#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 1.33 -2.81 0.00 3.14 -1.26 -3.87 118.33 114.86 1r4y n VAL 2 Ca 0.00 -0.33 -0.43 0.00 -2.96 0.00 0.00 64.34 60.62 1r4y n VAL 2 Cb 0.00 -1.16 -0.04 0.00 -1.06 0.00 0.00 33.84 31.59 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 -0.48 4.53 0.21 1.55 2.01 -1.26 -0.83 115.64 121.36 1r4y s THR 3 Ca 0.66 0.99 -0.30 0.00 0.31 0.00 0.00 61.69 63.35 1r4y s THR 3 Cb -0.72 -4.38 -0.08 0.00 0.01 0.00 0.00 72.50 67.33 1r4y s THR 3 CO 0.55 -0.68 0.99 0.26 -0.69 0.00 0.00 174.62 175.05 1r4y s TRP 4 N 3.62 3.82 -0.17 4.92 0.52 0.15 -4.37 118.94 127.42 1r4y s TRP 4 Ca 0.38 1.81 0.01 0.00 0.02 0.00 0.00 56.10 58.32 1r4y s TRP 4 Cb -0.11 -3.09 0.02 0.00 -1.15 0.00 0.00 33.47 29.14 1r4y s TRP 4 CO 0.22 0.08 -0.20 0.99 0.02 0.00 0.00 176.95 178.06 1r4y s THR 5 N -0.75 2.04 -0.74 2.01 2.01 -1.19 -0.09 115.64 118.93 1r4y s THR 5 Ca 0.44 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1r4y s THR 5 Cb -0.27 -1.84 0.37 0.00 0.01 0.00 0.00 72.50 70.76 1r4y s THR 5 CO 0.33 0.54 1.68 0.00 -0.69 0.00 0.00 174.62 176.48 1r4y n GLY 7 N -0.44 -0.24 0.00 0.00 0.00 -1.26 -4.62 105.19 98.63 1r4y n GLY 7 Ca 0.47 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -2.02 -1.84 3.38 -0.02 0.00 -1.26 -4.83 105.19 98.59 1r4y n GLY 8 Ca -0.24 0.57 -0.19 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.71 2.43 0.02 0.99 1.43 -1.26 -5.13 118.68 115.45 1r4y s LEU 9 Ca 0.00 -1.16 -0.24 0.00 -1.03 0.00 0.00 54.13 51.70 1r4y s LEU 9 Cb 0.00 -0.54 -0.05 0.00 0.03 0.00 0.00 46.19 45.62 1r4y s LEU 9 CO 0.00 -0.35 0.73 -0.76 0.23 0.00 0.00 176.35 176.20 1r4y s LEU 10 N -3.38 4.42 -0.24 1.79 1.02 -1.26 -3.78 118.68 117.25 1r4y s LEU 10 Ca 0.27 1.37 0.02 0.00 0.02 0.00 0.00 54.13 55.81 1r4y s LEU 10 Cb 0.03 -3.17 0.06 0.00 0.02 0.00 0.00 46.19 43.13 1r4y s LEU 10 CO 0.10 0.00 -0.08 -0.31 0.02 0.00 0.00 176.35 176.07 1r4y s TYR 11 N 0.08 2.81 -0.06 0.29 2.02 0.88 -4.61 117.35 118.76 1r4y s TYR 11 Ca 0.38 -2.01 -0.30 0.00 -0.37 0.00 0.00 57.07 54.77 1r4y s TYR 11 Cb -0.20 -1.75 -0.06 0.00 -0.40 0.00 0.00 41.96 39.56 1r4y s TYR 11 CO 0.21 -0.82 1.73 1.21 -1.57 0.00 0.00 175.55 176.31 1r4y s ASN 12 N 1.26 6.56 0.29 2.29 2.47 -1.26 0.30 114.94 126.84 1r4y s ASN 12 Ca -0.07 2.24 0.04 0.00 0.42 0.00 0.00 52.86 55.49 1r4y s ASN 12 Cb -0.19 -2.53 0.72 0.00 -1.45 0.00 0.00 41.25 37.80 1r4y s ASN 12 CO -0.06 -1.02 1.71 -0.61 -3.72 0.00 0.00 177.10 173.40 1r4y h GLN 13 N 10.04 0.42 -0.63 0.43 5.75 -1.09 0.37 115.11 130.40 1r4y h GLN 13 Ca -0.41 -0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.20 1r4y h GLN 13 Cb 1.19 -0.10 -0.11 0.00 1.07 0.00 0.00 27.48 29.53 1r4y h GLN 13 CO 0.96 0.28 -0.02 -0.97 -2.65 0.00 0.00 178.83 176.43 1r4y h ASN 14 N 0.44 -0.32 -0.09 -0.69 -1.24 -1.82 0.50 115.58 112.36 1r4y h ASN 14 Ca 0.56 0.16 -0.10 0.00 0.71 0.00 0.00 56.30 57.63 1r4y h ASN 14 Cb 1.03 0.29 -0.01 0.00 0.73 0.00 0.00 38.32 40.36 1r4y h ASN 14 CO -0.51 -0.13 -0.24 0.11 -1.29 0.00 0.00 177.43 175.37 1r4y h LYS 15 N 0.10 0.52 -0.59 6.67 1.57 -0.71 0.58 116.57 124.71 1r4y h LYS 15 Ca 0.33 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1r4y h LYS 15 Cb 0.54 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 1r4y h LYS 15 CO -0.56 0.72 0.29 0.00 -0.57 0.00 0.00 179.45 179.34 1r4y h ALA 16 N 1.29 0.77 0.14 3.86 0.00 0.15 0.62 119.26 126.08 1r4y h ALA 16 Ca 0.07 0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.68 1r4y h ALA 16 Cb 0.67 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1r4y h ALA 16 CO 0.05 -0.06 -1.70 1.05 0.00 0.00 0.00 179.25 178.59 1r4y h GLU 17 N 0.55 0.30 0.37 0.00 4.11 -0.70 -3.25 114.58 115.96 1r4y h GLU 17 Ca 0.27 -0.52 -0.02 0.00 0.07 0.00 0.00 59.36 59.16 1r4y h GLU 17 Cb 0.20 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1r4y h GLU 17 CO -0.20 1.18 -0.18 1.03 0.07 0.00 0.00 179.01 180.92 1r4y h SER 18 N 0.08 -0.42 -1.37 3.06 0.87 0.31 0.65 113.55 116.73 1r4y h SER 18 Ca -0.31 0.01 0.46 0.00 -1.23 0.00 0.00 61.79 60.72 1r4y h SER 18 Cb 2.06 0.11 -0.13 0.00 -0.44 0.00 0.00 62.40 63.99 1r4y h SER 18 CO 0.15 -0.04 0.88 -1.13 -0.53 0.00 0.00 176.83 176.16 1r4y h ASN 19 N -1.00 0.21 0.38 6.23 -0.00 0.08 0.41 115.58 121.89 1r4y h ASN 19 Ca -0.05 0.15 -0.32 