#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 0.00 -0.30 0.00 0.11 -1.26 -5.10 120.40 113.85 1r4y s VAL 2 Ca 0.00 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 1r4y s VAL 2 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1r4y s VAL 2 CO 0.00 0.00 0.83 -0.89 -3.33 0.00 0.00 175.10 171.71 1r4y s THR 3 N 1.19 4.77 0.16 5.04 2.01 -1.26 -2.77 115.64 124.78 1r4y s THR 3 Ca -0.07 1.30 -0.24 0.00 0.31 0.00 0.00 61.69 62.99 1r4y s THR 3 Cb -0.04 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.22 1r4y s THR 3 CO -0.14 -0.25 0.74 0.26 -0.69 0.00 0.00 174.62 174.55 1r4y s TRP 4 N 3.01 3.85 -0.03 4.92 0.52 -0.61 -4.71 118.94 125.90 1r4y s TRP 4 Ca 0.34 1.55 0.01 0.00 0.02 0.00 0.00 56.10 58.02 1r4y s TRP 4 Cb -0.14 -2.71 0.02 0.00 -1.15 0.00 0.00 33.47 29.49 1r4y s TRP 4 CO 0.12 0.49 -0.03 0.99 0.02 0.00 0.00 176.95 178.54 1r4y s THR 5 N -1.21 0.37 -0.66 2.01 2.01 -1.25 0.91 115.64 117.82 1r4y s THR 5 Ca 0.36 -0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.33 1r4y s THR 5 Cb -0.22 -0.40 0.26 0.00 0.01 0.00 0.00 72.50 72.16 1r4y s THR 5 CO 0.24 0.16 0.80 0.00 -0.69 0.00 0.00 174.62 175.13 1r4y n GLY 7 N 0.79 0.05 0.00 0.00 0.00 -1.26 -4.47 105.19 100.31 1r4y n GLY 7 Ca 0.30 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.68 0.76 3.26 -0.02 0.00 -1.26 -4.95 105.19 103.66 1r4y n GLY 8 Ca -0.02 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 2.52 0.15 0.99 1.43 -1.26 -5.16 118.68 117.35 1r4y s LEU 9 Ca 0.00 -1.02 0.03 0.00 -1.03 0.00 0.00 54.13 52.11 1r4y s LEU 9 Cb 0.00 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 1r4y s LEU 9 CO 0.00 -0.32 0.22 -1.48 0.23 0.00 0.00 176.35 175.00 1r4y s LEU 10 N -3.18 4.13 -0.21 1.79 -0.00 -1.26 -2.90 118.68 117.04 1r4y s LEU 10 Ca 0.18 0.06 -0.03 0.00 -0.00 0.00 0.00 54.13 54.33 1r4y s LEU 10 Cb 0.02 -2.71 0.06 0.00 -0.00 0.00 0.00 46.19 43.56 1r4y s LEU 10 CO 0.01 0.06 0.04 -0.31 -0.00 0.00 0.00 176.35 176.16 1r4y s TYR 11 N -1.73 1.05 -0.07 3.48 1.51 0.26 -4.04 117.35 117.81 1r4y s TYR 11 Ca 0.33 -0.93 -0.33 0.00 -1.01 0.00 0.00 57.07 55.13 1r4y s TYR 11 Cb -0.11 -1.07 -0.11 0.00 -0.11 0.00 0.00 41.96 40.56 1r4y s TYR 11 CO 0.26 -0.64 1.90 -1.71 -1.11 0.00 0.00 175.55 174.25 1r4y n ASN 12 N 5.04 3.57 -0.30 2.29 5.15 -1.26 -1.57 115.26 128.18 1r4y n ASN 12 Ca -0.08 0.96 0.04 0.00 -0.60 0.00 0.00 54.58 54.90 1r4y n ASN 12 Cb 0.47 -1.40 0.18 0.00 -0.53 0.00 0.00 39.78 38.50 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 9.41 0.79 -0.58 1.20 5.75 -1.88 0.31 115.11 130.10 1r4y h GLN 13 Ca -0.49 -0.05 0.17 0.00 -0.15 0.00 0.00 58.65 58.14 1r4y h GLN 13 Cb 1.27 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.62 1r4y h GLN 13 CO 0.95 0.52 0.61 -0.97 -2.65 0.00 0.00 178.83 177.29 1r4y h ASN 14 N 0.81 0.00 0.12 -0.69 -1.24 -1.89 0.39 115.58 113.09 1r4y h ASN 14 Ca 0.42 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 57.07 1r4y h ASN 14 Cb 0.41 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.40 1r4y h ASN 14 CO -0.26 0.00 -2.21 0.29 -1.29 0.00 0.00 177.43 173.96 1r4y n LYS 15 N -3.68 0.68 -0.35 6.67 5.02 0.60 -2.65 118.16 124.45 1r4y n LYS 15 Ca 0.12 0.14 0.07 0.00 -2.02 0.00 0.00 58.31 56.62 1r4y n LYS 15 Cb 0.83 -1.61 0.25 0.00 -0.02 0.00 0.00 35.03 34.48 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 0.59 1.55 0.09 7.82 0.00 0.31 0.82 119.26 130.43 1r4y h ALA 16 Ca -0.48 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.17 1r4y h ALA 16 Cb 2.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1r4y h ALA 16 CO 0.02 0.22 -1.44 1.05 0.00 0.00 0.00 179.25 179.10 1r4y h GLU 17 N 0.98 0.19 0.42 0.00 4.11 -1.23 -3.29 114.58 115.76 1r4y h GLU 17 Ca 0.48 -0.32 -0.02 0.00 0.07 0.00 0.00 59.36 59.56 1r4y h GLU 17 Cb 0.46 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1r4y h GLU 17 CO -0.24 1.15 -0.20 1.03 0.07 0.00 0.00 179.01 180.82 1r4y h SER 18 N -0.40 -0.48 -1.46 3.06 0.87 -1.26 0.51 113.55 114.38 1r4y h SER 18 Ca -0.33 -0.09 0.43 0.00 -1.23 0.00 0.00 61.79 60.57 1r4y h SER 18 Cb 1.69 0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 63.71 1r4y h SER 18 CO 0.01 -0.06 1.04 -1.13 -0.53 0.00 0.00 176.83 176.15 1r4y h ASN 19 N -1.03 0.05 