#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p91 n PHE 3 N 0.00 -1.23 -3.69 0.66 3.01 -1.26 -1.73 117.46 113.22 1p91 n PHE 3 Ca 0.00 0.11 -0.18 0.00 1.01 0.00 0.00 57.45 58.40 1p91 n PHE 3 Cb 0.00 -1.67 -0.17 0.00 -0.01 0.00 0.00 39.48 37.63 1p91 n PHE 3 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1p91 s SER 4 N -2.06 0.74 -0.49 4.37 0.15 0.55 -3.33 113.70 113.63 1p91 s SER 4 Ca 0.60 0.19 -0.44 0.00 0.70 0.00 0.00 55.95 57.00 1p91 s SER 4 Cb -0.18 0.05 -0.19 0.00 -1.71 0.00 0.00 66.02 64.00 1p91 s SER 4 CO 0.66 -0.22 1.91 0.00 1.20 0.00 0.00 173.24 176.78 1p91 n PRO 6 N 6.14 0.24 0.00 0.00 -0.02 -1.26 -1.67 135.00 138.44 1p91 n PRO 6 Ca 0.46 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1p91 n PRO 6 Cb -0.05 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1p91 n PRO 6 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1p91 n LEU 7 N -0.79 0.00 -0.61 2.45 4.77 -1.26 -4.84 117.00 116.72 1p91 n LEU 7 Ca 0.03 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1p91 n LEU 7 Cb 0.02 -0.07 0.35 0.00 -2.33 0.00 0.00 43.42 41.38 1p91 n LEU 7 CO 0.03 -0.48 0.76 0.00 -1.33 0.00 0.00 177.39 176.37 1p91 n HIS 9 N 0.44 -0.88 -3.50 0.00 8.25 -0.67 -4.96 115.22 113.90 1p91 n HIS 9 Ca 0.16 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.42 1p91 n HIS 9 Cb 0.35 -3.44 -0.02 0.00 1.12 0.00 0.00 29.99 28.00 1p91 n HIS 9 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1p91 s GLN 10 N -4.63 2.56 1.16 -0.41 -1.52 -1.26 -4.66 119.66 110.90 1p91 s GLN 10 Ca 0.00 -1.52 -0.17 0.00 -1.95 0.00 0.00 55.36 51.72 1p91 s GLN 10 Cb 0.00 -2.42 0.19 0.00 -0.22 0.00 0.00 33.01 30.56 1p91 s GLN 10 CO 0.00 -0.22 0.36 -0.35 -0.25 0.00 0.00 175.29 174.83 1p91 n PRO 11 N -1.60 -2.16 -4.23 2.91 -0.04 -1.26 0.10 135.00 128.73 1p91 n PRO 11 Ca 0.04 -0.61 -0.24 0.00 -0.04 0.00 0.00 63.50 62.65 1p91 n PRO 11 Cb 0.61 -1.84 -0.17 0.00 -0.04 0.00 0.00 33.50 32.07 1p91 n PRO 11 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1p91 s LEU 12 N -3.40 1.35 -0.29 1.53 1.43 -1.21 -4.43 118.68 113.67 1p91 s LEU 12 Ca 0.60 -0.23 -0.26 0.00 -1.03 0.00 0.00 54.13 53.20 1p91 s LEU 12 Cb -0.16 -0.69 0.01 0.00 0.03 0.00 0.00 46.19 45.38 1p91 s LEU 12 CO 0.64 -0.05 0.92 -0.94 0.23 0.00 0.00 176.35 177.15 1p91 s SER 13 N 1.10 6.84 -0.80 2.29 1.04 0.56 -4.80 113.70 119.92 1p91 s SER 13 Ca -0.07 0.95 -0.21 0.00 0.48 0.00 0.00 55.95 57.10 1p91 s SER 13 Cb -0.14 -2.47 0.10 0.00 0.10 0.00 0.00 66.02 63.60 1p91 s SER 13 CO -0.01 -0.69 1.05 -0.60 0.98 0.00 0.00 173.24 173.97 1p91 s ARG 14 N 3.19 3.37 -0.43 4.02 3.52 -1.26 -2.85 118.95 128.51 1p91 s ARG 14 Ca 0.38 -1.32 0.02 0.00 -0.13 0.00 0.00 55.73 54.69 1p91 s ARG 14 Cb -0.14 -4.62 0.12 0.00 -1.56 0.00 0.00 34.95 28.75 1p91 s ARG 14 CO 0.12 -1.80 0.18 -1.21 -0.81 0.00 0.00 175.30 171.77 1p91 s GLU 15 N 3.37 1.82 0.00 5.12 2.02 -1.02 -4.95 118.70 125.06 1p91 s GLU 15 Ca 0.28 -2.17 0.00 0.00 0.02 0.00 0.00 54.97 53.10 1p91 s GLU 15 Cb -0.11 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.77 1p91 s GLU 15 CO -0.01 -1.04 0.00 1.17 0.02 0.00 0.00 175.26 175.41 1p91 n LYS 16 N 3.88 0.00 -2.76 1.61 0.00 -1.26 -3.71 118.16 115.91 1p91 n LYS 16 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.35 1p91 n LYS 16 Cb 0.38 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.47 1p91 n LYS 16 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1p91 n ASN 17 N 3.06 1.22 -3.63 3.14 2.04 -1.26 -5.11 115.26 114.72 1p91 n ASN 17 Ca 0.00 -2.04 -0.01 0.00 -0.44 0.00 0.00 54.58 52.09 1p91 n ASN 17 Cb 0.00 -0.35 -0.00 0.00 -2.53 0.00 0.00 39.78 36.90 1p91 n ASN 17 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1p91 s SER 18 N -3.45 -0.09 0.01 0.53 1.04 -1.24 -4.71 113.70 105.79 1p91 s SER 18 Ca 0.25 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.32 1p91 s SER 18 Cb 0.33 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 1p91 s SER 18 CO -0.05 -0.70 -0.05 -0.31 0.98 0.00 0.00 173.24 173.11 1p91 s TYR 19 N -2.69 0.41 0.17 5.02 1.51 0.08 -2.44 117.35 119.43 1p91 s TYR 19 Ca 0.16 -0.24 -0.20 0.00 -1.01 0.00 0.00 57.07 55.78 1p91 s TYR 19 Cb 0.00 -0.26 0.05 0.00 -0.11 0.00 0.00 41.96 41.64 1p91 s TYR 19 CO 0.01 -0.05 0.56 0.42 -1.11 0.00 0.00 175.55 175.38 1p91 s ILE 20 N -0.62 0.02 0.46 2.71 1.01 -1.13 -3.53 121.20 120.12 1p91 s ILE 20 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1p91 s ILE 20 Cb -0.05 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 1p91 s ILE 20 CO -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 174.94 174.86 1p91 n PRO 22 N -1.14 2.02 0.00 0.00 -0.02 -1.26 -3.55 135.00 131.04 1p91 n PRO 22 Ca -0.19 -1.88 0.00 0.00 -2.02 0.00 0.00 63.50 59.41 1p91 n PRO 22 Cb 0.59 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1p91 n PRO 22 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1p91 n GLN 23 N 5.87 0.00 -3.43 -0.52 -0.06 -1.26 -5.03 117.38 112.95 1p91 n GLN 23 Ca 0.50 0.00 -0.23 0.00 -2.00 0.00 0.00 57.00 55.28 1p91 n GLN 23 Cb 0.32 -0.01 0.07 0.00 -4.06 0.00 0.00 30.24 26.56 1p91 n GLN 23 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1p91 n ARG 24 N 0.00 -7.04 -3.41 3.69 5.12 -1.23 -4.97 116.66 108.82 1p91 n ARG 24 Ca 0.00 0.81 -0.40 0.00 -1.93 0.00 0.00 57.85 56.32 1p91 n ARG 24 Cb 0.19 -5.71 -0.09 0.00 -1.16 0.00 0.00 32.46 25.68 1p91 n ARG 24 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1p91 s HIS 25 N -3.28 3.22 -0.35 -1.55 3.76 -1.26 -5.06 115.29 110.76 1p91 s HIS 25 Ca 0.51 0.07 -0.22 0.00 -0.15 0.00 0.00 55.06 55.27 1p91 s HIS 25 Cb -0.22 -2.63 0.01 0.00 1.11 0.00 0.00 32.58 30.84 1p91 s HIS 25 CO 0.63 -0.38 0.73 -0.65 -0.85 0.00 0.00 174.74 174.22 1p91 s GLN 26 N 2.01 3.75 -0.25 1.40 -0.21 -1.26 -4.54 119.66 120.56 1p91 s GLN 26 Ca 0.12 0.25 -0.04 0.00 0.02 0.00 0.00 55.36 55.71 1p91 s GLN 26 Cb -0.16 -3.80 0.09 0.00 1.00 0.00 0.00 33.01 30.14 1p91 s GLN 26 CO 0.11 -0.78 0.14 -0.06 -2.12 0.00 0.00 175.29 172.58 1p91 s PHE 27 N 2.94 0.17 0.00 0.91 2.99 -1.23 -5.09 117.98 118.67 1p91 s PHE 27 Ca 0.29 -0.59 0.00 0.00 0.00 0.00 0.00 56.93 56.63 1p91 s PHE 27 Cb -0.14 -0.77 0.00 0.00 0.00 0.00 0.00 43.02 42.11 1p91 s PHE 27 CO 0.16 -0.74 0.00 -0.25 -0.00 0.00 0.00 175.22 174.39 1p91 n ASP 28 N 5.27 0.00 -4.22 1.36 8.00 -1.26 -0.74 116.55 124.96 1p91 n ASP 28 Ca -0.06 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.24 1p91 n ASP 28 Cb 0.45 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.45 1p91 n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p91 s ALA 30 N -2.88 2.16 0.47 2.24 0.00 -1.10 -4.04 121.76 118.61 1p91 s ALA 30 Ca 0.00 -1.76 0.30 0.00 0.00 0.00 0.00 51.96 50.50 1p91 s ALA 30 Cb 0.00 0.93 1.65 0.00 0.00 0.00 0.00 23.12 25.70 1p91 s ALA 30 CO 0.00 -0.41 2.15 1.57 0.00 0.00 0.00 175.76 179.06 1p91 h LYS 31 N 2.16 0.00 0.00 0.00 -0.00 -2.01 -2.61 116.57 114.11 1p91 h LYS 31 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.28 1p91 h LYS 31 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 1p91 h LYS 31 CO 0.60 0.07 -0.37 0.93 -0.00 0.00 0.00 179.45 180.68 1p91 h GLU 32 N 0.00 0.00 0.00 0.07 3.07 -1.95 -3.48 114.58 112.29 1p91 h GLU 32 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1p91 h GLU 32 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1p91 h GLU 32 CO 0.01 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 1p91 n GLY 33 N 1.23 0.72 3.94 -3.84 0.00 -0.98 -4.28 105.19 101.98 1p91 n GLY 33 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1p91 n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p91 s TYR 34 N -2.00 3.30 -0.05 1.61 -0.85 -1.26 -4.52 117.35 113.58 1p91 s TYR 34 Ca 0.00 0.37 0.06 0.00 -0.52 0.00 0.00 57.07 56.98 1p91 s TYR 34 Cb 0.00 -2.32 -0.01 0.00 0.38 0.00 0.00 41.96 40.01 1p91 s TYR 34 CO 0.00 -0.35 -0.24 0.54 -1.52 0.00 0.00 175.55 173.98 1p91 s VAL 35 N -2.61 2.20 -0.31 -3.49 0.11 -0.42 -2.72 120.40 113.16 1p91 s VAL 35 Ca 0.48 -1.