#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 0.31 -2.78 0.00 3.14 -1.26 -3.90 118.33 113.84 1r4y n VAL 2 Ca 0.00 -0.44 -0.43 0.00 -2.96 0.00 0.00 64.34 60.51 1r4y n VAL 2 Cb 0.00 -0.21 -0.04 0.00 -1.06 0.00 0.00 33.84 32.53 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 -2.04 4.46 0.29 1.55 2.01 -1.26 -2.13 115.64 118.52 1r4y s THR 3 Ca 0.51 0.95 -0.28 0.00 0.31 0.00 0.00 61.69 63.18 1r4y s THR 3 Cb -0.29 -4.44 -0.09 0.00 0.01 0.00 0.00 72.50 67.69 1r4y s THR 3 CO 0.73 -0.78 0.95 0.26 -0.69 0.00 0.00 174.62 175.08 1r4y s TRP 4 N 3.80 3.80 0.00 4.92 0.52 0.25 -4.81 118.94 127.42 1r4y s TRP 4 Ca 0.39 1.84 0.01 0.00 0.02 0.00 0.00 56.10 58.35 1r4y s TRP 4 Cb -0.10 -2.96 -0.00 0.00 -1.15 0.00 0.00 33.47 29.25 1r4y s TRP 4 CO 0.25 0.27 -0.02 0.99 0.02 0.00 0.00 176.95 178.46 1r4y s THR 5 N -1.42 0.17 -0.56 2.01 2.01 -1.26 0.20 115.64 116.79 1r4y s THR 5 Ca 0.46 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 62.34 1r4y s THR 5 Cb -0.22 -0.16 0.33 0.00 0.01 0.00 0.00 72.50 72.46 1r4y s THR 5 CO 0.28 -0.01 0.90 0.00 -0.69 0.00 0.00 174.62 175.09 1r4y n GLY 7 N -0.06 0.00 0.00 0.00 0.00 -1.26 -4.61 105.19 99.26 1r4y n GLY 7 Ca 0.30 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.36 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 -0.36 -1.03 3.35 -0.02 0.00 -1.26 -4.92 105.19 100.95 1r4y n GLY 8 Ca -0.12 0.40 -0.18 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 2.42 0.65 0.99 1.43 -1.26 -5.16 118.68 117.75 1r4y s LEU 9 Ca 0.00 -1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 51.93 1r4y s LEU 9 Cb 0.00 -0.50 0.05 0.00 0.03 0.00 0.00 46.19 45.78 1r4y s LEU 9 CO 0.00 -0.35 0.93 -0.76 0.23 0.00 0.00 176.35 176.40 1r4y s LEU 10 N -3.33 2.99 -0.45 1.79 2.01 -1.26 -3.46 118.68 116.97 1r4y s LEU 10 Ca 0.26 0.25 0.07 0.00 0.01 0.00 0.00 54.13 54.71 1r4y s LEU 10 Cb 0.03 -2.97 0.18 0.00 0.01 0.00 0.00 46.19 43.45 1r4y s LEU 10 CO 0.08 -1.45 0.70 -0.31 1.01 0.00 0.00 176.35 176.38 1r4y s TYR 11 N -3.07 -1.61 -0.04 0.29 2.02 0.13 -4.10 117.35 110.98 1r4y s TYR 11 Ca 0.59 -0.07 -0.35 0.00 -0.37 0.00 0.00 57.07 56.87 1r4y s TYR 11 Cb -0.10 0.30 -0.13 0.00 -0.40 0.00 0.00 41.96 41.63 1r4y s TYR 11 CO 0.42 -1.16 1.77 -1.71 -1.57 0.00 0.00 175.55 173.30 1r4y n ASN 12 N 3.78 3.17 -0.33 2.29 4.05 -1.26 -0.58 115.26 126.37 1r4y n ASN 12 Ca 0.13 1.02 0.20 0.00 0.45 0.00 0.00 54.58 56.38 1r4y n ASN 12 Cb 0.57 -1.35 0.42 0.00 1.23 0.00 0.00 39.78 40.64 1r4y n ASN 12 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 1r4y h GLN 13 N 8.00 0.41 -0.35 1.20 4.15 -1.54 0.56 115.11 127.53 1r4y h GLN 13 Ca -0.47 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 58.95 1r4y h GLN 13 Cb 1.28 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.84 1r4y h GLN 13 CO 0.93 0.27 0.15 -0.97 -1.93 0.00 0.00 178.83 177.28 1r4y h ASN 14 N 0.42 0.21 -0.32 -0.69 -0.73 -1.84 0.14 115.58 112.76 1r4y h ASN 14 Ca 0.68 0.03 -0.17 0.00 1.87 0.00 0.00 56.30 58.70 1r4y h ASN 14 Cb 1.42 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 40.00 1r4y h ASN 14 CO -0.55 0.16 -0.47 0.11 -0.37 0.00 0.00 177.43 176.31 1r4y h LYS 15 N 0.32 0.90 -0.94 6.67 1.57 -0.93 0.43 116.57 124.59 1r4y h LYS 15 Ca 0.15 -0.52 0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1r4y h LYS 15 Cb 0.09 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.35 1r4y h LYS 15 CO -0.13 1.17 0.55 0.00 -0.57 0.00 0.00 179.45 180.47 1r4y h ALA 16 N 0.74 1.47 0.05 3.86 0.00 0.50 0.66 119.26 126.54 1r4y h ALA 16 Ca 0.04 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1r4y h ALA 16 Cb 1.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1r4y h ALA 16 CO 0.11 0.01 -1.19 1.05 0.00 0.00 0.00 179.25 179.24 1r4y h GLU 17 N 0.77 0.11 0.27 0.00 4.11 -0.75 -3.31 114.58 115.77 1r4y h GLU 17 Ca 0.51 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.74 1r4y h GLU 17 Cb 0.69 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1r4y h GLU 17 CO -0.34 1.09 -0.13 1.03 0.07 0.00 0.00 179.01 180.73 1r4y h SER 18 N -0.67 -0.30 -1.27 3.06 0.87 0.29 0.61 113.55 116.13 1r4y h SER 18 Ca -0.29 -0.21 0.42 0.00 -1.23 0.00 0.00 61.79 60.49 1r4y h SER 18 Cb 1.48 0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 63.38 1r4y h SER 