#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wui s MET 2 N 0.00 0.17 0.00 1.96 0.23 -1.26 -4.81 119.30 115.60 1wui s MET 2 Ca 0.00 0.16 0.00 0.00 -1.03 0.00 0.00 55.69 54.82 1wui s MET 2 Cb 0.00 0.08 0.00 0.00 -1.53 0.00 0.00 34.83 33.38 1wui s MET 2 CO 0.00 -0.03 0.00 0.41 -2.03 0.00 0.00 175.02 173.37 1wui n GLY 3 N 1.43 1.76 0.00 3.16 0.00 -1.26 -4.84 105.19 105.43 1wui n GLY 3 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1wui n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wui n PRO 4 N 0.00 -0.17 0.00 1.61 -0.02 -1.26 -4.73 135.00 130.42 1wui n PRO 4 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1wui n PRO 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1wui n PRO 4 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1wui n ARG 5 N -0.92 0.00 -3.53 -0.52 3.00 -1.26 -4.75 116.66 108.68 1wui n ARG 5 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 1wui n ARG 5 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1wui n ARG 5 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1wui s ARG 6 N 0.00 3.84 0.27 -0.14 0.52 -1.26 -5.03 118.95 117.15 1wui s ARG 6 Ca 0.00 0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.21 1wui s ARG 6 Cb 0.00 -3.10 -0.10 0.00 0.52 0.00 0.00 34.95 32.27 1wui s ARG 6 CO 0.00 0.62 1.39 -1.25 0.02 0.00 0.00 175.30 176.08 1wui s PRO 7 N -1.52 4.30 0.05 3.54 0.04 -1.26 -4.46 135.00 135.69 1wui s PRO 7 Ca 0.29 2.26 -0.30 0.00 0.04 0.00 0.00 61.00 63.29 1wui s PRO 7 Cb -0.15 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1wui s PRO 7 CO 0.16 -0.34 0.99 0.45 0.04 0.00 0.00 177.00 178.30 1wui s SER 8 N 0.09 7.39 -0.10 6.66 0.15 -1.26 -0.75 113.70 125.88 1wui s SER 8 Ca 0.56 1.75 0.03 0.00 0.70 0.00 0.00 55.95 58.99 1wui s SER 8 Cb -0.41 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.32 1wui s SER 8 CO 0.46 -0.20 -0.22 -0.69 1.20 0.00 0.00 173.24 173.79 1wui s VAL 9 N 0.61 2.25 -0.21 4.45 1.01 0.53 -0.63 120.40 128.41 1wui s VAL 9 Ca 0.51 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1wui s VAL 9 Cb -0.23 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1wui s VAL 9 CO 0.29 0.55 -0.04 -0.69 0.00 0.00 0.00 175.10 175.22 1wui s VAL 10 N 0.29 3.51 -0.23 2.92 1.01 -0.04 -0.48 120.40 127.38 1wui s VAL 10 Ca -0.16 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1wui s VAL 10 Cb -0.17 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1wui s VAL 10 CO 0.08 0.43 -0.02 -0.47 0.00 0.00 0.00 175.10 175.12 1wui s TYR 11 N 1.27 3.00 -0.01 5.22 5.04 -0.57 -0.96 117.35 130.35 1wui s TYR 11 Ca 0.03 -0.95 0.03 0.00 -2.44 0.00 0.00 57.07 53.74 1wui s TYR 11 Cb -0.14 -2.13 -0.03 0.00 0.35 0.00 0.00 41.96 40.00 1wui s TYR 11 CO -0.01 -0.55 -0.06 -0.51 -1.34 0.00 0.00 175.55 173.08 1wui s LEU 12 N 1.48 3.23 -0.24 6.97 1.43 -0.10 -4.17 118.68 127.27 1wui s LEU 12 Ca 0.05 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1wui s LEU 12 Cb -0.15 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.27 1wui s LEU 12 CO -0.02 0.29 -0.09 -1.00 0.23 0.00 0.00 176.35 175.77 1wui s HIS 13 N -0.98 3.07 0.00 0.29 3.76 -1.26 -0.93 115.29 119.23 1wui s HIS 13 Ca 0.17 -1.71 0.00 0.00 -0.15 0.00 0.00 55.06 53.37 1wui s HIS 13 Cb -0.11 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.56 1wui s HIS 13 CO 0.07 -0.77 0.00 0.09 -0.85 0.00 0.00 174.74 173.28 1wui n ASN 14 N 4.62 0.00 -4.44 1.40 3.02 0.41 -4.97 115.26 115.31 1wui n ASN 14 Ca -0.17 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.95 1wui n ASN 14 Cb 0.46 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.59 1wui n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wui s ALA 15 N -3.08 3.23 0.19 5.41 0.00 -0.07 -4.89 121.76 122.55 1wui s ALA 15 Ca 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 51.96 49.98 1wui s ALA 15 Cb 0.00 -3.70 0.01 0.00 0.00 0.00 0.00 23.12 19.43 1wui s ALA 15 CO 0.00 -2.52 0.43 -1.83 0.00 0.00 0.00 175.76 171.84 1wui s GLU 16 N 3.54 1.33 0.00 0.00 4.04 -1.26 -1.40 118.70 124.94 1wui s GLU 16 Ca 0.20 -1.04 0.13 0.00 0.04 0.00 0.00 54.97 54.29 1wui s GLU 16 Cb -0.18 0.46 -0.01 0.00 0.02 0.00 0.00 34.13 34.42 1wui s GLU 16 CO 0.11 -0.54 0.73 0.00 -1.84 0.00 0.00 175.26 173.71 1wui n THR 18 N -0.22 0.00 -0.02 0.00 -1.04 -1.26 -4.88 114.28 106.86 1wui n THR 18 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1wui n THR 18 Cb 0.26 -0.06 0.30 0.00 -1.82 0.00 0.00 70.33 69.01 1wui n THR 18 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1wui h GLY 19 N 0.00 0.62 0.97 3.41 0.00 -1.99 -0.62 103.07 105.47 1wui h GLY 19 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 1wui h GLY 19 CO 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 176.54 176.85 1wui h SER 21 N 0.59 0.25 -1.00 0.00 0.02 -1.87 -2.09 113.55 109.45 1wui h SER 21 Ca 0.12 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1wui h SER 21 Cb 0.50 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 1wui h SER 21 CO 0.02 0.19 0.65 -0.33 -1.14 0.00 0.00 176.83 176.22 1wui h GLU 22 N 0.37 1.22 -0.92 3.45 4.39 -0.97 -1.76 114.58 120.37 1wui h GLU 22 Ca 0.17 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.87 1wui h GLU 22 Cb 0.10 -0.28 -0.06 0.00 -0.10 0.00 0.00 28.75 28.42 1wui h GLU 22 CO -0.14 0.81 0.60 0.66 -1.16 0.00 0.00 179.01 179.78 1wui h SER 23 N 1.26 0.91 -0.26 1.42 4.64 -0.42 -1.74 113.55 119.36 1wui h SER 23 Ca 0.40 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.65 1wui h SER 23 Cb 0.01 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1wui h SER 23 CO -0.13 0.57 -0.10 0.58 -0.87 0.00 0.00 176.83 176.89 1wui h VAL 24 N 1.02 1.24 0.00 0.95 2.07 -0.87 -1.04 116.25 119.63 1wui h VAL 24 Ca 0.40 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1wui h VAL 24 Cb 0.24 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1wui h VAL 24 CO -0.16 0.36 -0.00 -0.07 0.02 0.00 0.00 177.57 177.72 1wui h LEU 25 N 0.60 0.00 -0.31 2.57 3.38 -0.99 -1.53 115.31 119.03 1wui h LEU 25 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wui h LEU 25 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1wui h LEU 25 CO 0.03 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.10 1wui n ARG 26 N -3.12 1.21 -1.56 1.13 5.12 -0.39 -4.68 116.66 114.37 1wui n ARG 26 Ca -0.02 -0.31 -0.48 0.00 -1.93 0.00 0.00 57.85 55.11 1wui n ARG 26 Cb 0.12 -1.38 -0.03 0.00 -1.16 0.00 0.00 32.46 30.01 1wui n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wui n ALA 27 N -0.53 -0.97 -3.83 7.54 0.00 -0.58 -4.95 120.51 117.19 1wui n ALA 27 Ca 0.17 0.44 -0.26 0.00 0.00 0.00 0.00 53.44 53.80 1wui n ALA 27 Cb 0.15 -1.97 -0.17 0.00 0.00 0.00 0.00 19.45 17.47 1wui n ALA 27 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1wui s PHE 28 N -0.53 1.32 -0.87 0.00 5.36 -1.26 -4.03 117.98 117.97 1wui s PHE 28 Ca 0.69 -0.61 -0.05 0.00 -0.96 0.00 0.00 56.93 55.99 1wui s PHE 28 Cb -0.83 -1.13 -0.00 0.00 -0.34 0.00 0.00 43.02 40.72 1wui s PHE 28 CO 0.55 -0.45 0.68 0.39 -1.46 0.00 0.00 175.22 174.93 1wui n GLU 29 N 4.84 -1.37 -3.10 10.12 1.02 -1.26 -4.62 120.64 126.27 1wui n GLU 29 Ca -0.13 0.94 -0.33 0.00 -0.02 0.00 0.00 57.16 57.61 1wui n GLU 29 Cb 0.50 -3.93 -0.06 0.00 -0.02 0.00 0.00 31.44 27.93 1wui n GLU 29 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wui s PRO 30 N -4.54 4.08 0.73 3.49 0.04 -1.26 -5.19 135.00 132.35 1wui s PRO 30 Ca 0.12 0.76 -0.10 0.00 0.04 0.00 0.00 61.00 61.82 1wui s PRO 30 Cb -0.04 -2.51 0.04 0.00 0.04 0.00 0.00 34.50 32.03 1wui s PRO 30 CO 0.84 0.19 1.09 0.71 0.04 0.00 0.00 177.00 179.87 1wui s TYR 31 N -1.90 3.12 0.39 0.56 1.51 -1.26 -4.70 117.35 115.07 1wui s TYR 31 Ca 0.52 0.80 0.11 0.00 -1.01 0.00 0.00 57.07 57.49 1wui s TYR 31 Cb -0.12 -3.20 0.78 0.00 -0.11 0.00 0.00 41.96 39.31 1wui s TYR 31 CO 0.18 -1.39 1.89 0.97 -1.11 0.00 0.00 175.55 176.09 1wui h ILE 32 N -0.73 1.20 -0.49 2.71 6.09 -1.84 -1.65 117.51 122.80 1wui h ILE 32 Ca -0.45 -0.93 -0.06 0.00 -1.37 0.00 0.00 64.86 62.05 1wui h ILE 32 Cb 1.29 1.39 -0.02 0.00 0.47 0.00 0.00 36.82 39.95 1wui h ILE 32 CO 0.64 0.28 0.09 -2.24 -3.07 0.00 0.00 178.15 173.84 1wui h ASP 33 N 0.13 0.76 -0.79 2.19 2.03 -1.94 -1.32 116.42 117.49 1wui h ASP 33 Ca 0.02 -0.25 -0.00 0.00 -0.73 0.00 0.00 57.03 56.06 1wui h ASP 33 Cb 0.47 -0.20 -0.04 0.00 -0.83 0.00 0.00 39.33 38.73 1wui h ASP 33 CO 0.03 0.82 0.48 0.74 -1.03 0.00 0.00 179.24 180.28 1wui h THR 34 N 0.67 1.22 -0.64 1.15 2.02 -1.82 0.17 112.91 115.68 1wui h THR 34 Ca 0.15 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1wui h THR 34 Cb 0.38 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1wui h THR 34 CO 0.01 0.23 0.43 -0.07 0.37 0.00 0.00 175.52 176.48 1wui h LEU 35 N 1.08 0.74 0.00 2.58 3.38 -0.99 0.55 115.31 122.65 1wui h LEU 35 Ca 0.28 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1wui h LEU 35 Cb -0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1wui h LEU 35 CO -0.05 