0.62 6.23 -0.73 0.46 0.28 115.58 121.46 1r4y h ASN 19 Ca -0.06 0.02 -0.28 0.00 1.87 0.00 0.00 56.30 57.85 1r4y h ASN 19 Cb 0.54 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.13 1r4y h ASN 19 CO 0.10 -0.01 -1.39 0.77 -0.37 0.00 0.00 177.43 176.52 1r4y h SER 20 N 0.03 0.24 -1.07 1.15 4.64 -1.52 -3.33 113.55 113.68 1r4y h SER 20 Ca 0.72 -0.31 0.29 0.00 -0.47 0.00 0.00 61.79 62.02 1r4y h SER 20 Cb 2.77 -0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 64.68 1r4y h SER 20 CO -0.07 1.26 0.68 0.45 -0.87 0.00 0.00 176.83 178.29 1r4y h HIS 21 N 0.04 0.68 -0.07 4.77 3.86 0.38 0.20 115.15 125.01 1r4y h HIS 21 Ca -0.18 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 1r4y h HIS 21 Cb 1.95 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 30.22 1r4y h HIS 21 CO 0.04 0.01 -0.09 0.45 0.86 0.00 0.00 177.93 179.20 1r4y h HIS 22 N 0.36 0.23 -0.98 2.45 3.86 -1.66 -3.45 115.15 115.96 1r4y h HIS 22 Ca 0.63 -0.07 -0.80 0.00 -1.16 0.00 0.00 60.37 58.97 1r4y h HIS 22 Cb 1.63 -0.05 0.04 0.00 1.06 0.00 0.00 27.41 30.09 1r4y h HIS 22 CO -0.00 0.65 0.23 0.00 0.86 0.00 0.00 177.93 179.66 1r4y n ALA 23 N -2.39 -2.97 -2.32 2.45 0.00 0.72 -4.84 120.51 111.15 1r4y n ALA 23 Ca -0.07 0.56 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 1r4y n ALA 23 Cb 0.32 -1.77 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 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 0.82 4.30 -0.67 0.00 0.04 -1.26 -4.90 135.00 133.33 1r4y s PRO 24 Ca 0.93 1.83 -0.26 0.00 0.04 0.00 0.00 61.00 63.55 1r4y s PRO 24 Cb -1.31 -3.59 -0.10 0.00 0.04 0.00 0.00 34.50 29.54 1r4y s PRO 24 CO 0.63 -0.54 2.38 -1.17 0.04 0.00 0.00 177.00 178.34 1r4y s LEU 25 N 2.45 3.10 0.00 -3.56 2.96 -1.26 -4.60 118.68 117.77 1r4y s LEU 25 Ca 0.60 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.96 1r4y s LEU 25 Cb -0.28 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 43.88 1r4y s LEU 25 CO 0.24 -3.40 0.00 -1.20 -1.32 0.00 0.00 176.35 170.66 1r4y n SER 26 N 17.26 0.00 -4.54 3.68 7.64 -1.26 -5.01 113.62 131.39 1r4y n SER 26 Ca 0.42 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.90 1r4y n SER 26 Cb 0.48 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.58 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 6.06 -0.70 6.43 2.15 -1.26 -4.08 116.67 125.27 1r4y s ASP 27 Ca 0.00 -0.34 -0.07 0.00 0.43 0.00 0.00 52.55 52.57 1r4y s ASP 27 Cb 0.00 -2.14 0.01 0.00 -0.30 0.00 0.00 42.92 40.49 1r4y s ASP 27 CO 0.00 -0.21 0.65 0.61 -0.17 0.00 0.00 175.17 176.05 1r4y n GLY 28 N 5.09 -1.11 0.68 2.66 0.00 -0.08 -4.72 105.19 107.70 1r4y n GLY 28 Ca -0.13 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.71 0.00 -4.41 1.61 4.76 -1.23 -5.05 118.16 112.13 1r4y n LYS 29 Ca -0.11 -0.94 -0.24 0.00 -2.87 0.00 0.00 58.31 54.14 1r4y n LYS 29 Cb 0.59 -0.27 -0.11 0.00 -1.84 0.00 0.00 35.03 33.40 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1r4y s THR 30 N 0.00 2.20 0.22 -0.18 -4.23 -1.26 -5.04 115.64 107.35 1r4y s THR 30 Ca 0.05 -2.14 -0.15 0.00 -1.18 0.00 0.00 61.69 58.27 1r4y s THR 30 Cb 0.06 -2.10 0.26 0.00 1.34 0.00 0.00 72.50 72.06 1r4y s THR 30 CO -0.03 -0.30 1.58 1.23 -0.54 0.00 0.00 174.62 176.57 1r4y h GLY 31 N 2.87 0.28 0.00 3.99 0.00 -1.25 -3.06 103.07 105.90 1r4y h GLY 31 Ca -0.43 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1r4y h GLY 31 CO 0.54 -0.26 0.00 -1.26 0.00 0.00 0.00 176.54 175.56 1r4y n SER 32 N -5.49 0.00 0.02 0.19 2.88 -0.14 -3.84 113.62 107.24 1r4y n SER 32 Ca 0.09 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1r4y n SER 32 Cb 0.39 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 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 -0.58 -0.32 -4.75 -3.46 3.41 -1.16 -4.99 113.62 101.78 1r4y n SER 33 Ca 0.00 0.49 -0.37 0.00 -0.26 0.00 0.00 58.87 58.73 1r4y n SER 33 Cb 0.00 0.72 0.04 0.00 -0.26 0.00 0.00 64.21 64.71 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 -2.00 2.34 0.91 7.33 1.51 -1.26 -3.42 117.35 122.75 1r4y s TYR 34 Ca 0.00 1.48 -0.12 0.00 -1.01 0.00 0.00 57.07 57.42 1r4y s TYR 34 Cb 0.00 -3.59 0.14 0.00 -0.11 0.00 0.00 41.96 38.40 1r4y s TYR 34 CO 0.00 -2.46 1.13 -1.25 -1.11 0.00 0.00 175.55 171.87 1r4y s PRO 35 N -3.20 1.17 