#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4y n VAL 2 N 0.00-12.69 -3.18 0.00 3.14 -1.26 -3.17 118.33 101.17 1r4y n VAL 2 Ca 0.00 2.96 -0.42 0.00 -2.96 0.00 0.00 64.34 63.92 1r4y n VAL 2 Cb 0.00 -5.89 -0.07 0.00 -1.06 0.00 0.00 33.84 26.82 1r4y n VAL 2 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1r4y s THR 3 N -0.56 4.93 0.28 1.55 2.01 -1.26 -0.90 115.64 121.69 1r4y s THR 3 Ca 0.00 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 1r4y s THR 3 Cb 0.00 -4.07 -0.09 0.00 0.01 0.00 0.00 72.50 68.35 1r4y s THR 3 CO 0.00 -0.37 1.00 0.26 -0.69 0.00 0.00 174.62 174.82 1r4y s TRP 4 N 2.58 3.77 -0.10 4.92 0.52 -0.05 -4.54 118.94 126.04 1r4y s TRP 4 Ca 0.21 1.81 -0.01 0.00 0.02 0.00 0.00 56.10 58.14 1r4y s TRP 4 Cb -0.15 -3.07 0.03 0.00 -1.15 0.00 0.00 33.47 29.12 1r4y s TRP 4 CO 0.15 0.04 -0.06 0.99 0.02 0.00 0.00 176.95 178.10 1r4y s THR 5 N -1.27 0.88 -0.85 2.01 2.01 -1.19 -0.10 115.64 117.14 1r4y s THR 5 Ca 0.45 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.22 1r4y s THR 5 Cb -0.26 -0.93 0.30 0.00 0.01 0.00 0.00 72.50 71.61 1r4y s THR 5 CO 0.33 0.34 2.11 0.00 -0.69 0.00 0.00 174.62 176.71 1r4y n GLY 7 N -0.16 -0.16 0.00 0.00 0.00 -1.26 -4.63 105.19 98.97 1r4y n GLY 7 Ca 0.52 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1r4y n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r4y n GLY 8 N -2.35 -1.92 3.48 -0.02 0.00 -1.26 -4.93 105.19 98.19 1r4y n GLY 8 Ca -0.31 0.64 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 1r4y n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r4y s LEU 9 N -1.16 2.62 0.67 0.99 1.43 -1.26 -5.15 118.68 116.82 1r4y s LEU 9 Ca 0.00 -0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 52.03 1r4y s LEU 9 Cb 0.00 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 45.08 1r4y s LEU 9 CO 0.00 0.05 1.02 -0.76 0.23 0.00 0.00 176.35 176.88 1r4y s LEU 10 N -3.43 3.00 -0.45 1.79 1.43 -1.26 -3.42 118.68 116.34 1r4y s LEU 10 Ca 0.29 0.88 0.07 0.00 -1.03 0.00 0.00 54.13 54.34 1r4y s LEU 10 Cb -0.05 -3.65 0.18 0.00 0.03 0.00 0.00 46.19 42.69 1r4y s LEU 10 CO 0.15 -1.29 0.63 -0.31 0.23 0.00 0.00 176.35 175.76 1r4y s TYR 11 N -3.22 -1.41 -0.21 0.29 2.02 0.86 -4.39 117.35 111.29 1r4y s TYR 11 Ca 0.57 -0.30 -0.33 0.00 -0.37 0.00 0.00 57.07 56.64 1r4y s TYR 11 Cb -0.11 0.18 -0.10 0.00 -0.40 0.00 0.00 41.96 41.53 1r4y s TYR 11 CO 0.48 -1.18 2.06 -1.71 -1.57 0.00 0.00 175.55 173.63 1r4y n ASN 12 N 3.76 2.93 -0.25 2.29 5.15 -1.26 -0.87 115.26 127.01 1r4y n ASN 12 Ca 0.15 0.62 0.22 0.00 -0.60 0.00 0.00 54.58 54.96 1r4y n ASN 12 Cb 0.55 -1.37 0.56 0.00 -0.53 0.00 0.00 39.78 38.99 1r4y n ASN 12 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1r4y h GLN 13 N 11.52 0.31 -1.39 1.20 5.75 -0.97 0.18 115.11 131.71 1r4y h GLN 13 Ca -0.40 -0.02 0.43 0.00 -0.15 0.00 0.00 58.65 58.51 1r4y h GLN 13 Cb 1.28 -0.07 -0.11 0.00 1.07 0.00 0.00 27.48 29.66 1r4y h GLN 13 CO 0.98 0.20 0.93 -0.97 -2.65 0.00 0.00 178.83 177.32 1r4y h ASN 14 N 0.32 0.20 0.00 -0.69 -0.73 -1.81 0.22 115.58 113.09 1r4y h ASN 14 Ca 0.49 0.09 -0.32 0.00 1.87 0.00 0.00 56.30 58.42 1r4y h ASN 14 Cb 1.36 0.08 -0.05 0.00 0.27 0.00 0.00 38.32 39.98 1r4y h ASN 14 CO -0.16 -0.10 -1.87 0.29 -0.37 0.00 0.00 177.43 175.21 1r4y n LYS 15 N -4.49 0.57 -0.51 6.67 5.02 0.54 -2.86 118.16 123.10 1r4y n LYS 15 Ca 0.36 0.38 0.41 0.00 -2.02 0.00 0.00 58.31 57.44 1r4y n LYS 15 Cb 1.45 -1.59 0.71 0.00 -0.02 0.00 0.00 35.03 35.58 1r4y n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r4y h ALA 16 N -0.82 3.12 0.01 7.82 0.00 -0.38 0.56 119.26 129.57 1r4y h ALA 16 Ca -0.49 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 1r4y h ALA 16 Cb 1.40 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1r4y h ALA 16 CO -0.30 -1.69 -0.73 1.05 0.00 0.00 0.00 179.25 177.58 1r4y h GLU 17 N 0.06 0.03 -0.55 0.00 4.11 -0.84 -3.34 114.58 114.05 1r4y h GLU 17 Ca 0.82 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 60.18 1r4y h GLU 17 Cb 2.88 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 32.13 1r4y h GLU 17 CO -0.24 1.03 0.26 1.03 0.07 0.00 0.00 179.01 181.16 1r4y h SER 18 N -0.92 0.72 -1.06 3.06 0.87 -0.96 0.64 113.55 115.90 1r4y h SER 18 Ca -0.19 -0.13 0.31 0.00 -1.23 0.00 0.00 61.79 60.55 1r4y h SER 18 Cb 1.23 -0.18 -0.13 0.00 -0.44 0.00 0.00 62.40 62.87 1r4y h SER 18 CO -0.09 0.65 0.64 -1.13 -0.53 0.00 0.00 176.83 176.37 1r4y h ASN 19 N 0.74 0.50 1.07 6.23 -0.00 -0.15 0.32 115.58 124.27 1r4y h ASN 19 Ca 0.19 0.15 -0.18 0.00 -0.00 0.00 0.00 56.30 56.46 1r4y h ASN 19 Cb 0.12 0.09 -0.03 0.00 -0.00 0.00 0.00 38.32 38.50 1r4y h ASN 19 CO -0.02 -0.05 -0.87 0.77 -0.00 0.00 0.00 177.43 177.26 1r4y h SER 20 N 0.36 0.00 -0.65 1.15 4.64 -1.06 -2.55 113.55 115.44 1r4y h SER 20 Ca 0.70 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 62.07 1r4y h SER 20 Cb 1.68 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.72 1r4y h SER 20 CO -0.49 0.87 0.37 0.45 -0.87 0.00 0.00 176.83 177.16 1r4y h HIS 21 N 0.00 0.68 0.07 4.77 3.86 0.11 -3.07 115.15 121.56 1r4y h HIS 21 Ca -0.01 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 1r4y h HIS 21 Cb 1.63 -0.21 0.01 0.00 1.06 0.00 0.00 27.41 29.91 1r4y h HIS 21 CO 0.00 0.34 -0.52 0.45 0.86 0.00 0.00 177.93 179.05 1r4y h HIS 22 N 0.69 0.39 -1.30 2.45 3.86 -1.52 -3.47 115.15 116.27 1r4y h HIS 22 Ca 0.29 -0.26 -0.74 0.00 -1.16 0.00 0.00 60.37 58.49 1r4y h HIS 22 Cb 0.15 -0.02 0.06 0.00 1.06 0.00 0.00 27.41 28.65 1r4y h HIS 22 CO -0.07 1.16 0.18 0.00 0.86 0.00 0.00 177.93 180.06 1r4y n ALA 23 N -2.62 -2.51 -2.23 2.45 0.00 -0.96 -4.85 120.51 109.79 1r4y n ALA 23 Ca -0.12 0.56 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1r4y n ALA 23 Cb 0.68 -1.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1r4y n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1r4y s PRO 24 N 0.10 4.25 -0.83 0.00 0.04 -1.26 -4.89 135.00 132.40 1r4y s PRO 24 Ca 0.86 1.93 -0.26 0.00 0.04 0.00 0.00 61.00 63.58 1r4y s PRO 24 Cb -1.12 -3.71 -0.14 0.00 0.04 0.00 0.00 34.50 29.58 1r4y s PRO 24 CO 0.53 -0.66 2.34 -1.17 0.04 0.00 0.00 177.00 178.08 1r4y s LEU 25 N 3.00 2.83 -0.10 -3.56 2.96 -1.26 -4.67 118.68 117.88 1r4y s LEU 25 Ca 0.64 -0.14 -0.33 0.00 -0.22 0.00 0.00 54.13 54.08 1r4y s LEU 25 Cb -0.29 -2.56 0.14 0.00 0.50 0.00 0.00 46.19 43.98 1r4y s LEU 25 CO 0.24 -3.88 1.35 -0.44 -1.32 0.00 0.00 176.35 172.31 1r4y s SER 26 N 10.36 -0.04 -0.15 3.68 0.01 -1.26 -5.02 113.70 121.28 1r4y s SER 26 Ca 0.89 -0.05 -0.00 0.00 1.31 0.00 0.00 55.95 58.10 1r4y s SER 26 Cb -0.11 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.19 1r4y s SER 26 CO 0.08 -0.14 -0.13 -0.62 0.41 0.00 0.00 173.24 172.84 1r4y s ASP 27 N -2.78 3.88 -1.17 2.44 2.15 -1.26 -4.20 116.67 115.74 1r4y s ASP 27 Ca 0.14 -0.40 -0.07 0.00 0.43 0.00 0.00 52.55 52.65 1r4y s ASP 27 Cb 0.05 -1.60 -0.03 0.00 -0.30 0.00 0.00 42.92 41.04 1r4y s ASP 27 CO -0.05 0.11 0.84 0.61 -0.17 0.00 0.00 175.17 176.51 1r4y n GLY 28 N 3.90 -0.75 1.33 2.66 0.00 -1.17 -4.24 105.19 106.92 1r4y n GLY 28 Ca -0.19 0.35 0.03 0.00 0.00 0.00 0.00 46.02 46.21 1r4y n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r4y n LYS 29 N -3.88 0.00 -4.20 1.61 4.81 -1.26 -4.92 118.16 110.32 1r4y n LYS 29 Ca -0.18 -1.80 -0.16 0.00 -0.87 0.00 0.00 58.31 55.30 1r4y n LYS 29 Cb 0.64 -0.05 -0.14 0.00 0.02 0.00 0.00 35.03 35.51 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1r4y s THR 30 N 0.00 0.58 0.07 3.15 -4.23 -1.26 -5.03 115.64 108.92 1r4y s THR 30 Ca 0.28 -0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 60.09 1r4y s THR 30 Cb 0.32 -0.54 -0.03 0.00 1.34 0.00 0.00 72.50 73.59 1r4y s THR 30 CO -0.14 -0.01 1.23 1.23 -0.54 0.00 0.00 174.62 176.39 1r4y h GLY 31 N 5.47 -1.95 0.40 3.99 0.00 -1.42 -2.09 103.07 107.48 1r4y h GLY 31 Ca -0.32 1.02 -0.01 0.00 0.00 0.00 0.00 47.33 48.02 1r4y h GLY 31 CO 0.47 -0.59 -0.44 0.23 0.00 0.00 0.00 176.54 176.21 1r4y h SER 32 N -0.00 -1.21 0.00 0.19 0.87 -1.66 -3.38 113.55 108.36 1r4y h SER 32 Ca 0.07 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1r4y h SER 32 Cb 0.17 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1r4y h SER 32 CO -0.39 -0.56 0.00 -1.54 -0.53 0.00 0.00 176.83 173.80 1r4y n SER 33 N -5.05 0.00 -4.81 6.23 3.41 -0.79 -5.02 113.62 107.59 1r4y n SER 33 Ca -0.10 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.18 1r4y n SER 33 Cb 0.39 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 1r4y n SER 33 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1r4y s TYR 34 N 0.00 3.29 0.66 7.33 1.51 -1.26 -3.92 117.35 124.96 1r4y s TYR 34 Ca 0.00 1.62 -0.13 0.00 -1.01 0.00 0.00 57.07 57.55 1r4y s TYR 34 Cb 0.00 -2.88 -0.01 0.00 -0.11 0.00 0.00 41.96 38.96 1r4y s TYR 34 CO 0.00 -0.19 1.06 -1.25 -1.11 0.00 0.00 175.55 174.06 1r4y s PRO 35 N -3.12 3.03 0.09 -1.71 0.04 -1.26 -4.71 135.00 127.35 1r4y s PRO 35 Ca 0.62 