#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 3.15 -0.48 0.00 0.11 -1.26 -4.89 120.40 117.03 1r4y s VAL 2 Ca 0.00 -1.24 -0.25 0.00 -2.93 0.00 0.00 61.98 57.56 1r4y s VAL 2 Cb 0.00 -3.10 0.03 0.00 -1.53 0.00 0.00 36.38 31.78 1r4y s VAL 2 CO 0.00 -0.07 0.90 -0.89 -3.33 0.00 0.00 175.10 171.71 1r4y s THR 3 N -2.36 4.48 0.30 5.04 2.01 -1.26 -3.08 115.64 120.78 1r4y s THR 3 Ca 0.47 0.59 -0.28 0.00 0.31 0.00 0.00 61.69 62.79 1r4y s THR 3 Cb -0.06 -4.44 -0.09 0.00 0.01 0.00 0.00 72.50 67.92 1r4y s THR 3 CO 0.29 -0.87 1.00 0.26 -0.69 0.00 0.00 174.62 174.61 1r4y s TRP 4 N 3.72 3.66 -0.03 4.92 0.52 -0.61 -4.24 118.94 126.88 1r4y s TRP 4 Ca 0.34 1.77 0.02 0.00 0.02 0.00 0.00 56.10 58.26 1r4y s TRP 4 Cb -0.11 -3.07 0.01 0.00 -1.15 0.00 0.00 33.47 29.15 1r4y s TRP 4 CO 0.24 -0.07 -0.09 0.99 0.02 0.00 0.00 176.95 178.04 1r4y s THR 5 N -1.39 0.80 0.00 2.01 2.01 -1.09 -0.28 115.64 117.71 1r4y s THR 5 Ca 0.48 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1r4y s THR 5 Cb -0.25 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1r4y s THR 5 CO 0.31 0.26 0.00 0.00 -0.69 0.00 0.00 174.62 174.50 1r4y n GLY 7 N 2.02 2.69 2.71 0.00 0.00 -1.26 -4.63 105.19 106.73 1r4y n GLY 7 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 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 1.69 0.54 3.54 -0.02 0.00 -1.26 -4.96 105.19 104.71 1r4y n GLY 8 Ca 0.12 -0.06 -0.30 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 -1.06 2.89 -0.21 0.99 1.43 -1.26 -5.11 118.68 116.35 1r4y s LEU 9 Ca 0.00 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1r4y s LEU 9 Cb 0.00 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1r4y s LEU 9 CO 0.00 0.19 0.06 -0.76 0.23 0.00 0.00 176.35 176.07 1r4y s LEU 10 N -2.11 3.60 -0.28 1.79 2.01 -1.26 -3.37 118.68 119.06 1r4y s LEU 10 Ca 0.19 -0.07 0.03 0.00 0.01 0.00 0.00 54.13 54.30 1r4y s LEU 10 Cb -0.11 -1.93 0.07 0.00 0.01 0.00 0.00 46.19 44.23 1r4y s LEU 10 CO 0.12 0.08 -0.06 -0.31 1.01 0.00 0.00 176.35 177.19 1r4y s TYR 11 N 0.93 3.38 -0.19 0.29 2.02 0.62 -4.34 117.35 120.06 1r4y s TYR 11 Ca 0.03 -2.51 -0.34 0.00 -0.37 0.00 0.00 57.07 53.88 1r4y s TYR 11 Cb -0.14 -2.21 -0.11 0.00 -0.40 0.00 0.00 41.96 39.10 1r4y s TYR 11 CO 0.03 -0.90 1.99 -1.71 -1.57 0.00 0.00 175.55 173.39 1r4y n ASN 12 N 4.39 3.03 -0.20 2.29 4.05 -1.26 -1.57 115.26 125.98 1r4y n ASN 12 Ca -0.09 0.74 -0.01 0.00 0.45 0.00 0.00 54.58 55.68 1r4y n ASN 12 Cb 0.42 -1.35 0.10 0.00 1.23 0.00 0.00 39.78 40.18 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 10.63 0.45 -0.97 1.20 5.75 -1.88 0.18 115.11 130.47 1r4y h GLN 13 Ca -0.42 -0.03 0.22 0.00 -0.15 0.00 0.00 58.65 58.27 1r4y h GLN 13 Cb 1.28 -0.10 -0.08 0.00 1.07 0.00 0.00 27.48 29.65 1r4y h GLN 13 CO 0.97 0.30 0.63 -0.97 -2.65 0.00 0.00 178.83 177.10 1r4y h ASN 14 N 0.46 0.49 -0.02 -0.69 -0.73 -1.88 0.37 115.58 113.58 1r4y h ASN 14 Ca 0.29 0.06 -0.24 0.00 1.87 0.00 0.00 56.30 58.29 1r4y h ASN 14 Cb 0.32 -0.02 0.02 0.00 0.27 0.00 0.00 38.32 38.90 1r4y h ASN 14 CO -0.26 0.17 -0.93 0.11 -0.37 0.00 0.00 177.43 176.14 1r4y h LYS 15 N 0.47 0.66 -0.92 6.67 1.57 -1.13 0.30 116.57 124.20 1r4y h LYS 15 Ca 0.53 -0.69 0.20 0.00 -1.87 0.00 0.00 60.65 58.82 1r4y h LYS 15 Cb 1.22 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 33.65 1r4y h LYS 15 CO -0.25 1.28 0.60 0.00 -0.57 0.00 0.00 179.45 180.51 1r4y h ALA 16 N 0.40 2.09 0.06 3.86 0.00 0.19 0.47 119.26 126.34 1r4y h ALA 16 Ca -0.11 0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.46 1r4y h ALA 16 Cb 1.59 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1r4y h ALA 16 CO 0.18 -0.39 -2.18 -0.85 0.00 0.00 0.00 179.25 176.02 1r4y n GLU 17 N -4.55 0.70 0.12 0.00 0.28 -0.08 -3.40 120.64 113.72 1r4y n GLU 17 Ca 0.20 0.21 -0.08 0.00 -0.16 0.00 0.00 57.16 57.32 1r4y n GLU 17 Cb 0.66 -1.63 -0.05 0.00 1.43 0.00 0.00 31.44 31.85 1r4y n GLU 17 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1r4y h SER 18 N 0.03 -0.33 -0.76 -1.84 0.87 -0.14 0.35 113.55 111.73 1r4y h SER 18 Ca -0.48 -0.09 0.22 0.00 -1.23 0.00 0.00 61.79 60.21 1r4y h SER 18 Cb 2.00 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 64.02 1r4y h SER 18 CO 0.02 0.14 0.64 -1.13 -0.53 0.00 0.00 176.83 175.97 1r4y h ASN 19 N -1.06 0.00 1.10 6.23 -0.73 -0.25 0.33 115.58 121.21 1r4y h ASN 19 Ca -0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1r4y h ASN 19 Cb 0.40 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.99 1r4y h ASN 19 CO 0.07 0.00 -0.59 0.77 -0.37 0.00 0.00 177.43 177.31 1r4y h SER 20 N 0.00 0.00 -0.57 1.15 4.64 -1.50 -3.27 113.55 114.00 1r4y h SER 20 Ca 0.36 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 1r4y h SER 20 Cb 1.