0.00 -0.00 0.00 0.00 56.30 56.08 1r4y h ASN 19 Cb 0.38 0.14 0.02 0.00 -0.00 0.00 0.00 38.32 38.86 1r4y h ASN 19 CO 0.08 -0.22 -1.48 0.77 -0.00 0.00 0.00 177.43 176.58 1r4y h SER 20 N 0.04 0.63 -1.05 1.15 4.64 -1.55 -3.28 113.55 114.13 1r4y h SER 20 Ca 0.86 -0.74 0.35 0.00 -0.47 0.00 0.00 61.79 61.79 1r4y h SER 20 Cb 2.74 -0.21 -0.15 0.00 -0.31 0.00 0.00 62.40 64.48 1r4y h SER 20 CO -0.44 1.59 0.61 0.45 -0.87 0.00 0.00 176.83 178.17 1r4y h HIS 21 N 0.11 0.85 -0.01 4.77 3.86 0.49 0.29 115.15 125.49 1r4y h HIS 21 Ca -0.24 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 58.99 1r4y h HIS 21 Cb 2.09 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 30.34 1r4y h HIS 21 CO 0.10 -0.20 -0.07 0.45 0.86 0.00 0.00 177.93 179.07 1r4y h HIS 22 N 0.26 0.10 -0.78 2.45 3.86 -1.62 -3.46 115.15 115.96 1r4y h HIS 22 Ca 0.75 -0.04 -0.62 0.00 -1.16 0.00 0.00 60.37 59.30 1r4y h HIS 22 Cb 1.86 -0.02 0.04 0.00 1.06 0.00 0.00 27.41 30.35 1r4y h HIS 22 CO -0.01 0.73 0.06 0.00 0.86 0.00 0.00 177.93 179.57 1r4y n ALA 23 N -2.45 -2.93 -2.35 2.45 0.00 0.10 -4.83 120.51 110.49 1r4y n ALA 23 Ca -0.09 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 1r4y n ALA 23 Cb 0.37 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 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 0.05 4.30 -0.63 0.00 0.04 -1.26 -4.90 135.00 132.60 1r4y s PRO 24 Ca 0.71 1.79 -0.26 0.00 0.04 0.00 0.00 61.00 63.29 1r4y s PRO 24 Cb -1.00 -3.61 -0.10 0.00 0.04 0.00 0.00 34.50 29.83 1r4y s PRO 24 CO 0.45 -0.55 2.40 -1.17 0.04 0.00 0.00 177.00 178.17 1r4y s LEU 25 N 2.54 3.16 0.00 -3.56 2.96 -1.26 -4.59 118.68 117.93 1r4y s LEU 25 Ca 0.59 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.09 1r4y s LEU 25 Cb -0.27 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 43.90 1r4y s LEU 25 CO 0.23 -3.33 0.00 -1.20 -1.32 0.00 0.00 176.35 170.73 1r4y n SER 26 N 17.11 0.00 -4.37 3.68 7.64 -1.26 -5.04 113.62 131.38 1r4y n SER 26 Ca 0.41 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.93 1r4y n SER 26 Cb 0.50 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.56 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 4.72 -1.02 6.43 -1.08 -1.26 -4.09 116.67 120.37 1r4y s ASP 27 Ca 0.00 -0.36 -0.16 0.00 -0.52 0.00 0.00 52.55 51.51 1r4y s ASP 27 Cb 0.00 -1.83 0.01 0.00 -1.46 0.00 0.00 42.92 39.64 1r4y s ASP 27 CO 0.00 -0.05 0.70 0.61 0.52 0.00 0.00 175.17 176.96 1r4y n GLY 28 N 4.85 -1.08 0.00 2.66 0.00 -0.39 -4.75 105.19 106.49 1r4y n GLY 28 Ca -0.17 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1r4y n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1r4y n LYS 29 N -3.67 1.50 -4.29 1.61 2.85 -1.23 -5.01 118.16 109.92 1r4y n LYS 29 Ca -0.15 -1.00 -0.28 0.00 -1.05 0.00 0.00 58.31 55.82 1r4y n LYS 29 Cb 0.60 -0.81 -0.10 0.00 -0.65 0.00 0.00 35.03 34.07 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1r4y s THR 30 N -0.53 3.07 0.16 0.58 -4.23 -1.25 -5.03 115.64 108.41 1r4y s THR 30 Ca 0.00 -1.58 -0.28 0.00 -1.18 0.00 0.00 61.69 58.65 1r4y s THR 30 Cb 0.00 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 1r4y s THR 30 CO 0.00 -0.02 1.49 0.61 -0.54 0.00 0.00 174.62 176.17 1r4y n GLY 31 N 0.37 -2.44 0.32 3.99 0.00 -1.08 -1.85 105.19 104.50 1r4y n GLY 31 Ca -0.13 1.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.91 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 -0.68 0.00 1.61 0.87 -1.56 -3.39 113.55 110.39 1r4y h SER 32 Ca 0.18 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1r4y h SER 32 Cb 0.42 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1r4y h SER 32 CO -0.92 -0.45 0.00 -1.20 -0.53 0.00 0.00 176.83 173.74 1r4y n SER 33 N -4.39 0.00 -4.66 6.23 7.64 -0.77 -5.05 113.62 112.62 1r4y n SER 33 Ca -0.10 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.38 1r4y n SER 33 Cb 0.32 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.54 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 -1.52 1.43 4.02 -1.26 -3.24 117.16 118.19 1r4y n TYR 34 Ca 0.00 0.49 -0.30 0.00 -0.01 0.00 0.00 57.90 58.08 1r4y n TYR 34 Cb 0.00 -2.28 0.08 0.00 -0.02 0.00 0.00 39.34 37.12 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 -2.39 2.25 0.30 -0.72 0.04 -1.26 -4.64 135.00 128.58 1r4y s PRO 35 Ca 0.67 0.75 0.04 0.00 0.04 0.00 