#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4y s VAL 2 N 0.00 4.97 -0.46 0.00 0.11 -1.26 -4.80 120.40 118.95 1r4y s VAL 2 Ca 0.00 0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 58.89 1r4y s VAL 2 Cb 0.00 -3.84 0.04 0.00 -1.53 0.00 0.00 36.38 31.05 1r4y s VAL 2 CO 0.00 -0.69 0.56 -0.89 -3.33 0.00 0.00 175.10 170.75 1r4y s THR 3 N -2.53 4.95 0.28 5.04 2.01 -1.26 -0.97 115.64 123.16 1r4y s THR 3 Ca 0.45 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 1r4y s THR 3 Cb -0.10 -4.19 -0.09 0.00 0.01 0.00 0.00 72.50 68.12 1r4y s THR 3 CO 0.40 -0.64 0.98 0.26 -0.69 0.00 0.00 174.62 174.93 1r4y s TRP 4 N 2.47 3.79 -0.02 4.92 0.52 -0.00 -4.58 118.94 126.04 1r4y s TRP 4 Ca 0.15 1.83 0.03 0.00 0.02 0.00 0.00 56.10 58.13 1r4y s TRP 4 Cb -0.18 -3.04 -0.00 0.00 -1.15 0.00 0.00 33.47 29.10 1r4y s TRP 4 CO 0.14 0.13 -0.09 0.99 0.02 0.00 0.00 176.95 178.14 1r4y s THR 5 N -1.31 0.75 -0.59 2.01 2.01 -1.25 0.44 115.64 117.70 1r4y s THR 5 Ca 0.45 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 62.13 1r4y s THR 5 Cb -0.25 -0.65 0.30 0.00 0.01 0.00 0.00 72.50 71.91 1r4y s THR 5 CO 0.32 0.22 0.84 0.00 -0.69 0.00 0.00 174.62 175.31 1r4y n GLY 7 N 0.29 -0.49 0.00 0.00 0.00 -1.26 -4.46 105.19 99.27 1r4y n GLY 7 Ca 0.30 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.10 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 -0.83 -0.90 3.34 -0.02 0.00 -1.26 -4.93 105.19 100.59 1r4y n GLY 8 Ca -0.18 0.37 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 2.55 0.61 0.99 1.43 -1.26 -5.16 118.68 117.84 1r4y s LEU 9 Ca 0.00 -1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 52.04 1r4y s LEU 9 Cb 0.00 -0.67 0.03 0.00 0.03 0.00 0.00 46.19 45.58 1r4y s LEU 9 CO 0.00 -0.17 0.89 -0.76 0.23 0.00 0.00 176.35 176.54 1r4y s LEU 10 N -3.30 3.14 -0.43 1.79 1.02 -1.26 -3.21 118.68 116.43 1r4y s LEU 10 Ca 0.22 0.45 0.06 0.00 0.02 0.00 0.00 54.13 54.88 1r4y s LEU 10 Cb -0.01 -3.23 0.18 0.00 0.02 0.00 0.00 46.19 43.15 1r4y s LEU 10 CO 0.07 -1.23 0.58 -0.31 0.02 0.00 0.00 176.35 175.48 1r4y s TYR 11 N -2.99 -1.21 -0.13 0.29 2.02 0.17 -4.30 117.35 111.19 1r4y s TYR 11 Ca 0.56 -0.33 -0.36 0.00 -0.37 0.00 0.00 57.07 56.57 1r4y s TYR 11 Cb -0.11 0.08 -0.13 0.00 -0.40 0.00 0.00 41.96 41.41 1r4y s TYR 11 CO 0.43 -1.13 1.85 -1.71 -1.57 0.00 0.00 175.55 173.42 1r4y n ASN 12 N 3.94 3.21 -0.28 2.29 5.15 -1.26 -0.82 115.26 127.49 1r4y n ASN 12 Ca 0.14 1.00 0.09 0.00 -0.60 0.00 0.00 54.58 55.21 1r4y n ASN 12 Cb 0.53 -1.32 0.25 0.00 -0.53 0.00 0.00 39.78 38.71 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 8.76 0.38 -0.90 1.20 4.15 -1.36 0.29 115.11 127.63 1r4y h GLN 13 Ca -0.48 -0.02 0.21 0.00 0.77 0.00 0.00 58.65 59.12 1r4y h GLN 13 Cb 1.28 -0.09 -0.12 0.00 0.21 0.00 0.00 27.48 28.77 1r4y h GLN 13 CO 0.95 0.25 0.42 -0.97 -1.93 0.00 0.00 178.83 177.56 1r4y h ASN 14 N 0.40 0.41 -0.12 -0.69 -0.73 -1.88 0.40 115.58 113.35 1r4y h ASN 14 Ca 0.49 0.14 -0.12 0.00 1.87 0.00 0.00 56.30 58.68 1r4y h ASN 14 Cb 0.85 0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.55 1r4y h ASN 14 CO -0.49 0.05 -0.38 0.11 -0.37 0.00 0.00 177.43 176.35 1r4y h LYS 15 N 0.46 0.48 -0.97 6.67 1.57 -0.91 0.44 116.57 124.31 1r4y h LYS 15 Ca 0.55 -0.35 0.18 0.00 -1.87 0.00 0.00 60.65 59.16 1r4y h LYS 15 Cb 1.00 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.27 1r4y h LYS 15 CO -0.49 0.97 0.61 0.00 -0.57 0.00 0.00 179.45 179.97 1r4y h ALA 16 N 0.51 1.80 0.02 3.86 0.00 0.15 0.53 119.26 126.13 1r4y h ALA 16 Ca -0.01 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1r4y h ALA 16 Cb 1.