0.53 -0.87 0.16 0.09 0.00 0.00 178.44 178.30 1wui h ILE 36 N 0.87 0.03 0.07 1.22 3.07 -0.92 -0.63 117.51 121.22 1wui h ILE 36 Ca 0.24 -1.05 -0.33 0.00 1.55 0.00 0.00 64.86 65.26 1wui h ILE 36 Cb -0.10 1.60 -0.03 0.00 -0.27 0.00 0.00 36.82 38.02 1wui h ILE 36 CO -0.05 0.01 -1.87 0.18 -1.05 0.00 0.00 178.15 175.37 1wui n LEU 37 N -2.75 1.87 -0.03 0.16 4.77 0.02 -4.59 117.00 116.45 1wui n LEU 37 Ca 0.00 0.30 -0.06 0.00 -0.03 0.00 0.00 56.01 56.22 1wui n LEU 37 Cb 0.56 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1wui n LEU 37 CO 0.39 0.65 -0.73 0.47 -1.33 0.00 0.00 177.39 176.84 1wui n ASP 38 N -3.29 1.69 0.07 -1.43 8.00 0.11 -4.84 116.55 116.84 1wui n ASP 38 Ca -0.25 0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.07 1wui n ASP 38 Cb 1.05 -0.17 -0.15 0.00 -0.02 0.00 0.00 41.12 41.84 1wui n ASP 38 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1wui h THR 39 N -0.15 1.36 -4.02 -3.53 2.02 -1.20 -3.48 112.91 103.90 1wui h THR 39 Ca -0.17 -2.55 -0.27 0.00 0.77 0.00 0.00 66.41 64.19 1wui h THR 39 Cb 1.19 3.08 -0.15 0.00 -1.74 0.00 0.00 68.15 70.52 1wui h THR 39 CO -0.07 0.74 -0.64 -0.76 0.37 0.00 0.00 175.52 175.15 1wui s LEU 40 N -7.75 1.79 -0.29 2.58 1.43 -0.26 -4.29 118.68 111.89 1wui s LEU 40 Ca -0.14 -1.26 -0.00 0.00 -1.03 0.00 0.00 54.13 51.70 1wui s LEU 40 Cb 0.02 0.10 0.06 0.00 0.03 0.00 0.00 46.19 46.40 1wui s LEU 40 CO 0.85 -0.68 -0.02 -0.55 0.23 0.00 0.00 176.35 176.17 1wui s SER 41 N -3.18 4.77 -0.74 2.29 0.15 0.07 -4.36 113.70 112.69 1wui s SER 41 Ca 0.30 -1.36 -0.23 0.00 0.70 0.00 0.00 55.95 55.35 1wui s SER 41 Cb 0.07 -1.66 0.07 0.00 -1.71 0.00 0.00 66.02 62.79 1wui s SER 41 CO 0.07 -0.25 1.07 -0.22 1.20 0.00 0.00 173.24 175.11 1wui s LEU 42 N 1.19 4.23 0.01 3.45 2.96 -1.26 -0.35 118.68 128.91 1wui s LEU 42 Ca -0.05 -1.10 0.22 0.00 -0.22 0.00 0.00 54.13 52.98 1wui s LEU 42 Cb -0.20 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 1wui s LEU 42 CO -0.03 -1.45 1.01 0.47 -1.32 0.00 0.00 176.35 175.03 1wui n ASP 43 N 7.88 0.74 -3.66 3.68 10.43 0.37 -4.82 116.55 131.17 1wui n ASP 43 Ca 0.04 -0.61 -0.09 0.00 2.57 0.00 0.00 54.79 56.70 1wui n ASP 43 Cb 0.47 0.87 -0.08 0.00 1.84 0.00 0.00 41.12 44.21 1wui n ASP 43 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1wui s TYR 44 N -3.08 -0.84 -0.30 1.24 5.04 -1.23 -4.66 117.35 113.53 1wui s TYR 44 Ca 0.07 1.76 -0.06 0.00 -2.44 0.00 0.00 57.07 56.40 1wui s TYR 44 Cb 0.16 0.44 0.19 0.00 0.35 0.00 0.00 41.96 43.10 1wui s TYR 44 CO 0.82 -0.43 0.86 -1.58 -1.34 0.00 0.00 175.55 173.89 1wui s HIS 45 N 1.33 -1.01 0.51 4.97 2.46 -1.26 -1.51 115.29 120.78 1wui s HIS 45 Ca -0.08 0.78 0.22 0.00 0.47 0.00 0.00 55.06 56.46 1wui s HIS 45 Cb -0.06 0.25 1.44 0.00 -0.13 0.00 0.00 32.58 34.08 1wui s HIS 45 CO -0.14 -0.58 2.14 0.93 -2.47 0.00 0.00 174.74 174.62 1wui h GLU 46 N 7.76 0.00 -0.29 2.88 5.08 -1.96 -1.32 114.58 126.74 1wui h GLU 46 Ca -0.11 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1wui h GLU 46 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1wui h GLU 46 CO 0.02 0.06 -0.33 1.15 -1.00 0.00 0.00 179.01 178.91 1wui h THR 47 N 0.00 1.29 0.00 1.13 2.02 -1.97 -3.37 112.91 112.00 1wui h THR 47 Ca -0.00 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.71 1wui h THR 47 Cb 0.13 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1wui h THR 47 CO 0.01 0.47 0.00 2.30 0.37 0.00 0.00 175.52 178.67 1wui n ILE 48 N -4.06 0.00 -2.44 3.11 -5.35 -1.01 -5.06 119.36 104.54 1wui n ILE 48 Ca -0.01 -0.42 -0.35 0.00 -0.27 0.00 0.00 62.75 61.70 1wui n ILE 48 Cb 0.48 1.02 -0.02 0.00 -1.74 0.00 0.00 39.64 39.37 1wui n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wui s MET 49 N -0.75 3.79 0.08 6.28 0.23 -0.53 -4.95 119.30 123.45 1wui s MET 49 Ca 0.00 1.52 -0.17 0.00 -1.03 0.00 0.00 55.69 56.01 1wui s MET 49 Cb 0.00 -2.23 -0.10 0.00 -1.53 0.00 0.00 34.83 30.97 1wui s MET 49 CO 0.00 -0.47 1.41 0.00 -2.03 0.00 0.00 175.02 173.93 1wui h ALA 50 N 1.79 0.36 -2.48 3.16 0.00 -1.96 -3.45 119.26 116.69 1wui h ALA 50 Ca -0.49 -0.36 -0.49 0.00 0.00 0.00 0.00 54.91 53.56 1wui h ALA 50 Cb 1.23 -0.08 0.06 0.00 0.00 0.00 0.00 17.79 19.00 1wui h ALA 50 CO 0.60 0.32 0.41 0.00 0.00 0.00 0.00 179.25 180.57 1wui s ALA 51 N -4.40 2.73 0.26 0.00 0.00 -1.26 -5.06 121.76 114.03 1wui s ALA 51 Ca -0.13 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.56 1wui s ALA 51 Cb 0.08 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1wui s ALA 51 CO 0.80 -0.69 0.04 0.00 0.00 0.00 0.00 175.76 175.91 1wui s ALA 52 N -1.94 1.94 0.00 0.00 0.00 -1.26 -4.53 121.76 115.96 1wui s ALA 52 Ca 0.70 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1wui s ALA 52 Cb -0.21 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1wui s ALA 52 CO 0.27 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1wui n GLY 53 N -0.50 3.01 0.36 0.00 0.00 -1.26 -2.22 105.19 104.58 1wui n GLY 53 Ca -0.03 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.70 1wui n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wui h ASP 54 N 8.21 0.78 -0.68 1.61 3.32 -1.98 -0.73 116.42 126.94 1wui h ASP 54 Ca 0.00 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1wui h ASP 54 Cb 0.00 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1wui h ASP 54 CO 0.00 0.51 0.30 0.00 -1.72 0.00 0.00 179.24 178.33 1wui h ALA 55 N 1.56 1.20 -0.36 3.45 0.00 -1.85 0.94 119.26 124.19 1wui h ALA 55 Ca 0.33 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1wui h ALA 55 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1wui h ALA 55 CO -0.11 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.71 1wui h ALA 56 N 1.32 0.49 -0.03 0.00 0.00 -0.79 -2.12 119.26 118.12 1wui h ALA 56 Ca 0.24 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1wui h ALA 56 Cb 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1wui h ALA 56 CO -0.02 0.28 -0.50 0.93 0.00 0.00 0.00 179.25 179.94 1wui h GLU 57 N 0.47 0.08 -0.46 0.00 4.39 -0.82 -0.98 114.58 117.26 1wui h GLU 57 Ca 0.10 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 1wui h GLU 57 Cb 0.50 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1wui h GLU 57 CO 0.02 0.56 -0.02 0.00 -1.16 0.00 0.00 179.01 178.41 1wui h ALA 58 N 1.43 1.10 -0.72 3.43 0.00 -0.72 -0.90 119.26 122.89 1wui h ALA 58 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1wui h ALA 58 Cb 0.90 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1wui h ALA 58 CO 0.07 0.57 0.47 0.00 0.00 0.00 0.00 179.25 180.36 1wui h ALA 59 N 1.26 0.91 -0.02 0.00 0.00 -0.75 -0.89 119.26 119.76 1wui h ALA 59 Ca 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wui h ALA 59 Cb 0.47 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1wui h ALA 59 CO 0.02 0.34 0.01 1.25 0.00 0.00 0.00 179.25 180.87 1wui h LEU 60 N 0.97 0.03 -0.49 0.00 5.85 -0.81 -1.78 115.31 119.07 1wui h LEU 60 Ca 0.26 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1wui h LEU 60 Cb -0.10 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1wui h LEU 60 CO -0.06 0.07 0.31 -0.08 -0.34 0.00 0.00 178.44 178.34 1wui h GLU 61 N -0.01 0.60 -0.77 1.25 4.22 -0.90 -0.28 114.58 118.69 1wui h GLU 61 Ca 0.01 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.45 1wui h GLU 61 Cb 0.04 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1wui h GLU 61 CO -0.00 0.40 0.49 0.37 -2.18 0.00 0.00 179.01 178.08 1wui h GLN 62 N 0.62 0.92 -0.13 1.92 4.15 -1.02 -1.80 115.11 119.77 1wui h GLN 62 Ca 0.19 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1wui h GLN 62 Cb -0.02 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 1wui h GLN 62 CO -0.07 0.61 0.03 0.00 -1.93 0.00 0.00 178.83 177.47 1wui h ALA 63 N 1.33 0.17 -0.08 3.38 0.00 -0.73 -3.04 119.26 120.29 1wui h ALA 63 Ca 0.31 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1wui h ALA 63 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wui h ALA 63 CO -0.12 -0.19 -0.27 0.28 0.00 0.00 0.00 179.25 178.95 1wui h VAL 64 N 0.00 1.23 -0.40 0.00 2.07 -0.87 -2.87 116.25 115.41 1wui h VAL 64 Ca 0.04 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1wui h VAL 64 Cb 0.26 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1wui h VAL 64 CO 0.00 0.32 0.00 0.59 0.02 0.00 0.00 177.57 178.50 1wui n ASN 65 N -4.17 2.87 -4.73 0.57 3.02 -0.69 -4.90 115.26 107.23 1wui n ASN 65 Ca -0.01 -1.93 -0.42 0.00 -0.03 0.00 0.00 54.58 52.19 1wui n ASN 65 Cb 0.36 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1wui n ASN 65 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wui s SER 66 N -1.33 6.76 0.10 6.41 0.15 -1.09 -4.87 113.70 119.83 1wui s SER 66 Ca 0.37 2.51 0.12 0.00 0.70 0.00 0.00 55.95 59.65 1wui s SER 66 Cb 0.20 -2.61 0.56 0.00 -1.71 0.00 0.00 66.02 62.47 1wui s SER 66 CO 0.28 -0.64 1.38 -0.81 1.20 0.00 0.00 173.24 174.65 1wui n PRO 67 N 2.89 0.06 0.15 5.44 -0.04 -1.26 -2.01 135.00 140.23 1wui n PRO 67 Ca 0.08 