#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 3.77 -0.26 0.00 0.11 -1.26 -4.89 120.40 117.88 1r4y s VAL 2 Ca 0.00 1.48 -0.20 0.00 -2.93 0.00 0.00 61.98 60.33 1r4y s VAL 2 Cb 0.00 -3.94 -0.02 0.00 -1.53 0.00 0.00 36.38 30.88 1r4y s VAL 2 CO 0.00 0.23 0.59 -0.89 -3.33 0.00 0.00 175.10 171.70 1r4y s THR 3 N -0.01 5.01 0.27 5.04 2.01 -1.26 -3.51 115.64 123.19 1r4y s THR 3 Ca 0.52 1.05 -0.29 0.00 0.31 0.00 0.00 61.69 63.28 1r4y s THR 3 Cb -0.31 -3.90 -0.09 0.00 0.01 0.00 0.00 72.50 68.21 1r4y s THR 3 CO 0.35 0.05 0.95 0.26 -0.69 0.00 0.00 174.62 175.53 1r4y s TRP 4 N 2.44 3.88 -0.05 4.92 0.52 -0.22 -4.25 118.94 126.18 1r4y s TRP 4 Ca 0.24 1.87 0.01 0.00 0.02 0.00 0.00 56.10 58.25 1r4y s TRP 4 Cb -0.16 -2.98 0.02 0.00 -1.15 0.00 0.00 33.47 29.21 1r4y s TRP 4 CO 0.09 0.34 -0.05 0.99 0.02 0.00 0.00 176.95 178.34 1r4y s THR 5 N -1.31 0.57 -0.55 2.01 2.01 -0.95 0.26 115.64 117.68 1r4y s THR 5 Ca 0.44 -0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.36 1r4y s THR 5 Cb -0.24 -0.59 0.28 0.00 0.01 0.00 0.00 72.50 71.95 1r4y s THR 5 CO 0.30 0.23 0.74 0.00 -0.69 0.00 0.00 174.62 175.20 1r4y n GLY 7 N 0.71 1.26 0.00 0.00 0.00 -1.26 -4.66 105.19 101.24 1r4y n GLY 7 Ca 0.28 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.81 3.45 -0.02 0.00 -1.26 -5.07 105.19 101.48 1r4y n GLY 8 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1r4y n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r4y s LEU 9 N -0.28 2.58 -0.18 0.99 1.02 -1.26 -5.12 118.68 116.43 1r4y s LEU 9 Ca 0.00 -0.34 -0.04 0.00 0.02 0.00 0.00 54.13 53.78 1r4y s LEU 9 Cb 0.00 -1.51 -0.02 0.00 0.02 0.00 0.00 46.19 44.68 1r4y s LEU 9 CO 0.00 0.30 -0.04 -0.76 0.02 0.00 0.00 176.35 175.87 1r4y s LEU 10 N -1.04 3.10 -0.34 1.79 1.02 -1.26 -3.42 118.68 118.52 1r4y s LEU 10 Ca 0.13 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 54.05 1r4y s LEU 10 Cb -0.10 -1.76 0.09 0.00 0.02 0.00 0.00 46.19 44.43 1r4y s LEU 10 CO 0.03 0.09 0.06 -0.31 0.02 0.00 0.00 176.35 176.23 1r4y s TYR 11 N 0.83 3.54 -0.05 0.29 2.02 0.14 -4.57 117.35 119.55 1r4y s TYR 11 Ca -0.01 -2.52 -0.34 0.00 -0.37 0.00 0.00 57.07 53.83 1r4y s TYR 11 Cb -0.15 -2.70 -0.12 0.00 -0.40 0.00 0.00 41.96 38.60 1r4y s TYR 11 CO 0.02 -0.92 1.84 -1.71 -1.57 0.00 0.00 175.55 173.21 1r4y n ASN 12 N 4.45 3.41 -0.24 2.29 4.05 -1.26 -1.06 115.26 126.90 1r4y n ASN 12 Ca -0.04 0.99 0.04 0.00 0.45 0.00 0.00 54.58 56.02 1r4y n ASN 12 Cb 0.42 -1.38 0.16 0.00 1.23 0.00 0.00 39.78 40.21 1r4y n ASN 12 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 1r4y h GLN 13 N 8.78 0.36 -0.96 1.20 5.75 -1.90 0.25 115.11 128.59 1r4y h GLN 13 Ca -0.48 -0.02 0.19 0.00 -0.15 0.00 0.00 58.65 58.18 1r4y h GLN 13 Cb 1.27 -0.08 -0.11 0.00 1.07 0.00 0.00 27.48 29.63 1r4y h GLN 13 CO 0.94 0.24 0.55 -0.97 -2.65 0.00 0.00 178.83 176.94 1r4y h ASN 14 N 0.37 0.68 -0.04 -0.69 -0.73 -1.88 0.47 115.58 113.76 1r4y h ASN 14 Ca 0.38 0.10 -0.16 0.00 1.87 0.00 0.00 56.30 58.50 1r4y h ASN 14 Cb 0.58 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 1r4y h ASN 14 CO -0.41 0.23 -0.52 0.11 -0.37 0.00 0.00 177.43 176.47 1r4y h LYS 15 N 0.69 0.62 -0.93 6.67 1.57 -0.97 0.47 116.57 124.69 1r4y h LYS 15 Ca 0.55 -0.37 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 1r4y h LYS 15 Cb 0.87 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.14 1r4y h LYS 15 CO -0.40 0.98 0.57 0.00 -0.57 0.00 0.00 179.45 180.04 1r4y h ALA 16 N 0.95 1.35 0.15 3.86 0.00 0.21 0.59 119.26 126.37 1r4y h ALA 16 Ca 0.02 0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 1r4y h ALA 16 Cb 1.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1r4y h ALA 16 CO 0.10 0.24 -1.76 1.05 0.00 0.00 0.00 179.25 178.87 1r4y h GLU 17 N 0.97 0.33 0.29 0.00 4.11 -1.00 -3.25 114.58 116.02 1r4y h GLU 17 Ca 0.44 -0.56 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 1r4y h GLU 17 Cb 0.35 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1r4y h GLU 17 CO -0.23 1.23 -0.14 1.03 0.07 0.00 0.00 179.01 180.96 1r4y h SER 18 N 0.09 -0.33 -1.29 3.06 0.87 0.13 0.59 113.55 116.66 1r4y h SER 18 Ca -0.34 -0.07 0.42 0.00 -1.23 0.00 0.00 61.79 60.57 1r4y h SER 18 Cb 2.07 0.09 -0.13 0.00 -0.44 0.00 0.00 62.40 63.99 1r4y h SER 18 CO 0.15 0.14 0.83 -1.13 -0.53 0.00 0.00 176.83 176.29 1r4y h ASN 19 N -1.07 0.26 0.76 