#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4y n VAL 2 N 0.00 1.54 -3.19 0.00 3.14 -1.26 -4.28 118.33 114.29 1r4y n VAL 2 Ca 0.00 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.45 1r4y n VAL 2 Cb 0.00 -0.14 -0.07 0.00 -1.06 0.00 0.00 33.84 32.57 1r4y n VAL 2 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1r4y s THR 3 N -1.28 4.93 0.35 1.55 2.01 -1.26 -1.73 115.64 120.22 1r4y s THR 3 Ca 0.62 0.07 -0.26 0.00 0.31 0.00 0.00 61.69 62.43 1r4y s THR 3 Cb -0.78 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 67.53 1r4y s THR 3 CO 0.59 -0.46 1.05 0.26 -0.69 0.00 0.00 174.62 175.36 1r4y s TRP 4 N 2.56 3.43 0.03 4.92 0.52 0.19 -4.58 118.94 126.01 1r4y s TRP 4 Ca 0.19 1.69 -0.09 0.00 0.02 0.00 0.00 56.10 57.91 1r4y s TRP 4 Cb -0.15 -3.15 0.00 0.00 -1.15 0.00 0.00 33.47 29.02 1r4y s TRP 4 CO 0.16 -0.48 0.17 0.99 0.02 0.00 0.00 176.95 177.82 1r4y s THR 5 N -1.48 0.10 0.00 2.01 2.01 -1.26 -0.10 115.64 116.92 1r4y s THR 5 Ca 0.52 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1r4y s THR 5 Cb -0.25 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1r4y s THR 5 CO 0.31 -0.47 0.00 0.00 -0.69 0.00 0.00 174.62 173.78 1r4y n GLY 7 N 3.35 6.01 3.47 0.00 0.00 -1.26 -4.75 105.19 112.01 1r4y n GLY 7 Ca 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.15 1.07 3.76 -0.02 0.00 -1.26 -5.00 105.19 103.59 1r4y n GLY 8 Ca 0.47 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.11 1r4y n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r4y s LEU 9 N 0.00 4.31 0.11 0.99 1.43 -1.26 -5.09 118.68 119.16 1r4y s LEU 9 Ca 0.00 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1r4y s LEU 9 Cb 0.00 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1r4y s LEU 9 CO 0.00 0.14 0.26 -0.76 0.23 0.00 0.00 176.35 176.22 1r4y s LEU 10 N 0.11 4.33 -0.49 1.79 2.01 -1.26 -2.86 118.68 122.31 1r4y s LEU 10 Ca 0.20 0.28 0.06 0.00 0.01 0.00 0.00 54.13 54.69 1r4y s LEU 10 Cb -0.14 -3.00 0.22 0.00 0.01 0.00 0.00 46.19 43.28 1r4y s LEU 10 CO 0.07 0.10 0.77 -1.22 1.01 0.00 0.00 176.35 177.09 1r4y n TYR 11 N -0.06 -3.27 -1.63 0.29 4.01 0.86 -2.79 117.16 114.56 1r4y n TYR 11 Ca -0.05 -1.77 -0.51 0.00 -0.16 0.00 0.00 57.90 55.41 1r4y n TYR 11 Cb 0.52 1.36 -0.06 0.00 -0.31 0.00 0.00 39.34 40.86 1r4y n TYR 11 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1r4y n ASN 12 N 2.23 2.28 -0.23 7.72 5.15 -1.26 -0.63 115.26 130.51 1r4y n ASN 12 Ca 0.14 1.09 -0.05 0.00 -0.60 0.00 0.00 54.58 55.16 1r4y n ASN 12 Cb 0.59 -1.26 0.00 0.00 -0.53 0.00 0.00 39.78 38.58 1r4y n ASN 12 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1r4y h GLN 13 N 5.62 -0.14 -0.54 1.20 5.75 -1.52 0.77 115.11 126.26 1r4y h GLN 13 Ca -0.47 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.15 1r4y h GLN 13 Cb 1.31 0.03 -0.11 0.00 1.07 0.00 0.00 27.48 29.78 1r4y h GLN 13 CO 0.84 -0.10 -0.20 -0.97 -2.65 0.00 0.00 178.83 175.76 1r4y h ASN 14 N -0.15 -0.69 -0.60 -0.69 -0.73 -1.84 -0.12 115.58 110.76 1r4y h ASN 14 Ca 0.24 0.18 0.02 0.00 1.87 0.00 0.00 56.30 58.61 1r4y h ASN 14 Cb 0.56 0.40 -0.03 0.00 0.27 0.00 0.00 38.32 39.52 1r4y h ASN 14 CO -0.73 -0.23 0.39 0.11 -0.37 0.00 0.00 177.43 176.60 1r4y h LYS 15 N -0.07 0.73 0.14 6.67 1.57 -1.42 0.34 116.57 124.53 1r4y h LYS 15 Ca 0.25 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1r4y h LYS 15 Cb 0.46 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1r4y h LYS 15 CO -0.59 0.48 -0.07 0.00 -0.57 0.00 0.00 179.45 178.71 1r4y h ALA 16 N 1.64 -0.90 -0.92 3.86 0.00 0.75 0.19 119.26 123.89 1r4y h ALA 16 Ca 0.23 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.32 1r4y h ALA 16 Cb -0.00 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.74 1r4y h ALA 16 CO -0.06 -0.88 0.45 1.05 0.00 0.00 0.00 179.25 179.81 1r4y h GLU 17 N -0.22 0.44 0.24 0.00 4.11 -1.17 -2.26 114.58 115.72 1r4y h GLU 17 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1r4y h GLU 17 Cb 0.15 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1r4y h GLU 17 CO 0.03 0.29 -0.11 1.03 0.07 0.00 0.00 179.01 180.32 1r4y h SER 18 N 0.46 -0.27 -0.77 3.06 0.87 -0.36 0.28 113.55 116.82 1r4y h SER 18 Ca 0.58 -0.16 0.16 0.00 -1.23 0.00 0.00 61.79 61.14 1r4y h SER 18 Cb 1.08 0.07 -0.14 0.00 -0.44 