0.48 0.64 -0.26 0.00 -1.03 0.00 0.00 54.13 53.96 1wyz s LEU 144 Cb -0.14 -3.52 -0.16 0.00 0.03 0.00 0.00 46.19 42.41 1wyz s LEU 144 CO 0.19 -0.76 0.56 -2.65 0.23 0.00 0.00 176.35 173.92 1wyz n PRO 145 N -2.29 0.36 0.08 1.29 -0.02 -1.26 -4.98 135.00 128.18 1wyz n PRO 145 Ca 0.02 0.13 -0.03 0.00 -2.02 0.00 0.00 63.50 61.59 1wyz n PRO 145 Cb 0.57 -1.24 -0.02 0.00 -0.02 0.00 0.00 33.50 32.79 1wyz n PRO 145 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1wyz h ILE 146 N 1.08 0.00 -2.36 4.25 5.03 -1.96 -3.39 117.51 120.16 1wyz h ILE 146 Ca -0.33 -0.11 -0.59 0.00 -0.12 0.00 0.00 64.86 63.71 1wyz h ILE 146 Cb 1.41 0.00 0.07 0.00 -3.03 0.00 0.00 36.82 35.27 1wyz h ILE 146 CO 0.56 0.00 0.71 -1.84 -0.68 0.00 0.00 178.15 176.89 1wyz n GLU 147 N -2.88 2.03 -1.76 2.37 -0.00 -1.26 -4.85 120.64 114.29 1wyz n GLU 147 Ca -0.03 0.73 -0.42 0.00 -0.00 0.00 0.00 57.16 57.44 1wyz n GLU 147 Cb 0.09 -2.45 -0.03 0.00 -0.00 0.00 0.00 31.44 29.05 1wyz n GLU 147 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 1wyz s PRO 148 N 0.43 4.15 0.00 3.44 0.02 -1.26 -2.58 135.00 139.21 1wyz s PRO 148 Ca 0.76 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.30 1wyz s PRO 148 Cb -0.69 -3.73 0.00 0.00 0.02 0.00 0.00 34.50 30.10 1wyz s PRO 148 CO 0.42 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1wyz n GLY 149 N 4.25 2.83 0.37 0.52 0.00 -1.26 -4.77 105.19 107.11 1wyz n GLY 149 Ca 0.18 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 1wyz n GLY 149 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wyz h GLU 150 N 0.00 1.25 -0.33 1.61 5.08 -1.87 0.74 114.58 121.06 1wyz h GLU 150 Ca 0.00 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1wyz h GLU 150 Cb 0.00 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 1wyz h GLU 150 CO 0.00 0.83 -0.31 -0.09 -1.00 0.00 0.00 179.01 178.44 1wyz h ARG 151 N 1.28 0.72 -0.03 2.33 2.43 -1.72 -0.21 114.38 119.18 1wyz h ARG 151 Ca 0.37 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1wyz h ARG 151 Cb -0.08 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1wyz h ARG 151 CO -0.10 0.93 0.01 0.00 -1.51 0.00 0.00 179.97 179.30 1wyz h ALA 152 N 1.05 0.04 0.00 2.80 0.00 -1.14 -2.15 119.26 119.86 1wyz h ALA 152 Ca 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1wyz h ALA 152 Cb 0.82 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1wyz h ALA 152 CO 0.07 -0.36 -0.12 0.87 0.00 0.00 0.00 179.25 179.71 1wyz h LYS 153 N -0.15 0.00 -0.03 0.00 1.57 0.44 -2.74 116.57 115.66 1wyz h LYS 153 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wyz h LYS 153 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1wyz h LYS 153 CO -0.00 0.12 -0.00 -0.22 -0.57 0.00 0.00 179.45 178.78 1wyz h LYS 154 N 0.00 0.05 -0.20 3.15 1.63 -0.63 -0.68 116.57 119.90 1wyz h LYS 154 Ca -0.00 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.82 1wyz h LYS 154 Cb 0.54 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.13 1wyz h LYS 154 CO 0.02 0.38 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.28 1wyz h LEU 155 N -0.29 -0.17 -0.54 5.20 3.38 -1.15 0.23 115.31 121.97 1wyz h LEU 155 Ca 0.01 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1wyz h LEU 155 Cb 0.36 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1wyz h LEU 155 CO 0.00 -0.06 0.30 0.50 0.09 0.00 0.00 178.44 179.27 1wyz h LYS 156 N 0.01 0.57 0.91 1.13 1.63 -1.44 0.28 116.57 119.66 1wyz h LYS 156 Ca 0.09 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 1wyz h LYS 156 Cb 0.14 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1wyz h LYS 156 CO -0.20 0.37 -0.48 1.15 -3.45 0.00 0.00 179.45 176.85 1wyz h THR 157 N 0.58 0.03 -0.79 1.00 2.02 -0.55 0.36 112.91 115.56 1wyz h THR 157 Ca 0.23 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.59 1wyz h THR 157 Cb 0.09 0.03 -0.12 0.00 -1.74 0.00 0.00 68.15 66.41 1wyz h THR 157 CO -0.13 0.00 0.21 -0.07 0.37 0.00 0.00 175.52 175.90 1wyz h LEU 158 N -1.28 0.04 -1.05 2.58 4.07 -0.24 0.69 115.31 120.13 1wyz h LEU 158 Ca -0.12 0.16 -0.08 0.00 0.08 0.00 0.00 57.88 57.92 1wyz h LEU 158 Cb 1.00 0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.93 1wyz h LEU 158 CO 0.18 -0.05 -0.14 -0.08 -1.08 0.00 0.00 178.44 177.26 1wyz h GLU 159 N 0.28 0.51 -0.84 1.13 4.81 -0.11 -1.20 114.58 119.17 1wyz h GLU 159 Ca 0.46 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1wyz h GLU 159 Cb 0.82 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 1wyz h GLU 159 CO -0.54 0.65 0.55 1.96 -0.73 0.00 0.00 179.01 180.89 1wyz h GLN 160 N 0.47 1.11 -0.10 1.92 4.20 0.45 -1.73 115.11 121.44 1wyz h GLN 160 Ca 0.08 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 1wyz h GLN 160 Cb 0.52 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1wyz h GLN 160 CO 0.03 0.74 -0.46 0.00 -0.67 0.00 0.00 178.83 178.47 1wyz h ARG 161 N 1.15 0.24 0.76 1.46 3.08 0.17 -1.47 114.38 119.76 1wyz h ARG 161 Ca 0.31 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1wyz h ARG 161 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1wyz h ARG 161 CO -0.07 0.66 -0.42 0.28 -1.07 0.00 0.00 179.97 179.35 1wyz h VAL 162 N 0.20 0.15 -0.28 2.04 2.07 -0.32 0.95 116.25 121.05 1wyz h VAL 162 Ca 0.01 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 1wyz h VAL 162 Cb 0.89 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1wyz h VAL 162 CO 0.07 0.00 -0.40 1.88 0.02 0.00 0.00 177.57 179.14 1wyz h TYR 163 N -1.09 0.80 0.03 1.57 0.05 -1.56 0.16 116.97 116.92 1wyz h TYR 163 Ca -0.10 -0.23 -0.00 0.00 0.05 0.00 0.00 58.73 58.45 1wyz h TYR 163 Cb 0.86 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.43 1wyz h TYR 163 CO -0.07 0.96 -0.01 0.00 -1.05 0.00 0.00 178.16 177.99 1wyz h ALA 164 N 1.01 -0.04 -0.65 3.88 0.00 -1.28 -3.37 119.26 118.82 1wyz h ALA 164 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wyz h ALA 164 Cb 0.93 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1wyz h ALA 164 CO 0.08 -0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.54 1wyz n GLU 165 N -4.79 2.76 -4.21 0.00 1.02 0.32 -4.97 120.64 110.76 1wyz n GLU 165 Ca -0.09 -2.52 -0.35 0.00 -0.02 0.00 0.00 57.16 54.18 1wyz