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.41 1p91 s VAL 35 Cb -0.10 -1.80 0.00 0.00 -1.53 0.00 0.00 36.38 32.95 1p91 s VAL 35 CO 0.39 0.57 0.14 0.21 -3.33 0.00 0.00 175.10 173.09 1p91 s ASN 36 N -0.32 5.46 -0.31 3.54 3.84 -1.26 0.95 114.94 126.84 1p91 s ASN 36 Ca 0.01 -0.62 0.08 0.00 0.21 0.00 0.00 52.86 52.54 1p91 s ASN 36 Cb -0.13 -1.97 0.49 0.00 -0.55 0.00 0.00 41.25 39.09 1p91 s ASN 36 CO 0.02 -0.21 1.43 0.18 -2.79 0.00 0.00 177.10 175.73 1p91 n LEU 37 N 4.95 4.35 -4.53 3.21 4.77 0.54 -4.68 117.00 125.61 1p91 n LEU 37 Ca -0.14 -4.01 -0.42 0.00 -0.03 0.00 0.00 56.01 51.42 1p91 n LEU 37 Cb 0.48 -0.60 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 1p91 n LEU 37 CO 0.33 1.45 0.15 -0.22 -1.33 0.00 0.00 177.39 177.77 1p91 s LEU 38 N -3.36 4.53 0.59 2.23 2.96 -1.18 -4.75 118.68 119.70 1p91 s LEU 38 Ca 0.46 -0.29 0.29 0.00 -0.22 0.00 0.00 54.13 54.37 1p91 s LEU 38 Cb 0.41 -2.47 1.36 0.00 0.50 0.00 0.00 46.19 45.99 1p91 s LEU 38 CO -0.01 -0.49 1.74 -0.65 -1.32 0.00 0.00 176.35 175.63 1p91 h PRO 39 N 8.57 0.00 -1.27 0.98 0.11 -1.93 -3.51 132.00 134.95 1p91 h PRO 39 Ca -0.28 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.98 1p91 h PRO 39 Cb 1.12 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1p91 h PRO 39 CO 0.76 0.00 -0.31 -0.25 -0.21 0.00 0.00 178.00 177.99 1p91 n ASP 50 N -3.63 -3.31 0.00 -2.05 8.00 -1.26 -5.21 116.55 109.09 1p91 n ASP 50 Ca 0.14 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1p91 n ASP 50 Cb 0.94 -1.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 1p91 n ASP 50 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1p91 n SER 51 N -2.96 0.43 -0.06 -2.24 2.88 -1.26 -5.06 113.62 105.36 1p91 n SER 51 Ca -0.01 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.46 1p91 n SER 51 Cb 0.26 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.63 1p91 n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p91 n ALA 52 N -3.00 1.70 -0.34 -1.46 0.00 -1.26 -4.83 120.51 111.32 1p91 n ALA 52 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 53.44 52.45 1p91 n ALA 52 Cb 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 1p91 n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1p91 n GLU 53 N -2.57 0.23 0.00 0.00 -0.58 -1.26 -4.53 120.64 111.94 1p91 n GLU 53 Ca -0.21 -0.87 0.00 0.00 -0.42 0.00 0.00 57.16 55.66 1p91 n GLU 53 Cb 0.86 -2.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 1p91 n GLU 53 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1p91 n GLN 56 N 6.39 0.00 0.12 3.49 6.02 -1.26 -4.63 117.38 127.51 1p91 n GLN 56 Ca 0.27 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.29 1p91 n GLN 56 Cb 0.22 -0.02 0.42 0.00 1.02 0.00 0.00 30.24 31.87 1p91 n GLN 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p91 h ALA 57 N 0.00 1.57 0.00 -1.58 0.00 -2.00 0.41 119.26 117.66 1p91 h ALA 57 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1p91 h ALA 57 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1p91 h ALA 57 CO 0.00 0.31 -0.00 -0.09 0.00 0.00 0.00 179.25 179.47 1p91 h ARG 58 N 0.23 -0.00 -0.38 0.00 2.43 -1.89 -2.46 114.38 112.32 1p91 h ARG 58 Ca 0.05 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1p91 h ARG 58 Cb 0.30 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1p91 h ARG 58 CO 0.01 0.44 0.16 -0.09 -1.51 0.00 0.00 179.97 178.98 1p91 h ARG 59 N -0.44 0.53 0.23 0.20 2.43 -1.85 0.16 114.38 115.64 1p91 h ARG 59 Ca -0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1p91 h ARG 59 Cb 0.44 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1p91 h ARG 59 CO 0.00 0.43 -0.11 0.00 -1.51 0.00 0.00 179.97 178.78 1p91 h ALA 60 N 1.65 -0.32 -0.30 2.80 0.00 -0.87 0.68 119.26 122.91 1p91 h ALA 60 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1p91 h ALA 60 Cb 0.09 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1p91 h ALA 60 CO -0.02 -0.68 0.17 0.35 0.00 0.00 0.00 179.25 179.07 1p91 h PHE 61 N -0.32 0.40 -0.65 0.00 3.57 -0.78 -2.18 116.94 116.98 1p91 h PHE 61 Ca -0.03 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 1p91 h PHE 61 Cb 0.25 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1p91 h PHE 61 CO -0.06 0.31 0.13 -0.07 -2.23 0.00 0.00 178.31 176.39 1p91 h LEU 62 N 0.37 0.99 -0.91 0.59 3.38 -0.57 -2.82 115.31 116.34 1p91 h LEU 62 Ca 0.10 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1p91 h LEU 62 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1p91 h LEU 62 CO -0.02 0.97 -0.37 0.44 0.09 0.00 0.00 178.44 179.55 1p91 h ASP 63 N 0.99 0.00 0.00 -0.43 3.32 -0.73 -2.41 116.42 117.16 1p91 h ASP 63 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1p91 h ASP 63 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1p91 h ASP 63 CO 0.01 0.37 0.00 0.00 -1.72 0.00 0.00 179.24 177.90 1p91 n ALA 64 N -2.29 1.42 -2.17 3.45 0.00 -0.83 -4.80 120.51 115.28 1p91 n ALA 64 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1p91 n ALA 64 Cb 0.51 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 1p91 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p91 n GLY 65 N -1.06 -0.02 0.06 0.00 0.00 -0.91 -4.95 105.19 98.31 1p91 n GLY 65 Ca 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1p91 n GLY 65 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1p91 n HIS 66 N -3.95 0.55 -0.55 1.61 8.25 -1.26 -3.45 115.22 116.42 1p91 n HIS 66 Ca -0.13 0.16 0.06 0.00 -0.26 0.00 0.00 57.72 57.55 1p91 n HIS 66 Cb 0.59 -0.68 0.12 0.00 1.12 0.00 0.00 29.99 31.14 1p91 n HIS 66 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1p91 n TYR 67 N -2.03 0.24 -0.02 4.41 0.53 -1.26 -4.65 117.16 114.39 1p91 n TYR 67 Ca 0.05 -0.73 -0.09 0.00 -1.02 0.00 0.00 57.90 56.11 1p91 n TYR 67 Cb 0.42 -0.12 -0.02 0.00 -1.03 0.00 0.00 39.34 38.58 1p91 n TYR 67 CO 0.00 0.00 0.00 0.37 -1.02 0.00 0.00 176.86 176.21 1p91 h GLN 68 N 0.65 -0.19 -0.76 -0.72 5.75 -1.86 -2.12 115.11 115.86 1p91 h GLN 68 Ca 0.00 0.01 0.12 0.00 -0.15 0.00 0.00 58.65 58.64 1p91 h GLN 68 Cb 0.87 0.04 -0.13 0.00 1.07 0.00 0.00 27.48 29.33 1p91 h GLN 68 CO 0.04 -0.13 -0.37 -1.35 -2.65 0.00 0.00 178.83 174.37 1p91 h PRO 69 N -0.20 -0.10 -0.46 -2.39 0.11 -1.84 0.68 132.00 127.81 1p91 h PRO 69 Ca 0.11 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.32 1p91 h PRO 69 Cb 0.36 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.41 1p91 h PRO 69 CO -0.28 -0.06 -0.02 1.25 -0.21 0.00 0.00 178.00 178.67 1p91 h LEU 70 N -0.10 -0.24 -0.85 2.35 5.85 -1.75 0.20 115.31 120.77 1p91 h LEU 70 Ca 0.27 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 59.06 1p91 h LEU 70 Cb 0.57 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1p91 h LEU 70 CO -0.81 -0.08 0.35 -0.09 -0.34 0.00 0.00 178.44 177.47 1p91 h ARG 71 N 0.09 1.19 -0.03 1.25 2.43 -0.12 -2.18 114.38 117.01 1p91 h ARG 71 Ca 0.23 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1p91 h ARG 71 Cb 0.34 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1p91 h ARG 71 CO -0.40 0.94 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.45 1p91 h ASP 72 N 1.17 -0.32 -0.43 -3.80 3.32 0.30 -1.50 116.42 115.16 1p91 h ASP 72 Ca 0.27 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1p91 h ASP 72 Cb 0.18 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1p91 h ASP 72 CO -0.03 -0.15 0.18 0.00 -1.72 0.00 0.00 179.24 177.52 1p91 h ALA 73 N 0.83 0.55 -0.76 3.45 0.00 -0.66 -2.10 119.26 120.57 1p91 h ALA 73 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1p91 h ALA 73 Cb 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1p91 h ALA 73 CO -0.13 0.14 0.44 0.82 0.00 0.00 0.00 179.25 180.52 1p91 h ILE 74 N 0.55 1.22 -0.76 0.00 2.04 -1.24 -1.16 117.51 118.16 1p91 h ILE 74 Ca 0.14 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1p91 h ILE 74 Cb 0.17 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1p91 h ILE 74 CO -0.01 0.24 0.50 0.58 0.00 0.00 0.00 178.15 179.45 1p91 h VAL 75 N 1.05 1.20 0.31 1.67 2.07 -0.89 -1.97 116.25 119.69 1p91 h VAL 75 Ca 0.27 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1p91 h VAL 75 Cb -0.01 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.81 1p91 h VAL 75 CO -0.05 0.19 -0.51 0.00 0.02 0.00 0.00 177.57 177.23 1p91 h ALA 76 N 1.27 -1.07 -0.97 1.67 0.00 -0.57 0.12 119.26 119.71 1p91 h ALA 76 Ca 0.28 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.19 1p91 h ALA 76 Cb -0.11 0.81 -0.16 0.00 0.00 0.00 0.00 17.79 18.33 1p91 h ALA 76 CO -0.06 -1.15 -0.39 1.96 0.00 0.00 0.00 179.25 179.62 1p91 h GLN 77 N -0.86 -0.01 0.75 0.00 1.08 -0.87 0.35 115.11 115.55 1p91 h GLN 77 Ca -0.03 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1p91 h GLN 77 Cb 0.80 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1p91 h GLN 77 CO -0.17 -0.01 -0.43 -0.07 -0.95 0.00 0.00 178.83 177.20 1p91 h LEU 78 N -0.01 -1.07 -1.53 1.46 3.38 -0.71 0.01 115.31 116.83 1p91 h LEU 78 Ca 0.34 0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.59 1p91 h LEU 78 Cb 0.59 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 1p91 h LEU 78 CO -0.97 -0.68 0.62 0.03 0.09 0.00 0.00 178.44 177.52 1p91 h ARG 79 N -1.10 0.35 -0.01 1.13 3.08 0.12 -1.63 114.38 116.33 1p91 h ARG 79 Ca -0.10 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.73 1p91 h ARG 