0.00 0.00 62.40 62.97 1r4y h SER 18 CO -0.51 0.01 -0.12 -1.13 -0.53 0.00 0.00 176.83 174.55 1r4y h ASN 19 N -0.56 -0.59 0.15 6.23 -0.00 -0.35 -0.16 115.58 120.29 1r4y h ASN 19 Ca -0.03 0.22 -0.09 0.00 -0.00 0.00 0.00 56.30 56.40 1r4y h ASN 19 Cb 0.41 0.44 -0.01 0.00 -0.00 0.00 0.00 38.32 39.16 1r4y h ASN 19 CO 0.05 -0.24 -0.33 0.77 -0.00 0.00 0.00 177.43 177.69 1r4y h SER 20 N 0.03 0.28 -0.99 1.15 4.64 -1.15 -2.02 113.55 115.49 1r4y h SER 20 Ca 0.39 -0.10 0.04 0.00 -0.47 0.00 0.00 61.79 61.65 1r4y h SER 20 Cb 0.65 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.60 1r4y h SER 20 CO -0.76 0.60 0.64 0.45 -0.87 0.00 0.00 176.83 176.89 1r4y h HIS 21 N 0.24 1.21 0.13 4.77 3.86 0.14 -3.13 115.15 122.37 1r4y h HIS 21 Ca 0.03 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.09 1r4y h HIS 21 Cb 0.70 -0.40 0.02 0.00 1.06 0.00 0.00 27.41 28.78 1r4y h HIS 21 CO 0.01 0.69 -0.83 0.45 0.86 0.00 0.00 177.93 179.12 1r4y h HIS 22 N 1.25 0.51 -1.57 2.45 3.86 -1.34 -3.47 115.15 116.83 1r4y h HIS 22 Ca 0.39 -0.37 -0.71 0.00 -1.16 0.00 0.00 60.37 58.52 1r4y h HIS 22 Cb 0.01 -0.02 0.04 0.00 1.06 0.00 0.00 27.41 28.49 1r4y h HIS 22 CO -0.00 1.32 0.58 0.00 0.86 0.00 0.00 177.93 180.69 1r4y n ALA 23 N -2.70 -0.90 -2.12 2.45 0.00 -0.77 -4.88 120.51 111.58 1r4y n ALA 23 Ca -0.15 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 1r4y n ALA 23 Cb 0.81 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 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 1.54 4.29 -0.83 0.00 0.04 -1.26 -4.87 135.00 133.91 1r4y s PRO 24 Ca 0.90 2.12 -0.25 0.00 0.04 0.00 0.00 61.00 63.81 1r4y s PRO 24 Cb -1.03 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 30.12 1r4y s PRO 24 CO 0.55 -0.50 2.16 -1.17 0.04 0.00 0.00 177.00 178.07 1r4y s LEU 25 N 1.41 3.04 0.00 -3.56 2.96 -1.26 -4.53 118.68 116.74 1r4y s LEU 25 Ca 0.66 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1r4y s LEU 25 Cb -0.37 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 43.76 1r4y s LEU 25 CO 0.30 -3.24 0.00 -1.20 -1.32 0.00 0.00 176.35 170.89 1r4y n SER 26 N 16.06 0.00 -4.47 3.68 7.64 -1.26 -5.03 113.62 130.24 1r4y n SER 26 Ca 0.42 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.93 1r4y n SER 26 Cb 0.46 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.54 1r4y n SER 26 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1r4y s ASP 27 N 0.00 5.37 -1.26 6.43 2.15 -1.25 -4.27 116.67 123.84 1r4y s ASP 27 Ca 0.00 -0.23 -0.00 0.00 0.43 0.00 0.00 52.55 52.75 1r4y s ASP 27 Cb 0.00 -1.97 -0.00 0.00 -0.30 0.00 0.00 42.92 40.65 1r4y s ASP 27 CO 0.00 -0.07 0.84 0.61 -0.17 0.00 0.00 175.17 176.38 1r4y n GLY 28 N 4.96 -0.32 0.25 2.66 0.00 -0.83 -4.49 105.19 107.41 1r4y n GLY 28 Ca -0.15 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.20 1.71 -4.32 1.61 4.81 -1.24 -4.96 118.16 111.57 1r4y n LYS 29 Ca -0.30 -0.70 -0.24 0.00 -0.87 0.00 0.00 58.31 56.20 1r4y n LYS 29 Cb 0.67 -1.09 -0.08 0.00 0.02 0.00 0.00 35.03 34.55 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 -1.18 3.26 0.18 3.15 -4.23 -1.26 -5.03 115.64 110.53 1r4y s THR 30 Ca 0.09 -1.90 -0.23 0.00 -1.18 0.00 0.00 61.69 58.46 1r4y s THR 30 Cb 0.08 -2.70 0.08 0.00 1.34 0.00 0.00 72.50 71.29 1r4y s THR 30 CO 0.21 -0.30 1.58 1.23 -0.54 0.00 0.00 174.62 176.79 1r4y h GLY 31 N 2.22 -0.27 0.00 3.99 0.00 -1.18 -2.52 103.07 105.32 1r4y h GLY 31 Ca -0.44 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1r4y h GLY 31 CO 0.59 -0.19 0.00 -1.26 0.00 0.00 0.00 176.54 175.67 1r4y n SER 32 N -5.42 0.00 0.00 0.19 2.88 0.63 -4.20 113.62 107.70 1r4y n SER 32 Ca 0.03 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1r4y n SER 32 Cb 0.35 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1r4y n SER 32 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1r4y n SER 33 N -1.84 0.00 -4.68 -3.46 7.64 -0.95 -5.03 113.62 105.29 1r4y n SER 33 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1r4y n SER 33 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 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 1.60 -2.10 1.43 4.02 -1.26 -1.97 117.16 118.88 1r4y n TYR 34 Ca 0.00 0.44 -0.36 0.00 -0.01 0.00 0.00 57.90 57.97 1r4y n TYR 34 Cb 0.00 -2.26 0.02 0.00 -0.02 0.00 