#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4y s VAL 2 N 0.00 1.65 -0.25 0.00 0.11 -1.26 -5.07 120.40 115.57 1r4y s VAL 2 Ca 0.00 -0.71 -0.23 0.00 -2.93 0.00 0.00 61.98 58.12 1r4y s VAL 2 Cb 0.00 -1.51 -0.01 0.00 -1.53 0.00 0.00 36.38 33.33 1r4y s VAL 2 CO 0.00 0.47 0.75 -0.89 -3.33 0.00 0.00 175.10 172.10 1r4y s THR 3 N 1.19 4.89 0.23 5.04 2.01 -1.26 -3.24 115.64 124.50 1r4y s THR 3 Ca -0.01 1.37 -0.30 0.00 0.31 0.00 0.00 61.69 63.06 1r4y s THR 3 Cb -0.14 -4.05 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 1r4y s THR 3 CO -0.06 -0.05 0.94 0.26 -0.69 0.00 0.00 174.62 175.02 1r4y s TRP 4 N 2.73 3.98 -0.03 4.92 0.52 -0.01 -4.30 118.94 126.75 1r4y s TRP 4 Ca 0.31 1.91 0.02 0.00 0.02 0.00 0.00 56.10 58.36 1r4y s TRP 4 Cb -0.15 -2.99 0.01 0.00 -1.15 0.00 0.00 33.47 29.19 1r4y s TRP 4 CO 0.08 0.44 -0.07 0.99 0.02 0.00 0.00 176.95 178.42 1r4y s THR 5 N -1.10 0.64 -0.31 2.01 2.01 -1.26 0.30 115.64 117.92 1r4y s THR 5 Ca 0.41 -0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.25 1r4y s THR 5 Cb -0.26 -0.61 0.45 0.00 0.01 0.00 0.00 72.50 72.09 1r4y s THR 5 CO 0.32 0.23 1.17 0.00 -0.69 0.00 0.00 174.62 175.65 1r4y n GLY 7 N -0.67 0.02 0.00 0.00 0.00 -1.26 -4.78 105.19 98.51 1r4y n GLY 7 Ca 0.42 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 0.04 3.57 -0.02 0.00 -1.26 -5.05 105.19 102.46 1r4y n GLY 8 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.28 3.11 -0.21 0.99 2.01 -1.26 -5.10 118.68 117.94 1r4y s LEU 9 Ca 0.00 -0.08 -0.03 0.00 0.01 0.00 0.00 54.13 54.03 1r4y s LEU 9 Cb 0.00 -1.71 -0.00 0.00 0.01 0.00 0.00 46.19 44.49 1r4y s LEU 9 CO 0.00 0.34 -0.07 -0.76 1.01 0.00 0.00 176.35 176.86 1r4y s LEU 10 N -0.99 2.75 -0.38 1.79 2.01 -1.26 -3.63 118.68 118.98 1r4y s LEU 10 Ca 0.14 -0.44 -0.01 0.00 0.01 0.00 0.00 54.13 53.83 1r4y s LEU 10 Cb -0.11 -1.69 0.10 0.00 0.01 0.00 0.00 46.19 44.50 1r4y s LEU 10 CO 0.03 -0.01 0.13 -0.31 1.01 0.00 0.00 176.35 177.20 1r4y s TYR 11 N 1.42 3.59 -0.00 0.29 2.02 0.15 -4.60 117.35 120.21 1r4y s TYR 11 Ca 0.05 -2.50 -0.32 0.00 -0.37 0.00 0.00 57.07 53.93 1r4y s TYR 11 Cb -0.14 -2.99 -0.11 0.00 -0.40 0.00 0.00 41.96 38.32 1r4y s TYR 11 CO -0.05 -0.94 1.91 -1.71 -1.57 0.00 0.00 175.55 173.18 1r4y n ASN 12 N 4.51 3.81 -0.30 2.29 5.15 -1.26 -0.83 115.26 128.63 1r4y n ASN 12 Ca -0.02 0.95 0.14 0.00 -0.60 0.00 0.00 54.58 55.04 1r4y n ASN 12 Cb 0.42 -1.46 0.30 0.00 -0.53 0.00 0.00 39.78 38.51 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 9.63 0.28 -0.62 1.20 5.75 -1.92 0.48 115.11 129.91 1r4y h GLN 13 Ca -0.49 -0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.12 1r4y h GLN 13 Cb 1.25 -0.06 -0.11 0.00 1.07 0.00 0.00 27.48 29.63 1r4y h GLN 13 CO 0.94 0.18 -0.09 -0.97 -2.65 0.00 0.00 178.83 176.25 1r4y h ASN 14 N 0.29 -0.45 -0.04 -0.69 -0.73 -1.88 0.65 115.58 112.72 1r4y h ASN 14 Ca 0.56 0.17 -0.10 0.00 1.87 0.00 0.00 56.30 58.81 1r4y h ASN 14 Cb 1.12 0.34 -0.01 0.00 0.27 0.00 0.00 38.32 40.03 1r4y h ASN 14 CO -0.60 -0.17 -0.26 0.11 -0.37 0.00 0.00 177.43 176.13 1r4y h LYS 15 N 0.04 0.48 -0.05 6.67 1.57 -0.49 0.56 116.57 125.36 1r4y h LYS 15 Ca 0.31 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1r4y h LYS 15 Cb 0.49 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1r4y h LYS 15 CO -0.60 0.70 -0.05 0.00 -0.57 0.00 0.00 179.45 178.93 1r4y h ALA 16 N 1.30 -0.01 0.11 3.86 0.00 0.19 0.76 119.26 125.47 1r4y h ALA 16 Ca 0.06 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.71 1r4y h ALA 16 Cb 0.68 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1r4y h ALA 16 CO 0.05 -0.53 -1.20 1.05 0.00 0.00 0.00 179.25 178.61 1r4y h GLU 17 N -0.07 0.42 0.30 0.00 4.11 -0.51 -3.08 114.58 115.75 1r4y h GLU 17 Ca 0.04 -0.61 -0.01 0.00 0.07 0.00 0.00 59.36 58.85 1r4y h GLU 17 Cb 0.13 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1r4y h GLU 17 CO -0.09 1.26 -0.14 1.03 0.07 0.00 0.00 179.01 181.14 1r4y h SER 18 N 0.17 -0.34 -1.18 3.06 0.87 0.26 0.69 113.55 117.08 1r4y h SER 18 Ca -0.15 0.01 0.44 0.00 -1.23 0.00 0.00 61.79 60.86 1r4y h SER 18 Cb 1.89 0.09 -0.16 0.00 -0.44 0.00 0.00 62.40 63.78 1r4y h SER 18 CO 0.21 -0.05 0.71 -3.20 -0.53 0.00 0.00 176.83 173.97 1r4y n ASN 19 N -4.14 0.27 0.14 