6.23 -0.00 0.02 0.40 115.58 122.18 1r4y h ASN 19 Ca -0.04 0.14 -0.25 0.00 -0.00 0.00 0.00 56.30 56.14 1r4y h ASN 19 Cb 0.39 0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 38.80 1r4y h ASN 19 CO 0.07 -0.17 -1.24 0.77 -0.00 0.00 0.00 177.43 176.86 1r4y h SER 20 N 0.11 0.15 -1.00 1.15 4.64 -1.55 -3.25 113.55 113.80 1r4y h SER 20 Ca 0.80 -0.18 0.20 0.00 -0.47 0.00 0.00 61.79 62.14 1r4y h SER 20 Cb 2.47 -0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 64.41 1r4y h SER 20 CO -0.42 1.15 0.61 0.45 -0.87 0.00 0.00 176.83 177.75 1r4y h HIS 21 N 0.03 1.00 -0.01 4.77 3.86 0.46 -0.71 115.15 124.54 1r4y h HIS 21 Ca -0.12 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.02 1r4y h HIS 21 Cb 1.89 -0.30 0.01 0.00 1.06 0.00 0.00 27.41 30.07 1r4y h HIS 21 CO 0.02 0.20 -0.43 0.45 0.86 0.00 0.00 177.93 179.03 1r4y h HIS 22 N 0.69 0.46 -1.05 2.45 3.86 -1.61 -3.46 115.15 116.49 1r4y h HIS 22 Ca 0.58 -0.24 -0.72 0.00 -1.16 0.00 0.00 60.37 58.83 1r4y h HIS 22 Cb 1.00 -0.06 0.08 0.00 1.06 0.00 0.00 27.41 29.50 1r4y h HIS 22 CO -0.00 1.04 -0.22 0.00 0.86 0.00 0.00 177.93 179.60 1r4y n ALA 23 N -2.56 -3.14 -2.30 2.45 0.00 -0.28 -4.84 120.51 109.85 1r4y n ALA 23 Ca -0.10 0.51 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 1r4y n ALA 23 Cb 0.58 -1.70 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.51 4.25 -0.66 0.00 0.04 -1.26 -4.90 135.00 131.96 1r4y s PRO 24 Ca 0.77 1.83 -0.26 0.00 0.04 0.00 0.00 61.00 63.38 1r4y s PRO 24 Cb -1.08 -3.73 -0.11 0.00 0.04 0.00 0.00 34.50 29.62 1r4y s PRO 24 CO 0.56 -0.66 2.42 -0.11 0.04 0.00 0.00 177.00 179.25 1r4y n LEU 25 N 6.20 2.02 -3.91 -3.56 7.94 -1.26 -4.66 117.00 119.77 1r4y n LEU 25 Ca 0.14 -1.06 -0.01 0.00 -1.11 0.00 0.00 56.01 53.97 1r4y n LEU 25 Cb 0.44 -1.63 0.01 0.00 0.53 0.00 0.00 43.42 42.78 1r4y n LEU 25 CO 0.58 -2.18 0.93 -0.44 -1.11 0.00 0.00 177.39 175.16 1r4y s SER 26 N 11.49 0.00 -0.59 1.96 0.01 -1.26 -5.06 113.70 120.25 1r4y s SER 26 Ca 0.95 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 57.74 1r4y s SER 26 Cb -0.15 0.36 0.15 0.00 0.21 0.00 0.00 66.02 66.59 1r4y s SER 26 CO 0.16 -0.71 0.37 -0.62 0.41 0.00 0.00 173.24 172.85 1r4y s ASP 27 N -3.53 4.79 -0.19 2.44 2.15 -1.26 -4.20 116.67 116.86 1r4y s ASP 27 Ca 0.24 -3.03 -0.06 0.00 0.43 0.00 0.00 52.55 50.14 1r4y s ASP 27 Cb -0.02 -1.74 0.01 0.00 -0.30 0.00 0.00 42.92 40.87 1r4y s ASP 27 CO 0.03 -0.28 0.25 0.61 -0.17 0.00 0.00 175.17 175.61 1r4y n GLY 28 N 3.16 -0.91 1.29 2.66 0.00 -0.33 -4.54 105.19 106.53 1r4y n GLY 28 Ca 0.08 0.40 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.54 0.04 -4.40 1.61 4.76 -1.23 -4.99 118.16 113.41 1r4y n LYS 29 Ca 0.04 -1.53 -0.27 0.00 -2.87 0.00 0.00 58.31 53.68 1r4y n LYS 29 Cb 0.23 0.22 -0.13 0.00 -1.84 0.00 0.00 35.03 33.51 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 -0.05 2.03 0.23 -0.18 -4.23 -1.25 -5.03 115.64 107.17 1r4y s THR 30 Ca 0.17 -1.63 -0.15 0.00 -1.18 0.00 0.00 61.69 58.90 1r4y s THR 30 Cb 0.20 -1.81 0.27 0.00 1.34 0.00 0.00 72.50 72.51 1r4y s THR 30 CO -0.09 0.06 1.57 1.23 -0.54 0.00 0.00 174.62 176.85 1r4y h GLY 31 N 4.06 0.24 0.34 3.99 0.00 -1.50 -2.20 103.07 108.01 1r4y h GLY 31 Ca -0.49 0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1r4y h GLY 31 CO 0.40 -0.25 -0.16 0.23 0.00 0.00 0.00 176.54 176.75 1r4y h SER 32 N -0.04 -0.39 0.00 0.19 0.87 -1.46 -3.36 113.55 109.36 1r4y h SER 32 Ca 0.35 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1r4y h SER 32 Cb 0.61 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1r4y h SER 32 CO -0.89 -0.17 0.00 -1.20 -0.53 0.00 0.00 176.83 174.03 1r4y n SER 33 N -3.82 0.00 -4.75 6.23 7.64 -0.83 -5.02 113.62 113.07 1r4y n SER 33 Ca -0.06 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.45 1r4y n SER 33 Cb 0.18 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.42 1r4y n SER 33 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1r4y s TYR 34 N 0.00 2.38 0.78 1.43 1.51 -1.26 -3.53 117.35 118.66 1r4y s TYR 34 Ca 0.00 1.44 -0.11 0.00 -1.01 0.00 0.00 57.07 57.39 1r4y s TYR 34 Cb 0.00 -3.66 0.06 0.00 -0.11 0.00 0.00 41.96 38.25 1r4y s TYR 34 CO 0.00 -2.54 1.10 -1.25 -1.11 0.00 0.00 175.55 171.74 1r4y s PRO 35 N -3.01 2.21 0.25 -1.71 0.04 -1.26 -4.66 135.00 126.85 1r4y s PRO 35 Ca 0.73 0.63 0.02 0.00 0.04 0.00 