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.71 1r4y h SER 20 CO -0.00 0.05 -0.01 0.45 -0.87 0.00 0.00 176.83 176.45 1r4y h HIS 21 N 0.00 1.13 -0.02 4.77 3.86 0.37 -2.98 115.15 122.28 1r4y h HIS 21 Ca 0.00 -0.19 -0.21 0.00 -1.16 0.00 0.00 60.37 58.80 1r4y h HIS 21 Cb 0.85 -0.29 0.02 0.00 1.06 0.00 0.00 27.41 29.04 1r4y h HIS 21 CO 0.00 1.00 -0.82 0.45 0.86 0.00 0.00 177.93 179.42 1r4y h HIS 22 N 0.94 0.87 -1.03 2.45 3.86 -1.66 -3.46 115.15 117.13 1r4y h HIS 22 Ca 0.17 -0.46 -0.79 0.00 -1.16 0.00 0.00 60.37 58.13 1r4y h HIS 22 Cb 0.56 -0.11 0.05 0.00 1.06 0.00 0.00 27.41 28.98 1r4y h HIS 22 CO 0.04 1.28 0.07 0.00 0.86 0.00 0.00 177.93 180.18 1r4y n ALA 23 N -2.62 -3.55 -2.27 2.45 0.00 -1.13 -4.82 120.51 108.58 1r4y n ALA 23 Ca -0.10 0.60 -0.43 0.00 0.00 0.00 0.00 53.44 53.51 1r4y n ALA 23 Cb 0.77 -1.77 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 0.01 3.86 -0.58 0.00 0.04 -1.26 -4.91 135.00 132.16 1r4y s PRO 24 Ca 0.91 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 63.13 1r4y s PRO 24 Cb -1.26 -3.96 -0.10 0.00 0.04 0.00 0.00 34.50 29.23 1r4y s PRO 24 CO 0.57 -1.20 2.47 -0.11 0.04 0.00 0.00 177.00 178.76 1r4y n LEU 25 N 8.02 1.95 -3.65 -3.56 7.94 -1.26 -4.63 117.00 121.81 1r4y n LEU 25 Ca 0.17 -0.37 -0.05 0.00 -1.11 0.00 0.00 56.01 54.65 1r4y n LEU 25 Cb 0.46 -1.46 -0.02 0.00 0.53 0.00 0.00 43.42 42.93 1r4y n LEU 25 CO 0.64 -1.40 0.74 -0.44 -1.11 0.00 0.00 177.39 175.82 1r4y s SER 26 N 11.56 -0.23 -1.08 1.96 0.01 -1.26 -5.00 113.70 119.65 1r4y s SER 26 Ca 1.05 -0.23 -0.05 0.00 1.31 0.00 0.00 55.95 58.02 1r4y s SER 26 Cb -0.39 0.42 0.30 0.00 0.21 0.00 0.00 66.02 66.56 1r4y s SER 26 CO 0.31 -0.74 1.35 -0.67 0.41 0.00 0.00 173.24 173.90 1r4y n ASP 27 N -0.39 6.09 -1.53 2.44 2.03 -1.26 -4.22 116.55 119.71 1r4y n ASP 27 Ca -0.07 -3.30 -0.00 0.00 0.52 0.00 0.00 54.79 51.94 1r4y n ASP 27 Cb 0.61 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1r4y n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r4y n GLY 28 N 1.74 -2.00 1.76 0.27 0.00 -0.85 -4.54 105.19 101.57 1r4y n GLY 28 Ca 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.19 0.54 -4.45 1.61 5.02 -1.25 -5.03 118.16 114.41 1r4y n LYS 29 Ca 0.00 -1.72 -0.21 0.00 -2.02 0.00 0.00 58.31 54.36 1r4y n LYS 29 Cb 0.00 0.01 -0.14 0.00 -0.02 0.00 0.00 35.03 34.89 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1r4y s THR 30 N -0.57 1.11 0.03 -0.18 -4.23 -1.26 -5.04 115.64 105.51 1r4y s THR 30 Ca 0.16 -0.87 -0.06 0.00 -1.18 0.00 0.00 61.69 59.74 1r4y s THR 30 Cb 0.25 -0.98 -0.01 0.00 1.34 0.00 0.00 72.50 73.09 1r4y s THR 30 CO -0.08 0.11 1.01 0.61 -0.54 0.00 0.00 174.62 175.73 1r4y n GLY 31 N 2.17 -2.73 0.18 3.99 0.00 -0.74 -1.99 105.19 106.07 1r4y n GLY 31 Ca -0.17 0.65 -0.06 0.00 0.00 0.00 0.00 46.02 46.45 1r4y n GLY 31 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1r4y h SER 32 N 0.00 -0.57 0.00 1.61 0.87 -0.35 -3.39 113.55 111.72 1r4y h SER 32 Ca 0.03 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1r4y h SER 32 Cb 0.08 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1r4y h SER 32 CO -0.19 -0.21 0.00 -1.54 -0.53 0.00 0.00 176.83 174.36 1r4y n SER 33 N -3.53 0.00 -4.77 6.23 3.41 -0.84 -5.01 113.62 109.11 1r4y n SER 33 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.23 1r4y n SER 33 Cb 0.15 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 1r4y n SER 33 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1r4y s TYR 34 N 0.00 2.64 0.26 7.33 1.51 -1.26 -3.83 117.35 124.00 1r4y s TYR 34 Ca 0.00 1.54 -0.29 0.00 -1.01 0.00 0.00 57.07 57.31 1r4y s TYR 34 Cb 0.00 -3.31 -0.09 0.00 -0.11 0.00 0.00 41.96 38.45 1r4y s TYR 34 CO 0.00 -1.65 1.17 -1.25 -1.11 0.00 0.00 175.55 172.72 1r4y s PRO 35 N -3.29 