0.00 61.00 62.49 1r4y s PRO 35 Cb -0.48 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1r4y s PRO 35 CO 0.54 -1.54 0.18 -3.38 0.04 0.00 0.00 177.00 172.84 1r4y s HIS 36 N -3.10 1.58 0.07 0.56 -3.43 -1.11 -1.26 115.29 108.60 1r4y s HIS 36 Ca 0.60 -1.44 -0.30 0.00 -0.80 0.00 0.00 55.06 53.12 1r4y s HIS 36 Cb -0.15 -0.79 -0.06 0.00 -1.43 0.00 0.00 32.58 30.16 1r4y s HIS 36 CO 0.55 -0.62 1.15 -0.46 -2.00 0.00 0.00 174.74 173.36 1r4y s TRP 37 N -3.63 3.49 -1.07 0.38 -0.00 -1.26 -2.20 118.94 114.64 1r4y s TRP 37 Ca 0.37 1.40 -0.07 0.00 -0.00 0.00 0.00 56.10 57.80 1r4y s TRP 37 Cb 0.05 -3.36 0.28 0.00 -0.00 0.00 0.00 33.47 30.43 1r4y s TRP 37 CO 0.19 -1.01 1.15 0.34 -0.00 0.00 0.00 176.95 177.61 1r4y n PHE 38 N 3.70 4.49 -0.64 5.86 7.35 0.13 -4.78 117.46 133.58 1r4y n PHE 38 Ca 0.08 -3.67 0.49 0.00 -0.76 0.00 0.00 57.45 53.58 1r4y n PHE 38 Cb 0.47 -1.52 0.77 0.00 0.35 0.00 0.00 39.48 39.56 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 2.30 -0.07 -1.24 -2.13 -2.24 -1.26 -4.40 114.28 105.23 1r4y n THR 39 Ca 0.24 1.56 -0.08 0.00 -2.27 0.00 0.00 64.05 63.50 1r4y n THR 39 Cb 0.38 -2.59 -0.04 0.00 -2.10 0.00 0.00 70.33 65.98 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 -4.13 -5.74 0.00 3.42 5.15 -1.26 -0.81 115.26 111.89 1r4y n ASN 40 Ca 0.43 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 54.62 1r4y n ASN 40 Cb 1.87 -3.98 0.00 0.00 -0.53 0.00 0.00 39.78 37.14 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 0.35 3.07 3.38 8.20 0.00 -1.26 -3.97 105.19 114.96 1r4y n GLY 41 Ca -0.08 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.65 0.10 1.61 4.01 0.01 -4.47 117.16 116.77 1r4y n TYR 42 Ca 0.00 0.27 -0.23 0.00 -0.16 0.00 0.00 57.90 57.79 1r4y n TYR 42 Cb 0.00 -1.80 -0.15 0.00 -0.31 0.00 0.00 39.34 37.07 1r4y n TYR 42 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1r4y h ASP 43 N -0.78 0.67 0.00 7.72 5.19 -1.76 -3.45 116.42 124.01 1r4y h ASP 43 Ca -0.44 -0.88 0.00 0.00 -0.62 0.00 0.00 57.03 55.09 1r4y h ASP 43 Cb 1.33 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1r4y h ASP 43 CO 0.38 1.72 0.00 0.61 -3.12 0.00 0.00 179.24 178.83 1r4y n GLY 44 N 1.79 -1.91 0.74 2.75 0.00 -1.26 -5.07 105.19 102.23 1r4y n GLY 44 Ca -0.21 0.55 -0.02 0.00 0.00 0.00 0.00 46.02 46.34 1r4y n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r4y n ASP 45 N -1.42 0.85 -3.11 1.61 8.00 -1.26 -3.13 116.55 118.09 1r4y n ASP 45 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1r4y n ASP 45 Cb 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1r4y n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r4y n GLY 46 N 2.89 -2.97 0.00 0.44 0.00 -1.26 -4.04 105.19 100.25 1r4y n GLY 46 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1r4y n GLY 46 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1r4y n LYS 47 N -1.33 0.23 -3.54 1.61 0.00 -1.26 -4.49 118.16 109.39 1r4y n LYS 47 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.08 1r4y n LYS 47 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.05 1r4y n LYS 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1r4y s LEU 48 N 0.00 2.90 1.12 -5.58 1.02 -1.26 -3.07 118.68 113.80 1r4y s LEU 48 Ca 0.00 -1.06 -0.18 0.00 0.02 0.00 0.00 54.13 52.91 1r4y s LEU 48 Cb 0.00 -1.41 0.26 0.00 0.02 0.00 0.00 46.19 45.05 1r4y s LEU 48 CO 0.00 -1.17 1.18 -2.16 0.02 0.00 0.00 176.35 174.22 1r4y s PRO 49 N -4.42 -0.59 -0.65 1.29 0.04 -1.26 -4.87 135.00 124.54 1r4y s PRO 49 Ca 0.45 -0.16 -0.25 0.00 0.04 0.00 0.00 61.00 61.08 1r4y s PRO 49 Cb -0.04 -1.68 0.04 0.00 0.04 0.00 0.00 34.50 32.87 1r4y s PRO 49 CO 0.28 -3.28 1.10 0.21 0.04 0.00 0.00 177.00 175.36 1r4y s LYS 50 N -5.55 3.24 0.00 4.56 2.20 -1.26 -4.28 119.74 118.65 1r4y s LYS 50 Ca 0.72 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1r4y s LYS 50 Cb -0.08 -4.15 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 1r4y s LYS 50 CO 0.55 -1.85 0.00 0.41 -0.36 0.00 0.00 175.35 174.10 1r4y n GLY 51 N 5.27 0.53 3.63 5.54 0.00 -1.26 -5.17 105.19 113.73 1r4y n GLY 51 Ca 0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 1r4y n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1r4y s ARG 52 N -0.20 1.93 -0.27 1.61 3.03 -1.26 -5.16 118.95 118.63 1r4y s ARG 52 Ca 0.00 -1.51 -0.01 0.00 2.03 0.00 