#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 4.74 -0.34 0.00 0.11 -1.26 -4.94 120.40 118.70 1r4y s VAL 2 Ca 0.00 -0.58 -0.22 0.00 -2.93 0.00 0.00 61.98 58.25 1r4y s VAL 2 Cb 0.00 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.60 1r4y s VAL 2 CO 0.00 0.20 0.70 -0.89 -3.33 0.00 0.00 175.10 171.78 1r4y s THR 3 N -1.34 4.84 0.30 5.04 2.01 -1.26 -3.02 115.64 122.20 1r4y s THR 3 Ca 0.28 0.81 -0.28 0.00 0.31 0.00 0.00 61.69 62.81 1r4y s THR 3 Cb -0.12 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.18 1r4y s THR 3 CO 0.20 -0.31 1.00 0.26 -0.69 0.00 0.00 174.62 175.08 1r4y s TRP 4 N 2.84 3.69 -0.01 4.92 0.52 -0.09 -4.57 118.94 126.24 1r4y s TRP 4 Ca 0.28 1.78 0.02 0.00 0.02 0.00 0.00 56.10 58.20 1r4y s TRP 4 Cb -0.14 -3.07 -0.00 0.00 -1.15 0.00 0.00 33.47 29.11 1r4y s TRP 4 CO 0.15 -0.05 -0.08 0.99 0.02 0.00 0.00 176.95 177.98 1r4y s THR 5 N -1.36 0.62 -0.38 2.01 2.01 -1.25 -0.65 115.64 116.64 1r4y s THR 5 Ca 0.47 -0.32 0.11 0.00 0.31 0.00 0.00 61.69 62.26 1r4y s THR 5 Cb -0.25 -0.54 0.44 0.00 0.01 0.00 0.00 72.50 72.16 1r4y s THR 5 CO 0.32 0.18 1.03 0.00 -0.69 0.00 0.00 174.62 175.46 1r4y n GLY 7 N -0.28 0.55 0.00 0.00 0.00 -1.26 -4.78 105.19 99.42 1r4y n GLY 7 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 3.50 -0.02 0.00 -1.26 -5.05 105.19 102.32 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 -0.29 2.90 0.34 0.99 1.43 -1.26 -5.12 118.68 117.66 1r4y s LEU 9 Ca 0.00 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1r4y s LEU 9 Cb 0.00 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 1r4y s LEU 9 CO 0.00 0.33 0.52 -0.76 0.23 0.00 0.00 176.35 176.67 1r4y s LEU 10 N -0.63 4.03 -0.34 1.79 1.02 -1.26 -3.62 118.68 119.66 1r4y s LEU 10 Ca 0.09 0.32 0.04 0.00 0.02 0.00 0.00 54.13 54.60 1r4y s LEU 10 Cb -0.11 -3.18 0.16 0.00 0.02 0.00 0.00 46.19 43.08 1r4y s LEU 10 CO 0.01 -0.31 0.44 -0.31 0.02 0.00 0.00 176.35 176.21 1r4y s TYR 11 N -2.27 -0.92 -0.05 0.29 2.02 0.17 -4.13 117.35 112.46 1r4y s TYR 11 Ca 0.40 -0.07 -0.33 0.00 -0.37 0.00 0.00 57.07 56.70 1r4y s TYR 11 Cb -0.10 -0.15 -0.11 0.00 -0.40 0.00 0.00 41.96 41.21 1r4y s TYR 11 CO 0.35 -1.02 1.89 -1.71 -1.57 0.00 0.00 175.55 173.49 1r4y n ASN 12 N 4.80 3.61 -0.29 2.29 4.05 -1.26 -0.92 115.26 127.55 1r4y n ASN 12 Ca 0.06 0.96 0.09 0.00 0.45 0.00 0.00 54.58 56.15 1r4y n ASN 12 Cb 0.49 -1.41 0.25 0.00 1.23 0.00 0.00 39.78 40.34 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 9.37 0.45 -0.65 1.20 5.75 -1.90 0.22 115.11 129.55 1r4y h GLN 13 Ca -0.49 -0.03 0.14 0.00 -0.15 0.00 0.00 58.65 58.12 1r4y h GLN 13 Cb 1.26 -0.10 -0.12 0.00 1.07 0.00 0.00 27.48 29.60 1r4y h GLN 13 CO 0.94 0.30 -0.06 -0.97 -2.65 0.00 0.00 178.83 176.39 1r4y h ASN 14 N 0.47 -0.42 -0.37 -0.69 -0.73 -1.88 0.33 115.58 112.29 1r4y h ASN 14 Ca 0.49 0.18 -0.11 0.00 1.87 0.00 0.00 56.30 58.72 1r4y h ASN 14 Cb 0.82 0.33 -0.02 0.00 0.27 0.00 0.00 38.32 39.73 1r4y h ASN 14 CO -0.45 -0.17 -0.17 0.11 -0.37 0.00 0.00 177.43 176.38 1r4y h LYS 15 N 0.06 0.85 -0.81 6.67 1.57 -1.05 0.66 116.57 124.52 1r4y h LYS 15 Ca 0.33 -0.32 0.17 0.00 -1.87 0.00 0.00 60.65 58.96 1r4y h LYS 15 Cb 0.54 -0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.69 1r4y h LYS 15 CO -0.60 0.95 0.32 0.00 -0.57 0.00 0.00 179.45 179.55 1r4y h ALA 16 N 1.06 1.18 0.15 3.86 0.00 0.19 0.66 119.26 126.36 1r4y h ALA 16 Ca 0.11 0.14 -0.36 0.00 0.00 0.00 0.00 54.91 54.80 1r4y h ALA 16 Cb 0.69 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1r4y h ALA 16 CO 0.05 -0.26 -1.91 1.05 0.00 0.00 0.00 179.25 178.18 1r4y h GLU 17 N 0.42 0.31 0.33 0.00 4.11 -0.89 -3.29 114.58 115.57 1r4y h GLU 17 Ca 0.47 -0.53 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 1r4y h GLU 17 Cb 0.78 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1r4y h GLU 17 CO -0.46 1.25 -0.16 1.03 0.07 0.00 0.00 179.01 180.74 1r4y h SER 18 N 0.08 -0.38 -1.15 3.06 0.87 0.65 0.70 113.55 117.39 1r4y h SER 18 Ca -0.40 0.01 0.44 0.00 -1.23 0.00 0.00 61.79 60.62 1r4y h SER 18 Cb 2.06 0.10 -0.16 0.00 -0.44 0.00 0.00 62.40 63.95 1r4y h SER 18 CO 0.12 0.06 0.67 -1.13 -0.53 0.00 0.00 176.83 176.02 1r4y h ASN 19 N -1.10 0.28 0.86 6.23 -0.00 0.17 0.33 115.58 122.35 1r4y h