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1r4y h ALA 16 CO 0.08 -0.12 -0.89 1.05 0.00 0.00 0.00 179.25 179.37 1r4y h GLU 17 N 0.70 0.04 0.42 0.00 4.11 -0.41 -3.28 114.58 116.17 1r4y h GLU 17 Ca 0.53 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.87 1r4y h GLU 17 Cb 0.90 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1r4y h GLU 17 CO -0.30 1.03 -0.20 1.03 0.07 0.00 0.00 179.01 180.64 1r4y h SER 18 N -0.88 -0.48 -1.27 3.06 0.87 0.30 0.66 113.55 115.81 1r4y h SER 18 Ca -0.23 -0.08 0.42 0.00 -1.23 0.00 0.00 61.79 60.67 1r4y h SER 18 Cb 1.29 0.12 -0.13 0.00 -0.44 0.00 0.00 62.40 63.24 1r4y h SER 18 CO -0.10 -0.06 0.80 -1.13 -0.53 0.00 0.00 176.83 175.82 1r4y h ASN 19 N -1.04 0.27 0.85 6.23 -1.24 -0.10 0.20 115.58 120.74 1r4y h ASN 19 Ca -0.06 0.15 -0.23 0.00 0.71 0.00 0.00 56.30 56.87 1r4y h ASN 19 Cb 0.54 0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.69 1r4y h ASN 19 CO 0.10 -0.20 -1.22 0.77 -1.29 0.00 0.00 177.43 175.59 1r4y h SER 20 N 0.10 0.00 -0.99 1.15 4.64 -1.44 -3.35 113.55 113.66 1r4y h SER 20 Ca 0.81 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 62.37 1r4y h SER 20 Cb 2.47 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 64.48 1r4y h SER 20 CO -0.46 0.97 0.65 0.45 -0.87 0.00 0.00 176.83 177.57 1r4y h HIS 21 N 0.00 0.60 -0.01 4.77 3.86 0.35 0.12 115.15 124.84 1r4y h HIS 21 Ca -0.10 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1r4y h HIS 21 Cb 1.83 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 30.12 1r4y h HIS 21 CO 0.00 0.10 -0.03 0.45 0.86 0.00 0.00 177.93 179.32 1r4y h HIS 22 N 0.40 0.05 -0.97 2.45 3.86 -1.67 -3.46 115.15 115.82 1r4y h HIS 22 Ca 0.54 -0.02 -0.83 0.00 -1.16 0.00 0.00 60.37 58.91 1r4y h HIS 22 Cb 1.37 -0.01 0.02 0.00 1.06 0.00 0.00 27.41 29.86 1r4y h HIS 22 CO -0.00 0.61 0.48 0.00 0.86 0.00 0.00 177.93 179.87 1r4y n ALA 23 N -2.40 -2.03 -2.23 2.45 0.00 0.03 -4.84 120.51 111.49 1r4y n ALA 23 Ca -0.09 0.52 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1r4y n ALA 23 Cb 0.31 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 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 1.99 4.30 -0.69 0.00 0.04 -1.26 -4.90 135.00 134.48 1r4y s PRO 24 Ca 0.98 1.96 -0.26 0.00 0.04 0.00 0.00 61.00 63.72 1r4y s PRO 24 Cb -1.38 -3.50 -0.09 0.00 0.04 0.00 0.00 34.50 29.57 1r4y s PRO 24 CO 0.72 -0.52 2.27 -1.17 0.04 0.00 0.00 177.00 178.33 1r4y s LEU 25 N 2.07 3.14 0.00 -3.56 2.96 -1.26 -4.64 118.68 117.39 1r4y s LEU 25 Ca 0.63 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 1r4y s LEU 25 Cb -0.32 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 43.84 1r4y s LEU 25 CO 0.27 -3.20 0.00 -1.20 -1.32 0.00 0.00 176.35 170.91 1r4y n SER 26 N 16.32 0.00 -4.61 3.68 7.64 -1.26 -5.00 113.62 130.39 1r4y n SER 26 Ca 0.39 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.87 1r4y n SER 26 Cb 0.49 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.61 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 6.41 -0.80 6.43 2.15 -1.26 -4.35 116.67 125.25 1r4y s ASP 27 Ca 0.00 0.43 -0.01 0.00 0.43 0.00 0.00 52.55 53.40 1r4y s ASP 27 Cb 0.00 -2.28 -0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1r4y s ASP 27 CO 0.00 -0.32 0.65 0.61 -0.17 0.00 0.00 175.17 175.95 1r4y n GLY 28 N 4.47 -1.27 0.75 2.66 0.00 -1.02 -4.55 105.19 106.22 1r4y n GLY 28 Ca -0.04 