79 Cb 0.88 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1p91 h ARG 79 CO 0.12 0.23 -0.86 1.49 -1.07 0.00 0.00 179.97 179.88 1p91 h GLU 80 N 0.36 0.25 0.05 0.04 4.81 0.18 -3.39 114.58 116.88 1p91 h GLU 80 Ca 0.49 -0.26 -0.37 0.00 -0.13 0.00 0.00 59.36 59.08 1p91 h GLU 80 Cb 1.29 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.70 1p91 h GLU 80 CO -0.18 0.97 -2.16 0.54 -0.73 0.00 0.00 179.01 177.46 1p91 n ARG 81 N -3.70 0.67 -2.30 1.92 5.12 -0.06 -4.95 116.66 113.36 1p91 n ARG 81 Ca -0.04 0.26 -0.35 0.00 -1.93 0.00 0.00 57.85 55.79 1p91 n ARG 81 Cb 0.79 -1.61 -0.00 0.00 -1.16 0.00 0.00 32.46 30.47 1p91 n ARG 81 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1p91 s LEU 82 N -7.03 3.80 0.00 0.55 1.02 -0.95 -5.04 118.68 111.03 1p91 s LEU 82 Ca -0.30 2.16 0.00 0.00 0.02 0.00 0.00 54.13 56.01 1p91 s LEU 82 Cb 0.09 -4.53 0.00 0.00 0.02 0.00 0.00 46.19 41.76 1p91 s LEU 82 CO 0.64 -1.12 0.00 -0.90 0.02 0.00 0.00 176.35 174.99 1p91 n ASP 83 N -1.14 0.95 0.11 2.29 5.75 -1.26 -4.92 116.55 118.33 1p91 n ASP 83 Ca 0.11 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.87 1p91 n ASP 83 Cb 0.51 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.81 1p91 n ASP 83 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1p91 h ASP 84 N 0.00 0.17 0.50 -1.12 3.32 -2.01 -3.08 116.42 114.21 1p91 h ASP 84 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1p91 h ASP 84 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1p91 h ASP 84 CO 0.00 0.63 -0.04 1.17 -1.72 0.00 0.00 179.24 179.28 1p91 n LYS 85 N -3.97 0.50 -1.23 3.56 3.00 -1.26 -4.90 118.16 113.86 1p91 n LYS 85 Ca -0.02 -0.06 -0.35 0.00 -0.00 0.00 0.00 58.31 57.89 1p91 n LYS 85 Cb 0.52 -1.50 0.10 0.00 0.00 0.00 0.00 35.03 34.15 1p91 n LYS 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1p91 n ALA 86 N -1.20 -0.64 0.00 3.14 0.00 -1.17 -4.94 120.51 115.71 1p91 n ALA 86 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1p91 n ALA 86 Cb 0.25 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1p91 n ALA 86 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1p91 n THR 87 N -2.78 0.00 -4.41 0.00 -2.24 -1.26 -4.66 114.28 98.94 1p91 n THR 87 Ca 0.12 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.65 1p91 n THR 87 Cb 0.50 -0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 68.33 1p91 n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p91 s ALA 88 N -1.59 2.43 -0.36 6.98 0.00 -1.26 0.21 121.76 128.16 1p91 s ALA 88 Ca 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 51.96 50.39 1p91 s ALA 88 Cb 0.00 -0.29 0.17 0.00 0.00 0.00 0.00 23.12 23.00 1p91 s ALA 88 CO 0.00 0.37 0.53 0.08 0.00 0.00 0.00 175.76 176.75 1p91 s VAL 89 N -1.82 -0.79 0.26 0.00 1.01 -0.39 -1.42 120.40 117.25 1p91 s VAL 89 Ca 0.20 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 1p91 s VAL 89 Cb -0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.76 1p91 s VAL 89 CO 0.09 -0.18 0.92 -0.22 0.00 0.00 0.00 175.10 175.71 1p91 s LEU 90 N 2.01 4.54 -0.24 3.92 2.96 -1.02 -1.89 118.68 128.95 1p91 s LEU 90 Ca 0.14 1.86 -0.02 0.00 -0.22 0.00 0.00 54.13 55.89 1p91 s LEU 90 Cb -0.09 -3.70 0.02 0.00 0.50 0.00 0.00 46.19 42.92 1p91 s LEU 90 CO -0.12 0.09 -0.06 -0.62 -1.32 0.00 0.00 176.35 174.31 1p91 s ASP 91 N -1.33 4.22 0.00 3.68 2.15 0.03 -0.85 116.67 124.57 1p91 s ASP 91 Ca 0.43 -0.71 -0.24 0.00 0.43 0.00 0.00 52.55 52.46 1p91 s ASP 91 Cb -0.23 -1.67 -0.05 0.00 -0.30 0.00 0.00 42.92 40.67 1p91 s ASP 91 CO 0.28 -0.09 0.73 -0.63 -0.17 0.00 0.00 175.17 175.29 1p91 s ILE 92 N 1.37 4.86 -0.68 4.11 -1.09 -0.44 -1.87 121.20 127.46 1p91 s ILE 92 Ca 0.02 1.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.97 1p91 s ILE 92 Cb -0.16 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1p91 s ILE 92 CO -0.05 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 1p91 n GLY 93 N 2.62 0.28 0.00 6.18 0.00 -0.76 -4.28 105.19 109.24 1p91 n GLY 93 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1p91 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p91 n GLY 95 N -1.07 2.27 2.05 0.00 0.00 -1.26 -1.11 105.19 106.06 1p91 n GLY 95 Ca 0.00 0.25 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 1p91 n GLY 95 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1p91 n GLU 96 N 14.00 3.36 -0.99 1.61 0.00 -1.26 -3.77 120.64 133.59 1p91 n GLU 96 Ca 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 57.16 54.18 1p91 n GLU 96 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 31.44 29.25 1p91 n GLU 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1p91 n GLY 97 N -0.34 0.71 0.40 -1.84 0.00 -0.27 -4.13 105.19 99.73 1p91 n GLY 97 Ca 0.44 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.66 1p91 n GLY 97 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1p91 h TYR 98 N 0.00 0.59 0.00 1.61 3.20 -1.92 -2.94 116.97 117.50 1p91 h TYR 98 Ca 0.00 0.02 -0.36 0.00 3.14 0.00 0.00 58.73 61.53 1p91 h TYR 98 Cb 0.02 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.05 1p91 h TYR 98 CO 0.01 0.13 -2.25 0.66 -1.64 0.00 0.00 178.16 175.08 1p91 n TYR 99 N -4.54 0.00 -0.28 -3.82 4.02 -1.26 -4.55 117.16 106.73 1p91 n TYR 99 Ca 0.21 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.98 1p91 n TYR 99 Cb 0.73 -0.81 -0.10 0.00 -0.02 0.00 0.00 39.34 39.14 1p91 n TYR 99 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1p91 h THR 100 N -0.50 0.00 -0.62 -0.72 2.02 -1.87 -1.02 112.91 110.20 1p91 h THR 100 Ca -0.54 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.76 1p91 h THR 100 Cb 1.59 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.92 1p91 h THR 100 CO -0.24 0.00 0.15 1.12 0.37 0.00 0.00 175.52 176.92 1p91 h HIS 101 N -0.20 0.25 -1.02 3.16 2.07 -1.80 0.21 115.15 117.82 1p91 h HIS 101 Ca 0.12 0.04 0.25 0.00 -2.85 0.00 0.00 60.37 57.92 1p91 h HIS 101 Cb 0.51 -0.02 -0.10 0.00 2.57 0.00 0.00 27.41 30.37 1p91 h HIS 101 CO -0.88 -0.01 0.65 0.00 -3.07 0.00 0.00 177.93 174.62 1p91 h ALA 102 N 1.48 2.11 0.17 6.11 0.00 -1.44 0.88 119.26 128.58 1p91 h ALA 102 Ca 0.33 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1p91 h ALA 102 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1p91 h ALA 102 CO -0.40 -0.51 -0.08 0.74 0.00 0.00 0.00 179.25 179.00 1p91 h PHE 103 N 0.46 -0.22 -0.88 0.00 0.05 -0.35 -2.63 116.94 113.37 1p91 h PHE 103 Ca 0.59 -0.01 0.17 0.00 3.82 0.00 0.00 57.97 62.55 1p91 h PHE 103 Cb 1.37 0.07 -0.17 0.00 2.00 0.00 0.00 35.95 39.23 1p91 h PHE 103 CO -0.00 0.21 -0.23 0.00 -0.18 0.00 0.00 178.31 178.11 1p91 h ALA 104 N -0.21 0.55 0.13 2.45 0.00 0.13 0.38 119.26 122.68 1p91 h ALA 104 Ca -0.02 0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1p91 h ALA 104 Cb 0.52 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1p91 h ALA 104 CO 0.04 -0.41 -0.06 -0.44 0.00 0.00 0.00 179.25 178.37 1p91 h ASP 105 N -0.00 -0.15 -0.84 0.00 3.32 -0.96 -2.74 116.42 115.03 1p91 h ASP 105 Ca 0.42 0.01 0.33 0.00 0.02 0.00 0.00 57.03 57.81 1p91 h ASP 105 Cb 0.64 0.04 -0.13 0.00 0.22 0.00 0.00 39.33 40.10 1p91 h ASP 105 CO -0.91 -0.11 0.48 0.00 -1.72 0.00 0.00 179.24 176.99 1p91 n ALA 106 N -2.10 0.86 -3.40 3.45 0.00 -0.47 -1.52 120.51 117.33 1p91 n ALA 106 Ca -0.02 0.76 -0.35 0.00 0.00 0.00 0.00 53.44 53.83 1p91 n ALA 106 Cb 0.07 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 1p91 n ALA 106 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1p91 n LEU 107 N -4.61 4.65 0.14 0.00 4.77 0.12 -4.89 117.00 117.18 1p91 n LEU 107 Ca 0.30 -5.26 0.12 0.00 -0.03 0.00 0.00 56.01 51.14 1p91 n LEU 107 Cb 1.05 -1.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.64 1p91 n LEU 107 CO 0.04 1.77 0.87 -0.65 -1.33 0.00 0.00 177.39 178.09 1p91 h PRO 108 N 5.22 0.00 0.00 3.23 0.11 -1.25 -3.12 132.00 136.19 1p91 h PRO 108 Ca 0.19 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.13 1p91 h PRO 108 Cb 0.71 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.78 1p91 h PRO 108 CO 0.98 0.00 -1.73 0.39 -0.21 0.00 0.00 178.00 177.43 1p91 n GLU 109 N -2.31 0.64 -2.77 1.05 -0.58 -1.26 -4.94 120.64 110.48 1p91 n GLU 109 Ca 0.02 0.08 -0.21 0.00 -0.42 0.00 0.00 57.16 56.63 1p91 n GLU 109 Cb 0.25 -1.69 0.03 0.00 -0.57 0.00 0.00 31.44 29.46 1p91 n GLU 109 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1p91 s ILE 110 N -2.98 2.94 -0.13 -3.67 -5.25 -1.18 -4.87 121.20 106.07 1p91 s ILE 110 Ca -0.05 -0.70 -0.13 0.00 -0.99 0.00 0.00 60.65 58.77 1p91 s ILE 110 Cb 0.09 -3.08 -0.05 0.00 2.95 0.00 0.00 42.46 42.38 1p91 s ILE 110 CO 0.83 -0.05 0.30 -0.89 -1.79 0.00 0.00 174.94 173.34 1p91 s THR 111 N -2.65 5.28 -0.37 8.37 2.01 0.57 -4.95 115.64 123.90 1p91 s THR 111 Ca 0.55 0.57 -0.09 0.00 0.31 0.00 0.00 61.69 63.04 1p91 s THR 111 Cb -0.10 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.83 1p91 s THR 111 CO 0.37 0.45 0.17 -0.89 -0.69 0.00 0.00 174.62 174.03 1p91 s THR 112 N 0.04 4.15 0.05 -0.82 2.01 -1.26 -1.26 115.64 118.54 1p91 s THR 112 Ca 0.18 -1.