4.54 0.09 -1.71 0.04 -1.26 -4.69 135.00 128.71 1r4y s PRO 35 Ca 0.73 1.92 0.06 0.00 0.04 0.00 0.00 61.00 63.75 1r4y s PRO 35 Cb -0.25 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 1r4y s PRO 35 CO 0.28 0.04 -0.16 -3.38 0.04 0.00 0.00 177.00 173.81 1r4y s HIS 36 N -0.83 1.40 0.62 0.56 -3.43 -1.23 -2.01 115.29 110.36 1r4y s HIS 36 Ca 0.48 -0.46 -0.18 0.00 -0.80 0.00 0.00 55.06 54.10 1r4y s HIS 36 Cb -0.34 -0.77 -0.11 0.00 -1.43 0.00 0.00 32.58 29.93 1r4y s HIS 36 CO 0.42 0.11 0.09 1.87 -2.00 0.00 0.00 174.74 175.23 1r4y n TRP 37 N 1.13 -2.20 -3.69 0.38 -0.00 -1.26 -3.15 117.44 108.65 1r4y n TRP 37 Ca -0.20 0.38 -0.28 0.00 -0.00 0.00 0.00 57.50 57.40 1r4y n TRP 37 Cb 0.54 -1.77 -0.11 0.00 -0.00 0.00 0.00 31.31 29.97 1r4y n TRP 37 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1r4y n PHE 38 N -1.83 1.63 -0.29 5.87 7.35 0.93 -4.70 117.46 126.42 1r4y n PHE 38 Ca 0.08 -3.92 0.28 0.00 -0.76 0.00 0.00 57.45 53.13 1r4y n PHE 38 Cb 0.49 -0.28 0.51 0.00 0.35 0.00 0.00 39.48 40.54 1r4y n PHE 38 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1r4y n THR 39 N 2.25 -0.34 -1.42 -2.13 -2.24 -1.26 -4.56 114.28 104.58 1r4y n THR 39 Ca 0.24 1.70 -0.15 0.00 -2.27 0.00 0.00 64.05 63.57 1r4y n THR 39 Cb 0.40 -2.76 -0.06 0.00 -2.10 0.00 0.00 70.33 65.80 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 -4.85 -5.41 0.00 3.42 5.15 -1.26 -0.41 115.26 111.90 1r4y n ASN 40 Ca 0.33 0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.67 1r4y n ASN 40 Cb 1.13 -4.35 0.00 0.00 -0.53 0.00 0.00 39.78 36.03 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 -0.03 3.20 3.30 8.20 0.00 -1.26 -4.09 105.19 114.51 1r4y n GLY 41 Ca -0.15 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.36 0.08 1.61 4.01 0.45 -4.47 117.16 116.49 1r4y n TYR 42 Ca 0.00 0.31 -0.18 0.00 -0.16 0.00 0.00 57.90 57.87 1r4y n TYR 42 Cb 0.00 -1.75 -0.14 0.00 -0.31 0.00 0.00 39.34 37.14 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 -0.36 0.46 0.00 7.72 3.32 -1.83 -3.44 116.42 122.30 1r4y h ASP 43 Ca -0.44 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.02 1r4y h ASP 43 Cb 1.37 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1r4y h ASP 43 CO 0.39 1.49 0.00 0.61 -1.72 0.00 0.00 179.24 180.00 1r4y n GLY 44 N 1.66 0.67 2.00 2.75 0.00 -1.26 -5.06 105.19 105.96 1r4y n GLY 44 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -0.06 0.00 1.61 -0.08 -1.26 -3.24 116.55 113.52 1r4y n ASP 45 Ca 0.00 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1r4y n ASP 45 Cb 0.00 0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.68 1r4y n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r4y n GLY 46 N 0.50 -0.70 0.00 0.27 0.00 -1.22 -4.12 105.19 99.93 1r4y n GLY 46 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.98 1.98 -4.14 1.61 2.85 -1.26 -3.56 118.16 113.66 1r4y n LYS 47 Ca 0.00 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.00 1r4y n LYS 47 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 1r4y n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1r4y s LEU 48 N 0.00 2.86 0.64 -5.58 1.02 -1.26 -2.94 118.68 113.41 1r4y s LEU 48 Ca 0.00 -1.22 -0.14 0.00 0.02 0.00 0.00 54.13 52.80 1r4y s LEU 48 Cb 0.00 -1.27 -0.02 0.00 0.02 0.00 0.00 46.19 44.93 1r4y s LEU 48 CO 0.00 -0.78 1.06 -2.16 0.02 0.00 0.00 176.35 174.49 1r4y s PRO 49 N -4.03 3.12 -0.55 1.29 0.04 -1.26 -4.89 135.00 128.72 1r4y s PRO 49 Ca 0.33 1.11 -0.26 0.00 0.04 0.00 0.00 61.00 62.22 1r4y s PRO 49 Cb 0.01 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1r4y s PRO 49 CO 0.19 -0.96 2.42 1.17 0.04 0.00 0.00 177.00 179.86 1r4y n LYS 50 N -2.51 0.93 0.00 4.56 4.81 -1.26 -3.18 118.16 121.51 1r4y n LYS 50 Ca 0.08 -0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1r4y n LYS 50 Cb 0.53 -3.48 0.00 0.00 0.02 0.00 0.00 35.03 32.10 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 6.17 0.61 3.24 3.14 0.00 -1.26 -5.17 105.19 111.93 1r4y n GLY 51 Ca 0.39 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1r4y n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r4y s ARG 52 N 0.00 0.49 -0.35 1.61 1.81 -1.19 -5.13 118.95 116.19 1r4y s ARG 52 Ca 0.00 0.28 0.00 0.00 -1.72 0.00 0.00 55.73 54.29 1r4y