n GLU 165 Cb 0.32 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 1wyz n GLU 165 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wyz n SER 166 N 1.39 -2.77 -4.22 1.62 7.64 0.55 -4.93 113.62 112.92 1wyz n SER 166 Ca 0.22 -1.03 -0.32 0.00 1.01 0.00 0.00 58.87 58.74 1wyz n SER 166 Cb 0.58 -2.70 -0.17 0.00 -1.01 0.00 0.00 64.21 60.91 1wyz n SER 166 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1wyz s GLN 167 N -6.92 3.06 0.35 1.43 0.74 -1.18 -4.75 119.66 112.39 1wyz s GLN 167 Ca 0.64 -0.86 -0.28 0.00 0.05 0.00 0.00 55.36 54.90 1wyz s GLN 167 Cb -0.35 -2.34 -0.10 0.00 1.10 0.00 0.00 33.01 31.32 1wyz s GLN 167 CO 0.93 0.15 1.30 0.99 -0.55 0.00 0.00 175.29 178.11 1wyz s THR 168 N 0.43 2.70 -0.22 -0.34 2.01 -0.12 -3.99 115.64 116.10 1wyz s THR 168 Ca -0.16 0.69 -0.01 0.00 0.31 0.00 0.00 61.69 62.51 1wyz s THR 168 Cb -0.17 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 68.93 1wyz s THR 168 CO 0.07 0.15 -0.10 -1.10 -0.69 0.00 0.00 174.62 172.95 1wyz s GLN 169 N -1.93 3.00 0.17 4.92 -1.52 -0.97 -0.59 119.66 122.74 1wyz s GLN 169 Ca 0.51 -0.86 0.10 0.00 -1.95 0.00 0.00 55.36 53.17 1wyz s GLN 169 Cb -0.39 -2.88 -0.04 0.00 -0.22 0.00 0.00 33.01 29.48 1wyz s GLN 169 CO 0.51 -0.30 -0.19 -0.51 -0.25 0.00 0.00 175.29 174.55 1wyz s LEU 170 N 1.35 2.61 0.17 2.90 1.02 0.16 -1.18 118.68 125.72 1wyz s LEU 170 Ca 0.03 -0.73 -0.24 0.00 0.02 0.00 0.00 54.13 53.20 1wyz s LEU 170 Cb -0.15 -1.37 0.06 0.00 0.02 0.00 0.00 46.19 44.76 1wyz s LEU 170 CO -0.07 0.13 0.97 0.72 0.02 0.00 0.00 176.35 178.12 1wyz s PHE 171 N -1.55 -0.08 0.41 0.29 -0.71 -0.58 -0.47 117.98 115.28 1wyz s PHE 171 Ca 0.21 -0.26 0.02 0.00 -1.04 0.00 0.00 56.93 55.86 1wyz s PHE 171 Cb -0.09 0.66 -0.01 0.00 -1.21 0.00 0.00 43.02 42.38 1wyz s PHE 171 CO 0.11 -0.88 0.06 0.44 -1.34 0.00 0.00 175.22 173.61 1wyz n ILE 172 N -0.52 0.00 -3.57 -4.49 -5.35 -0.44 0.11 119.36 105.11 1wyz n ILE 172 Ca -0.06 -2.10 -0.16 0.00 -0.27 0.00 0.00 62.75 60.17 1wyz n ILE 172 Cb 0.60 0.57 -0.06 0.00 -1.74 0.00 0.00 39.64 39.01 1wyz n ILE 172 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1wyz s GLU 173 N -3.50 0.91 0.55 6.28 2.56 -1.17 -4.46 118.70 119.87 1wyz s GLU 173 Ca 0.08 0.49 -0.21 0.00 0.00 0.00 0.00 54.97 55.34 1wyz s GLU 173 Cb 0.00 0.44 -0.05 0.00 2.00 0.00 0.00 34.13 36.52 1wyz s GLU 173 CO 0.06 -0.23 1.25 0.95 -0.56 0.00 0.00 175.26 176.73 1wyz s THR 174 N -0.62 2.53 0.18 -1.70 -4.23 -1.26 -3.70 115.64 106.84 1wyz s THR 174 Ca -0.06 0.37 -0.26 0.00 -1.18 0.00 0.00 61.69 60.56 1wyz s THR 174 Cb -0.02 -3.17 0.05 0.00 1.34 0.00 0.00 72.50 70.70 1wyz s THR 174 CO 0.05 -0.04 1.55 -0.65 -0.54 0.00 0.00 174.62 175.00 1wyz h PRO 175 N 1.31 -0.08 -1.89 3.99 0.11 -1.92 -2.36 132.00 131.15 1wyz h PRO 175 Ca -0.50 0.01 -0.37 0.00 0.11 0.00 0.00 66.00 65.24 1wyz h PRO 175 Cb 1.29 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.28 1wyz h PRO 175 CO 0.57 -0.05 0.22 0.66 -0.21 0.00 0.00 178.00 179.18 1wyz n TYR 176 N -5.36 1.18 -1.77 0.65 4.01 -1.26 -3.35 117.16 111.25 1wyz n TYR 176 Ca 0.04 -1.81 