0.20 -1.71 0.04 -1.26 -4.64 135.00 125.60 1r4y s PRO 35 Ca 0.76 0.31 -0.04 0.00 0.04 0.00 0.00 61.00 62.08 1r4y s PRO 35 Cb -0.34 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1r4y s PRO 35 CO 0.38 -2.18 0.19 -3.38 0.04 0.00 0.00 177.00 172.05 1r4y s HIS 36 N -3.27 0.94 0.07 0.56 -3.43 -1.17 -0.91 115.29 108.09 1r4y s HIS 36 Ca 0.64 -1.21 -0.31 0.00 -0.80 0.00 0.00 55.06 53.37 1r4y s HIS 36 Cb -0.15 -0.39 -0.06 0.00 -1.43 0.00 0.00 32.58 30.55 1r4y s HIS 36 CO 0.53 -0.69 1.30 -0.46 -2.00 0.00 0.00 174.74 173.42 1r4y s TRP 37 N -4.11 3.27 -1.05 0.38 -0.00 -1.26 -2.20 118.94 113.98 1r4y s TRP 37 Ca 0.33 1.09 -0.11 0.00 -0.00 0.00 0.00 56.10 57.42 1r4y s TRP 37 Cb 0.05 -3.56 0.26 0.00 -0.00 0.00 0.00 33.47 30.22 1r4y s TRP 37 CO 0.10 -1.89 1.04 0.12 -0.00 0.00 0.00 176.95 176.32 1r4y s PHE 38 N 1.29 4.11 0.48 5.86 5.36 0.17 -4.81 117.98 130.44 1r4y s PHE 38 Ca 0.62 -2.49 0.39 0.00 -0.96 0.00 0.00 56.93 54.50 1r4y s PHE 38 Cb -0.33 -3.86 1.57 0.00 -0.34 0.00 0.00 43.02 40.07 1r4y s PHE 38 CO 0.29 -0.98 1.53 0.25 -1.46 0.00 0.00 175.22 174.85 1r4y n THR 39 N 3.12 -0.14 -1.49 0.12 -2.24 -1.26 -4.41 114.28 107.97 1r4y n THR 39 Ca 0.22 1.64 -0.16 0.00 -2.27 0.00 0.00 64.05 63.48 1r4y n THR 39 Cb 0.41 -2.71 -0.07 0.00 -2.10 0.00 0.00 70.33 65.86 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 -4.35 -4.33 0.00 3.42 5.15 -1.26 -0.00 115.26 113.89 1r4y n ASN 40 Ca 0.41 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.80 1r4y n ASN 40 Cb 1.73 -3.92 0.00 0.00 -0.53 0.00 0.00 39.78 37.06 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 -0.31 3.14 3.37 8.20 0.00 -1.26 -4.19 105.19 114.14 1r4y n GLY 41 Ca -0.16 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.64 0.11 1.61 4.01 0.99 -4.35 117.16 117.89 1r4y n TYR 42 Ca 0.00 0.41 -0.21 0.00 -0.16 0.00 0.00 57.90 57.95 1r4y n TYR 42 Cb 0.00 -1.84 -0.15 0.00 -0.31 0.00 0.00 39.34 37.04 1r4y n TYR 42 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1r4y h ASP 43 N 0.02 0.62 0.00 7.72 3.32 -1.77 -3.45 116.42 122.88 1r4y h ASP 43 Ca -0.44 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 55.90 1r4y h ASP 43 Cb 1.40 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1r4y h ASP 43 CO 0.44 1.57 0.00 0.61 -1.72 0.00 0.00 179.24 180.14 1r4y n GLY 44 N 1.67 -1.97 0.71 2.75 0.00 -1.26 -5.07 105.19 102.02 1r4y n GLY 44 Ca -0.15 0.58 -0.02 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.22 1.01 -3.01 1.61 9.92 -1.26 -3.29 116.55 120.31 1r4y n ASP 45 Ca 0.00 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1r4y n ASP 45 Cb 0.00 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 1r4y n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r4y n GLY 46 N 2.81 -3.09 0.00 0.44 0.00 -1.26 -3.75 105.19 100.33 1r4y n GLY 46 Ca -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.64 -1.76 -2.65 1.61 5.02 -1.26 -4.47 118.16 113.01 1r4y n LYS 47 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1r4y n LYS 47 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.10 1r4y n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r4y s LEU 48 N 0.00 3.04 0.73 -0.35 1.02 -1.26 -3.15 118.68 118.71 1r4y s LEU 48 Ca 0.00 -0.37 -0.12 0.00 0.02 0.00 0.00 54.13 53.66 1r4y s LEU 48 Cb 0.00 -2.08 0.03 0.00 0.02 0.00 0.00 46.19 44.17 1r4y s LEU 48 CO 0.00 -1.68 1.09 -2.16 0.02 0.00 0.00 176.35 173.62 1r4y s PRO 49 N -5.02 2.51 -0.63 1.29 0.04 -1.26 -4.84 135.00 127.09 1r4y s PRO 49 Ca 0.64 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.60 1r4y s PRO 49 Cb -0.06 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 1r4y s PRO 49 CO 0.43 -1.45 2.16 0.21 0.04 0.00 0.00 177.00 178.39 1r4y s LYS 50 N -4.74 2.26 0.00 4.56 2.20 -1.26 -2.51 119.74 120.24 1r4y s LYS 50 Ca 0.62 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 1r4y s LYS 50 Cb -0.17 -4.61 0.00 0.00 -1.51 0.00 0.00 37.83 31.54 1r4y s LYS 50 CO 0.52 -3.29 0.00 0.41 -0.36 0.00 0.00 175.35 172.64 1r4y n GLY 51 N 6.13 1.00 3.43 5.54 0.00 -1.26 -5.16 105.19 114.87 1r4y n GLY 51 Ca 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 1.56 -0.31 1.61 6.06 -1.05 -5.13 118.95 121.70 1r4y s ARG 52 Ca 0.00 -1.70 -0.02 0.00 -2.50 0.00 0.00 55.73 