s ARG 52 Cb 0.00 0.23 0.11 0.00 -0.45 0.00 0.00 34.95 34.84 1r4y s ARG 52 CO 0.00 -0.09 0.14 0.99 -0.68 0.00 0.00 175.30 175.66 1r4y s THR 53 N -0.28 1.01 1.04 0.02 2.01 -1.26 -4.99 115.64 113.19 1r4y s THR 53 Ca -0.04 -1.75 -0.15 0.00 0.31 0.00 0.00 61.69 60.06 1r4y s THR 53 Cb -0.03 -1.75 0.21 0.00 0.01 0.00 0.00 72.50 70.93 1r4y s THR 53 CO 0.02 -0.75 1.13 -2.16 -0.69 0.00 0.00 174.62 172.17 1r4y s PRO 54 N 1.23 0.11 -0.42 4.92 0.04 -1.26 -4.94 135.00 134.68 1r4y s PRO 54 Ca 0.12 0.16 -0.24 0.00 0.04 0.00 0.00 61.00 61.08 1r4y s PRO 54 Cb -0.20 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1r4y s PRO 54 CO -0.16 -2.87 0.85 0.42 0.04 0.00 0.00 177.00 175.28 1r4y s ILE 55 N -3.17 4.60 0.18 0.56 1.01 -1.26 -5.02 121.20 118.10 1r4y s ILE 55 Ca 0.68 0.74 -0.30 0.00 0.00 0.00 0.00 60.65 61.77 1r4y s ILE 55 Cb -0.13 -4.33 -0.07 0.00 0.01 0.00 0.00 42.46 37.93 1r4y s ILE 55 CO 0.55 -0.67 0.94 -0.75 0.00 0.00 0.00 174.94 175.02 1r4y s LYS 56 N 3.42 4.77 0.01 2.79 2.20 -1.26 -4.95 119.74 126.72 1r4y s LYS 56 Ca 0.34 1.45 -0.01 0.00 -0.36 0.00 0.00 55.97 57.39 1r4y s LYS 56 Cb -0.12 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 1r4y s LYS 56 CO 0.22 0.38 -0.03 1.19 -0.36 0.00 0.00 175.35 176.75 1r4y n PHE 57 N 2.10 0.00 0.00 4.03 3.01 -1.26 -4.97 117.46 120.37 1r4y n PHE 57 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1r4y n PHE 57 Cb 0.48 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1r4y n PHE 57 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1r4y n GLY 58 N 3.00 1.06 3.65 1.37 0.00 -1.26 -5.14 105.19 107.87 1r4y n GLY 58 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 0.07 -0.25 1.61 -0.14 -1.26 -5.00 119.74 114.77 1r4y s LYS 59 Ca 0.00 0.46 -0.09 0.00 -1.36 0.00 0.00 55.97 54.98 1r4y s LYS 59 Cb 0.00 -1.70 -0.12 0.00 -1.68 0.00 0.00 37.83 34.33 1r4y s LYS 59 CO 0.00 -2.96 -0.30 0.43 -0.76 0.00 0.00 175.35 171.76 1r4y n SER 60 N -4.33 1.88 -0.03 2.83 7.64 -1.26 -3.57 113.62 116.79 1r4y n SER 60 Ca 0.05 0.20 -0.17 0.00 1.01 0.00 0.00 58.87 59.97 1r4y n SER 60 Cb 0.57 -0.66 -0.07 0.00 -1.01 0.00 0.00 64.21 63.04 1r4y n SER 60 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1r4y h ASP 61 N -0.69 0.87 0.86 6.43 5.19 -1.95 0.30 116.42 127.43 1r4y h ASP 61 Ca -0.62 -0.63 0.00 0.00 -0.62 0.00 0.00 57.03 55.16 1r4y h ASP 61 Cb 1.63 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1r4y h ASP 61 CO -0.32 1.35 0.00 0.00 -3.12 0.00 0.00 179.24 177.16 1r4y n ASP 63 N -2.23 0.85 -4.34 0.00 2.03 -1.08 -4.93 116.55 106.85 1r4y n ASP 63 Ca 0.03 0.14 -0.32 0.00 0.52 0.00 0.00 54.79 55.16 1r4y n ASP 63 Cb 0.27 0.21 0.19 0.00 -0.72 0.00 0.00 41.12 41.06 1r4y n ASP 63 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1r4y n ARG 64 N -3.01 -1.64 -2.32 -0.67 1.85 0.10 -4.89 116.66 106.07 1r4y n ARG 64 Ca -0.30 -0.46 -0.42 0.00 -1.00 0.00 0.00 57.85 55.67 1r4y n ARG 64 Cb 1.09 -1.83 -0.03 0.00 -1.05 0.00 0.00 32.46 30.64 1r4y n ARG 64 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1r4y s PRO 65 N -3.69 4.30 0.83 2.89 0.04 -1.26 -4.97 135.00 133.15 1r4y s PRO 65 Ca 0.59 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 63.36 1r4y s PRO 65 Cb -0.16 -3.59 0.09 0.00 0.04 0.00 0.00 34.50 30.88 1r4y s PRO 65 CO 0.66 -0.54 1.09 -1.25 0.04 0.00 0.00 177.00 177.00 1r4y s PRO 66 N 2.45 1.77 -0.07 0.56 0.04 -1.23 -4.87 135.00 133.64 1r4y s PRO 66 Ca 0.60 0.79 0.03 0.00 0.04 0.00 0.00 61.00 62.47 1r4y s PRO 66 Cb -0.28 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1r4y s PRO 66 CO 0.24 -1.88 -0.16 0.21 0.04 0.00 0.00 177.00 175.45 1r4y s LYS 67 N -5.02 2.09 0.27 4.56 2.47 -1.21 -3.40 119.74 119.50 1r4y s LYS 67 Ca 0.62 -0.56 0.10 0.00 -1.56 0.00 0.00 55.97 54.57 1r4y s LYS 67 Cb -0.16 -1.67 -0.05 0.00 -1.46 0.00 0.00 37.83 34.49 1r4y s LYS 67 CO 0.56 0.09 -0.15 -1.58 0.16 0.00 0.00 175.35 174.43 1r4y s HIS 68 N 0.53 2.10 0.37 4.03 5.65 -1.20 -3.75 115.29 123.01 1r4y s HIS 68 Ca -0.15 -0.48 -0.07 0.00 0.25 0.00 0.00 55.06 54.61 1r4y s HIS 68 Cb -0.16 -1.02 0.02 0.00 -1.18 0.00 0.00 32.58 30.24 1r4y s HIS 68 CO 0.05 0.54 0.60 -1.12 -0.65 0.00 0.00 174.74 174.16 1r4y s SER 69 N -3.46 0.62 -1.38 9.88 0.01 -1.26 -4.75 113.70 