#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 -0.52 -3.45 0.00 3.14 -1.26 -4.28 118.33 111.96 1r4y n VAL 2 Ca 0.00 0.18 -0.43 0.00 -2.96 0.00 0.00 64.34 61.13 1r4y n VAL 2 Cb 0.00 -0.29 -0.08 0.00 -1.06 0.00 0.00 33.84 32.41 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 -3.82 4.95 0.33 1.55 2.01 -1.26 -0.10 115.64 119.30 1r4y s THR 3 Ca 0.00 -1.16 -0.28 0.00 0.31 0.00 0.00 61.69 60.57 1r4y s THR 3 Cb 0.00 -3.97 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 1r4y s THR 3 CO 0.00 -0.56 1.10 0.26 -0.69 0.00 0.00 174.62 174.74 1r4y s TRP 4 N 1.58 3.42 0.02 4.92 0.52 0.62 -4.54 118.94 125.48 1r4y s TRP 4 Ca 0.04 1.66 0.02 0.00 0.02 0.00 0.00 56.10 57.84 1r4y s TRP 4 Cb -0.24 -3.27 -0.01 0.00 -1.15 0.00 0.00 33.47 28.80 1r4y s TRP 4 CO 0.05 -0.71 -0.07 0.99 0.02 0.00 0.00 176.95 177.23 1r4y s THR 5 N -1.31 0.55 -0.17 2.01 2.01 -1.26 0.18 115.64 117.64 1r4y s THR 5 Ca 0.49 -0.63 0.14 0.00 0.31 0.00 0.00 61.69 62.00 1r4y s THR 5 Cb -0.30 -0.53 0.43 0.00 0.01 0.00 0.00 72.50 72.11 1r4y s THR 5 CO 0.38 -0.08 1.21 0.00 -0.69 0.00 0.00 174.62 175.44 1r4y n GLY 7 N -0.75 -0.50 0.04 0.00 0.00 -1.26 -4.67 105.19 98.05 1r4y n GLY 7 Ca 0.17 0.20 0.01 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.34 3.66 -0.02 0.00 -1.26 -5.02 105.19 102.21 1r4y n GLY 8 Ca 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.02 3.77 0.44 0.99 1.02 -1.26 -5.11 118.68 117.51 1r4y s LEU 9 Ca 0.01 0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.30 1r4y s LEU 9 Cb 0.01 -1.93 -0.00 0.00 0.02 0.00 0.00 46.19 44.30 1r4y s LEU 9 CO 0.04 0.25 0.65 -0.76 0.02 0.00 0.00 176.35 176.55 1r4y s LEU 10 N -0.08 3.68 -0.46 1.79 1.02 -1.26 -3.35 118.68 120.01 1r4y s LEU 10 Ca 0.06 0.20 0.07 0.00 0.02 0.00 0.00 54.13 54.48 1r4y s LEU 10 Cb -0.12 -3.09 0.18 0.00 0.02 0.00 0.00 46.19 43.18 1r4y s LEU 10 CO 0.01 -0.68 0.64 -0.31 0.02 0.00 0.00 176.35 176.03 1r4y s TYR 11 N -2.51 -1.36 -0.04 0.29 2.02 0.13 -4.11 117.35 111.77 1r4y s TYR 11 Ca 0.48 -0.44 -0.35 0.00 -0.37 0.00 0.00 57.07 56.40 1r4y s TYR 11 Cb -0.10 0.17 -0.13 0.00 -0.40 0.00 0.00 41.96 41.51 1r4y s TYR 11 CO 0.37 -1.19 1.78 -1.71 -1.57 0.00 0.00 175.55 173.23 1r4y n ASN 12 N 3.53 3.21 -0.15 2.29 5.15 -1.26 -0.28 115.26 127.76 1r4y n ASN 12 Ca 0.16 1.01 -0.03 0.00 -0.60 0.00 0.00 54.58 55.13 1r4y n ASN 12 Cb 0.55 -1.36 0.05 0.00 -0.53 0.00 0.00 39.78 38.49 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 8.10 0.12 -1.10 1.20 4.15 -0.69 0.23 115.11 127.11 1r4y h GLN 13 Ca -0.47 -0.01 0.30 0.00 0.77 0.00 0.00 58.65 59.24 1r4y h GLN 13 Cb 1.27 -0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.85 1r4y h GLN 13 CO 0.93 0.08 0.73 -0.97 -1.93 0.00 0.00 178.83 177.66 1r4y h ASN 14 N 0.12 0.33 0.11 -0.69 -0.73 -1.83 0.27 115.58 113.14 1r4y h ASN 14 Ca 0.24 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.48 1r4y h ASN 14 Cb 0.36 0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.98 1r4y h ASN 14 CO -0.40 0.04 -0.05 0.11 -0.37 0.00 0.00 177.43 176.76 1r4y h LYS 15 N 0.27 -0.14 -1.14 6.67 1.57 -1.16 0.38 116.57 123.03 1r4y h LYS 15 Ca 0.61 0.01 0.38 0.00 -1.87 0.00 0.00 60.65 59.78 1r4y h LYS 15 Cb 1.79 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.99 1r4y h LYS 15 CO -0.25 0.26 0.69 0.00 -0.57 0.00 0.00 179.45 179.58 1r4y h ALA 16 N -0.53 2.34 0.00 3.86 0.00 0.99 0.72 119.26 126.63 1r4y h ALA 16 Ca -0.01 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1r4y h ALA 16 Cb 0.46 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1r4y h ALA 16 CO 0.02 -0.96 -0.22 1.05 0.00 0.00 0.00 179.25 179.14 1r4y h GLU 17 N 0.18 0.00 -0.05 0.00 4.11 -0.69 -3.24 114.58 114.90 1r4y h GLU 17 Ca 0.77 0.00 0.01 0.00 0.07 0.00 0.00 59.36 60.22 1r4y h GLU 17 Cb 2.