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.28 0.00 -4.33 1.61 5.02 -1.26 -5.01 118.16 111.92 1r4y n LYS 29 Ca -0.17 -0.99 -0.25 0.00 -2.02 0.00 0.00 58.31 54.88 1r4y n LYS 29 Cb 0.60 -0.21 -0.12 0.00 -0.02 0.00 0.00 35.03 35.28 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1r4y s THR 30 N 0.00 1.91 0.10 -0.18 -4.23 -1.26 -5.05 115.64 106.93 1r4y s THR 30 Ca 0.07 -1.68 -0.19 0.00 -1.18 0.00 0.00 61.69 58.71 1r4y s THR 30 Cb 0.08 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 1r4y s THR 30 CO -0.03 -0.06 1.26 0.61 -0.54 0.00 0.00 174.62 175.86 1r4y n GLY 31 N 0.88 -2.60 0.43 3.99 0.00 0.21 -2.29 105.19 105.81 1r4y n GLY 31 Ca -0.18 0.92 -0.17 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.89 0.00 1.61 0.87 -1.26 -3.35 113.55 110.52 1r4y h SER 32 Ca 0.10 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1r4y h SER 32 Cb 0.25 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1r4y h SER 32 CO -0.57 -0.54 0.00 -1.20 -0.53 0.00 0.00 176.83 173.98 1r4y n SER 33 N -5.49 0.00 -4.76 6.23 7.64 -0.97 -4.99 113.62 111.28 1r4y n SER 33 Ca -0.14 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.36 1r4y n SER 33 Cb 0.42 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1r4y n SER 33 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1r4y s TYR 34 N 0.00 2.58 0.69 1.43 1.51 -1.26 -3.94 117.35 118.36 1r4y s TYR 34 Ca 0.00 1.43 -0.12 0.00 -1.01 0.00 0.00 57.07 57.37 1r4y s TYR 34 Cb 0.00 -3.65 0.01 0.00 -0.11 0.00 0.00 41.96 38.21 1r4y s TYR 34 CO 0.00 -2.31 1.07 -1.25 -1.11 0.00 0.00 175.55 171.95 1r4y s PRO 35 N -2.70 2.86 0.24 -1.71 0.04 -1.26 -4.67 135.00 127.80 1r4y s PRO 35 Ca 0.66 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.79 1r4y s PRO 35 Cb -0.36 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1r4y s PRO 35 CO 0.44 -1.17 0.12 -3.38 0.04 0.00 0.00 177.00 173.06 1r4y s HIS 36 N -2.84 1.38 0.48 0.56 -3.43 -1.10 -2.42 115.29 107.91 1r4y s HIS 36 Ca 0.60 -1.30 -0.22 0.00 -0.80 0.00 0.00 55.06 53.35 1r4y s HIS 36 Cb -0.16 -0.74 -0.07 0.00 -1.43 0.00 0.00 32.58 30.18 1r4y s HIS 36 CO 0.50 -0.50 1.11 -0.46 -2.00 0.00 0.00 174.74 173.40 1r4y s TRP 37 N -3.92 2.90 -0.63 0.38 -0.00 -1.26 -1.96 118.94 114.44 1r4y s TRP 37 Ca 0.38 1.56 0.05 0.00 -0.00 0.00 0.00 56.10 58.10 1r4y s TRP 37 Cb 0.07 -3.26 0.18 0.00 -0.00 0.00 0.00 33.47 30.47 1r4y s TRP 37 CO 0.14 -1.26 0.51 0.34 -0.00 0.00 0.00 176.95 176.67 1r4y n PHE 38 N -0.74 2.44 -0.28 5.86 7.35 0.11 -4.72 117.46 127.48 1r4y n PHE 38 Ca 0.09 -4.09 0.27 0.00 -0.76 0.00 0.00 57.45 52.96 1r4y n PHE 38 Cb 0.50 -0.45 0.50 0.00 0.35 0.00 0.00 39.48 40.38 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 1.93 -0.35 -1.36 -2.13 -2.24 -1.26 -4.43 114.28 104.43 1r4y n THR 39 Ca 0.23 1.73 -0.13 0.00 -2.27 0.00 0.00 64.05 63.61 1r4y n THR 39 Cb 0.39 -2.81 -0.05 0.00 -2.10 0.00 0.00 70.33 65.76 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 -4.91 -5.63 0.00 3.42 5.15 -1.26 -0.82 115.26 111.21 1r4y n ASN 40 Ca 0.32 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.61 1r4y n ASN 40 Cb 1.10 -4.28 0.00 0.00 -0.53 0.00 0.00 39.78 36.08 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 0.16 3.09 3.32 8.20 0.00 -1.26 -3.78 105.19 114.92 1r4y n GLY 41 Ca -0.13 -1.07 -0.34 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 -2.31 0.06 1.61 4.01 0.00 -4.08 117.16 116.46 1r4y n TYR 42 Ca 0.00 0.18 -0.17 0.00 -0.16 0.00 0.00 57.90 57.75 1r4y n TYR 42 Cb 0.00 -1.71 -0.14 0.00 -0.31 