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1r4y s PRO 35 Cb -0.11 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1r4y s PRO 35 CO 0.15 -1.03 -0.08 -3.38 0.04 0.00 0.00 177.00 172.69 1r4y s HIS 36 N -2.80 0.92 -0.04 0.56 -3.43 -1.15 -3.04 115.29 106.31 1r4y s HIS 36 Ca 0.60 -0.71 -0.34 0.00 -0.80 0.00 0.00 55.06 53.81 1r4y s HIS 36 Cb -0.15 -0.52 -0.12 0.00 -1.43 0.00 0.00 32.58 30.36 1r4y s HIS 36 CO 0.48 -0.07 1.84 1.87 -2.00 0.00 0.00 174.74 176.87 1r4y n TRP 37 N 0.54 2.34 -3.06 0.38 -0.00 -1.26 -1.57 117.44 114.81 1r4y n TRP 37 Ca -0.16 0.01 -0.45 0.00 -0.00 0.00 0.00 57.50 56.90 1r4y n TRP 37 Cb 0.58 -2.66 -0.01 0.00 -0.00 0.00 0.00 31.31 29.22 1r4y n TRP 37 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1r4y s PHE 38 N 3.63 3.50 0.42 5.87 5.36 0.15 -4.77 117.98 132.13 1r4y s PHE 38 Ca 0.90 -1.89 0.30 0.00 -0.96 0.00 0.00 56.93 55.29 1r4y s PHE 38 Cb -0.67 -4.15 1.42 0.00 -0.34 0.00 0.00 43.02 39.27 1r4y s PHE 38 CO 0.49 -1.30 1.50 0.25 -1.46 0.00 0.00 175.22 174.69 1r4y n THR 39 N 4.60 -0.26 -1.00 0.12 -2.24 -1.26 -4.30 114.28 109.95 1r4y n THR 39 Ca 0.26 1.75 0.00 0.00 -2.27 0.00 0.00 64.05 63.79 1r4y n THR 39 Cb 0.46 -2.86 0.00 0.00 -2.10 0.00 0.00 70.33 65.82 1r4y n THR 39 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1r4y n ASN 40 N -4.68 -4.99 0.00 3.42 5.15 -1.26 -0.72 115.26 112.17 1r4y n ASN 40 Ca 0.38 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 1r4y n ASN 40 Cb 1.48 -2.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.20 1r4y n ASN 40 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1r4y n GLY 41 N -0.30 2.48 3.68 8.20 0.00 -1.26 -4.19 105.19 113.79 1r4y n GLY 41 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1r4y n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r4y s TYR 42 N -2.30 1.92 -0.03 1.61 1.51 0.10 -4.54 117.35 115.61 1r4y s TYR 42 Ca 0.00 1.61 -0.16 0.00 -1.01 0.00 0.00 57.07 57.51 1r4y s TYR 42 Cb 0.00 -3.22 -0.32 0.00 -0.11 0.00 0.00 41.96 38.31 1r4y s TYR 42 CO 0.00 -2.61 0.81 -0.44 -1.11 0.00 0.00 175.55 172.20 1r4y h ASP 43 N -1.72 0.61 0.00 2.29 3.32 -1.76 -3.45 116.42 115.71 1r4y h ASP 43 Ca -0.46 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 55.67 1r4y h ASP 43 Cb 1.27 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1r4y h ASP 43 CO 0.46 1.63 0.00 0.61 -1.72 0.00 0.00 179.24 180.23 1r4y n GLY 44 N 1.74 -1.92 0.83 2.75 0.00 -1.26 -5.04 105.19 102.28 1r4y n GLY 44 Ca -0.20 0.61 -0.01 0.00 0.00 0.00 0.00 46.02 46.42 1r4y n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r4y n ASP 45 N -2.18 0.88 -4.56 1.61 8.00 -1.26 -2.86 116.55 116.18 1r4y n ASP 45 Ca 0.00 0.12 -0.31 0.00 0.71 0.00 0.00 54.79 55.31 1r4y n ASP 45 Cb 0.00 -0.32 0.18 0.00 -0.02 0.00 0.00 41.12 40.96 1r4y n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r4y n GLY 46 N 3.07 -1.15 3.30 0.44 0.00 -1.26 -3.82 105.19 105.77 1r4y n GLY 46 Ca -0.02 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 1r4y n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 47 N -3.82 -2.89 -1.27 1.61 5.02 -1.26 -4.11 118.16 111.44 1r4y n LYS 47 Ca 0.08 -0.84 -0.35 0.00 -2.02 0.00 0.00 58.31 55.19 1r4y n LYS 47 Cb 0.53 -1.89 0.10 0.00 -0.02 0.00 0.00 35.03 33.75 1r4y n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1r4y n LEU 48 N -3.88 3.81 -4.78 -0.35 4.32 -1.26 -4.34 117.00 110.52 1r4y n LEU 48 Ca 0.05 0.64 -0.31 0.00 -0.02 0.00 0.00 56.01 56.36 1r4y n LEU 48 Cb 0.55 -1.44 0.08 0.00 -1.62 0.00 0.00 43.42 40.99 1r4y n LEU 48 CO 0.48 -1.93 0.71 -2.16 -1.22 0.00 0.00 177.39 173.27 1r4y s PRO 49 N -3.61 2.47 -0.64 3.23 0.04 -1.26 -4.87 135.00 130.36 1r4y s PRO 49 Ca 0.73 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 1r4y s PRO 49 Cb -0.32 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 1r4y s PRO 49 CO 0.51 -1.48 2.45 1.17 0.04 0.00 0.00 177.00 179.68 1r4y n LYS 50 N -3.26 0.76 0.00 4.56 4.81 -1.26 -3.22 118.16 120.55 1r4y n LYS 50 Ca 0.09 -0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1r4y n LYS 50 Cb 0.53 -3.14 0.00 0.00 0.02 0.00 0.00 35.03 32.44 1r4y n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r4y n GLY 51 N 6.21 0.43 3.55 3.14 0.00 -1.26 -5.17 105.19 112.08 1r4y n GLY 51 Ca 0.44 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1r4y n GLY 51 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1r4y s ARG 52 N -0.22 1.12 -0.18 1.61 3.52 -1.20 -5.15 118.95 118.45 1r4y