6.23 4.05 0.26 0.49 115.26 122.57 1r4y n ASN 19 Ca -0.05 1.49 -0.25 0.00 0.45 0.00 0.00 54.58 56.22 1r4y n ASN 19 Cb 0.16 -0.73 -0.16 0.00 1.23 0.00 0.00 39.78 40.28 1r4y n ASN 19 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 177.26 172.93 1r4y h SER 20 N 0.00 0.82 -1.00 1.20 0.87 -1.43 -3.26 113.55 110.75 1r4y h SER 20 Ca 0.85 -0.92 0.36 0.00 -1.23 0.00 0.00 61.79 60.85 1r4y h SER 20 Cb 2.52 -0.27 -0.16 0.00 -0.44 0.00 0.00 62.40 64.05 1r4y h SER 20 CO -0.60 1.70 0.53 0.45 -0.53 0.00 0.00 176.83 178.38 1r4y h HIS 21 N 0.11 0.83 -0.02 2.24 3.86 0.56 0.38 115.15 123.12 1r4y h HIS 21 Ca -0.25 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 58.99 1r4y h HIS 21 Cb 2.14 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 30.41 1r4y h HIS 21 CO 0.13 -0.33 -0.03 0.45 0.86 0.00 0.00 177.93 179.02 1r4y h HIS 22 N 0.16 0.06 -0.78 2.45 3.86 -1.57 -3.46 115.15 115.88 1r4y h HIS 22 Ca 0.78 -0.02 -0.60 0.00 -1.16 0.00 0.00 60.37 59.37 1r4y h HIS 22 Cb 1.91 -0.01 0.05 0.00 1.06 0.00 0.00 27.41 30.41 1r4y h HIS 22 CO -0.03 0.59 -0.03 0.00 0.86 0.00 0.00 177.93 179.32 1r4y n ALA 23 N -2.39 -2.87 -2.32 2.45 0.00 0.13 -4.83 120.51 110.68 1r4y n ALA 23 Ca -0.08 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 1r4y n ALA 23 Cb 0.30 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.14 4.26 -0.57 0.00 0.04 -1.26 -4.91 135.00 132.42 1r4y s PRO 24 Ca 0.67 1.81 -0.26 0.00 0.04 0.00 0.00 61.00 63.26 1r4y s PRO 24 Cb -0.94 -3.72 -0.09 0.00 0.04 0.00 0.00 34.50 29.79 1r4y s PRO 24 CO 0.44 -0.65 2.42 -0.11 0.04 0.00 0.00 177.00 179.14 1r4y n LEU 25 N 6.16 2.16 -3.59 -3.56 7.94 -1.26 -4.63 117.00 120.21 1r4y n LEU 25 Ca 0.14 -0.71 0.02 0.00 -1.11 0.00 0.00 56.01 54.34 1r4y n LEU 25 Cb 0.44 -1.59 -0.01 0.00 0.53 0.00 0.00 43.42 42.80 1r4y n LEU 25 CO 0.57 -1.80 1.22 -0.44 -1.11 0.00 0.00 177.39 175.83 1r4y s SER 26 N 11.89 -0.00 -0.55 1.96 0.01 -1.26 -5.01 113.70 120.74 1r4y s SER 26 Ca 0.98 -0.00 -0.12 0.00 1.31 0.00 0.00 55.95 58.12 1r4y s SER 26 Cb -0.19 0.00 0.14 0.00 0.21 0.00 0.00 66.02 66.18 1r4y s SER 26 CO 0.23 -0.00 0.46 -0.62 0.41 0.00 0.00 173.24 173.72 1r4y s ASP 27 N -2.60 6.01 -0.30 2.44 2.15 -1.26 -4.23 116.67 118.87 1r4y s ASP 27 Ca 0.14 -1.99 -0.10 0.00 0.43 0.00 0.00 52.55 51.03 1r4y s ASP 27 Cb 0.04 -2.11 0.01 0.00 -0.30 0.00 0.00 42.92 40.57 1r4y s ASP 27 CO -0.05 -0.74 0.40 0.61 -0.17 0.00 0.00 175.17 175.22 1r4y n GLY 28 N 4.88 -1.09 1.07 2.66 0.00 -0.61 -4.51 105.19 107.59 1r4y n GLY 28 Ca -0.07 0.75 -0.02 0.00 0.00 0.00 0.00 46.02 46.68 1r4y n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 29 N -0.46 0.00 -4.45 1.61 5.02 -1.24 -5.00 118.16 113.64 1r4y n LYS 29 Ca 0.07 -1.23 -0.27 0.00 -2.02 0.00 0.00 58.31 54.87 1r4y n LYS 29 Cb 0.32 0.19 -0.13 0.00 -0.02 0.00 0.00 35.03 35.38 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1r4y s THR 30 N 0.00 1.97 0.20 -0.18 -4.23 -1.25 -5.02 115.64 107.13 1r4y s THR 30 Ca 0.12 -1.56 -0.22 0.00 -1.18 0.00 0.00 61.69 58.85 1r4y s THR 30 Cb 0.13 -1.74 0.13 0.00 1.34 0.00 0.00 72.50 72.36 1r4y s THR 30 CO -0.06 0.09 1.53 0.61 -0.54 0.00 0.00 174.62 176.24 1r4y n GLY 31 N 1.21 -2.21 0.31 3.99 0.00 -0.88 -1.84 105.19 105.76 1r4y n GLY 31 Ca -0.18 1.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.85 1r4y n GLY 31 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1r4y h SER 32 N 0.00 -0.61 0.00 1.61 0.87 -1.25 -3.34 113.55 110.83 1r4y h SER 32 Ca 0.28 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1r4y h SER 32 Cb 0.53 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1r4y h SER 32 CO -0.96 -0.21 0.00 -1.20 -0.53 0.00 0.00 176.83 173.93 1r4y n SER 33 N -5.22 0.00 -4.76 6.23 7.64 -0.76 -5.01 113.62 111.75 1r4y n SER 33 Ca -0.09 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.40 1r4y n SER 33 Cb 0.28 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.52 1r4y n SER 33 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1r4y s TYR 34 N 0.00 2.34 0.80 1.43 2.02 -1.26 -3.64 117.35 119.04 1r4y s TYR 34 Ca 0.00 1.31 -0.12 0.00 -0.37 0.00 0.00 57.07 57.90 1r4y s TYR 34 Cb 0.00 -3.88 0.07 0.00 -0.40 0.00 0.00 41.96 37.76 1r4y s TYR 34 CO 0.00 -2.99 1.10 -1.25 -1.57 0.00 0.00 175.55 170.84 1r4y s PRO 35 N -2.71 2.02 0.18 -1.71 0.04 -1.26 -4.63 135.00 126.93 1r4y s PRO 35 Ca 0.67 0.