0.00 39.34 37.08 1r4y n TYR 34 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1r4y s PRO 35 N -2.82 3.32 0.37 -0.72 0.04 -1.26 -4.64 135.00 129.29 1r4y s PRO 35 Ca 0.74 1.83 0.08 0.00 0.04 0.00 0.00 61.00 63.69 1r4y s PRO 35 Cb -0.43 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.91 1r4y s PRO 35 CO 0.48 -0.93 0.02 -3.38 0.04 0.00 0.00 177.00 173.23 1r4y s HIS 36 N -1.57 2.53 0.23 0.56 -3.43 -1.17 -1.99 115.29 110.45 1r4y s HIS 36 Ca 0.71 -0.53 -0.31 0.00 -0.80 0.00 0.00 55.06 54.13 1r4y s HIS 36 Cb -0.30 -1.63 -0.10 0.00 -1.43 0.00 0.00 32.58 29.12 1r4y s HIS 36 CO 0.35 0.43 1.52 -0.46 -2.00 0.00 0.00 174.74 174.58 1r4y s TRP 37 N -2.60 2.99 -0.84 0.38 -0.00 -1.26 -1.95 118.94 115.66 1r4y s TRP 37 Ca 0.36 0.83 -0.15 0.00 -0.00 0.00 0.00 56.10 57.14 1r4y s TRP 37 Cb 0.04 -3.91 0.21 0.00 -0.00 0.00 0.00 33.47 29.81 1r4y s TRP 37 CO 0.19 -3.13 0.81 0.12 -0.00 0.00 0.00 176.95 174.95 1r4y s PHE 38 N 0.42 3.69 0.34 5.86 5.36 0.53 -4.76 117.98 129.42 1r4y s PHE 38 Ca 0.64 -1.93 0.16 0.00 -0.96 0.00 0.00 56.93 54.84 1r4y s PHE 38 Cb -0.44 -3.88 1.15 0.00 -0.34 0.00 0.00 43.02 39.51 1r4y s PHE 38 CO 0.40 -1.05 1.49 0.25 -1.46 0.00 0.00 175.22 174.84 1r4y n THR 39 N 4.15 -0.40 -1.98 0.12 -2.24 -1.26 -4.09 114.28 108.58 1r4y n THR 39 Ca 0.15 1.95 -0.18 0.00 -2.27 0.00 0.00 64.05 63.70 1r4y n THR 39 Cb 0.47 -3.09 -0.04 0.00 -2.10 0.00 0.00 70.33 65.57 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 -5.19 -5.06 0.00 3.42 5.15 -1.26 -0.31 115.26 112.01 1r4y n ASN 40 Ca 0.33 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.55 1r4y n ASN 40 Cb 1.10 -4.37 0.00 0.00 -0.53 0.00 0.00 39.78 35.98 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 -0.65 2.55 3.39 8.20 0.00 -1.26 -3.72 105.19 113.70 1r4y n GLY 41 Ca -0.20 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.38 0.05 1.61 4.01 0.58 -4.50 117.16 117.53 1r4y n TYR 42 Ca 0.00 0.50 -0.12 0.00 -0.16 0.00 0.00 57.90 58.12 1r4y n TYR 42 Cb 0.00 -1.87 -0.13 0.00 -0.31 0.00 0.00 39.34 37.02 1r4y n TYR 42 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1r4y h ASP 43 N 0.31 0.18 0.00 7.72 1.82 -1.77 -3.44 116.42 121.24 1r4y h ASP 43 Ca -0.42 -0.24 0.00 0.00 -0.39 0.00 0.00 57.03 55.98 1r4y h ASP 43 Cb 1.42 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.37 1r4y h ASP 43 CO 0.47 1.20 0.00 0.61 -1.61 0.00 0.00 179.24 179.90 1r4y n GLY 44 N 1.52 -2.04 0.46 -0.78 0.00 -1.26 -5.07 105.19 98.02 1r4y n GLY 44 Ca -0.10 0.67 -0.03 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.63 0.97 -3.01 1.61 9.92 -1.26 -3.00 116.55 121.15 1r4y n ASP 45 Ca 0.00 0.15 -0.04 0.00 -0.53 0.00 0.00 54.79 54.37 1r4y n ASP 45 Cb 0.00 -0.46 0.04 0.00 -0.64 0.00 0.00 41.12 40.06 1r4y n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r4y n GLY 46 N 2.31 -3.70 1.67 0.44 0.00 -1.26 -3.14 105.19 101.52 1r4y n GLY 46 Ca -0.05 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 1r4y n GLY 46 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1r4y n LYS 47 N -2.51 -2.89 -1.55 1.61 2.85 -1.26 -4.45 118.16 109.96 1r4y n LYS 47 Ca 0.02 -0.69 -0.31 0.00 -1.05 0.00 0.00 58.31 56.28 1r4y n LYS 47 Cb 0.08 -0.96 0.05 0.00 -0.65 0.00 0.00 35.03 33.56 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 3.12 1.13 -5.58 1.02 -1.26 -3.50 118.68 113.62 1r4y s LEU 48 Ca 0.32 1.63 -0.13 0.00 0.02 0.00 0.00 54.13 55.97 1r4y s LEU 48 Cb -0.06 -4.49 0.27 0.00 0.02 0.00 0.00 46.19 41.93 1r4y s LEU 48 CO 0.26 -1.48 1.04 -2.16 0.02 0.00 0.00 176.35 174.03 1r4y s PRO 49 N -5.04 -0.68 -0.57 1.29 0.04 -1.26 -4.84 135.00 123.94 1r4y s PRO 49 Ca 0.58 0.85 -0.28 0.00 0.04 0.00 0.00 61.00 62.19 1r4y s PRO 49 Cb -0.14 -1.58 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 1r4y s PRO 49 CO 0.55 -3.57 2.45 1.17 0.04 0.00 0.00 177.00 177.64 1r4y n LYS 50 N -4.81 0.88 -0.42 4.56 4.81 -1.26 -3.79 118.16 118.13 1r4y n LYS 50 Ca 0.04 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1r4y n LYS 50 Cb 0.54 -2.96 0.00 0.00 0.02 0.00 0.00 35.03 32.64 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 6.14 -0.96 3.60 3.14 0.00 -1.26 -5.17 105.19 110.68 1r4y n GLY 51 Ca 0.43 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.01 0.96 -0.28 1.61 1.81 -1.25 -5.14 118.95 116.65 1r4y s ARG 52 Ca 0.00 -0.44 -0.02 0.00 -1.72 0.00 0.00 55.73 53.55 1r4y s ARG 52 Cb 0.00 0.39 0.09 0.00 -0.45 0.00 0.00 34.95 34.98 1r4y s ARG 52 CO 0.00 -0.43 0.10 0.99 -0.68 0.00 0.00 175.30 175.28 1r4y s THR 53 N -3.18 0.52 0.32 0.02 2.01 -1.26 -5.06 115.64 109.00 1r4y s THR 53 Ca 0.08 -1.04 -0.28 0.00 0.31 0.00 0.00 61.69 60.75 1r4y s THR 53 Cb -0.01 -1.34 -0.10 0.00 0.01 0.00 0.00 72.50 71.07 1r4y s THR 53 CO -0.05 -0.60 1.17 -2.16 -0.69 0.00 0.00 174.62 172.29 1r4y s PRO 54 N 1.81 4.46 0.00 4.92 0.04 -1.25 -4.58 135.00 140.40 1r4y s PRO 54 Ca 0.08 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 1r4y s PRO 54 Cb -0.17 -3.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.23 1r4y s PRO 54 CO -0.25 0.00 1.91 0.42 0.04 0.00 0.00 177.00 179.12 1r4y s ILE 55 N -1.20 3.15 0.21 0.56 1.01 -1.24 -4.98 121.20 118.71 1r4y s ILE 55 Ca 0.48 0.18 -0.20 0.00 0.00 0.00 0.00 60.65 61.11 1r4y s ILE 55 Cb -0.34 -3.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.93 1r4y s ILE 55 CO 0.44 -0.02 0.72 -0.75 0.00 0.00 0.00 174.94 175.34 1r4y s LYS 56 N 4.45 4.28 0.05 2.79 2.36 -1.26 -4.88 119.74 127.53 1r4y s LYS 56 Ca 0.85 0.90 0.00 0.00 -2.55 0.00 0.00 55.97 55.17 1r4y s LYS 56 Cb -0.40 -2.93 0.00 0.00 -1.05 0.00 0.00 37.83 33.45 1r4y s LYS 56 CO 0.39 0.42 0.00 1.19 1.55 0.00 0.00 175.35 178.90 1r4y n PHE 57 N 0.85 -0.20 0.00 4.03 3.72 -1.26 -4.85 117.46 119.75 1r4y n PHE 57 Ca -0.03 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1r4y n PHE 57 Cb 0.51 0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 1r4y n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r4y n GLY 58 N 2.77 1.11 3.74 1.37 0.00 -1.26 -5.09 105.19 107.83 1r4y n GLY 58 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 4.24 0.00 1.61 -0.14 -1.26 -4.98 119.74 119.21 1r4y s LYS 59 Ca 0.00 0.30 0.09 0.00 -1.36 0.00 0.00 55.97 55.00 1r4y s LYS 59 Cb 0.00 -3.40 0.54 0.00 -1.68 0.00 0.00 37.83 33.29 1r4y s LYS 59 CO 0.00 0.27 0.96 -1.13 -0.76 0.00 0.00 175.35 174.69 1r4y n SER 60 N 3.37 0.00 -0.10 2.83 3.41 -1.26 -2.07 113.62 119.80 1r4y n SER 60 Ca -0.10 -0.50 -0.16 0.00 -0.26 0.00 0.00 58.87 57.85 1r4y n SER 60 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 1r4y n SER 60 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1r4y n ASP 61 N -0.86 1.88 0.14 4.04 9.92 -1.26 -2.87 116.55 127.54 1r4y n ASP 61 Ca 0.07 0.45 0.02 0.00 -0.53 0.00 0.00 54.79 54.79 1r4y n ASP 61 Cb 0.03 -0.86 0.10 0.00 -0.64 0.00 0.00 41.12 39.76 1r4y n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r4y h ASP 63 N 0.00 0.00 -4.19 0.00 1.82 -1.62 -3.47 116.42 108.95 1r4y h ASP 63 Ca -0.01 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.10 1r4y h ASP 63 Cb 1.29 0.00 0.16 0.00 0.68 0.00 0.00 39.33 41.45 1r4y h ASP 63 CO 0.07 0.41 0.37 0.00 -1.61 0.00 0.00 179.24 178.49 1r4y s ARG 64 N -3.60 2.07 0.16 0.28 1.70 -1.14 -4.96 118.95 113.46 1r4y s ARG 64 Ca -0.00 1.69 -0.32 0.00 -0.47 0.00 0.00 55.73 56.63 1r4y s ARG 64 Cb 0.11 -1.83 -0.10 0.00 -0.57 0.00 0.00 34.95 32.56 1r4y s ARG 64 CO 0.70 -1.87 1.60 -1.25 -1.08 0.00 0.00 175.30 173.39 1r4y s PRO 65 N -4.04 4.20 1.29 3.89 0.04 -1.26 -4.97 135.00 134.14 1r4y s PRO 65 Ca 0.72 2.39 -0.20 0.00 0.04 0.00 0.00 61.00 63.95 1r4y s PRO 65 Cb -0.27 -3.19 0.32 0.00 0.04 0.00 0.00 34.50 31.40 1r4y s PRO 65 CO 0.47 -0.64 1.03 -1.25 0.04 0.00 0.00 177.00 176.65 1r4y s PRO 66 N 1.29 -1.90 -0.39 0.56 0.04 -1.19 -4.91 135.00 128.50 1r4y s PRO 66 Ca 0.71 0.09 0.12 0.00 0.04 0.00 0.00 61.00 61.96 1r4y s PRO 66 Cb -0.44 -1.50 0.42 0.00 0.04 0.00 0.00 34.50 33.01 1r4y s PRO 66 CO 0.31 -4.19 0.95 1.17 0.04 0.00 0.00 177.00 175.28 1r4y n LYS 67 N -5.13 1.92 -1.63 4.56 3.00 -1.26 -4.47 118.16 115.14 1r4y n LYS 67 Ca 0.12 -3.77 -0.31 0.00 -0.00 0.00 0.00 58.31 54.35 1r4y n LYS 67 Cb 0.59 -1.69 0.05 0.00 0.00 0.00 0.00 35.03 33.98 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 -3.13 3.16 0.05 5.64 5.65 -1.16 -4.44 115.29 121.07 1r4y s HIS 68 Ca 0.37 1.34 -0.00 0.00 0.25 0.00 0.00 55.06 57.02 1r4y s HIS 68 Cb 0.40 -2.90 0.00 0.00 -1.18 0.00 0.00 32.58 28.91 1r4y s HIS 68 CO -0.06 -1.22 0.08 0.43 -0.65 0.00 0.00 174.74 173.31 1r4y n SER 69 N -3.11 -0.21 -4.57 9.88 7.64 -1.26 -4.46 113.62 117.53 1r4y n SER 69 Ca 0.07 -1.29 -0.43 0.00 1.01 0.00 0.00 58.87 58.23 1r4y n SER 69 Cb 0.54 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 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 -0.09 3.21 0.00 1.43 5.02 -1.26 -3.85 118.16 122.62 1r4y n LYS 70 Ca 0.00 -3.32 0.00 0.00 -2.02 0.00 0.00 58.31 52.97 1r4y n LYS 70 Cb 0.09 -3.46 0.00 0.00 -0.02 0.00 0.00 35.03 31.64 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 8.17 0.00 0.00 4.39 9.92 -1.26 -5.05 116.55 132.71 1r4y n ASP 71 Ca 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.74 1r4y n ASP 71 Cb 0.46 0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r4y n GLY 72 N -0.90 2.68 2.52 0.44 0.00 -1.25 -4.89 105.19 103.80 1r4y n GLY 72 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1r4y n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r4y s ASN 73 N 0.00 3.29 0.00 1.61 3.04 -1.26 -4.47 114.94 117.15 1r4y s ASN 73 Ca 0.00 -1.55 0.00 0.00 0.04 0.00 0.00 52.86 51.35 1r4y s ASN 73 Cb 0.00 -0.33 0.00 0.00 -1.54 0.00 0.00 41.25 39.38 1r4y s ASN 73 CO 0.00 -0.40 0.00 0.61 -3.04 0.00 0.00 177.10 174.27 1r4y n GLY 74 N 4.87 0.63 0.00 1.21 0.00 -1.26 -4.97 105.19 105.67 1r4y n GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.29 1.61 5.02 -1.26 -4.82 118.16 118.42 1r4y n LYS 75 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1r4y n LYS 75 Cb 0.00 -0.02 0.20 0.00 -0.02 0.00 0.00 35.03 35.19 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 1.38 -0.24 -0.18 5.66 -1.26 -5.05 114.28 114.59 1r4y n THR 76 Ca 0.00 -1.23 -0.05 0.00 -3.05 0.00 0.00 64.05 59.72 1r4y n THR 76 Cb 0.00 0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 69.04 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 -0.09 -2.97 1.09 9.92 -1.26 -4.68 116.55 118.93 1r4y n ASP 77 Ca 0.16 -0.03 -0.33 0.00 -0.53 0.00 0.00 54.79 54.05 1r4y n ASP 77 Cb 0.59 -0.11 -0.03 0.00 -0.64 0.00 0.00 41.12 40.92 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 1.27 2.11 -3.11 1.24 1.44 -1.26 -4.71 115.22 112.19 1r4y n HIS 78 Ca 0.11 -2.35 -0.34 0.00 -2.01 0.00 0.00 57.72 53.13 1r4y n HIS 78 Cb 0.01 -1.56 -0.06 0.00 0.12 0.00 0.00 29.99 28.50 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 -1.65 3.45 0.76 -1.40 1.13 -1.26 -4.12 117.35 114.26 1r4y s TYR 79 Ca 0.56 1.28 -0.11 0.00 -1.41 0.00 0.00 57.07 57.39 1r4y s TYR 79 Cb 0.29 -2.57 0.05 0.00 -1.10 0.00 0.00 41.96 38.63 1r4y s TYR 79 CO -0.17 0.16 1.08 -0.51 -2.51 0.00 0.00 175.55 173.60 1r4y s LEU 80 N -2.69 2.83 -0.17 -3.49 1.02 -1.26 -1.10 118.68 113.83 1r4y s LEU 80 Ca 0.51 1.51 -0.04 0.00 0.02 0.00 0.00 54.13 56.13 1r4y s LEU 80 Cb -0.12 -4.22 0.07 0.00 0.02 0.00 0.00 46.19 41.93 1r4y s LEU 80 CO 0.18 -1.84 0.13 -0.76 0.02 0.00 0.00 176.35 174.08 1r4y s LEU 81 N -5.75 0.18 0.48 1.79 1.02 0.62 -0.35 118.68 116.66 1r4y s LEU 81 Ca 0.60 -0.40 -0.18 0.00 0.02 0.00 0.00 54.13 54.17 1r4y s LEU 81 Cb -0.15 -0.03 -0.09 0.00 0.02 0.00 0.00 46.19 45.94 1r4y s LEU 81 CO 0.55 -0.33 0.96 -1.83 0.02 0.00 0.00 176.35 175.72 1r4y s GLU 82 N 2.20 4.05 -0.04 1.70 1.03 -0.82 -3.59 118.70 123.24 1r4y s GLU 82 Ca 0.04 1.01 -0.02 0.00 0.03 0.00 0.00 54.97 56.02 1r4y s GLU 82 Cb -0.15 -2.16 0.02 0.00 -0.80 0.00 0.00 34.13 31.04 1r4y s GLU 82 CO -0.09 -0.17 0.09 0.12 -1.33 0.00 0.00 175.26 173.88 1r4y s PHE 83 N -2.44 -0.08 -1.00 4.83 5.36 -0.40 -3.07 117.98 121.17 1r4y s PHE 83 Ca 0.60 0.28 -0.24 0.00 -0.96 0.00 0.00 56.93 56.61 1r4y s PHE 83 Cb -0.10 -0.08 -0.03 0.00 -0.34 0.00 0.00 43.02 42.47 1r4y s PHE 83 CO 0.24 -0.10 1.86 -1.25 -1.46 0.00 0.00 175.22 174.51 1r4y s PRO 84 N 0.71 2.78 -0.73 10.12 0.04 -1.26 -0.95 135.00 145.71 1r4y s PRO 84 Ca -0.06 -0.70 -0.21 0.00 0.04 0.00 0.00 61.00 60.08 1r4y s PRO 84 Cb -0.08 -5.17 0.10 0.00 0.04 0.00 0.00 34.50 29.39 1r4y s PRO 84 CO -0.03 -3.27 0.97 -0.08 0.04 0.00 0.00 177.00 174.63 1r4y s THR 85 N 9.18 4.56 0.56 1.26 -1.32 -1.25 -4.66 115.64 123.96 1r4y s THR 85 Ca 0.65 -0.89 -0.13 0.00 -1.21 0.00 0.00 61.69 60.12 1r4y s THR 85 Cb -0.04 -4.68 -0.06 0.00 -1.51 0.00 0.00 72.50 66.22 1r4y s THR 85 CO 0.01 -1.41 0.99 -0.36 -2.21 0.00 0.00 174.62 171.64 1r4y s PHE 86 N 3.33 3.55 0.27 9.09 0.08 -1.26 -4.77 