0.00 0.00 39.34 37.18 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 -1.35 0.39 0.00 7.72 3.32 -1.06 -3.45 116.42 121.99 1r4y h ASP 43 Ca -0.44 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.07 1r4y h ASP 43 Cb 1.29 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1r4y h ASP 43 CO 0.32 1.45 0.00 0.61 -1.72 0.00 0.00 179.24 179.91 1r4y n GLY 44 N 1.67 1.66 0.06 2.75 0.00 -1.26 -5.01 105.19 105.06 1r4y n GLY 44 Ca -0.16 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1r4y n GLY 44 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1r4y h ASP 45 N 1.50 0.00 0.00 1.61 5.19 -1.89 0.59 116.42 123.42 1r4y h ASP 45 Ca 0.00 -0.55 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 1r4y h ASP 45 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1r4y h ASP 45 CO 0.00 0.82 0.00 0.61 -3.12 0.00 0.00 179.24 177.55 1r4y n GLY 46 N 1.67 0.00 3.12 2.75 0.00 -1.24 -4.24 105.19 107.26 1r4y n GLY 46 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.67 0.05 1.61 1.02 -1.26 -4.85 119.74 116.98 1r4y s LYS 47 Ca 0.00 -1.13 0.03 0.00 0.02 0.00 0.00 55.97 54.89 1r4y s LYS 47 Cb 0.00 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.52 1r4y s LYS 47 CO 0.00 -0.15 0.01 -0.51 -0.92 0.00 0.00 175.35 173.78 1r4y s LEU 48 N -2.87 3.53 1.13 3.17 1.43 -1.26 -0.45 118.68 123.35 1r4y s LEU 48 Ca 0.06 -0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 1r4y s LEU 48 Cb 0.07 -2.16 0.26 0.00 0.03 0.00 0.00 46.19 44.38 1r4y s LEU 48 CO -0.10 0.21 1.17 -2.16 0.23 0.00 0.00 176.35 175.70 1r4y s PRO 49 N -2.03 -0.67 -0.63 1.29 0.04 -1.26 -4.94 135.00 126.80 1r4y s PRO 49 Ca 0.24 -0.15 -0.27 0.00 0.04 0.00 0.00 61.00 60.85 1r4y s PRO 49 Cb -0.12 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1r4y s PRO 49 CO 0.16 -3.33 1.41 0.21 0.04 0.00 0.00 177.00 175.49 1r4y s LYS 50 N -5.53 3.18 0.00 4.56 2.20 -1.26 -4.34 119.74 118.55 1r4y s LYS 50 Ca 0.72 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 1r4y s LYS 50 Cb -0.08 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 1r4y s LYS 50 CO 0.55 -2.10 0.00 0.41 -0.36 0.00 0.00 175.35 173.85 1r4y n GLY 51 N 5.35 0.29 3.82 5.54 0.00 -1.26 -5.16 105.19 113.77 1r4y n GLY 51 Ca 0.10 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.63 1.63 -0.26 1.61 3.03 -1.26 -5.16 118.95 117.91 1r4y s ARG 52 Ca 0.00 -0.96 -0.01 0.00 2.03 0.00 0.00 55.73 56.79 1r4y s ARG 52 Cb 0.00 0.52 0.15 0.00 -1.03 0.00 0.00 34.95 34.58 1r4y s ARG 52 CO 0.00 -0.75 0.42 0.99 -1.13 0.00 0.00 175.30 174.83 1r4y s THR 53 N -3.17 -0.67 0.44 4.99 2.01 -1.26 -5.06 115.64 112.92 1r4y s THR 53 Ca 0.14 -0.10 -0.24 0.00 0.31 0.00 0.00 61.69 61.80 1r4y s THR 53 Cb -0.04 -0.88 -0.08 0.00 0.01 0.00 0.00 72.50 71.52 1r4y s THR 53 CO 0.06 -0.13 1.15 -2.16 -0.69 0.00 0.00 174.62 172.84 1r4y s PRO 54 N 2.59 3.88 -0.10 4.92 0.04 -1.25 -4.85 135.00 140.24 1r4y s PRO 54 Ca 0.13 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 1r4y s PRO 54 Cb -0.15 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1r4y s PRO 54 CO -0.19 -0.44 1.49 0.42 0.04 0.00 0.00 177.00 178.32 1r4y s ILE 55 N -1.54 3.87 0.02 0.56 1.01 -1.26 -4.98 121.20 118.87 1r4y s ILE 55 Ca 0.61 1.06 -0.26 0.00 0.00 0.00 0.00 60.65 62.06 1r4y s ILE 55 Cb -0.28 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1r4y s ILE 55 CO 0.34 -0.10 0.80 -0.75 0.00 0.00 0.00 174.94 175.24 1r4y s LYS 56 N 3.82 4.51 -0.04 2.79 2.20 -1.26 -4.94 119.74 126.82 1r4y s LYS 56 Ca 0.66 1.11 -0.04 