ASN 19 Ca -0.05 0.22 -0.23 0.00 -0.00 0.00 0.00 56.30 56.24 1r4y h ASN 19 Cb 0.34 0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 38.86 1r4y h ASN 19 CO 0.07 -0.36 -1.16 0.77 -0.00 0.00 0.00 177.43 176.75 1r4y h SER 20 N 0.02 0.06 -1.00 1.15 4.64 -1.56 -3.33 113.55 113.52 1r4y h SER 20 Ca 0.86 -0.07 0.25 0.00 -0.47 0.00 0.00 61.79 62.35 1r4y h SER 20 Cb 2.45 -0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 64.44 1r4y h SER 20 CO -0.65 1.06 0.66 0.45 -0.87 0.00 0.00 176.83 177.48 1r4y h HIS 21 N 0.01 0.56 -0.09 4.77 3.86 0.45 0.97 115.15 125.68 1r4y h HIS 21 Ca -0.08 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 58.98 1r4y h HIS 21 Cb 1.84 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 30.15 1r4y h HIS 21 CO 0.01 0.09 -0.60 0.45 0.86 0.00 0.00 177.93 178.74 1r4y h HIS 22 N 0.37 0.78 -0.81 2.45 3.86 -1.63 -3.46 115.15 116.70 1r4y h HIS 22 Ca 0.54 -0.36 -0.64 0.00 -1.16 0.00 0.00 60.37 58.75 1r4y h HIS 22 Cb 1.43 -0.11 0.04 0.00 1.06 0.00 0.00 27.41 29.83 1r4y h HIS 22 CO -0.00 1.16 0.06 0.00 0.86 0.00 0.00 177.93 180.01 1r4y n ALA 23 N -2.57 -3.01 -2.33 2.45 0.00 0.33 -4.84 120.51 110.54 1r4y n ALA 23 Ca -0.08 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 1r4y n ALA 23 Cb 0.65 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 0.07 4.29 -0.78 0.00 0.04 -1.26 -4.89 135.00 132.46 1r4y s PRO 24 Ca 0.74 1.83 -0.26 0.00 0.04 0.00 0.00 61.00 63.35 1r4y s PRO 24 Cb -1.04 -3.63 -0.11 0.00 0.04 0.00 0.00 34.50 29.76 1r4y s PRO 24 CO 0.47 -0.57 2.32 -1.17 0.04 0.00 0.00 177.00 178.09 1r4y s LEU 25 N 2.63 2.97 0.00 -3.56 2.96 -1.26 -4.71 118.68 117.70 1r4y s LEU 25 Ca 0.60 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.53 1r4y s LEU 25 Cb -0.27 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 43.87 1r4y s LEU 25 CO 0.23 -3.58 0.00 -1.20 -1.32 0.00 0.00 176.35 170.48 1r4y n SER 26 N 17.54 0.00 -4.34 3.68 7.64 -1.26 -5.10 113.62 131.77 1r4y n SER 26 Ca 0.44 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.86 1r4y n SER 26 Cb 0.45 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.63 1r4y n SER 26 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1r4y s ASP 27 N 0.00 6.79 -0.48 6.43 1.11 -1.26 -4.38 116.67 124.88 1r4y s ASP 27 Ca 0.00 -2.69 -0.07 0.00 0.18 0.00 0.00 52.55 49.97 1r4y s ASP 27 Cb 0.00 -2.23 0.01 0.00 1.07 0.00 0.00 42.92 41.77 1r4y s ASP 27 CO 0.00 -0.60 0.54 0.61 1.18 0.00 0.00 175.17 176.90 1r4y n GLY 28 N 4.04 -1.16 1.30 0.21 0.00 -0.66 -4.02 105.19 104.90 1r4y n GLY 28 Ca 0.16 0.74 0.04 0.00 0.00 0.00 0.00 46.02 46.95 1r4y n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r4y n LYS 29 N -0.93 0.14 -4.63 1.61 4.81 -1.25 -4.82 118.16 113.10 1r4y n LYS 29 Ca 0.06 -2.00 -0.30 0.00 -0.87 0.00 0.00 58.31 55.20 1r4y n LYS 29 Cb 0.44 -0.20 -0.13 0.00 0.02 0.00 0.00 35.03 35.16 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1r4y s THR 30 N -0.29 2.45 0.21 3.15 -4.23 -1.25 -5.01 115.64 110.68 1r4y s THR 30 Ca 0.31 -1.44 -0.19 0.00 -1.18 0.00 0.00 61.69 59.19 1r4y s THR 30 Cb 0.34 -2.04 0.20 0.00 1.34 0.00 0.00 72.50 72.35 1r4y s THR 30 CO -0.14 0.25 1.57 1.23 -0.54 0.00 0.00 174.62 176.99 1r4y h GLY 31 N 4.35 0.02 0.61 3.99 0.00 -1.17 -1.84 103.07 109.03 1r4y h GLY 31 Ca -0.48 0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1r4y h GLY 31 CO 0.44 -0.21 -0.29 0.23 0.00 0.00 0.00 176.54 176.71 1r4y h SER 32 N -0.07 -0.70 0.00 0.19 0.87 -1.29 -3.31 113.55 109.25 1r4y h SER 32 Ca 0.30 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1r4y h SER 32 Cb 0.58 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1r4y h SER 32 CO -0.86 -0.42 0.00 -1.20 -0.53 0.00 0.00 176.83 173.82 1r4y n SER 33 N -4.64 0.00 -4.77 6.23 7.64 -0.69 -4.94 113.62 112.44 1r4y n SER 33 Ca -0.10 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.37 1r4y n SER 33 Cb 0.32 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.53 1r4y n SER 33 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1r4y n TYR 34 N 0.00 2.87 -1.71 1.43 4.01 -1.26 -3.75 117.16 118.75 1r4y n TYR 34 Ca 0.00 0.44 -0.29 0.00 -0.16 0.00 0.00 57.90 57.89 1r4y n TYR 34 Cb 0.00 -2.50 0.09 0.00 -0.31 0.00 0.00 39.34 36.62 1r4y n TYR 