0.00 61.00 62.42 1r4y s PRO 35 Cb -0.36 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1r4y s PRO 35 CO 0.42 -1.53 0.19 -3.38 0.04 0.00 0.00 177.00 172.74 1r4y s HIS 36 N -3.18 1.39 -0.02 0.56 -3.43 -0.93 -1.19 115.29 108.50 1r4y s HIS 36 Ca 0.60 -1.49 -0.30 0.00 -0.80 0.00 0.00 55.06 53.07 1r4y s HIS 36 Cb -0.14 -0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 30.36 1r4y s HIS 36 CO 0.54 -0.73 1.16 -0.46 -2.00 0.00 0.00 174.74 173.25 1r4y s TRP 37 N -3.88 3.34 -0.95 0.38 -0.00 -1.26 -1.57 118.94 115.00 1r4y s TRP 37 Ca 0.40 1.32 -0.14 0.00 -0.00 0.00 0.00 56.10 57.68 1r4y s TRP 37 Cb 0.05 -3.37 0.22 0.00 -0.00 0.00 0.00 33.47 30.37 1r4y s TRP 37 CO 0.18 -1.08 0.97 0.12 -0.00 0.00 0.00 176.95 177.15 1r4y s PHE 38 N 1.74 3.77 0.46 5.86 5.36 0.81 -4.77 117.98 131.22 1r4y s PHE 38 Ca 0.56 -2.09 0.35 0.00 -0.96 0.00 0.00 56.93 54.79 1r4y s PHE 38 Cb -0.25 -3.94 1.54 0.00 -0.34 0.00 0.00 43.02 40.02 1r4y s PHE 38 CO 0.24 -1.10 1.56 0.25 -1.46 0.00 0.00 175.22 174.72 1r4y n THR 39 N 3.95 -0.21 -0.97 0.12 -2.24 -1.26 -4.26 114.28 109.41 1r4y n THR 39 Ca 0.20 1.76 0.00 0.00 -2.27 0.00 0.00 64.05 63.74 1r4y n THR 39 Cb 0.45 -2.89 0.00 0.00 -2.10 0.00 0.00 70.33 65.79 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 -4.59 -4.05 0.00 3.42 5.15 -1.26 -0.95 115.26 112.98 1r4y n ASN 40 Ca 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1r4y n ASN 40 Cb 1.65 -2.03 0.00 0.00 -0.53 0.00 0.00 39.78 38.87 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 -0.98 1.61 3.72 8.20 0.00 -1.26 -4.22 105.19 112.25 1r4y n GLY 41 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1r4y n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r4y s TYR 42 N -2.14 2.32 -0.05 1.61 1.51 -0.12 -4.37 117.35 116.11 1r4y s TYR 42 Ca 0.00 1.15 -0.12 0.00 -1.01 0.00 0.00 57.07 57.09 1r4y s TYR 42 Cb 0.00 -3.20 -0.31 0.00 -0.11 0.00 0.00 41.96 38.34 1r4y s TYR 42 CO 0.00 -2.47 0.68 -0.44 -1.11 0.00 0.00 175.55 172.21 1r4y h ASP 43 N -1.60 0.62 0.00 2.29 5.19 -1.74 -3.45 116.42 117.72 1r4y h ASP 43 Ca -0.51 -0.93 0.00 0.00 -0.62 0.00 0.00 57.03 54.97 1r4y h ASP 43 Cb 1.30 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1r4y h ASP 43 CO 0.56 1.77 0.00 0.61 -3.12 0.00 0.00 179.24 179.06 1r4y n GLY 44 N 1.84 -0.05 1.28 2.75 0.00 -1.26 -5.03 105.19 104.72 1r4y n GLY 44 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1r4y n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r4y n ASP 45 N 0.00 0.53 -4.65 1.61 8.00 -1.26 -0.75 116.55 120.04 1r4y n ASP 45 Ca 0.00 0.16 -0.31 0.00 0.71 0.00 0.00 54.79 55.35 1r4y n ASP 45 Cb 0.00 -0.10 0.18 0.00 -0.02 0.00 0.00 41.12 41.18 1r4y n ASP 45 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1r4y s GLY 46 N -3.93 1.67 1.20 0.44 0.00 -1.26 -4.01 107.32 101.43 1r4y s GLY 46 Ca 0.00 0.49 -0.18 0.00 0.00 0.00 0.00 44.72 45.03 1r4y s GLY 46 CO 0.00 0.95 0.50 0.28 0.00 0.00 0.00 173.10 174.83 1r4y n LYS 47 N -4.35 -2.87 -1.31 2.90 5.02 -1.26 -3.96 118.16 112.34 1r4y n LYS 47 Ca 0.11 -0.84 -0.35 0.00 -2.02 0.00 0.00 58.31 55.21 1r4y n LYS 47 Cb 0.52 -1.76 0.09 0.00 -0.02 0.00 0.00 35.03 33.86 1r4y n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1r4y n LEU 48 N -3.21 3.51 -4.79 -0.35 4.32 -1.26 -4.26 117.00 110.96 1r4y n LEU 48 Ca 0.06 0.65 -0.31 0.00 -0.02 0.00 0.00 56.01 56.38 1r4y n LEU 48 Cb 0.52 -1.41 0.07 0.00 -1.62 0.00 0.00 43.42 40.97 1r4y n LEU 48 CO 0.41 -2.04 0.71 -2.16 -1.22 0.00 0.00 177.39 173.09 1r4y s PRO 49 N -3.45 2.61 -0.64 3.23 0.04 -1.26 -4.87 135.00 130.66 1r4y s PRO 49 Ca 0.73 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.64 1r4y s PRO 49 Cb -0.33 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.15 1r4y s PRO 49 CO 0.51 -1.37 2.46 1.17 0.04 0.00 0.00 177.00 179.81 1r4y n LYS 50 N -3.16 0.75 0.00 4.56 4.81 -1.26 -3.53 118.16 120.33 1r4y n LYS 50 Ca 0.09 -0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1r4y n LYS 50 Cb 0.53 -3.03 0.00 0.00 0.02 0.00 0.00 35.03 32.55 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 6.19 0.73 3.60 3.14 0.00 -1.26 -5.17 105.19 112.41 1r4y n GLY 51 Ca 0.45 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.62 0.40 -0.18 1.61 3.52 -1.23 -5.16 118.95 117.29 1r4y s ARG 52 Ca 0.00 -0.17 -0.04 0.00 -0.13 0.00 0.00 55.73 55.39 1r4y s ARG 52 