s ARG 52 Ca 0.00 -0.48 -0.05 0.00 -0.13 0.00 0.00 55.73 55.07 1r4y s ARG 52 Cb 0.00 0.47 0.06 0.00 -1.56 0.00 0.00 34.95 33.93 1r4y s ARG 52 CO 0.00 -0.50 0.08 0.99 -0.81 0.00 0.00 175.30 175.06 1r4y s THR 53 N -3.43 0.02 1.11 4.11 2.01 -1.26 -4.99 115.64 113.22 1r4y s THR 53 Ca 0.05 -0.27 -0.18 0.00 0.31 0.00 0.00 61.69 61.61 1r4y s THR 53 Cb -0.02 -0.68 0.25 0.00 0.01 0.00 0.00 72.50 72.07 1r4y s THR 53 CO -0.07 -0.30 1.17 -2.16 -0.69 0.00 0.00 174.62 172.57 1r4y s PRO 54 N 2.09 -0.54 -0.21 4.92 0.04 -1.26 -4.94 135.00 135.10 1r4y s PRO 54 Ca 0.02 -0.12 -0.15 0.00 0.04 0.00 0.00 61.00 60.78 1r4y s PRO 54 Cb -0.16 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1r4y s PRO 54 CO -0.11 -3.25 0.38 0.42 0.04 0.00 0.00 177.00 174.49 1r4y s ILE 55 N -3.26 5.21 0.14 0.56 1.01 -1.26 -5.06 121.20 118.54 1r4y s ILE 55 Ca 0.71 0.66 -0.29 0.00 0.00 0.00 0.00 60.65 61.73 1r4y s ILE 55 Cb -0.09 -3.71 -0.07 0.00 0.01 0.00 0.00 42.46 38.61 1r4y s ILE 55 CO 0.55 0.24 0.91 -0.75 0.00 0.00 0.00 174.94 175.89 1r4y s LYS 56 N 1.40 4.70 -0.01 2.79 2.36 -1.26 -4.91 119.74 124.80 1r4y s LYS 56 Ca 0.18 1.38 0.01 0.00 -2.55 0.00 0.00 55.97 54.98 1r4y s LYS 56 Cb -0.15 -3.34 -0.01 0.00 -1.05 0.00 0.00 37.83 33.28 1r4y s LYS 56 CO 0.08 0.33 0.01 1.19 1.55 0.00 0.00 175.35 178.51 1r4y n PHE 57 N 2.36 0.00 0.00 4.03 3.72 -1.26 -4.88 117.46 121.43 1r4y n PHE 57 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1r4y n PHE 57 Cb 0.49 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1r4y n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r4y n GLY 58 N 2.86 0.35 3.70 1.37 0.00 -1.26 -5.06 105.19 107.14 1r4y n GLY 58 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1r4y n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4y s LYS 59 N -0.97 4.18 0.10 1.61 -0.14 -1.26 -4.96 119.74 118.29 1r4y s LYS 59 Ca 0.00 -0.07 0.14 0.00 -1.36 0.00 0.00 55.97 54.68 1r4y s LYS 59 Cb 0.00 -3.48 0.63 0.00 -1.68 0.00 0.00 37.83 33.30 1r4y s LYS 59 CO 0.00 0.16 1.44 0.43 -0.76 0.00 0.00 175.35 176.61 1r4y n SER 60 N 3.92 0.23 -0.04 2.83 7.64 -1.26 -1.19 113.62 125.75 1r4y n SER 60 Ca -0.13 0.57 -0.20 0.00 1.01 0.00 0.00 58.87 60.12 1r4y n SER 60 Cb 0.52 -0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 62.97 1r4y n SER 60 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1r4y h ASP 61 N 0.00 0.20 1.09 6.43 5.19 -1.93 -2.38 116.42 125.01 1r4y h ASP 61 Ca 0.00 -0.80 0.00 0.00 -0.62 0.00 0.00 57.03 55.61 1r4y h ASP 61 Cb 0.19 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1r4y h ASP 61 CO 0.00 1.42 0.00 0.00 -3.12 0.00 0.00 179.24 177.54 1r4y n ASP 63 N -2.56 1.47 -4.40 0.00 2.03 -0.34 -4.95 116.55 107.81 1r4y n ASP 63 Ca 0.03 0.33 -0.32 0.00 0.52 0.00 0.00 54.79 55.34 1r4y n ASP 63 Cb 0.32 -0.45 0.15 0.00 -0.72 0.00 0.00 41.12 40.41 1r4y n ASP 63 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1r4y n ARG 64 N -3.25 -0.77 -2.30 -0.67 1.85 -0.90 -4.92 116.66 105.70 1r4y n ARG 64 Ca -0.24 -0.19 -0.42 0.00 -1.00 0.00 0.00 57.85 56.00 1r4y n ARG 64 Cb 1.05 -1.86 -0.03 0.00 -1.05 0.00 0.00 32.46 30.57 1r4y n ARG 64 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1r4y s PRO 65 N -3.69 4.37 0.98 2.89 0.04 -1.26 -4.98 135.00 133.35 1r4y s PRO 65 Ca 0.58 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 63.41 1r4y s PRO 65 Cb -0.19 -3.33 0.18 0.00 0.04 0.00 0.00 34.50 31.20 1r4y s PRO 65 CO 0.66 -0.37 1.09 -1.25 0.04 0.00 0.00 177.00 177.17 1r4y s PRO 66 N 1.23 0.57 -0.54 0.56 0.04 -1.25 -4.84 135.00 130.77 1r4y s PRO 66 Ca 0.62 0.69 0.07 0.00 0.04 0.00 0.00 61.00 62.42 1r4y s PRO 66 Cb -0.33 -1.74 0.29 0.00 0.04 0.00 0.00 34.50 32.76 1r4y s PRO 66 CO 0.29 -2.68 0.75 1.17 0.04 0.00 0.00 177.00 176.57 1r4y n LYS 67 N -4.17 2.14 -1.75 4.56 3.00 -1.26 -4.28 118.16 116.40 1r4y n LYS 67 Ca 0.06 -4.26 -0.29 0.00 -0.00 0.00 0.00 58.31 53.82 1r4y n LYS 67 Cb 0.56 -1.97 0.09 0.00 0.00 0.00 0.00 35.03 33.72 1r4y n LYS 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1r4y s HIS 68 N -2.46 2.89 0.26 5.64 5.65 -1.14 -4.11 115.29 122.03 1r4y s HIS 68 Ca 0.41 0.90 0.01 0.00 0.25 0.00 0.00 55.06 56.63 1r4y s HIS 68 Cb 0.21 -3.33 -0.03 0.00 -1.18 0.00 0.00 32.58 28.26 1r4y s HIS 68 CO -0.07 -1.81 0.23 -1.54 -0.65 0.00 0.00 174.74 170.90 1r4y s SER 69 N -4.29 0.71 -1.35 9.88 1.04 -1.18 -4.73 113.70 113.78 1r4y s SER 69 Ca 0.61 -1.49 -0.12 0.00 0.48 0.00 0.00 55.95 55.43 1r4y s