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.36 1r4y h GLU 17 CO -0.52 0.69 0.12 1.03 0.07 0.00 0.00 179.01 180.40 1r4y h SER 18 N -1.00 0.00 -0.01 3.06 0.87 0.42 0.98 113.55 117.87 1r4y h SER 18 Ca -0.05 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 1r4y h SER 18 Cb 0.77 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1r4y h SER 18 CO -0.03 0.00 -0.37 -1.13 -0.53 0.00 0.00 176.83 174.77 1r4y h ASN 19 N 0.00 0.34 0.33 6.23 -0.00 0.25 -3.01 115.58 119.72 1r4y h ASN 19 Ca 0.02 -0.75 0.00 0.00 -0.00 0.00 0.00 56.30 55.58 1r4y h ASN 19 Cb 0.27 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.49 1r4y h ASN 19 CO -0.00 1.05 0.00 -0.24 -0.00 0.00 0.00 177.43 178.23 1r4y n SER 20 N -4.41 0.00 -0.03 1.15 2.88 0.20 -3.11 113.62 110.30 1r4y n SER 20 Ca -0.10 0.12 -0.16 0.00 -1.33 0.00 0.00 58.87 57.41 1r4y n SER 20 Cb 0.55 -0.32 -0.09 0.00 -0.75 0.00 0.00 64.21 63.61 1r4y n SER 20 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1r4y h HIS 21 N 0.00 0.73 0.12 0.66 3.86 -1.01 -3.30 115.15 116.21 1r4y h HIS 21 Ca 0.00 -0.32 -0.29 0.00 -1.16 0.00 0.00 60.37 58.60 1r4y h HIS 21 Cb 0.16 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1r4y h HIS 21 CO 0.00 1.11 -1.37 0.45 0.86 0.00 0.00 177.93 178.98 1r4y h HIS 22 N 0.14 0.47 -1.22 2.45 3.86 -1.67 -3.47 115.15 115.70 1r4y h HIS 22 Ca -0.04 -0.34 -0.78 0.00 -1.16 0.00 0.00 60.37 58.05 1r4y h HIS 22 Cb 1.18 -0.02 0.03 0.00 1.06 0.00 0.00 27.41 29.66 1r4y h HIS 22 CO 0.11 1.32 0.45 0.00 0.86 0.00 0.00 177.93 180.67 1r4y n ALA 23 N -2.59 -1.93 -2.34 2.45 0.00 -1.18 -4.86 120.51 110.06 1r4y n ALA 23 Ca -0.12 0.52 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 1r4y n ALA 23 Cb 1.03 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 1.50 4.35 -0.24 0.00 0.04 -1.26 -4.93 135.00 134.46 1r4y s PRO 24 Ca 0.95 1.84 -0.28 0.00 0.04 0.00 0.00 61.00 63.54 1r4y s PRO 24 Cb -1.24 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 29.79 1r4y s PRO 24 CO 0.63 -0.44 2.01 -1.17 0.04 0.00 0.00 177.00 178.08 1r4y s LEU 25 N 1.84 3.57 -0.02 -3.56 2.96 -1.26 -4.71 118.68 117.50 1r4y s LEU 25 Ca 0.60 1.73 -0.29 0.00 -0.22 0.00 0.00 54.13 55.95 1r4y s LEU 25 Cb -0.29 -3.52 0.11 0.00 0.50 0.00 0.00 46.19 42.99 1r4y s LEU 25 CO 0.26 -1.76 1.30 -0.55 -1.32 0.00 0.00 176.35 174.29 1r4y s SER 26 N 6.96 -0.02 -0.68 3.68 0.15 -1.26 -5.04 113.70 117.49 1r4y s SER 26 Ca 0.91 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 57.40 1r4y s SER 26 Cb -0.30 0.14 0.17 0.00 -1.71 0.00 0.00 66.02 64.33 1r4y s SER 26 CO 0.35 -0.28 0.49 -0.62 1.20 0.00 0.00 173.24 174.38 1r4y s ASP 27 N -3.44 5.10 -0.19 5.45 2.15 -1.26 -4.45 116.67 120.04 1r4y s ASP 27 Ca 0.23 -3.34 -0.01 0.00 0.43 0.00 0.00 52.55 49.86 1r4y s ASP 27 Cb 0.02 -1.77 0.00 0.00 -0.30 0.00 0.00 42.92 40.87 1r4y s ASP 27 CO -0.02 -0.23 0.18 0.61 -0.17 0.00 0.00 175.17 175.54 1r4y n GLY 28 N 2.76 -0.59 2.65 2.66 0.00 -1.12 -4.64 105.19 106.91 1r4y n GLY 28 Ca 0.13 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1r4y n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 29 N -1.10 1.15 -4.03 1.61 4.76 -1.26 -5.05 118.16 114.24 1r4y n LYS 29 Ca 0.00 -2.50 -0.12 0.00 -2.87 0.00 0.00 58.31 52.83 1r4y n LYS 29 Cb 0.45 -0.70 -0.12 0.00 -1.84 0.00 0.00 35.03 32.82 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 -1.28 0.37 0.00 -0.18 -4.23 -1.26 -5.01 115.64 104.05 1r4y s THR 30 Ca 0.25 -0.93 -0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1r4y s THR 30 Cb 0.41 -0.45 -0.00 0.00 1.34 0.00 0.00 72.50 73.80 1r4y s THR 30 CO -0.03 -0.38 1.00 1.23 -0.54 0.00 0.00 174.62 175.90 1r4y h GLY 31 N 4.70 -2.59 0.67 3.99 0.00 -1.28 -2.16 103.07 106.39 1r4y h GLY 31 Ca -0.34 1.11 0.01 0.00 0.00 0.00 0.00 47.33 48.12 1r4y h GLY 31 CO 0.42 -0.99 -0.19 0.23 0.00 0.00 0.00 176.54 176.00 1r4y h SER 32 N -0.00 -0.54 0.00 0.19 0.87 -0.71 -3.32 113.55 110.04 1r4y h SER 32 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1r4y h SER 32 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1r4y h SER 32 CO -0.01 -0.28 0.00 -1.20 -0.53 0.00 0.00 176.83 174.82 1r4y n SER 33 N -5.32 0.00 -4.81 6.23 7.64 -0.81 -4.98 113.62 111.56 1r4y n SER 33 Ca -0.07 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.45 1r4y n SER 33 Cb 0.24 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 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 3.67 0.88 1.43 2.02 -1.26 -4.19 117.35 119.90 1r4y s TYR 34 Ca 0.00 1.43 -0.13 0.00 -0.37 0.00 0.00 57.07 58.00 1r4y s TYR 34 Cb 0.00 -2.65 0.15 0.00 -0.40 0.00 0.00 41.96 39.06 1r4y s TYR 34 CO 0.00 0.34 1.24 -1.25 -1.57 0.00 0.00 175.55 174.31 1r4y s PRO 35 N -1.92 1.21 0.18 -1.71 0.04 -1.26 -4.69 135.00 126.85 1r4y s PRO 35 Ca 0.43 -0.27 -0.11 0.00 0.04 0.00 0.00 61.00 61.09 1r4y s PRO 35 Cb -0.17 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1r4y s PRO 35 CO 0.21 -2.03 0.36 -3.38 0.04 0.00 0.00 177.00 172.20 1r4y s HIS 36 N -3.71 0.28 0.44 0.56 -3.43 -1.02 -2.81 115.29 105.60 1r4y s HIS 36 Ca 0.69 -0.64 -0.23 0.00 -0.80 0.00 0.00 55.06 54.08 1r4y s HIS 36 Cb -0.07 0.07 -0.08 0.00 -1.43 0.00 0.00 32.58 31.08 1r4y s HIS 36 CO 0.51 -0.80 1.14 -0.46 -2.00 0.00 0.00 174.74 173.13 1r4y s TRP 37 N -3.95 2.97 -0.70 0.38 -0.00 -1.26 -1.64 118.94 114.74 1r4y s TRP 37 Ca 0.16 1.56 -0.00 0.00 -0.00 0.00 0.00 56.10 57.82 1r4y s TRP 37 Cb 0.02 -3.33 0.17 0.00 -0.00 0.00 0.00 33.47 30.33 1r4y s TRP 37 CO 0.01 -1.31 0.52 0.12 -0.00 0.00 0.00 176.95 176.28 1r4y s PHE 38 N -1.55 3.53 0.30 5.86 5.36 0.97 -4.77 117.98 127.67 1r4y s PHE 38 Ca 0.62 -2.99 0.14 0.00 -0.96 0.00 0.00 56.93 53.74 1r4y s PHE 38 Cb -0.27 -3.07 1.02 0.00 -0.34 0.00 0.00 43.02 40.36 1r4y s PHE 38 CO 0.34 -0.74 1.31 0.25 -1.46 0.00 0.00 175.22 174.92 1r4y n THR 39 N 2.83 -0.35 -1.57 0.12 -2.24 -1.26 -4.52 114.28 107.28 1r4y n THR 39 Ca 0.13 1.72 -0.19 0.00 -2.27 0.00 0.00 64.05 63.44 1r4y n THR 39 Cb 0.36 -2.73 -0.08 0.00 -2.10 0.00 0.00 70.33 65.78 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 -4.94 -5.07 0.00 3.42 5.15 -1.26 -0.10 115.26 112.46 1r4y n ASN 40 Ca 0.29 0.47 0.00 0.00 -0.60 0.00 0.00 54.58 54.74 1r4y n ASN 40 Cb 0.98 -4.51 0.00 0.00 -0.53 0.00 0.00 39.78 35.72 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 -0.37 3.07 3.60 8.20 0.00 -1.26 -3.70 105.19 114.74 1r4y n GLY 41 Ca -0.19 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 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 0.85 0.10 1.61 4.01 0.86 -4.51 117.16 120.08 1r4y n TYR 42 Ca 0.00 0.48 -0.19 0.00 -0.16 0.00 0.00 57.90 58.03 1r4y n TYR 42 Cb 0.00 -2.16 -0.15 0.00 -0.31 0.00 0.00 39.34 36.72 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 0.89 0.52 0.00 7.72 3.32 -1.83 -3.44 116.42 123.61 1r4y h ASP 43 Ca -0.47 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 55.95 1r4y h ASP 43 Cb 1.35 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1r4y h ASP 43 CO 0.53 1.51 0.00 0.61 -1.72 0.00 0.00 179.24 180.16 1r4y n GLY 44 N 1.65 -1.41 0.00 2.75 0.00 -1.26 -5.09 105.19 101.83 1r4y n GLY 44 Ca -0.15 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 -2.09 1.61 8.00 -1.26 -1.83 116.55 120.99 1r4y n ASP 45 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 1r4y n ASP 45 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 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 4.71 4.01 3.21 0.44 0.00 -1.10 -4.49 105.19 111.96 1r4y n GLY 46 Ca 0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 1r4y n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4y s LYS 47 N -1.45 0.85 0.16 1.61 1.02 -1.26 -4.84 119.74 115.84 1r4y s LYS 47 Ca 0.42 -1.01 0.08 0.00 0.02 0.00 0.00 55.97 55.47 1r4y s LYS 47 Cb 0.28 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.88 1r4y s LYS 47 CO -0.08 -0.27 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.40 1r4y s LEU 48 N -2.88 2.45 0.71 3.17 1.02 -1.26 -2.96 118.68 118.92 1r4y s LEU 48 Ca 0.07 -0.88 -0.12 0.00 0.02 0.00 0.00 54.13 53.22 1r4y s LEU 48 Cb 0.05 -0.76 0.02 0.00 0.02 0.00 0.00 46.19 45.53 1r4y s LEU 48 CO -0.10 -0.07 1.09 -2.16 0.02 0.00 0.00 176.35 175.13 1r4y s PRO 49 N -2.90 2.62 -0.47 1.29 0.04 -1.26 -4.89 135.00 129.44 1r4y s PRO 49 Ca 0.16 1.19 -0.31 0.00 0.04 0.00 0.00 61.00 62.07 1r4y s PRO 49 Cb -0.05 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 1r4y s PRO 49 CO 0.06 -1.36 2.33 1.17 0.04 0.00 0.00 177.00 179.24 1r4y n LYS 50 N -3.02 1.01 -0.28 4.56 0.00 -1.26 -2.66 118.16 116.51 1r4y n LYS 50 Ca 0.09 0.19 0.00 0.00 0.00 0.00 0.00 58.31 58.59 1r4y n LYS 50 Cb 0.53 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 32.88 1r4y n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1r4y n GLY 51 N 6.31 0.88 3.10 3.14 0.00 -1.26 -5.14 105.19 112.22 1r4y n GLY 51 Ca 0.43 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.18 0.64 -0.26 1.61 6.06 -1.09 -5.13 118.95 118.59 1r4y s ARG 52 Ca 0.00 -0.89 -0.01 