0.00 55.73 56.25 1r4y s ARG 52 Cb 0.00 0.52 0.16 0.00 -1.03 0.00 0.00 34.95 34.59 1r4y s ARG 52 CO 0.00 -0.84 0.45 0.99 -1.13 0.00 0.00 175.30 174.77 1r4y s THR 53 N -3.08 -0.74 1.09 4.99 2.01 -1.26 -5.09 115.64 113.56 1r4y s THR 53 Ca 0.23 -0.10 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 1r4y s THR 53 Cb -0.02 -0.91 0.23 0.00 0.01 0.00 0.00 72.50 71.81 1r4y s THR 53 CO 0.14 -0.12 1.13 -2.16 -0.69 0.00 0.00 174.62 172.92 1r4y s PRO 54 N 2.64 -0.30 -0.12 4.92 0.04 -1.25 -4.87 135.00 136.06 1r4y s PRO 54 Ca 0.14 0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.15 1r4y s PRO 54 Cb -0.14 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 1r4y s PRO 54 CO -0.21 -3.14 0.34 0.42 0.04 0.00 0.00 177.00 174.45 1r4y s ILE 55 N -3.10 5.24 -0.15 0.56 1.01 -1.26 -5.07 121.20 118.44 1r4y s ILE 55 Ca 0.69 0.65 -0.08 0.00 0.00 0.00 0.00 60.65 61.91 1r4y s ILE 55 Cb -0.13 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1r4y s ILE 55 CO 0.56 0.44 0.13 -0.75 0.00 0.00 0.00 174.94 175.32 1r4y s LYS 56 N 0.05 3.68 0.04 2.79 2.36 -1.26 -4.92 119.74 122.47 1r4y s LYS 56 Ca 0.20 -0.17 0.00 0.00 -2.55 0.00 0.00 55.97 53.45 1r4y s LYS 56 Cb -0.14 -3.26 0.00 0.00 -1.05 0.00 0.00 37.83 33.38 1r4y s LYS 56 CO 0.07 0.62 0.00 1.19 1.55 0.00 0.00 175.35 178.78 1r4y n PHE 57 N 2.49 -0.08 0.00 4.03 3.72 -1.26 -4.93 117.46 121.44 1r4y n PHE 57 Ca -0.19 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1r4y n PHE 57 Cb 0.54 0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 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 2.99 0.88 3.74 1.37 0.00 -1.26 -5.12 105.19 107.79 1r4y n GLY 58 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1r4y n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4y s LYS 59 N 0.00 4.29 0.00 1.61 -0.14 -1.26 -4.95 119.74 119.30 1r4y s LYS 59 Ca 0.00 0.47 0.10 0.00 -1.36 0.00 0.00 55.97 55.19 1r4y s LYS 59 Cb 0.00 -3.40 0.50 0.00 -1.68 0.00 0.00 37.83 33.24 1r4y s LYS 59 CO 0.00 0.23 1.27 -1.13 -0.76 0.00 0.00 175.35 174.97 1r4y n SER 60 N 3.39 0.00 -0.08 2.83 3.41 -1.26 -0.42 113.62 121.49 1r4y n SER 60 Ca -0.08 0.29 -0.10 0.00 -0.26 0.00 0.00 58.87 58.72 1r4y n SER 60 Cb 0.52 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.95 4.04 3.32 -1.93 -2.73 116.42 120.07 1r4y h ASP 61 Ca 0.00 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 1r4y h ASP 61 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1r4y h ASP 61 CO 0.00 0.97 -0.01 0.00 -1.72 0.00 0.00 179.24 178.48 1r4y h ASP 63 N 0.00 0.73 -3.21 0.00 3.58 -0.90 -3.47 116.42 113.14 1r4y h ASP 63 Ca -0.00 -0.86 -0.53 0.00 0.42 0.00 0.00 57.03 56.05 1r4y h ASP 63 Cb 0.49 -0.23 0.22 0.00 1.72 0.00 0.00 39.33 41.53 1r4y h ASP 63 CO 0.00 1.52 -0.74 -2.11 -2.88 0.00 0.00 179.24 175.03 1r4y n ARG 64 N -3.93 -0.23 -2.35 0.28 1.85 -1.03 -4.92 116.66 106.33 1r4y n ARG 64 Ca -0.14 -0.03 -0.41 0.00 -1.00 0.00 0.00 57.85 56.27 1r4y n ARG 64 Cb 0.92 -1.74 -0.03 0.00 -1.05 0.00 0.00 32.46 30.56 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 -3.39 4.50 0.97 2.89 0.04 -1.26 -4.97 135.00 133.78 1r4y s PRO 65 Ca 0.55 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 63.39 1r4y s PRO 65 Cb -0.21 -3.20 0.17 0.00 0.04 0.00 0.00 34.50 31.30 1r4y s PRO 65 CO 0.69 -0.04 1.11 -1.25 0.04 0.00 0.00 177.00 177.55 1r4y s PRO 66 N -0.73 0.70 -0.42 0.56 0.04 -1.26 -4.89 135.00 129.00 1r4y s PRO 66 Ca 0.51 0.38 0.10 0.00 0.04 0.00 0.00 61.00 62.03 1r4y s PRO 66 Cb -0.34 -1.78 0.41 0.00 0.04 0.00 0.00 34.50 32.83 1r4y s PRO 66 CO 0.40 -2.52 0.98 1.17 0.04 0.00 0.00 177.00 177.07 1r4y n LYS 67 N -4.01 2.36 -1.68 4.56 4.81 -1.26 -4.39 118.16 118.55 1r4y n LYS 67 Ca 0.06 -4.04 -0.30 0.00 -0.87 0.00 0.00 58.31 53.16 1r4y n LYS 67 Cb 0.58 -1.87 0.08 0.00 0.02 0.00 0.00 35.03 33.85 1r4y n LYS 67 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1r4y s HIS 68 N -3.24 2.95 0.00 5.64 5.65 -1.18 -4.30 115.29 120.81 1r4y s HIS 68 Ca 0.41 1.05 0.00 0.00 0.25 0.00 0.00 55.06 56.77 1r4y s HIS 68 Cb 0.39 -3.17 0.00 0.00 -1.18 0.00 0.00 32.58 28.62 1r4y s HIS 68 CO -0.10 -1.67 0.00 0.45 -0.65 0.00 0.00 174.74 172.78 1r4y n SER 69 N -3.34 0.00 -4.16 9.88 2.88 -1.26 -4.41 113.62 113.21 1r4y n SER 69 Ca 0.07 -0.53 -0.43 0.00 -1.33 0.00 0.00 58.87 