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.32 1r4y s PRO 35 Cb -0.42 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1r4y s PRO 35 CO 0.52 -1.66 0.10 -3.38 0.04 0.00 0.00 177.00 172.62 1r4y s HIS 36 N -3.16 1.09 -0.26 0.56 -3.43 -1.12 -1.57 115.29 107.39 1r4y s HIS 36 Ca 0.61 -1.30 -0.29 0.00 -0.80 0.00 0.00 55.06 53.28 1r4y s HIS 36 Cb -0.14 -0.56 -0.02 0.00 -1.43 0.00 0.00 32.58 30.42 1r4y s HIS 36 CO 0.54 -0.56 1.60 -0.46 -2.00 0.00 0.00 174.74 173.86 1r4y s TRP 37 N -4.08 2.13 -1.26 0.38 -0.00 -1.26 -2.40 118.94 112.44 1r4y s TRP 37 Ca 0.33 0.59 -0.16 0.00 -0.00 0.00 0.00 56.10 56.87 1r4y s TRP 37 Cb 0.07 -4.03 0.12 0.00 -0.00 0.00 0.00 33.47 29.63 1r4y s TRP 37 CO 0.08 -2.77 1.62 0.34 -0.00 0.00 0.00 176.95 176.22 1r4y n PHE 38 N 8.70 4.73 -0.33 5.86 7.35 0.19 -4.84 117.46 139.13 1r4y n PHE 38 Ca 0.19 -3.08 0.30 0.00 -0.76 0.00 0.00 57.45 54.10 1r4y n PHE 38 Cb 0.46 -2.41 0.53 0.00 0.35 0.00 0.00 39.48 38.40 1r4y n PHE 38 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1r4y n THR 39 N 5.45 -0.28 -0.94 -2.13 -2.24 -1.26 -4.38 114.28 108.50 1r4y n THR 39 Ca 0.43 1.59 0.00 0.00 -2.27 0.00 0.00 64.05 63.80 1r4y n THR 39 Cb 0.44 -2.60 0.00 0.00 -2.10 0.00 0.00 70.33 66.07 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 -4.62 -3.38 0.00 3.42 5.15 -1.26 -1.84 115.26 112.73 1r4y n ASN 40 Ca 0.32 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1r4y n ASN 40 Cb 1.18 -1.83 0.00 0.00 -0.53 0.00 0.00 39.78 38.60 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 -1.23 1.89 3.18 8.20 0.00 -1.26 -3.76 105.19 112.21 1r4y n GLY 41 Ca 0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 1r4y n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r4y n TYR 42 N 0.00 -1.82 -0.09 1.61 4.02 -0.77 -4.21 117.16 115.90 1r4y n TYR 42 Ca 0.00 0.06 -0.22 0.00 -0.01 0.00 0.00 57.90 57.73 1r4y n TYR 42 Cb 0.00 -1.49 -0.12 0.00 -0.02 0.00 0.00 39.34 37.71 1r4y n TYR 42 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1r4y n ASP 43 N -1.62 2.01 0.00 7.72 9.92 0.24 -4.80 116.55 130.02 1r4y n ASP 43 Ca 0.03 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1r4y n ASP 43 Cb 0.54 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 1r4y n ASP 43 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r4y n GLY 44 N 1.90 -0.37 0.00 0.44 0.00 -1.26 -5.06 105.19 100.83 1r4y n GLY 44 Ca -0.41 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.26 0.00 -1.18 1.61 8.00 -1.26 -1.49 116.55 119.97 1r4y n ASP 45 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1r4y n ASP 45 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 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 0.77 3.21 0.44 0.00 -1.26 -3.16 105.19 108.27 1r4y n GLY 46 Ca 0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 1r4y n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4y s LYS 47 N 0.00 1.30 0.24 1.61 1.02 -1.26 -4.98 119.74 117.67 1r4y s LYS 47 Ca 0.16 -0.85 0.07 0.00 0.02 0.00 0.00 55.97 55.37 1r4y s LYS 47 Cb 0.19 -1.37 -0.04 0.00 -0.52 0.00 0.00 37.83 36.10 1r4y s LYS 47 CO -0.08 0.35 0.17 -0.51 -0.92 0.00 0.00 175.35 174.36 1r4y s LEU 48 N -1.05 3.76 0.00 3.17 1.43 -1.26 0.80 118.68 125.53 1r4y s LEU 48 Ca 0.06 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 1r4y s LEU 48 Cb -0.08 -2.30 0.16 0.00 0.03 0.00 0.00 46.19 43.99 1r4y s LEU 48 CO 0.01 -0.02 0.68 -0.81 0.23 0.00 0.00 176.35 176.44 1r4y n PRO 49 N -1.01 -1.69 -1.97 1.29 -0.04 -1.26 -4.87 135.00 125.45 1r4y n PRO 49 Ca -0.08 -1.07 -0.36 0.00 -0.04 0.00 0.00 63.50 61.96 1r4y n PRO 49 Cb 0.57 -0.88 -0.03 0.00 -0.04 0.00 0.00 33.50 33.12 1r4y n PRO 49 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1r4y s LYS 50 N -4.51 2.52 0.00 0.54 2.47 -1.26 -3.99 119.74 115.51 1r4y s LYS 50 Ca 0.42 0.58 0.00 0.00 -1.56 0.00 0.00 55.97 55.41 1r4y s LYS 50 Cb -0.03 -4.52 0.00 0.00 -1.46 0.00 0.00 37.83 31.82 1r4y s LYS 50 CO 0.31 -2.94 0.00 0.41 0.16 0.00 0.00 175.35 173.29 1r4y n GLY 51 N 5.93 -1.60 3.29 5.54 0.00 -1.26 -5.13 105.19 111.96 1r4y n GLY 51 Ca 0.26 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1r4y