117.98 128.27 1r4y s PHE 86 Ca 0.23 1.33 0.09 0.00 0.12 0.00 0.00 56.93 58.70 1r4y s PHE 86 Cb -0.14 -2.72 0.36 0.00 -0.57 0.00 0.00 43.02 39.95 1r4y s PHE 86 CO 0.03 -0.52 1.62 -1.00 -0.10 0.00 0.00 175.22 175.26 1r4y h PRO 87 N 0.28 0.08 -1.26 0.24 0.13 -1.92 -3.17 132.00 126.38 1r4y h PRO 87 Ca -0.45 -0.06 0.40 0.00 -0.87 0.00 0.00 66.00 65.02 1r4y h PRO 87 Cb 1.19 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1r4y h PRO 87 CO 0.62 0.64 0.82 0.22 -0.23 0.00 0.00 178.00 180.07 1r4y h ASP 88 N 0.06 0.28 0.00 1.44 1.82 -1.94 -3.46 116.42 114.62 1r4y h ASP 88 Ca -0.00 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1r4y h ASP 88 Cb 1.04 0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1r4y h ASP 88 CO 0.08 -0.12 0.00 0.61 -1.61 0.00 0.00 179.24 178.20 1r4y n GLY 89 N -1.52 0.73 3.71 -0.78 0.00 -1.20 -5.04 105.19 101.08 1r4y n GLY 89 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.24 3.21 -0.27 1.61 -3.43 -1.26 -4.97 115.29 107.94 1r4y s HIS 90 Ca 0.00 1.05 -0.28 0.00 -0.80 0.00 0.00 55.06 55.03 1r4y s HIS 90 Cb 0.00 -3.57 -0.03 0.00 -1.43 0.00 0.00 32.58 27.54 1r4y s HIS 90 CO 0.00 -1.96 1.97 0.34 -2.00 0.00 0.00 174.74 173.09 1r4y s ASP 91 N 1.30 5.74 0.26 7.38 2.15 -1.26 -4.62 116.67 127.61 1r4y s ASP 91 Ca 0.62 1.60 -0.25 0.00 0.43 0.00 0.00 52.55 54.95 1r4y s ASP 91 Cb -0.32 -2.52 -0.16 0.00 -0.30 0.00 0.00 42.92 39.62 1r4y s ASP 91 CO 0.28 -1.78 0.37 0.00 -0.17 0.00 0.00 175.17 173.87 1r4y n TYR 92 N 10.74 -0.97 -1.31 -5.34 9.36 -1.26 -4.86 117.16 123.52 1r4y n TYR 92 Ca 0.26 0.83 -0.38 0.00 3.32 0.00 0.00 57.90 61.93 1r4y n TYR 92 Cb 0.46 -1.83 -0.02 0.00 -0.63 0.00 0.00 39.34 37.31 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 1.07 3.32 0.18 2.98 2.85 -1.26 -4.51 118.16 122.79 1r4y n LYS 93 Ca 0.15 -2.17 0.04 0.00 -1.05 0.00 0.00 58.31 55.28 1r4y n LYS 93 Cb 0.29 -2.85 0.33 0.00 -0.65 0.00 0.00 35.03 32.15 1r4y n LYS 93 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1r4y h PHE 94 N 5.39 0.00 0.03 5.58 -0.00 -1.89 -3.33 116.94 122.72 1r4y h PHE 94 Ca 0.77 0.00 -0.21 0.00 -0.00 0.00 0.00 57.97 58.53 1r4y h PHE 94 Cb 0.34 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 36.30 1r4y h PHE 94 CO 1.81 0.41 -0.84 0.22 -0.00 0.00 0.00 178.31 179.91 1r4y h ASP 95 N 0.00 0.69 -3.12 -0.68 3.58 -1.89 0.19 116.42 115.19 1r4y h ASP 95 Ca -0.00 -0.78 -0.57 0.00 0.42 0.00 0.00 57.03 56.10 1r4y h ASP 95 Cb 0.87 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 1r4y h ASP 95 CO 0.05 1.38 0.93 -0.44 -2.88 0.00 0.00 179.24 178.29 1r4y s SER 96 N -7.02 6.78 0.21 2.28 0.01 -1.25 -2.54 113.70 112.16 1r4y s SER 96 Ca -0.12 1.28 -0.10 0.00 1.31 0.00 0.00 55.95 58.33 1r4y s SER 96 Cb 0.04 -2.54 0.23 0.00 0.21 0.00 0.00 66.02 63.96 1r4y s SER 96 CO 0.87 -0.97 1.81 0.07 0.41 0.00 0.00 173.24 175.42 1r4y h LYS 97 N 8.83 0.65 -2.70 12.44 2.10 -1.85 -3.29 116.57 132.75 1r4y h LYS 97 Ca -0.25 -0.04 -0.12 0.00 -2.00 0.00 0.00 60.65 58.24 1r4y h LYS 97 Cb 1.09 -0.15 -0.26 0.00 -0.90 0.00 0.00 32.23 32.02 1r4y h LYS 97 CO 1.02 0.43 -0.28 0.21 -2.00 0.00 0.00 179.45 178.82 1r4y s LYS 98 N -6.10 0.42 0.96 0.07 2.20 -1.26 -4.28 119.74 111.75 1r4y s LYS 98 Ca -0.13 0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 56.06 1r4y s LYS 98 Cb 0.16 0.07 0.17 0.00 -1.51 0.00 0.00 37.83 36.72 1r4y s LYS 98 CO 0.76 -0.12 1.09 -1.25 -0.36 0.00 0.00 175.35 175.47 1r4y s PRO 99 N 0.93 0.73 -0.00 4.03 0.04 -1.26 -5.18 135.00 134.29 1r4y s PRO 99 Ca -0.06 0.92 -0.03 0.00 0.04 0.00 0.00 61.00 61.87 1r4y s PRO 99 Cb -0.06 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 1r4y s PRO 99 CO -0.07 -2.63 0.06 -1.59 0.04 0.00 0.00 177.00 172.80 1r4y s LYS 100 N -4.80 0.27 1.10 4.56 -2.85 -1.26 -4.77 119.74 111.99 1r4y s LYS 100 Ca 0.65 -0.27 -0.15 0.00 -1.00 0.00 0.00 55.97 55.20 1r4y s LYS 100 Cb -0.20 0.11 0.24 0.00 -2.06 0.00 0.00 37.83 35.91 1r4y s LYS 100 CO 0.59 -0.05 1.09 -2.00 0.10 0.00 0.00 175.35 175.08 1r4y s GLU 101 N -0.83 -0.39 -0.16 1.78 2.12 -1.26 -5.08 118.70 114.87 1r4y s GLU 101 Ca -0.09 0.29 -0.01 0.00 0.36 0.00 0.00 54.97 55.51 1r4y s GLU 101 Cb -0.06 -1.66 -0.01 0.00 0.26 0.00 0.00 34.13 32.66 1r4y s GLU 101 CO 0.00 -3.23 -0.10 1.21 -0.54 0.00 0.00 