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.01 1p91 s THR 112 Cb -0.14 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 1p91 s THR 112 CO 0.06 -0.26 0.35 -0.36 -0.69 0.00 0.00 174.62 173.71 1p91 s PHE 113 N 1.46 3.59 -0.06 4.92 0.40 -0.79 -2.17 117.98 125.32 1p91 s PHE 113 Ca 0.00 0.72 0.02 0.00 -0.60 0.00 0.00 56.93 57.07 1p91 s PHE 113 Cb -0.20 -2.10 0.02 0.00 0.51 0.00 0.00 43.02 41.25 1p91 s PHE 113 CO 0.04 0.56 -0.10 0.20 0.70 0.00 0.00 175.22 176.62 1p91 s GLY 114 N -1.69 0.72 0.11 4.36 0.00 -0.81 -0.79 107.32 109.22 1p91 s GLY 114 Ca 0.30 -0.34 0.06 0.00 0.00 0.00 0.00 44.72 44.74 1p91 s GLY 114 CO 0.17 0.21 -0.16 -2.27 0.00 0.00 0.00 173.10 171.05 1p91 s LEU 115 N 0.76 2.35 0.02 0.66 0.20 -0.78 -1.43 118.68 120.45 1p91 s LEU 115 Ca -0.13 -0.74 -0.29 0.00 0.69 0.00 0.00 54.13 53.67 1p91 s LEU 115 Cb -0.15 -0.63 0.10 0.00 -0.43 0.00 0.00 46.19 45.07 1p91 s LEU 115 CO 0.03 -0.08 0.99 -0.62 -0.29 0.00 0.00 176.35 176.38 1p91 s ASP 116 N -2.17 -0.24 -0.23 3.68 3.68 -1.18 0.77 116.67 120.97 1p91 s ASP 116 Ca 0.06 -0.14 0.14 0.00 2.13 0.00 0.00 52.55 54.74 1p91 s ASP 116 Cb -0.07 0.36 0.79 0.00 -1.45 0.00 0.00 42.92 42.55 1p91 s ASP 116 CO 0.03 -0.63 1.72 1.33 0.13 0.00 0.00 175.17 177.75 1p91 n VAL 117 N -0.32 2.71 -3.93 1.11 0.24 -1.17 -1.59 118.33 115.39 1p91 n VAL 117 Ca -0.07 -1.46 -0.30 0.00 -2.04 0.00 0.00 64.34 60.48 1p91 n VAL 117 Cb 0.61 -0.27 -0.13 0.00 -1.47 0.00 0.00 33.84 32.58 1p91 n VAL 117 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1p91 s SER 118 N -0.91 4.39 0.17 -1.34 0.15 -1.26 -4.91 113.70 109.98 1p91 s SER 118 Ca 0.53 -3.20 -0.28 0.00 0.70 0.00 0.00 55.95 53.70 1p91 s SER 118 Cb 0.41 -1.61 -0.01 0.00 -1.71 0.00 0.00 66.02 63.10 1p91 s SER 118 CO 0.15 -0.20 1.54 0.07 1.20 0.00 0.00 173.24 176.01 1p91 h LYS 119 N 6.24 -0.05 -0.68 5.44 -0.00 -1.97 1.55 116.57 127.10 1p91 h LYS 119 Ca -0.02 0.00 0.14 0.00 -0.00 0.00 0.00 60.65 60.77 1p91 h LYS 119 Cb 0.86 0.01 -0.12 0.00 -0.00 0.00 0.00 32.23 32.98 1p91 h LYS 119 CO 0.69 -0.03 -0.07 -0.24 -0.00 0.00 0.00 179.45 179.80 1p91 h VAL 120 N -0.05 0.38 0.07 0.07 3.04 -1.95 0.95 116.25 118.75 1p91 h VAL 120 Ca 0.19 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.86 1p91 h VAL 120 Cb 0.47 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 1p91 h VAL 120 CO -0.90 0.01 -0.04 0.00 -1.01 0.00 0.00 177.57 175.63 1p91 h ALA 121 N 1.65 -0.10 0.24 3.17 0.00 -0.92 -2.66 119.26 120.64 1p91 h ALA 121 Ca 0.35 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1p91 h ALA 121 Cb 0.57 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1p91 h ALA 121 CO -0.64 -0.31 -0.42 0.82 0.00 0.00 0.00 179.25 178.70 1p91 h ILE 122 N -0.60 0.15 -0.81 0.00 1.08 0.29 -2.41 117.51 115.22 1p91 h ILE 122 Ca -0.01 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.66 1p91 h ILE 122 Cb 0.50 0.15 -0.14 0.00 -3.07 0.00 0.00 36.82 34.26 1p91 h ILE 122 CO 0.02 0.00 0.06 0.50 -0.69 0.00 0.00 178.15 178.04 1p91 h LYS 123 N -0.74 0.12 -0.48 2.37 3.64 0.82 0.33 116.57 122.63 1p91 h LYS 123 Ca -0.00 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1p91 h LYS 123 Cb 0.71 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 1p91 h LYS 123 CO -0.17 0.08 -0.05 0.00 -2.27 0.00 0.00 179.45 177.04 1p91 h ALA 124 N 1.75 0.40 -0.14 5.00 0.00 -1.06 -0.37 119.26 124.85 1p91 h ALA 124 Ca 0.46 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.42 1p91 h ALA 124 Cb 0.86 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1p91 h ALA 124 CO -0.69 -0.41 -0.38 0.00 0.00 0.00 0.00 179.25 177.77 1p91 h ALA 125 N 1.45 0.23 -0.86 0.00 0.00 -0.63 -0.72 119.26 118.74 1p91 h ALA 125 Ca 0.24 -0.45 0.18 0.00 0.00 0.00 0.00 54.91 54.88 1p91 h ALA 125 Cb 0.37 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.02 1p91 h ALA 125 CO -0.44 0.32 0.40 0.00 0.00 0.00 0.00 179.25 179.52 1p91 h ALA 126 N 0.53 1.33 0.04 0.00 0.00 -0.03 1.01 119.26 122.14 1p91 h ALA 126 Ca -0.01 0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1p91 h ALA 126 Cb 0.99 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1p91 h ALA 126 CO 0.08 -0.24 -1.03 -0.22 0.00 0.00 0.00 179.25 177.85 1p91 h LYS 127 N 0.48 0.20 0.05 0.00 3.64 -0.96 -3.37 116.57 116.61 1p91 h LYS 127 Ca 0.51 -0.27 -0.31 0.00 -1.27 0.00 0.00 60.65 59.31 1p91 h LYS 127 Cb 0.86 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.74 1p91 h LYS 127 CO -0.46 1.06 -1.72 -0.09 -2.27 0.00 0.00 179.45 175.98 1p91 h ARG 128 N 0.08 0.10 -3.99 1.90 2.43 0.42 -3.43 114.38 111.89 1p91 h ARG 128 Ca -0.07 -0.17 -0.66 0.00 -0.81 0.00 0.00 59.98 58.27 1p91 h ARG 128 Cb 1.72 0.06 -0.39 0.00 -0.42 0.00 0.00 29.97 30.94 1p91 h ARG 128 CO 0.16 0.78 -0.63 0.71 -1.51 0.00 0.00 179.97 179.48 1p91 s TYR 129 N -2.60 3.46 0.07 2.20 1.51 0.33 -4.96 117.35 117.37 1p91 s TYR 129 Ca -0.09 -3.00 0.22 0.00 -1.01 0.00 0.00 57.07 53.19 1p91 s TYR 129 Cb 0.08 -2.94 0.74 0.00 -0.11 0.00 0.00 41.96 39.73 1p91 s TYR 129 CO 0.81 -0.85 1.75 -1.00 -1.11 0.00 0.00 175.55 175.15 1p91 h PRO 130 N 7.10 0.00 -0.98 -1.71 0.13 -1.79 -3.27 132.00 131.48 1p91 h PRO 130 Ca -0.06 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.95 1p91 h PRO 130 Cb 0.96 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.02 1p91 h PRO 130 CO 0.63 0.28 0.15 0.00 -0.23 0.00 0.00 178.00 178.83 1p91 n GLN 131 N -3.37 1.44 -3.52 0.86 0.00 -1.26 -4.70 117.38 106.83 1p91 n GLN 131 Ca 0.01 -0.82 -0.16 0.00 0.00 0.00 0.00 57.00 56.02 1p91 n GLN 131 Cb 0.49 -1.37 -0.13 0.00 0.00 0.00 0.00 30.24 29.23 1p91 n GLN 131 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1p91 s VAL 132 N -0.97 -0.36 -0.40 -0.39 1.01 -1.23 -4.69 120.40 113.36 1p91 s VAL 132 Ca 0.15 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 1p91 s VAL 132 Cb 0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1p91 s VAL 132 CO 0.03 -0.12 1.76 -0.89 0.00 0.00 0.00 175.10 175.88 1p91 s THR 133 N 2.36 3.51 0.18 3.92 2.01 -0.92 -4.86 115.64 121.85 1p91 s THR 133 Ca 0.06 0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.56 1p91 s THR 133 Cb -0.15 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1p91 s THR 133 CO -0.11 -0.56 0.34 -0.36 -0.69 0.00 0.00 174.62 173.23 1p91 s PHE 134 N 7.15 3.48 0.06 4.92 2.99 -1.26 -1.92 117.98 133.40 1p91 s PHE 134 Ca 0.75 0.21 -0.19 0.00 0.00 0.00 0.00 56.93 57.70 1p91 s PHE 134 Cb -0.19 -1.74 0.04 0.00 0.00 0.00 0.00 43.02 41.12 1p91 s PHE 134 CO 0.31 0.45 0.44 0.00 -0.00 0.00 0.00 175.22 176.41 1p91 s VAL 136 N -2.73 3.72 0.08 0.00 1.01 0.27 -3.11 120.40 119.65 1p91 s VAL 136 Ca -0.04 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 1p91 s VAL 136 Cb -0.00 -2.64 0.09 0.00 0.00 0.00 0.00 36.38 33.82 1p91 s VAL 136 CO -0.04 0.48 1.17 0.00 0.00 0.00 0.00 175.10 176.70 1p91 s ALA 137 N 0.61 -2.05 0.40 5.51 0.00 -0.62 -0.34 121.76 125.27 1p91 s ALA 137 Ca -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1p91 s ALA 137 Cb -0.15 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1p91 s ALA 137 CO 0.03 -1.11 0.65 -1.12 0.00 0.00 0.00 175.76 174.20 1p91 s SER 138 N -3.67 6.27 0.13 0.00 0.01 -1.26 -3.04 113.70 112.14 1p91 s SER 138 Ca 0.27 0.64 0.25 0.00 1.31 0.00 0.00 55.95 58.41 1p91 s SER 138 Cb -0.02 -2.10 0.47 0.00 0.21 0.00 0.00 66.02 64.57 1p91 s SER 138 CO 0.02 -0.42 1.43 -0.24 0.41 0.00 0.00 173.24 174.44 1p91 n SER 139 N -1.99 0.71 -0.14 2.44 2.88 -1.26 -4.02 113.62 112.24 1p91 n SER 139 Ca -0.02 0.21 -0.04 0.00 -1.33 0.00 0.00 58.87 57.69 1p91 n SER 139 Cb 0.56 -0.05 0.03 0.00 -0.75 0.00 0.00 64.21 63.99 1p91 n SER 139 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1p91 h HIS 140 N 0.00 -0.25 -3.07 0.66 3.86 -1.94 -3.36 115.15 111.06 1p91 h HIS 140 Ca 0.00 0.04 -0.51 0.00 -1.16 0.00 0.00 60.37 58.74 1p91 h HIS 140 Cb 0.73 0.18 -0.40 0.00 1.06 0.00 0.00 27.41 28.98 1p91 h HIS 140 CO 0.00 -0.20 -0.76 0.50 0.86 0.00 0.00 177.93 178.33 1p91 s ARG 141 N -6.22 0.37 0.06 2.45 3.00 -1.26 -4.87 118.95 112.49 1p91 s ARG 141 Ca -0.14 -0.45 -0.34 0.00 -1.00 0.00 0.00 55.73 53.80 1p91 s ARG 141 Cb 0.16 -1.77 -0.13 0.00 0.00 0.00 0.00 34.95 33.21 1p91 s ARG 141 CO 0.71 -0.80 1.68 1.28 0.00 0.00 0.00 175.30 178.17 1p91 n LEU 142 N 5.14 3.14 -0.32 -0.88 4.77 -1.26 -4.77 117.00 122.81 1p91 n LEU 142 Ca -0.07 1.