n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r4y s ARG 52 N -0.17 0.46 -0.28 1.61 1.81 -1.26 -5.13 118.95 115.98 1r4y s ARG 52 Ca 0.00 0.61 0.00 0.00 -1.72 0.00 0.00 55.73 54.62 1r4y s ARG 52 Cb 0.00 0.18 0.09 0.00 -0.45 0.00 0.00 34.95 34.76 1r4y s ARG 52 CO 0.00 -0.08 0.05 0.99 -0.68 0.00 0.00 175.30 175.58 1r4y s THR 53 N 0.46 1.21 0.70 0.02 2.01 -1.26 -4.98 115.64 113.79 1r4y s THR 53 Ca -0.02 -1.42 -0.12 0.00 0.31 0.00 0.00 61.69 60.44 1r4y s THR 53 Cb -0.04 -1.79 0.01 0.00 0.01 0.00 0.00 72.50 70.70 1r4y s THR 53 CO -0.02 -0.48 1.08 -2.16 -0.69 0.00 0.00 174.62 172.34 1r4y s PRO 54 N 1.48 2.77 -0.12 4.92 0.04 -1.25 -4.89 135.00 137.96 1r4y s PRO 54 Ca 0.05 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 1r4y s PRO 54 Cb -0.18 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1r4y s PRO 54 CO -0.16 -1.24 1.13 0.42 0.04 0.00 0.00 177.00 177.19 1r4y s ILE 55 N -2.79 4.47 -0.03 0.56 1.01 -1.26 -5.01 121.20 118.16 1r4y s ILE 55 Ca 0.61 1.78 -0.18 0.00 0.00 0.00 0.00 60.65 62.86 1r4y s ILE 55 Cb -0.16 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 1r4y s ILE 55 CO 0.50 -0.06 0.50 -0.75 0.00 0.00 0.00 174.94 175.13 1r4y s LYS 56 N 2.57 4.19 -0.05 2.79 2.47 -1.26 -4.97 119.74 125.49 1r4y s LYS 56 Ca 0.52 0.55 -0.04 0.00 -1.56 0.00 0.00 55.97 55.44 1r4y s LYS 56 Cb -0.21 -3.32 -0.03 0.00 -1.46 0.00 0.00 37.83 32.82 1r4y s LYS 56 CO 0.17 0.44 -0.09 1.19 0.16 0.00 0.00 175.35 177.21 1r4y n PHE 57 N 2.59 0.00 0.00 4.03 3.72 -1.26 -4.97 117.46 121.57 1r4y n PHE 57 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1r4y n PHE 57 Cb 0.51 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 2.64 0.78 3.74 1.37 0.00 -1.26 -5.12 105.19 107.35 1r4y n GLY 58 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 4.27 0.00 1.61 3.01 -1.26 -4.95 119.74 122.42 1r4y s LYS 59 Ca 0.00 0.46 0.10 0.00 -1.01 0.00 0.00 55.97 55.52 1r4y s LYS 59 Cb 0.00 -3.39 0.44 0.00 -1.01 0.00 0.00 37.83 33.87 1r4y s LYS 59 CO 0.00 0.27 1.32 0.45 0.51 0.00 0.00 175.35 177.90 1r4y n SER 60 N 3.28 0.00 -0.11 2.83 2.88 -1.26 -0.37 113.62 120.87 1r4y n SER 60 Ca -0.08 0.48 -0.24 0.00 -1.33 0.00 0.00 58.87 57.70 1r4y n SER 60 Cb 0.52 -0.49 -0.11 0.00 -0.75 0.00 0.00 64.21 63.38 1r4y n SER 60 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1r4y n ASP 61 N -1.49 1.89 0.00 -3.46 9.92 -1.26 -1.91 116.55 120.24 1r4y n ASP 61 Ca 0.03 0.40 0.12 0.00 -0.53 0.00 0.00 54.79 54.80 1r4y n ASP 61 Cb 0.12 -0.93 0.58 0.00 -0.64 0.00 0.00 41.12 40.25 1r4y n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r4y n ASP 63 N -1.33 0.52 -4.31 0.00 2.03 0.50 -4.88 116.55 109.08 1r4y n ASP 63 Ca 0.10 -0.03 -0.33 0.00 0.52 0.00 0.00 54.79 55.05 1r4y n ASP 63 Cb 0.21 0.63 0.15 0.00 -0.72 0.00 0.00 41.12 41.39 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 -2.88 -1.05 -2.34 -0.67 1.85 -0.80 -4.91 116.66 105.85 1r4y n ARG 64 Ca -0.36 -0.28 -0.41 0.00 -1.00 0.00 0.00 57.85 55.79 1r4y n ARG 64 Cb 1.12 -1.71 -0.03 0.00 -1.05 0.00 0.00 32.46 30.78 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 -3.43 4.48 1.01 2.89 0.04 -1.26 -4.99 135.00 133.73 1r4y s PRO 65 Ca 0.55 1.91 -0.13 0.00 0.04 0.00 0.00 61.00 63.37 1r4y s PRO 65 Cb -0.14 -3.23 0.19 0.00 0.04 0.00 0.00 34.50 31.36 1r4y s PRO 65 CO 0.67 -0.11 1.12 -1.25 0.04 0.00 0.00 177.00 177.47 1r4y s PRO 66 N -0.30 0.36 -0.41 0.56 0.04 -1.19 -4.79 135.00 129.27 1r4y s PRO 66 Ca 0.53 0.32 0.07 0.00 0.04 0.00 0.00 61.00 61.96 1r4y s PRO 66 Cb -0.33 -1.75 0.23 0.00 0.04 0.00 0.00 34.50 32.69 1r4y s PRO 66 CO 0.37 -2.73 0.50 1.17 0.04 0.00 0.00 177.00 176.35 1r4y n LYS 67 N -4.14 0.73 -1.90 4.56 3.00 -1.26 -4.28 118.16 114.88 1r4y n LYS 67 Ca 0.07 -3.32 -0.31 0.00 -0.00 0.00 0.00 58.31 54.75 1r4y n LYS 67 Cb 0.58 -1.38 0.01 0.00 0.00 0.00 0.00 35.03 34.24 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 -1.01 3.55 0.30 5.64 5.65 -0.56 -3.91 115.29 124.95 1r4y s HIS 68 Ca 0.35 1.32 0.02 0.00 0.25 0.00 0.00 55.06 57.00 1r4y s HIS 68 Cb 0.14 -2.75 -0.01 0.00 -1.18 0.00 0.00 32.58 28.79 1r4y s HIS 68 CO -0.12 -0.72 0.36 0.43 -0.65 0.00 0.00 174.74 174.03 1r4y n SER 69 N -2.66 -0.96 -3.53 9.88 7.64 -1.26 -4.68 113.62 118.05 1r4y n SER 69 Ca 0.06 -2.74 -0.40 0.00 1.01 0.00 0.00 58.87 56.80 1r4y n SER 69 Cb 0.54 1.92 -0.01 0.00 -1.01 0.00 0.00 64.21 65.65 1r4y n SER 69 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1r4y n LYS 70 N -0.52 4.00 0.00 1.43 4.01 -1.26 -3.67 118.16 122.15 1r4y n LYS 70 Ca 0.03 -3.06 0.00 0.00 -0.51 0.00 0.00 58.31 54.77 1r4y n LYS 70 Cb 0.51 -2.80 0.00 0.00 -0.51 0.00 0.00 35.03 32.24 1r4y n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1r4y n ASP 71 N 3.06 0.00 0.00 4.39 9.92 -1.26 -5.05 116.55 127.61 1r4y n ASP 71 Ca 0.61 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 1r4y n ASP 71 Cb 0.28 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r4y n GLY 72 N -0.58 1.81 2.67 0.44 0.00 -1.24 -4.81 105.19 103.48 1r4y n GLY 72 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 5.23 0.00 1.61 6.94 -1.26 -4.23 115.26 123.55 1r4y n ASN 73 Ca 0.00 -3.73 0.00 0.00 -0.02 0.00 0.00 54.58 50.83 1r4y n ASN 73 Cb 0.00 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 36.80 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 -0.40 -2.34 0.00 4.83 0.00 -1.26 -4.71 105.19 101.30 1r4y n GLY 74 Ca 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.07 1.61 5.02 -1.26 -4.56 118.16 117.90 1r4y n LYS 75 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1r4y n LYS 75 Cb 0.00 -0.85 -0.01 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.66 0.00 -0.49 -0.18 5.66 -1.26 -5.09 114.28 112.26 1r4y n THR 76 Ca 0.00 -0.46 -0.11 0.00 -3.05 0.00 0.00 64.05 60.43 1r4y n THR 76 Cb 0.00 0.68 -0.06 0.00 -1.55 0.00 0.00 70.33 69.40 1r4y n THR 76 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1r4y n ASP 77 N 0.23 -0.11 -1.68 1.09 9.92 -1.25 -4.70 116.55 120.05 1r4y n ASP 77 Ca -0.03 -0.02 -0.03 0.00 -0.53 0.00 0.00 54.79 54.17 1r4y n ASP 77 Cb 0.89 -0.26 0.24 0.00 -0.64 0.00 0.00 41.12 41.35 1r4y n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r4y n HIS 78 N 2.86 1.82 -0.21 1.24 1.44 -1.26 -4.67 115.22 116.45 1r4y n HIS 78 Ca 0.22 -0.90 -0.20 0.00 -2.01 0.00 0.00 57.72 54.83 1r4y n HIS 78 Cb 0.02 -0.54 0.19 0.00 0.12 0.00 0.00 29.99 29.78 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 0.02 -3.03 -3.93 -1.40 0.18 -1.26 -4.09 117.16 103.64 1r4y n TYR 79 Ca 0.29 -0.47 -0.31 0.00 1.88 0.00 0.00 57.90 59.30 1r4y n TYR 79 Cb 1.11 -0.93 -0.04 0.00 -0.38 0.00 0.00 39.34 39.10 1r4y n TYR 79 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1r4y s LEU 80 N 0.00 4.31 -0.06 -3.48 1.43 -1.26 -1.65 118.68 117.96 1r4y s LEU 80 Ca 0.43 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.77 1r4y s LEU 80 Cb -0.08 -2.87 0.03 0.00 0.03 0.00 0.00 46.19 43.31 1r4y s LEU 80 CO 0.36 0.18 0.04 -0.76 0.23 0.00 0.00 176.35 176.41 1r4y s LEU 81 N -2.41 0.33 0.53 1.79 1.43 -0.64 0.54 118.68 120.25 1r4y s LEU 81 Ca 0.33 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.33 1r4y s LEU 81 Cb -0.13 -0.26 -0.01 0.00 0.03 0.00 0.00 46.19 45.83 1r4y s LEU 81 CO 0.26 -0.24 0.83 -1.83 0.23 0.00 0.00 176.35 175.60 1r4y s GLU 82 N 2.10 3.15 -0.21 1.70 1.03 -1.01 -3.45 118.70 122.01 1r4y s GLU 82 Ca 0.05 -0.01 -0.08 0.00 0.03 0.00 0.00 54.97 54.96 1r4y s GLU 82 Cb -0.13 -2.35 0.09 0.00 -0.80 0.00 0.00 34.13 30.94 1r4y s GLU 82 CO -0.04 -0.47 0.45 0.12 -1.33 0.00 0.00 175.26 173.99 1r4y s PHE 83 N -2.84 -0.83 -0.32 4.83 5.36 -0.85 -2.81 117.98 120.52 1r4y s PHE 83 Ca 0.51 1.59 -0.29 0.00 -0.96 0.00 0.00 56.93 57.78 1r4y s PHE 83 Cb -0.10 0.36 -0.01 0.00 -0.34 0.00 0.00 43.02 42.93 1r4y s PHE 83 CO 0.44 -0.48 1.55 -1.25 -1.46 0.00 0.00 175.22 174.02 1r4y s PRO 84 N 2.39 3.63 -0.20 10.12 0.04 -1.26 -0.79 135.00 148.93 1r4y s PRO 84 Ca -0.04 1.30 -0.02 0.00 0.04 0.00 0.00 61.00 62.28 1r4y s PRO 84 Cb -0.11 -4.05 -0.00 0.00 0.04 0.00 0.00 34.50 30.38 1r4y s PRO 84 CO -0.14 -1.49 -0.08 -0.08 0.04 0.00 0.00 177.00 175.24 1r4y s THR 85 N 5.56 3.08 0.54 1.26 -1.32 -1.13 -4.85 115.64 118.77 1r4y s THR 85 Ca 0.68 -0.60 -0.11 0.00 -1.21 0.00 0.00 61.69 60.44 1r4y s THR 85 Cb -0.19 -2.37 -0.05 0.00 -1.51 0.00 0.00 72.50 68.37 1r4y s THR 85 CO 0.31 0.46 0.94 -0.36 -2.21 0.00 0.00 174.62 173.75 1r4y s PHE 86 N 1.30 3.55 0.11 9.09 0.08 -1.26 -4.78 117.98 