0.00 -0.36 0.00 0.00 55.97 57.33 1r4y s LYS 56 Cb -0.28 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 1r4y s LYS 56 CO 0.23 0.17 -0.10 1.19 -0.36 0.00 0.00 175.35 176.48 1r4y n PHE 57 N 3.23 0.00 0.00 4.03 3.72 -1.26 -4.84 117.46 122.34 1r4y n PHE 57 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1r4y n PHE 57 Cb 0.51 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 2.67 1.23 3.73 1.37 0.00 -1.26 -5.11 105.19 107.82 1r4y n GLY 58 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 4.30 0.00 1.61 -0.14 -1.26 -4.96 119.74 119.30 1r4y s LYS 59 Ca 0.00 0.45 0.14 0.00 -1.36 0.00 0.00 55.97 55.20 1r4y s LYS 59 Cb 0.00 -3.41 0.77 0.00 -1.68 0.00 0.00 37.83 33.50 1r4y s LYS 59 CO 0.00 0.21 1.30 0.45 -0.76 0.00 0.00 175.35 176.55 1r4y n SER 60 N 3.47 0.00 -0.09 2.83 2.88 -1.26 -1.02 113.62 120.44 1r4y n SER 60 Ca -0.08 -0.21 -0.14 0.00 -1.33 0.00 0.00 58.87 57.11 1r4y n SER 60 Cb 0.52 -0.12 -0.07 0.00 -0.75 0.00 0.00 64.21 63.78 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 0.00 0.52 -3.46 3.32 -1.94 -3.15 116.42 111.71 1r4y h ASP 61 Ca 0.00 -0.35 -0.23 0.00 0.02 0.00 0.00 57.03 56.47 1r4y h ASP 61 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1r4y h ASP 61 CO 0.00 1.12 -0.99 0.00 -1.72 0.00 0.00 179.24 177.65 1r4y h ASP 63 N 0.14 0.86 -3.28 0.00 3.58 -1.29 -3.45 116.42 112.98 1r4y h ASP 63 Ca -0.08 -0.10 -0.53 0.00 0.42 0.00 0.00 57.03 56.74 1r4y h ASP 63 Cb 1.65 -0.22 0.22 0.00 1.72 0.00 0.00 39.33 42.70 1r4y h ASP 63 CO 0.16 0.75 -0.66 -2.11 -2.88 0.00 0.00 179.24 174.49 1r4y n ARG 64 N -4.33 -0.23 -2.10 0.28 1.85 -1.17 -4.88 116.66 106.07 1r4y n ARG 64 Ca 0.06 -0.03 -0.42 0.00 -1.00 0.00 0.00 57.85 56.46 1r4y n ARG 64 Cb 0.15 -1.79 -0.03 0.00 -1.05 0.00 0.00 32.46 29.74 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 -3.45 4.20 0.99 2.89 0.04 -1.26 -4.99 135.00 133.42 1r4y s PRO 65 Ca 0.56 2.08 -0.12 0.00 0.04 0.00 0.00 61.00 63.55 1r4y s PRO 65 Cb -0.22 -3.90 0.18 0.00 0.04 0.00 0.00 34.50 30.61 1r4y s PRO 65 CO 0.68 -0.79 1.09 -1.25 0.04 0.00 0.00 177.00 176.77 1r4y s PRO 66 N 3.75 0.49 -0.03 0.56 0.04 -1.26 -4.91 135.00 133.64 1r4y s PRO 66 Ca 0.69 0.60 0.03 0.00 0.04 0.00 0.00 61.00 62.36 1r4y s PRO 66 Cb -0.31 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1r4y s PRO 66 CO 0.27 -2.71 -0.11 0.21 0.04 0.00 0.00 177.00 174.70 1r4y s LYS 67 N -4.92 1.08 0.28 4.56 2.47 -1.22 -3.59 119.74 118.39 1r4y s LYS 67 Ca 0.65 -0.37 0.10 0.00 -1.56 0.00 0.00 55.97 54.80 1r4y s LYS 67 Cb -0.19 -1.00 -0.05 0.00 -1.46 0.00 0.00 37.83 35.14 1r4y s LYS 67 CO 0.58 0.16 -0.06 -1.58 0.16 0.00 0.00 175.35 174.61 1r4y s HIS 68 N 0.09 2.56 0.25 4.03 5.65 0.21 -3.73 115.29 124.35 1r4y s HIS 68 Ca -0.02 -0.28 -0.11 0.00 0.25 0.00 0.00 55.06 54.90 1r4y s HIS 68 Cb -0.08 -1.17 -0.01 0.00 -1.18 0.00 0.00 32.58 30.14 1r4y s HIS 68 CO 0.01 0.63 0.45 -1.12 -0.65 0.00 0.00 174.74 174.06 1r4y s SER 69 N -3.63 -0.01 -1.42 9.88 0.01 -1.26 -4.85 113.70 112.42 1r4y s SER 69 Ca 0.31 -1.01 -0.07 0.00 1.31 0.00 0.00 55.95 56.49 1r4y s SER 69 Cb -0.05 0.58 0.06 0.00 0.21 0.00 0.00 66.02 66.81 1r4y s SER 69 CO 0.18 -1.13 2.54 0.29 0.41 0.00 0.00 173.24 175.53 1r4y n LYS 70 N -0.38 4.26 0.00 12.44 4.01 -1.26 -3.77 118.16 133.45 1r4y n LYS 70 Ca -0.01 -3.07 0.00 0.00 -0.51 0.00 0.00 58.31 54.72 1r4y n LYS 70 Cb 0.62 -2.71 0.00 0.00 -0.51 0.00 0.00 35.03 32.44 1r4y n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1r4y n ASP 71 N 2.45 0.00 