56.65 1r4y n SER 69 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1r4y n SER 69 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1r4y n LYS 70 N 0.00 3.27 0.00 -1.46 5.02 -1.26 -3.76 118.16 119.97 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 0.00 -3.19 0.00 0.00 -0.02 0.00 0.00 35.03 31.82 1r4y n LYS 70 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1r4y n ASP 71 N 5.97 0.00 0.00 4.39 2.03 -1.26 -5.04 116.55 122.65 1r4y n ASP 71 Ca 0.44 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.75 1r4y n ASP 71 Cb 0.41 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r4y n GLY 72 N -0.86 3.50 2.69 0.27 0.00 -1.25 -4.79 105.19 104.76 1r4y n GLY 72 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 1r4y n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r4y s ASN 73 N 0.00 -0.07 0.00 1.61 2.47 -1.26 -4.54 114.94 113.15 1r4y s ASN 73 Ca 0.00 -2.03 0.00 0.00 0.42 0.00 0.00 52.86 51.25 1r4y s ASN 73 Cb 0.00 0.93 0.00 0.00 -1.45 0.00 0.00 41.25 40.73 1r4y s ASN 73 CO 0.00 -0.14 0.00 0.61 -3.72 0.00 0.00 177.10 173.85 1r4y n GLY 74 N 3.30 -2.32 0.00 1.21 0.00 -1.26 -4.85 105.19 101.27 1r4y n GLY 74 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.39 1.61 5.02 -1.26 -4.62 118.16 118.52 1r4y n LYS 75 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1r4y n LYS 75 Cb 0.00 -0.08 0.24 0.00 -0.02 0.00 0.00 35.03 35.17 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 1.83 -0.66 -0.18 5.66 -1.26 -5.02 114.28 114.65 1r4y n THR 76 Ca 0.00 -1.50 -0.22 0.00 -3.05 0.00 0.00 64.05 59.28 1r4y n THR 76 Cb 0.00 0.04 -0.07 0.00 -1.55 0.00 0.00 70.33 68.75 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 0.05 0.21 -0.61 1.09 9.92 -1.26 -4.71 116.55 121.24 1r4y n ASP 77 Ca 0.19 0.16 0.03 0.00 -0.53 0.00 0.00 54.79 54.64 1r4y n ASP 77 Cb 0.75 -0.43 0.10 0.00 -0.64 0.00 0.00 41.12 40.91 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 4.41 0.42 -1.17 1.24 1.44 -1.26 -4.67 115.22 115.63 1r4y n HIS 78 Ca 0.29 -0.17 -0.45 0.00 -2.01 0.00 0.00 57.72 55.38 1r4y n HIS 78 Cb 0.00 -0.09 -0.05 0.00 0.12 0.00 0.00 29.99 29.97 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 0.15 0.30 -2.01 -1.40 4.11 -1.26 -3.00 117.16 114.06 1r4y n TYR 79 Ca 0.08 0.82 -0.33 0.00 -0.00 0.00 0.00 57.90 58.47 1r4y n TYR 79 Cb 0.33 -1.63 0.01 0.00 -0.00 0.00 0.00 39.34 38.05 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 0.55 3.47 -0.02 -3.48 1.43 -1.26 -3.25 118.68 116.12 1r4y s LEU 80 Ca 0.67 1.81 -0.03 0.00 -1.03 0.00 0.00 54.13 55.55 1r4y s LEU 80 Cb -0.94 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 40.75 1r4y s LEU 80 CO 0.45 -1.20 0.07 -0.76 0.23 0.00 0.00 176.35 175.14 1r4y s LEU 81 N -4.57 1.75 0.30 1.79 1.02 -0.67 0.22 118.68 118.52 1r4y s LEU 81 Ca 0.63 -0.01 0.08 0.00 0.02 0.00 0.00 54.13 54.86 1r4y s LEU 81 Cb -0.16 0.32 -0.04 0.00 0.02 0.00 0.00 46.19 46.33 1r4y s LEU 81 CO 0.38 -0.13 0.17 -1.83 0.02 0.00 0.00 176.35 174.96 1r4y s GLU 82 N -0.45 2.59 -0.17 1.70 1.03 -0.94 -2.67 118.70 119.80 1r4y s GLU 82 Ca -0.05 -1.33 -0.08 0.00 0.03 0.00 0.00 54.97 53.54 1r4y s GLU 82 Cb -0.03 -2.35 0.07 0.00 -0.80 0.00 0.00 34.13 31.01 1r4y s GLU 82 CO 0.00 0.23 0.38 0.12 -1.33 0.00 0.00 175.26 174.66 1r4y s PHE 83 N -2.30 -0.60 -0.60 4.83 5.36 -0.93 -2.74 117.98 120.99 1r4y s PHE 83 Ca 0.36 1.26 -0.27 0.00 -0.96 0.00 0.00 56.93 57.32 1r4y s PHE 83 Cb -0.06 0.22 -0.01 0.00 -0.34 0.00 0.00 43.02 42.84 1r4y s PHE 83 CO 0.24 -0.37 1.72 -1.25 -1.46 0.00 0.00 175.22 174.09 1r4y s PRO 84 N 1.81 2.84 -0.34 10.12 0.04 -1.26 -1.06 135.00 147.15 1r4y s PRO 84 Ca -0.06 0.52 -0.12 0.00 0.04 0.00 0.00 61.00 61.38 1r4y s PRO 84 Cb -0.10 -4.31 -0.01 0.00 0.04 0.00 0.00 34.50 30.12 1r4y s PRO 84 CO -0.12 -2.49 0.23 -0.08 0.04 0.00 0.00 177.00 174.58 1r4y s THR 85 N 8.06 5.12 0.61 1.26 -1.32 -1.20 -4.83 115.64 123.35 1r4y s THR 85 Ca 0.61 -0.31 -0.10 0.00 -1.21 0.00 0.00 61.69 60.69 1r4y s THR 85 Cb -0.12 -3.65 -0.03 0.00 -1.51 0.00 0.00 72.50 67.19 1r4y s THR 85 CO 0.21 -0.02 1.00 -0.36 -2.21 0.00 0.00 174.62 173.24 1r4y s PHE 86 N 1.69 3.55 0.04 9.09 0.08 -1.26 -4.81 117.98 126.36 1r4y s PHE 86 Ca 0.06 1.15 -0.17 0.00 0.12 0.00 0.00 56.93 58.09 1r4y s PHE 86 Cb -0.17 -2.71 -0.25 0.00 -0.57 0.00 0.00 