126.07 1r4y s PHE 86 Ca 0.04 1.22 -0.09 0.00 0.12 0.00 0.00 56.93 58.22 1r4y s PHE 86 Cb -0.14 -2.63 -0.15 0.00 -0.57 0.00 0.00 43.02 39.53 1r4y s PHE 86 CO -0.04 -0.45 1.26 -1.00 -0.10 0.00 0.00 175.22 174.89 1r4y h PRO 87 N 0.34 0.58 -1.34 0.24 0.13 -1.94 -3.19 132.00 126.82 1r4y h PRO 87 Ca -0.46 -0.59 0.39 0.00 -0.87 0.00 0.00 66.00 64.47 1r4y h PRO 87 Cb 1.19 0.16 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 1r4y h PRO 87 CO 0.62 1.21 0.95 -0.44 -0.23 0.00 0.00 178.00 180.11 1r4y h ASP 88 N 0.34 0.05 0.00 1.44 5.19 -1.95 -3.44 116.42 118.05 1r4y h ASP 88 Ca -0.10 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1r4y h ASP 88 Cb 1.60 0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.12 1r4y h ASP 88 CO 0.18 -0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.91 1r4y n GLY 89 N -1.76 0.61 3.69 2.75 0.00 -1.21 -5.02 105.19 104.26 1r4y n GLY 89 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.21 2.35 -0.59 1.61 -3.43 -1.26 -4.87 115.29 106.90 1r4y s HIS 90 Ca 0.00 0.15 -0.26 0.00 -0.80 0.00 0.00 55.06 54.15 1r4y s HIS 90 Cb 0.00 -4.10 -0.08 0.00 -1.43 0.00 0.00 32.58 26.97 1r4y s HIS 90 CO 0.00 -4.44 2.37 0.16 -2.00 0.00 0.00 174.74 170.83 1r4y s ASP 91 N 2.39 4.35 0.17 7.38 1.47 -1.26 -4.67 116.67 126.51 1r4y s ASP 91 Ca 0.78 0.73 -0.22 0.00 1.18 0.00 0.00 52.55 55.01 1r4y s ASP 91 Cb -0.44 -2.52 -0.14 0.00 -0.34 0.00 0.00 42.92 39.48 1r4y s ASP 91 CO 0.34 -3.11 0.40 0.00 0.68 0.00 0.00 175.17 173.48 1r4y n TYR 92 N 16.42 -0.49 -1.14 2.11 9.36 -1.26 -4.73 117.16 137.43 1r4y n TYR 92 Ca 0.38 0.77 -0.34 0.00 3.32 0.00 0.00 57.90 62.04 1r4y n TYR 92 Cb 0.52 -1.58 -0.03 0.00 -0.63 0.00 0.00 39.34 37.61 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 0.83 3.22 0.00 2.98 2.85 -1.26 -4.47 118.16 122.31 1r4y n LYS 93 Ca 0.14 -1.96 0.12 0.00 -1.05 0.00 0.00 58.31 55.56 1r4y n LYS 93 Cb 0.21 -2.68 0.59 0.00 -0.65 0.00 0.00 35.03 32.50 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 3.73 0.00 -0.05 5.58 1.16 -1.26 -3.26 117.46 123.36 1r4y n PHE 94 Ca 0.68 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 56.14 1r4y n PHE 94 Cb 0.21 -0.41 -0.14 0.00 -1.61 0.00 0.00 39.48 37.54 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 -1.41 1.06 -4.55 5.98 2.03 -1.26 -1.14 116.55 117.26 1r4y n ASP 95 Ca 0.09 0.20 -0.42 0.00 0.52 0.00 0.00 54.79 55.18 1r4y n ASP 95 Cb 0.26 -0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.62 1r4y n ASP 95 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1r4y s SER 96 N -6.19 6.33 0.10 1.67 0.15 -1.20 -2.95 113.70 111.61 1r4y s SER 96 Ca -0.13 -0.21 -0.22 0.00 0.70 0.00 0.00 55.95 56.09 1r4y s SER 96 Cb 0.07 -2.52 -0.11 0.00 -1.71 0.00 0.00 66.02 61.75 1r4y s SER 96 CO 0.79 -1.52 1.75 0.07 1.20 0.00 0.00 173.24 175.53 1r4y h LYS 97 N 9.62 0.08 -3.50 5.44 2.10 -1.85 -3.34 116.57 125.12 1r4y h LYS 97 Ca -0.26 -0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.04 1r4y h LYS 97 Cb 1.06 -0.02 -0.36 0.00 -0.90 0.00 0.00 32.23 32.01 1r4y h LYS 97 CO 1.19 0.05 -0.74 -1.59 -2.00 0.00 0.00 179.45 176.36 1r4y s LYS 98 N -6.19 0.06 1.16 0.07 -2.85 -1.26 -3.77 119.74 106.97 1r4y s LYS 98 Ca -0.13 0.23 -0.18 0.00 -1.00 0.00 0.00 55.97 54.88 1r4y s LYS 98 Cb 0.07 -0.44 0.27 0.00 -2.06 0.00 0.00 37.83 35.67 1r4y s LYS 98 CO 0.67 -0.23 1.14 -1.25 0.10 0.00 0.00 175.35 175.78 1r4y s PRO 99 N 1.51 -0.89 0.03 1.78 0.04 -1.26 -5.18 135.00 131.03 1r4y s PRO 99 Ca -0.03 -0.08 0.03 0.00 0.04 0.00 0.00 61.00 60.96 1r4y s PRO 99 Cb -0.13 -1.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 1r4y s PRO 99 CO -0.03 -3.49 -0.10 -1.59 0.04 0.00 0.00 177.00 171.83 1r4y s LYS 100 N -5.44 0.72 0.18 4.56 -2.85 -1.25 -4.75 119.74 110.92 1r4y s LYS 100 Ca 0.71 -0.59 -0.03 0.00 -1.00 0.00 0.00 55.97 55.06 1r4y s LYS 100 Cb -0.09 -0.67 -0.05 0.00 -2.06 0.00 0.00 37.83 34.96 1r4y s LYS 100 CO 0.56 0.16 0.40 -2.00 0.10 0.00 0.00 175.35 174.57 1r4y s GLU 101 N -0.93 3.57 0.51 1.78 2.56 -1.26 -5.07 118.70 119.86 1r4y s GLU 101 Ca -0.01 -0.21 -0.19 0.00 0.00 0.00 0.00 54.97 54.56 1r4y s GLU 101 Cb -0.07 -2.83 -0.12 0.00 2.00 0.00 0.00 34.13 33.11 1r4y s GLU 101 CO 0.01 0.41 0.26 0.09 -0.56 0.00 0.00 175.26 175.47 