0.00 4.39 8.00 -1.26 -5.04 116.55 125.09 1r4y n ASP 71 Ca 0.66 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1r4y n ASP 71 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r4y n GLY 72 N -0.64 2.42 2.56 0.44 0.00 -1.25 -4.81 105.19 103.90 1r4y n GLY 72 Ca 0.00 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 1r4y n GLY 72 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r4y n ASN 73 N 0.00 2.79 0.00 1.61 6.94 -1.26 -4.45 115.26 120.90 1r4y n ASN 73 Ca 0.00 -3.34 0.00 0.00 -0.02 0.00 0.00 54.58 51.22 1r4y n ASN 73 Cb 0.00 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 36.82 1r4y n ASN 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r4y n GLY 74 N 0.21 -1.86 0.00 4.83 0.00 -1.26 -4.87 105.19 102.24 1r4y n GLY 74 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.11 1.61 5.02 -1.26 -4.80 118.16 118.61 1r4y n LYS 75 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1r4y n LYS 75 Cb 0.00 -0.26 0.04 0.00 -0.02 0.00 0.00 35.03 34.79 1r4y n LYS 75 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1r4y n THR 76 N 0.00 0.79 -0.57 -0.18 5.66 -1.26 -5.08 114.28 113.65 1r4y n THR 76 Ca 0.00 -0.89 -0.18 0.00 -3.05 0.00 0.00 64.05 59.93 1r4y n THR 76 Cb 0.00 0.44 -0.06 0.00 -1.55 0.00 0.00 70.33 69.16 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 -0.52 0.17 -3.75 1.09 8.00 -1.26 -4.68 116.55 115.59 1r4y n ASP 77 Ca 0.04 0.13 -0.42 0.00 0.71 0.00 0.00 54.79 55.25 1r4y n ASP 77 Cb 0.49 -0.36 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1r4y n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r4y n HIS 78 N 3.83 2.62 -3.55 1.24 1.44 -1.25 -4.67 115.22 114.88 1r4y n HIS 78 Ca 0.25 -2.69 -0.37 0.00 -2.01 0.00 0.00 57.72 52.90 1r4y n HIS 78 Cb 0.00 -1.58 -0.06 0.00 0.12 0.00 0.00 29.99 28.48 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 -1.84 3.67 0.35 -1.40 1.13 -1.24 -3.38 117.35 114.64 1r4y s TYR 79 Ca 0.41 0.90 -0.28 0.00 -1.41 0.00 0.00 57.07 56.69 1r4y s TYR 79 Cb 0.13 -2.22 -0.09 0.00 -1.10 0.00 0.00 41.96 38.67 1r4y s TYR 79 CO -0.02 0.61 1.23 -0.51 -2.51 0.00 0.00 175.55 174.34 1r4y s LEU 80 N -1.36 4.37 0.02 -3.49 1.02 -1.26 -2.19 118.68 115.79 1r4y s LEU 80 Ca 0.26 2.51 0.05 0.00 0.02 0.00 0.00 54.13 56.97 1r4y s LEU 80 Cb -0.15 -3.77 -0.02 0.00 0.02 0.00 0.00 46.19 42.27 1r4y s LEU 80 CO 0.14 -0.52 -0.15 -0.76 0.02 0.00 0.00 176.35 175.08 1r4y s LEU 81 N -1.98 2.12 0.15 1.79 1.02 0.11 0.03 118.68 121.92 1r4y s LEU 81 Ca 0.51 -0.40 0.05 0.00 0.02 0.00 0.00 54.13 54.31 1r4y s LEU 81 Cb -0.35 -0.71 -0.04 0.00 0.02 0.00 0.00 46.19 45.10 1r4y s LEU 81 CO 0.46 0.11 0.11 -1.83 0.02 0.00 0.00 176.35 175.21 1r4y s GLU 82 N -0.85 2.82 -0.06 1.70 1.03 -0.83 -1.31 118.70 121.20 1r4y s GLU 82 Ca 0.04 -0.87 -0.02 0.00 0.03 0.00 0.00 54.97 54.15 1r4y s GLU 82 Cb -0.07 -2.62 0.04 0.00 -0.80 0.00 0.00 34.13 30.68 1r4y s GLU 82 CO 0.01 0.50 0.13 0.12 -1.33 0.00 0.00 175.26 174.68 1r4y s PHE 83 N -1.67 -0.13 -0.82 4.83 5.36 -0.75 -2.72 117.98 122.07 1r4y s PHE 83 Ca 0.30 0.44 -0.25 0.00 -0.96 0.00 0.00 56.93 56.46 1r4y s PHE 83 Cb -0.10 -0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.43 1r4y s PHE 83 CO 0.22 -0.17 1.77 -1.25 -1.46 0.00 0.00 175.22 174.34 1r4y s PRO 84 N 1.28 2.81 -0.37 10.12 0.04 -1.26 -0.97 135.00 146.64 1r4y s PRO 84 Ca -0.08 -0.16 -0.14 0.00 0.04 0.00 0.00 61.00 60.67 1r4y s PRO 84 Cb -0.12 -4.82 -0.00 0.00 0.04 0.00 0.00 34.50 29.60 1r4y s PRO 84 CO -0.05 -2.88 0.27 -0.08 0.04 