43.02 39.31 1r4y s PHE 86 CO 0.10 -0.71 1.12 -1.00 -0.10 0.00 0.00 175.22 174.62 1r4y h PRO 87 N -0.29 0.57 -1.44 0.24 0.13 -1.95 -3.19 132.00 126.07 1r4y h PRO 87 Ca -0.45 -0.67 0.42 0.00 -0.87 0.00 0.00 66.00 64.44 1r4y h PRO 87 Cb 1.21 0.20 -0.07 0.00 0.13 0.00 0.00 31.00 32.47 1r4y h PRO 87 CO 0.62 1.27 1.02 -0.44 -0.23 0.00 0.00 178.00 180.25 1r4y h ASP 88 N 0.16 0.05 0.00 1.44 5.19 -1.95 -3.44 116.42 117.87 1r4y h ASP 88 Ca -0.13 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1r4y h ASP 88 Cb 1.64 0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.16 1r4y h ASP 88 CO 0.18 -0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.90 1r4y n GLY 89 N -1.78 1.08 3.71 2.75 0.00 -1.21 -5.01 105.19 104.74 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 -2.38 0.00 0.00 0.00 173.32 170.94 1r4y s HIS 90 N -2.82 2.61 -0.70 1.61 -3.43 -1.26 -4.85 115.29 106.44 1r4y s HIS 90 Ca 0.00 0.26 -0.26 0.00 -0.80 0.00 0.00 55.06 54.26 1r4y s HIS 90 Cb 0.00 -4.10 -0.11 0.00 -1.43 0.00 0.00 32.58 26.94 1r4y s HIS 90 CO 0.00 -4.31 2.37 0.34 -2.00 0.00 0.00 174.74 171.14 1r4y s ASP 91 N 1.86 4.15 0.27 7.38 -1.08 -1.26 -4.75 116.67 123.25 1r4y s ASP 91 Ca 0.76 0.32 -0.23 0.00 -0.52 0.00 0.00 52.55 52.89 1r4y s ASP 91 Cb -0.46 -2.54 -0.15 0.00 -1.46 0.00 0.00 42.92 38.31 1r4y s ASP 91 CO 0.33 -3.48 0.28 0.00 0.52 0.00 0.00 175.17 172.82 1r4y n TYR 92 N 17.45 -1.17 -1.30 -5.34 9.36 -1.26 -4.77 117.16 130.13 1r4y n TYR 92 Ca 0.43 0.73 -0.37 0.00 3.32 0.00 0.00 57.90 62.01 1r4y n TYR 92 Cb 0.47 -1.71 -0.02 0.00 -0.63 0.00 0.00 39.34 37.44 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 3.27 0.00 2.98 2.85 -1.26 -4.48 118.16 122.58 1r4y n LYS 93 Ca 0.13 -2.15 0.14 0.00 -1.05 0.00 0.00 58.31 55.38 1r4y n LYS 93 Cb 0.30 -2.84 0.64 0.00 -0.65 0.00 0.00 35.03 32.48 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 4.22 0.00 -0.08 5.58 1.16 -1.26 -3.58 117.46 123.50 1r4y n PHE 94 Ca 0.69 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 56.15 1r4y n PHE 94 Cb 0.25 -0.40 -0.15 0.00 -1.61 0.00 0.00 39.48 37.57 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 -1.40 0.72 -4.57 5.98 2.03 -1.26 -2.09 116.55 115.95 1r4y n ASP 95 Ca 0.10 0.08 -0.43 0.00 0.52 0.00 0.00 54.79 55.06 1r4y n ASP 95 Cb 0.30 0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 41.05 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 -5.93 6.46 0.12 1.67 0.01 -1.24 -2.63 113.70 112.16 1r4y s SER 96 Ca -0.14 0.07 -0.20 0.00 1.31 0.00 0.00 55.95 56.98 1r4y s SER 96 Cb 0.07 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.70 1r4y s SER 96 CO 0.78 -1.35 1.76 0.07 0.41 0.00 0.00 173.24 174.91 1r4y h LYS 97 N 9.40 0.15 -3.29 12.44 2.10 -1.86 -3.36 116.57 132.16 1r4y h LYS 97 Ca -0.25 -0.01 -0.27 0.00 -2.00 0.00 0.00 60.65 58.13 1r4y h LYS 97 Cb 1.06 -0.03 -0.33 0.00 -0.90 0.00 0.00 32.23 32.03 1r4y h LYS 97 CO 1.14 0.10 -0.63 -1.59 -2.00 0.00 0.00 179.45 176.47 1r4y s LYS 98 N -6.18 0.05 1.15 0.07 -2.85 -1.26 -3.97 119.74 106.74 1r4y s LYS 98 Ca -0.13 0.36 -0.18 0.00 -1.00 0.00 0.00 55.97 55.02 1r4y s LYS 98 Cb 0.08 -0.22 0.26 0.00 -2.06 0.00 0.00 37.83 35.90 1r4y s LYS 98 CO 0.68 -0.19 1.14 -1.25 0.10 0.00 0.00 175.35 175.83 1r4y s PRO 99 N 1.33 -0.79 0.01 1.78 0.04 -1.26 -5.19 135.00 130.93 1r4y s PRO 99 Ca -0.07 -0.06 -0.01 0.00 0.04 0.00 0.00 61.00 60.91 1r4y s PRO 99 Cb -0.12 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 1r4y s PRO 99 CO -0.05 -3.42 -0.01 -1.59 0.04 0.00 0.00 177.00 171.97 1r4y s LYS 100 N -5.43 0.22 0.34 4.56 0.00 -1.25 -4.77 119.74 113.41 1r4y s LYS 100 Ca 0.71 -0.38 0.06 0.00 0.00 0.00 0.00 55.97 56.36 1r4y s LYS 100 Cb -0.10 0.08 -0.01 0.00 0.00 0.00 0.00 37.83 37.80 1r4y s LYS 100 CO 0.56 -0.04 0.48 -2.00 0.00 0.00 0.00 175.35 174.35 1r4y s GLU 101 N -0.95 3.12 0.73 1.78 -6.30 -1.26 -5.08 118.70 110.75 1r4y s GLU 101 Ca -0.10 -0.98 -0.16 0.00 -2.50 0.00 0.00 54.97 51.23 1r4y s GLU 101 Cb -0.06 -2.81 0.02 0.00 0.00 0.00 0.00 34.13 31.28 1r4y s GLU 101 CO -0.01 0.05 1.04 -1.71 0.02 0.00 0.00 175.26 174.66 1r4y n ASN 102 N -1.66 0.74 -2.82 -1.70 5.15 -1.26 -5.02 115.26 108.68 1r4y n ASN 102 Ca -0.00 0.67 0.00 0.00 -0.60 0.00 0.00 54.58 54.64 1r4y n ASN 102 Cb 0.58 -1.