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 1p91 n LEU 142 Cb 0.46 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1p91 n LEU 142 CO 0.10 -0.24 0.06 -2.65 -1.33 0.00 0.00 177.39 173.32 1p91 n PRO 143 N 4.57 0.18 -4.45 3.23 -0.02 -1.26 -4.78 135.00 132.47 1p91 n PRO 143 Ca 0.19 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.43 1p91 n PRO 143 Cb 0.28 -1.06 -0.10 0.00 -0.02 0.00 0.00 33.50 32.61 1p91 n PRO 143 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1p91 s PHE 144 N -1.35 2.39 0.73 6.00 0.40 -1.26 0.21 117.98 125.10 1p91 s PHE 144 Ca 0.00 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 55.85 1p91 s PHE 144 Cb 0.00 -1.16 0.03 0.00 0.51 0.00 0.00 43.02 42.40 1p91 s PHE 144 CO 0.00 0.65 1.07 -1.54 0.70 0.00 0.00 175.22 176.10 1p91 s SER 145 N -3.57 5.04 0.39 1.36 1.04 -0.70 -4.52 113.70 112.72 1p91 s SER 145 Ca 0.31 1.57 -0.26 0.00 0.48 0.00 0.00 55.95 58.05 1p91 s SER 145 Cb -0.03 -2.39 -0.11 0.00 0.10 0.00 0.00 66.02 63.59 1p91 s SER 145 CO 0.16 -1.66 1.22 0.47 0.98 0.00 0.00 173.24 174.42 1p91 n ASP 146 N -3.26 2.36 -4.07 7.02 9.92 -1.26 -3.51 116.55 123.75 1p91 n ASP 146 Ca 0.08 1.13 -0.45 0.00 -0.53 0.00 0.00 54.79 55.02 1p91 n ASP 146 Cb 0.54 -1.46 0.02 0.00 -0.64 0.00 0.00 41.12 39.58 1p91 n ASP 146 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1p91 n THR 147 N -0.05 -2.50 -1.43 -3.53 -2.24 0.35 -4.90 114.28 99.97 1p91 n THR 147 Ca 0.07 -0.54 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 1p91 n THR 147 Cb 0.38 -2.13 0.19 0.00 -2.10 0.00 0.00 70.33 66.66 1p91 n THR 147 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1p91 n SER 148 N -2.00 2.94 0.00 3.42 3.41 0.21 -4.38 113.62 117.22 1p91 n SER 148 Ca -0.11 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.74 1p91 n SER 148 Cb 0.54 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1p91 n SER 148 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1p91 n ASP 150 N -1.12 0.00 -3.60 4.04 9.92 -0.51 -4.56 116.55 120.73 1p91 n ASP 150 Ca 0.40 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.52 1p91 n ASP 150 Cb 1.16 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.58 1p91 n ASP 150 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p91 s ALA 151 N 0.00 -1.83 -0.11 2.24 0.00 -1.23 -1.56 121.76 119.27 1p91 s ALA 151 Ca 0.00 1.77 0.01 0.00 0.00 0.00 0.00 51.96 53.73 1p91 s ALA 151 Cb 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.27 1p91 s ALA 151 CO 0.00 -0.32 -0.10 0.42 0.00 0.00 0.00 175.76 175.75 1p91 s ILE 152 N -0.22 1.17 0.06 0.00 1.01 0.12 -2.45 121.20 120.89 1p91 s ILE 152 Ca -0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 1p91 s ILE 152 Cb -0.03 -1.13 -0.06 0.00 0.01 0.00 0.00 42.46 41.25 1p91 s ILE 152 CO 0.02 0.38 0.37 -0.63 0.00 0.00 0.00 174.94 175.09 1p91 s ILE 153 N 1.35 5.13 -0.37 2.92 1.09 -0.03 -1.46 121.20 129.82 1p91 s ILE 153 Ca -0.01 0.44 0.12 0.00 -1.10 0.00 0.00 60.65 60.09 1p91 s ILE 153 Cb -0.14 -3.63 0.34 0.00 -1.06 0.00 0.00 42.46 37.97 1p91 s ILE 153 CO -0.05 0.34 0.72 -1.14 -0.10 0.00 0.00 174.94 174.70 1p91 n ARG 154 N 1.05 0.95 -2.05 2.79 0.00 0.29 -1.33 116.66 118.36 1p91 n ARG 154 Ca -0.09 -3.34 -0.43 0.00 -0.00 0.00 0.00 57.85 53.99 1p91 n ARG 154 Cb 0.52 -1.66 -0.03 0.00 0.00 0.00 0.00 32.46 31.30 1p91 n ARG 154 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1p91 s ILE 155 N -2.28 3.61 -1.11 5.15 1.01 -1.26 -3.21 121.20 123.12 1p91 s ILE 155 Ca 0.39 0.70 -0.10 0.00 0.00 0.00 0.00 60.65 61.65 1p91 s ILE 155 Cb 0.33 -3.60 0.09 0.00 0.01 0.00 0.00 42.46 39.29 1p91 s ILE 155 CO -0.08 -0.22 0.37 -1.22 0.00 0.00 0.00 174.94 173.79 1p91 n TYR 156 N 8.33 -1.68 -4.36 3.97 4.02 -0.11 -4.87 117.16 122.45 1p91 n TYR 156 Ca 0.19 0.38 -0.25 0.00 -0.01 0.00 0.00 57.90 58.22 1p91 n TYR 156 Cb 0.45 -2.29 -0.09 0.00 -0.02 0.00 0.00 39.34 37.39 1p91 n TYR 156 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1p91 s ALA 157 N -2.77 2.92 0.25 -0.72 0.00 -1.24 -5.05 121.76 115.15 1p91 s ALA 157 Ca 0.37 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.64 1p91 s ALA 157 Cb -0.21 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1p91 s ALA 157 CO 0.46 0.33 0.46 -1.25 0.00 0.00 0.00 175.76 175.76 1p91 s PRO 158 N -3.34 3.54 0.00 0.00 0.04 -1.26 -5.05 135.00 128.93 1p91 s PRO 158 Ca 0.28 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1p91 s PRO 158 Cb -0.07 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1p91 s PRO 158 CO 0.16 0.31 0.00 0.00 0.04 0.00 0.00 177.00 177.51 1p91 n LYS 160 N 0.00 1.89 0.25 0.00 5.02 -1.26 -4.78 118.16 119.28 1p91 n LYS 160 Ca 0.00 0.68 0.09 0.00 -2.02 0.00 0.00 58.31 57.07 1p91 n LYS 160 Cb 0.00 -2.43 0.50 0.00 -0.02 0.00 0.00 35.03 33.08 1p91 n LYS 160 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p91 h ALA 161 N 6.06 1.34 0.01 7.82 0.00 -1.93 -0.59 119.26 131.97 1p91 h ALA 161 Ca -0.46 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1p91 h ALA 161 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1p91 h ALA 161 CO 0.87 -0.34 -0.00 0.93 0.00 0.00 0.00 179.25 180.71 1p91 h GLU 162 N 0.00 -0.01 -0.76 0.00 5.08 -1.87 -1.45 114.58 115.58 1p91 h GLU 162 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1p91 h GLU 162 Cb 0.80 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1p91 h GLU 162 CO 0.00 0.70 0.50 0.93 -1.00 0.00 0.00 179.01 180.13 1p91 h GLU 163 N -0.74 0.86 -0.08 2.33 4.39 -1.46 0.24 114.58 120.12 1p91 h GLU 163 Ca -0.00 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.68 1p91 h GLU 163 Cb 0.71 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1p91 h GLU 163 CO 0.00 0.57 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.18 1p91 h LEU 164 N 0.88 -0.51 -0.67 1.33 3.38 -1.43 -0.84 115.31 117.45 1p91 h LEU 164 Ca 0.31 0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.24 1p91 h LEU 164 Cb 0.12 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1p91 h LEU 164 CO -0.10 -0.22 -0.33 0.00 0.09 0.00 0.00 178.44 177.89 1p91 h ALA 165 N 0.75 0.85 -0.10 1.53 0.00 -0.16 -2.87 119.26 119.26 1p91 h ALA 165 Ca 0.08 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1p91 h ALA 165 Cb 0.35 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1p91 h ALA 165 CO -0.22 0.64 -0.02 -0.09 0.00 0.00 0.00 179.25 179.56 1p91 h ARG 166 N 0.57 0.19 0.00 0.00 2.43 -0.13 -3.22 114.38 114.21 1p91 h ARG 166 Ca 0.06 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1p91 h ARG 166 Cb 0.83 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1p91 h ARG 166 CO 0.07 0.50 0.00 0.28 -1.51 0.00 0.00 179.97 179.31 1p91 h VAL 167 N -0.14 0.00 -3.45 0.20 2.07 -1.24 1.01 116.25 114.70 1p91 h VAL 167 Ca 0.02 -0.46 -0.60 0.00 0.82 0.00 0.00 66.70 66.48 1p91 h VAL 167 Cb 0.43 1.39 -0.10 0.00 -1.52 0.00 0.00 31.29 31.49 1p91 h VAL 167 CO 0.01 0.00 0.02 -0.69 0.02 0.00 0.00 177.57 176.93 1p91 s VAL 168 N -3.20 5.07 0.47 2.57 1.01 -1.09 -0.62 120.40 124.62 1p91 s VAL 168 Ca 0.08 1.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.88 1p91 s VAL 168 Cb 0.11 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1p91 s VAL 168 CO 0.55 0.15 0.95 0.29 0.00 0.00 0.00 175.10 177.05 1p91 n LYS 169 N 4.87 1.19 -1.71 2.72 5.02 -1.26 -4.55 118.16 124.43 1p91 n LYS 169 Ca -0.03 0.43 -0.37 0.00 -2.02 0.00 0.00 58.31 56.31 1p91 n LYS 169 Cb 0.50 -2.03 0.06 0.00 -0.02 0.00 0.00 35.03 33.54 1p91 n LYS 169 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1p91 n PRO 170 N -0.09 1.18 -1.10 1.97 -0.04 -1.26 -0.59 135.00 135.07 1p91 n PRO 170 Ca 0.10 0.46 -0.04 0.00 -0.04 0.00 0.00 63.50 63.98 1p91 n PRO 170 Cb 0.41 -2.