Cb 0.00 0.17 0.06 0.00 -1.56 0.00 0.00 34.95 33.62 1r4y s ARG 52 CO 0.00 -0.18 0.05 0.99 -0.81 0.00 0.00 175.30 175.36 1r4y s THR 53 N -2.50 0.30 1.05 4.11 2.01 -1.26 -4.99 115.64 114.35 1r4y s THR 53 Ca 0.10 -0.40 -0.18 0.00 0.31 0.00 0.00 61.69 61.53 1r4y s THR 53 Cb 0.00 -0.85 0.26 0.00 0.01 0.00 0.00 72.50 71.92 1r4y s THR 53 CO -0.05 -0.22 1.02 -0.81 -0.69 0.00 0.00 174.62 173.87 1r4y n PRO 54 N 5.13 -2.54 -3.31 4.92 -0.04 -1.26 -4.95 135.00 132.96 1r4y n PRO 54 Ca -0.08 -1.61 -0.41 0.00 -0.04 0.00 0.00 63.50 61.35 1r4y n PRO 54 Cb 0.48 -1.41 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 1r4y n PRO 54 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1r4y s ILE 55 N -2.94 5.08 0.11 0.52 1.01 -1.26 -5.04 121.20 118.68 1r4y s ILE 55 Ca 0.64 0.11 -0.28 0.00 0.00 0.00 0.00 60.65 61.12 1r4y s ILE 55 Cb -0.05 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 1r4y s ILE 55 CO 0.48 -0.21 0.89 -0.75 0.00 0.00 0.00 174.94 175.35 1r4y s LYS 56 N 2.22 4.65 -0.01 2.79 2.36 -1.26 -4.92 119.74 125.57 1r4y s LYS 56 Ca 0.15 1.33 -0.02 0.00 -2.55 0.00 0.00 55.97 54.88 1r4y s LYS 56 Cb -0.16 -3.36 -0.01 0.00 -1.05 0.00 0.00 37.83 33.25 1r4y s LYS 56 CO 0.13 0.29 -0.04 1.19 1.55 0.00 0.00 175.35 178.46 1r4y n PHE 57 N 2.59 0.00 0.00 4.03 3.01 -1.26 -4.92 117.46 120.91 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 0.49 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 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 2.91 0.92 3.76 1.37 0.00 -1.26 -5.12 105.19 107.77 1r4y n GLY 58 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1r4y n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4y s LYS 59 N 0.00 4.26 0.00 1.61 -0.14 -1.26 -4.95 119.74 119.25 1r4y s LYS 59 Ca 0.00 0.59 0.19 0.00 -1.36 0.00 0.00 55.97 55.39 1r4y s LYS 59 Cb 0.00 -3.35 1.11 0.00 -1.68 0.00 0.00 37.83 33.91 1r4y s LYS 59 CO 0.00 0.36 1.58 -1.13 -0.76 0.00 0.00 175.35 175.40 1r4y n SER 60 N 2.85 0.00 -0.08 2.83 3.41 -1.26 -2.31 113.62 119.07 1r4y n SER 60 Ca -0.08 -1.01 -0.11 0.00 -0.26 0.00 0.00 58.87 57.41 1r4y n SER 60 Cb 0.51 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 1r4y n SER 60 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1r4y h ASP 61 N 0.00 0.00 0.58 4.04 3.32 -1.94 -3.03 116.42 119.39 1r4y h ASP 61 Ca 0.00 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 56.72 1r4y h ASP 61 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1r4y h ASP 61 CO 0.00 1.01 -0.58 0.00 -1.72 0.00 0.00 179.24 177.95 1r4y h ASP 63 N 0.00 0.86 -2.89 0.00 3.58 -1.65 -3.45 116.42 112.88 1r4y h ASP 63 Ca -0.01 -0.27 -0.50 0.00 0.42 0.00 0.00 57.03 56.68 1r4y h ASP 63 Cb 1.02 -0.23 0.22 0.00 1.72 0.00 0.00 39.33 42.06 1r4y h ASP 63 CO 0.07 0.99 -0.84 -2.11 -2.88 0.00 0.00 179.24 174.47 1r4y n ARG 64 N -4.16 -0.84 -2.19 0.28 1.85 -1.08 -4.91 116.66 105.62 1r4y n ARG 64 Ca 0.02 -0.21 -0.42 0.00 -1.00 0.00 0.00 57.85 56.23 1r4y n ARG 64 Cb 0.38 -1.76 -0.03 0.00 -1.05 0.00 0.00 32.46 30.00 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 -3.50 4.29 0.95 2.89 0.04 -1.26 -4.99 135.00 133.43 1r4y s PRO 65 Ca 0.56 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.50 1r4y s PRO 65 Cb -0.17 -3.49 0.16 0.00 0.04 0.00 0.00 34.50 31.05 1r4y s PRO 65 CO 0.67 -0.54 1.10 -1.25 0.04 0.00 0.00 177.00 177.02 1r4y s PRO 66 N 2.05 0.79 -0.47 0.56 0.04 -1.26 -4.89 135.00 131.83 1r4y s PRO 66 Ca 0.65 0.57 0.09 0.00 0.04 0.00 0.00 61.00 62.35 1r4y s PRO 66 Cb -0.33 -1.77 0.33 0.00 0.04 0.00 0.00 34.50 32.76 1r4y s PRO 66 CO 0.28 -2.50 0.81 1.17 0.04 0.00 0.00 177.00 176.80 1r4y n LYS 67 N -4.02 1.98 -1.59 4.56 3.00 -1.26 -4.38 118.16 116.45 1r4y n LYS 67 Ca 0.06 -4.06 -0.30 0.00 -0.00 0.00 0.00 58.31 54.01 1r4y n LYS 67 Cb 0.57 -1.93 0.09 0.00 0.00 0.00 0.00 35.03 33.76 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 -2.79 2.87 0.36 5.64 5.65 0.07 -3.97 115.29 123.12 1r4y s HIS 68 Ca 0.43 1.12 -0.02 0.00 0.25 0.00 0.00 55.06 56.85 1r4y s HIS 68 Cb 0.30 -3.13 0.01 0.00 -1.18 0.00 0.00 32.58 28.58 1r4y s HIS 68 CO -0.10 -1.73 0.50 0.43 -0.65 0.00 0.00 174.74 173.19 1r4y n SER 69 N -3.40 -1.40 -3.76 9.88 7.64 -1.26 -4.57 113.62 116.76 1r4y n SER 69 Ca 0.07 -2.91 -0.42 0.00 1.01 0.00 0.00 58.87 56.62 1r4y n SER 69 Cb 0.56 2.60 0.00 0.00 -1.01 0.00 0.00 