34 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1r4y s PRO 35 N -2.25 2.01 0.29 -0.72 0.04 -1.26 -4.66 135.00 128.44 1r4y s PRO 35 Ca 0.56 0.38 0.03 0.00 0.04 0.00 0.00 61.00 62.02 1r4y s PRO 35 Cb -0.46 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1r4y s PRO 35 CO 0.61 -1.61 0.18 -3.38 0.04 0.00 0.00 177.00 172.84 1r4y s HIS 36 N -3.34 1.53 0.09 0.56 -3.43 -1.04 -1.65 115.29 108.02 1r4y s HIS 36 Ca 0.61 -1.43 -0.30 0.00 -0.80 0.00 0.00 55.06 53.14 1r4y s HIS 36 Cb -0.13 -0.76 -0.06 0.00 -1.43 0.00 0.00 32.58 30.20 1r4y s HIS 36 CO 0.52 -0.62 1.12 -0.46 -2.00 0.00 0.00 174.74 173.30 1r4y s TRP 37 N -3.70 3.54 -0.87 0.38 -0.00 -1.26 -2.04 118.94 114.99 1r4y s TRP 37 Ca 0.37 1.49 -0.15 0.00 -0.00 0.00 0.00 56.10 57.81 1r4y s TRP 37 Cb 0.05 -3.31 0.20 0.00 -0.00 0.00 0.00 33.47 30.41 1r4y s TRP 37 CO 0.18 -0.78 0.87 0.12 -0.00 0.00 0.00 176.95 177.34 1r4y s PHE 38 N 0.57 3.64 0.42 5.86 5.36 0.13 -4.88 117.98 129.08 1r4y s PHE 38 Ca 0.54 -1.89 0.31 0.00 -0.96 0.00 0.00 56.93 54.93 1r4y s PHE 38 Cb -0.28 -3.93 1.42 0.00 -0.34 0.00 0.00 43.02 39.89 1r4y s PHE 38 CO 0.31 -1.11 1.48 0.25 -1.46 0.00 0.00 175.22 174.70 1r4y n THR 39 N 4.27 -0.24 -1.70 0.12 -2.24 -1.26 -4.55 114.28 108.68 1r4y n THR 39 Ca 0.17 1.71 -0.17 0.00 -2.27 0.00 0.00 64.05 63.49 1r4y n THR 39 Cb 0.47 -2.80 -0.06 0.00 -2.10 0.00 0.00 70.33 65.84 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 -4.60 -4.53 0.00 3.42 5.15 -1.26 0.16 115.26 113.60 1r4y n ASN 40 Ca 0.38 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 1r4y n ASN 40 Cb 1.49 -4.03 0.00 0.00 -0.53 0.00 0.00 39.78 36.71 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 -0.45 3.11 3.36 8.20 0.00 -1.26 -3.95 105.19 114.19 1r4y n GLY 41 Ca -0.17 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.81 0.11 1.61 4.01 0.12 -4.25 117.16 116.96 1r4y n TYR 42 Ca 0.00 0.36 -0.22 0.00 -0.16 0.00 0.00 57.90 57.88 1r4y n TYR 42 Cb 0.00 -1.81 -0.15 0.00 -0.31 0.00 0.00 39.34 37.07 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 -0.22 0.65 0.00 7.72 3.32 -1.74 -3.44 116.42 122.71 1r4y h ASP 43 Ca -0.44 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 55.83 1r4y h ASP 43 Cb 1.38 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1r4y h ASP 43 CO 0.41 1.62 0.00 0.61 -1.72 0.00 0.00 179.24 180.16 1r4y n GLY 44 N 1.71 -1.47 1.28 2.75 0.00 -1.26 -5.06 105.19 103.14 1r4y n GLY 44 Ca -0.17 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1r4y n GLY 44 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r4y n ASP 45 N -3.10 0.41 -3.19 1.61 2.03 -1.26 -2.65 116.55 110.40 1r4y n ASP 45 Ca 0.00 0.12 -0.14 0.00 0.52 0.00 0.00 54.79 55.29 1r4y n ASP 45 Cb 0.00 -0.07 0.14 0.00 -0.72 0.00 0.00 41.12 40.47 1r4y n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r4y n GLY 46 N 2.98 -3.10 0.00 0.27 0.00 -1.26 -3.24 105.19 100.84 1r4y n GLY 46 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.06 -0.17 -2.88 1.61 0.00 -1.26 -4.36 118.16 108.04 1r4y n LYS 47 Ca 0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.18 1r4y n LYS 47 Cb 0.28 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.33 1r4y n LYS 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1r4y s LEU 48 N 0.00 3.51 0.69 -5.58 1.02 -1.26 -3.20 118.68 113.87 1r4y s LEU 48 Ca 0.00 -0.15 -0.13 0.00 0.02 0.00 0.00 54.13 53.87 1r4y s LEU 48 Cb 0.00 -2.81 0.01 0.00 0.02 0.00 0.00 46.19 43.41 1r4y s LEU 48 CO 0.00 -0.90 1.08 -2.16 0.02 0.00 0.00 176.35 174.40 1r4y s PRO 49 N -4.54 2.76 -0.60 1.29 0.04 -1.26 -4.91 135.00 127.78 1r4y s PRO 49 Ca 0.54 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.51 1r4y s PRO 49 Cb -0.10 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1r4y s PRO 49 CO 0.36 -1.25 2.21 0.21 0.04 0.00 0.00 177.00 178.57 1r4y s LYS 50 N -4.57 2.22 0.00 4.56 2.20 -1.26 -2.77 119.74 120.13 1r4y s LYS 50 Ca 0.62 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 1r4y s LYS 50 Cb -0.17 -4.59 0.00 0.00 -1.51 0.00 0.00 37.83 31.56 1r4y s LYS 50 CO 0.48 -3.29 0.00 0.41 -0.36 0.00 0.00 175.35 172.59 1r4y n GLY 51 N 6.09 0.82 3.24 5.54 0.00 -1.26 -5.16 105.19 114.46 1r4y n GLY 51 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 