51.51 1r4y s ARG 52 Cb 0.00 -1.57 0.10 0.00 0.06 0.00 0.00 34.95 33.55 1r4y s ARG 52 CO 0.00 0.29 0.13 0.99 -2.50 0.00 0.00 175.30 174.20 1r4y s THR 53 N -2.62 0.42 1.17 4.11 2.01 -1.26 -5.02 115.64 114.45 1r4y s THR 53 Ca 0.27 -1.18 -0.19 0.00 0.31 0.00 0.00 61.69 60.90 1r4y s THR 53 Cb -0.04 -1.33 0.28 0.00 0.01 0.00 0.00 72.50 71.42 1r4y s THR 53 CO 0.12 -0.73 1.17 -2.16 -0.69 0.00 0.00 174.62 172.33 1r4y s PRO 54 N 1.75 -1.01 -0.08 4.92 0.04 -1.26 -4.85 135.00 134.51 1r4y s PRO 54 Ca 0.10 -0.25 -0.01 0.00 0.04 0.00 0.00 61.00 60.88 1r4y s PRO 54 Cb -0.17 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1r4y s PRO 54 CO -0.28 -3.54 -0.00 0.42 0.04 0.00 0.00 177.00 173.65 1r4y s ILE 55 N -3.25 4.27 0.07 0.56 1.01 -1.26 -5.06 121.20 117.54 1r4y s ILE 55 Ca 0.73 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 61.02 1r4y s ILE 55 Cb -0.07 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1r4y s ILE 55 CO 0.55 0.58 0.34 -0.75 0.00 0.00 0.00 174.94 175.67 1r4y s LYS 56 N -0.95 3.65 0.00 2.79 2.47 -1.26 -4.95 119.74 121.49 1r4y s LYS 56 Ca 0.14 -0.00 0.00 0.00 -1.56 0.00 0.00 55.97 54.54 1r4y s LYS 56 Cb -0.11 -2.99 0.00 0.00 -1.46 0.00 0.00 37.83 33.27 1r4y s LYS 56 CO 0.03 0.57 0.00 1.19 0.16 0.00 0.00 175.35 177.30 1r4y n PHE 57 N 0.73 -0.02 0.00 4.03 3.72 -1.26 -4.91 117.46 119.75 1r4y n PHE 57 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1r4y n PHE 57 Cb 0.52 0.22 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 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 2.36 1.05 3.77 1.37 0.00 -1.26 -5.09 105.19 107.39 1r4y n GLY 58 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.14 4.01 0.00 1.61 -0.14 -1.26 -4.97 119.74 118.86 1r4y s LYS 59 Ca 0.00 -0.02 0.14 0.00 -1.36 0.00 0.00 55.97 54.73 1r4y s LYS 59 Cb 0.00 -3.35 0.71 0.00 -1.68 0.00 0.00 37.83 33.51 1r4y s LYS 59 CO 0.00 0.43 1.39 0.45 -0.76 0.00 0.00 175.35 176.86 1r4y n SER 60 N 3.02 0.00 -0.08 2.83 2.88 -1.26 -0.98 113.62 120.02 1r4y n SER 60 Ca -0.15 0.12 -0.09 0.00 -1.33 0.00 0.00 58.87 57.42 1r4y n SER 60 Cb 0.53 -0.30 -0.04 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.63 -3.46 5.19 -1.93 -2.90 116.42 113.95 1r4y h ASP 61 Ca 0.00 -0.15 -0.06 0.00 -0.62 0.00 0.00 57.03 56.21 1r4y h ASP 61 Cb 0.14 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1r4y h ASP 61 CO 0.00 0.95 -0.26 0.00 -3.12 0.00 0.00 179.24 176.80 1r4y h ASP 63 N 0.00 0.84 -3.73 0.00 3.58 -1.23 -3.46 116.42 112.43 1r4y h ASP 63 Ca -0.00 -0.43 -0.53 0.00 0.42 0.00 0.00 57.03 56.48 1r4y h ASP 63 Cb 0.65 -0.24 0.20 0.00 1.72 0.00 0.00 39.33 41.66 1r4y h ASP 63 CO 0.03 1.20 -0.18 -2.11 -2.88 0.00 0.00 179.24 175.30 1r4y n ARG 64 N -4.00 -0.14 -2.30 0.28 1.85 -0.96 -4.94 116.66 106.44 1r4y n ARG 64 Ca -0.03 0.02 -0.40 0.00 -1.00 0.00 0.00 57.85 56.43 1r4y n ARG 64 Cb 0.60 -2.09 -0.03 0.00 -1.05 0.00 0.00 32.46 29.89 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 -3.82 4.41 1.03 2.89 0.04 -1.26 -4.98 135.00 133.31 1r4y s PRO 65 Ca 0.64 1.96 -0.14 0.00 0.04 0.00 0.00 61.00 63.50 1r4y s PRO 65 Cb -0.25 -3.04 0.20 0.00 0.04 0.00 0.00 34.50 31.45 1r4y s PRO 65 CO 0.60 -0.04 1.12 -1.25 0.04 0.00 0.00 177.00 177.47 1r4y s PRO 66 N -1.75 0.19 -0.39 0.56 0.04 -1.25 -4.90 135.00 127.50 1r4y s PRO 66 Ca 0.49 0.25 0.12 0.00 0.04 0.00 0.00 61.00 61.90 1r4y s PRO 66 Cb -0.35 -1.73 0.40 0.00 0.04 0.00 0.00 34.50 32.86 1r4y s PRO 66 CO 0.45 -2.83 0.90 1.63 0.04 0.00 0.00 177.00 177.19 1r4y n LYS 67 N -4.20 1.73 -2.09 4.56 4.76 -1.26 -4.39 118.16 117.27 1r4y n LYS 67 Ca 0.08 -3.71 -0.32 0.00 -2.87 0.00 0.00 58.31 51.49 1r4y n LYS 67 Cb 0.59 -1.69 -0.00 0.00 -1.84 0.00 0.00 35.03 32.08 1r4y n LYS 67 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1r4y s HIS 68 N -3.01 3.33 0.00 2.13 5.65 -1.21 -4.26 115.29 117.93 1r4y s HIS 68 Ca 0.38 1.43 0.00 0.00 0.25 0.00 0.00 55.06 57.12 1r4y s HIS 68 Cb 0.39 -2.84 0.00 0.00 -1.18 0.00 0.00 32.58 28.95 1r4y s HIS 68 CO -0.06 -0.73 0.00 0.45 -0.65 0.00 0.00 174.74 173.75 1r4y n SER 69 N -2.15 0.00 -3.97 9.88 2.88 -1.26 -4.51 113.62 114.49 1r4y n SER 69 Ca 0.07 -0.60 -0.42 0.00 -1.33 0.00 0.00 58.87 56.58 1r4y n SER 69 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1r4y