0.00 -2.50 0.00 0.00 55.73 52.32 1r4y s ARG 52 Cb 0.00 -0.40 0.13 0.00 0.06 0.00 0.00 34.95 34.74 1r4y s ARG 52 CO 0.00 0.07 0.31 0.99 -2.50 0.00 0.00 175.30 174.16 1r4y s THR 53 N -1.71 -0.45 0.64 4.11 2.01 -1.26 -5.01 115.64 113.97 1r4y s THR 53 Ca -0.05 -0.31 -0.15 0.00 0.31 0.00 0.00 61.69 61.49 1r4y s THR 53 Cb -0.08 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 1r4y s THR 53 CO 0.00 -0.33 1.09 -2.16 -0.69 0.00 0.00 174.62 172.53 1r4y s PRO 54 N 2.41 2.97 0.06 4.92 0.04 -1.24 -4.83 135.00 139.32 1r4y s PRO 54 Ca 0.09 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 1r4y s PRO 54 Cb -0.14 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 1r4y s PRO 54 CO -0.25 -1.10 1.71 0.42 0.04 0.00 0.00 177.00 177.82 1r4y s ILE 55 N -2.36 3.03 0.08 0.56 1.01 -1.26 -4.97 121.20 117.30 1r4y s ILE 55 Ca 0.66 0.40 -0.27 0.00 0.00 0.00 0.00 60.65 61.44 1r4y s ILE 55 Cb -0.19 -3.26 -0.06 0.00 0.01 0.00 0.00 42.46 38.96 1r4y s ILE 55 CO 0.40 -0.01 0.83 -0.75 0.00 0.00 0.00 174.94 175.41 1r4y s LYS 56 N 3.05 4.58 -0.04 2.79 2.36 -1.26 -4.91 119.74 126.30 1r4y s LYS 56 Ca 0.76 1.21 0.02 0.00 -2.55 0.00 0.00 55.97 55.42 1r4y s LYS 56 Cb -0.40 -3.36 -0.04 0.00 -1.05 0.00 0.00 37.83 32.98 1r4y s LYS 56 CO 0.34 0.30 -0.01 1.19 1.55 0.00 0.00 175.35 178.71 1r4y n PHE 57 N 2.65 0.00 0.00 4.03 3.72 -1.26 -4.87 117.46 121.73 1r4y n PHE 57 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1r4y n PHE 57 Cb 0.50 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 2.95 0.38 3.77 1.37 0.00 -1.26 -5.08 105.19 107.32 1r4y n GLY 58 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.00 4.01 0.24 1.61 -0.14 -1.26 -4.98 119.74 118.23 1r4y s LYS 59 Ca 0.00 -0.08 0.20 0.00 -1.36 0.00 0.00 55.97 54.73 1r4y s LYS 59 Cb 0.00 -3.36 0.95 0.00 -1.68 0.00 0.00 37.83 33.74 1r4y s LYS 59 CO 0.00 0.42 1.61 0.45 -0.76 0.00 0.00 175.35 177.07 1r4y n SER 60 N 3.07 0.51 -0.09 2.83 2.88 -1.26 -0.34 113.62 121.23 1r4y n SER 60 Ca -0.16 0.68 -0.20 0.00 -1.33 0.00 0.00 58.87 57.87 1r4y n SER 60 Cb 0.53 -0.77 -0.12 0.00 -0.75 0.00 0.00 64.21 63.10 1r4y n SER 60 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1r4y h ASP 61 N 0.00 0.02 0.74 -3.46 5.19 -1.94 -2.47 116.42 114.50 1r4y h ASP 61 Ca 0.00 -0.67 0.00 0.00 -0.62 0.00 0.00 57.03 55.74 1r4y h ASP 61 Cb 0.17 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.67 1r4y h ASP 61 CO 0.00 1.36 0.00 0.00 -3.12 0.00 0.00 179.24 177.48 1r4y n ASP 63 N -1.49 2.06 -4.41 0.00 2.03 0.54 -4.82 116.55 110.46 1r4y n ASP 63 Ca 0.05 0.16 -0.34 0.00 0.52 0.00 0.00 54.79 55.18 1r4y n ASP 63 Cb 0.25 -0.78 0.09 0.00 -0.72 0.00 0.00 41.12 39.97 1r4y n ASP 63 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1r4y n ARG 64 N -3.56 -0.02 -2.21 -0.67 1.85 -0.93 -4.90 116.66 106.22 1r4y n ARG 64 Ca -0.36 0.04 -0.42 0.00 -1.00 0.00 0.00 57.85 56.11 1r4y n ARG 64 Cb 0.99 -1.79 -0.03 0.00 -1.05 0.00 0.00 32.46 30.58 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 -3.16 4.37 0.98 2.89 0.04 -1.26 -4.99 135.00 133.87 1r4y s PRO 65 Ca 0.60 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.55 1r4y s PRO 65 Cb -0.27 -3.22 0.18 0.00 0.04 0.00 0.00 34.50 31.22 1r4y s PRO 65 CO 0.64 -0.32 1.09 -1.25 0.04 0.00 0.00 177.00 177.20 1r4y s PRO 66 N 0.42 0.61 -0.11 0.56 0.04 -1.26 -4.81 135.00 130.46 1r4y s PRO 66 Ca 0.60 0.62 0.01 0.00 0.04 0.00 0.00 61.00 62.27 1r4y s PRO 66 Cb -0.36 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1r4y s PRO 66 CO 0.35 -2.64 -0.11 0.21 0.04 0.00 0.00 177.00 174.85 1r4y s LYS 67 N -4.93 1.78 0.32 4.56 2.47 -1.16 -2.73 119.74 120.05 1r4y s LYS 67 Ca 0.65 -0.38 0.08 0.00 -1.56 0.00 0.00 55.97 54.75 1r4y s LYS 67 Cb -0.19 -1.66 -0.03 0.00 -1.46 0.00 0.00 37.83 34.49 1r4y s LYS 67 CO 0.58 -0.16 0.24 -1.58 0.16 0.00 0.00 175.35 174.59 1r4y s HIS 68 N 1.31 2.89 0.33 4.03 5.65 -0.76 -3.45 115.29 125.29 1r4y s HIS 68 Ca -0.02 -0.29 -0.11 0.00 0.25 0.00 0.00 55.06 54.89 1r4y s HIS 68 Cb -0.14 -1.69 0.02 0.00 -1.18 0.00 0.00 32.58 29.59 1r4y s HIS 68 CO -0.05 0.27 0.60 0.45 -0.65 0.00 0.00 174.74 175.37 1r4y s SER 69 N -3.94 0.25 -0.17 9.88 0.15 -1.24 -4.81 113.70 113.82 1r4y s SER 69 Ca 0.39 -1.14 -0.05 0.00 0.70 0.00 0.00 55.95 