1.05 -0.26 1.61 6.06 -1.11 -5.14 118.95 121.16 1r4y s ARG 52 Ca 0.00 -1.47 -0.04 0.00 -2.50 0.00 0.00 55.73 51.72 1r4y s ARG 52 Cb 0.00 -0.48 0.09 0.00 0.06 0.00 0.00 34.95 34.63 1r4y s ARG 52 CO 0.00 0.00 0.13 0.99 -2.50 0.00 0.00 175.30 173.92 1r4y s THR 53 N -3.45 -0.10 1.10 4.11 2.01 -1.26 -5.02 115.64 113.03 1r4y s THR 53 Ca 0.18 -0.57 -0.17 0.00 0.31 0.00 0.00 61.69 61.44 1r4y s THR 53 Cb 0.04 -0.87 0.24 0.00 0.01 0.00 0.00 72.50 71.93 1r4y s THR 53 CO 0.01 -0.59 1.15 -2.16 -0.69 0.00 0.00 174.62 172.34 1r4y s PRO 54 N 2.13 -0.42 -0.18 4.92 0.04 -1.25 -4.80 135.00 135.43 1r4y s PRO 54 Ca 0.07 -0.00 -0.12 0.00 0.04 0.00 0.00 61.00 60.99 1r4y s PRO 54 Cb -0.16 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1r4y s PRO 54 CO -0.29 -3.19 0.20 0.42 0.04 0.00 0.00 177.00 174.18 1r4y s ILE 55 N -3.18 5.37 -0.02 0.56 1.01 -1.26 -5.07 121.20 118.61 1r4y s ILE 55 Ca 0.70 0.35 -0.19 0.00 0.00 0.00 0.00 60.65 61.51 1r4y s ILE 55 Cb -0.11 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1r4y s ILE 55 CO 0.55 0.43 0.53 -0.75 0.00 0.00 0.00 174.94 175.70 1r4y s LYS 56 N 0.34 4.24 -0.02 2.79 2.36 -1.26 -4.87 119.74 123.32 1r4y s LYS 56 Ca 0.12 0.62 -0.00 0.00 -2.55 0.00 0.00 55.97 54.15 1r4y s LYS 56 Cb -0.12 -3.33 -0.01 0.00 -1.05 0.00 0.00 37.83 33.32 1r4y s LYS 56 CO 0.01 0.41 -0.02 1.19 1.55 0.00 0.00 175.35 178.49 1r4y n PHE 57 N 2.65 0.00 0.00 4.03 3.72 -1.26 -4.91 117.46 121.69 1r4y n PHE 57 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1r4y n PHE 57 Cb 0.51 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 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 3.14 1.02 3.70 1.37 0.00 -1.26 -5.06 105.19 108.10 1r4y n GLY 58 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1r4y n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4y s LYS 59 N 0.00 3.26 0.00 1.61 1.02 -1.26 -4.99 119.74 119.38 1r4y s LYS 59 Ca 0.00 -0.35 0.20 0.00 0.02 0.00 0.00 55.97 55.84 1r4y s LYS 59 Cb 0.00 -2.94 1.06 0.00 -0.52 0.00 0.00 37.83 35.43 1r4y s LYS 59 CO 0.00 0.62 1.63 0.45 -0.92 0.00 0.00 175.35 177.14 1r4y n SER 60 N 2.41 0.00 -0.10 2.83 2.88 -1.26 -1.80 113.62 118.58 1r4y n SER 60 Ca -0.18 -0.12 -0.20 0.00 -1.33 0.00 0.00 58.87 57.03 1r4y n SER 60 Cb 0.54 -0.23 -0.11 0.00 -0.75 0.00 0.00 64.21 63.65 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 1.01 -3.46 5.19 -1.94 -2.42 116.42 114.80 1r4y h ASP 61 Ca 0.00 -0.52 -0.03 0.00 -0.62 0.00 0.00 57.03 55.86 1r4y h ASP 61 Cb 0.15 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 1r4y h ASP 61 CO 0.00 1.41 -0.15 0.00 -3.12 0.00 0.00 179.24 177.38 1r4y h ASP 63 N 0.00 0.51 -3.32 0.00 3.58 -1.50 -3.47 116.42 112.22 1r4y h ASP 63 Ca -0.00 -0.53 -0.53 0.00 0.42 0.00 0.00 57.03 56.39 1r4y h ASP 63 Cb 0.69 -0.16 0.22 0.00 1.72 0.00 0.00 39.33 41.79 1r4y h ASP 63 CO 0.02 1.41 -0.62 -2.11 -2.88 0.00 0.00 179.24 175.06 1r4y n ARG 64 N -3.58 -0.40 -2.37 0.28 1.85 -0.91 -4.95 116.66 106.59 1r4y n ARG 64 Ca -0.10 -0.08 -0.38 0.00 -1.00 0.00 0.00 57.85 56.30 1r4y n ARG 64 Cb 1.03 -1.84 -0.03 0.00 -1.05 0.00 0.00 32.46 30.57 1r4y n ARG 64 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1r4y s PRO 65 N -3.62 4.13 0.94 2.89 0.04 -1.26 -4.98 135.00 133.14 1r4y s PRO 65 Ca 0.57 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 1r4y s PRO 65 Cb -0.20 -2.69 0.15 0.00 0.04 0.00 0.00 34.50 31.80 1r4y s PRO 65 CO 0.67 -0.23 1.11 -1.25 0.04 0.00 0.00 177.00 177.35 1r4y s PRO 66 N -2.26 0.94 -0.41 0.56 0.04 -1.20 -4.86 135.00 127.81 1r4y s PRO 66 Ca 0.56 0.43 0.10 0.00 0.04 0.00 0.00 61.00 62.13 1r4y s PRO 66 Cb -0.29 -1.80 0.42 0.00 0.04 0.00 0.00 34.50 32.87 1r4y s PRO 66 CO 0.36 -2.36 1.01 1.17 0.04 0.00 0.00 177.00 177.22 1r4y n LYS 67 N -3.90 2.43 -2.51 4.56 3.00 -1.26 -4.39 118.16 116.07 1r4y n LYS 67 Ca 0.06 -4.03 -0.37 0.00 -0.00 0.00 0.00 58.31 53.97 1r4y n LYS 67 Cb 0.58 -1.86 -0.04 0.00 0.00 0.00 0.00 35.03 33.71 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 -3.30 3.33 0.00 5.64 5.65 -1.08 -4.33 115.29 121.19 1r4y s HIS 68 Ca 0.40 1.65 0.00 0.00 0.25 0.00 0.00 55.06 57.37 1r4y s HIS 68 Cb 0.40 -3.17 0.00 0.00 -1.18 0.00 0.00 32.58 28.63 1r4y s HIS 68 CO -0.10 -0.64 