18 CO -0.06 0.08 0.81 -1.13 -0.53 0.00 0.00 176.83 176.00 1r4y h ASN 19 N -0.73 0.27 0.61 6.23 -0.73 0.15 0.30 115.58 121.68 1r4y h ASN 19 Ca -0.04 0.15 -0.28 0.00 1.87 0.00 0.00 56.30 58.00 1r4y h ASN 19 Cb 0.49 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.20 1r4y h ASN 19 CO 0.06 -0.19 -1.37 0.77 -0.37 0.00 0.00 177.43 176.34 1r4y h SER 20 N 0.10 0.29 -1.22 1.15 4.64 -1.37 -3.34 113.55 113.81 1r4y h SER 20 Ca 0.81 -0.37 0.37 0.00 -0.47 0.00 0.00 61.79 62.13 1r4y h SER 20 Cb 2.47 -0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 64.35 1r4y h SER 20 CO -0.45 1.30 0.79 0.45 -0.87 0.00 0.00 176.83 178.06 1r4y h HIS 21 N 0.05 0.53 -0.01 4.77 3.86 0.41 0.14 115.15 124.90 1r4y h HIS 21 Ca -0.17 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.03 1r4y h HIS 21 Cb 1.96 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 30.29 1r4y h HIS 21 CO 0.05 -0.09 -0.10 0.45 0.86 0.00 0.00 177.93 179.09 1r4y h HIS 22 N 0.19 0.13 -0.77 2.45 3.86 -1.66 -3.46 115.15 115.88 1r4y h HIS 22 Ca 0.72 -0.06 -0.62 0.00 -1.16 0.00 0.00 60.37 59.26 1r4y h HIS 22 Cb 2.18 -0.02 0.03 0.00 1.06 0.00 0.00 27.41 30.66 1r4y h HIS 22 CO -0.00 0.79 0.11 0.00 0.86 0.00 0.00 177.93 179.68 1r4y n ALA 23 N -2.48 -2.70 -2.38 2.45 0.00 0.48 -4.84 120.51 111.04 1r4y n ALA 23 Ca -0.09 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1r4y n ALA 23 Cb 0.40 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 0.28 4.29 -0.42 0.00 0.04 -1.26 -4.91 135.00 133.01 1r4y s PRO 24 Ca 0.71 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 63.24 1r4y s PRO 24 Cb -1.00 -3.66 -0.07 0.00 0.04 0.00 0.00 34.50 29.81 1r4y s PRO 24 CO 0.46 -0.59 2.37 -0.11 0.04 0.00 0.00 177.00 179.18 1r4y n LEU 25 N 5.85 2.53 0.00 -3.56 7.94 -1.26 -4.75 117.00 123.75 1r4y n LEU 25 Ca 0.13 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 1r4y n LEU 25 Cb 0.45 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.84 1r4y n LEU 25 CO 0.56 -1.32 0.00 -1.20 -1.11 0.00 0.00 177.39 174.32 1r4y n SER 26 N 14.67 0.00 -4.54 1.96 7.64 -1.26 -5.02 113.62 127.07 1r4y n SER 26 Ca 0.36 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.82 1r4y n SER 26 Cb 0.51 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 1r4y n SER 26 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1r4y s ASP 27 N 0.00 6.53 -0.40 6.43 2.15 -1.26 -4.45 116.67 125.67 1r4y s ASP 27 Ca 0.00 -1.59 -0.12 0.00 0.43 0.00 0.00 52.55 51.27 1r4y s ASP 27 Cb 0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 1r4y s ASP 27 CO 0.00 -1.41 0.47 0.61 -0.17 0.00 0.00 175.17 174.67 1r4y n GLY 28 N 6.58 -1.94 2.71 2.66 0.00 -0.89 -4.70 105.19 109.61 1r4y n GLY 28 Ca 0.31 1.08 -0.05 0.00 0.00 0.00 0.00 46.02 47.37 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 -0.10 1.33 -4.24 1.61 5.02 -1.25 -5.03 118.16 115.50 1r4y n LYS 29 Ca 0.09 -2.46 -0.20 0.00 -2.02 0.00 0.00 58.31 53.73 1r4y n LYS 29 Cb 0.36 -0.61 -0.12 0.00 -0.02 0.00 0.00 35.03 34.64 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 -1.61 1.40 0.23 -0.18 -4.23 -1.26 -5.02 115.64 104.97 1r4y s THR 30 Ca 0.22 -1.60 -0.15 0.00 -1.18 0.00 0.00 61.69 58.98 1r4y s THR 30 Cb 0.41 -1.45 0.27 0.00 1.34 0.00 0.00 72.50 73.08 1r4y s THR 30 CO -0.05 -0.28 1.58 1.23 -0.54 0.00 0.00 174.62 176.55 1r4y h GLY 31 N 3.80 0.28 0.00 3.99 0.00 -1.50 -2.81 103.07 106.83 1r4y h GLY 31 Ca -0.42 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1r4y h GLY 31 CO 0.46 -0.26 0.00 -1.26 0.00 0.00 0.00 176.54 175.47 1r4y n SER 32 N -5.50 0.00 0.02 0.19 2.88 -0.48 -3.80 113.62 106.93 1r4y n SER 32 Ca 0.10 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1r4y n SER 32 Cb 0.41 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1r4y n SER 32 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1r4y n SER 33 N -0.80 -0.36 -4.75 -3.46 3.41 -1.06 -4.93 113.62 101.66 1r4y n SER 33 Ca 0.00 0.45 -0.38 0.00 -0.26 0.00 0.00 58.87 58.68 1r4y n SER 33 Cb 0.00 0.71 0.03 0.00 -0.26 0.00 0.00 64.21 64.70 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 -1.83 2.39 0.98 7.33 2.02 -1.26 -3.79 117.35 123.19 1r4y s TYR 34 Ca 0.00 1.42 -0.17 0.00 -0.37 0.00 0.00 57.07 57.95 1r4y s TYR 34 Cb 0.00 -3.69 0.23 0.00 -0.40 0.00 0.00 41.96 38.10 1r4y