55.85 1r4y s SER 69 Cb -0.05 0.71 -0.11 0.00 -1.71 0.00 0.00 66.02 64.86 1r4y s SER 69 CO 0.25 -1.39 3.13 0.29 1.20 0.00 0.00 173.24 176.72 1r4y n LYS 70 N -0.50 2.05 -0.57 5.44 4.01 -1.26 -3.78 118.16 123.56 1r4y n LYS 70 Ca -0.03 -1.42 -0.01 0.00 -0.51 0.00 0.00 58.31 56.33 1r4y n LYS 70 Cb 0.61 -1.95 -0.01 0.00 -0.51 0.00 0.00 35.03 33.16 1r4y n LYS 70 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1r4y n ASP 71 N 1.75 -0.20 0.00 4.39 -0.08 -1.26 -5.03 116.55 116.12 1r4y n ASP 71 Ca 0.41 -1.11 0.00 0.00 -1.51 0.00 0.00 54.79 52.58 1r4y n ASP 71 Cb 0.74 0.06 0.00 0.00 2.34 0.00 0.00 41.12 44.26 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r4y n GLY 72 N 0.00 1.19 0.00 0.27 0.00 -1.25 -4.22 105.19 101.18 1r4y n GLY 72 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 2.78 0.00 0.00 1.61 5.15 -1.26 -4.40 115.26 119.15 1r4y n ASN 73 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1r4y n ASN 73 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 4.32 0.57 0.00 8.20 0.00 -1.26 -3.68 105.19 113.34 1r4y n GLY 74 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.04 1.61 5.02 -1.26 -4.43 118.16 119.06 1r4y n LYS 75 Ca 0.00 0.14 0.01 0.00 -2.02 0.00 0.00 58.31 56.44 1r4y n LYS 75 Cb 0.00 -0.79 0.04 0.00 -0.02 0.00 0.00 35.03 34.26 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 -0.42 0.95 -0.46 -0.18 5.66 -1.26 -5.05 114.28 113.52 1r4y n THR 76 Ca 0.00 -0.98 -0.11 0.00 -3.05 0.00 0.00 64.05 59.91 1r4y n THR 76 Cb 0.00 0.53 -0.05 0.00 -1.55 0.00 0.00 70.33 69.25 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 -0.22 -0.02 -3.83 1.09 9.92 -1.26 -4.60 116.55 117.63 1r4y n ASP 77 Ca 0.03 0.01 -0.42 0.00 -0.53 0.00 0.00 54.79 53.88 1r4y n ASP 77 Cb 0.29 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 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 2.94 2.91 -3.43 1.24 1.44 -1.23 -4.69 115.22 114.40 1r4y n HIS 78 Ca 0.21 -2.79 -0.38 0.00 -2.01 0.00 0.00 57.72 52.75 1r4y n HIS 78 Cb 0.02 -1.96 -0.06 0.00 0.12 0.00 0.00 29.99 28.11 1r4y n HIS 78 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1r4y s TYR 79 N 0.38 3.63 0.03 -1.40 1.13 -1.22 -3.01 117.35 116.88 1r4y s TYR 79 Ca 0.41 0.94 -0.30 0.00 -1.41 0.00 0.00 57.07 56.70 1r4y s TYR 79 Cb 0.10 -2.40 -0.05 0.00 -1.10 0.00 0.00 41.96 38.51 1r4y s TYR 79 CO -0.00 0.44 1.25 -0.51 -2.51 0.00 0.00 175.55 174.21 1r4y s LEU 80 N -0.34 4.34 0.05 -3.49 1.43 -1.26 -2.62 118.68 116.79 1r4y s LEU 80 Ca 0.24 2.01 0.07 0.00 -1.03 0.00 0.00 54.13 55.42 1r4y s LEU 80 Cb -0.16 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1r4y s LEU 80 CO 0.12 -0.56 -0.16 -0.22 0.23 0.00 0.00 176.35 175.76 1r4y s LEU 81 N 1.59 2.75 0.28 1.79 0.20 -0.38 -0.02 118.68 124.88 1r4y s LEU 81 Ca 0.59 -0.40 0.07 0.00 0.69 0.00 0.00 54.13 55.09 1r4y s LEU 81 Cb -0.29 -1.60 -0.03 0.00 -0.43 0.00 0.00 46.19 43.84 1r4y s LEU 81 CO 0.27 0.24 0.21 -1.83 -0.29 0.00 0.00 176.35 174.95 1r4y s GLU 82 N -1.60 2.79 -0.18 1.98 1.03 -0.65 -1.99 118.70 120.07 1r4y s GLU 82 Ca 0.16 -1.18 -0.18 0.00 0.03 0.00 0.00 54.97 53.81 1r4y s GLU 82 Cb -0.11 -2.48 0.05 0.00 -0.80 0.00 0.00 34.13 30.79 1r4y s GLU 82 CO 0.07 0.29 0.50 0.12 -1.33 0.00 0.00 175.26 174.92 1r4y s PHE 83 N -2.21 -0.55 -0.75 4.83 2.19 -0.90 -2.43 117.98 118.16 1r4y s PHE 83 Ca 0.35 1.33 -0.26 0.00 0.33 0.00 0.00 56.93 58.69 1r4y s PHE 83 Cb -0.07 0.19 -0.02 0.00 -1.31 0.00 0.00 43.02 41.81 1r4y s PHE 83 CO 0.25 -0.27 1.83 -1.25 1.83 0.00 0.00 175.22 177.61 1r4y s PRO 84 N 0.23 2.69 -0.47 10.12 0.04 -1.26 -1.04 135.00 145.31 1r4y s PRO 84 Ca -0.00 0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.02 1r4y s PRO 84 Cb -0.03 -4.68 0.08 0.00 0.04 0.00 0.00 34.50 29.91 1r4y s PRO 84 CO 0.01 -2.91 0.38 -0.08 0.04 0.00 0.00 177.00 174.43 1r4y s THR 85 N 9.03 5.00 0.63 1.26 -1.32 -1.25 -4.92 115.64 124.06 1r4y s THR 85 Ca 0.65 -1.19 -0.11 0.00 -1.21 0.00 0.00 61.69 59.83 1r4y s THR 85 Cb -0.09 -4.03 -0.03 0.00 -1.51 0.00 0.00 72.50 66.84 1r4y s THR 85 CO 0.11 -0.60 1.02 -0.36 -2.21 0.00 0.00 174.62 172.58 1r4y s PHE 86 N 1.59 3.57 0.13 9.09 0.40 -1.26 -4.83 117.98 126.66 1r4y s PHE 86 Ca 0.04 1.20 -0.03 0.00 -0.60 0.00 0.00 56.93 57.54 1r4y s PHE 86 Cb -0.25 -2.75 -0.10 0.00 0.51 0.00 0.00 43.02 40.43 1r4y s PHE 86 CO 0.05 -0.75 1.30 -1.00 0.70 0.00 0.00 175.22 175.52 1r4y h PRO 87 N -0.34 0.35 -1.59 0.24 0.13 -1.97 -3.18 132.00 125.64 1r4y h PRO 87 Ca -0.44 -0.40 0.47 0.00 -0.87 0.00 0.00 66.00 64.76 1r4y h PRO 87 Cb 1.20 0.12 -0.08 0.00 0.13 0.00 0.00 31.00 32.37 1r4y h PRO 87 CO 0.62 1.09 1.12 -0.44 -0.23 0.00 0.00 178.00 180.15 1r4y h ASP 88 N 0.19 0.07 0.00 1.44 3.32 -1.94 -3.45 116.42 116.05 1r4y h ASP 88 Ca -0.08 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1r4y h ASP 88 Cb 1.61 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.19 1r4y h ASP 88 CO 0.16 -0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 1r4y n GLY 89 N -1.78 0.45 3.88 2.75 0.00 -1.20 -5.04 105.19 104.26 1r4y n GLY 89 Ca 0.37 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.00 3.57 -0.79 1.61 -3.43 -1.26 -5.03 115.29 107.96 1r4y s HIS 90 Ca 0.00 1.14 -0.16 0.00 -0.80 0.00 0.00 55.06 55.25 1r4y s HIS 90 Cb 0.00 -2.68 0.18 0.00 -1.43 0.00 0.00 32.58 28.64 1r4y s HIS 90 CO 0.00 -0.68 0.81 0.34 -2.00 0.00 0.00 174.74 173.21 1r4y s ASP 91 N -4.19 6.61 1.00 7.38 2.15 -1.26 -4.76 116.67 123.59 1r4y s ASP 91 Ca 0.54 -2.31 -0.16 0.00 0.43 0.00 0.00 52.55 51.05 1r4y s ASP 91 Cb -0.11 -2.26 -0.03 0.00 -0.30 0.00 0.00 42.92 40.22 1r4y s ASP 91 CO 0.52 -0.77 -0.20 0.00 -0.17 0.00 0.00 175.17 174.54 1r4y n TYR 92 N 4.94 -2.54 -1.75 -5.34 9.36 -1.26 -4.85 117.16 115.73 1r4y n TYR 92 Ca 0.10 0.18 -0.38 0.00 3.32 0.00 0.00 57.90 61.12 1r4y n TYR 92 Cb 0.46 -1.61 -0.02 0.00 -0.63 0.00 0.00 39.34 37.55 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 -0.14 4.15 0.16 2.98 2.85 -1.26 -4.49 118.16 122.41 1r4y n LYS 93 Ca 0.02 -2.98 0.13 0.00 -1.05 0.00 0.00 58.31 54.44 1r4y n LYS 93 Cb 0.58 -2.63 0.44 0.00 -0.65 0.00 0.00 35.03 32.77 1r4y n LYS 93 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1r4y h PHE 94 N 4.56 0.00 0.00 5.58 -5.15 -1.88 -3.20 116.94 116.85 1r4y h PHE 94 Ca 0.72 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 58.39 1r4y h PHE 94 Cb 0.36 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.51 1r4y h PHE 94 CO 1.68 0.00 -1.47 -3.47 -2.00 0.00 0.00 178.31 173.06 1r4y n ASP 95 N -2.53 0.64 -4.55 -0.68 -0.08 -1.26 -0.46 116.55 107.63 1r4y n ASP 95 Ca 0.03 0.26 -0.43 0.00 -1.51 0.00 0.00 54.79 53.15 1r4y n ASP 95 Cb 0.36 0.64 -0.05 0.00 2.34 0.00 0.00 41.12 44.41 1r4y n ASP 95 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1r4y s SER 96 N -5.40 6.43 0.15 1.67 0.01 -1.21 -2.92 113.70 112.43 1r4y s SER 96 Ca -0.04 -0.07 -0.17 0.00 1.31 0.00 0.00 55.95 56.99 1r4y s SER 96 Cb 0.10 -2.40 0.01 0.00 0.21 0.00 0.00 66.02 63.94 1r4y s SER 96 CO 0.82 -0.97 1.80 0.07 0.41 0.00 0.00 173.24 175.38 1r4y h LYS 97 N 9.02 0.45 -3.35 12.44 2.10 -1.85 -3.14 116.57 132.24 1r4y h LYS 97 Ca -0.25 -0.03 -0.29 0.00 -2.00 0.00 0.00 60.65 58.08 1r4y h LYS 97 Cb 1.08 -0.10 -0.34 0.00 -0.90 0.00 0.00 32.23 31.97 1r4y h LYS 97 CO 0.98 0.30 -0.68 0.15 -2.00 0.00 0.00 179.45 178.20 1r4y s LYS 98 N -6.16 0.00 1.07 0.07 1.02 -1.26 -3.90 119.74 110.59 1r4y s LYS 98 Ca -0.13 0.32 -0.15 0.00 0.02 0.00 0.00 55.97 56.03 1r4y s LYS 98 Cb 0.11 -0.27 0.22 0.00 -0.52 0.00 0.00 37.83 37.37 1r4y s LYS 98 CO 0.72 -0.21 1.11 -1.25 -0.92 0.00 0.00 175.35 174.80 1r4y s PRO 99 N 1.43 -0.17 0.07 -1.68 0.04 -1.26 -5.16 135.00 128.27 1r4y s PRO 99 Ca -0.05 0.24 0.05 0.00 0.04 0.00 0.00 61.00 61.28 1r4y s PRO 99 Cb -0.12 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1r4y s PRO 99 CO -0.04 -3.08 -0.14 -1.59 0.04 0.00 0.00 177.00 172.19 1r4y s LYS 100 N -5.18 0.84 0.54 4.56 0.00 -1.25 -4.77 119.74 114.48 1r4y s LYS 100 Ca 0.68 -0.94 0.09 0.00 0.00 0.00 0.00 55.97 55.79 1r4y s LYS 100 Cb -0.15 -0.85 0.07 0.00 0.00 0.00 0.00 37.83 36.90 1r4y s LYS 100 CO 0.57 0.19 0.71 -2.00 0.00 0.00 0.00 175.35 174.82 1r4y s GLU 101 N -1.69 2.41 -0.11 1.78 2.12 -1.26 -5.09 118.70 116.86 1r4y s GLU 101 Ca -0.01 -1.59 -0.27 0.00 0.36 0.00 0.00 54.97 53.46 1r4y s GLU 101 Cb -0.10 -2.62 -0.02 0.00 0.26 0.00 0.00 34.13 31.65 1r4y s GLU 101 CO 0.02 -0.71 0.87 -0.80 -0.54 0.00 0.00 175.26 174.10 1r4y s ASN 102 N -4.56 7.09 0.63 -1.70 -0.87 -1.26 -5.07 114.94 109.20 1r4y s