1r4y n ASN 102 N -0.37 -2.09 -2.85 -1.70 3.02 -1.26 -5.00 115.26 105.01 1r4y n ASN 102 Ca -0.03 0.74 0.00 0.00 -0.03 0.00 0.00 54.58 55.26 1r4y n ASN 102 Cb 0.53 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 1r4y n ASN 102 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1r4y n PRO 103 N 0.72 0.18 -4.08 3.52 -0.04 -1.26 -5.05 135.00 128.99 1r4y n PRO 103 Ca 0.10 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 1r4y n PRO 103 Cb 0.45 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 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 -1.81 0.47 0.00 0.55 0.00 -1.26 -5.08 107.32 100.19 1r4y s GLY 104 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1r4y s GLY 104 CO 0.00 -1.16 0.17 -1.55 0.00 0.00 0.00 173.10 170.56 1r4y n PRO 105 N 0.50 0.00 -1.78 2.90 -0.04 -1.26 -4.82 135.00 130.49 1r4y n PRO 105 Ca -0.16 0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 1r4y n PRO 105 Cb 0.59 -0.83 -0.01 0.00 -0.04 0.00 0.00 33.50 33.21 1r4y n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r4y s ALA 106 N -3.30 3.70 0.00 0.55 0.00 -1.26 -4.47 121.76 116.99 1r4y s ALA 106 Ca 0.00 1.58 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 1r4y s ALA 106 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 1r4y s ALA 106 CO 0.00 -1.01 0.04 1.03 0.00 0.00 0.00 175.76 175.82 1r4y s ARG 107 N -0.97 0.28 -0.12 0.00 0.52 -0.26 -2.84 118.95 115.57 1r4y s ARG 107 Ca 0.60 -0.35 -0.27 0.00 -0.52 0.00 0.00 55.73 55.20 1r4y s ARG 107 Cb -0.48 0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.09 1r4y s ARG 107 CO 0.52 -0.05 0.88 0.54 0.02 0.00 0.00 175.30 177.21 1r4y s VAL 108 N -0.99 4.88 -0.08 3.52 0.11 0.03 -1.52 120.40 126.35 1r4y s VAL 108 Ca -0.11 1.76 -0.03 0.00 -2.93 0.00 0.00 61.98 60.68 1r4y s VAL 108 Cb -0.07 -4.19 -0.04 0.00 -1.53 0.00 0.00 36.38 30.56 1r4y s VAL 108 CO -0.00 0.07 0.05 -0.63 -3.33 0.00 0.00 175.10 171.26 1r4y s ILE 109 N 1.79 4.71 -0.05 7.04 -1.09 -0.54 -2.00 121.20 131.06 1r4y s ILE 109 Ca 0.42 -0.15 -0.29 0.00 -2.23 0.00 0.00 60.65 58.41 1r4y s ILE 109 Cb -0.18 -3.03 0.10 0.00 -1.58 0.00 0.00 42.46 37.78 1r4y s ILE 109 CO 0.16 0.57 0.87 -0.72 -1.23 0.00 0.00 174.94 174.59 1r4y s TYR 110 N -0.97 -0.41 0.43 3.97 -0.85 -1.22 -0.10 117.35 118.19 1r4y s TYR 110 Ca 0.15 0.48 -0.02 0.00 -0.52 0.00 0.00 57.07 57.16 1r4y s TYR 110 Cb -0.12 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.69 1r4y s TYR 110 CO 0.05 -0.51 0.68 0.95 -1.52 0.00 0.00 175.55 175.20 1r4y s THR 111 N -2.27 4.77 0.16 -3.49 -4.23 -1.25 -1.62 115.64 107.71 1r4y s THR 111 Ca 0.00 -0.17 0.06 0.00 -1.18 0.00 0.00 61.69 60.40 1r4y s THR 111 Cb -0.01 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 1r4y s THR 111 CO -0.03 -0.64 0.03 -0.47 -0.54 0.00 0.00 174.62 172.97 1r4y s TYR 112 N -2.57 2.93 -0.06 3.99 6.14 -0.66 -3.27 117.35 123.85 1r4y s TYR 112 Ca 0.45 -0.10 -0.21 0.00 0.64 0.00 0.00 57.07 57.85 1r4y s TYR 112 Cb -0.10 -1.43 -0.16 0.00 0.42 0.00 0.00 41.96 40.69 1r4y s TYR 112 CO 0.40 0.51 0.87 -1.00 0.64 0.00 0.00 175.55 176.97 1r4y h PRO 113 N 2.76 -0.18 -5.75 4.97 0.13 -1.87 -3.37 132.00 128.68 1r4y h PRO 113 Ca -0.47 0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 63.99 1r4y h PRO 113 Cb 1.20 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 1r4y h PRO 113 CO 0.59 0.28 1.45 -1.71 -0.23 0.00 0.00 178.00 178.38 1r4y n ASN 114 N -4.90 0.91 -4.23 1.44 5.15 -1.26 -4.69 115.26 107.68 1r4y n ASN 114 Ca -0.08 0.48 -0.29 0.00 -0.60 0.00 0.00 54.58 54.10 1r4y n ASN 114 Cb 0.27 -0.98 -0.09 0.00 -0.53 0.00 0.00 39.78 38.44 1r4y n ASN 114 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1r4y n LYS 115 N 7.89 0.73 -1.86 1.20 5.02 -1.20 -4.28 118.16 125.66 1r4y n LYS 115 Ca 0.55 -1.82 -0.40 0.00 -2.02 0.00 0.00 58.31 54.62 1r4y n LYS 115 Cb 0.04 -3.46 -0.02 0.00 -0.02 0.00 0.00 35.03 31.57 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 7.87 2.92 -1.10 -0.18 0.31 -1.21 -4.82 118.33 122.11 1r4y n VAL 116 Ca 0.45 -2.77 -0.43 0.00 -0.01 0.00 0.00 64.34 61.58 1r4y n VAL 116 Cb 0.45 -2.40 -0.11 0.00 -0.91 0.00 0.00 33.84 30.87 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 8.41 0.75 -0.01 3.52 7.35 -1.26 -3.77 117.46 