175.26 172.60 1r4y s ASN 102 N -3.56 4.13 0.09 -1.70 2.47 -1.26 -5.05 114.94 110.05 1r4y s ASN 102 Ca 0.68 -0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.62 1r4y s ASN 102 Cb -0.16 -1.65 0.00 0.00 -1.45 0.00 0.00 41.25 37.99 1r4y s ASN 102 CO 0.57 0.11 0.00 -0.81 -3.72 0.00 0.00 177.10 173.26 1r4y n PRO 103 N 3.88 0.86 0.00 0.43 -0.04 -1.26 -4.83 135.00 134.05 1r4y n PRO 103 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1r4y n PRO 103 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 3.59 3.01 0.00 0.55 0.00 -1.26 -5.12 105.19 105.96 1r4y n GLY 104 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1r4y n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1r4y n PRO 105 N 0.00 0.30 -0.89 1.61 -0.04 -1.26 -4.55 135.00 130.17 1r4y n PRO 105 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1r4y n PRO 105 Cb 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 33.61 1r4y n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r4y s ALA 106 N -3.09 1.62 0.02 0.55 0.00 -1.26 -4.57 121.76 115.03 1r4y s ALA 106 Ca 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 1r4y s ALA 106 Cb 0.00 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 1r4y s ALA 106 CO 0.00 -2.48 0.13 1.03 0.00 0.00 0.00 175.76 174.44 1r4y s ARG 107 N -4.74 0.54 -0.24 0.00 0.52 0.37 -3.90 118.95 111.52 1r4y s ARG 107 Ca 0.65 -0.53 -0.22 0.00 -0.52 0.00 0.00 55.73 55.11 1r4y s ARG 107 Cb -0.21 0.22 -0.02 0.00 0.52 0.00 0.00 34.95 35.47 1r4y s ARG 107 CO 0.58 -0.14 0.70 0.54 0.02 0.00 0.00 175.30 177.00 1r4y s VAL 108 N -1.88 4.94 -0.16 3.52 0.11 -0.13 -0.28 120.40 126.53 1r4y s VAL 108 Ca -0.11 1.31 -0.02 0.00 -2.93 0.00 0.00 61.98 60.23 1r4y s VAL 108 Cb -0.05 -4.00 -0.02 0.00 -1.53 0.00 0.00 36.38 30.78 1r4y s VAL 108 CO -0.01 0.01 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.06 1r4y s ILE 109 N 2.48 3.37 0.05 7.04 1.09 -0.49 -1.28 121.20 133.47 1r4y s ILE 109 Ca 0.30 -0.53 -0.08 0.00 -1.10 0.00 0.00 60.65 59.24 1r4y s ILE 109 Cb -0.16 -2.47 -0.00 0.00 -1.06 0.00 0.00 42.46 38.78 1r4y s ILE 109 CO 0.09 0.49 0.17 -0.72 -0.10 0.00 0.00 174.94 174.86 1r4y s TYR 110 N 0.65 0.12 0.68 3.97 -0.85 -1.24 -1.48 117.35 119.20 1r4y s TYR 110 Ca -0.05 -0.42 -0.10 0.00 -0.52 0.00 0.00 57.07 55.99 1r4y s TYR 110 Cb -0.15 -0.07 0.02 0.00 0.38 0.00 0.00 41.96 42.14 1r4y s TYR 110 CO 0.02 -0.44 1.05 0.95 -1.52 0.00 0.00 175.55 175.61 1r4y s THR 111 N -2.93 3.45 0.24 -3.49 -4.23 -1.18 -0.28 115.64 107.21 1r4y s THR 111 Ca -0.02 0.32 0.08 0.00 -1.18 0.00 0.00 61.69 60.89 1r4y s THR 111 Cb 0.01 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 1r4y s THR 111 CO -0.06 -0.55 0.07 -0.47 -0.54 0.00 0.00 174.62 173.08 1r4y s TYR 112 N -3.27 2.89 -0.02 3.99 6.14 -0.26 -3.52 117.35 123.30 1r4y s TYR 112 Ca 0.57 -0.16 -0.24 0.00 0.64 0.00 0.00 57.07 57.88 1r4y s TYR 112 Cb -0.11 -1.31 -0.18 0.00 0.42 0.00 0.00 41.96 40.78 1r4y s TYR 112 CO 0.50 0.57 1.16 -1.00 0.64 0.00 0.00 175.55 177.41 1r4y h PRO 113 N 1.90 -0.19 -5.90 4.97 0.13 -1.85 -3.41 132.00 127.66 1r4y h PRO 113 Ca -0.46 0.01 -0.71 0.00 -0.87 0.00 0.00 66.00 63.97 1r4y h PRO 113 Cb 1.24 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1r4y h PRO 113 CO 0.60 0.22 1.40 -1.71 -0.23 0.00 0.00 178.00 178.27 1r4y n ASN 114 N -4.97 1.15 -4.09 1.44 5.15 -1.26 -4.75 115.26 107.93 1r4y n ASN 114 Ca -0.09 0.53 -0.34 0.00 -0.60 0.00 0.00 54.58 54.08 1r4y n ASN 114 Cb 0.25 -1.02 -0.07 0.00 -0.53 0.00 0.00 39.78 38.41 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 7.83 1.17 -2.66 1.20 5.02 -1.23 -4.32 118.16 125.17 1r4y n LYS 115 Ca 0.52 -1.96 -0.43 0.00 -2.02 0.00 0.00 58.31 54.42 1r4y n LYS 115 Cb 0.06 -3.30 0.00 0.00 -0.02 0.00 0.00 35.03 31.77 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 7.20 4.08 -1.44 -0.18 0.31 -1.25 -4.86 118.33 122.19 1r4y n VAL 116 Ca 0.46 -4.33 -0.62 0.00 -0.01 0.00 0.00 64.34 59.85 1r4y n VAL 116 Cb 0.44 -2.42 -0.11 0.00 -0.91 0.00 0.00 33.84 30.84 1r4y n VAL 116 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1r4y n PHE 117 N 6.63 1.42 -0.05 3.52 -0.00 -1.26 -3.12 117.46 124.61 1r4y n PHE 117 Ca 0.43 0.83 -0.18 0.00 -0.00 0.00 0.00 57.45 58.53 1r4y n PHE 117 Cb 0.43 -2.30 -0.14 0.00 -0.00 0.00 