0.00 0.00 -0.16 0.00 0.00 57.90 55.97 1wyz n TYR 176 Cb 0.33 -1.28 0.00 0.00 -0.31 0.00 0.00 39.34 38.08 1wyz n TYR 176 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1wyz n ARG 177 N 1.11 0.00 -0.03 -0.72 5.12 -0.90 -4.98 116.66 116.27 1wyz n ARG 177 Ca 0.41 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.19 1wyz n ARG 177 Cb 0.63 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.83 1wyz n ARG 177 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1wyz h ASN 178 N 0.00 0.14 0.25 0.55 2.35 -1.55 -3.19 115.58 114.13 1wyz h ASN 178 Ca 0.00 -0.58 -0.03 0.00 -0.55 0.00 0.00 56.30 55.15 1wyz h ASN 178 Cb 0.88 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 1wyz h ASN 178 CO 0.00 0.69 -0.13 0.45 -1.65 0.00 0.00 177.43 176.80 1wyz h HIS 179 N -0.40 0.00 0.00 1.19 3.86 -1.89 -2.16 115.15 115.74 1wyz h HIS 179 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1wyz h HIS 179 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1wyz h HIS 179 CO 0.12 0.13 0.00 1.17 0.86 0.00 0.00 177.93 180.21 1wyz n LYS 180 N -3.90 0.64 0.00 2.45 3.00 -1.21 -2.51 118.16 116.62 1wyz n LYS 180 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1wyz n LYS 180 Cb 0.22 -1.20 0.00 0.00 0.00 0.00 0.00 35.03 34.05 1wyz n LYS 180 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1wyz n ILE 182 N 0.60 0.00 -0.23 3.15 0.00 -0.81 -1.13 119.36 120.95 1wyz n ILE 182 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 62.75 62.67 1wyz n ILE 182 Cb 0.29 0.00 0.03 0.00 0.00 0.00 0.00 39.64 39.97 1wyz n ILE 182 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1wyz h GLU 183 N 0.00 1.02 -0.01 9.51 4.57 -1.76 -0.14 114.58 127.78 1wyz h GLU 183 Ca 0.00 -0.25 -0.12 0.00 -1.18 0.00 0.00 59.36 57.81 1wyz h GLU 183 Cb 0.00 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1wyz h GLU 183 CO 0.00 0.93 -0.55 -0.44 -1.18 0.00 0.00 179.01 177.77 1wyz h ASP 184 N 0.94 0.02 0.44 1.04 3.32 -1.42 -2.80 116.42 117.96 1wyz h ASP 184 Ca 0.20 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1wyz h ASP 184 Cb 0.38 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1wyz h ASP 184 CO 0.00 0.56 -0.21 0.40 -1.72 0.00 0.00 179.24 178.27 1wyz h ILE 185 N 0.01 0.00 0.00 0.35 2.04 -1.66 -1.97 117.51 116.29 1wyz h ILE 185 Ca -0.00 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1wyz h ILE 185 Cb 0.97 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1wyz h ILE 185 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.22 1wyz n LEU 186 N -4.90 0.00 -0.06 1.44 -0.00 -0.13 -0.62 117.00 112.74 1wyz n LEU 186 Ca -0.07 0.43 -0.19 0.00 -0.00 0.00 0.00 56.01 56.17 1wyz n LEU 186 Cb 0.24 -0.43 -0.13 0.00 -0.00 0.00 0.00 43.42 43.09 1wyz n LEU 186 CO 0.18 -0.40 -1.07 0.00 -0.00 0.00 0.00 177.39 176.10 1wyz n GLN 187 N -1.43 0.71 -0.00 1.47 6.02 -1.06 -4.47 117.38 118.62 1wyz n GLN 187 Ca 0.01 0.20 0.11 0.00 -0.01 0.00 0.00 57.00 57.31 1wyz n GLN 187 Cb 0.02 -1.62 0.09 0.00 1.02 0.00 0.00 30.24 29.76 1wyz n GLN 187 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1wyz