n SER 69 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1r4y n LYS 70 N 0.00 3.18 0.00 -1.46 5.02 -1.26 -3.60 118.16 120.04 1r4y n LYS 70 Ca 0.00 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 1r4y n LYS 70 Cb 0.00 -3.19 0.00 0.00 -0.02 0.00 0.00 35.03 31.82 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 5.77 0.00 0.00 4.39 9.92 -1.26 -5.03 116.55 130.34 1r4y n ASP 71 Ca 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 1r4y n ASP 71 Cb 0.40 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 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 -0.63 3.38 2.64 0.44 0.00 -1.24 -4.71 105.19 105.07 1r4y n GLY 72 Ca 0.00 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 1r4y n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r4y s ASN 73 N 0.00 0.80 0.00 1.61 3.04 -1.26 -4.59 114.94 114.54 1r4y s ASN 73 Ca 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 52.86 50.81 1r4y s ASN 73 Cb 0.00 0.48 0.00 0.00 -1.54 0.00 0.00 41.25 40.19 1r4y s ASN 73 CO 0.00 -0.19 0.00 0.61 -3.04 0.00 0.00 177.10 174.48 1r4y n GLY 74 N 3.56 -0.95 0.00 1.21 0.00 -1.26 -4.87 105.19 102.87 1r4y n GLY 74 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.13 1.61 5.02 -1.26 -4.52 118.16 118.87 1r4y n LYS 75 Ca 0.00 0.04 0.07 0.00 -2.02 0.00 0.00 58.31 56.40 1r4y n LYS 75 Cb 0.00 -0.61 0.10 0.00 -0.02 0.00 0.00 35.03 34.50 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 -0.15 1.49 -0.83 -0.18 5.66 -1.26 -5.06 114.28 113.94 1r4y n THR 76 Ca 0.00 -1.77 -0.31 0.00 -3.05 0.00 0.00 64.05 58.92 1r4y n THR 76 Cb 0.00 -0.04 -0.08 0.00 -1.55 0.00 0.00 70.33 68.66 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 -1.11 0.32 -1.01 1.09 9.92 -1.26 -4.70 116.55 119.80 1r4y n ASP 77 Ca 0.12 0.27 0.03 0.00 -0.53 0.00 0.00 54.79 54.68 1r4y n ASP 77 Cb 0.62 -0.55 0.17 0.00 -0.64 0.00 0.00 41.12 40.71 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 5.45 0.82 -1.45 1.24 1.44 -1.26 -4.67 115.22 116.78 1r4y n HIS 78 Ca 0.37 -0.29 -0.53 0.00 -2.01 0.00 0.00 57.72 55.25 1r4y n HIS 78 Cb -0.00 -0.23 -0.05 0.00 0.12 0.00 0.00 29.99 29.82 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 0.29 0.07 -2.05 -1.40 4.11 -1.26 -2.71 117.16 114.21 1r4y n TYR 79 Ca 0.12 1.01 -0.32 0.00 -0.00 0.00 0.00 57.90 58.70 1r4y n TYR 79 Cb 0.59 -2.03 0.01 0.00 -0.00 0.00 0.00 39.34 37.91 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 1.56 3.47 0.02 -3.48 1.43 -1.26 -2.84 118.68 117.58 1r4y s LEU 80 Ca 0.77 1.74 -0.01 0.00 -1.03 0.00 0.00 54.13 55.60 1r4y s LEU 80 Cb -1.09 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 40.59 1r4y s LEU 80 CO 0.56 -1.09 -0.01 -0.76 0.23 0.00 0.00 176.35 175.29 1r4y s LEU 81 N -4.56 2.15 0.23 1.79 1.02 -0.56 0.44 118.68 119.19 1r4y s LEU 81 Ca 0.62 -0.48 0.10 0.00 0.02 0.00 0.00 54.13 54.39 1r4y s LEU 81 Cb -0.15 0.19 -0.04 0.00 0.02 0.00 0.00 46.19 46.21 1r4y s LEU 81 CO 0.38 -0.33 -0.10 -1.83 0.02 0.00 0.00 176.35 174.50 1r4y s GLU 82 N -1.57 2.00 -0.01 1.70 1.03 -0.93 -2.56 118.70 118.35 1r4y s GLU 82 Ca -0.15 -1.46 0.00 0.00 0.03 0.00 0.00 54.97 53.40 1r4y s GLU 82 Cb -0.09 -2.04 0.02 0.00 -0.80 0.00 0.00 34.13 31.22 1r4y s GLU 82 CO -0.01 0.38 0.02 0.12 -1.33 0.00 0.00 175.26 174.44 1r4y s PHE 83 N -2.09 0.02 -0.97 4.83 5.36 -0.94 -3.03 117.98 121.16 1r4y s PHE 83 Ca 0.28 0.08 -0.24 0.00 -0.96 0.00 0.00 56.93 56.09 1r4y s PHE 83 Cb -0.07 -0.15 -0.05 0.00 -0.34 0.00 0.00 43.02 42.41 1r4y s PHE 83 CO 0.16 -0.06 1.93 -1.25 -1.46 0.00 0.00 175.22 174.55 1r4y s PRO 84 N 0.67 2.57 -0.05 10.12 0.04 -1.26 -1.93 135.00 145.16 1r4y s PRO 84 Ca -0.06 -0.52 -0.26 0.00 0.04 0.00 0.00 61.00 60.20 1r4y s PRO 84 Cb -0.08 -5.11 -0.03 0.00 0.04 0.00 0.00 34.50 29.32 1r4y s PRO 84 CO -0.02 -3.49 0.84 -0.08 0.04 0.00 0.00 177.00 174.29 1r4y s THR 85 N 10.16 4.95 0.17 1.26 -1.32 -1.16 -4.84 115.64 124.85 1r4y s THR 85 Ca 0.69 1.73 -0.02 0.00 -1.21 0.00 0.00 61.69 62.88 1r4y s THR 85 Cb -0.05 -4.17 -0.05 0.00 -1.51 0.00 0.00 72.50 66.72 1r4y s THR 85 CO 0.02 0.18 0.37 -0.36 -2.21 0.00 0.00 174.62 172.62 1r4y s PHE 86 N 1.10 3.48 -0.02 9.09 0.40 -1.26 -4.61 117.98 126.16 1r4y s PHE 86 Ca 0.44 0.42 -0.24 0.00 -0.60 0.00 0.00 56.93 56.95 1r4y s PHE 86 Cb -0.19 -1.91 -0.20 0.00 0.51 0.00 0.00 43.02 41.23 1r4y s PHE 86 CO 0.21 0.42 1.16 -1.00 0.70 0.00 0.00 175.22 176.70 1r4y h PRO 87 N 2.42 0.19 -0.99 0.24 0.13 -1.96 -3.23 132.00 128.80 1r4y h PRO 87 Ca -0.47 -0.15 0.34 0.00 -0.87 0.00 0.00 66.00 64.86 1r4y h PRO 87 Cb 1.18 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1r4y h PRO 87 CO 0.71 0.79 0.47 -0.44 -0.23 0.00 0.00 178.00 179.30 1r4y h ASP 88 N -0.38 0.30 0.00 1.44 5.19 -1.96 -3.43 116.42 117.58 1r4y h ASP 88 Ca -0.01 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1r4y h ASP 88 Cb 0.81 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1r4y h ASP 88 CO 0.04 -0.27 0.00 0.61 -3.12 0.00 0.00 179.24 176.50 1r4y n GLY 89 N -1.31 0.85 3.84 2.75 0.00 -1.22 -5.08 105.19 105.02 1r4y n GLY 89 Ca 0.32 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.50 0.35 1.61 -3.43 -1.26 -5.05 115.29 109.01 1r4y s HIS 90 Ca 0.00 1.23 -0.28 0.00 -0.80 0.00 0.00 55.06 55.21 1r4y s HIS 90 Cb 0.00 -2.52 -0.11 0.00 -1.43 0.00 0.00 32.58 28.52 1r4y s HIS 90 CO 0.00 0.23 1.39 0.34 -2.00 0.00 0.00 174.74 174.71 1r4y s ASP 91 N -2.00 6.57 0.08 7.38 2.15 -1.26 -4.77 116.67 124.82 1r4y s ASP 91 Ca 0.48 2.85 -0.06 0.00 0.43 0.00 0.00 52.55 56.25 1r4y s ASP 91 Cb -0.13 -2.66 -0.05 0.00 -0.30 0.00 0.00 42.92 39.78 1r4y s ASP 91 CO 0.19 -0.70 0.33 -0.31 -0.17 0.00 0.00 175.17 174.52 1r4y s TYR 92 N -1.09 3.54 -1.41 -5.34 2.02 -1.26 -4.99 117.35 108.81 1r4y s TYR 92 Ca 0.51 0.60 -0.12 0.00 -0.37 0.00 0.00 57.07 57.69 1r4y s TYR 92 Cb -0.43 -2.02 0.07 0.00 -0.40 0.00 0.00 41.96 39.18 1r4y s TYR 92 CO 0.57 0.53 2.18 0.36 -1.57 0.00 0.00 175.55 177.61 1r4y n LYS 93 N 0.65 3.20 0.13 -0.62 2.85 -1.26 -4.55 118.16 118.55 1r4y n LYS 93 Ca -0.07 -2.88 0.05 0.00 -1.05 0.00 0.00 58.31 54.36 1r4y n LYS 93 Cb 0.52 -3.13 0.02 0.00 -0.65 0.00 0.00 35.03 31.80 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 5.81 0.00 0.00 5.58 -5.15 -1.94 -3.32 116.94 117.92 1r4y h PHE 94 Ca 0.54 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 58.20 1r4y h PHE 94 Cb 0.60 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.75 1r4y h PHE 94 CO 1.43 0.36 -1.36 -3.47 -2.00 0.00 0.00 178.31 173.26 1r4y n ASP 95 N -3.06 0.77 -4.55 -0.68 -0.08 -1.26 -0.96 116.55 106.73 1r4y n ASP 95 Ca -0.00 0.32 -0.43 0.00 -1.51 0.00 0.00 54.79 53.17 1r4y n ASP 95 Cb 0.70 0.41 -0.04 0.00 2.34 0.00 0.00 41.12 44.52 1r4y n ASP 95 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1r4y s SER 96 N -5.55 6.44 0.12 1.67 0.15 -1.25 -1.84 113.70 113.44 1r4y s SER 96 Ca -0.03 -0.06 -0.20 0.00 0.70 0.00 0.00 55.95 56.37 1r4y s SER 96 Cb 0.09 -2.43 -0.08 0.00 -1.71 0.00 0.00 66.02 61.89 1r4y s SER 96 CO 0.81 -1.07 1.77 0.07 1.20 0.00 0.00 173.24 176.03 1r4y h LYS 97 N 9.12 0.24 -3.57 5.44 2.10 -1.86 -3.28 116.57 124.75 1r4y h LYS 97 Ca -0.25 -0.01 -0.33 0.00 -2.00 0.00 0.00 60.65 58.06 1r4y h LYS 97 Cb 1.08 -0.05 -0.35 0.00 -0.90 0.00 0.00 32.23 32.01 1r4y h LYS 97 CO 1.03 0.16 -0.74 0.21 -2.00 0.00 0.00 179.45 178.11 1r4y s LYS 98 N -6.18 0.10 1.17 0.07 2.20 -1.26 -3.81 119.74 112.03 1r4y s LYS 98 Ca -0.13 0.17 -0.18 0.00 -0.36 0.00 0.00 55.97 55.47 1r4y s LYS 98 Cb 0.08 -0.39 0.27 0.00 -1.51 0.00 0.00 37.83 36.28 1r4y s LYS 98 CO 0.69 -0.18 1.11 -1.25 -0.36 0.00 0.00 175.35 175.36 1r4y s PRO 99 N 1.22 -0.93 -0.04 4.03 0.04 -1.26 -5.16 135.00 132.89 1r4y s PRO 99 Ca -0.07 0.04 -0.02 0.00 0.04 0.00 0.00 61.00 60.99 1r4y s PRO 99 Cb -0.13 -1.62 0.03 0.00 0.04 0.00 0.00 34.50 32.82 1r4y s PRO 99 CO -0.03 -3.54 0.07 0.21 0.04 0.00 0.00 177.00 173.76 1r4y s LYS 100 N -5.32 -0.04 0.52 4.56 2.20 -1.25 -4.77 119.74 115.64 1r4y s LYS 100 Ca 0.70 0.36 -0.05 0.00 -0.36 0.00 0.00 55.97 56.63 1r4y s LYS 100 Cb -0.11 -0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 35.79 1r4y s LYS 100 CO 0.56 -0.28 0.82 -2.00 -0.36 0.00 0.00 175.35 174.09 1r4y s GLU 101 N 1.89 3.25 0.75 4.03 2.56 -1.26 -5.05 118.70 124.86 1r4y s GLU 101 Ca 0.01 0.04 -0.16 0.00 0.00 0.00 0.00 54.97 54.86 1r4y s GLU 101 Cb -0.12 -2.36 -0.04 0.00 2.00 0.00 0.00 34.13 33.61 1r4y s GLU 101 CO -0.04 -0.40 0.45 -1.71 -0.56 0.00 0.00 175.26 173.00 1r4y n ASN 