0.00 0.43 -0.65 0.00 0.00 174.74 173.78 1r4y n SER 69 N 0.22 0.00 -3.06 9.88 7.64 -1.21 -4.44 113.62 122.65 1r4y n SER 69 Ca 0.04 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.76 1r4y n SER 69 Cb 0.48 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.00 -2.49 -0.05 1.43 4.76 -1.14 -4.86 118.16 115.80 1r4y n LYS 70 Ca 0.00 -0.84 0.25 0.00 -2.87 0.00 0.00 58.31 54.85 1r4y n LYS 70 Cb 0.00 -0.86 0.70 0.00 -1.84 0.00 0.00 35.03 33.03 1r4y n LYS 70 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1r4y h ASP 71 N -2.16 0.00 0.00 4.39 3.04 -1.99 -3.39 116.42 116.32 1r4y h ASP 71 Ca -0.20 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.59 1r4y h ASP 71 Cb 0.64 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.93 1r4y h ASP 71 CO 0.13 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.94 1r4y n GLY 72 N -1.60 0.66 0.00 7.15 0.00 -1.26 -4.75 105.19 105.39 1r4y n GLY 72 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1r4y n GLY 72 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r4y n ASN 73 N 0.00 0.00 0.00 1.61 0.23 -1.26 -4.32 115.26 111.51 1r4y n ASN 73 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1r4y n ASN 73 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 4.56 0.31 0.00 4.83 0.00 -1.26 -2.88 105.19 110.75 1r4y n GLY 74 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.89 1.61 5.02 -1.26 -4.68 118.16 117.96 1r4y n LYS 75 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1r4y n LYS 75 Cb 0.00 0.00 0.37 0.00 -0.02 0.00 0.00 35.03 35.38 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 2.78 -0.91 -0.18 5.66 -1.26 -5.01 114.28 115.36 1r4y n THR 76 Ca 0.00 -1.53 -0.34 0.00 -3.05 0.00 0.00 64.05 59.13 1r4y n THR 76 Cb 0.00 -0.30 -0.09 0.00 -1.55 0.00 0.00 70.33 68.39 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 0.35 -0.59 1.09 9.92 -1.26 -4.72 116.55 121.63 1r4y n ASP 77 Ca 0.31 0.29 0.02 0.00 -0.53 0.00 0.00 54.79 54.87 1r4y n ASP 77 Cb 1.22 -0.60 0.07 0.00 -0.64 0.00 0.00 41.12 41.17 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 5.95 0.33 -1.46 1.24 1.44 -1.26 -4.63 115.22 116.83 1r4y n HIS 78 Ca 0.40 -0.12 -0.51 0.00 -2.01 0.00 0.00 57.72 55.47 1r4y n HIS 78 Cb -0.00 -0.12 -0.05 0.00 0.12 0.00 0.00 29.99 29.94 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 0.05 0.12 -2.59 -1.40 4.11 -1.26 -3.75 117.16 112.44 1r4y n TYR 79 Ca 0.05 0.96 -0.41 0.00 -0.00 0.00 0.00 57.90 58.50 1r4y n TYR 79 Cb 0.32 -2.05 -0.04 0.00 -0.00 0.00 0.00 39.34 37.57 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 1.71 4.51 0.10 -3.48 1.43 -1.26 -3.02 118.68 118.67 1r4y s LEU 80 Ca 0.73 2.02 0.06 0.00 -1.03 0.00 0.00 54.13 55.91 1r4y s LEU 80 Cb -1.02 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 41.56 1r4y s LEU 80 CO 0.56 -0.14 -0.16 -0.22 0.23 0.00 0.00 176.35 176.63 1r4y s LEU 81 N -0.44 2.33 0.30 1.79 0.20 -0.58 0.20 118.68 122.49 1r4y s LEU 81 Ca 0.47 -0.71 0.09 0.00 0.69 0.00 0.00 54.13 54.68 1r4y s LEU 81 Cb -0.28 -0.62 -0.06 0.00 -0.43 0.00 0.00 46.19 44.81 1r4y s LEU 81 CO 0.34 -0.07 -0.12 -1.83 -0.29 0.00 0.00 176.35 174.38 1r4y s GLU 82 N -2.16 1.69 -0.13 1.98 1.03 -0.87 -1.46 118.70 118.79 1r4y s GLU 82 Ca 0.04 -1.84 -0.06 0.00 0.03 0.00 0.00 54.97 53.14 1r4y s GLU 82 Cb -0.08 -1.55 0.05 0.00 -0.80 0.00 0.00 34.13 31.75 1r4y s GLU 82 CO 0.03 0.17 0.30 0.12 -1.33 0.00 0.00 175.26 174.55 1r4y s PHE 83 N -2.71 -0.43 -0.39 4.83 5.36 -1.05 -2.50 117.98 121.09 1r4y s PHE 83 Ca 0.30 0.97 -0.29 0.00 -0.96 0.00 0.00 56.93 56.96 1r4y s PHE 83 Cb 0.01 0.11 -0.00 0.00 -0.34 0.00 0.00 43.02 42.80 1r4y s PHE 83 CO 0.14 -0.28 1.58 -1.25 -1.46 0.00 0.00 175.22 173.95 1r4y s PRO 84 N 1.42 3.45 -0.39 10.12 0.04 -1.26 -1.28 135.00 147.10 1r4y s PRO 84 Ca -0.08 1.12 -0.09 0.00 0.04 0.00 0.00 61.00 61.99 1r4y s PRO 84 Cb -0.10 -4.11 0.06 0.00 0.04 0.00 0.00 34.50 30.39 1r4y s PRO 84 CO -0.10 -1.72 0.20 -0.08 0.04 0.00 0.00 177.00 175.34 1r4y s THR 85 N 6.13 4.14 0.62 1.26 -1.32 -1.16 -4.91 115.64 120.40 1r4y s THR 85 Ca 0.69 -1.23 -0.11 0.00 -1.21 0.00 0.00 61.69 59.83 1r4y s THR 85 Cb -0.17 -3.44 -0.04 0.00 -1.51 0.00 0.00 72.50 67.34 1r4y s THR 85 CO 0.33 -0.36 1.03 -0.36 -2.21 0.00 