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 1wui n PRO 67 Cb 0.41 -1.64 0.26 0.00 -0.04 0.00 0.00 33.50 32.50 1wui n PRO 67 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wui h HIS 68 N 0.00 0.00 0.00 0.54 3.86 -1.91 -3.50 115.15 114.15 1wui h HIS 68 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1wui h HIS 68 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1wui h HIS 68 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1wui n GLY 69 N 1.21 -0.93 3.15 2.45 0.00 -0.85 -4.96 105.19 105.26 1wui n GLY 69 Ca 0.04 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.40 1wui n GLY 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wui s PHE 70 N -3.04 0.39 -0.16 1.61 -0.71 -1.26 -4.41 117.98 110.40 1wui s PHE 70 Ca 0.00 -0.87 -0.07 0.00 -1.04 0.00 0.00 56.93 54.95 1wui s PHE 70 Cb 0.00 -0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.52 1wui s PHE 70 CO 0.00 -0.47 0.10 0.42 -1.34 0.00 0.00 175.22 173.93 1wui s ILE 71 N -3.91 5.17 -0.18 -4.49 1.01 0.20 -0.51 121.20 118.48 1wui s ILE 71 Ca 0.08 0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 1wui s ILE 71 Cb 0.06 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.19 1wui s ILE 71 CO -0.09 0.52 0.12 0.00 0.00 0.00 0.00 174.94 175.50 1wui s ALA 72 N -0.24 3.69 -0.15 9.38 0.00 -0.32 -0.86 121.76 133.27 1wui s ALA 72 Ca 0.10 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1wui s ALA 72 Cb -0.12 -2.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 1wui s ALA 72 CO 0.01 0.26 -0.14 0.08 0.00 0.00 0.00 175.76 175.97 1wui s VAL 73 N 0.07 2.82 -0.13 0.00 1.01 -0.13 -0.51 120.40 123.54 1wui s VAL 73 Ca 0.09 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1wui s VAL 73 Cb -0.11 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.09 1wui s VAL 73 CO -0.01 0.52 -0.20 -0.69 0.00 0.00 0.00 175.10 174.72 1wui s VAL 74 N 0.65 1.87 -0.14 2.92 1.01 0.18 -0.93 120.40 125.96 1wui s VAL 74 Ca -0.08 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1wui s VAL 74 Cb -0.16 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1wui s VAL 74 CO 0.02 0.51 -0.09 -0.70 0.00 0.00 0.00 175.10 174.85 1wui s GLU 75 N 0.83 3.52 0.00 2.72 2.12 -0.11 -0.47 118.70 127.31 1wui s GLU 75 Ca -0.08 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.64 1wui s GLU 75 Cb -0.16 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.47 1wui s GLU 75 CO -0.01 0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.34 1wui n GLY 76 N 3.54 2.15 3.83 -1.50 0.00 -1.26 -0.44 105.19 111.51 1wui n GLY 76 Ca -0.18 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 1wui n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wui s GLY 77 N -0.03 1.79 -0.32 -0.02 0.00 -0.49 -3.47 107.32 104.77 1wui s GLY 77 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 44.72 44.71 1wui s GLY 77 CO 0.00 0.42 0.28 -0.42 0.00 0.00 0.00 173.10 173.38 1wui s ILE 78 N -2.92 5.25 -0.14 0.90 1.01 0.18 -0.90 121.20 124.58 1wui s ILE 78 Ca 0.59 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 1wui s ILE 78 Cb -0.14 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 1wui s ILE 78 CO 0.49 0.04 1.27 -2.16 0.00 0.00 0.00 174.94 174.59 1wui s PRO 79 N 1.85 4.25 -0.01 2.79 0.05 -1.26 -1.32 135.00 141.35 1wui s PRO 79 Ca 0.09 1.70 0.11 0.00 0.05 0.00 0.00 61.00 62.95 1wui s PRO 79 Cb -0.17 -3.73 -0.14 0.00 0.05 0.00 0.00 34.50 30.51 1wui s PRO 79 CO 0.11 -0.66 0.39 0.25 0.05 0.00 0.00 177.00 177.13 1wui n THR 80 N 5.22 0.00 -1.67 1.26 -2.24 -0.33 -4.23 114.28 112.29 1wui n THR 80 Ca 0.13 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 1wui n THR 80 Cb 0.45 0.73 0.07 0.00 -2.10 0.00 0.00 70.33 69.49 1wui n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wui s ALA 81 N -2.29 2.31 -1.46 6.98 0.00 -0.43 -3.17 121.76 123.70 1wui s ALA 81 Ca 0.01 1.11 -0.07 0.00 0.00 0.00 0.00 51.96 53.02 1wui s ALA 81 Cb 0.08 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.72 1wui s ALA 81 CO 0.46 -1.65 0.74 0.00 0.00 0.00 0.00 175.76 175.30 1wui n ALA 82 N -2.11 -1.67 -2.57 0.00 0.00 -1.26 -1.06 120.51 111.84 1wui n ALA 82 Ca 0.15 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.34 1wui n ALA 82 Cb 0.49 -2.87 -0.00 0.00 0.00 0.00 0.00 19.45 17.07 1wui n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wui n ASN 83 N -2.91 -5.47 0.00 0.00 4.05 -1.21 -2.67 115.26 107.04 1wui n ASN 83 Ca -0.14 -0.04 0.00 0.00 0.45 0.00 0.00 54.58 54.85 1wui n ASN 83 Cb 0.61 -4.54 0.00 0.00 1.23 0.00 0.00 39.78 37.07 1wui n ASN 83 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wui n GLY 84 N -1.08 0.77 0.05 8.20 0.00 -0.23 -4.95 105.19 107.95 1wui n GLY 84 Ca -0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.92 1wui n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wui n ILE 85 N -2.10 0.85 0.39 -0.61 -6.64 -1.09 -2.85 119.36 107.32 1wui n ILE 85 Ca 0.00 0.20 0.12 0.00 -1.77 0.00 0.00 62.75 61.30 1wui n ILE 85 Cb 0.00 -1.00 0.48 0.00 -1.44 0.00 0.00 39.64 37.69 1wui n ILE 85 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 1wui n TYR 86 N -1.76 0.76 -3.67 4.28 4.01 -1.26 -4.55 117.16 114.96 1wui n TYR 86 Ca 0.03 0.30 -0.19 0.00 -0.16 0.00 0.00 57.90 57.88 1wui n TYR 86 Cb 0.21 -0.98 -0.17 0.00 -0.31 0.00 0.00 39.34 38.08 1wui n TYR 86 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1wui s GLY 87 N -3.51 0.18 0.03 2.72 0.00 -1.13 -5.05 107.32 100.54 1wui s GLY 87 Ca 0.04 0.26 0.03 0.00 0.00 0.00 0.00 44.72 45.05 1wui s GLY 87 CO 0.38 1.41 -0.09 0.54 0.00 0.00 0.00 173.10 175.34 1wui s LYS 88 N 2.15 0.61 -0.07 2.90 1.02 -1.26 -1.05 119.74 124.03 1wui s LYS 88 Ca 0.04 -0.61 0.03 0.00 0.02 0.00 0.00 55.97 55.45 1wui s LYS 88 Cb -0.12 -0.50 0.01 0.00 -0.52 0.00 0.00 37.83 36.70 1wui s LYS 88 CO -0.03 0.12 -0.14 0.08 -0.92 0.00 0.00 175.35 174.45 1wui s VAL 89 N -0.90 1.28 -1.37 3.17 1.01 -0.35 -4.75 120.40 118.49 1wui s VAL 89 Ca -0.04 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 1wui s VAL 89 Cb -0.07 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1wui s VAL 89 CO 0.01 0.39 0.42 0.00 0.00 0.00 0.00 175.10 175.92 1wui n ALA 90 N 3.76 -0.96 -1.59 5.51 0.00 -1.26 -1.38 120.51 124.58 1wui n ALA 90 Ca -0.22 0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 1wui n ALA 90 Cb 0.52 -2.93 -0.06 0.00 0.00 0.00 0.00 19.45 16.97 1wui n ALA 90 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wui n ASN 91 N -2.28 -4.97 -4.58 0.00 4.05 -1.26 -5.01 115.26 101.22 1wui n ASN 91 Ca -0.08 0.35 -0.33 0.00 0.45 0.00 0.00 54.58 54.97 1wui n ASN 91 Cb 0.59 -3.94 -0.11 0.00 1.23 0.00 0.00 39.78 37.55 1wui n ASN 91 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1wui s HIS 92 N -2.64 2.88 0.59 1.20 3.76 -0.48 -5.08 115.29 115.52 1wui s HIS 92 Ca 0.00 -0.03 -0.18 0.00 -0.15 0.00 0.00 55.06 54.69 1wui s HIS 92 Cb 0.00 -1.63 -0.03 0.00 1.11 0.00 0.00 32.58 32.02 1wui s HIS 92 CO 0.00 0.35 1.15 0.95 -0.85 0.00 0.00 174.74 176.34 1wui s THR 93 N -0.93 2.98 0.38 1.30 -4.23 -1.26 -1.21 115.64 112.67 1wui s THR 93 Ca 0.15 0.57 0.06 0.00 -1.18 0.00 0.00 61.69 61.29 1wui s THR 93 Cb -0.11 -3.18 0.23 0.00 1.34 0.00 0.00 72.50 70.78 1wui s THR 93 CO 0.05 -0.17 2.00 0.24 -0.54 0.00 0.00 174.62 176.20 1wui h MET 94 N 0.78 0.55 -0.46 3.99 2.86 -1.31 -0.15 114.93 121.19 1wui h MET 94 Ca -0.49 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.11 1wui h MET 94 Cb 1.27 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.79 1wui h MET 94 CO 0.55 0.43 0.26 1.25 1.06 0.00 0.00 176.91 180.47 1wui h LEU 95 N 0.55 0.42 -0.11 1.22 5.85 -1.83 -0.53 115.31 120.88 1wui h LEU 95 Ca 0.14 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1wui h LEU 95 Cb 0.06 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1wui h LEU 95 CO -0.02 0.30 -0.01 -0.78 -0.34 0.00 0.00 178.44 177.59 1wui h ASP 96 N 0.53 0.19 -0.00 1.25 3.58 -1.77 -0.19 116.42 120.00 1wui h ASP 96 Ca 0.19 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1wui h ASP 96 Cb 0.04 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 1wui h ASP 96 CO -0.10 0.47 0.00 0.40 -2.88 0.00 0.00 179.24 177.13 1wui h ILE 97 N -0.09 1.02 -0.32 2.25 2.04 -0.79 -1.07 117.51 120.54 1wui h ILE 97 Ca 0.03 -0.05 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 1wui h ILE 97 Cb 0.37 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1wui h ILE 97 CO 0.01 0.01 -0.21 0.00 0.00 0.00 0.00 178.15 177.96 1wui h SER 99 N 0.54 0.43 0.22 0.00 0.02 -0.69 -0.66 113.55 113.41 1wui h SER 99 Ca 0.08 -0.07 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1wui h SER 99 Cb 0.67 -0.11 0.03 0.00 0.14 0.00 0.00 62.40 63.12 1wui h SER 99 CO 0.05 0.50 -1.43 0.03 -1.14 0.00 0.00 176.83 174.84 1wui h ARG 100 N 0.44 0.46 0.04 3.45 3.08 -0.84 -3.40 114.38 117.62 1wui h ARG 100 Ca 0.10 -0.79 -0.18 0.00 0.07 0.00 0.00 59.98 59.17 1wui h ARG 100 Cb 0.30 0.30 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1wui