64.21 66.37 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 -0.58 3.28 0.00 1.43 5.02 -1.26 -3.65 118.16 122.39 1r4y n LYS 70 Ca 0.00 -3.00 0.00 0.00 -2.02 0.00 0.00 58.31 53.29 1r4y n LYS 70 Cb 0.59 -3.09 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 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 4.88 0.00 0.00 4.39 8.00 -1.26 -5.07 116.55 127.49 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 0.37 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 -0.75 1.96 2.27 0.44 0.00 -1.24 -4.85 105.19 103.01 1r4y n GLY 72 Ca 0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 1r4y n GLY 72 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1r4y n ASN 73 N 0.00 -0.13 0.00 1.61 5.15 -1.26 -4.36 115.26 116.27 1r4y n ASN 73 Ca 0.00 -2.62 0.00 0.00 -0.60 0.00 0.00 54.58 51.36 1r4y n ASN 73 Cb 0.00 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.72 1r4y n ASN 73 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1r4y n GLY 74 N 1.83 -2.03 0.00 8.20 0.00 -1.26 -4.75 105.19 107.18 1r4y n GLY 74 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.44 1.61 5.02 -1.26 -4.69 118.16 118.40 1r4y n LYS 75 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1r4y n LYS 75 Cb 0.00 -0.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.57 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 0.53 -0.04 -0.18 5.66 -1.26 -5.07 114.28 113.92 1r4y n THR 76 Ca 0.00 -0.69 -0.01 0.00 -3.05 0.00 0.00 64.05 60.30 1r4y n THR 76 Cb 0.00 0.32 -0.01 0.00 -1.55 0.00 0.00 70.33 69.09 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 -0.37 -0.04 -1.73 1.09 9.92 -1.25 -4.70 116.55 119.47 1r4y n ASP 77 Ca 0.05 -0.01 -0.14 0.00 -0.53 0.00 0.00 54.79 54.16 1r4y n ASP 77 Cb 0.71 -0.01 0.12 0.00 -0.64 0.00 0.00 41.12 41.29 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 0.15 1.85 -0.38 1.24 1.44 -1.26 -4.64 115.22 113.62 1r4y n HIS 78 Ca 0.02 -1.28 -0.28 0.00 -2.01 0.00 0.00 57.72 54.17 1r4y n HIS 78 Cb 0.00 -0.66 0.25 0.00 0.12 0.00 0.00 29.99 29.71 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 -0.46 -2.75 -3.61 -1.40 4.11 -1.26 -4.08 117.16 107.71 1r4y n TYR 79 Ca 0.36 -0.43 -0.27 0.00 -0.00 0.00 0.00 57.90 57.55 1r4y n TYR 79 Cb 1.20 -1.45 -0.03 0.00 -0.00 0.00 0.00 39.34 39.06 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 -5.76 4.18 -0.04 -3.48 1.43 -1.26 -0.98 118.68 112.78 1r4y s LEU 80 Ca 0.61 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.16 1r4y s LEU 80 Cb -0.14 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1r4y s LEU 80 CO 0.56 -0.09 0.07 -0.76 0.23 0.00 0.00 176.35 176.36 1r4y s LEU 81 N -3.44 0.89 0.18 1.79 1.43 -0.05 -0.13 118.68 119.35 1r4y s LEU 81 Ca 0.39 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1r4y s LEU 81 Cb -0.11 0.07 -0.04 0.00 0.03 0.00 0.00 46.19 46.14 1r4y s LEU 81 CO 0.30 -0.14 0.33 -1.83 0.23 0.00 0.00 176.35 175.23 1r4y s GLU 82 N 1.19 3.46 -0.10 1.70 1.03 -0.61 -2.87 118.70 122.51 1r4y s GLU 82 Ca -0.08 -0.54 -0.05 0.00 0.03 0.00 0.00 54.97 54.33 1r4y s GLU 82 Cb -0.13 -2.91 0.05 0.00 -0.80 0.00 0.00 34.13 30.34 1r4y s GLU 82 CO -0.04 0.46 0.24 0.12 -1.33 0.00 0.00 175.26 174.71 1r4y s PHE 83 N -1.83 -0.32 -0.48 4.83 5.36 -0.95 -2.19 117.98 122.40 1r4y s PHE 83 Ca 0.36 0.76 -0.28 0.00 -0.96 0.00 0.00 56.93 56.81 1r4y s PHE 83 Cb -0.11 0.03 -0.01 0.00 -0.34 0.00 0.00 43.02 42.60 1r4y s PHE 83 CO 0.29 -0.23 1.64 -1.25 -1.46 0.00 0.00 175.22 174.21 1r4y s PRO 84 N 1.28 3.18 -0.31 10.12 0.04 -1.26 -1.17 135.00 146.88 1r4y s PRO 84 Ca -0.09 0.86 -0.09 0.00 0.04 0.00 0.00 61.00 61.73 1r4y s PRO 84 Cb -0.11 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1r4y s PRO 84 CO -0.08 -2.06 0.13 -0.08 0.04 0.00 0.00 177.00 174.95 1r4y s THR 85 N 6.97 4.34 0.54 1.26 -1.32 -1.21 -4.88 115.64 121.35 1r4y s THR 85 Ca 0.66 -0.56 -0.11 0.00 -1.21 0.00 0.00 61.69 60.47 1r4y s THR 85 Cb -0.15 -3.24 -0.05 0.00 -1.51 0.00 0.00 72.50 67.55 1r4y s THR 85 CO 0.28 0.05 0.94 -0.36 -2.21 0.00 0.00 174.62 173.32 1r4y s PHE 86 N 1.56 3.56 0.08 9.09 0.40 -1.26 -4.82 117.98 126.58 1r4y s PHE 86 Ca 0.04 1.21 -0.12 0.00 -0.60 0.00 0.00 56.93 57.46 1r4y s PHE 86 Cb -0.17 -2.62 -0.23 0.00 0.51 0.00 0.00 43.02 40.51 1r4y s PHE 86 CO 0.05 -0.46 1.18 -1.00 0.70 0.00 0.00 175.22 175.68 1r4y h PRO 87 