0.00 174.62 173.05 1r4y s PHE 86 N 1.44 3.62 0.09 9.09 0.08 -1.26 -4.84 117.98 126.19 1r4y s PHE 86 Ca 0.02 1.28 -0.11 0.00 0.12 0.00 0.00 56.93 58.23 1r4y s PHE 86 Cb -0.21 -2.73 -0.21 0.00 -0.57 0.00 0.00 43.02 39.30 1r4y s PHE 86 CO 0.03 -0.71 1.20 -1.00 -0.10 0.00 0.00 175.22 174.65 1r4y h PRO 87 N -0.33 0.60 -1.51 0.24 0.13 -1.96 -3.19 132.00 125.98 1r4y h PRO 87 Ca -0.44 -0.68 0.44 0.00 -0.87 0.00 0.00 66.00 64.45 1r4y h PRO 87 Cb 1.19 0.20 -0.07 0.00 0.13 0.00 0.00 31.00 32.46 1r4y h PRO 87 CO 0.62 1.28 1.08 -0.44 -0.23 0.00 0.00 178.00 180.31 1r4y h ASP 88 N 0.32 0.02 0.00 1.44 5.19 -1.95 -3.45 116.42 118.00 1r4y h ASP 88 Ca -0.13 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1r4y h ASP 88 Cb 1.72 0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.23 1r4y h ASP 88 CO 0.20 -0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.92 1r4y n GLY 89 N -1.82 0.70 3.74 2.75 0.00 -1.21 -5.01 105.19 104.35 1r4y n GLY 89 Ca 0.34 0.00 -0.41 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 -2.55 3.43 -1.02 1.61 -3.43 -1.26 -4.92 115.29 107.15 1r4y s HIS 90 Ca 0.00 1.47 -0.24 0.00 -0.80 0.00 0.00 55.06 55.49 1r4y s HIS 90 Cb 0.00 -3.42 -0.09 0.00 -1.43 0.00 0.00 32.58 27.65 1r4y s HIS 90 CO 0.00 -1.12 2.00 0.34 -2.00 0.00 0.00 174.74 173.95 1r4y s ASP 91 N -0.06 4.84 0.28 7.38 2.15 -1.26 -4.78 116.67 125.23 1r4y s ASP 91 Ca 0.51 -1.03 -0.21 0.00 0.43 0.00 0.00 52.55 52.25 1r4y s ASP 91 Cb -0.33 -2.57 -0.14 0.00 -0.30 0.00 0.00 42.92 39.58 1r4y s ASP 91 CO 0.38 -3.15 0.21 0.00 -0.17 0.00 0.00 175.17 172.45 1r4y n TYR 92 N 15.03 -1.30 -0.91 -5.34 9.36 -1.26 -4.75 117.16 127.99 1r4y n TYR 92 Ca 0.43 0.65 -0.21 0.00 3.32 0.00 0.00 57.90 62.08 1r4y n TYR 92 Cb 0.46 -1.60 -0.07 0.00 -0.63 0.00 0.00 39.34 37.51 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 2.30 0.22 2.98 2.85 -1.26 -4.39 118.16 121.91 1r4y n LYS 93 Ca 0.12 -1.38 0.10 0.00 -1.05 0.00 0.00 58.31 56.10 1r4y n LYS 93 Cb 0.30 -2.31 0.45 0.00 -0.65 0.00 0.00 35.03 32.82 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 4.89 0.00 0.00 5.58 -5.15 -1.86 -3.09 116.94 117.31 1r4y h PHE 94 Ca 0.46 0.00 -0.20 0.00 -0.20 0.00 0.00 57.97 58.03 1r4y h PHE 94 Cb 0.60 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.74 1r4y h PHE 94 CO 1.80 0.24 -1.23 0.22 -2.00 0.00 0.00 178.31 177.33 1r4y h ASP 95 N 0.00 0.00 -3.59 -0.68 1.82 -1.83 -1.50 116.42 110.64 1r4y h ASP 95 Ca -0.00 0.00 -0.63 0.00 -0.39 0.00 0.00 57.03 56.01 1r4y h ASP 95 Cb 0.75 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 40.63 1r4y h ASP 95 CO 0.03 0.77 0.31 -0.44 -1.61 0.00 0.00 179.24 178.29 1r4y s SER 96 N -6.19 6.43 0.11 2.28 0.01 -1.17 -1.30 113.70 113.88 1r4y s SER 96 Ca -0.01 -0.00 -0.21 0.00 1.31 0.00 0.00 55.95 57.03 1r4y s SER 96 Cb 0.09 -2.37 -0.08 0.00 0.21 0.00 0.00 66.02 63.86 1r4y s SER 96 CO 0.80 -0.82 1.73 0.07 0.41 0.00 0.00 173.24 175.43 1r4y h LYS 97 N 8.79 0.03 -3.61 12.44 2.10 -1.82 -3.24 116.57 131.27 1r4y h LYS 97 Ca -0.25 -0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.04 1r4y h LYS 97 Cb 1.09 -0.01 -0.36 0.00 -0.90 0.00 0.00 32.23 32.06 1r4y h LYS 97 CO 0.93 0.02 -0.75 0.15 -2.00 0.00 0.00 179.45 177.80 1r4y s LYS 98 N -6.19 0.24 1.18 0.07 1.02 -1.26 -3.78 119.74 111.02 1r4y s LYS 98 Ca -0.13 0.16 -0.18 0.00 0.02 0.00 0.00 55.97 55.83 1r4y s LYS 98 Cb 0.08 -0.55 0.28 0.00 -0.52 0.00 0.00 37.83 37.12 1r4y s LYS 98 CO 0.68 -0.21 1.10 -1.25 -0.92 0.00 0.00 175.35 174.75 1r4y s PRO 99 N 1.43 -1.04 -0.03 -1.68 0.04 -1.26 -5.15 135.00 127.31 1r4y s PRO 99 Ca -0.04 0.02 -0.01 0.00 0.04 0.00 0.00 61.00 61.00 1r4y s PRO 99 Cb -0.13 -1.61 0.03 0.00 0.04 0.00 0.00 34.50 32.83 1r4y s PRO 99 CO -0.03 -3.61 0.05 0.21 0.04 0.00 0.00 177.00 173.66 1r4y s LYS 100 N -5.33 -0.07 0.93 4.56 2.20 -1.25 -4.76 119.74 116.02 1r4y s LYS 100 Ca 0.70 0.32 -0.15 0.00 -0.36 0.00 0.00 55.97 56.48 1r4y s LYS 100 Cb -0.11 -0.43 0.21 0.00 -1.51 0.00 0.00 37.83 35.99 1r4y s LYS 100 CO 0.56 -0.28 1.26 -1.91 -0.36 0.00 0.00 175.35 174.63 1r4y n GLU 101 N 4.95 -1.20 -1.25 4.03 4.07 -1.26 -5.02 120.64 124.97 1r4y n GLU 101 Ca -0.11 -1.99 -0.37 0.00 -0.06 0.00 0.00 57.16 54.63 1r4y n GLU 101 Cb 0.50 -1.28 