h ARG 100 CO 0.01 1.38 -0.97 0.82 -1.07 0.00 0.00 179.97 180.14 1wui h ILE 101 N 0.03 1.20 -0.78 2.04 2.04 -0.99 -3.40 117.51 117.64 1wui h ILE 101 Ca -0.26 -2.30 -0.01 0.00 1.00 0.00 0.00 64.86 63.29 1wui h ILE 101 Cb 2.06 2.71 -0.04 0.00 -0.74 0.00 0.00 36.82 40.81 1wui h ILE 101 CO 0.23 0.53 0.46 -0.07 0.00 0.00 0.00 178.15 179.30 1wui h LEU 102 N -0.76 0.94 -1.93 1.44 3.38 -1.34 -0.99 115.31 116.06 1wui h LEU 102 Ca -0.24 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1wui h LEU 102 Cb 1.38 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1wui h LEU 102 CO -0.06 0.73 0.00 -0.65 0.09 0.00 0.00 178.44 178.55 1wui h PRO 103 N 1.08 0.00 0.00 1.13 0.11 -1.77 -2.16 132.00 130.39 1wui h PRO 103 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1wui h PRO 103 Cb -0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1wui h PRO 103 CO -0.05 0.00 -0.30 1.63 -0.21 0.00 0.00 178.00 179.06 1wui n LYS 104 N -2.68 0.20 -2.46 1.05 5.02 -0.38 -4.93 118.16 113.98 1wui n LYS 104 Ca -0.01 0.10 -0.35 0.00 -2.02 0.00 0.00 58.31 56.04 1wui n LYS 104 Cb 0.11 -1.67 -0.02 0.00 -0.02 0.00 0.00 35.03 33.43 1wui n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wui s ALA 105 N -3.10 2.85 0.30 7.82 0.00 -0.82 -4.78 121.76 124.03 1wui s ALA 105 Ca 0.10 0.69 0.07 0.00 0.00 0.00 0.00 51.96 52.81 1wui s ALA 105 Cb 0.14 -3.29 0.47 0.00 0.00 0.00 0.00 23.12 20.45 1wui s ALA 105 CO 0.65 -0.44 1.71 1.96 0.00 0.00 0.00 175.76 179.64 1wui h GLN 106 N 1.57 0.24 -2.56 0.00 1.08 -1.14 -3.45 115.11 110.85 1wui h GLN 106 Ca -0.50 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 56.50 1wui h GLN 106 Cb 1.23 -0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.45 1wui h GLN 106 CO 0.59 0.60 -0.08 0.00 -0.95 0.00 0.00 178.83 178.99 1wui s ALA 107 N -4.17 -1.23 -0.06 3.87 0.00 -1.25 -5.05 121.76 113.86 1wui s ALA 107 Ca -0.04 0.93 0.05 0.00 0.00 0.00 0.00 51.96 52.89 1wui s ALA 107 Cb 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 1wui s ALA 107 CO 0.77 -0.29 -0.22 0.08 0.00 0.00 0.00 175.76 176.10 1wui s VAL 108 N -0.90 1.85 -0.19 0.00 1.01 -1.26 -1.17 120.40 119.73 1wui s VAL 108 Ca -0.09 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1wui s VAL 108 Cb -0.03 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1wui s VAL 108 CO 0.05 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 174.92 1wui s ILE 109 N 0.05 2.73 -0.35 2.22 1.01 0.34 -1.06 121.20 126.14 1wui s ILE 109 Ca -0.08 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.64 1wui s ILE 109 Cb -0.14 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.13 1wui s ILE 109 CO 0.05 0.48 0.69 0.00 0.00 0.00 0.00 174.94 176.16 1wui s ALA 110 N 1.30 3.47 -0.27 9.38 0.00 0.27 -0.65 121.76 135.26 1wui s ALA 110 Ca 0.04 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 1wui s ALA 110 Cb -0.14 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.77 1wui s ALA 110 CO -0.07 -1.33 0.02 -0.47 0.00 0.00 0.00 175.76 173.91 1wui s TYR 111 N 2.83 3.10 0.00 0.00 5.04 0.38 -0.99 117.35 127.71 1wui s TYR 111 Ca 0.27 -1.16 0.00 0.00 -2.44 0.00 0.00 57.07 53.74 1wui s TYR 111 Cb -0.14 -2.17 0.00 0.00 0.35 0.00 0.00 41.96 40.00 1wui s TYR 111 CO 0.15 -0.62 0.00 0.41 -1.34 0.00 0.00 175.55 174.15 1wui n GLY 112 N 4.79 2.21 0.38 8.97 0.00 0.26 -4.33 105.19 117.48 1wui n GLY 112 Ca -0.16 -1.75 0.16 0.00 0.00 0.00 0.00 46.02 44.28 1wui n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1wui h THR 113 N 0.00 0.77 0.03 2.61 2.02 -1.26 0.20 112.91 117.28 1wui h THR 113 Ca 0.00 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1wui h THR 113 Cb 0.00 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1wui h THR 113 CO 0.00 0.07 -0.02 0.00 0.37 0.00 0.00 175.52 175.95 1wui h ALA 115 N 0.86 0.96 -0.04 0.00 0.00 -1.29 0.04 119.26 119.79 1wui h ALA 115 Ca -0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1wui h ALA 115 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1wui h ALA 115 CO 0.01 0.61 -0.26 1.79 0.00 0.00 0.00 179.25 181.39 1wui h THR 116 N 0.46 1.47 0.00 0.00 1.35 -0.91 0.83 112.91 116.11 1wui h THR 116 Ca 0.05 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 1wui h THR 116 Cb 0.80 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1wui h THR 116 CO 0.06 0.49 0.00 0.49 -0.25 0.00 0.00 175.52 176.32 1wui n PHE 117 N -4.49 0.00 0.00 4.73 3.72 0.17 -4.34 117.46 117.25 1wui n PHE 117 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1wui n PHE 117 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1wui n PHE 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wui n GLY 118 N 0.35 3.03 7.00 1.37 0.00 -0.00 -4.03 105.19 112.91 1wui n GLY 118 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1wui n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wui n GLY 119 N 0.00 0.39 0.29 -0.02 0.00 -1.19 -3.66 105.19 101.00 1wui n GLY 119 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 1wui n GLY 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wui h VAL 120 N 0.00 1.25 0.00 1.61 3.04 -1.94 -0.33 116.25 119.89 1wui h VAL 120 Ca 0.00 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 1wui h VAL 120 Cb 0.00 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 1wui h VAL 120 CO 0.00 0.35 0.00 0.06 -1.01 0.00 0.00 177.57 176.97 1wui h GLN 121 N 0.90 0.00 -0.00 4.17 -0.00 -1.94 -2.32 115.11 115.92 1wui h GLN 121 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 1wui h GLN 121 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 1wui h GLN 121 CO 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 178.83 178.64 1wui n ALA 122 N -1.82 2.88 -1.38 0.06 0.00 -0.15 -4.47 120.51 115.64 1wui n ALA 122 Ca 0.02 -0.25 -0.34 0.00 0.00 0.00 0.00 53.44 52.87 1wui n ALA 122 Cb 0.27 -1.30 0.08 0.00 0.00 0.00 0.00 19.45 18.50 1wui n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wui s ALA 123 N -2.76 2.18 0.30 0.00 0.00 -0.88 -4.41 121.76 116.19 1wui s ALA 123 Ca 0.20 0.81 -0.29 0.00 0.00 0.00 0.00 51.96 52.68 1wui s ALA 123 Cb 0.19 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.74 1wui s ALA 123 CO 0.55 -1.77 1.37 1.63 0.00 0.00 0.00 175.76 177.55 1wui n LYS 124 N -2.68 2.17 -0.75 0.00 5.02 -1.26 -0.20 118.16 120.46 1wui n LYS 124 Ca 0.13 0.77 0.07 0.00 -2.02 0.00 0.00 58.31 57.25 1wui n LYS 124 Cb 0.51 -2.40 0.35 0.00 -0.02 0.00 0.00 35.03 33.47 1wui n LYS 124 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1wui n PRO 125 N 1.28 4.28 -3.55 1.97 -0.04 -1.26 -4.99 135.00 132.70 1wui n PRO 125 Ca 0.08 -2.74 -0.26 0.00 -0.04 0.00 0.00 63.50 60.54 1wui n PRO 125 Cb 0.34 -2.12 0.04 0.00 -0.04 0.00 0.00 33.50 31.73 1wui n PRO 125 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wui n ASN 126 N 0.63 -5.79 0.26 3.54 4.05 0.72 -4.84 115.26 113.83 1wui n ASN 126 Ca 0.24 -0.88 0.11 0.00 0.45 0.00 0.00 54.58 54.50 1wui n ASN 126 Cb 1.04 -3.82 0.72 0.00 1.23 0.00 0.00 39.78 38.94 1wui n ASN 126 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1wui h PRO 127 N -1.47 0.00 -0.26 1.20 0.13 -1.83 -2.05 132.00 127.71 1wui h PRO 127 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1wui h PRO 127 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1wui h PRO 127 CO 0.45 0.08 0.00 0.25 -0.23 0.00 0.00 178.00 178.55 1wui n THR 128 N -4.03 0.33 -3.57 1.56 -2.24 -1.26 -4.88 114.28 100.19 1wui n THR 128 Ca -0.03 -0.55 -0.26 0.00 -2.27 0.00 0.00 64.05 60.95 1wui n THR 128 Cb 0.17 0.75 0.05 0.00 -2.10 0.00 0.00 70.33 69.20 1wui n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wui n GLY 129 N 1.33 -0.52 3.74 3.38 0.00 -0.77 -1.31 105.19 111.03 1wui n GLY 129 Ca 0.18 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 1wui n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wui s ALA 130 N -3.25 3.74 0.07 4.61 0.00 -1.26 -1.18 121.76 124.49 1wui s ALA 130 Ca 0.54 1.43 0.03 0.00 0.00 0.00 0.00 51.96 53.97 1wui s ALA 130 Cb -0.26 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 1wui s ALA 130 CO 0.67 -0.84 -0.10 0.15 0.00 0.00 0.00 175.76 175.65 1wui s LYS 131 N 0.21 0.72 0.96 0.00 1.02 -0.44 -4.64 119.74 117.57 1wui s LYS 131 Ca 0.65 -0.98 -0.11 0.00 0.02 0.00 0.00 55.97 55.55 1wui s LYS 131 Cb -0.45 -0.47 0.17 0.00 -0.52 0.00 0.00 37.83 36.55 1wui s LYS 131 CO 0.40 0.08 1.09 0.20 -0.92 0.00 0.00 175.35 176.20 1wui s GLY 132 N -2.02 1.62 0.10 -3.33 0.00 -1.26 -0.65 107.32 101.78 1wui s GLY 132 Ca -0.01 0.11 -0.23 0.00 0.00 0.00 0.00 44.72 44.59 1wui s GLY 132 CO 0.00 0.63 1.72 -2.08 0.00 0.00 0.00 173.10 173.37 1wui h VAL 133 N -1.87 0.88 -0.24 1.40 2.07 -1.02 0.27 116.25 117.75 1wui h VAL 133 Ca -0.50 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.90 1wui h VAL 133 Cb 1.29 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1wui h VAL 133 CO 0.50 0.00 -0.34 0.78 0.02 0.00 0.00 177.57 178.53 1wui h ASN 134 N -0.06 0.53 0.37 