N 0.28 0.60 -1.47 0.24 0.13 -1.95 -3.18 132.00 126.65 1r4y h PRO 87 Ca -0.46 -0.71 0.43 0.00 -0.87 0.00 0.00 66.00 64.39 1r4y h PRO 87 Cb 1.19 0.22 -0.07 0.00 0.13 0.00 0.00 31.00 32.47 1r4y h PRO 87 CO 0.62 1.30 1.05 -0.44 -0.23 0.00 0.00 178.00 180.30 1r4y h ASP 88 N 0.31 0.04 0.00 1.44 3.32 -1.95 -3.45 116.42 116.13 1r4y h ASP 88 Ca -0.14 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1r4y h ASP 88 Cb 1.77 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.33 1r4y h ASP 88 CO 0.21 -0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.33 1r4y n GLY 89 N -1.80 1.33 3.71 2.75 0.00 -1.20 -5.01 105.19 104.98 1r4y n GLY 89 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 1r4y n GLY 89 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1r4y n HIS 90 N -2.00 2.72 -1.69 1.61 1.44 -1.26 -4.86 115.22 111.19 1r4y n HIS 90 Ca 0.00 0.01 -0.30 0.00 -2.01 0.00 0.00 57.72 55.43 1r4y n HIS 90 Cb 0.00 -2.68 -0.04 0.00 0.12 0.00 0.00 29.99 27.39 1r4y n HIS 90 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1r4y s ASP 91 N 1.41 4.49 0.24 4.39 -1.08 -1.26 -4.74 116.67 120.12 1r4y s ASP 91 Ca 0.76 0.53 -0.23 0.00 -0.52 0.00 0.00 52.55 53.10 1r4y s ASP 91 Cb -0.51 -2.52 -0.15 0.00 -1.46 0.00 0.00 42.92 38.28 1r4y s ASP 91 CO 0.33 -3.05 0.33 0.00 0.52 0.00 0.00 175.17 173.31 1r4y n TYR 92 N 15.93 -0.94 -1.07 -5.34 9.36 -1.26 -4.77 117.16 129.08 1r4y n TYR 92 Ca 0.37 0.76 -0.28 0.00 3.32 0.00 0.00 57.90 62.07 1r4y n TYR 92 Cb 0.51 -1.69 -0.06 0.00 -0.63 0.00 0.00 39.34 37.47 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 1.00 2.83 0.00 2.98 2.85 -1.26 -4.46 118.16 122.09 1r4y n LYS 93 Ca 0.14 -1.68 0.08 0.00 -1.05 0.00 0.00 58.31 55.80 1r4y n LYS 93 Cb 0.27 -2.49 0.36 0.00 -0.65 0.00 0.00 35.03 32.52 1r4y n LYS 93 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1r4y n PHE 94 N 3.44 0.00 -0.03 5.58 1.16 -1.26 -3.06 117.46 123.29 1r4y n PHE 94 Ca 0.60 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 56.01 1r4y n PHE 94 Cb 0.36 -0.46 -0.14 0.00 -1.61 0.00 0.00 39.48 37.63 1r4y n PHE 94 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1r4y n ASP 95 N -1.46 1.72 -4.58 5.98 2.03 -1.26 -1.75 116.55 117.22 1r4y n ASP 95 Ca 0.05 0.19 -0.42 0.00 0.52 0.00 0.00 54.79 55.13 1r4y n ASP 95 Cb 0.18 -0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 40.03 1r4y n ASP 95 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1r4y s SER 96 N -6.68 6.12 0.10 1.67 0.01 -1.17 -3.23 113.70 110.53 1r4y s SER 96 Ca -0.20 0.45 -0.22 0.00 1.31 0.00 0.00 55.95 57.29 1r4y s SER 96 Cb 0.07 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 1r4y s SER 96 CO 0.76 -1.68 1.73 0.07 0.41 0.00 0.00 173.24 174.53 1r4y h LYS 97 N 11.24 0.01 -3.04 12.44 2.10 -1.85 -3.34 116.57 134.13 1r4y h LYS 97 Ca -0.27 -0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.15 1r4y h LYS 97 Cb 1.10 -0.00 -0.32 0.00 -0.90 0.00 0.00 32.23 32.11 1r4y h LYS 97 CO 1.15 0.01 -0.54 0.21 -2.00 0.00 0.00 179.45 178.28 1r4y s LYS 98 N -6.19 0.14 1.15 0.07 2.36 -1.26 -3.96 119.74 112.04 1r4y s LYS 98 Ca -0.13 0.56 -0.18 0.00 -2.55 0.00 0.00 55.97 53.67 1r4y s LYS 98 Cb 0.08 -0.14 0.26 0.00 -1.05 0.00 0.00 37.83 36.98 1r4y s LYS 98 CO 0.67 -0.22 1.11 -1.25 1.55 0.00 0.00 175.35 177.22 1r4y s PRO 99 N 1.68 -0.81 -0.04 4.03 0.04 -1.26 -5.18 135.00 133.46 1r4y s PRO 99 Ca -0.05 0.05 -0.02 0.00 0.04 0.00 0.00 61.00 61.02 1r4y s PRO 99 Cb -0.11 -1.63 0.03 0.00 0.04 0.00 0.00 34.50 32.82 1r4y s PRO 99 CO -0.08 -3.46 0.09 0.21 0.04 0.00 0.00 177.00 173.80 1r4y s LYS 100 N -5.32 0.04 0.99 4.56 2.20 -1.25 -4.73 119.74 116.22 1r4y s LYS 100 Ca 0.70 0.25 -0.13 0.00 -0.36 0.00 0.00 55.97 56.42 1r4y s LYS 100 Cb -0.12 -0.15 0.18 0.00 -1.51 0.00 0.00 37.83 36.23 1r4y s LYS 100 CO 0.56 -0.13 1.12 -2.00 -0.36 0.00 0.00 175.35 174.54 1r4y s GLU 101 N 0.88 0.53 0.65 4.03 2.12 -1.26 -5.02 118.70 120.62 1r4y s GLU 101 Ca -0.07 0.34 -0.17 0.00 0.36 0.00 0.00 54.97 55.43 1r4y s GLU 101 Cb -0.09 -1.76 -0.01 0.00 0.26 0.00 0.00 34.13 32.52 1r4y s GLU 101 CO -0.04 -2.62 1.19 1.21 -0.54 0.00 0.00 175.26 174.46 1r4y s ASN 102 N -3.76 4.87 0.48 -1.70 2.47 -1.26 -5.04 114.94 111.00 1r4y s ASN 102 Ca 0.65 2.31 0.00 0.00 0.42 0.00 0.00 52.86 56.25 1r4y s ASN 102 Cb -0.16 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.05 