ASN 102 Ca 0.58 1.34 0.00 0.00 -1.57 0.00 0.00 52.86 53.21 1r4y s ASN 102 Cb -0.06 -2.49 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 1r4y s ASN 102 CO 0.36 -0.33 0.00 -0.81 -2.57 0.00 0.00 177.10 173.75 1r4y n PRO 103 N 4.68 -0.42 -4.24 -0.60 -0.04 -1.26 -5.10 135.00 128.02 1r4y n PRO 103 Ca 0.05 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.36 1r4y n PRO 103 Cb 0.50 0.00 -0.09 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 -1.87 1.76 -0.07 0.55 0.00 -1.26 -5.09 107.32 101.35 1r4y s GLY 104 Ca 0.00 -1.82 -0.13 0.00 0.00 0.00 0.00 44.72 42.77 1r4y s GLY 104 CO 0.00 -1.45 0.52 -0.56 0.00 0.00 0.00 173.10 171.61 1r4y h PRO 105 N 2.44 -0.26 -6.75 2.90 0.13 -1.99 -3.45 132.00 125.02 1r4y h PRO 105 Ca -0.33 0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.29 1r4y h PRO 105 Cb 1.24 0.06 0.07 0.00 0.13 0.00 0.00 31.00 32.51 1r4y h PRO 105 CO 0.48 -0.02 0.92 0.00 -0.23 0.00 0.00 178.00 179.16 1r4y s ALA 106 N -3.36 3.80 -0.01 -0.56 0.00 -1.25 -4.59 121.76 115.79 1r4y s ALA 106 Ca -0.08 1.55 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 1r4y s ALA 106 Cb 0.00 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.48 1r4y s ALA 106 CO 0.26 -0.94 0.23 1.03 0.00 0.00 0.00 175.76 176.34 1r4y s ARG 107 N 0.07 0.57 -0.26 0.00 0.52 -1.19 -3.87 118.95 114.78 1r4y s ARG 107 Ca 0.67 -0.26 -0.27 0.00 -0.52 0.00 0.00 55.73 55.35 1r4y s ARG 107 Cb -0.48 0.25 0.01 0.00 0.52 0.00 0.00 34.95 35.25 1r4y s ARG 107 CO 0.42 -0.15 0.97 0.54 0.02 0.00 0.00 175.30 177.11 1r4y s VAL 108 N -1.28 4.69 -0.27 3.52 0.11 -0.21 -2.74 120.40 124.23 1r4y s VAL 108 Ca -0.13 1.77 -0.07 0.00 -2.93 0.00 0.00 61.98 60.62 1r4y s VAL 108 Cb -0.06 -4.27 -0.01 0.00 -1.53 0.00 0.00 36.38 30.51 1r4y s VAL 108 CO 0.03 -0.23 0.06 -0.63 -3.33 0.00 0.00 175.10 171.00 1r4y s ILE 109 N 3.19 4.00 0.07 7.04 1.09 -0.20 -2.11 121.20 134.29 1r4y s ILE 109 Ca 0.41 -0.47 0.03 0.00 -1.10 0.00 0.00 60.65 59.52 1r4y s ILE 109 Cb -0.14 -2.96 -0.03 0.00 -1.06 0.00 0.00 42.46 38.27 1r4y s ILE 109 CO 0.09 0.23 -0.09 -0.72 -0.10 0.00 0.00 174.94 174.34 1r4y s TYR 110 N 1.54 0.92 0.59 3.97 -0.85 -0.84 -0.63 117.35 122.04 1r4y s TYR 110 Ca 0.04 -0.60 -0.08 0.00 -0.52 0.00 0.00 57.07 55.92 1r4y s TYR 110 Cb -0.16 -0.52 -0.01 0.00 0.38 0.00 0.00 41.96 41.65 1r4y s TYR 110 CO 0.02 -0.04 0.93 0.95 -1.52 0.00 0.00 175.55 175.89 1r4y s THR 111 N -2.04 4.12 0.18 -3.49 -4.23 -1.22 -1.25 115.64 107.70 1r4y s THR 111 Ca -0.00 0.29 0.07 0.00 -1.18 0.00 0.00 61.69 60.87 1r4y s THR 111 Cb -0.05 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.11 1r4y s THR 111 CO -0.00 -0.71 0.02 -0.47 -0.54 0.00 0.00 174.62 172.92 1r4y s TYR 112 N -3.03 2.89 -0.05 3.99 6.14 -1.08 -3.34 117.35 122.87 1r4y s TYR 112 Ca 0.53 -0.12 -0.26 0.00 0.64 0.00 0.00 57.07 57.87 1r4y s TYR 112 Cb -0.11 -1.39 -0.22 0.00 0.42 0.00 0.00 41.96 40.66 1r4y s TYR 112 CO 0.48 0.52 1.08 -1.00 0.64 0.00 0.00 175.55 177.27 1r4y h PRO 113 N 2.62 0.09 -5.81 4.97 0.13 -1.84 -3.38 132.00 128.79 1r4y h PRO 113 Ca -0.47 -0.08 -0.67 0.00 -0.87 0.00 0.00 66.00 63.91 1r4y h PRO 113 Cb 1.20 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1r4y h PRO 113 CO 0.59 0.78 1.45 -1.71 -0.23 0.00 0.00 178.00 178.88 1r4y n ASN 114 N -4.65 1.34 -3.52 1.44 2.85 -1.26 -4.76 115.26 106.71 1r4y n ASN 114 Ca -0.09 0.41 -0.39 0.00 -0.11 0.00 0.00 54.58 54.40 1r4y n ASN 114 Cb 0.40 -1.10 -0.06 0.00 1.24 0.00 0.00 39.78 40.26 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 8.04 1.17 -2.14 1.20 5.02 -1.21 -4.28 118.16 125.97 1r4y n LYS 115 Ca 0.50 -1.56 -0.34 0.00 -2.02 0.00 0.00 58.31 54.89 1r4y n LYS 115 Cb 0.12 -2.73 -0.04 0.00 -0.02 0.00 0.00 35.03 32.36 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 5.98 2.57 -1.51 -0.18 0.31 -1.25 -4.84 118.33 119.41 1r4y n VAL 116 Ca 0.46 -2.63 -0.60 0.00 -0.01 0.00 0.00 64.34 61.56 1r4y n VAL 116 Cb 0.36 -2.25 -0.09 0.00 -0.91 0.00 0.00 33.84 30.95 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 11.81 1.51 -0.10 3.52 -0.00 -1.26 -3.41 117.46 129.53 1r4y n PHE 117 Ca 0.47 0.99 -0.23 0.00 -0.00 0.00 0.00 57.45 58.67 1r4y n PHE 117 Cb 0.46 -1.99 -0.12 0.00 -0.00 0.00 0.00 39.48 37.83 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 