0.57 2.35 -1.82 -0.64 115.58 116.88 1wui h ASN 134 Ca 0.03 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 1wui h ASN 134 Cb 0.10 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1wui h ASN 134 CO -0.06 0.84 -0.18 -0.78 -1.65 0.00 0.00 177.43 175.60 1wui h ASP 135 N 0.44 -0.42 -0.88 5.81 3.58 -1.83 -1.23 116.42 121.89 1wui h ASP 135 Ca 0.05 -0.10 0.09 0.00 0.42 0.00 0.00 57.03 57.49 1wui h ASP 135 Cb 0.80 0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.90 1wui h ASP 135 CO 0.07 -0.14 0.57 0.00 -2.88 0.00 0.00 179.24 176.86 1wui h ALA 136 N -0.18 1.62 -0.14 -0.78 0.00 -0.73 -3.16 119.26 115.89 1wui h ALA 136 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wui h ALA 136 Cb 0.50 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wui h ALA 136 CO 0.08 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.82 1wui n LEU 137 N -4.52 3.12 -0.14 0.00 4.77 -0.27 -4.70 117.00 115.26 1wui n LEU 137 Ca 0.15 -2.98 0.11 0.00 -0.03 0.00 0.00 56.01 53.25 1wui n LEU 137 Cb 0.28 -0.47 0.44 0.00 -2.33 0.00 0.00 43.42 41.35 1wui n LEU 137 CO 0.32 0.69 1.20 0.07 -1.33 0.00 0.00 177.39 178.33 1wui h LYS 138 N 0.96 0.53 0.00 3.23 2.10 -1.19 -0.31 116.57 121.90 1wui h LYS 138 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1wui h LYS 138 Cb 1.20 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1wui h LYS 138 CO 0.11 0.35 0.00 1.12 -2.00 0.00 0.00 179.45 179.03 1wui h HIS 139 N 0.55 0.00 -0.26 0.07 2.07 -1.86 -1.66 115.15 114.05 1wui h HIS 139 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 1wui h HIS 139 Cb 0.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.50 1wui h HIS 139 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 1wui n LEU 140 N -2.69 3.24 0.00 6.12 4.77 -0.13 -4.97 117.00 123.33 1wui n LEU 140 Ca 0.01 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 1wui n LEU 140 Cb 0.26 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1wui n LEU 140 CO 0.23 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1wui n GLY 141 N 1.38 0.77 3.70 -0.72 0.00 -0.62 -4.91 105.19 104.79 1wui n GLY 141 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1wui n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wui s VAL 142 N -2.98 3.42 -0.42 1.61 1.01 -1.22 -4.97 120.40 116.85 1wui s VAL 142 Ca 0.00 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.93 1wui s VAL 142 Cb 0.00 -3.60 0.14 0.00 0.00 0.00 0.00 36.38 32.93 1wui s VAL 142 CO 0.00 0.03 0.25 -0.54 0.00 0.00 0.00 175.10 174.84 1wui s LYS 143 N 1.83 1.09 0.26 2.72 1.02 -1.26 -4.61 119.74 120.79 1wui s LYS 143 Ca 0.66 -1.87 -0.29 0.00 0.02 0.00 0.00 55.97 54.48 1wui s LYS 143 Cb -0.35 -2.00 -0.09 0.00 -0.52 0.00 0.00 37.83 34.87 1wui s LYS 143 CO 0.29 -1.20 1.00 0.00 -0.92 0.00 0.00 175.35 174.52 1wui s ALA 144 N 0.47 3.35 0.09 5.17 0.00 -1.26 -4.71 121.76 124.86 1wui s ALA 144 Ca 0.19 0.71 -0.31 0.00 0.00 0.00 0.00 51.96 52.56 1wui s ALA 144 Cb -0.21 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 1wui s ALA 144 CO -0.02 0.07 1.52 0.42 0.00 0.00 0.00 175.76 177.75 1wui s ILE 145 N -1.21 3.15 -0.32 0.00 1.01 -0.22 -4.76 121.20 118.85 1wui s ILE 145 Ca 0.43 0.71 -0.13 0.00 0.00 0.00 0.00 60.65 61.66 1wui s ILE 145 Cb -0.28 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1wui s ILE 145 CO 0.35 0.02 0.28 0.20 0.00 0.00 0.00 174.94 175.79 1wui s ASN 146 N 1.72 6.11 -0.52 3.58 0.01 0.01 -0.57 114.94 125.28 1wui s ASN 146 Ca 0.69 -0.18 -0.05 0.00 -0.71 0.00 0.00 52.86 52.61 1wui s ASN 146 Cb -0.38 -2.16 0.14 0.00 0.41 0.00 0.00 41.25 39.25 1wui s ASN 146 CO 0.30 -0.21 0.35 -0.63 -1.51 0.00 0.00 177.10 175.41 1wui s ILE 147 N 1.86 3.85 0.55 0.60 -1.09 -0.16 -3.92 121.20 122.89 1wui s ILE 147 Ca 0.09 -2.27 -0.05 0.00 -2.23 0.00 0.00 60.65 56.19 1wui s ILE 147 Cb -0.17 -3.54 -0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1wui s ILE 147 CO 0.11 -0.80 0.84 0.00 -1.23 0.00 0.00 174.94 173.87 1wui s ALA 148 N 0.79 3.39 0.00 9.38 0.00 -1.26 -0.57 121.76 133.48 1wui s ALA 148 Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1wui s ALA 148 Cb -0.22 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1wui s ALA 148 CO -0.03 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1wui n GLY 149 N -2.45 3.69 2.27 0.00 0.00 -1.25 -4.30 105.19 103.16 1wui n GLY 149 Ca 0.03 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 1wui n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wui s PRO 151 N -1.62 2.65 1.02 0.00 0.04 -1.26 -5.07 135.00 130.76 1wui s PRO 151 Ca 0.37 -0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.11 1wui s PRO 151 Cb 0.17 -2.27 0.20 0.00 0.04 0.00 0.00 34.50 32.64 1wui s PRO 151 CO -0.08 -0.86 1.07 -2.14 0.04 0.00 0.00 177.00 175.03 1wui s PRO 152 N -5.04 0.21 0.02 0.56 0.02 -1.11 -4.97 135.00 124.69 1wui s PRO 152 Ca 0.56 0.90 -0.30 0.00 0.02 0.00 0.00 61.00 62.18 1wui s PRO 152 Cb -0.11 -1.68 -0.06 0.00 0.02 0.00 0.00 34.50 32.67 1wui s PRO 152 CO 0.44 -2.98 1.50 1.21 -0.33 0.00 0.00 177.00 176.84 1wui s ASN 153 N -2.94 6.76 0.59 2.53 3.84 -1.26 -4.91 114.94 119.55 1wui s ASN 153 Ca 0.66 2.24 0.36 0.00 0.21 0.00 0.00 52.86 56.34 1wui s ASN 153 Cb -0.22 -2.56 1.83 0.00 -0.55 0.00 0.00 41.25 39.76 1wui s ASN 153 CO 0.60 -0.79 2.17 1.55 -2.79 0.00 0.00 177.10 177.85 1wui h PRO 154 N 8.08 0.00 -0.99 0.43 0.13 -1.93 -0.08 132.00 137.64 1wui h PRO 154 Ca -0.39 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.96 1wui h PRO 154 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1wui h PRO 154 CO 0.92 0.03 0.63 -0.92 -0.23 0.00 0.00 178.00 178.42 1wui h TYR 155 N 0.00 0.81 -0.00 1.56 3.20 -1.93 -1.60 116.97 119.00 1wui h TYR 155 Ca -0.00 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.71 1wui h TYR 155 Cb 0.25 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1wui h TYR 155 CO 0.00 0.15 -0.84 -0.91 -1.64 0.00 0.00 178.16 174.92 1wui h ASN 156 N 0.55 0.24 0.14 -2.11 2.35 -1.39 -0.38 115.58 114.98 1wui h ASN 156 Ca 0.56 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 1wui h ASN 156 Cb 1.17 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1wui h ASN 156 CO -0.31 0.97 -0.07 0.25 -1.65 0.00 0.00 177.43 176.63 1wui h LEU 157 N 0.11 -0.16 -0.45 1.61 5.85 -1.44 -2.33 115.31 118.50 1wui h LEU 157 Ca -0.04 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1wui h LEU 157 Cb 1.46 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 1wui h LEU 157 CO 0.13 0.24 0.29 0.58 -0.34 0.00 0.00 178.44 179.34 1wui h VAL 158 N -0.59 1.09 -0.68 1.05 2.07 -1.33 -0.61 116.25 117.26 1wui h VAL 158 Ca -0.02 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1wui h VAL 158 Cb 0.45 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1wui h VAL 158 CO 0.03 0.11 0.37 1.23 0.02 0.00 0.00 177.57 179.33 1wui h GLY 159 N 0.59 1.01 0.86 2.17 0.00 -1.11 0.23 103.07 106.82 1wui h GLY 159 Ca 0.17 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1wui h GLY 159 CO -0.05 0.43 -0.04 -0.84 0.00 0.00 0.00 176.54 176.04 1wui h THR 160 N 0.95 1.27 -0.47 4.70 2.02 -0.92 -1.38 112.91 119.09 1wui h THR 160 Ca 0.24 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 1wui h THR 160 Cb 0.03 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1wui h THR 160 CO -0.04 0.33 0.28 0.40 0.37 0.00 0.00 175.52 176.86 1wui h ILE 161 N 0.27 1.15 -0.65 3.11 2.04 -0.70 -0.94 117.51 121.79 1wui h ILE 161 Ca 0.07 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1wui h ILE 161 Cb 0.50 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1wui h ILE 161 CO 0.02 0.15 0.33 0.58 0.00 0.00 0.00 178.15 179.24 1wui h VAL 162 N 0.62 1.21 -0.13 1.67 2.07 -0.93 0.68 116.25 121.45 1wui h VAL 162 Ca 0.17 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1wui h VAL 162 Cb 0.00 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1wui h VAL 162 CO -0.03 0.24 0.01 0.22 0.02 0.00 0.00 177.57 178.03 1wui h TYR 163 N 0.89 0.02 -0.77 1.57 5.03 -0.95 -1.01 116.97 121.75 1wui h TYR 163 Ca 0.23 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.53 1wui h TYR 163 Cb 0.08 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.33 1wui h TYR 163 CO -0.00 0.00 0.42 -0.92 -1.32 0.00 0.00 178.16 176.34 1wui h TYR 164 N 0.06 1.06 -0.47 -3.82 3.20 -0.63 -0.14 116.97 116.22 1wui h TYR 164 Ca 0.06 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1wui h TYR 164 Cb 0.06 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 1wui h TYR 164 CO -0.13 0.74 0.01 -0.07 -1.64 0.00 0.00 178.16 177.07 1wui h LEU 165 N 1.07 0.75 -0.08 2.82 3.38 -0.63 0.47 115.31 123.09 1wui h LEU 165 Ca 0.27 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1wui h LEU 165 Cb 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1wui h LEU 165 CO -0.04 0.81 -0.34 0.50 0.09 0.00 0.00 178.44 179.46 1wui h LYS 166 N 0.73 0.37 0.00 1.13 3.64 -0.85 -3.36 116.57 118.23 1wui h LYS 166 Ca 0.14 