n ASN 188 N -3.36 2.89 -4.55 1.08 4.13 -0.74 -5.00 115.26 109.70 1wyz n ASN 188 Ca -0.38 -1.94 -0.25 0.00 1.68 0.00 0.00 54.58 53.69 1wyz n ASN 188 Cb 1.02 -0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 39.17 1wyz n ASN 188 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wyz n ARG 190 N -0.41 2.05 -0.02 0.00 1.74 -1.26 -4.84 116.66 113.93 1wyz n ARG 190 Ca -0.08 0.73 0.02 0.00 -0.77 0.00 0.00 57.85 57.74 1wyz n ARG 190 Cb 0.58 -2.33 0.34 0.00 -1.02 0.00 0.00 32.46 30.03 1wyz n ARG 190 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1wyz h PRO 191 N 3.25 0.57 -0.00 5.56 0.11 -1.97 -2.65 132.00 136.87 1wyz h PRO 191 Ca -0.45 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1wyz h PRO 191 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wyz h PRO 191 CO 0.68 0.48 -0.13 1.04 -0.21 0.00 0.00 178.00 179.87 1wyz n GLN 192 N -4.37 0.68 -1.76 1.05 1.13 -1.26 -2.19 117.38 110.66 1wyz n GLN 192 Ca 0.03 -0.25 -0.34 0.00 -1.94 0.00 0.00 57.00 54.49 1wyz n GLN 192 Cb 0.16 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.07 1wyz n GLN 192 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1wyz s THR 193 N -2.49 2.77 -0.16 5.09 2.01 -1.00 -4.74 115.64 117.12 1wyz s THR 193 Ca 0.28 0.41 -0.07 0.00 0.31 0.00 0.00 61.69 62.62 1wyz s THR 193 Cb 0.20 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1wyz s THR 193 CO 0.48 -0.18 0.07 -0.54 -0.69 0.00 0.00 174.62 173.77 1wyz s LYS 194 N -3.77 3.73 -0.00 4.92 1.02 0.58 -0.16 119.74 126.06 1wyz s LYS 194 Ca 0.72 -0.30 0.07 0.00 0.02 0.00 0.00 55.97 56.48 1wyz s LYS 194 Cb -0.26 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1wyz s LYS 194 CO 0.39 0.44 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.87 1wyz s LEU 195 N -0.11 2.07 -0.03 3.17 2.96 0.14 0.39 118.68 127.27 1wyz s LEU 195 Ca 0.07 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1wyz s LEU 195 Cb -0.12 -1.13 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 1wyz s LEU 195 CO 0.01 0.26 -0.19 0.00 -1.32 0.00 0.00 176.35 175.10 1wyz s ILE 197 N -0.27 2.27 -0.14 0.00 1.01 -0.85 -0.43 121.20 122.79 1wyz s ILE 197 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.77 1wyz s ILE 197 Cb -0.09 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.49 1wyz s ILE 197 CO 0.01 0.55 -0.22 0.00 0.00 0.00 0.00 174.94 175.28 1wyz s ALA 198 N 0.42 2.22 0.00 9.38 0.00 -0.55 -2.36 121.76 130.88 1wyz s ALA 198 Ca -0.15 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1wyz s ALA 198 Cb -0.17 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1wyz s ALA 198 CO 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 175.76 175.79 1wyz n ALA 199 N 4.09 0.16 -1.66 0.00 0.00 -0.04 -0.60 120.51 122.46 1wyz n ALA 199 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 1wyz n ALA 199 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 1wyz n ALA 199 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wyz n ASN 200 N 0.00 6.64 -4.70 0.00 3.02 -1.26 -4.80 115.26 114.16 1wyz n ASN 200 Ca 0.00 -2.80 -0.44 0.00 -0.03 0.00 