0.00 0.00 177.00 174.29 1r4y s THR 85 N 8.53 5.27 0.56 1.26 -1.32 -1.26 -4.65 115.64 124.05 1r4y s THR 85 Ca 0.62 -0.39 -0.11 0.00 -1.21 0.00 0.00 61.69 60.60 1r4y s THR 85 Cb -0.07 -3.80 -0.05 0.00 -1.51 0.00 0.00 72.50 67.06 1r4y s THR 85 CO 0.06 -0.13 0.97 -0.36 -2.21 0.00 0.00 174.62 172.94 1r4y s PHE 86 N 1.71 3.57 0.08 9.09 0.08 -1.26 -4.84 117.98 126.42 1r4y s PHE 86 Ca 0.06 1.24 -0.12 0.00 0.12 0.00 0.00 56.93 58.22 1r4y s PHE 86 Cb -0.18 -2.65 -0.22 0.00 -0.57 0.00 0.00 43.02 39.40 1r4y s PHE 86 CO 0.10 -0.52 1.20 -1.00 -0.10 0.00 0.00 175.22 174.90 1r4y h PRO 87 N 0.12 0.65 -1.17 0.24 0.13 -1.94 -3.20 132.00 126.83 1r4y h PRO 87 Ca -0.45 -0.72 0.44 0.00 -0.87 0.00 0.00 66.00 64.40 1r4y h PRO 87 Cb 1.19 0.21 -0.16 0.00 0.13 0.00 0.00 31.00 32.37 1r4y h PRO 87 CO 0.62 1.30 0.70 0.22 -0.23 0.00 0.00 178.00 180.61 1r4y h ASP 88 N 0.36 0.28 0.00 1.44 1.82 -1.95 -3.45 116.42 114.91 1r4y h ASP 88 Ca -0.13 0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1r4y h ASP 88 Cb 1.71 0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.93 1r4y h ASP 88 CO 0.20 -0.34 0.00 0.61 -1.61 0.00 0.00 179.24 178.11 1r4y n GLY 89 N -1.38 0.25 3.68 -0.78 0.00 -1.21 -5.06 105.19 100.69 1r4y n GLY 89 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 2.06 -0.07 1.61 -3.43 -1.26 -4.91 115.29 107.29 1r4y s HIS 90 Ca 0.00 0.04 -0.29 0.00 -0.80 0.00 0.00 55.06 54.01 1r4y s HIS 90 Cb 0.00 -4.08 -0.07 0.00 -1.43 0.00 0.00 32.58 27.00 1r4y s HIS 90 CO 0.00 -4.52 1.92 0.34 -2.00 0.00 0.00 174.74 170.48 1r4y s ASP 91 N 3.01 6.25 0.73 7.38 -1.08 -1.26 -4.55 116.67 127.15 1r4y s ASP 91 Ca 0.79 2.28 -0.17 0.00 -0.52 0.00 0.00 52.55 54.93 1r4y s ASP 91 Cb -0.42 -2.53 -0.11 0.00 -1.46 0.00 0.00 42.92 38.41 1r4y s ASP 91 CO 0.35 -1.27 -0.08 0.00 0.52 0.00 0.00 175.17 174.69 1r4y n TYR 92 N 8.54 -2.81 -2.26 -5.34 9.36 -1.26 -4.88 117.16 118.50 1r4y n TYR 92 Ca 0.22 0.27 -0.42 0.00 3.32 0.00 0.00 57.90 61.29 1r4y n TYR 92 Cb 0.43 -1.69 0.00 0.00 -0.63 0.00 0.00 39.34 37.45 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 0.92 4.03 0.00 2.98 2.85 -1.26 -4.63 118.16 123.06 1r4y n LYS 93 Ca 0.06 -3.58 0.15 0.00 -1.05 0.00 0.00 58.31 53.88 1r4y n LYS 93 Cb 0.51 -2.79 0.71 0.00 -0.65 0.00 0.00 35.03 32.80 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 2.91 0.00 -0.01 5.58 -1.74 -1.26 -3.85 117.46 119.10 1r4y n PHE 94 Ca 0.47 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 57.17 1r4y n PHE 94 Cb 0.32 -0.31 -0.14 0.00 1.52 0.00 0.00 39.48 40.87 1r4y n PHE 94 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1r4y n ASP 95 N -1.29 1.90 -4.51 5.98 8.00 -1.26 -0.62 116.55 124.75 1r4y n ASP 95 Ca 0.13 0.22 -0.43 0.00 0.71 0.00 0.00 54.79 55.41 1r4y n ASP 95 Cb 0.27 -0.69 -0.05 0.00 -0.02 0.00 0.00 41.12 40.62 1r4y n ASP 95 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1r4y s SER 96 N -6.85 6.34 0.16 -2.24 0.01 -1.25 -3.86 113.70 106.01 1r4y s SER 96 Ca -0.20 -0.39 -0.15 0.00 1.31 0.00 0.00 55.95 56.51 1r4y s SER 96 Cb 0.07 -2.39 0.06 0.00 0.21 0.00 0.00 66.02 63.97 1r4y s SER 96 CO 0.77 -1.08 1.79 0.07 0.41 0.00 0.00 173.24 175.20 1r4y h LYS 97 N 9.16 0.43 -3.39 12.44 2.10 -1.85 -3.35 116.57 132.10 1r4y h LYS 97 Ca -0.26 -0.03 -0.25 0.00 -2.00 0.00 0.00 60.65 58.11 1r4y h LYS 97 Cb 1.08 -0.10 -0.31 0.00 -0.90 0.00 0.00 32.23 32.00 1r4y h LYS 97 CO 1.03 0.28 -0.64 0.21 -2.00 0.00 0.00 179.45 178.33 1r4y s LYS 98 N -6.15 0.05 1.13 0.07 2.36 -1.26 -4.05 119.74 