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1wui h LYS 166 Cb 0.44 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1wui h LYS 166 CO 0.02 0.93 -1.16 0.09 -2.27 0.00 0.00 179.45 177.06 1wui n ASN 167 N -4.40 0.81 -1.84 4.20 3.02 -0.10 -4.97 115.26 111.99 1wui n ASN 167 Ca -0.08 -0.78 -0.17 0.00 -0.03 0.00 0.00 54.58 53.52 1wui n ASN 167 Cb 0.51 1.19 -0.02 0.00 -0.61 0.00 0.00 39.78 40.85 1wui n ASN 167 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wui n LYS 168 N -1.63 -1.35 -3.50 3.52 4.01 0.17 -4.95 118.16 114.42 1wui n LYS 168 Ca 0.02 0.90 -0.11 0.00 -0.51 0.00 0.00 58.31 58.62 1wui n LYS 168 Cb 0.36 -5.32 -0.02 0.00 -0.51 0.00 0.00 35.03 29.55 1wui n LYS 168 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wui s ALA 169 N -2.82 -1.58 0.51 7.82 0.00 -1.24 -5.07 121.76 119.38 1wui s ALA 169 Ca 0.00 0.43 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 1wui s ALA 169 Cb 0.00 0.81 -0.06 0.00 0.00 0.00 0.00 23.12 23.87 1wui s ALA 169 CO 0.00 -0.81 1.15 0.00 0.00 0.00 0.00 175.76 176.10 1wui s ALA 170 N -3.68 2.82 1.10 0.00 0.00 -1.26 -4.10 121.76 116.64 1wui s ALA 170 Ca 0.03 0.89 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 1wui s ALA 170 Cb -0.02 -3.38 0.24 0.00 0.00 0.00 0.00 23.12 19.97 1wui s ALA 170 CO -0.09 -0.74 1.09 -1.25 0.00 0.00 0.00 175.76 174.77 1wui s PRO 171 N -3.01 -0.39 0.20 0.00 0.04 -1.26 -4.94 135.00 125.64 1wui s PRO 171 Ca 0.69 0.30 -0.32 0.00 0.04 0.00 0.00 61.00 61.71 1wui s PRO 171 Cb -0.26 -1.66 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 1wui s PRO 171 CO 0.31 -3.23 1.54 -1.91 0.04 0.00 0.00 177.00 173.74 1wui n GLU 172 N -4.49 2.22 -4.55 4.56 2.13 -1.26 -4.92 120.64 114.33 1wui n GLU 172 Ca 0.08 0.80 -0.30 0.00 0.66 0.00 0.00 57.16 58.39 1wui n GLU 172 Cb 0.58 -2.54 -0.12 0.00 0.27 0.00 0.00 31.44 29.63 1wui n GLU 172 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wui s LEU 173 N 0.52 2.60 0.00 4.31 1.43 -1.26 -1.20 118.68 125.08 1wui s LEU 173 Ca 0.73 -0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 53.24 1wui s LEU 173 Cb -0.64 -1.50 0.15 0.00 0.03 0.00 0.00 46.19 44.23 1wui s LEU 173 CO 0.42 0.23 0.89 -0.90 0.23 0.00 0.00 176.35 177.22 1wui n ASP 174 N 1.30 0.14 0.00 2.29 5.68 0.52 -4.83 116.55 121.64 1wui n ASP 174 Ca -0.16 -1.36 0.08 0.00 -0.50 0.00 0.00 54.79 52.85 1wui n ASP 174 Cb 0.52 -0.67 0.38 0.00 -1.14 0.00 0.00 41.12 40.21 1wui n ASP 174 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1wui n SER 175 N -3.53 0.00 -1.46 -1.12 3.41 -1.26 -0.78 113.62 108.88 1wui n SER 175 Ca 0.11 0.38 0.10 0.00 -0.26 0.00 0.00 58.87 59.20 1wui n SER 175 Cb 0.39 -0.44 0.34 0.00 -0.26 0.00 0.00 64.21 64.24 1wui n SER 175 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wui n LEU 176 N -1.44 4.43 -1.33 1.04 4.77 -1.26 -4.95 117.00 118.25 1wui n LEU 176 Ca 0.05 -2.31 -0.14 0.00 -0.03 0.00 0.00 56.01 53.58 1wui n LEU 176 Cb 0.18 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1wui n LEU 176 CO 0.15 0.86 -0.16 -3.20 -1.33 0.00 0.00 177.39 173.71 1wui n ASN 177 N 1.21 -4.47 -4.88 -1.43 5.15 0.04 -4.67 115.26 106.21 1wui n ASN 177 Ca 0.25 0.16 -0.37 0.00 -0.60 0.00 0.00 54.58 54.02 1wui n ASN 177 Cb 0.79 -3.42 -0.06 0.00 -0.53 0.00 0.00 39.78 36.56 1wui n ASN 177 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1wui s ARG 178 N -3.96 3.49 0.12 1.20 0.52 -1.25 -0.81 118.95 118.26 1wui s ARG 178 Ca 0.00 -0.09 -0.31 0.00 -0.52 0.00 0.00 55.73 54.81 1wui s ARG 178 Cb 0.00 -3.18 -0.10 0.00 0.52 0.00 0.00 34.95 32.19 1wui s ARG 178 CO 0.00 0.75 1.85 -2.14 0.02 0.00 0.00 175.30 175.78 1wui s PRO 179 N -1.16 4.14 0.58 3.54 0.02 -1.26 -0.36 135.00 140.50 1wui s PRO 179 Ca 0.18 2.60 0.35 0.00 0.02 0.00 0.00 61.00 64.15 1wui s PRO 179 Cb -0.13 -3.65 1.80 0.00 0.02 0.00 0.00 34.50 32.54 1wui s PRO 179 CO 0.07 -0.86 2.17 1.79 -0.33 0.00 0.00 177.00 179.84 1wui h THR 180 N 4.79 0.25 0.00 0.99 1.35 -1.48 -0.41 112.91 118.40 1wui h THR 180 Ca -0.46 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1wui h THR 180 Cb 1.22 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1wui h THR 180 CO 0.95 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 176.26 1wui h MET 181 N 0.00 0.00 0.00 4.72 -0.00 -1.89 -2.08 114.93 115.67 1wui h MET 181 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 1wui h MET 181 Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.82 1wui h MET 181 CO 0.01 0.00 -1.24 1.19 -0.00 0.00 0.00 176.91 176.86 1wui n PHE 182 N -2.53 0.00 -0.73 -0.10 3.72 -0.84 -4.78 117.46 112.21 1wui n PHE 182 Ca 0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.48 1wui n PHE 182 Cb 0.22 -0.17 0.19 0.00 -0.94 0.00 0.00 39.48 38.77 1wui n PHE 182 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1wui n PHE 183 N -2.14 0.56 0.90 1.38 3.72 -0.22 -3.43 117.46 118.23 1wui n PHE 183 Ca -0.06 -0.78 0.14 0.00 -0.05 0.00 0.00 57.45 56.70 1wui n PHE 183 Cb 0.61 -0.19 0.53 0.00 -0.94 0.00 0.00 39.48 39.49 1wui n PHE 183 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wui n GLY 184 N -0.45 -1.53 3.33 1.37 0.00 -0.79 -4.59 105.19 102.52 1wui n GLY 184 Ca 0.16 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1wui n GLY 184 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wui s GLN 185 N -3.03 1.39 0.61 1.61 -0.21 -1.26 -5.08 119.66 113.69 1wui s GLN 185 Ca 0.13 -1.18 -0.18 0.00 0.02 0.00 0.00 55.36 54.15 1wui s GLN 185 Cb 0.17 -1.70 -0.03 0.00 1.00 0.00 0.00 33.01 32.45 1wui s GLN 185 CO 0.56 0.41 1.17 0.95 -2.12 0.00 0.00 175.29 176.27 1wui s THR 186 N -0.99 2.82 0.21 -0.19 -4.23 -1.26 -2.57 115.64 109.43 1wui s THR 186 Ca 0.10 0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 60.99 1wui s THR 186 Cb -0.10 -3.13 0.16 0.00 1.34 0.00 0.00 72.50 70.77 1wui s THR 186 CO 0.04 -0.14 1.70 0.58 -0.54 0.00 0.00 174.62 176.26 1wui h VAL 187 N 0.70 0.64 -0.92 2.29 2.07 -0.94 -3.02 116.25 117.08 1wui h VAL 187 Ca -0.49 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1wui h VAL 187 Cb 1.28 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1wui h VAL 187 CO 0.55 0.05 0.54 -0.74 0.02 0.00 0.00 177.57 177.98 1wui h HIS 188 N 0.26 1.23 0.00 1.57 -0.00 -1.71 -1.92 115.15 114.57 1wui h HIS 188 Ca 0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.67 1wui h HIS 188 Cb 0.46 -0.40 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 1wui h HIS 188 CO -0.25 0.83 0.00 1.05 -0.00 0.00 0.00 177.93 179.56 1wui h GLU 189 N 1.27 0.00 -0.02 5.26 4.11 -1.83 -1.91 114.58 121.46 1wui h GLU 189 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.76 1wui h GLU 189 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1wui h GLU 189 CO -0.06 0.00 -0.19 1.04 0.07 0.00 0.00 179.01 179.87 1wui n GLN 190 N -2.39 1.86 -2.84 1.06 6.02 -0.75 -5.01 117.38 115.33 1wui n GLN 190 Ca 0.01 -1.53 -0.40 0.00 -0.01 0.00 0.00 57.00 55.07 1wui n GLN 190 Cb 0.22 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 29.96 1wui n GLN 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wui h PRO 192 N 5.38 0.00 -0.02 0.00 0.11 -1.92 -2.10 132.00 133.45 1wui h PRO 192 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1wui h PRO 192 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1wui h PRO 192 CO 0.71 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.04 1wui n ARG 193 N -2.99 1.40 -0.34 1.05 1.74 -1.26 -4.37 116.66 111.90 1wui n ARG 193 Ca -0.02 -0.59 0.07 0.00 -0.77 0.00 0.00 57.85 56.55 1wui n ARG 193 Cb 0.13 -1.47 0.24 0.00 -1.02 0.00 0.00 32.46 30.33 1wui n ARG 193 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1wui h LEU 194 N 1.40 0.82 -1.42 0.55 5.85 -1.67 -0.18 115.31 120.66 1wui h LEU 194 Ca 0.00 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1wui h LEU 194 Cb 0.30 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1wui h LEU 194 CO 0.00 0.41 0.32 -0.65 -0.34 0.00 0.00 178.44 178.18 1wui h PRO 195 N 0.89 0.71 -0.39 5.25 0.11 -1.84 -0.50 132.00 136.23 1wui h PRO 195 Ca 0.49 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.50 1wui h PRO 195 Cb 0.55 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1wui h PRO 195 CO -0.29 0.49 0.08 0.45 -0.21 0.00 0.00 178.00 178.52 1wui h HIS 196 N 0.72 0.66 -0.37 0.65 3.86 -1.36 -2.34 115.15 116.98 1wui h HIS 196 Ca 0.19 -0.09 0.08 0.00 -1.16 0.00 0.00 60.37 59.39 1wui h HIS 196 Cb -0.03 -0.18 -0.08 0.00 1.06 0.00 0.00 27.41 28.17 1wui h HIS 196 CO 0.00 0.66 -0.15 0.35 0.86 0.00 0.00 177.93 179.65 1wui h PHE 197 N 0.48 -0.37 -0.53 2.45 3.04 -0.90 0.64 116.94 121.76 1wui h PHE 197 Ca 0.12 0.04 0.04 0.00 3.98 0.00 0.00 57.97 62.15 1wui h PHE 197 Cb 0.34 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.04 1wui h PHE 197 CO 0.02 -0.23 0.35 -0.44 -2.02 0.00 0.00 178.31 175.99 1wui h ASP 198 N -0.08 0.49 -0.05 0.41 3.32 -0.99 -1.25 116.42 118.26 1wui h ASP 198 Ca 0.18 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1wui