s TYR 34 CO 0.00 -2.60 1.24 -0.35 -1.57 0.00 0.00 175.55 172.27 1r4y n PRO 35 N -1.02 -1.57 -3.80 -1.71 -0.04 -1.26 -4.70 135.00 120.90 1r4y n PRO 35 Ca 0.10 -1.92 -0.10 0.00 -0.04 0.00 0.00 63.50 61.55 1r4y n PRO 35 Cb 0.46 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 1r4y n PRO 35 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1r4y s HIS 36 N -3.63 0.03 0.33 0.54 -3.43 -1.05 -2.09 115.29 105.99 1r4y s HIS 36 Ca 0.72 -0.38 -0.28 0.00 -0.80 0.00 0.00 55.06 54.31 1r4y s HIS 36 Cb -0.03 0.23 -0.10 0.00 -1.43 0.00 0.00 32.58 31.25 1r4y s HIS 36 CO 0.51 -0.82 1.21 -0.46 -2.00 0.00 0.00 174.74 173.18 1r4y s TRP 37 N -3.89 3.21 -0.62 0.38 -0.00 -1.26 -1.81 118.94 114.94 1r4y s TRP 37 Ca 0.11 1.53 0.02 0.00 -0.00 0.00 0.00 56.10 57.77 1r4y s TRP 37 Cb 0.01 -3.50 0.15 0.00 -0.00 0.00 0.00 33.47 30.14 1r4y s TRP 37 CO -0.03 -1.34 0.40 0.12 -0.00 0.00 0.00 176.95 176.10 1r4y s PHE 38 N -1.21 3.39 0.41 5.86 5.36 0.84 -4.80 117.98 127.83 1r4y s PHE 38 Ca 0.49 -3.13 0.30 0.00 -0.96 0.00 0.00 56.93 53.63 1r4y s PHE 38 Cb -0.35 -2.90 1.41 0.00 -0.34 0.00 0.00 43.02 40.83 1r4y s PHE 38 CO 0.46 -0.71 1.49 0.25 -1.46 0.00 0.00 175.22 175.26 1r4y n THR 39 N 2.80 -0.26 -0.92 0.12 -2.24 -1.26 -4.41 114.28 108.10 1r4y n THR 39 Ca 0.11 1.75 0.00 0.00 -2.27 0.00 0.00 64.05 63.64 1r4y n THR 39 Cb 0.34 -2.86 0.00 0.00 -2.10 0.00 0.00 70.33 65.71 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 -4.69 -1.97 0.00 3.42 5.15 -1.26 -1.70 115.26 114.22 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 1.46 -1.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 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 -1.85 1.48 3.84 8.20 0.00 -1.26 -4.09 105.19 111.52 1r4y n GLY 41 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 2.36 -0.12 1.61 1.51 -0.69 -4.39 117.35 115.63 1r4y s TYR 42 Ca 0.00 0.69 -0.04 0.00 -1.01 0.00 0.00 57.07 56.71 1r4y s TYR 42 Cb 0.00 -3.57 -0.25 0.00 -0.11 0.00 0.00 41.96 38.02 1r4y s TYR 42 CO 0.00 -2.31 0.35 -0.25 -1.11 0.00 0.00 175.55 172.22 1r4y n ASP 43 N -3.67 2.00 0.00 2.29 8.00 -1.25 -4.83 116.55 119.08 1r4y n ASP 43 Ca 0.09 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1r4y n ASP 43 Cb 0.60 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1r4y n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r4y n GLY 44 N 1.98 0.44 1.67 0.44 0.00 -1.26 -5.03 105.19 103.44 1r4y n GLY 44 Ca -0.32 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 0.15 -4.61 1.61 8.00 -1.26 -1.38 116.55 119.06 1r4y n ASP 45 Ca 0.00 0.24 -0.35 0.00 0.71 0.00 0.00 54.79 55.39 1r4y n ASP 45 Cb 0.00 0.10 0.10 0.00 -0.02 0.00 0.00 41.12 41.30 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 2.17 -0.52 3.18 0.44 0.00 -1.26 -4.19 105.19 105.01 1r4y n GLY 46 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 1r4y n GLY 46 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1r4y n LYS 47 N -2.17 -2.51 -1.66 1.61 2.85 -1.26 -3.97 118.16 111.04 1r4y n LYS 47 Ca 0.12 -0.73 -0.37 0.00 -1.05 0.00 0.00 58.31 56.28 1r4y n LYS 47 Cb 0.50 -1.69 0.06 0.00 -0.65 0.00 0.00 35.03 33.25 1r4y n LYS 47 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1r4y n LEU 48 N -2.49 4.76 -4.79 -5.58 4.32 -1.26 -4.46 117.00 107.50 1r4y n LEU 48 Ca 0.05 0.81 -0.31 0.00 -0.02 0.00 0.00 56.01 56.53 1r4y n LEU 48 Cb 0.51 -1.46 0.06 0.00 -1.62 0.00 0.00 43.42 40.91 1r4y n LEU 48 CO 0.40 -1.50 0.71 -2.16 -1.22 0.00 0.00 177.39 173.62 1r4y s PRO 49 N -3.05 2.70 -0.68 3.23 0.04 -1.26 -4.87 135.00 131.11 1r4y s PRO 49 Ca 0.79 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 62.67 1r4y s PRO 49 Cb -0.40 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.06 1r4y s PRO 49 CO 0.44 -1.30 2.46 1.17 0.04 0.00 0.00 177.00 179.81 1r4y n LYS 50 N -3.12 0.68 0.00 4.56 4.81 -1.26 -3.54 118.16 120.29 1r4y n LYS 50 Ca 0.08 -0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1r4y n LYS 50 Cb 0.53 -2.95 0.00 0.00 0.02 0.00 0.00 35.03 32.63 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 0.75 3.61 3.14 0.00 -1.26 -5.17 105.19 112.47 1r4y n GLY 51 Ca 0.47 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.59 0.47 -0.19 1.61 3.52 -1.23 -5.16 118.95 117.39 1r4y s ARG 52 Ca 0.00 