0.00 39.48 37.48 1r4y n PHE 117 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1r4y n GLY 119 N 2.00 -1.27 3.25 0.00 0.00 -1.23 -4.92 105.19 103.02 1r4y n GLY 119 Ca -0.34 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.00 2.92 0.32 -0.61 1.09 -1.26 -1.39 121.20 119.26 1r4y s ILE 120 Ca 0.00 -0.65 -0.08 0.00 -1.10 0.00 0.00 60.65 58.82 1r4y s ILE 120 Cb 0.00 -2.30 -0.06 0.00 -1.06 0.00 0.00 42.46 39.04 1r4y s ILE 120 CO 0.00 0.47 0.64 0.27 -0.10 0.00 0.00 174.94 176.21 1r4y s ILE 121 N 1.37 4.90 0.17 2.92 -4.36 0.62 0.34 121.20 127.17 1r4y s ILE 121 Ca 0.05 0.38 -0.23 0.00 -0.26 0.00 0.00 60.65 60.59 1r4y s ILE 121 Cb -0.14 -3.70 0.06 0.00 1.25 0.00 0.00 42.46 39.93 1r4y s ILE 121 CO -0.06 -0.33 0.71 0.00 0.24 0.00 0.00 174.94 175.50 1r4y s ALA 122 N -2.12 -1.52 -0.88 2.27 0.00 0.98 -0.48 121.76 120.01 1r4y s ALA 122 Ca 0.48 0.28 -0.19 0.00 0.00 0.00 0.00 51.96 52.52 1r4y s ALA 122 Cb -0.11 0.79 0.12 0.00 0.00 0.00 0.00 23.12 23.92 1r4y s ALA 122 CO 0.28 -0.87 1.10 -1.01 0.00 0.00 0.00 175.76 175.26 1r4y s HIS 123 N -3.67 3.05 -0.35 0.00 3.76 -1.26 -2.73 115.29 114.08 1r4y s HIS 123 Ca 0.06 -1.25 0.02 0.00 -0.15 0.00 0.00 55.06 53.73 1r4y s HIS 123 Cb -0.03 -4.28 0.44 0.00 1.11 0.00 0.00 32.58 29.82 1r4y s HIS 123 CO -0.05 -1.51 1.74 -2.37 -0.85 0.00 0.00 174.74 171.70 1r4y n THR 124 N 5.58 2.70 -0.09 1.30 5.66 -1.26 -4.17 114.28 124.00 1r4y n THR 124 Ca 0.19 -1.56 -0.13 0.00 -3.05 0.00 0.00 64.05 59.51 1r4y n THR 124 Cb 0.48 -0.78 -0.14 0.00 -1.55 0.00 0.00 70.33 68.34 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 -0.56 0.68 0.01 1.09 3.00 -1.26 -4.99 118.16 116.13 1r4y n LYS 125 Ca 0.43 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 1r4y n LYS 125 Cb 1.16 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 34.62 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 -2.99 0.00 0.00 1.64 0.00 -1.26 -5.01 120.64 113.02 1r4y n GLU 126 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.82 1r4y n GLU 126 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.53 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 -2.09 0.00 -3.15 4.31 2.85 -1.26 -5.03 115.26 110.89 1r4y n ASN 127 Ca 0.00 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.31 1r4y n ASN 127 Cb 0.00 0.25 -0.05 0.00 1.24 0.00 0.00 39.78 41.22 1r4y n ASN 127 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1r4y s GLN 128 N -1.93 0.91 0.00 1.20 0.74 -1.26 -4.77 119.66 114.55 1r4y s GLN 128 Ca 0.00 -1.45 0.00 0.00 0.05 0.00 0.00 55.36 53.96 1r4y s GLN 128 Cb 0.00 -0.75 0.00 0.00 1.10 0.00 0.00 33.01 33.36 1r4y s GLN 128 CO 0.00 -1.33 0.00 0.41 -0.55 0.00 0.00 175.29 173.82 1r4y n GLY 129 N 3.18 2.74 3.79 2.59 0.00 -1.26 -5.10 105.19 111.13 1r4y n GLY 129 Ca 0.22 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 2.44 4.49 -0.20 1.61 0.41 -1.26 -4.99 118.70 121.19 1r4y s GLU 130 Ca 0.00 1.34 -0.07 0.00 -0.41 0.00 0.00 54.97 55.82 1r4y s GLU 130 Cb 0.00 -2.70 -0.04 0.00 -1.78 0.00 0.00 34.13 29.62 1r4y s GLU 130 CO 0.00 0.18 0.06 -1.17 -0.49 0.00 0.00 175.26 173.84 1r4y s LEU 131 N -2.26 3.64 0.21 1.80 2.96 -1.26 -4.03 118.68 119.74 1r4y s LEU 131 Ca 0.53 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 1r4y s LEU 131 Cb -0.18 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 1r4y s LEU 131 CO 0.23 0.10 0.09 -1.59 -1.32 0.00 0.00 176.35 173.85 1r4y s LYS 132 N 0.83 1.25 0.36 1.98 0.00 -1.10 -4.91 119.74 118.14 1r4y s LYS 132 Ca 0.03 -1.65 -0.27 0.00 0.00 0.00 0.00 55.97 54.08 1r4y s LYS 132 Cb -0.14 -0.06 -0.09 0.00 0.00 0.00 0.00 37.83 37.54 1r4y s LYS 132 CO 0.02 -0.29 1.14 -1.17 0.00 0.00 0.00 175.35 175.06 1r4y s LEU 133 N -3.22 4.32 1.26 2.77 2.96 -1.26 -0.01 118.68 125.50 1r4y s LEU 133 Ca 0.34 2.31 -0.21 0.00 -0.22 0.00 0.00 54.13 56.36 1r4y s LEU 133 Cb 0.07 -3.88 0.31 0.00 0.50 0.00 0.00 46.19 43.19 1r4y s LEU 133 CO 0.10 -0.47 1.10 0.00 -1.32 0.00 0.00 176.35 175.77 1r4y s SER 135 N -3.94 1.52 0.00 0.00 1.04 -1.14 -4.86 113.70 106.30 1r4y s SER 135 Ca 0.72 -1.84 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1r4y s SER 135 Cb -0.08 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1r4y s SER 135 CO 0.56 -0.26 0.16 0.00 0.98 0.00 0.00 173.24 174.68