113.35 1r4y s SER 69 Ca 0.28 -1.38 -0.11 0.00 1.31 0.00 0.00 55.95 56.05 1r4y s SER 69 Cb -0.01 0.74 0.10 0.00 0.21 0.00 0.00 66.02 67.06 1r4y s SER 69 CO 0.13 -1.46 2.10 0.29 0.41 0.00 0.00 173.24 174.71 1r4y n LYS 70 N -0.56 3.32 0.00 12.44 4.01 -1.26 -3.76 118.16 132.35 1r4y n LYS 70 Ca -0.03 -3.05 0.00 0.00 -0.51 0.00 0.00 58.31 54.72 1r4y n LYS 70 Cb 0.61 -3.07 0.00 0.00 -0.51 0.00 0.00 35.03 32.06 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 4.76 0.00 0.00 4.39 8.00 -1.26 -5.04 116.55 127.40 1r4y n ASP 71 Ca 0.48 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1r4y n ASP 71 Cb 0.36 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r4y n GLY 72 N -0.71 2.65 2.48 0.44 0.00 -1.25 -4.85 105.19 103.95 1r4y n GLY 72 Ca 0.00 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 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 2.09 0.00 1.61 0.23 -1.26 -4.45 115.26 113.48 1r4y n ASN 73 Ca 0.00 -3.15 0.00 0.00 -0.53 0.00 0.00 54.58 50.90 1r4y n ASN 73 Cb 0.00 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.13 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 0.02 -2.23 0.00 4.83 0.00 -1.26 -4.86 105.19 101.69 1r4y n GLY 74 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1r4y n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 75 N 0.00 0.00 -0.05 1.61 5.02 -1.26 -4.74 118.16 118.74 1r4y n LYS 75 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1r4y n LYS 75 Cb 0.00 -0.06 0.08 0.00 -0.02 0.00 0.00 35.03 35.03 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 1.43 -0.32 -0.18 5.66 -1.26 -5.05 114.28 114.56 1r4y n THR 76 Ca 0.00 -1.64 -0.07 0.00 -3.05 0.00 0.00 64.05 59.29 1r4y n THR 76 Cb 0.00 0.11 -0.04 0.00 -1.55 0.00 0.00 70.33 68.85 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 -0.98 -0.11 -3.48 1.09 8.00 -1.26 -4.67 116.55 115.14 1r4y n ASP 77 Ca 0.09 -0.03 -0.40 0.00 0.71 0.00 0.00 54.79 55.16 1r4y n ASP 77 Cb 0.48 -0.16 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 1r4y n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r4y n HIS 78 N 1.78 2.59 -3.34 1.24 1.44 -1.25 -4.70 115.22 112.98 1r4y n HIS 78 Ca 0.14 -2.85 -0.38 0.00 -2.01 0.00 0.00 57.72 52.62 1r4y n HIS 78 Cb 0.02 -1.92 -0.06 0.00 0.12 0.00 0.00 29.99 28.15 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 -0.70 3.69 0.11 -1.40 -0.85 -1.25 -3.32 117.35 113.64 1r4y s TYR 79 Ca 0.55 1.08 -0.31 0.00 -0.52 0.00 0.00 57.07 57.87 1r4y s TYR 79 Cb 0.18 -2.46 -0.08 0.00 0.38 0.00 0.00 41.96 39.98 1r4y s TYR 79 CO -0.09 0.47 1.48 -0.51 -1.52 0.00 0.00 175.55 175.38 1r4y s LEU 80 N -0.54 4.36 -0.06 -3.49 1.43 -1.26 -3.27 118.68 115.86 1r4y s LEU 80 Ca 0.27 2.41 0.06 0.00 -1.03 0.00 0.00 54.13 55.83 1r4y s LEU 80 Cb -0.17 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 1r4y s LEU 80 CO 0.15 -0.74 -0.23 -0.22 0.23 0.00 0.00 176.35 175.54 1r4y s LEU 81 N 1.44 2.04 0.35 1.79 2.96 -0.66 -0.05 118.68 126.55 1r4y s LEU 81 Ca 0.67 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 54.17 1r4y s LEU 81 Cb -0.39 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 1r4y s LEU 81 CO 0.30 0.22 0.44 -1.83 -1.32 0.00 0.00 176.35 174.17 1r4y s GLU 82 N -0.09 2.97 -0.10 1.98 1.03 -1.19 -3.02 118.70 120.28 1r4y s GLU 82 Ca -0.04 -1.12 -0.06 0.00 0.03 0.00 0.00 54.97 53.78 1r4y s GLU 82 Cb -0.13 -2.72 0.04 0.00 -0.80 0.00 0.00 34.13 30.51 1r4y s GLU 82 CO 0.04 0.01 0.24 0.12 -1.33 0.00 0.00 175.26 174.33 1r4y s PHE 83 N -2.24 -0.30 -0.49 4.83 5.36 -0.77 -3.56 117.98 120.81 1r4y s PHE 83 Ca 0.46 0.73 -0.28 0.00 -0.96 0.00 0.00 56.93 56.88 1r4y s PHE 83 Cb -0.09 0.05 -0.00 0.00 -0.34 0.00 0.00 43.02 42.64 1r4y s PHE 83 CO 0.30 -0.21 1.58 -1.25 -1.46 0.00 0.00 175.22 174.19 1r4y s PRO 84 N 1.05 3.24 -0.27 10.12 0.04 -1.26 -0.88 135.00 147.03 1r4y s PRO 84 Ca -0.08 0.80 -0.10 0.00 0.04 0.00 0.00 61.00 61.66 1r4y s PRO 84 Cb -0.09 -4.