1.71 -0.68 3.32 0.00 0.00 -1.19 -4.91 105.19 103.44 1r4y n GLY 119 Ca -0.42 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.87 2.56 0.17 -0.61 1.09 -1.26 -1.03 121.20 119.24 1r4y s ILE 120 Ca 0.00 -0.86 0.06 0.00 -1.10 0.00 0.00 60.65 58.75 1r4y s ILE 120 Cb 0.00 -2.01 -0.04 0.00 -1.06 0.00 0.00 42.46 39.35 1r4y s ILE 120 CO 0.00 0.55 0.06 0.27 -0.10 0.00 0.00 174.94 175.72 1r4y s ILE 121 N 0.07 4.08 -0.12 2.92 -4.36 -1.11 0.67 121.20 123.36 1r4y s ILE 121 Ca -0.08 -1.25 -0.31 0.00 -0.26 0.00 0.00 60.65 58.74 1r4y s ILE 121 Cb -0.15 -3.06 0.12 0.00 1.25 0.00 0.00 42.46 40.62 1r4y s ILE 121 CO 0.05 -0.10 1.04 0.00 0.24 0.00 0.00 174.94 176.17 1r4y s ALA 122 N -1.73 -1.94 -0.92 2.27 0.00 -0.23 -3.20 121.76 116.01 1r4y s ALA 122 Ca 0.29 1.38 -0.18 0.00 0.00 0.00 0.00 51.96 53.45 1r4y s ALA 122 Cb -0.10 -0.12 0.14 0.00 0.00 0.00 0.00 23.12 23.04 1r4y s ALA 122 CO 0.21 -0.54 1.10 -1.01 0.00 0.00 0.00 175.76 175.51 1r4y s HIS 123 N -2.31 3.18 -0.52 0.00 3.76 -1.26 -2.82 115.29 115.32 1r4y s HIS 123 Ca 0.05 -1.45 -0.02 0.00 -0.15 0.00 0.00 55.06 53.49 1r4y s HIS 123 Cb -0.01 -4.24 0.35 0.00 1.11 0.00 0.00 32.58 29.79 1r4y s HIS 123 CO -0.05 -1.44 2.04 -2.37 -0.85 0.00 0.00 174.74 172.06 1r4y n THR 124 N 5.35 3.28 -0.07 1.30 5.66 -1.26 -4.21 114.28 124.33 1r4y n THR 124 Ca 0.23 -2.42 -0.06 0.00 -3.05 0.00 0.00 64.05 58.76 1r4y n THR 124 Cb 0.49 -1.24 -0.14 0.00 -1.55 0.00 0.00 70.33 67.89 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 -0.38 1.10 0.05 1.09 3.00 -1.26 -5.01 118.16 116.75 1r4y n LYS 125 Ca 0.49 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 1r4y n LYS 125 Cb 0.62 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 34.21 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 -2.56 0.00 0.00 1.64 0.00 -1.26 -5.02 120.64 113.44 1r4y n GLU 126 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.92 1r4y n GLU 126 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.41 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 -2.47 0.00 -2.84 4.31 5.15 -1.26 -5.04 115.26 113.11 1r4y n ASN 127 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 1r4y n ASN 127 Cb 0.00 0.19 0.01 0.00 -0.53 0.00 0.00 39.78 39.45 1r4y n ASN 127 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r4y n GLN 128 N -2.10 0.61 0.00 1.20 6.02 -1.26 -4.81 117.38 117.04 1r4y n GLN 128 Ca 0.00 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 54.89 1r4y n GLN 128 Cb 0.00 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1r4y n GLN 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r4y n GLY 129 N 2.34 2.06 3.81 1.08 0.00 -1.26 -5.11 105.19 108.10 1r4y n GLY 129 Ca 0.16 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1r4y n GLY 129 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r4y s GLU 130 N 1.73 3.83 0.03 1.61 8.01 -1.26 -4.98 118.70 127.67 1r4y s GLU 130 Ca 0.00 1.23 0.04 0.00 0.01 0.00 0.00 54.97 56.25 1r4y s GLU 130 Cb 0.00 -2.11 -0.04 0.00 -4.31 0.00 0.00 34.13 27.68 1r4y s GLU 130 CO 0.00 -0.39 -0.06 -1.17 0.01 0.00 0.00 175.26 173.65 1r4y s LEU 131 N -3.67 3.20 0.26 1.80 0.20 -1.26 -4.09 118.68 115.12 1r4y s LEU 131 Ca 0.64 -0.19 -0.15 0.00 0.69 0.00 0.00 54.13 55.12 1r4y s LEU 131 Cb -0.14 -1.88 0.00 0.00 -0.43 0.00 0.00 46.19 43.74 1r4y s LEU 131 CO 0.23 0.25 0.55 -1.59 -0.29 0.00 0.00 176.35 175.49 1r4y s LYS 132 N -1.69 1.62 0.33 1.98 -2.85 -1.13 -4.99 119.74 113.02 1r4y s LYS 132 Ca 0.19 -1.18 -0.23 0.00 -1.00 0.00 0.00 55.97 53.75 1r4y s LYS 132 Cb -0.11 0.51 -0.10 0.00 -2.06 0.00 0.00 37.83 36.07 1r4y s LYS 132 CO 0.10 -0.70 0.90 -1.17 0.10 0.00 0.00 175.35 174.58 1r4y s LEU 133 N -2.99 4.22 1.32 2.77 2.96 -1.26 -1.06 118.68 124.64 1r4y s LEU 133 Ca 0.19 1.69 -0.19 0.00 -0.22 0.00 0.00 54.13 55.61 1r4y s LEU 133 Cb -0.02 -4.08 0.34 0.00 0.50 0.00 0.00 46.19 42.92 1r4y s LEU 133 CO 0.09 -0.13 0.97 0.00 -1.32 0.00 0.00 176.35 175.95 1r4y s SER 135 N -2.89 -1.44 0.00 0.00 0.01 -1.01 -4.89 113.70 103.48 1r4y s SER 135 Ca 0.69 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1r4y s SER 135 Cb -0.18 1.85 0.00 0.00 0.21 0.00 0.00 66.02 67.89 1r4y s SER 135 CO 0.61 -0.17 0.11 0.00 0.41 0.00 0.00 173.24 174.20