SER 69 Cb -0.13 0.48 0.11 0.00 0.10 0.00 0.00 66.02 66.58 1r4y s SER 69 CO 0.51 -0.97 1.96 0.29 0.98 0.00 0.00 173.24 176.02 1r4y n LYS 70 N -0.42 3.25 0.00 4.02 5.02 -1.26 -3.72 118.16 125.05 1r4y n LYS 70 Ca 0.04 -3.16 0.00 0.00 -2.02 0.00 0.00 58.31 53.16 1r4y n LYS 70 Cb 0.64 -3.14 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 1r4y n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r4y n ASP 71 N 5.36 0.00 0.00 4.39 8.00 -1.26 -5.08 116.55 127.96 1r4y n ASP 71 Ca 0.45 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1r4y n ASP 71 Cb 0.39 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r4y n GLY 72 N -0.77 -1.37 0.00 0.44 0.00 -1.24 -4.87 105.19 97.37 1r4y n GLY 72 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1r4y n GLY 72 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r4y n ASN 73 N 0.00 0.00 0.00 1.61 6.94 -1.26 -4.04 115.26 118.51 1r4y n ASN 73 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1r4y n ASN 73 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1r4y n ASN 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r4y n GLY 74 N 3.83 0.61 0.00 4.83 0.00 -1.26 -3.09 105.19 110.11 1r4y n GLY 74 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1r4y n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 75 N 0.00 0.00 -0.09 1.61 5.02 -1.26 -4.12 118.16 119.32 1r4y n LYS 75 Ca 0.00 0.35 0.05 0.00 -2.02 0.00 0.00 58.31 56.69 1r4y n LYS 75 Cb 0.00 -0.93 0.09 0.00 -0.02 0.00 0.00 35.03 34.18 1r4y n LYS 75 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1r4y n THR 76 N -0.77 1.45 0.00 -0.18 5.66 -1.26 -5.05 114.28 114.12 1r4y n THR 76 Ca 0.00 -1.54 0.00 0.00 -3.05 0.00 0.00 64.05 59.46 1r4y n THR 76 Cb 0.00 0.16 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 1r4y n THR 76 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1r4y n ASP 77 N -0.71 0.00 -1.31 1.09 5.75 -1.26 -4.70 116.55 115.41 1r4y n ASP 77 Ca 0.09 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.92 1r4y n ASP 77 Cb 0.47 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.80 1r4y n ASP 77 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r4y n HIS 78 N 0.00 1.21 -0.43 2.11 1.44 -1.26 -4.58 115.22 113.72 1r4y n HIS 78 Ca 0.00 -0.43 -0.21 0.00 -2.01 0.00 0.00 57.72 55.07 1r4y n HIS 78 Cb 0.00 -0.33 0.19 0.00 0.12 0.00 0.00 29.99 29.97 1r4y n HIS 78 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1r4y n TYR 79 N 0.40 -2.80 -3.96 -1.40 4.11 -1.26 -3.56 117.16 108.69 1r4y n TYR 79 Ca 0.17 -0.26 -0.27 0.00 -0.00 0.00 0.00 57.90 57.54 1r4y n TYR 79 Cb 0.79 -1.37 -0.03 0.00 -0.00 0.00 0.00 39.34 38.73 1r4y n TYR 79 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1r4y s LEU 80 N -2.36 4.28 -0.05 -3.48 1.43 -1.26 -0.69 118.68 116.55 1r4y s LEU 80 Ca 0.45 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1r4y s LEU 80 Cb -0.08 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.31 1r4y s LEU 80 CO 0.39 0.07 0.11 -0.76 0.23 0.00 0.00 176.35 176.39 1r4y s LEU 81 N -3.13 0.51 0.28 1.79 1.02 -0.11 0.30 118.68 119.34 1r4y s LEU 81 Ca 0.34 0.21 -0.05 0.00 0.02 0.00 0.00 54.13 54.65 1r4y s LEU 81 Cb -0.11 0.15 -0.05 0.00 0.02 0.00 0.00 46.19 46.19 1r4y s LEU 81 CO 0.28 -0.18 0.55 -1.83 0.02 0.00 0.00 176.35 175.18 1r4y s GLU 82 N 1.59 3.64 -0.06 1.70 1.03 -0.61 -2.73 118.70 123.27 1r4y s GLU 82 Ca -0.04 0.01 -0.04 0.00 0.03 0.00 0.00 54.97 54.94 1r4y s GLU 82 Cb -0.12 -2.66 0.03 0.00 -0.80 0.00 0.00 34.13 30.58 1r4y s GLU 82 CO -0.05 0.23 0.14 0.12 -1.33 0.00 0.00 175.26 174.37 1r4y s PHE 83 N -2.05 -0.16 -0.66 4.83 5.36 -0.48 -2.94 117.98 121.87 1r4y s PHE 83 Ca 0.44 0.43 -0.27 0.00 -0.96 0.00 0.00 56.93 56.57 1r4y s PHE 83 Cb -0.11 -0.01 -0.00 0.00 -0.34 0.00 0.00 43.02 42.56 1r4y s PHE 83 CO 0.29 -0.12 1.66 -1.25 -1.46 0.00 0.00 175.22 174.35 1r4y s PRO 84 N 0.61 2.82 -0.45 10.12 0.04 -1.26 -0.71 135.00 146.17 1r4y s PRO 84 Ca -0.04 0.29 -0.18 0.00 0.04 0.00 0.00 61.00 61.10 1r4y s PRO 84 Cb -0.06 -4.34 0.04 0.00 0.04 0.00 0.00 34.50 30.18 1r4y s PRO 84 CO -0.03 -2.55 0.51 -0.08 0.04 0.00 0.00 177.00 174.89 1r4y s THR 85 N 7.94 5.02 0.38 1.26 -1.32 -1.23 -4.79 115.64 122.90 1r4y s THR 85 Ca 0.56 -0.43 -0.17 0.00 -1.21 0.00 0.00 61.69 60.44 1r4y s THR 85 Cb -0.11 -4.14 -0.09 0.00 -1.51 0.00 0.00 72.50 66.65 1r4y s THR 85 CO 0.18 -0.57 0.83 -0.36 -2.21 0.00 0.00 174.62 172.49 1r4y s PHE 86 N 2.28 3.37 0.12 9.09 0.40 -1.26 -4.84 