1r4y s ASN 102 CO 0.56 -1.80 0.00 -0.81 -3.72 0.00 0.00 177.10 171.32 1r4y n PRO 103 N -2.07 0.19 -4.02 0.43 -0.04 -1.26 -5.06 135.00 123.17 1r4y n PRO 103 Ca 0.13 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 1r4y n PRO 103 Cb 0.50 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.86 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 -1.80 0.34 -0.02 0.55 0.00 -1.26 -5.09 107.32 100.04 1r4y s GLY 104 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.77 1r4y s GLY 104 CO 0.00 -1.04 0.24 -0.56 0.00 0.00 0.00 173.10 171.74 1r4y h PRO 105 N 3.45 -0.07 -6.91 2.90 0.13 -1.95 -3.46 132.00 126.09 1r4y h PRO 105 Ca -0.33 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.26 1r4y h PRO 105 Cb 1.17 0.02 0.10 0.00 0.13 0.00 0.00 31.00 32.41 1r4y h PRO 105 CO 0.58 -0.05 0.80 0.00 -0.23 0.00 0.00 178.00 179.11 1r4y s ALA 106 N -3.07 3.61 -0.03 -0.56 0.00 -1.26 -4.58 121.76 115.87 1r4y s ALA 106 Ca -0.01 1.56 -0.06 0.00 0.00 0.00 0.00 51.96 53.46 1r4y s ALA 106 Cb 0.00 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1r4y s ALA 106 CO 0.03 -1.03 0.13 1.03 0.00 0.00 0.00 175.76 175.93 1r4y s ARG 107 N -1.69 0.29 -0.15 0.00 0.52 -0.28 -3.33 118.95 114.31 1r4y s ARG 107 Ca 0.55 -0.05 -0.27 0.00 -0.52 0.00 0.00 55.73 55.44 1r4y s ARG 107 Cb -0.47 0.13 -0.01 0.00 0.52 0.00 0.00 34.95 35.12 1r4y s ARG 107 CO 0.59 -0.06 0.91 0.54 0.02 0.00 0.00 175.30 177.30 1r4y s VAL 108 N -0.52 4.83 -0.11 3.52 0.11 -0.32 -1.31 120.40 126.60 1r4y s VAL 108 Ca -0.06 1.81 -0.04 0.00 -2.93 0.00 0.00 61.98 60.76 1r4y s VAL 108 Cb -0.04 -4.21 -0.04 0.00 -1.53 0.00 0.00 36.38 30.56 1r4y s VAL 108 CO 0.01 0.00 0.05 -0.63 -3.33 0.00 0.00 175.10 171.19 1r4y s ILE 109 N 2.19 4.69 -0.04 7.04 -1.09 -0.70 -2.24 121.20 131.05 1r4y s ILE 109 Ca 0.42 -0.10 -0.29 0.00 -2.23 0.00 0.00 60.65 58.46 1r4y s ILE 109 Cb -0.17 -3.01 0.10 0.00 -1.58 0.00 0.00 42.46 37.80 1r4y s ILE 109 CO 0.14 0.59 0.85 -0.72 -1.23 0.00 0.00 174.94 174.57 1r4y s TYR 110 N -0.76 -0.43 0.42 3.97 -0.85 -1.14 -0.63 117.35 117.93 1r4y s TYR 110 Ca 0.12 0.52 -0.02 0.00 -0.52 0.00 0.00 57.07 57.17 1r4y s TYR 110 Cb -0.12 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.69 1r4y s TYR 110 CO 0.03 -0.53 0.67 0.95 -1.52 0.00 0.00 175.55 175.14 1r4y s THR 111 N -2.24 4.81 0.18 -3.49 -4.23 -1.24 -0.87 115.64 108.56 1r4y s THR 111 Ca -0.00 -0.20 0.06 0.00 -1.18 0.00 0.00 61.69 60.37 1r4y s THR 111 Cb -0.01 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 1r4y s THR 111 CO -0.03 -0.63 0.09 -0.47 -0.54 0.00 0.00 174.62 173.04 1r4y s TYR 112 N -2.54 3.02 -0.06 3.99 6.14 -0.15 -2.99 117.35 124.76 1r4y s TYR 112 Ca 0.45 -0.08 -0.21 0.00 0.64 0.00 0.00 57.07 57.86 1r4y s TYR 112 Cb -0.10 -1.44 -0.16 0.00 0.42 0.00 0.00 41.96 40.68 1r4y s TYR 112 CO 0.40 0.53 0.87 -1.00 0.64 0.00 0.00 175.55 176.99 1r4y h PRO 113 N 2.35 -0.17 -5.77 4.97 0.13 -1.86 -3.39 132.00 128.27 1r4y h PRO 113 Ca -0.47 0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 64.00 1r4y h PRO 113 Cb 1.21 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1r4y h PRO 113 CO 0.61 0.29 1.46 -1.71 -0.23 0.00 0.00 178.00 178.42 1r4y n ASN 114 N -4.89 1.13 -4.57 1.44 5.15 -1.26 -4.71 115.26 107.55 1r4y n ASN 114 Ca -0.08 0.44 -0.17 0.00 -0.60 0.00 0.00 54.58 54.17 1r4y n ASN 114 Cb 0.27 -1.04 -0.08 0.00 -0.53 0.00 0.00 39.78 38.39 1r4y n ASN 114 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1r4y s LYS 115 N 6.81 1.62 -1.41 1.20 1.02 -1.21 -4.32 119.74 123.46 1r4y s LYS 115 Ca 1.19 -0.11 -0.11 0.00 0.02 0.00 0.00 55.97 56.96 1r4y s LYS 115 Cb -1.20 -4.94 0.07 0.00 -0.52 0.00 0.00 37.83 31.25 1r4y s LYS 115 CO 0.56 -4.71 2.22 0.28 -0.92 0.00 0.00 175.35 172.78 1r4y n VAL 116 N 8.70 4.06 -1.24 3.17 0.31 -1.16 -4.81 118.33 127.36 1r4y n VAL 116 Ca 0.44 -3.57 -0.38 0.00 -0.01 0.00 0.00 64.34 60.82 1r4y n VAL 116 Cb 0.45 -2.47 -0.12 0.00 -0.91 0.00 0.00 33.84 30.79 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 4.54 0.58 0.13 3.52 7.35 -1.26 -3.60 117.46 128.72 1r4y n PHE 117 Ca 0.52 0.39 0.03 0.00 -0.76 0.00 0.00 57.45 57.64 1r4y n PHE 117 Cb 0.34 -2.02 0.02 0.00 0.35 0.00 0.00 39.48 38.17 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 1.24 0.38 3.22 0.00 0.00 -1.22 -4.90 105.19 103.90 1r4y n GLY 119 