132.45 1r4y n PHE 117 Ca 0.49 0.50 -0.19 0.00 -0.76 0.00 0.00 57.45 57.49 1r4y n PHE 117 Cb 0.42 -1.90 -0.14 0.00 0.35 0.00 0.00 39.48 38.22 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 1.65 -0.54 3.16 0.00 0.00 -1.20 -4.99 105.19 103.26 1r4y n GLY 119 Ca -0.19 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.00 1.23 0.09 -0.61 -1.09 -1.26 -1.47 121.20 114.10 1r4y s ILE 120 Ca 0.00 -0.98 0.03 0.00 -2.23 0.00 0.00 60.65 57.47 1r4y s ILE 120 Cb 0.00 -1.09 -0.04 0.00 -1.58 0.00 0.00 42.46 39.75 1r4y s ILE 120 CO 0.00 0.10 -0.09 0.27 -1.23 0.00 0.00 174.94 173.98 1r4y s ILE 121 N -0.76 0.87 -0.21 2.92 -4.36 -0.57 0.63 121.20 119.72 1r4y s ILE 121 Ca 0.03 -1.63 -0.29 0.00 -0.26 0.00 0.00 60.65 58.50 1r4y s ILE 121 Cb -0.08 -1.33 0.15 0.00 1.25 0.00 0.00 42.46 42.45 1r4y s ILE 121 CO 0.01 -0.58 1.12 0.00 0.24 0.00 0.00 174.94 175.73 1r4y s ALA 122 N -2.50 -2.00 -0.76 2.27 0.00 -0.61 -1.10 121.76 117.06 1r4y s ALA 122 Ca 0.05 1.70 -0.20 0.00 0.00 0.00 0.00 51.96 53.50 1r4y s ALA 122 Cb -0.02 -1.04 0.10 0.00 0.00 0.00 0.00 23.12 22.16 1r4y s ALA 122 CO -0.01 -0.27 0.99 -1.01 0.00 0.00 0.00 175.76 175.46 1r4y s HIS 123 N -0.93 2.91 -0.63 0.00 0.09 -1.26 -2.90 115.29 112.58 1r4y s HIS 123 Ca 0.02 -0.96 -0.02 0.00 -0.00 0.00 0.00 55.06 54.10 1r4y s HIS 123 Cb -0.01 -4.24 0.40 0.00 -0.00 0.00 0.00 32.58 28.72 1r4y s HIS 123 CO -0.02 -1.53 2.05 -2.37 -0.00 0.00 0.00 174.74 172.87 1r4y n THR 124 N 5.67 3.50 -0.05 1.30 5.66 -1.26 -4.23 114.28 124.87 1r4y n THR 124 Ca 0.06 -2.86 -0.03 0.00 -3.05 0.00 0.00 64.05 58.17 1r4y n THR 124 Cb 0.46 -1.20 -0.11 0.00 -1.55 0.00 0.00 70.33 67.93 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 -0.65 1.40 0.02 1.09 3.00 -1.26 -5.02 118.16 116.73 1r4y n LYS 125 Ca 0.57 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 1r4y n LYS 125 Cb 0.61 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 34.27 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 -2.40 0.00 0.00 1.64 0.00 -1.26 -5.02 120.64 113.60 1r4y n GLU 126 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1r4y n GLU 126 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.26 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 -2.93 4.31 5.15 -1.26 -5.03 115.26 113.36 1r4y n ASN 127 Ca 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 1r4y n ASN 127 Cb 0.00 0.14 -0.02 0.00 -0.53 0.00 0.00 39.78 39.37 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 -1.86 0.48 0.00 1.20 7.27 -1.26 -4.83 117.38 118.38 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 -1.51 0.00 0.00 2.41 0.00 0.00 30.24 31.14 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 2.73 1.88 3.82 1.69 0.00 -1.26 -5.11 105.19 108.93 1r4y n GLY 129 Ca 0.20 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 1.42 4.27 -0.08 1.61 2.02 -1.26 -5.01 118.70 121.66 1r4y s GLU 130 Ca 0.00 0.95 0.01 0.00 0.02 0.00 0.00 54.97 55.94 1r4y s GLU 130 Cb 0.00 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 1r4y s GLU 130 CO 0.00 0.28 -0.08 -1.17 0.02 0.00 0.00 175.26 174.31 1r4y s LEU 131 N -2.32 3.05 0.23 1.80 2.96 -1.26 -4.04 118.68 119.10 1r4y s LEU 131 Ca 0.49 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1r4y s LEU 131 Cb -0.15 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1r4y s LEU 131 CO 0.20 0.31 0.17 -1.59 -1.32 0.00 0.00 176.35 174.12 1r4y s LYS 132 N -0.49 1.33 0.12 1.98 -2.85 -1.14 -4.86 119.74 113.83 1r4y s LYS 132 Ca 0.07 -1.70 -0.19 0.00 -1.00 0.00 0.00 55.97 53.15 1r4y s LYS 132 Cb -0.12 0.29 -0.07 0.00 -2.06 0.00 0.00 37.83 35.87 1r4y s LYS 132 CO 0.02 -0.45 0.61 -1.17 0.10 0.00 0.00 175.35 174.46 1r4y s LEU 133 N -3.20 4.47 0.00 2.77 2.96 -1.26 -1.57 118.68 122.84 1r4y s LEU 133 Ca 0.39 1.29 -0.13 0.00 -0.22 0.00 0.00 54.13 55.45 1r4y s LEU 133 Cb 0.06 -3.13 0.20 0.00 0.50 0.00 0.00 46.19 43.82 1r4y s LEU 133 CO 0.15 0.19 0.65 0.00 -1.32 0.00 0.00 176.35 176.02 1r4y s SER 135 N -3.19 -0.81 0.00 0.00 0.01 -1.05 -4.87 113.70 103.79 1r4y s SER 135 Ca 0.44 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 56.17 1r4y s SER 135 Cb -0.05 1.50 0.00 0.00 0.21 0.00 0.00 66.02 67.68 1r4y s SER 135 CO 0.34 -0.13 0.00 0.00 0.41 0.00 0.00 173.24 173.86