117.98 127.14 1r4y s PHE 86 Ca 0.13 1.36 -0.06 0.00 -0.60 0.00 0.00 56.93 57.76 1r4y s PHE 86 Cb -0.18 -2.66 -0.11 0.00 0.51 0.00 0.00 43.02 40.58 1r4y s PHE 86 CO 0.13 -0.03 1.29 -1.00 0.70 0.00 0.00 175.22 176.30 1r4y h PRO 87 N 1.93 0.47 -1.48 0.24 0.13 -1.93 -3.23 132.00 128.13 1r4y h PRO 87 Ca -0.48 -0.50 0.47 0.00 -0.87 0.00 0.00 66.00 64.63 1r4y h PRO 87 Cb 1.18 0.14 -0.12 0.00 0.13 0.00 0.00 31.00 32.33 1r4y h PRO 87 CO 0.63 1.14 0.99 -0.44 -0.23 0.00 0.00 178.00 180.10 1r4y h ASP 88 N 0.27 0.17 0.00 1.44 3.32 -1.94 -3.44 116.42 116.23 1r4y h ASP 88 Ca -0.08 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1r4y h ASP 88 Cb 1.58 0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.23 1r4y h ASP 88 CO 0.17 -0.15 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1r4y n GLY 89 N -1.62 0.42 3.75 2.75 0.00 -1.22 -5.05 105.19 104.22 1r4y n GLY 89 Ca 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 1r4y n GLY 89 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1r4y s HIS 90 N -2.15 3.39 -0.57 1.61 -3.43 -1.26 -4.96 115.29 107.92 1r4y s HIS 90 Ca 0.00 1.45 -0.28 0.00 -0.80 0.00 0.00 55.06 55.43 1r4y s HIS 90 Cb 0.00 -3.46 0.01 0.00 -1.43 0.00 0.00 32.58 27.70 1r4y s HIS 90 CO 0.00 -1.25 1.48 0.34 -2.00 0.00 0.00 174.74 173.31 1r4y s ASP 91 N -0.12 6.01 0.32 7.38 2.15 -1.26 -4.64 116.67 126.51 1r4y s ASP 91 Ca 0.51 0.27 -0.20 0.00 0.43 0.00 0.00 52.55 53.56 1r4y s ASP 91 Cb -0.34 -2.54 -0.14 0.00 -0.30 0.00 0.00 42.92 39.60 1r4y s ASP 91 CO 0.40 -1.81 0.15 0.00 -0.17 0.00 0.00 175.17 173.75 1r4y n TYR 92 N 9.99 -1.59 -1.36 -5.34 9.36 -1.26 -4.79 117.16 122.17 1r4y n TYR 92 Ca 0.13 0.62 -0.39 0.00 3.32 0.00 0.00 57.90 61.58 1r4y n TYR 92 Cb 0.49 -1.62 -0.03 0.00 -0.63 0.00 0.00 39.34 37.56 1r4y n TYR 92 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1r4y n LYS 93 N 1.13 3.58 0.00 2.98 2.85 -1.26 -4.57 118.16 122.87 1r4y n LYS 93 Ca 0.11 -2.24 0.10 0.00 -1.05 0.00 0.00 58.31 55.23 1r4y n LYS 93 Cb 0.33 -2.86 0.60 0.00 -0.65 0.00 0.00 35.03 32.45 1r4y n LYS 93 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1r4y n PHE 94 N 3.92 0.00 -0.11 5.58 1.16 -1.26 -3.39 117.46 123.36 1r4y n PHE 94 Ca 0.75 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 56.13 1r4y n PHE 94 Cb 0.25 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.00 1r4y n PHE 94 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1r4y n ASP 95 N -0.91 2.00 -4.56 5.98 -0.08 -1.26 -1.92 116.55 115.81 1r4y n ASP 95 Ca 0.15 -0.02 -0.43 0.00 -1.51 0.00 0.00 54.79 52.98 1r4y n ASP 95 Cb 0.07 -0.54 -0.05 0.00 2.34 0.00 0.00 41.12 42.94 1r4y n ASP 95 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1r4y s SER 96 N -6.71 6.46 0.13 1.67 0.01 -1.22 -3.50 113.70 110.54 1r4y s SER 96 Ca -0.33 0.03 -0.20 0.00 1.31 0.00 0.00 55.95 56.77 1r4y s SER 96 Cb 0.09 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 1r4y s SER 96 CO 0.62 -0.94 1.73 0.07 0.41 0.00 0.00 173.24 175.13 1r4y h LYS 97 N 8.95 0.10 -3.37 12.44 2.10 -1.84 -3.36 116.57 131.58 1r4y h LYS 97 Ca -0.24 -0.01 -0.28 0.00 -2.00 0.00 0.00 60.65 58.12 1r4y h LYS 97 Cb 1.08 -0.02 -0.34 0.00 -0.90 0.00 0.00 32.23 32.05 1r4y h LYS 97 CO 0.98 0.07 -0.67 0.15 -2.00 0.00 0.00 179.45 177.97 1r4y s LYS 98 N -6.19 0.01 1.07 0.07 1.02 -1.26 -3.98 119.74 110.49 1r4y s LYS 98 Ca -0.13 0.30 -0.15 0.00 0.02 0.00 0.00 55.97 56.00 1r4y s LYS 98 Cb 0.09 -0.25 0.22 0.00 -0.52 0.00 0.00 37.83 37.38 1r4y s LYS 98 CO 0.69 -0.19 1.12 -1.25 -0.92 0.00 0.00 175.35 174.80 1r4y s PRO 99 N 1.29 -0.13 -0.02 -1.68 0.04 -1.26 -5.19 135.00 128.05 1r4y s PRO 99 Ca -0.07 0.17 -0.03 0.00 0.04 0.00 0.00 61.00 61.12 1r4y s PRO 99 Cb -0.12 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1r4y s PRO 99 CO -0.04 -3.03 0.06 0.21 0.04 0.00 0.00 177.00 174.24 1r4y s LYS 100 N -5.25 0.16 0.90 4.56 2.20 -1.26 -4.76 119.74 116.29 1r4y s LYS 100 Ca 0.68 -0.05 -0.14 0.00 -0.36 0.00 0.00 55.97 56.10 1r4y s LYS 100 Cb -0.14 0.07 0.16 0.00 -1.51 0.00 0.00 37.83 36.41 1r4y s LYS 100 CO 0.56 -0.03 1.26 -2.00 -0.36 0.00 0.00 175.35 174.78 1r4y s GLU 101 N -0.31 1.10 0.29 4.03 2.12 -1.26 -5.04 118.70 119.62 1r4y s GLU 101 Ca -0.04 -0.30 -0.29 0.00 0.36 0.00 0.00 54.97 54.70 1r4y s GLU 101 Cb -0.03 -1.91 -0.10 0.00 0.26 0.00 0.00 34.13 32.36 1r4y s GLU 101 CO 0.00 -2.11 1.12 1.21 -0.54 0.00 0.00 175.26 174.94 1r4y s ASN 102 N -4.79 7.18 0.31 -1.70 3.84 -1.26 -5.03 114.94 113.49 1r4y s ASN 102 Ca 0.70 2.30 0.00 0.00 0.21 0.00 0.00 52.86 56.07 1r4y s ASN 102 Cb -0.06 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 1r4y s ASN 102 CO 0.51 -0.21 0.00 -0.81 -2.79 0.00 0.00 177.10 173.81 1r4y n PRO 103 N 1.07 0.38 -3.98 0.43 -0.04 -1.26 -5.06 135.00 126.54 1r4y n PRO 103 Ca -0.01 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.36 1r4y n PRO 103 Cb 0.45 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.83 1r4y n PRO 103 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1r4y s GLY 104 N -1.47 0.47 -0.07 0.55 0.00 -1.26 -5.08 107.32 100.45 1r4y s GLY 104 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 44.72 43.64 1r4y s GLY 104 CO 0.00 -0.97 0.50 -0.56 0.00 0.00 0.00 173.10 172.08 1r4y h PRO 105 N 2.71 -0.23 -6.79 2.90 0.13 -1.95 -3.45 132.00 125.32 1r4y h PRO 105 Ca -0.33 0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.29 1r4y h PRO 105 Cb 1.21 0.05 0.07 0.00 0.13 0.00 0.00 31.00 32.46 1r4y h PRO 105 CO 0.54 0.02 0.79 0.00 -0.23 0.00 0.00 178.00 179.12 1r4y s ALA 106 N -3.29 3.65 -0.01 -0.56 0.00 -1.26 -4.73 121.76 115.57 1r4y s ALA 106 Ca -0.08 1.42 -0.02 0.00 0.00 0.00 0.00 51.96 53.28 1r4y s ALA 106 Cb 0.00 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 1r4y s ALA 106 CO 0.26 -0.83 0.05 1.03 0.00 0.00 0.00 175.76 176.27 1r4y s ARG 107 N -0.62 0.19 -0.25 0.00 0.52 -1.19 -3.54 118.95 114.05 1r4y s ARG 107 Ca 0.59 -0.16 -0.27 0.00 -0.52 0.00 0.00 55.73 55.37 1r4y s ARG 107 Cb -0.44 0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.12 1r4y s ARG 107 CO 0.47 -0.03 0.96 0.54 0.02 0.00 0.00 175.30 177.26 1r4y s VAL 108 N -0.55 4.71 -0.22 3.52 0.11 0.11 -2.32 120.40 125.76 1r4y s VAL 108 Ca -0.06 1.78 -0.07 0.00 -2.93 0.00 0.00 61.98 60.70 1r4y s VAL 108 Cb -0.04 -4.26 -0.03 0.00 -1.53 0.00 0.00 36.38 30.52 1r4y s VAL 108 CO 0.00 -0.20 0.06 -0.63 -3.33 0.00 0.00 175.10 171.00 1r4y s ILE 109 N 3.15 4.47 0.10 7.04 1.09 -0.50 -1.39 121.20 135.15 1r4y s ILE 109 Ca 0.41 -0.13 -0.02 0.00 -1.10 0.00 0.00 60.65 59.80 1r4y s ILE 109 Cb -0.15 -3.05 -0.03 0.00 -1.06 0.00 0.00 42.46 38.17 1r4y s ILE 109 CO 0.08 0.39 0.05 -0.72 -0.10 0.00 0.00 174.94 174.65 1r4y s TYR 110 N 1.06 0.62 0.42 3.97 -0.85 -1.10 -0.01 117.35 121.46 1r4y s TYR 110 Ca 0.04 -1.07 0.02 0.00 -0.52 0.00 0.00 57.07 55.55 1r4y s TYR 110 Cb -0.14 -0.37 -0.00 0.00 0.38 0.00 0.00 41.96 41.83 1r4y s TYR 110 CO 0.03 -0.48 0.62 0.95 -1.52 0.00 0.00 175.55 175.14 1r4y s THR 111 N -3.97 3.92 0.15 -3.49 -4.23 -1.21 -0.93 115.64 105.87 1r4y s THR 111 Ca 0.15 -0.66 0.06 0.00 -1.18 0.00 0.00 61.69 60.06 1r4y s THR 111 Cb 0.07 -3.42 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 1r4y s THR 111 CO -0.04 -0.25 0.03 -0.47 -0.54 0.00 0.00 174.62 173.35 1r4y s TYR 112 N -2.45 2.96 -0.07 3.99 6.14 0.14 -3.35 117.35 124.71 1r4y s TYR 112 Ca 0.48 -0.08 -0.20 0.00 0.64 0.00 0.00 57.07 57.91 1r4y s TYR 112 Cb -0.10 -1.46 -0.16 0.00 0.42 0.00 0.00 41.96 40.67 1r4y s TYR 112 CO 0.36 0.51 0.78 -1.00 0.64 0.00 0.00 175.55 176.84 1r4y h PRO 113 N 2.83 -0.16 -6.01 4.97 0.13 -1.85 -3.39 132.00 128.52 1r4y h PRO 113 Ca -0.47 0.01 -0.77 0.00 -0.87 0.00 0.00 66.00 63.90 1r4y h PRO 113 Cb 1.19 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1r4y h PRO 113 CO 0.60 0.31 1.19 0.09 -0.23 0.00 0.00 178.00 179.96 1r4y n ASN 114 N -4.87 1.21 -3.70 1.44 3.02 -1.26 -4.72 115.26 106.38 1r4y n ASN 114 Ca -0.07 0.75 -0.41 0.00 -0.03 0.00 0.00 54.58 54.82 1r4y n ASN 114 Cb 0.27 -0.98 -0.09 0.00 -0.61 0.00 0.00 39.78 38.37 1r4y n ASN 114 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1r4y n LYS 115 N 6.84 0.72 -1.91 3.52 5.02 -1.21 -4.25 118.16 126.89 1r4y n LYS 115 Ca 0.46 -1.49 -0.38 0.00 -2.02 0.00 0.00 58.31 54.87 1r4y n LYS 115 Cb 0.02 -2.86 -0.03 0.00 -0.02 0.00 0.00 35.03 32.14 1r4y n LYS 115 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r4y n VAL 116 N 6.81 2.72 -1.72 -0.18 0.31 -1.24 -4.79 118.33 120.24 1r4y n VAL 116 Ca 0.47 -2.64 -0.66 0.00 -0.01 0.00 0.00 64.34 61.50 1r4y n VAL 116 Cb 0.42 -2.34 -0.10 0.00 -0.91 0.00 0.00 33.84 30.92 1r4y n VAL 116 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1r4y n PHE 117 N 9.56 1.76 -0.10 3.52 7.35 -1.26 -3.34 117.46 134.96 1r4y n PHE 117 Ca 0.48 1.05 -0.23 0.00 -0.76 0.00 0.00 57.45 57.99 1r4y n PHE 117 Cb 0.43 -2.26 -0.12 0.00 0.35 0.00 0.00 39.48 37.88 1r4y n PHE 117 