Ca 0.00 -1.31 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 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 1.44 0.07 -0.61 -1.09 -1.26 -1.73 121.20 114.02 1r4y s ILE 120 Ca 0.00 -1.32 0.02 0.00 -2.23 0.00 0.00 60.65 57.12 1r4y s ILE 120 Cb 0.00 -1.31 -0.03 0.00 -1.58 0.00 0.00 42.46 39.53 1r4y s ILE 120 CO 0.00 -0.04 -0.07 0.27 -1.23 0.00 0.00 174.94 173.87 1r4y s ILE 121 N -1.06 0.58 0.00 2.92 -4.36 -0.43 0.16 121.20 119.01 1r4y s ILE 121 Ca 0.04 -1.50 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 1r4y s ILE 121 Cb -0.09 -1.13 0.00 0.00 1.25 0.00 0.00 42.46 42.49 1r4y s ILE 121 CO 0.03 -0.64 0.00 0.00 0.24 0.00 0.00 174.94 174.57 1r4y n ALA 122 N 0.72 0.00 -2.86 2.27 0.00 -0.23 -1.13 120.51 119.28 1r4y n ALA 122 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 1r4y n ALA 122 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1r4y n ALA 122 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1r4y s HIS 123 N -0.14 2.86 -0.64 0.00 -3.43 -1.26 -2.87 115.29 109.82 1r4y s HIS 123 Ca 0.00 -0.96 -0.00 0.00 -0.80 0.00 0.00 55.06 53.30 1r4y s HIS 123 Cb 0.00 -4.32 0.43 0.00 -1.43 0.00 0.00 32.58 27.26 1r4y s HIS 123 CO 0.00 -1.60 1.87 0.25 -2.00 0.00 0.00 174.74 173.26 1r4y n THR 124 N 5.81 3.41 -0.07 -5.38 -2.24 -1.26 -4.38 114.28 110.17 1r4y n THR 124 Ca 0.12 -3.45 -0.19 0.00 -2.27 0.00 0.00 64.05 58.26 1r4y n THR 124 Cb 0.48 -1.18 -0.13 0.00 -2.10 0.00 0.00 70.33 67.40 1r4y n THR 124 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1r4y n LYS 125 N -0.80 0.70 0.00 -0.78 4.81 -1.26 -5.02 118.16 115.81 1r4y n LYS 125 Ca 0.58 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1r4y n LYS 125 Cb 0.63 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 34.07 1r4y n LYS 125 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1r4y n GLU 126 N -3.34 0.00 -0.96 1.64 1.02 -1.26 -4.97 120.64 112.77 1r4y n GLU 126 Ca -0.39 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.69 1r4y n GLU 126 Cb 1.02 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.38 1r4y n GLU 126 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1r4y n ASN 127 N 0.00 -0.76 -2.98 1.62 4.13 -1.26 -5.05 115.26 110.96 1r4y n ASN 127 Ca 0.00 -1.88 0.02 0.00 1.68 0.00 0.00 54.58 54.40 1r4y n ASN 127 Cb 0.00 0.23 -0.00 0.00 -1.54 0.00 0.00 39.78 38.47 1r4y n ASN 127 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1r4y s GLN 128 N 0.00 0.41 0.00 3.52 -0.21 -1.26 -5.11 119.66 117.01 1r4y s GLN 128 Ca 0.02 -0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.33 1r4y s GLN 128 Cb 0.02 0.07 0.00 0.00 1.00 0.00 0.00 33.01 34.10 1r4y s GLN 128 CO -0.01 -0.62 0.00 0.41 -2.12 0.00 0.00 175.29 172.95 1r4y n GLY 129 N 4.20 1.05 2.48 3.09 0.00 -1.26 -4.98 105.19 109.77 1r4y n GLY 129 Ca 0.08 0.52 -0.30 0.00 0.00 0.00 0.00 46.02 46.32 1r4y n GLY 129 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1r4y n GLU 130 N 0.00 0.00 -1.21 1.61 0.28 -1.26 -4.65 120.64 115.42 1r4y n GLU 130 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 1r4y n GLU 130 Cb 0.00 -0.77 0.12 0.00 1.43 0.00 0.00 31.44 32.22 1r4y n GLU 130 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1r4y n LEU 131 N 2.06 4.64 -4.14 -1.84 7.99 -1.26 -4.52 117.00 119.92 1r4y n LEU 131 Ca 0.05 0.63 -0.16 0.00 -0.01 0.00 0.00 56.01 56.51 1r4y n LEU 131 Cb 0.37 -1.51 -0.11 0.00 -0.11 0.00 0.00 43.42 42.06 1r4y n LEU 131 CO 0.42 -1.60 -0.43 -1.59 -1.51 0.00 0.00 177.39 172.67 1r4y s LYS 132 N -3.97 0.75 0.14 3.23 -2.85 -1.14 -4.75 119.74 111.15 1r4y s LYS 132 Ca 0.75 -0.96 -0.34 0.00 -1.00 0.00 0.00 55.97 54.42 1r4y s LYS 132 Cb -0.31 -0.61 -0.14 0.00 -2.06 0.00 0.00 37.83 34.71 1r4y s LYS 132 CO 0.49 0.12 1.55 -0.11 0.10 0.00 0.00 175.35 177.51 1r4y n LEU 133 N 1.14 2.90 0.00 2.77 7.94 -1.26 -1.07 117.00 129.41 1r4y n LEU 133 Ca -0.20 1.09 -0.12 0.00 -1.11 0.00 0.00 56.01 55.67 1r4y n LEU 133 Cb 0.55 -1.39 0.10 0.00 0.53 0.00 0.00 43.42 43.21 1r4y n LEU 133 CO 0.23 -0.39 0.20 0.00 -1.11 0.00 0.00 177.39 176.32 1r4y s SER 135 N -2.57 -0.88 0.00 0.00 0.01 -0.68 -4.92 113.70 104.67 1r4y s SER 135 Ca 0.27 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.92 1r4y s SER 135 Cb -0.03 1.61 0.00 0.00 0.21 0.00 0.00 66.02 67.80 1r4y s SER 135 CO 0.21 -0.23 0.28 1.41 0.41 0.00 0.00 173.24 175.32