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.39 1r4y n ASN 102 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r4y n PRO 103 N -2.14 0.25 -4.20 1.20 -0.04 -1.26 -5.06 135.00 123.75 1r4y n PRO 103 Ca 0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 1r4y n PRO 103 Cb 0.49 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.85 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 0.92 -0.03 0.55 0.00 -1.26 -5.09 107.32 100.60 1r4y s GLY 104 Ca 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 44.72 43.34 1r4y s GLY 104 CO 0.00 -1.42 0.34 -0.56 0.00 0.00 0.00 173.10 171.46 1r4y h PRO 105 N 3.17 -0.19 -6.89 2.90 0.13 -1.94 -3.45 132.00 125.73 1r4y h PRO 105 Ca -0.37 0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.26 1r4y h PRO 105 Cb 1.19 0.04 0.05 0.00 0.13 0.00 0.00 31.00 32.41 1r4y h PRO 105 CO 0.59 -0.13 0.56 0.00 -0.23 0.00 0.00 178.00 178.79 1r4y s ALA 106 N -3.24 3.36 -0.02 -0.56 0.00 -1.26 -4.42 121.76 115.62 1r4y s ALA 106 Ca -0.03 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.99 1r4y s ALA 106 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1r4y s ALA 106 CO 0.09 -0.53 0.09 1.03 0.00 0.00 0.00 175.76 176.44 1r4y s ARG 107 N -1.91 0.23 -0.14 0.00 0.52 -0.28 -3.21 118.95 114.16 1r4y s ARG 107 Ca 0.51 -0.10 -0.26 0.00 -0.52 0.00 0.00 55.73 55.36 1r4y s ARG 107 Cb -0.35 0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.20 1r4y s ARG 107 CO 0.46 -0.04 0.87 0.54 0.02 0.00 0.00 175.30 177.14 1r4y s VAL 108 N -0.52 4.87 -0.09 3.52 0.11 -0.22 -1.68 120.40 126.39 1r4y s VAL 108 Ca -0.06 1.73 -0.04 0.00 -2.93 0.00 0.00 61.98 60.68 1r4y s VAL 108 Cb -0.04 -4.18 -0.04 0.00 -1.53 0.00 0.00 36.38 30.60 1r4y s VAL 108 CO 0.00 0.04 0.06 -0.63 -3.33 0.00 0.00 175.10 171.25 1r4y s ILE 109 N 1.99 4.83 -0.07 7.04 -1.09 -0.72 -2.20 121.20 130.98 1r4y s ILE 109 Ca 0.41 -0.07 -0.30 0.00 -2.23 0.00 0.00 60.65 58.46 1r4y s ILE 109 Cb -0.17 -3.08 0.10 0.00 -1.58 0.00 0.00 42.46 37.73 1r4y s ILE 109 CO 0.14 0.59 0.82 -0.72 -1.23 0.00 0.00 174.94 174.54 1r4y s TYR 110 N -0.97 -0.50 0.56 3.97 -0.85 -1.09 -0.18 117.35 118.29 1r4y s TYR 110 Ca 0.15 0.76 -0.03 0.00 -0.52 0.00 0.00 57.07 57.43 1r4y s TYR 110 Cb -0.12 0.45 0.02 0.00 0.38 0.00 0.00 41.96 42.70 1r4y s TYR 110 CO 0.04 -0.52 0.83 0.95 -1.52 0.00 0.00 175.55 175.33 1r4y s THR 111 N -1.61 3.29 0.16 -3.49 -4.23 -1.23 -1.67 115.64 106.86 1r4y s THR 111 Ca -0.05 -0.33 0.07 0.00 -1.18 0.00 0.00 61.69 60.20 1r4y s THR 111 Cb -0.00 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 1r4y s THR 111 CO 0.03 -0.24 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.38 1r4y s TYR 112 N -2.86 2.84 -0.06 3.99 6.14 -1.16 -3.17 117.35 123.07 1r4y s TYR 112 Ca 0.54 -0.13 -0.19 0.00 0.64 0.00 0.00 57.07 57.93 1r4y s TYR 112 Cb -0.10 -1.39 -0.14 0.00 0.42 0.00 0.00 41.96 40.74 1r4y s TYR 112 CO 0.42 0.51 0.76 -1.00 0.64 0.00 0.00 175.55 176.88 1r4y h PRO 113 N 2.85 -0.22 -6.03 4.97 0.13 -1.84 -3.37 132.00 128.50 1r4y h PRO 113 Ca -0.47 0.01 -0.76 0.00 -0.87 0.00 0.00 66.00 63.91 1r4y h PRO 113 Cb 1.20 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1r4y h PRO 113 CO 0.58 0.18 1.15 -1.71 -0.23 0.00 0.00 178.00 177.97 1r4y n ASN 114 N -4.92 1.48 -4.44 1.44 2.85 -1.26 -4.70 115.26 105.72 1r4y n ASN 114 Ca -0.07 0.78 -0.22 0.00 -0.11 0.00 0.00 54.58 54.96 1r4y n ASN 114 Cb 0.25 -1.03 -0.10 0.00 1.24 0.00 0.00 39.78 40.14 1r4y n ASN 114 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1r4y n LYS 115 N 6.66 0.57 -1.53 1.20 5.02 -1.21 -4.29 118.16 124.58 1r4y n LYS 115 Ca 0.42 -1.87 -0.41 0.00 -2.02 0.00 0.00 58.31 54.43 1r4y n LYS 115 Cb 0.05 -3.71 -0.04 0.00 -0.02 0.00 0.00 35.03 31.31 1r4y n LYS 115 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r4y n VAL 116 N 8.42 2.41 -1.20 -0.18 0.31 -1.19 -4.79 118.33 122.10 1r4y n VAL 116 Ca 0.43 -2.20 -0.44 0.00 -0.01 0.00 0.00 64.34 62.12 1r4y n VAL 116 Cb 0.46 -2.38 -0.12 0.00 -0.91 0.00 0.00 33.84 30.90 1r4y n VAL 116 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1r4y n PHE 117 N 8.13 0.75 0.02 3.52 7.35 -1.26 -3.56 117.46 132.41 1r4y n PHE 117 Ca 0.50 0.50 -0.20 0.00 -0.76 0.00 0.00 57.45 57.48 1r4y n PHE 117 Cb 0.41 -2.04 -0.14 0.00 0.35 0.00 0.00 39.48 38.06 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 