0.00 54.58 51.31 1wyz n ASN 200 Cb 0.00 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 37.58 1wyz n ASN 200 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1wyz n ILE 201 N 3.79 0.16 0.00 2.41 -0.00 -1.26 -2.11 119.36 122.35 1wyz n ILE 201 Ca 0.63 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 63.34 1wyz n ILE 201 Cb 0.30 -1.79 0.00 0.00 -0.00 0.00 0.00 39.64 38.15 1wyz n ILE 201 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1wyz n THR 202 N 3.47 0.00 -2.43 1.39 5.66 -1.26 -4.73 114.28 116.38 1wyz n THR 202 Ca 0.15 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.91 1wyz n THR 202 Cb 0.33 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 69.22 1wyz n THR 202 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wyz s GLU 204 N -5.25 4.55 0.00 0.00 -1.05 -1.26 -2.74 118.70 112.95 1wyz s GLU 204 Ca 0.66 1.70 0.00 0.00 -0.15 0.00 0.00 54.97 57.18 1wyz s GLU 204 Cb -0.06 -3.32 0.00 0.00 -0.44 0.00 0.00 34.13 30.31 1wyz s GLU 204 CO 0.45 -0.03 0.00 0.41 0.95 0.00 0.00 175.26 177.05 1wyz n GLY 205 N 2.46 1.02 3.68 -3.83 0.00 -1.26 -4.96 105.19 102.30 1wyz n GLY 205 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 1wyz n GLY 205 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wyz n GLU 206 N -1.95 2.44 -3.88 1.61 2.13 -1.11 -4.20 120.64 115.68 1wyz n GLU 206 Ca 0.00 0.89 -0.30 0.00 0.66 0.00 0.00 57.16 58.41 1wyz n GLU 206 Cb 0.00 -2.72 -0.16 0.00 0.27 0.00 0.00 31.44 28.83 1wyz n GLU 206 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1wyz s PHE 207 N 2.27 2.04 -0.24 4.31 5.36 -1.26 -4.91 117.98 125.55 1wyz s PHE 207 Ca 0.83 -1.53 -0.02 0.00 -0.96 0.00 0.00 56.93 55.24 1wyz s PHE 207 Cb -0.60 -1.45 0.07 0.00 -0.34 0.00 0.00 43.02 40.71 1wyz s PHE 207 CO 0.40 -0.74 0.05 0.42 -1.46 0.00 0.00 175.22 173.90 1wyz s ILE 208 N 1.52 0.69 -0.01 3.12 -1.09 -1.26 -0.86 121.20 123.30 1wyz s ILE 208 Ca -0.04 -0.88 -0.00 0.00 -2.23 0.00 0.00 60.65 57.49 1wyz s ILE 208 Cb -0.18 -1.29 0.01 0.00 -1.58 0.00 0.00 42.46 39.42 1wyz s ILE 208 CO -0.07 -0.37 0.02 -1.58 -1.23 0.00 0.00 174.94 171.71 1wyz s GLN 209 N 1.76 0.00 -0.21 2.79 0.74 -0.99 -4.97 119.66 118.78 1wyz s GLN 209 Ca 0.02 0.07 -0.06 0.00 0.05 0.00 0.00 55.36 55.44 1wyz s GLN 209 Cb -0.17 -0.07 -0.03 0.00 1.10 0.00 0.00 33.01 33.84 1wyz s GLN 209 CO -0.15 -0.05 0.04 0.99 -0.55 0.00 0.00 175.29 175.57 1wyz s THR 210 N 0.33 4.34 0.19 -0.34 2.01 -1.26 -2.01 115.64 118.89 1wyz s THR 210 Ca -0.03 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 61.83 1wyz s THR 210 Cb -0.04 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 1wyz s THR 210 CO -0.01 0.41 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.16 1wyz s ARG 211 N 0.95 1.19 0.16 4.92 0.52 0.73 -4.98 118.95 122.45 1wyz s ARG 211 Ca 0.03 -1.56 -0.30 0.00 -0.52 0.00 0.00 55.73 53.37 1wyz s ARG 211 Cb -0.14 -0.57 -0.07 0.00 0.52 0.00 0.00 34.95 34.69 1wyz s ARG 211 CO 0.02 -0.03 1.11 0.99 0.02 0.00 0.00 175.30 177.41 1wyz s THR 212 N -3.42 3.90 0.30 0.02 2.01 -1.26 0.23 115.64 117.42 1wyz s THR 212 Ca 