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.34 1r4y s ARG 52 Cb 0.00 0.19 0.08 0.00 -1.56 0.00 0.00 34.95 33.66 1r4y s ARG 52 CO 0.00 -0.21 0.16 0.99 -0.81 0.00 0.00 175.30 175.42 1r4y s THR 53 N -2.57 -0.21 1.14 4.11 2.01 -1.26 -5.01 115.64 113.85 1r4y s THR 53 Ca 0.11 -0.13 -0.19 0.00 0.31 0.00 0.00 61.69 61.79 1r4y s THR 53 Cb 0.01 -0.62 0.27 0.00 0.01 0.00 0.00 72.50 72.17 1r4y s THR 53 CO -0.04 -0.24 1.19 -2.16 -0.69 0.00 0.00 174.62 172.68 1r4y s PRO 54 N 2.23 -0.77 -0.27 4.92 0.04 -1.26 -4.93 135.00 134.97 1r4y s PRO 54 Ca 0.04 -0.24 -0.21 0.00 0.04 0.00 0.00 61.00 60.63 1r4y s PRO 54 Cb -0.16 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 1r4y s PRO 54 CO -0.10 -3.38 0.68 0.42 0.04 0.00 0.00 177.00 174.66 1r4y s ILE 55 N -3.31 4.92 0.08 0.56 1.01 -1.26 -5.03 121.20 118.17 1r4y s ILE 55 Ca 0.73 1.15 -0.27 0.00 0.00 0.00 0.00 60.65 62.26 1r4y s ILE 55 Cb -0.07 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 1r4y s ILE 55 CO 0.55 -0.06 0.85 -0.75 0.00 0.00 0.00 174.94 175.53 1r4y s LYS 56 N 2.64 4.59 -0.04 2.79 2.47 -1.26 -4.90 119.74 126.03 1r4y s LYS 56 Ca 0.28 1.24 -0.01 0.00 -1.56 0.00 0.00 55.97 55.92 1r4y s LYS 56 Cb -0.15 -3.36 -0.02 0.00 -1.46 0.00 0.00 37.83 32.83 1r4y s LYS 56 CO 0.09 0.27 -0.05 1.19 0.16 0.00 0.00 175.35 177.02 1r4y n PHE 57 N 2.71 0.00 0.00 4.03 3.72 -1.26 -4.81 117.46 121.85 1r4y n PHE 57 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1r4y n PHE 57 Cb 0.50 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 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 3.05 1.00 3.83 1.37 0.00 -1.26 -5.06 105.19 108.12 1r4y n GLY 58 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 3.41 0.00 1.61 1.02 -1.26 -4.99 119.74 119.53 1r4y s LYS 59 Ca 0.00 -0.20 0.30 0.00 0.02 0.00 0.00 55.97 56.09 1r4y s LYS 59 Cb 0.00 -3.12 1.72 0.00 -0.52 0.00 0.00 37.83 35.91 1r4y s LYS 59 CO 0.00 0.72 2.09 0.45 -0.92 0.00 0.00 175.35 177.69 1r4y n SER 60 N 2.14 0.00 -0.09 2.83 2.88 -1.26 -2.29 113.62 117.83 1r4y n SER 60 Ca -0.19 -0.79 -0.18 0.00 -1.33 0.00 0.00 58.87 56.38 1r4y n SER 60 Cb 0.54 -0.05 -0.11 0.00 -0.75 0.00 0.00 64.21 63.85 1r4y n SER 60 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1r4y h ASP 61 N 0.00 0.00 0.22 -3.46 3.32 -1.94 -2.99 116.42 111.57 1r4y h ASP 61 Ca 0.00 -0.55 -0.19 0.00 0.02 0.00 0.00 57.03 56.31 1r4y h ASP 61 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1r4y h ASP 61 CO 0.00 1.29 -0.74 0.00 -1.72 0.00 0.00 179.24 178.07 1r4y h ASP 63 N 0.30 0.79 -3.13 0.00 3.58 -1.64 -3.45 116.42 112.88 1r4y h ASP 63 Ca -0.03 -0.12 -0.52 0.00 0.42 0.00 0.00 57.03 56.78 1r4y h ASP 63 Cb 1.32 -0.20 0.22 0.00 1.72 0.00 0.00 39.33 42.39 1r4y h ASP 63 CO 0.13 0.74 -0.74 -2.11 -2.88 0.00 0.00 179.24 174.38 1r4y n ARG 64 N -4.30 -0.51 -2.27 0.28 1.85 -1.13 -4.93 116.66 105.64 1r4y n ARG 64 Ca 0.05 -0.11 -0.42 0.00 -1.00 0.00 0.00 57.85 56.37 1r4y n ARG 64 Cb 0.19 -1.78 -0.03 0.00 -1.05 0.00 0.00 32.46 29.79 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 -3.52 4.40 0.92 2.89 0.04 -1.26 -4.99 135.00 133.49 1r4y s PRO 65 Ca 0.56 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 1r4y s PRO 65 Cb -0.19 -3.24 0.14 0.00 0.04 0.00 0.00 34.50 31.25 1r4y s PRO 65 CO 0.68 -0.26 1.11 -1.25 0.04 0.00 0.00 177.00 177.32 1r4y s PRO 66 N 0.32 1.04 -0.43 0.56 0.04 -1.26 -4.92 135.00 130.34 1r4y s PRO 66 Ca 0.58 0.53 0.09 0.00 0.04 0.00 0.00 61.00 62.24 1r4y s PRO 66 Cb -0.35 -1.81 0.41 0.00 0.04 0.00 0.00 34.50 32.79 1r4y s PRO 66 CO 0.35 -2.32 1.00 1.17 0.04 0.00 0.00 177.00 177.24 1r4y n LYS 67 N -3.89 2.59 -1.59 4.56 3.00 -1.26 -4.43 118.16 117.13 1r4y n LYS 67 Ca 0.06 -4.16 -0.30 0.00 -0.00 0.00 0.00 58.31 53.91 1r4y n LYS 67 Cb 0.57 -1.95 0.09 0.00 0.00 0.00 0.00 35.03 33.74 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 -3.31 2.87 0.00 5.64 5.65 -0.48 -4.37 115.29 121.29 1r4y s HIS 68 Ca 0.42 1.13 0.00 0.00 0.25 0.00 0.00 55.06 56.86 1r4y s HIS 68 Cb 0.39 -3.13 0.00 0.00 -1.18 0.00 0.00 32.58 28.66 1r4y s HIS 68 CO -0.11 -1.72 0.00 -1.13 -0.65 0.00 0.00 174.74 171.12 1r4y n SER 69 N -3.40 0.00 -4.33 9.88 3.41 -1.26 -4.51 113.62 113.42 1r4y n SER 69 Ca 0.07 -0.80 -0.42 0.00 -0.26 0.00 0.00 58.87 57.46 1r4y n SER 69 Cb 0.56 