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.23 1r4y s PRO 84 CO -0.07 -2.00 0.17 -0.08 0.04 0.00 0.00 177.00 175.07 1r4y s THR 85 N 6.69 5.20 0.57 1.26 -1.32 -1.08 -4.82 115.64 122.14 1r4y s THR 85 Ca 0.63 0.13 -0.07 0.00 -1.21 0.00 0.00 61.69 61.17 1r4y s THR 85 Cb -0.14 -3.46 -0.01 0.00 -1.51 0.00 0.00 72.50 67.37 1r4y s THR 85 CO 0.28 0.28 0.90 -0.36 -2.21 0.00 0.00 174.62 173.51 1r4y s PHE 86 N 1.60 3.41 -0.02 9.09 0.40 -1.26 -4.76 117.98 126.44 1r4y s PHE 86 Ca 0.07 0.82 -0.21 0.00 -0.60 0.00 0.00 56.93 57.01 1r4y s PHE 86 Cb -0.15 -2.63 -0.27 0.00 0.51 0.00 0.00 43.02 40.47 1r4y s PHE 86 CO 0.09 -0.67 1.01 -1.00 0.70 0.00 0.00 175.22 175.34 1r4y h PRO 87 N -0.12 0.36 -0.73 0.24 0.13 -1.97 -3.09 132.00 126.83 1r4y h PRO 87 Ca -0.46 -0.48 0.21 0.00 -0.87 0.00 0.00 66.00 64.41 1r4y h PRO 87 Cb 1.23 0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 1r4y h PRO 87 CO 0.61 1.17 0.73 0.38 -0.23 0.00 0.00 178.00 180.66 1r4y h ASP 88 N -0.22 0.00 -0.19 1.44 3.04 -1.96 -3.42 116.42 115.10 1r4y h ASP 88 Ca -0.11 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.60 1r4y h ASP 88 Cb 1.47 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.73 1r4y h ASP 88 CO 0.14 0.00 -0.08 0.61 -2.04 0.00 0.00 179.24 177.87 1r4y n GLY 89 N -1.60 0.69 3.82 7.15 0.00 -1.17 -5.02 105.19 109.06 1r4y n GLY 89 Ca 0.15 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.09 3.49 0.27 1.61 -3.43 -1.26 -4.99 115.29 108.88 1r4y s HIS 90 Ca 0.00 1.50 -0.30 0.00 -0.80 0.00 0.00 55.06 55.46 1r4y s HIS 90 Cb 0.00 -2.73 -0.11 0.00 -1.43 0.00 0.00 32.58 28.31 1r4y s HIS 90 CO 0.00 0.11 1.56 0.34 -2.00 0.00 0.00 174.74 174.75 1r4y s ASP 91 N -1.96 6.46 -0.05 7.38 2.15 -1.26 -4.81 116.67 124.58 1r4y s ASP 91 Ca 0.53 2.84 -0.15 0.00 0.43 0.00 0.00 52.55 56.21 1r4y s ASP 91 Cb -0.13 -2.63 -0.05 0.00 -0.30 0.00 0.00 42.92 39.81 1r4y s ASP 91 CO 0.18 -0.85 0.40 -0.31 -0.17 0.00 0.00 175.17 174.42 1r4y s TYR 92 N 0.16 3.64 -1.00 -5.34 2.02 -1.26 -4.96 117.35 110.61 1r4y s TYR 92 Ca 0.63 0.90 -0.08 0.00 -0.37 0.00 0.00 57.07 58.16 1r4y s TYR 92 Cb -0.46 -2.34 -0.06 0.00 -0.40 0.00 0.00 41.96 38.69 1r4y s TYR 92 CO 0.44 0.49 2.19 0.36 -1.57 0.00 0.00 175.55 177.47 1r4y n LYS 93 N 2.46 2.23 0.19 -0.62 2.85 -1.26 -4.49 118.16 119.53 1r4y n LYS 93 Ca -0.12 -1.61 0.08 0.00 -1.05 0.00 0.00 58.31 55.61 1r4y n LYS 93 Cb 0.52 -2.56 0.29 0.00 -0.65 0.00 0.00 35.03 32.64 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 6.31 0.00 0.03 5.58 -5.15 -1.93 -3.19 116.94 118.59 1r4y h PHE 94 Ca 0.53 0.00 -0.28 0.00 -0.20 0.00 0.00 57.97 58.03 1r4y h PHE 94 Cb 0.23 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.37 1r4y h PHE 94 CO 1.87 0.30 -1.51 0.22 -2.00 0.00 0.00 178.31 177.19 1r4y h ASP 95 N 0.00 0.09 -3.04 -0.68 1.82 -1.84 0.37 116.42 113.14 1r4y h ASP 95 Ca -0.00 -0.14 -0.57 0.00 -0.39 0.00 0.00 57.03 55.92 1r4y h ASP 95 Cb 0.98 -0.03 -0.09 0.00 0.68 0.00 0.00 39.33 40.86 1r4y h ASP 95 CO 0.04 1.12 0.84 -0.55 -1.61 0.00 0.00 179.24 179.08 1r4y s SER 96 N -6.45 6.36 0.10 2.28 0.15 -1.20 -1.78 113.70 113.15 1r4y s SER 96 Ca -0.05 -0.18 -0.23 0.00 0.70 0.00 0.00 55.95 56.19 1r4y s SER 96 Cb 0.08 -2.51 -0.10 0.00 -1.71 0.00 0.00 66.02 61.78 1r4y s SER 96 CO 0.83 -1.46 1.71 0.07 1.20 0.00 0.00 173.24 175.59 1r4y h LYS 97 N 9.55 -0.09 -3.64 5.44 2.10 -1.83 -3.29 116.57 124.81 1r4y h LYS 97 Ca -0.26 0.01 -0.38 0.00 -2.00 0.00 0.00 60.65 58.02 1r4y h LYS 97 Cb 1.06 0.02 -0.36 0.00 -0.90 0.00 0.00 32.23 32.05 1r4y h LYS 97 CO 1.17 -0.06 -0.75 0.15 -2.00 0.00 0.00 179.45 177.96 1r4y s LYS 98 N -6.18 0.34 1.06 0.07 1.02 -1.26 -3.78 119.74 111.01 1r4y s LYS 98 Ca -0.14 0.14 -0.16 0.00 0.02 0.00 0.00 55.97 55.83 1r4y s LYS 98 Cb 0.07 -0.65 0.22 0.00 -0.52 0.00 0.00 37.83 36.96 1r4y s LYS 98 CO 0.67 -0.22 1.16 -1.25 -0.92 0.00 0.00 175.35 174.78 1r4y s PRO 99 N 1.53 -0.06 -0.09 -1.68 0.04 -1.26 -5.17 135.00 128.32 1r4y s PRO 99 Ca -0.02 0.01 -0.02 0.00 0.04 0.00 0.00 61.00 61.00 1r4y s PRO 99 Cb -0.13 -1.72 0.04 0.00 0.04 0.00 0.00 34.50 32.72 1r4y s PRO 99 CO -0.03 -2.95 0.04 0.21 0.04 0.00 0.00 177.00 174.30 1r4y s LYS 100 N -5.43 0.30 0.61 4.56 2.20 -1.25 -4.77 119.74 115.96 1r4y s LYS 100 Ca 0.69 0.12 -0.16 0.00 -0.36 0.00 0.00 55.97 56.26 1r4y s LYS 100 Cb -0.11 -1.06 -0.03 0.00 -1.51 0.00 0.00 37.83 35.13 1r4y s LYS 100 CO 0.55 -0.40 1.08 -2.00 -0.36 0.00 0.00 175.35 174.22 1r4y s GLU 101 N 2.05 3.17 -0.11 4.03 2.56 -1.26 -4.96 118.70 124.19 1r4y s GLU 101 Ca 0.04 1.30 -0.38 0.00 0.00 0.00 0.00 