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 1p91 n PRO 170 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p91 n GLY 171 N 0.95 0.50 1.55 0.55 0.00 0.24 -4.95 105.19 104.04 1p91 n GLY 171 Ca 0.15 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1p91 n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p91 n GLY 172 N -0.63 -0.84 3.24 -0.02 0.00 0.25 -4.61 105.19 102.57 1p91 n GLY 172 Ca -0.04 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.06 1p91 n GLY 172 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1p91 s TRP 173 N -1.93 1.37 -0.05 1.61 0.52 -0.60 -0.98 118.94 118.88 1p91 s TRP 173 Ca 0.29 -0.57 -0.00 0.00 0.02 0.00 0.00 56.10 55.85 1p91 s TRP 173 Cb -0.01 -0.72 0.03 0.00 -1.15 0.00 0.00 33.47 31.62 1p91 s TRP 173 CO 0.20 0.13 -0.01 0.08 0.02 0.00 0.00 176.95 177.38 1p91 s VAL 174 N -2.18 0.34 -0.14 4.03 1.01 -0.32 0.12 120.40 123.25 1p91 s VAL 174 Ca 0.09 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1p91 s VAL 174 Cb -0.05 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1p91 s VAL 174 CO 0.03 0.21 -0.20 -0.63 0.00 0.00 0.00 175.10 174.51 1p91 s ILE 175 N 1.38 2.28 0.26 2.22 1.01 -0.53 -0.18 121.20 127.63 1p91 s ILE 175 Ca -0.04 -0.91 0.11 0.00 0.00 0.00 0.00 60.65 59.81 1p91 s ILE 175 Cb -0.13 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 1p91 s ILE 175 CO -0.02 0.54 -0.14 0.42 0.00 0.00 0.00 174.94 175.73 1p91 s THR 176 N 0.75 2.78 -0.14 2.92 -4.23 -0.70 0.11 115.64 117.13 1p91 s THR 176 Ca -0.08 -2.18 -0.04 0.00 -1.18 0.00 0.00 61.69 58.22 1p91 s THR 176 Cb -0.16 -2.45 0.07 0.00 1.34 0.00 0.00 72.50 71.30 1p91 s THR 176 CO 0.00 -0.34 0.18 0.00 -0.54 0.00 0.00 174.62 173.92 1p91 s ALA 177 N -2.30 -0.15 0.08 3.99 0.00 -1.20 -2.15 121.76 120.03 1p91 s ALA 177 Ca 0.29 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.63 1p91 s ALA 177 Cb -0.06 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1p91 s ALA 177 CO 0.16 -0.90 -0.08 -0.08 0.00 0.00 0.00 175.76 174.86 1p91 s THR 178 N 2.30 0.73 0.29 0.00 -1.32 -0.59 -0.94 115.64 116.11 1p91 s THR 178 Ca 0.04 -1.52 -0.30 0.00 -1.21 0.00 0.00 61.69 58.70 1p91 s THR 178 Cb -0.14 -1.19 -0.11 0.00 -1.51 0.00 0.00 72.50 69.55 1p91 s THR 178 CO -0.09 -0.58 1.57 -2.84 -2.21 0.00 0.00 174.62 170.47 1p91 s PRO 179 N -2.65 4.14 0.72 7.08 0.02 -1.26 -0.20 135.00 142.85 1p91 s PRO 179 Ca 0.02 2.54 -0.02 0.00 0.02 0.00 0.00 61.00 63.55 1p91 s PRO 179 Cb -0.03 -3.04 0.15 0.00 0.02 0.00 0.00 34.50 31.60 1p91 s PRO 179 CO -0.01 -0.60 0.99 0.41 -0.33 0.00 0.00 177.00 177.45 1p91 n GLY 180 N 2.16 0.37 0.32 0.52 0.00 -0.23 -4.75 105.19 103.57 1p91 n GLY 180 Ca 0.08 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 44.24 1p91 n GLY 180 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1p91 h PRO 181 N 0.00 0.48 -0.01 1.61 0.11 -1.92 -2.58 132.00 129.70 1p91 h PRO 181 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1p91 h PRO 181 Cb 1.15 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1p91 h PRO 181 CO 0.33 0.32 -0.36 0.54 -0.21 0.00 0.00 178.00 178.61 1p91 n ARG 182 N -4.97 1.03 -1.70 1.05 1.74 -1.26 -4.97 116.66 107.59 1p91 n ARG 182 Ca 0.22 -0.75 -0.64 0.00 -0.77 0.00 0.00 57.85 55.91 1p91 n ARG 182 Cb 0.62 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.48 1p91 n ARG 182 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1p91 n HIS 183 N -0.33 1.82 -2.35 -1.55 -0.00 -0.97 -4.68 115.22 107.16 1p91 n HIS 183 Ca 0.11 0.92 -0.01 0.00 0.46 0.00 0.00 57.72 59.20 1p91 n HIS 183 Cb 0.41 -2.31 -0.01 0.00 -0.12 0.00 0.00 29.99 27.96 1p91 n HIS 183 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1p91 n LEU 184 N 4.77 -5.32 0.00 0.27 4.77 -0.79 -4.89 117.00 115.81 1p91 n LEU 184 Ca 0.31 2.41 0.00 0.00 -0.03 0.00 0.00 56.01 58.70 1p91 n LEU 184 Cb 0.01 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.20 1p91 n LEU 184 CO 0.87 -2.83 0.00 -0.62 -1.33 0.00 0.00 177.39 173.48 1p91 n GLU 186 N 1.89 0.00 0.12 3.23 4.71 -1.26 -2.65 120.64 126.69 1p91 n GLU 186 Ca -0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.05 1p91 n GLU 186 Cb 0.08 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.49 1p91 n GLU 186 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1p91 h LEU 187 N 0.00 -0.27 -0.44 -4.62 3.38 -1.92 -2.14 115.31 109.30 1p91 h LEU 187 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1p91 h LEU 187 Cb 0.00 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1p91 h LEU 187 CO 0.00 -0.18 0.00 2.29 0.09 0.00 0.00 178.44 180.64 1p91 n LYS 188 N -2.92 0.05 0.24 1.13 2.85 -1.08 0.40 118.16 118.82 1p91 n LYS 188 Ca -0.04 0.52 0.13 0.00 -1.05 0.00 0.00 58.31 57.87 1p91 n LYS 188 Cb 0.12 -1.64 0.43 0.00 -0.65 0.00 0.00 35.03 33.29 1p91 n LYS 188 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1p91 h GLY 189 N 0.22 0.00 2.00 2.58 0.00 -1.65 -2.67 103.07 103.55 1p91 h GLY 189 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1p91 h GLY 189 CO 0.00 0.00 -0.80 1.41 0.00 0.00 0.00 176.54 177.15 1p91 h LEU 190 N 0.00 0.00 -3.75 3.11 3.38 0.28 -3.31 115.31 115.01 1p91 h LEU 190 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1p91 h LEU 190 Cb 0.78 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.10 1p91 h LEU 190 CO 0.01 0.80 -0.77 2.30 0.09 0.00 0.00 178.44 180.87 1p91 n ILE 191 N -3.57 2.56 -3.66 1.22 -5.35 -1.07 -4.99 119.36 104.49 1p91 n ILE 191 Ca -0.01 -4.18 -0.12 0.00 -0.27 0.00 0.00 62.75 58.17 1p91 n ILE 191 Cb 0.77 -1.14 -0.12 0.00 -1.74 0.00 0.00 39.64 37.42 1p91 n ILE 191 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1p91 s TYR 192 N -3.60 -0.54 0.13 4.28 4.12 -1.03 -4.89 117.35 115.82 1p91 s TYR 192 Ca 0.51 1.14 -0.25 0.00 0.02 0.00 0.00 57.07 58.50 1p91 s TYR 192 Cb 0.41 0.07 -0.03 0.00 -1.52 0.00 0.00 41.96 40.90 1p91 s TYR 192 CO 0.04 -0.39 1.64 -2.95 0.02 0.00 0.00 175.55 173.90 1p91 h ASN 193 N 8.22 -0.74 -3.45 2.29 -1.07 -1.90 -3.40 115.58 115.52 1p91 h ASN 193 Ca -0.15 0.11 -0.66 0.00 0.07 0.00 0.00 56.30 55.67 1p91 h ASN 193 Cb 1.11 0.32 -0.20 0.00 -2.07 0.00 0.00 38.32 37.49 1p91 h ASN 193 CO 0.14 -0.30 -0.67 -0.70 0.07 0.00 0.00 177.43 175.96 1p91 s GLU 194 N -6.07 3.19 -0.25 4.14 2.12 -1.26 -5.03 118.70 115.54 1p91 s GLU 194 Ca -0.15 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.67 1p91 s GLU 194 Cb 0.10 -2.76 0.29 0.00 0.26 0.00 0.00 34.13 32.03 1p91 s GLU 194 CO 0.67 0.48 1.62 1.33 -0.54 0.00 0.00 175.26 178.82 1p91 n VAL 195 N 2.79 2.29 -3.75 3.70 0.24 -1.26 -4.91 118.33 117.44 1p91 n VAL 195 Ca -0.18 -1.16 -0.37 0.00 -2.04 0.00 0.00 64.34 60.60 1p91 n VAL 195 Cb 0.53 -0.92 -0.12 0.00 -1.47 0.00 0.00 33.84 31.85 1p91 n VAL 195 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1p91 s HIS 196 N -1.67 3.09 -0.41 6.34 5.04 -1.26 -4.99 115.29 121.43 1p91 s HIS 196 Ca 0.29 -0.39 0.04 0.00 -1.54 0.00 0.00 55.06 53.46 1p91 s HIS 196 Cb 0.24 -2.24 0.17 0.00 0.04 0.00 0.00 32.58 30.78 1p91 s HIS 196 CO 0.04 -0.34 0.44 -0.51 -2.34 0.00 0.00 174.74 172.03 1p91 s LEU 197 N 1.60 -0.01 1.18 8.88 1.43 -1.26 -5.16 118.68 125.33 1p91 s LEU 197 Ca 0.06 -1.96 -0.18 0.00 -1.03 0.00 0.00 54.13 51.03 1p91 s LEU 197 Cb -0.15 0.62 0.27 0.00 0.03 0.00 0.00 46.19 46.96 1p91 s LEU 197 CO 0.04 -0.19 1.09 -2.28 0.23 0.00 0.00 176.35 175.23 1p91 s HIS 198 N 0.99 0.78 -0.84 0.29 5.65 -1.26 -4.89 115.29 116.01 1p91 s HIS 198 Ca 0.23 0.63 -0.31 0.00 0.25 0.00 0.00 55.06 55.87 1p91 s HIS 198 Cb -0.07 -3.35 -0.20 0.00 -1.18 0.00 0.00 32.58 27.78 1p91 s HIS 198 CO -0.07 -3.78 2.40 0.00 -0.65 0.00 0.00 174.74 172.65 1p91 n ALA 199 N -4.73 0.26 -1.88 1.58 0.00 -1.26 -4.90 120.51 109.57 1p91 n ALA 199 Ca 0.11 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1p91 n ALA 199 Cb 0.59 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 1p91 n ALA 199 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1p91 s PRO 200 N 7.82 3.93 0.16 0.00 0.02 -1.26 -4.96 135.00 140.70 1p91 s PRO 200 Ca 1.23 2.16 0.11 0.00 0.02 0.00 0.00 61.00 64.52 1p91 s PRO 200 Cb -1.21 -4.10 -0.04 0.00 0.02 0.00 0.00 34.50 29.17 1p91 s PRO 200 CO 0.48 -1.16 -0.25 -3.38 -0.33 0.00 0.00 177.00 172.36 1p91 s HIS 201 N 5.04 2.28 -0.24 6.54 -3.43 -1.26 -4.93 115.29 119.28 1p91 s HIS 201 Ca 0.81 -0.37 -0.21 0.00 -0.80 0.00 0.00 55.06 54.49 1p91 s HIS 201 Cb -0.34 -1.19 0.03 0.00 -1.43 0.00 0.00 32.58 29.66 1p91 s HIS 201 CO 0.34 0.40 0.35 0.00 -2.00 0.00 0.00 174.74 173.83 1p91 n ALA 202 N 0.63 -2.18 -2.66 -1.38 0.00 -1.26 -4.95 120.51 108.71 1p91 n ALA 202 Ca -0.16 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1p91 n ALA 202 Cb 0.54 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 1p91 n ALA 202 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1p91 s GLU 203 N -1.78 4.26 0.10 0.00 2.12 -1.26 -5.02 118.70 117.12 1p91 s GLU 203 Ca 0.20 1.01 0.07 0.00 0.36 0.00 0.00 54.97 56.61 1p91 s GLU 203 Cb -0.02 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1p91 s GLU 203 CO 0.47 -0.40 -0.17 -0.65 -0.54 0.00 0.00 175.26 173.97 1p91 s GLN 204 N 2.39 1.00 -0.38 4.30 -1.52 -1.26 -5.11 119.66 119.08 1p91 s GLN 204 Ca 0.38 -1.10 0.01 0.00 -1.95 0.00 0.00 55.36 52.70 1p91 s GLN 204 Cb -0.16 -1.11 0.12 0.00 -0.22 0.00 0.00 33.01 31.64 1p91 s GLN 204 CO 0.11 0.25 0.16 -0.51 -0.25 0.00 0.00 175.29 175.04 1p91 s LEU 205 N -1.94 2.87 0.27 2.90 1.43 -1.26 -4.97 118.68 117.98 1p91 s LEU 205 Ca 0.04 -2.19 -0.30 0.00 -1.03 0.00 0.00 54.13 50.65 1p91 s LEU 205 Cb -0.09 -1.08 -0.13 0.00 0.03 0.00 0.00 46.19 44.92 1p91 s LEU 205 CO 0.03 -0.34 1.41 -0.62 0.23 0.00 0.00 176.35 177.06 1p91 n GLU 206 N 4.14 2.14 -0.04 1.70 1.02 -1.26 -0.55 120.64 127.78 1p91 n GLU 206 Ca 0.04 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1p91 n GLU 206 Cb 0.38 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 1p91 n GLU 206 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p91 n GLY 207 N 1.87 0.79 3.28 0.62 0.00 -1.26 -4.80 105.19 105.70 1p91 n GLY 207 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 1p91 n GLY 207 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p91 s PHE 208 N -2.32 1.60 -0.20 1.61 0.40 0.28 -3.02 117.98 116.34 1p91 s PHE 208 Ca 0.00 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1p91 s PHE 208 Cb 0.00 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.74 1p91 s PHE 208 CO 0.00 0.22 -0.14 -0.08 0.70 0.00 0.00 175.22 175.92 1p91 s THR 209 N -2.00 1.87 0.00 0.64 -1.32 -0.25 -4.74 115.64 109.85 1p91 s THR 209 Ca 0.11 -1.04 -0.32 0.00 -1.21 0.00 0.00 61.69 59.23 1p91 s THR 209 Cb -0.06 -1.83 -0.10 0.00 -1.51 0.00 0.00 72.50 69.00 1p91 s THR 209 CO 0.04 0.30 1.91 -0.11 -2.21 0.00 0.00 174.62 174.56 1p91 n LEU 210 N 4.63 3.86 -0.06 9.08 7.94 -1.26 -1.62 117.00 139.57 1p91 n LEU 210 Ca -0.17 0.94 -0.01 0.00 -1.11 0.00 0.00 56.01 55.66 1p91 n LEU 210 Cb 0.47 -1.47 -0.15 0.00 0.53 0.00 0.00 43.42 42.80 1p91 n LEU 210 CO 0.22 0.09 -0.96 0.00 -1.11 0.00 0.00 177.39 175.64 1p91 n GLN 211 N 6.85 0.77 -3.59 1.96 1.13 0.27 -4.91 117.38 119.87 1p91 n GLN 211 Ca 0.21 -0.09 -0.15 0.00 -1.94 0.00 0.00 57.00 55.03 1p91 n GLN 211 Cb 0.36 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.15 1p91 n GLN 211 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1p91 s GLN 212 N -2.88 0.91 -0.03 -1.09 0.74 -1.06 -4.98 119.66 111.28 1p91 s GLN 212 Ca -0.09 0.72 0.02 0.00 0.05 0.00 0.00 55.36 56.06 1p91 s GLN 212 Cb 0.09 0.44 0.01 0.00 1.10 0.00 0.00 33.01 34.64 1p91 s GLN 212 CO 0.81 -0.18 -0.07 0.45 -0.55 0.00 0.00 175.29 175.75 1p91 s SER 213 N -0.20 1.02 0.04 6.67 0.15 -1.26 -0.15 113.70 119.97 1p91 s SER 213 Ca -0.04 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 1p91 s SER 213 Cb -0.03 -0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 63.93 1p91 s SER 213 CO 0.04 0.03 -0.01 0.00 1.20 0.00 0.00 173.24 174.50 1p91 s ALA 214 N 0.36 0.28 0.19 5.45 0.00 -0.29 -5.00 121.76 122.76 1p91 s ALA 214 Ca -0.05 -0.89 0.11 0.00 0.00 0.00 0.00 51.96 51.13 1p91 s ALA 214 Cb -0.09 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1p91 s ALA 214 CO 0.00 -0.29 -0.24 -1.21 0.00 0.00 0.00 175.76 174.02 1p91 s GLU 215 N -2.89 1.51 -0.27 0.00 0.41 -1.26 -0.74 118.70 115.45 1p91 s GLU 215 Ca -0.03 -1.52 -0.01 0.00 -0.41 0.00 0.00 54.97 53.01 1p91 s GLU 215 Cb 0.00 -1.84 0.13 0.00 -1.78 0.00 0.00 34.13 30.64 1p91 s GLU 215 CO -0.06 0.40 0.28 -1.17 -0.49 0.00 0.00 175.26 174.21 1p91 s LEU 216 N -2.64 -0.18 -0.16 1.80 2.96 -0.14 -4.97 118.68 115.36 1p91 s LEU 216 Ca 0.20 -0.67 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1p91 s LEU 216 Cb -0.08 0.45 0.02 0.00 0.50 0.00 0.00 46.19 47.08 1p91 s LEU 216 CO 0.10 -0.38 -0.21 0.00 -1.32 0.00 0.00 176.35 174.54 1p91 s TYR 218 N 1.05 -0.08 0.00 0.00 -0.85 -1.04 -4.93 117.35 111.51 1p91 s TYR 218 Ca -0.01 0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.68 1p91 s TYR 218 Cb -0.14 0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.21 1p91 s TYR 218 CO -0.07 -0.24 0.00 -0.35 -1.52 0.00 0.00 175.55 173.37 1p91 n PRO 219 N 1.93 -0.11 -3.18 -3.49 -0.04 -1.26 -1.62 135.00 127.23 1p91 n PRO 219 Ca -0.19 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.29 1p91 n PRO 219 Cb 0.57 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 1p91 n PRO 219 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1p91 s ARG 221 N -2.24 0.72 0.27 0.54 1.81 -1.26 -4.91 118.95 113.87 1p91 s ARG 221 Ca 0.00 -0.00 -0.02 0.00 -1.72 0.00 0.00 55.73 53.99 1p91 s ARG 221 Cb 0.00 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.60 1p91 s ARG 221 CO 0.00 -1.11 0.49 -0.51 -0.68 0.00 0.00 175.30 173.48 1p91 s LEU 222 N 2.16 4.11 0.05 2.53 1.43 0.22 -4.89 118.68 124.30 1p91 s LEU 222 Ca 0.14 0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 53.70 1p91 s LEU 222 Cb -0.06 -3.32 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 1p91 s LEU 222 CO -0.13 -0.16 0.28 -0.60 0.23 0.00 0.00 176.35 175.97 1p91 s ARG 223 N -3.69 3.56 0.19 1.70 3.52 -1.26 0.19 118.95 123.17 1p91 s ARG 223 Ca 0.41 -0.15 -0.03 0.00 -0.13 0.00 0.00 55.73 55.83 1p91 s ARG 223 Cb -0.10 -3.01 0.38 0.00 -1.56 0.00 0.00 34.95 30.65 1p91 s ARG 223 CO 0.31 0.60 1.04 0.41 -0.81 0.00 0.00 175.30 176.84 1p91 n GLY 224 N 0.71 -1.04 0.25 8.12 0.00 0.66 -0.11 105.19 113.78 1p91 n GLY 224 Ca -0.08 0.69 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 1p91 n GLY 224 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1p91 h ASP 225 N 0.00 0.86 0.04 1.61 2.03 -1.82 -1.90 116.42 117.25 1p91 h ASP 225 Ca 0.35 -0.42 0.01 0.00 -0.73 0.00 0.00 57.03 56.24 1p91 h ASP 225 Cb 0.60 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.85 1p91 h ASP 225 CO -0.66 1.18 -0.06 -0.33 -1.03 0.00 0.00 179.24 178.33 1p91 h GLU 226 N 0.64 -0.12 -0.50 4.15 5.08 -0.90 0.31 114.58 123.24 1p91 h GLU 226 Ca 0.04 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.50 1p91 h GLU 226 Cb 1.01 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.22 1p91 h GLU 226 CO 0.10 -0.08 0.06 0.00 -1.00 0.00 0.00 179.01 178.08 1p91 h ALA 227 N 0.82 0.53 -0.86 3.43 0.00 -1.18 0.50 119.26 122.50 1p91 h ALA 227 Ca 0.01 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1p91 h ALA 227 Cb 0.14 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1p91 h ALA 227 CO -0.03 -0.35 0.55 0.28 0.00 0.00 0.00 179.25 179.70 1p91 h VAL 228 N 0.18 1.13 -0.40 0.00 2.07 -0.73 -0.09 116.25 118.41 1p91 h VAL 228 Ca 0.25 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 1p91 h VAL 228 Cb 0.36 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1p91 h VAL 228 CO -0.37 0.20 -0.19 0.00 0.02 0.00 0.00 177.57 177.23 1p91 h ALA 229 N 1.36 0.56 -0.41 1.67 0.00 0.12 -1.80 119.26 120.77 1p91 h ALA 229 Ca 0.35 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1p91 h ALA 229 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1p91 h ALA 229 CO -0.12 0.52 0.26 1.25 0.00 0.00 0.00 179.25 181.15 1p91 h LEU 230 N 0.65 0.48 -2.25 0.00 5.85 -0.48 -0.90 115.31 118.66 1p91 h LEU 230 Ca 0.09 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1p91 h LEU 230 Cb 0.75 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1p91 h LEU 230 CO 0.06 0.37 -0.04 0.25 -0.34 0.00 0.00 178.44 178.74 1p91 h LEU 231 N 0.54 0.00 -2.76 2.25 5.85 -0.86 -2.16 115.31 118.17 1p91 h LEU 231 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1p91 h LEU 231 Cb -0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1p91 h LEU 231 CO -0.03 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.11 1p91 n GLN 232 N -3.91 0.81 -0.62 1.25 6.02 -0.34 -4.33 117.38 116.25 1p91 n GLN 232 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1p91 n GLN 232 Cb 0.12 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1p91 n GLN 232 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1p91 n THR 234 N 1.23 0.00 -0.17 5.09 -2.24 -0.82 -5.06 114.28 112.32 1p91 n THR 234 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1p91 n THR 234 Cb 0.40 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 68.98 1p91 n THR 234 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1p91 h PRO 235 N 0.59 0.74 -0.00 -0.78 0.11 -1.93 -2.50 132.00 128.22 1p91 h PRO 235 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1p91 h PRO 235 Cb 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1p91 h PRO 235 CO 0.00 0.49 -0.03 1.97 -0.21 0.00 0.00 178.00 180.21 1p91 n PHE 236 N -4.47 0.00 -0.31 0.65 1.16 -1.26 -4.30 117.46 108.92 1p91 n PHE 236 Ca 0.10 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.69 1p91 n PHE 236 Cb 0.19 -0.21 0.08 0.00 -1.61 0.00 0.00 39.48 37.93 1p91 n PHE 236 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1p91 h ALA 237 N 3.57 0.36 0.00 1.98 0.00 -1.64 0.44 119.26 123.98 1p91 h ALA 237 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1p91 h ALA 237 Cb 0.27 0.78 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1p91 h ALA 237 CO 0.00 -0.50 0.65 0.11 0.00 0.00 0.00 179.25 179.51 1p91 h TRP 238 N -0.03 0.00 0.01 0.00 5.08 -1.83 0.41 115.95 119.60 1p91 h TRP 238 Ca 0.37 