0.05 0.00 -0.06 0.00 0.00 31.44 30.64 1r4y n GLU 101 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1r4y n ASN 102 N -3.79 -2.43 0.00 4.31 5.15 -1.26 -4.97 115.26 112.27 1r4y n ASN 102 Ca 0.16 0.57 0.00 0.00 -0.60 0.00 0.00 54.58 54.71 1r4y n ASN 102 Cb 0.55 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 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 0.33 0.00 0.00 1.20 -0.04 -1.26 -5.00 135.00 130.23 1r4y n PRO 103 Ca 0.08 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1r4y n PRO 103 Cb 0.50 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 1.35 4.01 0.01 0.55 0.00 -1.26 -4.68 105.19 105.16 1r4y n GLY 104 Ca 0.00 -1.14 -0.00 0.00 0.00 0.00 0.00 46.02 44.88 1r4y n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r4y h PRO 105 N 0.00 -0.01 -6.66 1.61 0.13 -1.94 -3.45 132.00 121.67 1r4y h PRO 105 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.61 1r4y h PRO 105 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 1r4y h PRO 105 CO 0.00 -0.01 0.75 0.00 -0.23 0.00 0.00 178.00 178.51 1r4y s ALA 106 N -3.02 3.62 0.03 -0.56 0.00 -1.25 -4.36 121.76 116.23 1r4y s ALA 106 Ca -0.00 1.24 -0.00 0.00 0.00 0.00 0.00 51.96 53.20 1r4y s ALA 106 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1r4y s ALA 106 CO 0.01 -0.67 -0.03 1.03 0.00 0.00 0.00 175.76 176.09 1r4y s ARG 107 N 0.28 0.39 -0.37 0.00 0.52 -0.73 -3.01 118.95 116.03 1r4y s ARG 107 Ca 0.62 -0.75 -0.23 0.00 -0.52 0.00 0.00 55.73 54.85 1r4y s ARG 107 Cb -0.40 0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.19 1r4y s ARG 107 CO 0.37 -0.06 0.79 0.54 0.02 0.00 0.00 175.30 176.96 1r4y s VAL 108 N -1.98 4.72 -0.30 3.52 0.11 -0.40 -1.90 120.40 124.16 1r4y s VAL 108 Ca -0.11 0.87 -0.13 0.00 -2.93 0.00 0.00 61.98 59.69 1r4y s VAL 108 Cb -0.06 -4.22 -0.03 0.00 -1.53 0.00 0.00 36.38 30.53 1r4y s VAL 108 CO -0.03 -0.45 0.27 -0.63 -3.33 0.00 0.00 175.10 170.93 1r4y s ILE 109 N 3.12 5.25 0.02 7.04 1.09 -0.73 -2.53 121.20 134.48 1r4y s ILE 109 Ca 0.31 0.13 0.01 0.00 -1.10 0.00 0.00 60.65 60.00 1r4y s ILE 109 Cb -0.13 -3.66 -0.02 0.00 -1.06 0.00 0.00 42.46 37.60 1r4y s ILE 109 CO 0.17 0.11 -0.04 -0.72 -0.10 0.00 0.00 174.94 174.37 1r4y s TYR 110 N 1.86 0.31 0.65 3.97 -0.85 -0.53 -0.56 117.35 122.19 1r4y s TYR 110 Ca 0.09 -0.42 -0.09 0.00 -0.52 0.00 0.00 57.07 56.13 1r4y s TYR 110 Cb -0.16 -0.21 0.01 0.00 0.38 0.00 0.00 41.96 41.98 1r4y s TYR 110 CO 0.11 -0.13 1.00 0.95 -1.52 0.00 0.00 175.55 175.95 1r4y s THR 111 N -1.16 3.52 0.17 -3.49 -4.23 -1.25 -1.52 115.64 107.67 1r4y s THR 111 Ca -0.12 0.22 0.06 0.00 -1.18 0.00 0.00 61.69 60.67 1r4y s THR 111 Cb -0.08 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 1r4y s THR 111 CO -0.01 -0.52 0.09 -0.47 -0.54 0.00 0.00 174.62 173.17 1r4y s TYR 112 N -3.18 3.04 -0.07 3.99 6.14 -1.17 -3.24 117.35 122.87 1r4y s TYR 112 Ca 0.56 -0.06 -0.22 0.00 0.64 0.00 0.00 57.07 58.00 1r4y s TYR 112 Cb -0.11 -1.47 -0.17 0.00 0.42 0.00 0.00 41.96 40.63 1r4y s TYR 112 CO 0.48 0.52 0.81 -1.00 0.64 0.00 0.00 175.55 177.00 1r4y h PRO 113 N 2.51 -0.11 -6.01 4.97 0.13 -1.84 -3.38 132.00 128.27 1r4y h PRO 113 Ca -0.47 0.01 -0.73 0.00 -0.87 0.00 0.00 66.00 63.94 1r4y h PRO 113 Cb 1.20 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1r4y h PRO 113 CO 0.61 0.43 1.30 -1.71 -0.23 0.00 0.00 178.00 178.40 1r4y n ASN 114 N -4.82 1.56 -4.53 1.44 5.15 -1.26 -4.76 115.26 108.04 1r4y n ASN 114 Ca -0.08 0.62 -0.23 0.00 -0.60 0.00 0.00 54.58 54.29 1r4y n ASN 114 Cb 0.29 -1.09 -0.09 0.00 -0.53 0.00 0.00 39.78 38.37 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 7.48 0.98 -2.03 1.20 5.02 -1.20 -4.30 118.16 125.32 1r4y n LYS 115 Ca 0.45 -2.13 -0.40 0.00 -2.02 0.00 0.00 58.31 54.21 1r4y n LYS 115 Cb 0.10 -3.77 -0.02 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 8.26 3.09 -1.28 -0.18 0.31 -1.22 -4.81 118.33 122.50 1r4y n VAL 116 Ca 0.44 -3.01 -0.39 0.00 -0.01 0.00 0.00 64.34 61.36 1r4y n VAL 116 Cb 0.46 -2.38 -0.13 0.00 -0.91 0.00 0.00 33.84 30.89 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 8.79 0.60 0.02 3.52 7.35 -1.26 -3.85 117.46 132.63 1r4y n PHE 117 Ca 0.49 0.40 -0.22 0.00 -0.76 0.00 0.00 57.45 57.37 1r4y n PHE 117 Cb 0.43 -2.09 -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 1.75 -0.31 3.09 0.00 0.00 -1.21 -4.87 105.19 103.66 1r4y n GLY 119 Ca -0.24 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 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 1.07 0.12 -0.61 -1.09 -1.26 -1.77 121.20 113.67 1r4y s ILE 120 Ca 0.00 -0.57 0.07 0.00 -2.23 0.00 0.00 60.65 57.92 1r4y s ILE 120 Cb 0.00 -0.90 -0.04 0.00 -1.58 0.00 0.00 42.46 39.94 1r4y s ILE 120 CO 0.00 0.31 -0.17 0.27 -1.23 0.00 0.00 174.94 174.12 1r4y s ILE 121 N -0.24 1.53 -0.02 2.92 -4.36 -0.80 0.47 121.20 120.69 1r4y s ILE 121 Ca 0.04 -1.68 -0.29 0.00 -0.26 0.00 0.00 60.65 58.46 1r4y s ILE 121 Cb -0.06 -1.56 0.10 0.00 1.25 0.00 0.00 42.46 42.19 1r4y s ILE 121 CO -0.00 -0.28 0.90 0.00 0.24 0.00 0.00 174.94 175.80 1r4y s ALA 122 N -1.77 -1.84 -0.82 2.27 0.00 -0.82 -1.77 121.76 117.00 1r4y s ALA 122 Ca 0.09 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.95 1r4y s ALA 122 Cb -0.07 0.29 0.13 0.00 0.00 0.00 0.00 23.12 23.47 1r4y s ALA 122 CO 0.04 -0.64 0.99 -1.01 0.00 0.00 0.00 175.76 175.14 1r4y s HIS 123 N -2.88 3.12 -0.54 0.00 3.76 -1.26 -2.81 115.29 114.67 1r4y s HIS 123 Ca 0.04 -1.28 -0.01 0.00 -0.15 0.00 0.00 55.06 53.66 1r4y s HIS 123 Cb -0.01 -4.18 0.44 0.00 1.11 0.00 0.00 32.58 29.94 1r4y s HIS 123 CO -0.08 -1.42 1.98 -2.37 -0.85 0.00 0.00 174.74 172.01 1r4y n THR 124 N 5.36 3.33 -0.08 1.30 5.66 -1.26 -4.24 114.28 124.36 1r4y n THR 124 Ca 0.13 -2.42 -0.07 0.00 -3.05 0.00 0.00 64.05 58.65 1r4y n THR 124 Cb 0.47 -1.04 -0.14 0.00 -1.55 0.00 0.00 70.33 68.07 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 -0.71 1.13 0.03 1.09 3.00 -1.26 -5.02 118.16 116.42 1r4y n LYS 125 Ca 0.55 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 1r4y n LYS 125 Cb 0.85 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 34.44 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 -2.60 0.00 0.00 1.64 0.00 -1.26 -5.01 120.64 113.41 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 1.01 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.45 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 -2.46 0.00 -2.84 4.31 5.15 -1.26 -5.03 115.26 113.13 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 0.17 0.01 0.00 -0.53 0.00 0.00 39.78 39.43 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 -2.15 0.59 0.00 1.20 6.02 -1.26 -4.81 117.38 116.96 1r4y n GLN 128 Ca 0.00 -2.11 0.00 0.00 -0.01 0.00 0.00 57.00 54.88 1r4y n GLN 128 Cb 0.00 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.78 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 2.46 1.80 3.84 1.08 0.00 -1.26 -5.11 105.19 108.00 1r4y n GLY 129 Ca 0.17 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1r4y n GLY 129 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r4y s GLU 130 N 1.65 4.00 0.03 1.61 2.02 -1.26 -4.99 118.70 121.75 1r4y s GLU 130 Ca 0.00 0.90 0.06 0.00 0.02 0.00 0.00 54.97 55.94 1r4y s GLU 130 Cb 0.00 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.98 1r4y s GLU 130 CO 0.00 -0.13 -0.15 -0.51 0.02 0.00 0.00 175.26 174.49 1r4y s LEU 131 N -3.71 2.77 0.24 1.80 1.43 -1.26 -3.99 118.68 115.97 1r4y s LEU 131 Ca 0.58 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 1r4y s LEU 131 Cb -0.10 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1r4y s LEU 131 CO 0.25 0.27 0.45 -1.59 0.23 0.00 0.00 176.35 175.96 1r4y s LYS 132 N -1.41 1.51 0.18 1.70 -2.85 -1.12 -4.91 119.74 112.84 1r4y s LYS 132 Ca 0.15 -1.28 -0.28 0.00 -1.00 0.00 0.00 55.97 53.57 1r4y s LYS 132 Cb -0.11 0.45 -0.08 0.00 -2.06 0.00 0.00 37.83 36.04 1r4y s LYS 132 CO 0.06 -0.62 0.86 -1.17 0.10 0.00 0.00 175.35 174.58 1r4y s LEU 133 N -3.03 4.59 0.00 2.77 2.96 -1.26 -1.95 118.68 122.76 1r4y s LEU 133 Ca 0.24 1.77 -0.16 0.00 -0.22 0.00 0.00 54.13 55.76 1r4y s LEU 133 Cb 0.00 -3.45 0.25 0.00 0.50 0.00 0.00 46.19 43.49 1r4y s LEU 133 CO 0.09 0.14 0.60 0.00 -1.32 0.00 0.00 176.35 175.86 1r4y s SER 135 N -2.82 -1.10 0.00 0.00 1.04 -0.89 -4.91 113.70 105.01 1r4y s SER 135 Ca 0.45 0.98 0.29 0.00 0.48 0.00 0.00 55.95 58.15 1r4y s SER 135 Cb -0.07 2.05 1.24 0.00 0.10 0.00 0.00 66.02 69.33 1r4y s SER 135 CO 0.37 -0.25 1.85 0.00 0.98 0.00 0.00 173.24 176.19