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1r4y n GLY 119 N 1.69 -0.12 3.62 0.00 0.00 -1.20 -4.91 105.19 104.27 1r4y n GLY 119 Ca -0.42 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 1r4y n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r4y s ILE 120 N -1.91 5.15 0.19 -0.61 1.09 -1.26 -1.42 121.20 122.44 1r4y s ILE 120 Ca 0.00 0.11 -0.01 0.00 -1.10 0.00 0.00 60.65 59.65 1r4y s ILE 120 Cb 0.00 -3.40 -0.04 0.00 -1.06 0.00 0.00 42.46 37.96 1r4y s ILE 120 CO 0.00 0.35 0.37 0.27 -0.10 0.00 0.00 174.94 175.83 1r4y s ILE 121 N 1.13 5.22 -0.18 2.92 -4.36 -0.98 0.92 121.20 125.86 1r4y s ILE 121 Ca 0.07 -0.38 -0.32 0.00 -0.26 0.00 0.00 60.65 59.76 1r4y s ILE 121 Cb -0.14 -3.73 0.14 0.00 1.25 0.00 0.00 42.46 39.99 1r4y s ILE 121 CO 0.05 -0.15 1.16 0.00 0.24 0.00 0.00 174.94 176.24 1r4y s ALA 122 N -1.84 -2.03 -0.84 2.27 0.00 -0.09 -3.15 121.76 116.09 1r4y s ALA 122 Ca 0.38 1.59 -0.19 0.00 0.00 0.00 0.00 51.96 53.74 1r4y s ALA 122 Cb -0.11 -0.43 0.12 0.00 0.00 0.00 0.00 23.12 22.70 1r4y s ALA 122 CO 0.29 -0.48 1.04 -1.01 0.00 0.00 0.00 175.76 175.60 1r4y s HIS 123 N -1.99 3.04 -0.53 0.00 3.76 -1.26 -2.50 115.29 115.81 1r4y s HIS 123 Ca 0.07 -1.20 -0.01 0.00 -0.15 0.00 0.00 55.06 53.77 1r4y s HIS 123 Cb -0.01 -4.25 0.41 0.00 1.11 0.00 0.00 32.58 29.85 1r4y s HIS 123 CO -0.05 -1.49 1.99 -2.37 -0.85 0.00 0.00 174.74 171.97 1r4y n THR 124 N 5.54 3.29 -0.09 1.30 5.66 -1.26 -4.17 114.28 124.54 1r4y n THR 124 Ca 0.15 -2.38 -0.09 0.00 -3.05 0.00 0.00 64.05 58.67 1r4y n THR 124 Cb 0.48 -1.09 -0.15 0.00 -1.55 0.00 0.00 70.33 68.02 1r4y n THR 124 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1r4y n LYS 125 N -0.61 0.96 0.02 1.09 3.00 -1.26 -5.02 118.16 116.34 1r4y n LYS 125 Ca 0.53 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 1r4y n LYS 125 Cb 0.79 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 34.35 1r4y n LYS 125 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1r4y n GLU 126 N -2.70 0.00 0.00 1.64 0.00 -1.26 -5.03 120.64 113.29 1r4y n GLU 126 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.85 1r4y n GLU 126 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.54 1r4y n GLU 126 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1r4y n ASN 127 N -2.14 0.00 -2.92 4.31 5.15 -1.26 -5.03 115.26 113.37 1r4y n ASN 127 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 1r4y n ASN 127 Cb 0.00 0.17 -0.02 0.00 -0.53 0.00 0.00 39.78 39.40 1r4y n ASN 127 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1r4y n GLN 128 N -1.95 0.46 0.00 1.20 7.27 -1.26 -4.82 117.38 118.27 1r4y n GLN 128 Ca 0.00 -2.33 0.00 0.00 0.07 0.00 0.00 57.00 54.74 1r4y n GLN 128 Cb 0.00 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.13 1r4y n GLN 128 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1r4y n GLY 129 N 2.87 2.12 3.85 1.69 0.00 -1.26 -5.12 105.19 109.34 1r4y n GLY 129 Ca 0.21 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1r4y n GLY 129 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r4y s GLU 130 N 1.65 4.00 0.00 1.61 2.02 -1.26 -4.99 118.70 121.73 1r4y s GLU 130 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 54.97 55.68 1r4y s GLU 130 Cb 0.00 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 1r4y s GLU 130 CO 0.00 0.12 0.06 -1.17 0.02 0.00 0.00 175.26 174.29 1r4y s LEU 131 N -3.08 3.80 0.23 1.80 0.20 -1.26 -4.08 118.68 116.29 1r4y s LEU 131 Ca 0.55 0.10 -0.13 0.00 0.69 0.00 0.00 54.13 55.33 1r4y s LEU 131 Cb -0.10 -2.23 0.00 0.00 -0.43 0.00 0.00 46.19 43.43 1r4y s LEU 131 CO 0.18 0.27 0.47 -1.59 -0.29 0.00 0.00 176.35 175.39 1r4y s LYS 132 N -1.75 1.48 0.38 1.98 -2.85 -1.04 -4.98 119.74 112.96 1r4y s LYS 132 Ca 0.23 -1.17 -0.19 0.00 -1.00 0.00 0.00 55.97 53.84 1r4y s LYS 132 Cb -0.12 0.47 -0.10 0.00 -2.06 0.00 0.00 37.83 36.02 1r4y s LYS 132 CO 0.14 -0.61 0.86 -1.17 0.10 0.00 0.00 175.35 174.67 1r4y s LEU 133 N -2.99 4.00 0.00 2.77 2.96 -1.26 -0.92 118.68 123.25 1r4y s LEU 133 Ca 0.19 1.53 -0.14 0.00 -0.22 0.00 0.00 54.13 55.50 1r4y s LEU 133 Cb -0.00 -4.34 0.21 0.00 0.50 0.00 0.00 46.19 42.55 1r4y s LEU 133 CO 0.06 -0.29 0.55 0.00 -1.32 0.00 0.00 176.35 175.34 1r4y s SER 135 N -2.82 -0.44 0.00 0.00 0.15 -1.14 -4.90 113.70 104.54 1r4y s SER 135 Ca 0.40 0.63 0.26 0.00 0.70 0.00 0.00 55.95 57.94 1r4y s SER 135 Cb -0.06 1.45 0.67 0.00 -1.71 0.00 0.00 66.02 66.38 1r4y s SER 135 CO 0.32 -0.09 1.53 0.00 1.20 0.00 0.00 173.24 176.21