h ASP 198 Cb 0.36 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1wui h ASP 198 CO -0.43 0.33 0.00 0.00 -1.72 0.00 0.00 179.24 177.43 1wui n ALA 199 N -2.48 2.58 -2.50 3.45 0.00 -0.73 -4.92 120.51 115.90 1wui n ALA 199 Ca 0.06 -0.41 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 1wui n ALA 199 Cb 0.17 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.42 1wui n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wui n GLY 200 N 1.11 -0.28 3.32 0.00 0.00 -0.47 -4.96 105.19 103.90 1wui n GLY 200 Ca 0.19 -0.16 -0.47 0.00 0.00 0.00 0.00 46.02 45.58 1wui n GLY 200 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wui s GLU 201 N -5.04 3.40 -0.04 1.61 2.02 0.11 -5.02 118.70 115.75 1wui s GLU 201 Ca 0.09 -2.21 0.04 0.00 0.02 0.00 0.00 54.97 52.91 1wui s GLU 201 Cb -0.04 -4.39 -0.03 0.00 0.10 0.00 0.00 34.13 29.78 1wui s GLU 201 CO 0.11 -1.31 -0.16 -0.06 0.02 0.00 0.00 175.26 173.86 1wui s PHE 202 N 0.65 2.66 0.09 1.61 0.08 -1.26 -1.75 117.98 120.05 1wui s PHE 202 Ca 0.13 -0.19 -0.31 0.00 0.12 0.00 0.00 56.93 56.68 1wui s PHE 202 Cb -0.17 -1.61 -0.08 0.00 -0.57 0.00 0.00 43.02 40.60 1wui s PHE 202 CO -0.05 0.16 1.44 0.00 -0.10 0.00 0.00 175.22 176.68 1wui s ALA 203 N -0.72 3.62 -0.90 5.36 0.00 -0.20 -4.86 121.76 124.06 1wui s ALA 203 Ca 0.11 1.11 0.26 0.00 0.00 0.00 0.00 51.96 53.44 1wui s ALA 203 Cb -0.11 -3.58 0.66 0.00 0.00 0.00 0.00 23.12 20.10 1wui s ALA 203 CO 0.00 -0.75 1.54 -0.35 0.00 0.00 0.00 175.76 176.20 1wui n PRO 204 N 4.43 0.09 -3.50 0.00 -0.04 -1.26 -4.40 135.00 130.33 1wui n PRO 204 Ca 0.13 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.53 1wui n PRO 204 Cb 0.42 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 1wui n PRO 204 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wui s SER 205 N -3.40 -0.43 0.36 3.54 1.04 -1.26 -4.95 113.70 108.60 1wui s SER 205 Ca 0.11 -0.04 0.17 0.00 0.48 0.00 0.00 55.95 56.67 1wui s SER 205 Cb 0.17 0.48 0.62 0.00 0.10 0.00 0.00 66.02 67.38 1wui s SER 205 CO 0.66 -0.78 1.71 -0.26 0.98 0.00 0.00 173.24 175.55 1wui h PHE 206 N 2.00 0.00 0.00 5.02 0.04 -1.98 -2.94 116.94 119.08 1wui h PHE 206 Ca -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1wui h PHE 206 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1wui h PHE 206 CO 0.26 0.42 -0.00 -0.85 -0.60 0.00 0.00 178.31 177.54 1wui n GLU 207 N -3.61 0.05 -1.51 1.51 0.00 -1.26 -4.71 120.64 111.11 1wui n GLU 207 Ca -0.00 0.04 -0.32 0.00 0.00 0.00 0.00 57.16 56.87 1wui n GLU 207 Cb 0.52 -1.55 0.07 0.00 0.00 0.00 0.00 31.44 30.48 1wui n GLU 207 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1wui s SER 208 N -3.26 4.81 0.39 -1.84 1.04 -1.11 -4.87 113.70 108.85 1wui s SER 208 Ca 0.13 1.91 0.08 0.00 0.48 0.00 0.00 55.95 58.55 1wui s SER 208 Cb 0.18 -2.54 0.79 0.00 0.10 0.00 0.00 66.02 64.56 1wui s SER 208 CO 0.54 -1.83 1.95 -0.33 0.98 0.00 0.00 173.24 174.55 1wui h GLU 209 N -0.55 0.35 -0.74 4.02 4.39 -1.92 -1.19 114.58 118.94 1wui h GLU 209 Ca -0.45 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.16 1wui h GLU 209 Cb 1.24 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1wui h GLU 209 CO 0.53 0.39 0.34 0.93 -1.16 0.00 0.00 179.01 180.04 1wui h GLU 210 N 0.34 1.07 -0.58 2.33 3.07 -1.91 -0.24 114.58 118.65 1wui h GLU 210 Ca 0.08 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.72 1wui h GLU 210 Cb 0.25 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1wui h GLU 210 CO 0.01 0.84 0.17 0.00 -1.40 0.00 0.00 179.01 178.63 1wui h ALA 211 N 1.17 0.77 -0.84 3.43 0.00 -1.61 -1.31 119.26 120.87 1wui h ALA 211 Ca 0.25 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1wui h ALA 211 Cb 0.14 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1wui h ALA 211 CO -0.03 0.44 0.51 -0.09 0.00 0.00 0.00 179.25 180.08 1wui h ARG 212 N 0.83 0.87 -0.00 0.00 2.43 -0.55 -1.22 114.38 116.74 1wui h ARG 212 Ca 0.19 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1wui h ARG 212 Cb 0.30 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1wui h ARG 212 CO -0.00 0.58 0.00 1.63 -1.51 0.00 0.00 179.97 180.66 1wui n LYS 213 N -4.67 1.03 -1.38 0.20 5.02 -0.17 -4.91 118.16 113.28 1wui n LYS 213 Ca 0.13 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1wui n LYS 213 Cb 0.21 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1wui n LYS 213 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wui n GLY 214 N 0.85 0.56 3.69 0.72 0.00 -0.46 -5.05 105.19 105.50 1wui n GLY 214 Ca 0.16 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1wui n GLY 214 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wui s TRP 215 N -2.00 2.15 0.45 1.61 0.52 -0.54 -4.86 118.94 116.28 1wui s TRP 215 Ca 0.00 1.20 -0.24 0.00 0.02 0.00 0.00 56.10 57.07 1wui s TRP 215 Cb 0.00 -3.19 -0.08 0.00 -1.15 0.00 0.00 33.47 29.05 1wui s TRP 215 CO 0.00 -2.67 1.30 0.00 0.02 0.00 0.00 176.95 175.60 1wui n LEU 217 N -0.26 3.51 -0.24 0.00 4.77 -1.26 -1.04 117.00 122.48 1wui n LEU 217 Ca 0.06 -1.76 -0.06 0.00 -0.03 0.00 0.00 56.01 54.22 1wui n LEU 217 Cb 0.44 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1wui n LEU 217 CO 0.54 0.77 1.12 0.22 -1.33 0.00 0.00 177.39 178.71 1wui h TYR 218 N 3.49 0.89 0.00 -1.77 5.03 -1.91 -1.44 116.97 121.27 1wui h TYR 218 Ca 0.00 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 1wui h TYR 218 Cb 0.96 -0.29 -0.00 0.00 1.55 0.00 0.00 36.73 38.94 1wui h TYR 218 CO 0.49 0.61 -0.14 1.49 -1.32 0.00 0.00 178.16 179.28 1wui h GLU 219 N 0.92 0.00 -0.53 1.82 4.81 -1.82 -1.36 114.58 118.42 1wui h GLU 219 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1wui h GLU 219 Cb -0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1wui h GLU 219 CO -0.05 0.14 0.00 1.28 -0.73 0.00 0.00 179.01 179.65 1wui n LEU 220 N -3.68 2.64 0.00 1.64 4.77 -0.60 -4.56 117.00 117.21 1wui n LEU 220 Ca -0.02 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 1wui n LEU 220 Cb 0.26 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1wui n LEU 220 CO 0.31 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1wui n GLY 221 N 0.85 0.79 3.68 -0.72 0.00 -0.52 -4.30 105.19 104.97 1wui n GLY 221 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 1wui n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wui n LYS 223 N 4.71 2.57 -0.34 0.00 4.76 -0.26 -4.53 118.16 125.07 1wui n LYS 223 Ca 0.18 -2.34 0.18 0.00 -2.87 0.00 0.00 58.31 53.46 1wui n LYS 223 Cb 0.31 -1.53 0.40 0.00 -1.84 0.00 0.00 35.03 32.37 1wui n LYS 223 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1wui h GLY 224 N 4.57 1.93 2.00 0.72 0.00 -1.89 -1.07 103.07 109.34 1wui h GLY 224 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1wui h GLY 224 CO 0.02 -0.28 0.00 -2.55 0.00 0.00 0.00 176.54 173.73 1wui h PRO 225 N 0.55 0.00 0.00 4.80 0.11 -1.95 -2.56 132.00 132.95 1wui h PRO 225 Ca 0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.77 1wui h PRO 225 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1wui h PRO 225 CO -0.49 0.00 -0.01 1.33 -0.21 0.00 0.00 178.00 178.62 1wui n VAL 226 N -2.74 1.54 -4.73 3.15 0.24 -0.42 -4.92 118.33 110.45 1wui n VAL 226 Ca -0.01 -1.78 -0.26 0.00 -2.04 0.00 0.00 64.34 60.24 1wui n VAL 226 Cb 0.13 0.03 -0.17 0.00 -1.47 0.00 0.00 33.84 32.36 1wui n VAL 226 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wui s THR 227 N -2.17 1.35 -0.30 3.34 2.01 -1.11 -4.98 115.64 113.78 1wui s THR 227 Ca 0.20 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 1wui s THR 227 Cb 0.18 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1wui s THR 227 CO 0.02 0.40 0.20 -0.04 -0.69 0.00 0.00 174.62 174.51 1wui s MET 228 N 0.59 3.72 0.06 4.92 -1.94 -1.26 -0.65 119.30 124.74 1wui s MET 228 Ca -0.16 -0.48 -0.28 0.00 -1.71 0.00 0.00 55.69 53.07 1wui s MET 228 Cb -0.16 -3.70 0.09 0.00 2.01 0.00 0.00 34.83 33.07 1wui s MET 228 CO 0.05 -0.30 1.14 1.21 -0.01 0.00 0.00 175.02 177.11 1wui s ASN 229 N 1.73 -0.11 -0.15 3.03 3.04 -1.06 -4.78 114.94 116.64 1wui s ASN 229 Ca 0.06 -0.27 0.16 0.00 0.04 0.00 0.00 52.86 52.86 1wui s ASN 229 Cb -0.17 0.31 0.50 0.00 -1.54 0.00 0.00 41.25 40.35 1wui s ASN 229 CO 0.10 -0.57 1.40 -0.46 -3.04 0.00 0.00 177.10 174.53 1wui n ASN 230 N -0.51 3.76 -0.17 -4.21 2.04 -1.22 -3.99 115.26 110.96 1wui n ASN 230 Ca -0.07 -2.84 -0.02 0.00 -0.44 0.00 0.00 54.58 51.21 1wui n ASN 230 Cb 0.62 -0.49 0.07 0.00 -2.53 0.00 0.00 39.78 37.45 1wui n ASN 230 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1wui h PRO 232 N 0.29 0.00 0.00 0.00 0.11 -1.88 0.36 132.00 130.88 1wui h PRO 232 Ca 0.26 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.25 1wui h PRO 232 Cb 0.