54.97 55.92 1r4y s GLU 101 Cb -0.13 -2.01 -0.16 0.00 2.00 0.00 0.00 34.13 33.83 1r4y s GLU 101 CO -0.05 -0.94 1.57 -1.71 -0.56 0.00 0.00 175.26 173.57 1r4y n ASN 102 N -2.06 2.11 -2.99 -1.70 2.85 -1.26 -4.99 115.26 107.22 1r4y n ASN 102 Ca 0.09 1.09 0.00 0.00 -0.11 0.00 0.00 54.58 55.65 1r4y n ASN 102 Cb 0.52 -1.17 0.00 0.00 1.24 0.00 0.00 39.78 40.37 1r4y n ASN 102 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r4y n PRO 103 N 4.16 0.02 -4.18 1.20 -0.04 -1.26 -5.11 135.00 129.80 1r4y n PRO 103 Ca 0.23 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1r4y n PRO 103 Cb 0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.52 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 -1.75 0.81 -0.06 0.55 0.00 -1.26 -5.08 107.32 100.53 1r4y s GLY 104 Ca 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 44.72 43.35 1r4y s GLY 104 CO 0.00 -1.41 0.29 -0.56 0.00 0.00 0.00 173.10 171.42 1r4y h PRO 105 N 3.12 -0.21 -6.71 2.90 0.13 -1.94 -3.45 132.00 125.84 1r4y h PRO 105 Ca -0.36 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.25 1r4y h PRO 105 Cb 1.18 0.05 0.08 0.00 0.13 0.00 0.00 31.00 32.43 1r4y h PRO 105 CO 0.61 -0.14 0.88 0.00 -0.23 0.00 0.00 178.00 179.12 1r4y n ALA 106 N -2.63 2.36 -2.98 -0.56 0.00 -1.26 -4.48 120.51 110.96 1r4y n ALA 106 Ca -0.03 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.70 1r4y n ALA 106 Cb 0.09 -2.45 -0.12 0.00 0.00 0.00 0.00 19.45 16.97 1r4y n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1r4y s ARG 107 N 0.05 0.26 -0.09 0.00 0.52 -0.50 -2.64 118.95 116.55 1r4y s ARG 107 Ca 0.69 -0.36 -0.29 0.00 -0.52 0.00 0.00 55.73 55.24 1r4y s ARG 107 Cb -0.53 0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.02 1r4y s ARG 107 CO 0.44 -0.05 0.98 0.54 0.02 0.00 0.00 175.30 177.23 1r4y s VAL 108 N -0.99 4.81 0.01 3.52 0.11 -0.06 -1.74 120.40 126.06 1r4y s VAL 108 Ca -0.11 2.00 -0.02 0.00 -2.93 0.00 0.00 61.98 60.93 1r4y s VAL 108 Cb -0.07 -4.30 -0.04 0.00 -1.53 0.00 0.00 36.38 30.45 1r4y s VAL 108 CO -0.00 0.04 0.18 -0.63 -3.33 0.00 0.00 175.10 171.36 1r4y s ILE 109 N 1.84 5.38 -0.27 7.04 -1.09 0.39 -1.85 121.20 132.64 1r4y s ILE 109 Ca 0.48 -0.24 -0.29 0.00 -2.23 0.00 0.00 60.65 58.37 1r4y s ILE 109 Cb -0.19 -3.54 0.18 0.00 -1.58 0.00 0.00 42.46 37.33 1r4y s ILE 109 CO 0.19 0.27 1.30 -0.72 -1.23 0.00 0.00 174.94 174.75 1r4y s TYR 110 N -1.37 -0.11 0.74 3.97 -0.85 -1.17 -0.82 117.35 117.74 1r4y s TYR 110 Ca 0.29 0.21 -0.10 0.00 -0.52 0.00 0.00 57.07 56.95 1r4y s TYR 110 Cb -0.13 0.48 0.05 0.00 0.38 0.00 0.00 41.96 42.74 1r4y s TYR 110 CO 0.21 -0.09 1.10 0.95 -1.52 0.00 0.00 175.55 176.20 1r4y s THR 111 N -0.83 2.69 0.16 -3.49 -4.23 -1.25 -1.66 115.64 107.04 1r4y s THR 111 Ca 0.07 0.11 0.09 0.00 -1.18 0.00 0.00 61.69 60.78 1r4y s THR 111 Cb -0.02 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 1r4y s THR 111 CO -0.07 -0.25 -0.16 -0.47 -0.54 0.00 0.00 174.62 173.13 1r4y s TYR 112 N -3.39 2.53 0.04 3.99 6.14 -1.20 -3.37 117.35 122.08 1r4y s TYR 112 Ca 0.60 -0.26 -0.18 0.00 0.64 0.00 0.00 57.07 57.86 1r4y s TYR 112 Cb -0.11 -1.28 -0.17 0.00 0.42 0.00 0.00 41.96 40.82 1r4y s TYR 112 CO 0.49 0.46 1.25 -1.00 0.64 0.00 0.00 175.55 177.39 1r4y h PRO 113 N 3.30 0.50 -5.76 4.97 0.13 -1.84 -3.38 132.00 129.93 1r4y h PRO 113 Ca -0.48 -0.37 -0.64 0.00 -0.87 0.00 0.00 66.00 63.64 1r4y h PRO 113 Cb 1.19 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1r4y h PRO 113 CO 0.50 1.00 1.48 0.09 -0.23 0.00 0.00 178.00 180.84 1r4y n ASN 114 N -4.29 1.42 -3.82 1.44 4.13 -1.26 -4.71 115.26 108.17 1r4y n ASN 114 Ca -0.07 0.34 -0.40 0.00 1.68 0.00 0.00 54.58 56.13 1r4y n ASN 114 Cb 0.55 -1.13 -0.07 0.00 -1.54 0.00 0.00 39.78 37.59 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 8.16 1.23 -1.38 3.52 5.02 -1.22 -4.09 118.16 129.40 1r4y n LYS 115 Ca 0.49 -1.82 -0.43 0.00 -2.02 0.00 0.00 58.31 54.53 1r4y n LYS 115 Cb 0.15 -3.04 -0.04 0.00 -0.02 0.00 0.00 35.03 32.08 1r4y n LYS 115 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r4y n VAL 116 N 6.62 2.43 -1.27 -0.18 0.31 -1.24 -4.81 118.33 120.19 1r4y n VAL 116 Ca 0.48 -2.13 -0.37 0.00 -0.01 0.00 0.00 64.34 62.31 1r4y n VAL 116 Cb 0.42 -2.43 -0.13 0.00 -0.91 0.00 0.00 33.84 