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1r4y n SER 69 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1r4y n LYS 70 N 0.00 3.01 0.00 4.33 4.01 -1.26 -3.83 118.16 124.42 1r4y n LYS 70 Ca 0.00 -3.03 0.00 0.00 -0.51 0.00 0.00 58.31 54.77 1r4y n LYS 70 Cb 0.00 -3.44 0.00 0.00 -0.51 0.00 0.00 35.03 31.08 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 8.00 0.00 0.00 4.39 9.92 -1.26 -5.05 116.55 132.54 1r4y n ASP 71 Ca 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 1r4y n ASP 71 Cb 0.44 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 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 -0.83 2.23 2.58 0.44 0.00 -1.25 -4.82 105.19 103.55 1r4y n GLY 72 Ca 0.00 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 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 0.55 2.81 0.00 1.61 0.23 -1.26 -4.51 115.26 114.70 1r4y n ASN 73 Ca 0.00 -3.36 0.00 0.00 -0.53 0.00 0.00 54.58 50.69 1r4y n ASN 73 Cb 0.00 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 37.11 1r4y n ASN 73 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r4y n GLY 74 N 0.09 -2.07 0.00 4.83 0.00 -1.26 -4.91 105.19 101.87 1r4y n GLY 74 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.52 1.61 5.02 -1.26 -4.78 118.16 118.23 1r4y n LYS 75 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1r4y n LYS 75 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 35.03 35.30 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 0.00 2.02 -0.87 -0.18 5.66 -1.26 -5.02 114.28 114.63 1r4y n THR 76 Ca 0.00 -1.47 -0.22 0.00 -3.05 0.00 0.00 64.05 59.31 1r4y n THR 76 Cb 0.00 -0.02 -0.09 0.00 -1.55 0.00 0.00 70.33 68.67 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 0.29 0.04 -1.94 1.09 9.92 -1.26 -4.69 116.55 120.00 1r4y n ASP 77 Ca 0.22 0.05 -0.13 0.00 -0.53 0.00 0.00 54.79 54.39 1r4y n ASP 77 Cb 0.86 -0.50 -0.04 0.00 -0.64 0.00 0.00 41.12 40.80 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 5.71 0.80 -2.22 1.24 1.44 -1.26 -4.71 115.22 116.21 1r4y n HIS 78 Ca 0.38 -1.60 -0.41 0.00 -2.01 0.00 0.00 57.72 54.08 1r4y n HIS 78 Cb 0.03 -1.08 -0.03 0.00 0.12 0.00 0.00 29.99 29.03 1r4y n HIS 78 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1r4y s TYR 79 N -0.68 3.26 0.37 -1.40 -0.85 -1.26 -4.23 117.35 112.55 1r4y s TYR 79 Ca 0.37 1.26 -0.26 0.00 -0.52 0.00 0.00 57.07 57.92 1r4y s TYR 79 Cb 0.23 -3.59 -0.09 0.00 0.38 0.00 0.00 41.96 38.89 1r4y s TYR 79 CO -0.05 -1.81 1.16 -0.51 -1.52 0.00 0.00 175.55 172.82 1r4y s LEU 80 N -0.29 4.30 -0.01 -3.49 1.43 -1.26 -3.25 118.68 116.11 1r4y s LEU 80 Ca 0.56 2.35 0.01 0.00 -1.03 0.00 0.00 54.13 56.01 1r4y s LEU 80 Cb -0.36 -3.90 0.01 0.00 0.03 0.00 0.00 46.19 41.96 1r4y s LEU 80 CO 0.39 -0.53 -0.03 -0.22 0.23 0.00 0.00 176.35 176.20 1r4y s LEU 81 N -2.19 1.78 0.40 1.79 0.20 -0.88 -0.11 118.68 119.66 1r4y s LEU 81 Ca 0.53 -0.06 0.07 0.00 0.69 0.00 0.00 54.13 55.37 1r4y s LEU 81 Cb -0.31 -0.21 0.01 0.00 -0.43 0.00 0.00 46.19 45.24 1r4y s LEU 81 CO 0.40 0.01 0.55 -1.83 -0.29 0.00 0.00 176.35 175.19 1r4y s GLU 82 N 0.22 2.90 -0.24 1.98 1.03 -0.75 -2.30 118.70 121.53 1r4y s GLU 82 Ca -0.02 -1.16 -0.14 0.00 0.03 0.00 0.00 54.97 53.68 1r4y s GLU 82 Cb -0.05 -2.77 0.07 0.00 -0.80 0.00 0.00 34.13 30.58 1r4y s GLU 82 CO -0.00 -0.19 0.59 0.12 -1.33 0.00 0.00 175.26 174.45 1r4y s PHE 83 N -2.31 -0.91 -0.68 4.83 5.36 -0.54 -2.54 117.98 121.18 1r4y s PHE 83 Ca 0.52 1.84 -0.26 0.00 -0.96 0.00 0.00 56.93 58.07 1r4y s PHE 83 Cb -0.10 0.51 -0.01 0.00 -0.34 0.00 0.00 43.02 43.08 1r4y s PHE 83 CO 0.33 -0.46 1.72 -1.25 -1.46 0.00 0.00 175.22 174.09 1r4y s PRO 84 N 1.55 2.79 -0.40 10.12 0.04 -1.26 -0.51 135.00 147.33 1r4y s PRO 84 Ca -0.10 0.26 -0.13 0.00 0.04 0.00 0.00 61.00 61.08 1r4y s PRO 84 Cb -0.06 -4.43 0.03 0.00 0.04 0.00 0.00 34.50 30.08 1r4y s PRO 84 CO -0.17 -2.63 0.27 -0.08 0.04 0.00 0.00 177.00 174.42 1r4y s THR 85 N 8.23 4.87 0.57 1.26 -1.32 -1.24 -4.85 115.64 123.16 1r4y s THR 85 Ca 0.59 -0.85 -0.11 0.00 -1.21 0.00 0.00 61.69 60.10 1r4y s THR 85 Cb -0.11 -3.76 -0.05 0.00 -1.51 0.00 0.00 72.50 67.08 1r4y s THR 85 CO 0.16 -0.32 0.97 -0.36 -2.21 0.00 0.00 174.62 172.86 1r4y s PHE 86 N 1.60 3.57 0.11 9.09 0.08 -1.26 -4.83 117.98 126.34 1r4y s PHE 86 