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1wui h PRO 232 CO -0.31 0.19 -0.70 -0.22 -0.21 0.00 0.00 178.00 176.75 1wui h LYS 233 N 0.00 0.00 0.03 1.05 3.64 -1.67 -3.39 116.57 116.23 1wui h LYS 233 Ca -0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 1wui h LYS 233 Cb 0.66 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1wui h LYS 233 CO 0.03 0.78 -1.48 0.82 -2.27 0.00 0.00 179.45 177.32 1wui h ILE 234 N -1.00 1.15 -3.24 2.00 1.08 -1.40 -3.51 117.51 112.59 1wui h ILE 234 Ca -0.18 -2.91 0.39 0.00 -0.39 0.00 0.00 64.86 61.78 1wui h ILE 234 Cb 1.00 2.62 -0.10 0.00 -3.07 0.00 0.00 36.82 37.27 1wui h ILE 234 CO -0.11 0.72 -0.55 0.29 -0.69 0.00 0.00 178.15 177.82 1wui n LYS 235 N -3.25 -2.94 -4.80 2.37 5.02 0.12 -4.70 118.16 109.98 1wui n LYS 235 Ca -0.13 1.96 -0.32 0.00 -2.02 0.00 0.00 58.31 57.80 1wui n LYS 235 Cb 1.02 -3.58 -0.13 0.00 -0.02 0.00 0.00 35.03 32.32 1wui n LYS 235 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1wui s PHE 236 N -2.29 2.66 -1.58 2.13 0.08 0.31 -4.69 117.98 114.60 1wui s PHE 236 Ca 0.00 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 56.86 1wui s PHE 236 Cb 0.00 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 1wui s PHE 236 CO 0.00 0.21 0.00 0.09 -0.10 0.00 0.00 175.22 175.42 1wui n ASN 237 N 2.00 -4.94 -1.54 1.36 4.13 -1.26 -1.10 115.26 113.91 1wui n ASN 237 Ca -0.17 0.17 -0.18 0.00 1.68 0.00 0.00 54.58 56.09 1wui n ASN 237 Cb 0.52 -4.22 -0.06 0.00 -1.54 0.00 0.00 39.78 34.49 1wui n ASN 237 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wui n GLN 238 N -2.71 -1.28 0.00 3.52 3.00 -1.26 -4.75 117.38 113.89 1wui n GLN 238 Ca -0.20 1.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 1wui n GLN 238 Cb 0.63 -5.37 0.00 0.00 0.00 0.00 0.00 30.24 25.50 1wui n GLN 238 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1wui n THR 239 N -2.89 0.00 -3.88 5.09 5.66 -0.26 -5.10 114.28 112.90 1wui n THR 239 Ca -0.19 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.73 1wui n THR 239 Cb 0.60 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.37 1wui n THR 239 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1wui s ASN 240 N -0.52 -0.13 0.22 1.09 3.84 -0.86 -4.95 114.94 113.63 1wui s ASN 240 Ca 0.00 -0.82 -0.20 0.00 0.21 0.00 0.00 52.86 52.06 1wui s ASN 240 Cb 0.00 0.73 0.03 0.00 -0.55 0.00 0.00 41.25 41.47 1wui s ASN 240 CO 0.00 -1.39 0.60 -1.66 -2.79 0.00 0.00 177.10 171.86 1wui s TRP 241 N -3.54 -0.23 0.18 0.43 1.48 -1.26 -0.53 118.94 115.47 1wui s TRP 241 Ca 0.15 -0.12 -0.19 0.00 -1.06 0.00 0.00 56.10 54.87 1wui s TRP 241 Cb -0.05 0.53 0.12 0.00 -1.16 0.00 0.00 33.47 32.91 1wui s TRP 241 CO 0.09 -1.01 1.62 -1.35 -4.06 0.00 0.00 176.95 172.24 1wui h PRO 242 N 2.09 -0.13 -0.48 3.25 0.11 -1.95 -1.85 132.00 133.04 1wui h PRO 242 Ca -0.27 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 1wui h PRO 242 Cb 1.27 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1wui h PRO 242 CO 0.33 -0.09 0.00 0.28 -0.21 0.00 0.00 178.00 178.31 1wui h VAL 243 N -0.14 1.24 0.00 3.15 2.07 -1.85 -1.10 116.25 119.62 1wui h VAL 243 Ca 0.22 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1wui h VAL 243 Cb 0.47 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1wui h VAL 243 CO -0.54 0.36 -0.00 0.44 0.02 0.00 0.00 177.57 177.84 1wui h ASP 244 N 0.75 0.00 -0.26 0.57 3.32 -1.67 0.68 116.42 119.81 1wui h ASP 244 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1wui h ASP 244 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1wui h ASP 244 CO 0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 1wui n ALA 245 N -2.09 2.48 -0.72 3.45 0.00 -0.50 -4.93 120.51 118.20 1wui n ALA 245 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1wui n ALA 245 Cb 0.24 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1wui n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wui n GLY 246 N 1.08 0.73 3.46 0.00 0.00 0.23 -5.05 105.19 105.64 1wui n GLY 246 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1wui n GLY 246 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wui s HIS 247 N -2.57 2.66 0.67 1.61 5.65 -0.73 -4.98 115.29 117.60 1wui s HIS 247 Ca 0.00 -0.19 -0.17 0.00 0.25 0.00 0.00 55.06 54.94 1wui s HIS 247 Cb 0.00 -1.60 0.00 0.00 -1.18 0.00 0.00 32.58 29.80 1wui s HIS 247 CO 0.00 0.18 1.29 -0.35 -0.65 0.00 0.00 174.74 175.21 1wui n PRO 248 N 2.22 1.02 -1.79 2.88 -0.04 -1.26 -2.86 135.00 135.16 1wui n PRO 248 Ca -0.17 0.41 -0.41 0.00 -0.04 0.00 0.00 63.50 63.29 1wui n PRO 248 Cb 0.52 -2.53 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 1wui n PRO 248 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wui n ILE 250 N 1.05 0.59 -1.51 0.00 -5.35 -1.26 -1.10 119.36 111.78 1wui n ILE 250 Ca 0.03 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 1wui n ILE 250 Cb 0.39 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 1wui n ILE 250 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wui n GLY 251 N 1.10 0.66 0.00 3.28 0.00 -1.26 -4.85 105.19 104.12 1wui n GLY 251 Ca 0.15 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1wui n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wui n SER 253 N -1.29 3.52 -4.76 0.00 3.41 -1.26 -3.62 113.62 109.60 1wui n SER 253 Ca 0.11 -1.99 -0.30 0.00 -0.26 0.00 0.00 58.87 56.43 1wui n SER 253 Cb 0.20 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.67 1wui n SER 253 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1wui s GLU 254 N -1.18 2.84 0.44 4.33 0.41 -0.68 -4.54 118.70 120.34 1wui s GLU 254 Ca 0.44 -0.70 -0.25 0.00 -0.41 0.00 0.00 54.97 54.04 1wui s GLU 254 Cb 0.23 -2.71 -0.08 0.00 -1.78 0.00 0.00 34.13 29.79 1wui s GLU 254 CO 0.31 0.56 1.40 -1.25 -0.49 0.00 0.00 175.26 175.79 1wui s PRO 255 N -2.37 3.73 -1.86 0.39 0.04 -1.26 -2.85 135.00 130.81 1wui s PRO 255 Ca 0.29 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1wui s PRO 255 Cb -0.12 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1wui s PRO 255 CO 0.21 -0.77 0.00 -3.47 0.04 0.00 0.00 177.00 173.02 1wui n ASP 256 N -0.15 -5.83 0.16 6.66 4.64 -1.26 -4.84 116.55 115.93 1wui n ASP 256 Ca 0.05 0.08 0.01 0.00 -1.38 0.00 0.00 54.79 53.55 1wui n ASP 256 Cb 0.42 -4.90 0.27 0.00 -1.04 0.00 0.00 41.12 35.87 1wui n ASP 256 CO 0.00 0.00 0.00 2.19 -0.82 0.00 0.00 177.20 178.57 1wui h PHE 257 N 0.00 0.03 -0.70 -0.67 -5.15 -1.82 0.72 116.94 109.35 1wui h PHE 257 Ca -0.48 -0.01 0.12 0.00 -0.20 0.00 0.00 57.97 57.40 1wui h PHE 257 Cb 1.36 -0.01 -0.05 0.00 0.22 0.00 0.00 35.95 37.48 1wui h PHE 257 CO 0.57 0.49 0.46 -1.49 -2.00 0.00 0.00 178.31 176.34 1wui h TRP 258 N 0.02 0.52 0.00 6.09 4.06 -1.88 0.48 115.95 125.24 1wui h TRP 258 Ca -0.00 0.01 -0.32 0.00 2.06 0.00 0.00 58.89 60.64 1wui h TRP 258 Cb 0.85 -0.17 -0.06 0.00 -1.00 0.00 0.00 29.16 28.78 1wui h TRP 258 CO 0.00 0.23 -2.26 -0.25 -3.56 0.00 0.00 178.44 172.60 1wui n ASP 259 N -4.48 0.39 0.06 -3.49 8.00 -0.71 -4.22 116.55 112.10 1wui n ASP 259 Ca 0.12 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.56 1wui n ASP 259 Cb 0.43 1.01 -0.11 0.00 -0.02 0.00 0.00 41.12 42.43 1wui n ASP 259 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wui h ALA 260 N 0.97 0.38 -0.02 2.24 0.00 -0.67 -3.34 119.26 118.83 1wui h ALA 260 Ca -0.48 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.53 1wui h ALA 260 Cb 2.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1wui h ALA 260 CO 0.03 1.23 -0.30 -1.33 0.00 0.00 0.00 179.25 178.88 1wui n MET 261 N -3.34 1.62 -3.31 0.00 2.81 0.14 -4.94 117.12 110.10 1wui n MET 261 Ca -0.00 -1.33 -0.30 0.00 -1.81 0.00 0.00 57.70 54.26 1wui n MET 261 Cb 0.93 -1.46 -0.04 0.00 -0.71 0.00 0.00 33.22 31.94 1wui n MET 261 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1wui s THR 262 N -2.27 4.97 0.32 2.03 -4.23 -1.25 -3.64 115.64 111.57 1wui s THR 262 Ca 0.22 0.25 -0.29 0.00 -1.18 0.00 0.00 61.69 60.69 1wui s THR 262 Cb 0.18 -3.69 -0.11 0.00 1.34 0.00 0.00 72.50 70.22 1wui s THR 262 CO 0.46 -0.26 1.46 -2.84 -0.54 0.00 0.00 174.62 172.91 1wui s PRO 263 N -3.34 4.20 0.50 3.99 0.02 -1.26 -5.01 135.00 134.11 1wui s PRO 263 Ca 0.46 2.44 0.18 0.00 0.02 0.00 0.00 61.00 64.10 1wui s PRO 263 Cb -0.11 -3.03 1.27 0.00 0.02 0.00 0.00 34.50 32.64 1wui s PRO 263 CO 0.27 -0.46 2.10 0.74 -0.33 0.00 0.00 177.00 179.33 1wui h PHE 264 N 3.96 0.00 -0.50 6.54 0.04 -1.93 -2.60 116.94 122.46 1wui h PHE 264 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1wui h PHE 264 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 1wui h PHE 264 CO 0.57 0.07 0.00 0.66 -0.60 0.00 0.00 178.31 179.01 1wui n TYR 265 N -4.30 0.96 -4.47 -0.55 4.01 -1.26 -4.29 117.16 107.26 1wui n TYR 265 Ca -0.03 -0.41 -0.28 0.00 -0.16 0.00 0.00 57.90 57.02 1wui n TYR 265 Cb 0.15 -0.12 -0.13 0.00 -0.31 0.00 0.00 39.34 38.93 1wui n TYR 265 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1wui s GLN 266 N -1.59 1.43 0.00 -0.72 -0.21 -0.98 -3.51 119.66 114.08 1wui s GLN 266 Ca 0.37 -1.28 0.00 0.00 0.02 0.00 0.00 55.36 54.47 1wui s GLN 266 Cb 0.22 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.40 1wui s GLN 266 CO 0.20 0.44 0.23 0.09 -2.12 0.00 0.00 175.29 174.14