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 60.08 1p91 h TRP 238 Cb 0.62 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.74 1p91 h TRP 238 CO -0.73 0.00 -1.41 0.00 -1.28 0.00 0.00 178.44 175.02 1p91 h ARG 239 N 0.00 0.03 -6.23 0.12 3.08 -1.24 -3.47 114.38 106.67 1p91 h ARG 239 Ca 0.00 -0.05 -0.69 0.00 0.07 0.00 0.00 59.98 59.31 1p91 h ARG 239 Cb 1.30 0.02 0.03 0.00 0.08 0.00 0.00 29.97 31.40 1p91 h ARG 239 CO 0.00 0.77 0.78 0.00 -1.07 0.00 0.00 179.97 180.45 1p91 n ALA 240 N -2.49 -0.17 -1.41 0.04 0.00 0.15 -4.95 120.51 111.67 1p91 n ALA 240 Ca -0.10 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 1p91 n ALA 240 Cb 1.01 -2.23 0.11 0.00 0.00 0.00 0.00 19.45 18.34 1p91 n ALA 240 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1p91 s LYS 241 N 2.45 1.66 0.05 0.00 -0.14 -1.26 -4.87 119.74 117.64 1p91 s LYS 241 Ca 0.92 0.68 -0.25 0.00 -1.36 0.00 0.00 55.97 55.95 1p91 s LYS 241 Cb -0.95 -1.87 -0.17 0.00 -1.68 0.00 0.00 37.83 33.16 1p91 s LYS 241 CO 0.56 -1.92 1.55 -1.35 -0.76 0.00 0.00 175.35 173.42 1p91 h PRO 242 N -1.31 -0.21 -1.04 -1.68 0.11 -1.99 -1.78 132.00 124.09 1p91 h PRO 242 Ca -0.48 0.01 0.28 0.00 0.11 0.00 0.00 66.00 65.92 1p91 h PRO 242 Cb 1.28 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.37 1p91 h PRO 242 CO 0.58 -0.02 0.70 1.05 -0.21 0.00 0.00 178.00 180.10 1p91 h GLU 243 N -0.37 0.23 -0.07 1.05 4.11 -1.99 0.46 114.58 118.00 1p91 h GLU 243 Ca -0.02 -0.01 -0.21 0.00 0.07 0.00 0.00 59.36 59.18 1p91 h GLU 243 Cb 0.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1p91 h GLU 243 CO 0.04 0.15 -0.82 0.28 0.07 0.00 0.00 179.01 178.73 1p91 h VAL 244 N 0.23 1.35 -0.23 -1.06 2.07 -1.80 -1.35 116.25 115.47 1p91 h VAL 244 Ca 0.55 -2.19 -0.08 0.00 0.82 0.00 0.00 66.70 65.79 1p91 h VAL 244 Cb 1.70 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1p91 h VAL 244 CO -0.16 0.67 -0.17 -0.50 0.02 0.00 0.00 177.57 177.42 1p91 h TRP 245 N 0.33 0.61 -0.01 1.57 4.06 0.62 -1.91 115.95 121.22 1p91 h TRP 245 Ca -0.06 -0.17 -0.00 0.00 2.06 0.00 0.00 58.89 60.72 1p91 h TRP 245 Cb 1.43 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 29.45 1p91 h TRP 245 CO 0.06 0.83 0.00 1.96 -3.56 0.00 0.00 178.44 177.73 1p91 h GLN 246 N 0.22 0.01 0.57 0.49 1.08 -0.82 -2.45 115.11 114.21 1p91 h GLN 246 Ca 0.04 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1p91 h GLN 246 Cb 0.70 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1p91 h GLN 246 CO 0.05 0.16 -0.43 1.15 -0.95 0.00 0.00 178.83 178.81 1p91 h THR 247 N -0.14 0.00 -0.99 -0.54 2.02 -1.25 -1.48 112.91 110.53 1p91 h THR 247 Ca 0.00 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.42 1p91 h THR 247 Cb 0.15 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.44 1p91 h THR 247 CO -0.00 0.00 0.56 0.25 0.37 0.00 0.00 175.52 176.70 1p91 h LEU 248 N -0.96 0.63 -1.24 2.58 5.85 -1.41 0.11 115.31 120.86 1p91 h LEU 248 Ca -0.08 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1p91 h LEU 248 Cb 0.80 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1p91 h LEU 248 CO 0.03 0.11 -0.04 0.00 -0.34 0.00 0.00 178.44 178.20 1p91 h ALA 249 N 1.72 1.38 -0.03 1.25 0.00 -1.01 -2.87 119.26 119.70 1p91 h ALA 249 Ca 0.62 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 55.14 1p91 h ALA 249 Cb 1.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1p91 h ALA 249 CO -0.47 0.43 -0.80 0.00 0.00 0.00 0.00 179.25 178.40 1p91 h ALA 250 N 1.52 0.57 -2.31 0.00 0.00 0.24 -3.37 119.26 115.91 1p91 h ALA 250 Ca 0.10 -0.66 -0.57 0.00 0.00 0.00 0.00 54.91 53.77 1p91 h ALA 250 Cb 0.35 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 18.12 1p91 h ALA 250 CO 0.01 0.83 0.98 1.63 0.00 0.00 0.00 179.25 182.70 1p91 n LYS 251 N -3.75 2.40 0.22 0.00 5.02 -0.81 -4.86 118.16 116.37 1p91 n LYS 251 Ca -0.04 0.87 0.11 0.00 -2.02 0.00 0.00 58.31 57.23 1p91 n LYS 251 Cb 0.75 -2.70 0.37 0.00 -0.02 0.00 0.00 35.03 33.43 1p91 n LYS 251 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1p91 h GLU 252 N 7.57 0.00 -2.15 1.97 5.08 -1.87 0.19 114.58 125.36 1p91 h GLU 252 Ca -0.46 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.79 1p91 h GLU 252 Cb 1.24 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.21 1p91 h GLU 252 CO 0.93 0.16 -0.41 0.54 -1.00 0.00 0.00 179.01 179.22 1p91 s VAL 253 N -3.42 -0.66 -0.09 3.13 0.11 -1.26 -3.94 120.40 114.27 1p91 s VAL 253 Ca 0.03 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.17 1p91 s VAL 253 Cb 0.08 -0.75 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1p91 s VAL 253 CO 0.64 -0.02 -0.21 0.12 -3.33 0.00 0.00 175.10 172.30 1p91 s PHE 254 N 2.60 2.59 -0.16 1.54 5.36 0.52 -4.93 117.98 125.49 1p91 s PHE 254 Ca 0.06 -0.77 -0.06 0.00 -0.96 0.00 0.00 56.93 55.20 1p91 s PHE 254 Cb -0.14 -1.70 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 1p91 s PHE 254 CO -0.15 -0.25 0.03 -0.51 -1.46 0.00 0.00 175.22 172.88 1p91 s ASP 255 N 0.08 5.38 -0.01 6.13 1.01 -1.26 0.73 116.67 128.73 1p91 s ASP 255 Ca -0.09 0.04 -0.24 0.00 0.71 0.00 0.00 52.55 52.97 1p91 s ASP 255 Cb -0.15 -1.86 0.05 0.00 1.01 0.00 0.00 42.92 41.96 1p91 s ASP 255 CO 0.06 0.20 0.52 0.00 0.21 0.00 0.00 175.17 176.16 1p91 s GLN 257 N -1.60 2.57 0.04 0.00 -2.07 -1.26 -4.64 119.66 112.70 1p91 s GLN 257 Ca -0.10 -0.95 0.07 0.00 -1.82 0.00 0.00 55.36 52.56 1p91 s GLN 257 Cb -0.02 -2.56 -0.02 0.00 -1.09 0.00 0.00 33.01 29.32 1p91 s GLN 257 CO 0.05 -0.64 -0.19 -0.08 -1.32 0.00 0.00 175.29 173.11 1p91 s THR 258 N -2.67 1.54 -0.24 3.63 -1.32 -0.64 -1.88 115.64 114.07 1p91 s THR 258 Ca 0.57 -1.17 -0.04 0.00 -1.21 0.00 0.00 61.69 59.84 1p91 s THR 258 Cb -0.10 -1.35 0.08 0.00 -1.51 0.00 0.00 72.50 69.62 1p91 s THR 258 CO 0.37 0.15 0.11 -0.62 -2.21 0.00 0.00 174.62 172.42 1p91 s ASP 259 N -1.20 3.02 -0.17 8.08 -1.08 -1.26 -2.50 116.67 121.56 1p91 s ASP 259 Ca 0.06 -0.99 -0.01 0.00 -0.52 0.00 0.00 52.55 51.09 1p91 s ASP 259 Cb -0.09 -0.33 -0.00 0.00 -1.46 0.00 0.00 42.92 41.04 1p91 s ASP 259 CO 0.02 -0.39 -0.12 -0.36 0.52 0.00 0.00 175.17 174.83 1p91 s PHE 260 N 2.09 2.84 -0.14 -5.34 2.99 -0.38 -1.07 117.98 118.96 1p91 s PHE 260 Ca 0.06 -0.99 -0.14 0.00 0.00 0.00 0.00 56.93 55.85 1p91 s PHE 260 Cb -0.16 -1.94 -0.05 0.00 0.00 0.00 0.00 43.02 40.87 1p91 s PHE 260 CO -0.23 -0.47 0.32 1.21 -0.00 0.00 0.00 175.22 176.04 1p91 s ASN 261 N 0.94 6.49 -0.11 1.36 3.04 0.72 -0.96 114.94 126.42 1p91 s ASN 261 Ca -0.02 0.57 0.01 0.00 0.04 0.00 0.00 52.86 53.46 1p91 s ASN 261 Cb -0.15 -2.20 0.02 0.00 -1.54 0.00 0.00 41.25 37.38 1p91 s ASN 261 CO -0.01 0.11 -0.14 -0.63 -3.04 0.00 0.00 177.10 173.39 1p91 s ILE 262 N 0.36 1.39 -0.07 -5.21 1.01 0.08 -1.54 121.20 117.23 1p91 s ILE 262 Ca 0.18 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.30 1p91 s ILE 262 Cb -0.13 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1p91 s ILE 262 CO 0.05 0.42 -0.18 -1.00 0.00 0.00 0.00 174.94 174.24 1p91 s HIS 263 N 1.11 2.63 -0.40 3.97 3.76 -0.91 -1.14 115.29 124.31 1p91 s HIS 263 Ca -0.04 -0.42 -0.05 0.00 -0.15 0.00 0.00 55.06 54.39 1p91 s HIS 263 Cb -0.14 -1.66 0.09 0.00 1.11 0.00 0.00 32.58 31.98 1p91 s HIS 263 CO -0.03 -0.02 0.20 -1.17 -0.85 0.00 0.00 174.74 172.87 1p91 s LEU 264 N -0.35 5.06 -0.12 0.89 2.96 0.79 -1.71 118.68 126.20 1p91 s LEU 264 Ca 0.03 -1.76 -0.09 0.00 -0.22 0.00 0.00 54.13 52.09 1p91 s LEU 264 Cb -0.12 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1p91 s LEU 264 CO 0.02 -0.51 0.18 0.26 -1.32 0.00 0.00 176.35 174.98 1p91 s TRP 265 N 1.25 3.59 -0.07 5.38 0.52 0.75 -0.56 118.94 129.79 1p91 s TRP 265 Ca 0.05 0.57 0.01 0.00 0.02 0.00 0.00 56.10 56.75 1p91 s TRP 265 Cb -0.23 -2.03 -0.03 0.00 -1.15 0.00 0.00 33.47 30.04 1p91 s TRP 265 CO -0.02 0.65 -0.10 -1.14 0.02 0.00 0.00 176.95 176.37 1p91 s GLN 266 N -0.81 2.80 -0.08 4.98 0.74 -0.64 -1.18 119.66 125.47 1p91 s GLN 266 Ca 0.15 -0.60 -0.30 0.00 0.05 0.00 0.00 55.36 54.66 1p91 s GLN 266 Cb -0.13 -2.55 -0.02 0.00 1.10 0.00 0.00 33.01 31.41 1p91 s GLN 266 CO 0.04 0.58 1.07 0.50 -0.55 0.00 0.00 175.29 176.94 1p91 s ARG 267 N -0.60 4.40 0.53 1.67 6.06 -0.15 -1.09 118.95 129.78 1p91 s ARG 267 Ca 0.09 1.49 -0.22 0.00 -2.50 0.00 0.00 55.73 54.59 1p91 s ARG 267 Cb -0.12 -3.54 -0.06 0.00 0.06 0.00 0.00 34.95 31.30 1p91 s ARG 267 CO 0.02 -0.35 1.29 0.43 -2.50 0.00 0.00 175.30 174.19 1p91 n SER 268 N 5.02 2.41 -0.05 -2.12 7.64 -1.17 0.83 113.62 126.17 1p91 n SER 268 Ca 0.09 0.98 0.16 0.00 1.01 0.00 0.00 58.87 61.11 1p91 n SER 268 Cb 0.48 -1.54 0.90 0.00 -1.01 0.00 0.00 64.21 63.04 1p91 n SER 268 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81