102 N -2.36 -1.55 0.00 -1.70 5.15 -1.26 -4.96 115.26 108.57 1r4y n ASN 102 Ca 0.02 0.55 0.00 0.00 -0.60 0.00 0.00 54.58 54.55 1r4y n ASN 102 Cb 0.56 -1.19 0.00 0.00 -0.53 0.00 0.00 39.78 38.63 1r4y n ASN 102 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r4y n PRO 103 N -0.64 0.00 0.00 1.20 -0.04 -1.26 -5.01 135.00 129.24 1r4y n PRO 103 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1r4y n PRO 103 Cb 0.50 -0.29 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 1r4y n PRO 103 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r4y n GLY 104 N 1.92 3.87 0.00 0.55 0.00 -1.26 -4.74 105.19 105.53 1r4y n GLY 104 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1r4y n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1r4y n PRO 105 N -1.56 0.00 -1.70 1.61 -0.04 -1.26 -4.88 135.00 127.16 1r4y n PRO 105 Ca 0.00 0.34 -0.36 0.00 -0.04 0.00 0.00 63.50 63.44 1r4y n PRO 105 Cb 0.00 -0.93 0.07 0.00 -0.04 0.00 0.00 33.50 32.60 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 -3.21 2.33 -0.13 0.55 0.00 -1.26 -4.64 121.76 115.39 1r4y s ALA 106 Ca 0.00 1.05 -0.17 0.00 0.00 0.00 0.00 51.96 52.84 1r4y s ALA 106 Cb 0.00 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.66 1r4y s ALA 106 CO 0.00 -1.59 0.45 1.03 0.00 0.00 0.00 175.76 175.65 1r4y s ARG 107 N -3.55 0.60 -0.14 0.00 0.52 -0.79 -3.00 118.95 112.59 1r4y s ARG 107 Ca 0.79 0.44 -0.27 0.00 -0.52 0.00 0.00 55.73 56.16 1r4y s ARG 107 Cb -0.33 0.29 -0.01 0.00 0.52 0.00 0.00 34.95 35.42 1r4y s ARG 107 CO 0.40 -0.11 0.92 0.54 0.02 0.00 0.00 175.30 177.07 1r4y s VAL 108 N -0.18 4.83 -0.06 3.52 0.11 -0.81 -2.07 120.40 125.73 1r4y s VAL 108 Ca -0.04 1.85 -0.02 0.00 -2.93 0.00 0.00 61.98 60.84 1r4y s VAL 108 Cb -0.03 -4.23 -0.04 0.00 -1.53 0.00 0.00 36.38 30.55 1r4y s VAL 108 CO 0.02 0.01 0.06 -0.63 -3.33 0.00 0.00 175.10 171.23 1r4y s ILE 109 N 2.08 4.70 -0.14 7.04 -1.09 -0.76 -2.22 121.20 130.81 1r4y s ILE 109 Ca 0.43 -0.22 -0.29 0.00 -2.23 0.00 0.00 60.65 58.34 1r4y s ILE 109 Cb -0.17 -3.05 0.09 0.00 -1.58 0.00 0.00 42.46 37.75 1r4y s ILE 109 CO 0.15 0.51 0.83 -0.72 -1.23 0.00 0.00 174.94 174.48 1r4y s TYR 110 N -1.03 -0.56 0.73 3.97 -0.85 -1.06 -0.34 117.35 118.21 1r4y s TYR 110 Ca 0.17 1.07 -0.08 0.00 -0.52 0.00 0.00 57.07 57.71 1r4y s TYR 110 Cb -0.12 0.40 0.06 0.00 0.38 0.00 0.00 41.96 42.69 1r4y s TYR 110 CO 0.07 -0.45 1.07 0.95 -1.52 0.00 0.00 175.55 175.66 1r4y s THR 111 N -0.82 2.25 0.17 -3.49 -4.23 -1.23 -1.50 115.64 106.80 1r4y s THR 111 Ca -0.05 -0.16 0.08 0.00 -1.18 0.00 0.00 61.69 60.37 1r4y s THR 111 Cb -0.01 -3.02 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 1r4y s THR 111 CO 0.04 -0.03 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.61 1r4y s TYR 112 N -3.35 2.81 -0.05 3.99 6.14 -1.10 -3.27 117.35 122.52 1r4y s TYR 112 Ca 0.60 -0.15 -0.17 0.00 0.64 0.00 0.00 57.07 58.00 1r4y s TYR 112 Cb -0.11 -1.36 -0.12 0.00 0.42 0.00 0.00 41.96 40.79 1r4y s TYR 112 CO 0.46 0.52 0.68 -1.00 0.64 0.00 0.00 175.55 176.85 1r4y h PRO 113 N 2.73 -0.29 -6.04 4.97 0.13 -1.84 -3.38 132.00 128.28 1r4y h PRO 113 Ca -0.47 0.02 -0.79 0.00 -0.87 0.00 0.00 66.00 63.89 1r4y h PRO 113 Cb 1.20 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1r4y h PRO 113 CO 0.57 0.02 0.98 0.09 -0.23 0.00 0.00 178.00 179.43 1r4y n ASN 114 N -4.97 1.59 -4.55 1.44 4.13 -1.26 -4.70 115.26 106.94 1r4y n ASN 114 Ca -0.07 0.95 -0.23 0.00 1.68 0.00 0.00 54.58 56.92 1r4y n ASN 114 Cb 0.22 -1.01 -0.09 0.00 -1.54 0.00 0.00 39.78 37.36 1r4y n ASN 114 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1r4y n LYS 115 N 5.71 0.92 -1.89 3.52 5.02 -1.22 -4.24 118.16 125.99 1r4y n LYS 115 Ca 0.36 -2.11 -0.37 0.00 -2.02 0.00 0.00 58.31 54.17 1r4y n LYS 115 Cb 0.04 -3.80 -0.04 0.00 -0.02 0.00 0.00 35.03 31.21 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 8.34 2.55 -1.26 -0.18 0.31 -1.20 -4.78 118.33 122.11 1r4y n VAL 116 Ca 0.43 -2.50 -0.43 0.00 -0.01 0.00 0.00 64.34 61.83 1r4y n VAL 116 Cb 0.47 -2.31 -0.12 0.00 -0.91 0.00 0.00 33.84 30.96 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 10.07 0.71 0.02 3.52 7.35 -1.26 -3.47 117.46 134.40 1r4y n PHE 117 Ca 0.48 0.48 -0.21 0.00 -0.76 0.00 0.00 57.45 57.44 