0.23 1.59 0.02 0.00 0.31 0.00 0.00 61.69 63.84 1wyz s THR 212 Cb 0.04 -4.02 0.40 0.00 0.01 0.00 0.00 72.50 68.94 1wyz s THR 212 CO 0.05 0.25 1.49 0.52 -0.69 0.00 0.00 174.62 176.24 1wyz n VAL 213 N 2.60 -0.40 -0.16 3.82 0.31 0.78 0.59 118.33 125.87 1wyz n VAL 213 Ca 0.04 2.09 -0.02 0.00 -0.01 0.00 0.00 64.34 66.44 1wyz n VAL 213 Cb 0.46 -3.07 0.05 0.00 -0.91 0.00 0.00 33.84 30.38 1wyz n VAL 213 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1wyz h LYS 214 N 0.00 0.06 0.00 5.55 3.11 -1.69 -1.14 116.57 122.47 1wyz h LYS 214 Ca 0.58 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.42 1wyz h LYS 214 Cb 1.22 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 1wyz h LYS 214 CO -0.89 0.04 0.00 -0.25 -2.81 0.00 0.00 179.45 175.54 1wyz n ASP 215 N -5.29 0.00 -0.85 4.20 8.00 0.20 -2.27 116.55 120.54 1wyz n ASP 215 Ca 0.05 -0.47 0.12 0.00 0.71 0.00 0.00 54.79 55.21 1wyz n ASP 215 Cb 0.28 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.62 1wyz n ASP 215 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1wyz n TRP 216 N -0.95 0.11 0.32 1.24 7.02 -0.43 -4.27 117.44 120.49 1wyz n TRP 216 Ca 0.09 -0.05 0.20 0.00 -1.02 0.00 0.00 57.50 56.71 1wyz n TRP 216 Cb 0.04 0.00 1.05 0.00 -2.42 0.00 0.00 31.31 29.98 1wyz n TRP 216 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1wyz h LYS 217 N 3.90 0.00 -2.08 -0.99 1.79 -1.59 -3.45 116.57 114.15 1wyz h LYS 217 Ca 0.00 0.00 0.28 0.00 -2.18 0.00 0.00 60.65 58.75 1wyz h LYS 217 Cb 0.84 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.41 1wyz h LYS 217 CO 0.00 0.00 0.78 0.20 -1.08 0.00 0.00 179.45 179.35 1wyz s GLY 218 N -4.02 -0.14 -1.49 3.86 0.00 -1.26 -4.96 107.32 99.30 1wyz s GLY 218 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1wyz s GLY 218 CO 0.39 3.15 0.00 1.42 0.00 0.00 0.00 173.10 178.06 1wyz n HIS 219 N -0.73 -0.50 -3.20 1.90 8.25 -1.26 -4.98 115.22 114.69 1wyz n HIS 219 Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 1wyz n HIS 219 Cb 0.60 -3.13 -0.04 0.00 1.12 0.00 0.00 29.99 28.54 1wyz n HIS 219 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1wyz s ILE 220 N -2.73 4.89 0.87 1.59 2.07 -1.26 -5.09 121.20 121.54 1wyz s ILE 220 Ca 0.00 0.43 -0.13 0.00 -1.41 0.00 0.00 60.65 59.54 1wyz s ILE 220 Cb 0.00 -3.69 0.14 0.00 0.13 0.00 0.00 42.46 39.04 1wyz s ILE 220 CO 0.00 -0.29 1.22 -2.16 -1.91 0.00 0.00 174.94 171.80 1wyz s PRO 221 N -3.36 1.32 0.00 3.50 0.04 -1.26 -5.03 135.00 130.21 1wyz s PRO 221 Ca 0.48 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1wyz s PRO 221 Cb -0.11 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1wyz s PRO 221 CO 0.26 -1.95 0.68 -1.91 0.04 0.00 0.00 177.00 174.12 1wyz n GLU 222 N -3.47 0.00 -1.45 4.56 4.07 -1.26 -4.79 120.64 118.31 1wyz n GLU 222 Ca 0.12 0.24 -0.04 0.00 -0.06 0.00 0.00 57.16 57.42 1wyz n GLU 222 Cb 0.60 -1.18 -0.01 0.00 -0.06 0.00 0.00 31.44 30.79 1wyz n GLU 222 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1wyz n LEU 223 N -1.12 -0.30 -3.07 4.31 -0.00 -1.26 -4.78 117.00 110.77 1wyz n LEU 223 Ca 0.00 