Ca 0.03 1.25 -0.02 0.00 0.12 0.00 0.00 56.93 58.31 1r4y s PHE 86 Cb -0.20 -2.66 -0.17 0.00 -0.57 0.00 0.00 43.02 39.42 1r4y s PHE 86 CO 0.08 -0.53 1.24 -1.00 -0.10 0.00 0.00 175.22 174.91 1r4y h PRO 87 N 0.12 0.27 -1.44 0.24 0.13 -1.96 -3.19 132.00 126.18 1r4y h PRO 87 Ca -0.45 -0.37 0.43 0.00 -0.87 0.00 0.00 66.00 64.74 1r4y h PRO 87 Cb 1.19 0.12 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 1r4y h PRO 87 CO 0.62 1.12 0.99 -0.44 -0.23 0.00 0.00 178.00 180.05 1r4y h ASP 88 N 0.11 0.14 0.00 1.44 5.19 -1.94 -3.45 116.42 117.92 1r4y h ASP 88 Ca -0.09 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1r4y h ASP 88 Cb 1.76 0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.31 1r4y h ASP 88 CO 0.17 -0.06 0.00 0.61 -3.12 0.00 0.00 179.24 176.85 1r4y n GLY 89 N -1.69 0.75 3.71 2.75 0.00 -1.21 -5.03 105.19 104.48 1r4y n GLY 89 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.60 3.40 -0.75 1.61 -3.43 -1.26 -4.93 115.29 107.33 1r4y s HIS 90 Ca 0.00 1.28 -0.26 0.00 -0.80 0.00 0.00 55.06 55.28 1r4y s HIS 90 Cb 0.00 -3.43 -0.11 0.00 -1.43 0.00 0.00 32.58 27.61 1r4y s HIS 90 CO 0.00 -1.33 2.33 0.34 -2.00 0.00 0.00 174.74 174.08 1r4y s ASP 91 N 1.11 4.19 0.26 7.38 2.15 -1.26 -4.73 116.67 125.77 1r4y s ASP 91 Ca 0.59 0.13 -0.23 0.00 0.43 0.00 0.00 52.55 53.47 1r4y s ASP 91 Cb -0.29 -2.54 -0.15 0.00 -0.30 0.00 0.00 42.92 39.63 1r4y s ASP 91 CO 0.29 -3.52 0.31 0.00 -0.17 0.00 0.00 175.17 172.08 1r4y n TYR 92 N 17.40 -1.08 -0.98 -5.34 9.36 -1.26 -4.77 117.16 130.48 1r4y n TYR 92 Ca 0.43 0.75 -0.27 0.00 3.32 0.00 0.00 57.90 62.13 1r4y n TYR 92 Cb 0.46 -1.72 -0.04 0.00 -0.63 0.00 0.00 39.34 37.41 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 1.05 2.70 0.21 2.98 2.85 -1.26 -4.42 118.16 122.26 1r4y n LYS 93 Ca 0.14 -1.68 0.14 0.00 -1.05 0.00 0.00 58.31 55.86 1r4y n LYS 93 Cb 0.29 -2.53 0.43 0.00 -0.65 0.00 0.00 35.03 32.57 1r4y n LYS 93 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1r4y h PHE 94 N 5.43 0.00 0.00 5.58 -5.15 -1.87 -3.14 116.94 117.78 1r4y h PHE 94 Ca 0.61 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 58.31 1r4y h PHE 94 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.50 1r4y h PHE 94 CO 1.89 0.00 -1.36 -3.47 -2.00 0.00 0.00 178.31 173.37 1r4y n ASP 95 N -2.82 0.69 -4.47 -0.68 2.03 -1.26 -1.38 116.55 108.65 1r4y n ASP 95 Ca 0.03 0.28 -0.43 0.00 0.52 0.00 0.00 54.79 55.19 1r4y n ASP 95 Cb 0.39 0.61 -0.07 0.00 -0.72 0.00 0.00 41.12 41.33 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 -5.38 6.24 0.12 1.67 0.15 -1.19 -2.86 113.70 112.45 1r4y s SER 96 Ca -0.03 -0.74 -0.20 0.00 0.70 0.00 0.00 55.95 55.68 1r4y s SER 96 Cb 0.10 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1r4y s SER 96 CO 0.82 -0.78 1.72 0.07 1.20 0.00 0.00 173.24 176.27 1r4y h LYS 97 N 8.90 0.06 -3.74 5.44 2.10 -1.83 -3.34 116.57 124.15 1r4y h LYS 97 Ca -0.27 -0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 57.98 1r4y h LYS 97 Cb 1.10 -0.01 -0.36 0.00 -0.90 0.00 0.00 32.23 32.06 1r4y h LYS 97 CO 0.90 0.04 -0.76 0.15 -2.00 0.00 0.00 179.45 177.78 1r4y s LYS 98 N -6.19 0.49 1.11 0.07 1.02 -1.26 -3.72 119.74 111.27 1r4y s LYS 98 Ca -0.13 0.07 -0.17 0.00 0.02 0.00 0.00 55.97 55.76 1r4y s LYS 98 Cb 0.09 -0.74 0.25 0.00 -0.52 0.00 0.00 37.83 36.91 1r4y s LYS 98 CO 0.68 -0.20 1.15 -1.25 -0.92 0.00 0.00 175.35 174.81 1r4y s PRO 99 N 1.44 -0.51 -0.04 -1.68 0.04 -1.26 -5.16 135.00 127.83 1r4y s PRO 99 Ca -0.03 -0.02 -0.01 0.00 0.04 0.00 0.00 61.00 60.97 1r4y s PRO 99 Cb -0.13 -1.68 0.03 0.00 0.04 0.00 0.00 34.50 32.76 1r4y s PRO 99 CO -0.03 -3.25 0.02 0.21 0.04 0.00 0.00 177.00 174.00 1r4y s LYS 100 N -5.42 0.23 0.61 4.56 2.20 -1.24 -4.78 119.74 115.90 1r4y s LYS 100 Ca 0.70 0.19 -0.11 0.00 -0.36 0.00 0.00 55.97 56.39 1r4y s LYS 100 Cb -0.10 -0.60 -0.04 0.00 -1.51 0.00 0.00 37.83 35.57 1r4y s LYS 100 CO 0.55 -0.25 1.02 -2.00 -0.36 0.00 0.00 175.35 174.32 1r4y s GLU 101 N 1.65 3.63 0.36 4.03 2.12 -1.26 -5.02 118.70 124.21 1r4y s GLU 101 Ca -0.01 0.76 -0.28 0.00 0.36 0.00 0.00 54.97 55.80 1r4y s GLU 101 Cb -0.13 -2.09 -0.11 0.00 0.26 0.00 0.00 34.13 32.07 1r4y s GLU 101 CO -0.03 -0.54 1.52 1.21 -0.54 0.00 0.00 175.26 176.88 1r4y s ASN 102 N -4.09 6.32 0.57 -1.70 3.84 -1.26 -5.02 114.94 113.60 1r4y s ASN 102 Ca 0.55 3.06 0.00 0.00 0.21 0.00 0.00 52.86 56.68 1r4y s ASN 102 Cb -0.11 -2.66 0.00 0.00 -0.55 0.00 0.00 41.25 37.93 1r4y s ASN 102 CO 0.52 -0.91 0.00 -0.81 -2.79 0.00 0.00 177.10 173.12 1r4y n PRO 103 N 0.80 -0.02 -4.21 0.43 -0.04 -1.26 -5.10 135.00 125.60 1r4y n PRO 103 Ca 0.03 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.33 1r4y n PRO 103 Cb 0.39 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.74 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 -1.93 0.95 0.39 0.55 0.00 -1.26 -5.03 107.32 101.00 1r4y s GLY 104 Ca 0.00 -1.26 0.28 0.00 0.00 0.00 0.00 44.72 43.73 1r4y s GLY 104 CO 0.00 -1.34 1.81 -0.56 0.00 0.00 0.00 173.10 173.01 1r4y h PRO 105 N 3.44 0.00 -5.73 2.90 0.13 -1.98 -3.43 132.00 127.34 1r4y h PRO 105 Ca -0.38 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.09 1r4y h PRO 105 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 1r4y h PRO 105 CO 0.53 0.00 -0.70 0.00 -0.23 0.00 0.00 178.00 177.60 1r4y s ALA 106 N -3.40 2.91 0.03 -0.56 0.00 -1.26 -4.04 121.76 115.45 1r4y s ALA 106 Ca 0.04 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1r4y s ALA 106 Cb 0.09 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 1r4y s ALA 106 CO 0.52 0.40 -0.05 1.03 0.00 0.00 0.00 175.76 177.66 1r4y s ARG 107 N -0.22 0.43 -0.19 0.00 0.52 -1.11 -3.72 118.95 114.66 1r4y s ARG 107 Ca 0.03 -0.73 -0.27 0.00 -0.52 0.00 0.00 55.73 54.23 1r4y s ARG 107 Cb -0.13 -0.04 -0.01 0.00 0.52 0.00 0.00 34.95 35.29 1r4y s ARG 107 CO 0.03 -0.02 0.93 0.54 0.02 0.00 0.00 175.30 176.80 1r4y s VAL 108 N -1.68 4.80 -0.22 3.52 0.11 0.34 -2.14 120.40 125.12 1r4y s VAL 108 Ca -0.11 1.81 -0.04 0.00 -2.93 0.00 0.00 61.98 60.71 1r4y s VAL 108 Cb -0.08 -4.22 -0.01 0.00 -1.53 0.00 0.00 36.38 30.54 1r4y s VAL 108 CO -0.01 -0.06 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.05 1r4y s ILE 109 N 2.56 3.57 0.02 7.04 1.09 -0.09 -1.47 121.20 133.92 1r4y s ILE 109 Ca 0.41 -0.43 -0.01 0.00 -1.10 0.00 0.00 60.65 59.53 1r4y s ILE 109 Cb -0.16 -2.63 -0.02 0.00 -1.06 0.00 0.00 42.46 38.59 1r4y s ILE 109 CO 0.11 0.41 -0.02 -0.72 -0.10 0.00 0.00 174.94 174.62 1r4y s TYR 110 N 1.46 0.26 0.59 3.97 -0.85 -0.97 -1.16 117.35 120.63 1r4y s TYR 110 Ca 0.05 -0.53 -0.09 0.00 -0.52 0.00 0.00 57.07 55.98 1r4y s TYR 110 Cb -0.14 -0.19 -0.03 0.00 0.38 0.00 0.00 41.96 41.97 1r4y s TYR 110 CO -0.02 -0.21 0.96 0.95 -1.52 0.00 0.00 175.55 175.72 1r4y s THR 111 N -1.58 4.62 0.18 -3.49 -4.23 -1.24 -2.08 115.64 107.82 1r4y s THR 111 Ca -0.15 0.62 0.06 0.00 -1.18 0.00 0.00 61.69 61.04 1r4y s THR 111 Cb -0.09 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 1r4y s THR 111 CO -0.01 -0.99 0.08 -0.47 -0.54 0.00 0.00 174.62 172.68 1r4y s TYR 112 N -3.06 3.00 -0.07 3.99 6.14 -1.20 -3.20 117.35 122.95 1r4y s TYR 112 Ca 0.53 -0.08 -0.25 0.00 0.64 0.00 0.00 57.07 57.90 1r4y s TYR 112 Cb -0.11 -1.43 -0.21 0.00 0.42 0.00 0.00 41.96 40.63 1r4y s TYR 112 CO 0.51 0.52 0.98 -1.00 0.64 0.00 0.00 175.55 177.20 1r4y h PRO 113 N 2.45 -0.05 -5.85 4.97 0.13 -1.84 -3.38 132.00 128.43 1r4y h PRO 113 Ca -0.47 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 1r4y h PRO 113 Cb 1.21 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1r4y h PRO 113 CO 0.61 0.59 1.45 -1.71 -0.23 0.00 0.00 178.00 178.71 1r4y n ASN 114 N -4.79 1.60 -4.55 1.44 5.15 -1.26 -4.75 115.26 108.10 1r4y n ASN 114 Ca -0.09 0.38 -0.19 0.00 -0.60 0.00 0.00 54.58 54.09 1r4y n ASN 114 Cb 0.33 -1.16 -0.10 0.00 -0.53 0.00 0.00 39.78 38.31 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 8.13 0.54 -1.87 1.20 5.02 -1.19 -4.34 118.16 125.64 1r4y n LYS 115 Ca 0.47 -1.92 -0.42 0.00 -2.02 0.00 0.00 58.31 54.42 1r4y n LYS 115 Cb 0.16 -3.86 0.00 0.00 -0.02 0.00 0.00 35.03 31.31 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 8.69 3.54 -1.17 -0.18 0.31 -1.20 -4.81 118.33 123.52 1r4y n VAL 116 Ca 0.42 -3.20 -0.51 0.00 -0.01 0.00 0.00 64.34 61.04 1r4y n VAL 116 Cb 0.47 -2.57 -0.09 0.00 -0.91 0.00 0.00 33.84 30.74 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 6.42 1.13 -0.08 3.52 -0.00 -1.26 -3.68 117.46 123.51 1r4y n PHE 117 Ca 0.51 0.75 -0.10 0.00 -0.00 0.00 0.00 57.45 58.61 1r4y n PHE 117 Cb 0.40 -1.82 -0.15 0.00 -0.00 