30.80 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 7.03 0.52 0.13 3.52 7.35 -1.26 -3.76 117.46 131.00 1r4y n PHE 117 Ca 0.50 0.35 -0.24 0.00 -0.76 0.00 0.00 57.45 57.31 1r4y n PHE 117 Cb 0.40 -2.04 -0.16 0.00 0.35 0.00 0.00 39.48 38.04 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 1.74 -0.48 3.18 0.00 0.00 -1.22 -5.02 105.19 103.40 1r4y n GLY 119 Ca -0.18 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 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 1.21 0.05 -0.61 -1.09 -1.26 -0.46 121.20 115.04 1r4y s ILE 120 Ca 0.00 -1.27 0.01 0.00 -2.23 0.00 0.00 60.65 57.15 1r4y s ILE 120 Cb 0.00 -1.14 -0.03 0.00 -1.58 0.00 0.00 42.46 39.71 1r4y s ILE 120 CO 0.00 -0.14 -0.05 0.27 -1.23 0.00 0.00 174.94 173.79 1r4y s ILE 121 N -1.16 0.36 -0.19 2.92 -4.36 -0.71 0.25 121.20 118.30 1r4y s ILE 121 Ca 0.00 -1.40 -0.30 0.00 -0.26 0.00 0.00 60.65 58.69 1r4y s ILE 121 Cb -0.10 -0.97 0.15 0.00 1.25 0.00 0.00 42.46 42.80 1r4y s ILE 121 CO 0.02 -0.68 1.12 0.00 0.24 0.00 0.00 174.94 175.64 1r4y s ALA 122 N -2.54 -1.99 -0.79 2.27 0.00 -0.78 -1.40 121.76 116.52 1r4y s ALA 122 Ca -0.03 1.64 -0.20 0.00 0.00 0.00 0.00 51.96 53.37 1r4y s ALA 122 Cb -0.02 -0.81 0.10 0.00 0.00 0.00 0.00 23.12 22.40 1r4y s ALA 122 CO -0.04 -0.34 1.02 -1.01 0.00 0.00 0.00 175.76 175.39 1r4y s HIS 123 N -1.36 2.93 -0.63 0.00 0.09 -1.26 -3.06 115.29 112.00 1r4y s HIS 123 Ca 0.03 -1.02 -0.02 0.00 -0.00 0.00 0.00 55.06 54.05 1r4y s HIS 123 Cb -0.01 -4.26 0.39 0.00 -0.00 0.00 0.00 32.58 28.71 1r4y s HIS 123 CO -0.02 -1.53 2.05 -2.37 -0.00 0.00 0.00 174.74 172.87 1r4y n THR 124 N 5.67 3.50 -0.06 1.30 5.66 -1.26 -4.27 114.28 124.82 1r4y n THR 124 Ca 0.10 -2.88 -0.02 0.00 -3.05 0.00 0.00 64.05 58.20 1r4y n THR 124 Cb 0.47 -1.21 -0.14 0.00 -1.55 0.00 0.00 70.33 67.90 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 -0.64 0.97 0.10 1.09 4.81 -1.26 -5.00 118.16 118.23 1r4y n LYS 125 Ca 0.57 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1r4y n LYS 125 Cb 0.60 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 34.21 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 -2.46 0.00 0.00 1.64 0.00 -1.26 -5.03 120.64 113.53 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 0.09 0.00 0.00 0.00 177.13 177.22 1r4y n ASN 127 N -3.07 0.00 -2.77 4.31 3.02 -1.26 -5.04 115.26 110.45 1r4y n ASN 127 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1r4y n ASN 127 Cb 0.00 0.21 0.02 0.00 -0.61 0.00 0.00 39.78 39.41 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 0.64 0.00 3.52 6.02 -1.26 -4.81 117.38 119.46 1r4y n GLN 128 Ca 0.00 -1.94 0.00 0.00 -0.01 0.00 0.00 57.00 55.05 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 2.36 1.04 3.84 1.08 0.00 -1.26 -5.09 105.19 107.16 1r4y n GLY 129 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 1.19 3.94 0.11 1.61 2.02 -1.26 -4.98 118.70 121.33 1r4y s GLU 130 Ca 0.00 0.43 -0.12 0.00 0.02 0.00 0.00 54.97 55.31 1r4y s GLU 130 Cb 0.00 -3.20 -0.06 0.00 0.10 0.00 0.00 34.13 30.97 1r4y s GLU 130 CO 0.00 0.67 0.47 -1.17 0.02 0.00 0.00 175.26 175.25 1r4y s LEU 131 N -1.16 4.34 0.29 1.80 2.96 -1.26 -4.02 118.68 121.63 1r4y s LEU 131 Ca 0.25 0.91 -0.08 0.00 -0.22 0.00 0.00 54.13 54.99 1r4y s LEU 131 Cb -0.17 -3.13 -0.00 0.00 0.50 0.00 0.00 46.19 43.39 1r4y s LEU 131 CO 0.14 0.13 0.47 -1.59 -1.32 0.00 0.00 176.35 174.19 1r4y s LYS 132 N -1.98 1.71 0.19 1.98 -2.85 -1.17 -4.87 119.74 112.76 1r4y s LYS 132 Ca 0.36 -1.49 -0.27 0.00 -1.00 0.00 0.00 55.97 53.56 1r4y s LYS 132 Cb -0.14 0.46 -0.08 0.00 -2.06 0.00 0.00 37.83 36.00 1r4y s LYS 132 CO 0.19 -0.71 0.85 -1.17 0.10 0.00 0.00 175.35 174.61 1r4y s LEU 133 N -3.12 4.61 0.00 2.77 2.96 -1.26 -1.87 118.68 122.77 1r4y s LEU 133 Ca 0.26 1.77 -0.06 0.00 -0.22 0.00 0.00 54.13 55.88 1r4y s LEU 133 Cb -0.00 -3.43 0.09 0.00 0.50 0.00 0.00 46.19 43.35 1r4y s LEU 133 CO 0.14 0.18 0.30 0.00 -1.32 0.00 0.00 176.35 175.64 1r4y s SER 135 N -2.35 -1.15 0.00 0.00 0.01 -0.22 -4.89 113.70 105.09 1r4y s SER 135 Ca 0.20 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.52 1r4y s SER 135 Cb -0.02 2.10 0.00 0.00 0.21 0.00 0.00 66.02 68.31 1r4y s SER 135 CO 0.16 -0.22 0.00 1.41 0.41 0.00 0.00 173.24 175.00