0.17 -0.32 0.00 -0.00 0.00 0.00 56.01 55.86 1wyz n LEU 223 Cb 0.00 -1.05 -0.01 0.00 -0.00 0.00 0.00 43.42 42.36 1wyz n LEU 223 CO 0.00 -0.17 0.62 -1.20 -0.00 0.00 0.00 177.39 176.65 1wyz n SER 224 N 0.03 5.56 0.00 1.45 7.64 -1.26 -4.17 113.62 122.87 1wyz n SER 224 Ca -0.04 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.13 1wyz n SER 224 Cb 0.23 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1wyz n SER 224 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1wyz n LYS 225 N -0.25 0.00 -3.82 1.43 4.81 -1.23 -4.50 118.16 114.60 1wyz n LYS 225 Ca 0.38 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.70 1wyz n LYS 225 Cb 0.38 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.32 1wyz n LYS 225 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1wyz s ILE 226 N 0.00 0.03 0.32 3.15 1.10 -1.26 -4.94 121.20 119.60 1wyz s ILE 226 Ca 0.00 -0.24 -0.28 0.00 -0.51 0.00 0.00 60.65 59.62 1wyz s ILE 226 Cb 0.00 -0.35 -0.13 0.00 0.15 0.00 0.00 42.46 42.13 1wyz s ILE 226 CO 0.00 -0.13 1.28 -2.65 -2.11 0.00 0.00 174.94 171.33 1wyz n PRO 227 N 2.41 2.02 -4.28 3.50 -0.02 -1.26 -4.52 135.00 132.85 1wyz n PRO 227 Ca -0.16 0.71 -0.23 0.00 -2.02 0.00 0.00 63.50 61.80 1wyz n PRO 227 Cb 0.58 -2.28 -0.12 0.00 -0.02 0.00 0.00 33.50 31.65 1wyz n PRO 227 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wyz s ILE 229 N -1.16 3.37 -0.18 0.00 1.09 0.23 -3.07 121.20 121.49 1wyz s ILE 229 Ca 0.05 -0.54 -0.05 0.00 -1.10 0.00 0.00 60.65 59.01 1wyz s ILE 229 Cb -0.10 -2.46 -0.03 0.00 -1.06 0.00 0.00 42.46 38.81 1wyz s ILE 229 CO 0.04 0.50 0.01 -0.36 -0.10 0.00 0.00 174.94 175.02 1wyz s PHE 230 N 0.54 3.11 -0.14 3.97 0.40 0.12 -1.48 117.98 124.50 1wyz s PHE 230 Ca -0.06 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 1wyz s PHE 230 Cb -0.15 -2.04 0.01 0.00 0.51 0.00 0.00 43.02 41.34 1wyz s PHE 230 CO 0.03 -0.03 -0.21 -0.51 0.70 0.00 0.00 175.22 175.20 1wyz s LEU 231 N 0.57 2.20 -0.08 -0.37 1.02 0.43 -1.53 118.68 120.92 1wyz s LEU 231 Ca -0.00 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 53.60 1wyz s LEU 231 Cb -0.14 -1.47 -0.03 0.00 0.02 0.00 0.00 46.19 44.58 1wyz s LEU 231 CO 0.02 0.10 -0.09 -0.76 0.02 0.00 0.00 176.35 175.64 1wyz s LEU 232 N 0.72 3.04 0.00 1.79 1.43 -0.32 0.34 118.68 125.67 1wyz s LEU 232 Ca -0.09 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1wyz s LEU 232 Cb -0.16 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1wyz s LEU 232 CO 0.01 0.33 0.19 0.00 0.23 0.00 0.00 176.35 177.11 1wyz n TYR 233 N 2.46 -0.99 -4.62 0.29 9.36 0.16 -2.28 117.16 121.55 1wyz n TYR 233 Ca -0.18 -0.32 -0.28 0.00 3.32 0.00 0.00 57.90 60.44 1wyz n TYR 233 Cb 0.53 0.16 -0.11 0.00 -0.63 0.00 0.00 39.34 39.29 1wyz n TYR 233 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1wyz s LYS 234 N -2.01 1.98 0.00 2.98 -2.85 -1.26 -0.31 119.74 118.27 1wyz s LYS 234 Ca 0.04 -2.13 0.30 0.00 -1.00 0.00 0.00 55.97 53.19 1wyz s LYS 234 Cb -0.01 -1.64 1.57 0.00 -2.06 0.00 0.00 37.83 35.70 1wyz s LYS 234 CO 0.02 -0.07 2.04 -0.11 0.10 0.00 0.00 175.35 177.32