1.68 -0.38 3.20 0.00 0.00 -1.22 -4.94 105.19 103.53 1r4y n GLY 119 Ca -0.19 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 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 1.39 0.04 -0.61 -1.09 -1.26 -1.76 121.20 113.91 1r4y s ILE 120 Ca 0.00 -1.12 0.01 0.00 -2.23 0.00 0.00 60.65 57.31 1r4y s ILE 120 Cb 0.00 -1.23 -0.03 0.00 -1.58 0.00 0.00 42.46 39.62 1r4y s ILE 120 CO 0.00 0.08 -0.06 0.27 -1.23 0.00 0.00 174.94 174.00 1r4y s ILE 121 N -0.85 0.41 0.00 2.92 -4.36 -0.68 0.27 121.20 118.92 1r4y s ILE 121 Ca 0.04 -1.19 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 1r4y s ILE 121 Cb -0.08 -0.71 0.00 0.00 1.25 0.00 0.00 42.46 42.92 1r4y s ILE 121 CO 0.02 -0.52 0.00 0.00 0.24 0.00 0.00 174.94 174.68 1r4y n ALA 122 N 1.22 0.00 -2.89 2.27 0.00 -0.65 -1.12 120.51 119.34 1r4y n ALA 122 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 1r4y n ALA 122 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 2.88 -0.45 0.00 -3.43 -1.26 -3.24 115.29 109.79 1r4y s HIS 123 Ca 0.00 -0.94 0.03 0.00 -0.80 0.00 0.00 55.06 53.34 1r4y s HIS 123 Cb 0.00 -4.29 0.57 0.00 -1.43 0.00 0.00 32.58 27.43 1r4y s HIS 123 CO 0.00 -1.57 1.87 -2.37 -2.00 0.00 0.00 174.74 170.67 1r4y n THR 124 N 5.76 3.10 0.01 -5.38 5.66 -1.26 -4.39 114.28 117.77 1r4y n THR 124 Ca 0.09 -1.92 -0.21 0.00 -3.05 0.00 0.00 64.05 58.96 1r4y n THR 124 Cb 0.47 -0.64 -0.14 0.00 -1.55 0.00 0.00 70.33 68.47 1r4y n THR 124 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1r4y h LYS 125 N 1.09 0.23 0.00 1.09 3.64 -1.89 -3.50 116.57 117.24 1r4y h LYS 125 Ca 0.58 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1r4y h LYS 125 Cb 2.37 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 34.34 1r4y h LYS 125 CO 1.09 1.19 0.00 0.39 -2.27 0.00 0.00 179.45 179.85 1r4y n GLU 126 N -4.04 0.00 -1.00 1.90 -0.58 -1.26 -4.97 120.64 110.69 1r4y n GLU 126 Ca -0.22 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.46 1r4y n GLU 126 Cb 0.85 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.65 1r4y n GLU 126 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1r4y n ASN 127 N 0.00 -0.97 -2.87 1.62 5.15 -1.26 -5.04 115.26 111.89 1r4y n ASN 127 Ca 0.00 -1.99 0.01 0.00 -0.60 0.00 0.00 54.58 52.01 1r4y n ASN 127 Cb 0.00 0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 1r4y n ASN 127 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1r4y s GLN 128 N 0.00 0.34 0.00 1.20 -0.21 -1.26 -5.12 119.66 114.61 1r4y s GLN 128 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1r4y s GLN 128 Cb 0.00 0.04 0.00 0.00 1.00 0.00 0.00 33.01 34.05 1r4y s GLN 128 CO -0.00 -0.49 0.00 0.41 -2.12 0.00 0.00 175.29 173.09 1r4y n GLY 129 N 3.84 0.31 2.64 3.09 0.00 -1.26 -4.97 105.19 108.84 1r4y n GLY 129 Ca 0.07 0.65 -0.34 0.00 0.00 0.00 0.00 46.02 46.40 1r4y n GLY 129 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1r4y n GLU 130 N 0.00 0.00 -1.68 1.61 2.13 -1.26 -4.64 120.64 116.80 1r4y n GLU 130 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 1r4y n GLU 130 Cb 0.00 -0.80 0.05 0.00 0.27 0.00 0.00 31.44 30.96 1r4y n GLU 130 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1r4y n LEU 131 N 1.85 4.72 -4.32 4.31 4.32 -1.26 -4.61 117.00 122.01 1r4y n LEU 131 Ca 0.09 0.88 -0.25 0.00 -0.02 0.00 0.00 56.01 56.71 1r4y n LEU 131 Cb 0.31 -1.48 -0.13 0.00 -1.62 0.00 0.00 43.42 40.50 1r4y n LEU 131 CO 0.44 -1.25 -0.53 -1.59 -1.22 0.00 0.00 177.39 173.24 1r4y s LYS 132 N -2.88 1.21 0.15 3.23 -2.85 -1.20 -4.76 119.74 112.64 1r4y s LYS 132 Ca 0.75 -1.22 -0.31 0.00 -1.00 0.00 0.00 55.97 54.19 1r4y s LYS 132 Cb -0.42 -1.54 -0.11 0.00 -2.06 0.00 0.00 37.83 33.70 1r4y s LYS 132 CO 0.47 0.36 1.73 -1.17 0.10 0.00 0.00 175.35 176.83 1r4y s LEU 133 N -1.95 4.38 0.00 2.77 2.96 -1.26 -1.64 118.68 123.94 1r4y s LEU 133 Ca 0.09 2.74 -0.10 0.00 -0.22 0.00 0.00 54.13 56.64 1r4y s LEU 133 Cb -0.10 -3.58 0.14 0.00 0.50 0.00 0.00 46.19 43.15 1r4y s LEU 133 CO 0.05 -0.95 0.46 0.00 -1.32 0.00 0.00 176.35 174.59 1r4y s SER 135 N -2.73 0.61 0.00 0.00 0.01 -0.98 -4.86 113.70 105.75 1r4y s SER 135 Ca 0.31 -0.38 0.11 0.00 1.31 0.00 0.00 55.95 57.31 1r4y s SER 135 Cb -0.04 0.99 0.68 0.00 0.21 0.00 0.00 66.02 67.87 1r4y s SER 135 CO 0.24 -0.35 1.12 0.00 0.41 0.00 0.00 173.24 174.66