1r4y n PHE 117 Cb 0.44 -2.10 -0.14 0.00 0.35 0.00 0.00 39.48 38.03 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 -0.32 3.14 0.00 0.00 -1.23 -4.87 105.19 103.60 1r4y n GLY 119 Ca -0.20 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 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 1.25 0.13 -0.61 -1.09 -1.26 -1.84 121.20 113.78 1r4y s ILE 120 Ca 0.00 -0.71 0.06 0.00 -2.23 0.00 0.00 60.65 57.77 1r4y s ILE 120 Cb 0.00 -1.05 -0.04 0.00 -1.58 0.00 0.00 42.46 39.79 1r4y s ILE 120 CO 0.00 0.33 -0.14 0.27 -1.23 0.00 0.00 174.94 174.17 1r4y s ILE 121 N -0.41 1.38 -0.22 2.92 -4.36 -0.88 0.77 121.20 120.40 1r4y s ILE 121 Ca 0.06 -1.77 -0.31 0.00 -0.26 0.00 0.00 60.65 58.36 1r4y s ILE 121 Cb -0.06 -1.60 0.16 0.00 1.25 0.00 0.00 42.46 42.21 1r4y s ILE 121 CO -0.00 -0.44 1.21 0.00 0.24 0.00 0.00 174.94 175.95 1r4y s ALA 122 N -2.24 -2.05 -0.85 2.27 0.00 0.22 -1.89 121.76 117.22 1r4y s ALA 122 Ca 0.10 1.71 -0.19 0.00 0.00 0.00 0.00 51.96 53.59 1r4y s ALA 122 Cb -0.04 -0.85 0.13 0.00 0.00 0.00 0.00 23.12 22.35 1r4y s ALA 122 CO 0.03 -0.37 1.04 -1.01 0.00 0.00 0.00 175.76 175.45 1r4y s HIS 123 N -1.50 3.09 -0.64 0.00 0.09 -1.26 -2.70 115.29 112.38 1r4y s HIS 123 Ca 0.06 -1.27 -0.02 0.00 -0.00 0.00 0.00 55.06 53.83 1r4y s HIS 123 Cb -0.01 -4.22 0.35 0.00 -0.00 0.00 0.00 32.58 28.70 1r4y s HIS 123 CO -0.04 -1.46 2.10 -2.37 -0.00 0.00 0.00 174.74 172.97 1r4y n THR 124 N 5.45 3.47 -0.06 1.30 5.66 -1.26 -4.22 114.28 124.62 1r4y n THR 124 Ca 0.16 -3.07 -0.03 0.00 -3.05 0.00 0.00 64.05 58.05 1r4y n THR 124 Cb 0.48 -1.25 -0.12 0.00 -1.55 0.00 0.00 70.33 67.89 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 -0.47 1.24 0.05 1.09 4.81 -1.26 -5.01 118.16 118.60 1r4y n LYS 125 Ca 0.54 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1r4y n LYS 125 Cb 0.53 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.19 1r4y n LYS 125 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1r4y n GLU 126 N -2.44 0.00 0.00 1.64 0.00 -1.26 -5.03 120.64 113.55 1r4y n GLU 126 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.97 1r4y n GLU 126 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.29 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 -2.53 0.00 -2.83 4.31 5.15 -1.26 -5.04 115.26 113.06 1r4y n ASN 127 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 1r4y n ASN 127 Cb 0.00 0.26 0.01 0.00 -0.53 0.00 0.00 39.78 39.52 1r4y n ASN 127 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r4y n GLN 128 N -2.26 0.60 0.00 1.20 6.02 -1.26 -4.80 117.38 116.88 1r4y n GLN 128 Ca 0.00 -2.09 0.00 0.00 -0.01 0.00 0.00 57.00 54.90 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 2.43 1.66 3.79 1.08 0.00 -1.26 -5.10 105.19 107.78 1r4y n GLY 129 Ca 0.16 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 1.62 4.53 -0.13 1.61 8.01 -1.26 -4.98 118.70 128.10 1r4y s GLU 130 Ca 0.00 1.21 -0.07 0.00 0.01 0.00 0.00 54.97 56.12 1r4y s GLU 130 Cb 0.00 -2.93 -0.04 0.00 -4.31 0.00 0.00 34.13 26.85 1r4y s GLU 130 CO 0.00 0.37 0.14 -1.17 0.01 0.00 0.00 175.26 174.61 1r4y s LEU 131 N -1.83 4.38 0.23 1.80 2.96 -1.26 -4.08 118.68 120.88 1r4y s LEU 131 Ca 0.46 0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 54.73 1r4y s LEU 131 Cb -0.19 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 1r4y s LEU 131 CO 0.24 0.39 0.36 -1.59 -1.32 0.00 0.00 176.35 174.44 1r4y s LYS 132 N -0.93 1.42 0.32 1.98 -2.85 -1.10 -4.93 119.74 113.66 1r4y s LYS 132 Ca 0.15 -1.36 -0.18 0.00 -1.00 0.00 0.00 55.97 53.57 1r4y s LYS 132 Cb -0.12 0.41 -0.09 0.00 -2.06 0.00 0.00 37.83 35.96 1r4y s LYS 132 CO 0.04 -0.56 0.79 -1.17 0.10 0.00 0.00 175.35 174.55 1r4y s LEU 133 N -3.06 4.13 0.00 2.77 2.96 -1.26 -0.61 118.68 123.61 1r4y s LEU 133 Ca 0.27 1.44 -0.10 0.00 -0.22 0.00 0.00 54.13 55.52 1r4y s LEU 133 Cb 0.02 -4.04 0.15 0.00 0.50 0.00 0.00 46.19 42.82 1r4y s LEU 133 CO 0.09 -0.16 0.48 0.00 -1.32 0.00 0.00 176.35 175.44 1r4y s SER 135 N -2.78 3.97 0.00 0.00 0.01 -1.00 -4.92 113.70 108.99 1r4y s SER 135 Ca 0.32 -2.18 0.24 0.00 1.31 0.00 0.00 55.95 55.64 1r4y s SER 135 Cb -0.04 -1.06 0.19 0.00 0.21 0.00 0.00 66.02 65.32 1r4y s SER 135 CO 0.25 -0.34 1.25 0.00 0.41 0.00 0.00 173.24 174.81