0.00 0.00 39.48 37.90 1r4y n PHE 117 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1r4y n GLY 119 N 1.71 0.50 3.57 0.00 0.00 -1.22 -4.90 105.19 104.85 1r4y n GLY 119 Ca -0.29 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.17 3.52 0.19 -0.61 1.09 -1.26 -0.91 121.20 121.05 1r4y s ILE 120 Ca 0.00 -0.74 0.09 0.00 -1.10 0.00 0.00 60.65 58.91 1r4y s ILE 120 Cb 0.00 -2.49 -0.04 0.00 -1.06 0.00 0.00 42.46 38.87 1r4y s ILE 120 CO 0.00 0.46 -0.10 0.27 -0.10 0.00 0.00 174.94 175.47 1r4y s ILE 121 N -0.92 3.14 -0.23 2.92 -4.36 -0.91 0.50 121.20 121.33 1r4y s ILE 121 Ca 0.15 -1.74 -0.37 0.00 -0.26 0.00 0.00 60.65 58.44 1r4y s ILE 121 Cb -0.11 -2.57 0.15 0.00 1.25 0.00 0.00 42.46 41.18 1r4y s ILE 121 CO 0.05 -0.15 1.32 0.00 0.24 0.00 0.00 174.94 176.41 1r4y s ALA 122 N -1.80 -2.18 -0.83 2.27 0.00 0.26 -2.77 121.76 116.72 1r4y s ALA 122 Ca 0.25 1.70 -0.19 0.00 0.00 0.00 0.00 51.96 53.72 1r4y s ALA 122 Cb -0.08 -0.24 0.12 0.00 0.00 0.00 0.00 23.12 22.92 1r4y s ALA 122 CO 0.15 -0.61 1.02 -1.01 0.00 0.00 0.00 175.76 175.31 1r4y s HIS 123 N -2.18 3.06 -0.54 0.00 0.09 -1.25 -2.29 115.29 112.18 1r4y s HIS 123 Ca 0.11 -1.21 0.00 0.00 -0.00 0.00 0.00 55.06 53.96 1r4y s HIS 123 Cb -0.00 -4.22 0.48 0.00 -0.00 0.00 0.00 32.58 28.84 1r4y s HIS 123 CO -0.03 -1.46 1.97 -2.37 -0.00 0.00 0.00 174.74 172.84 1r4y n THR 124 N 5.48 3.32 -0.08 1.30 5.66 -1.26 -4.22 114.28 124.48 1r4y n THR 124 Ca 0.14 -2.37 -0.05 0.00 -3.05 0.00 0.00 64.05 58.71 1r4y n THR 124 Cb 0.47 -0.96 -0.16 0.00 -1.55 0.00 0.00 70.33 68.14 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 -0.80 0.74 0.09 1.09 3.00 -1.26 -5.00 118.16 116.01 1r4y n LYS 125 Ca 0.56 -0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 1r4y n LYS 125 Cb 0.97 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 34.49 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 -2.63 0.00 0.00 1.64 0.00 -1.26 -5.03 120.64 113.36 1r4y n GLU 126 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.90 1r4y n GLU 126 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.46 1r4y n GLU 126 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1r4y n ASN 127 N -2.89 0.00 -2.80 4.31 3.02 -1.26 -5.04 115.26 110.61 1r4y n ASN 127 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1r4y n ASN 127 Cb 0.00 0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.39 1r4y n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r4y n GLN 128 N -2.03 0.63 0.00 3.52 6.02 -1.26 -4.80 117.38 119.46 1r4y n GLN 128 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 57.00 54.99 1r4y n GLN 128 Cb 0.00 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1r4y n GLN 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r4y n GLY 129 N 2.34 1.17 3.89 1.08 0.00 -1.26 -5.11 105.19 107.29 1r4y n GLY 129 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 1.45 3.71 -0.13 1.61 2.02 -1.26 -4.98 118.70 121.12 1r4y s GLU 130 Ca 0.00 0.29 -0.08 0.00 0.02 0.00 0.00 54.97 55.20 1r4y s GLU 130 Cb 0.00 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 1r4y s GLU 130 CO 0.00 0.03 0.15 -1.17 0.02 0.00 0.00 175.26 174.28 1r4y s LEU 131 N -3.85 4.36 0.20 1.80 0.20 -1.26 -3.95 118.68 116.18 1r4y s LEU 131 Ca 0.48 0.44 -0.11 0.00 0.69 0.00 0.00 54.13 55.63 1r4y s LEU 131 Cb -0.10 -2.09 -0.00 0.00 -0.43 0.00 0.00 46.19 43.57 1r4y s LEU 131 CO 0.32 0.37 0.39 -1.59 -0.29 0.00 0.00 176.35 175.55 1r4y s LYS 132 N -0.78 1.34 0.32 1.98 -2.85 -0.97 -4.92 119.74 113.86 1r4y s LYS 132 Ca 0.14 -1.17 -0.18 0.00 -1.00 0.00 0.00 55.97 53.76 1r4y s LYS 132 Cb -0.12 0.43 -0.09 0.00 -2.06 0.00 0.00 37.83 35.99 1r4y s LYS 132 CO 0.03 -0.53 0.80 -1.17 0.10 0.00 0.00 175.35 174.58 1r4y s LEU 133 N -2.98 4.13 0.00 2.77 2.96 -1.26 -0.57 118.68 123.73 1r4y s LEU 133 Ca 0.19 1.46 -0.10 0.00 -0.22 0.00 0.00 54.13 55.45 1r4y s LEU 133 Cb 0.01 -4.05 0.16 0.00 0.50 0.00 0.00 46.19 42.81 1r4y s LEU 133 CO 0.03 -0.17 0.35 0.00 -1.32 0.00 0.00 176.35 175.25 1r4y s SER 135 N -2.37 3.73 0.00 0.00 0.01 -1.06 -4.93 113.70 109.06 1r4y s SER 135 Ca 0.27 -2.26 0.25 0.00 1.31 0.00 0.00 55.95 55.52 1r4y s SER 135 Cb -0.05 -0.93 0.35 0.00 0.21 0.00 0.00 66.02 65.60 1r4y s SER 135 CO 0.23 -0.32 1.35 0.00 0.41 0.00 0.00 173.24 174.91