111.89 1r4y s LYS 98 Ca -0.13 0.26 -0.16 0.00 -2.55 0.00 0.00 55.97 53.40 1r4y s LYS 98 Cb 0.12 -0.15 0.25 0.00 -1.05 0.00 0.00 37.83 37.00 1r4y s LYS 98 CO 0.72 -0.14 1.08 -1.25 1.55 0.00 0.00 175.35 177.32 1r4y s PRO 99 N 0.91 -0.62 0.05 4.03 0.04 -1.26 -5.18 135.00 132.97 1r4y s PRO 99 Ca -0.07 0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.27 1r4y s PRO 99 Cb -0.10 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 1r4y s PRO 99 CO -0.04 -3.39 -0.05 -1.59 0.04 0.00 0.00 177.00 171.97 1r4y s LYS 100 N -5.08 0.57 0.48 4.56 -2.85 -1.26 -4.78 119.74 111.39 1r4y s LYS 100 Ca 0.68 -0.97 0.06 0.00 -1.00 0.00 0.00 55.97 54.74 1r4y s LYS 100 Cb -0.16 -0.06 0.03 0.00 -2.06 0.00 0.00 37.83 35.58 1r4y s LYS 100 CO 0.58 -0.03 0.65 -2.00 0.10 0.00 0.00 175.35 174.66 1r4y s GLU 101 N -2.64 2.67 0.42 1.78 2.12 -1.26 -5.07 118.70 116.72 1r4y s GLU 101 Ca -0.02 -1.16 -0.24 0.00 0.36 0.00 0.00 54.97 53.90 1r4y s GLU 101 Cb -0.02 -2.67 -0.10 0.00 0.26 0.00 0.00 34.13 31.60 1r4y s GLU 101 CO -0.04 -0.47 1.07 0.09 -0.54 0.00 0.00 175.26 175.37 1r4y n ASN 102 N -2.04 1.54 0.02 -1.70 3.02 -1.26 -4.98 115.26 109.86 1r4y n ASN 102 Ca 0.09 1.05 -0.01 0.00 -0.03 0.00 0.00 54.58 55.68 1r4y n ASN 102 Cb 0.59 -1.39 -0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1r4y n ASN 102 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1r4y h PRO 103 N 1.64 -0.06 0.00 3.52 0.13 -1.97 -3.49 132.00 131.77 1r4y h PRO 103 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1r4y h PRO 103 Cb 1.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1r4y h PRO 103 CO 0.57 -0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 1r4y n GLY 104 N 1.03 3.65 0.12 1.56 0.00 -1.26 -4.70 105.19 105.59 1r4y n GLY 104 Ca -0.01 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 1r4y n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r4y h PRO 105 N 0.00 -0.18 -6.78 1.61 0.13 -1.97 -3.45 132.00 121.36 1r4y h PRO 105 Ca 0.00 0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.63 1r4y h PRO 105 Cb 0.00 0.04 0.03 0.00 0.13 0.00 0.00 31.00 31.20 1r4y h PRO 105 CO 0.00 0.15 0.54 0.00 -0.23 0.00 0.00 178.00 178.46 1r4y s ALA 106 N -3.20 3.44 -0.00 -0.56 0.00 -1.26 -4.60 121.76 115.58 1r4y s ALA 106 Ca -0.09 1.00 -0.07 0.00 0.00 0.00 0.00 51.96 52.80 1r4y s ALA 106 Cb -0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1r4y s ALA 106 CO 0.32 -0.34 0.13 1.03 0.00 0.00 0.00 175.76 176.90 1r4y s ARG 107 N -1.15 0.46 -0.37 0.00 0.52 -1.13 -4.08 118.95 113.20 1r4y s ARG 107 Ca 0.48 -0.37 -0.26 0.00 -0.52 0.00 0.00 55.73 55.06 1r4y s ARG 107 Cb -0.34 0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.33 1r4y s ARG 107 CO 0.42 -0.11 0.93 0.54 0.02 0.00 0.00 175.30 177.11 1r4y s VAL 108 N -1.29 4.58 -0.27 3.52 0.11 -0.14 -1.82 120.40 125.08 1r4y s VAL 108 Ca -0.14 1.20 -0.10 0.00 -2.93 0.00 0.00 61.98 60.01 1r4y s VAL 108 Cb -0.07 -4.34 -0.05 0.00 -1.53 0.00 0.00 36.38 30.39 1r4y s VAL 108 CO 0.01 -0.55 0.16 -0.63 -3.33 0.00 0.00 175.10 170.77 1r4y s ILE 109 N 3.50 5.08 0.11 7.04 1.09 0.01 -1.82 121.20 136.21 1r4y s ILE 109 Ca 0.38 0.09 0.00 0.00 -1.10 0.00 0.00 60.65 60.03 1r4y s ILE 109 Cb -0.12 -3.41 -0.04 0.00 -1.06 0.00 0.00 42.46 37.83 1r4y s ILE 109 CO 0.19 0.28 -0.00 -0.72 -0.10 0.00 0.00 174.94 174.59 1r4y s TYR 110 N 1.63 0.83 0.44 3.97 -0.85 -0.43 -1.52 117.35 121.43 1r4y s TYR 110 Ca 0.07 -1.08 -0.02 0.00 -0.52 0.00 0.00 57.07 55.52 1r4y s TYR 110 Cb -0.15 -0.50 -0.02 0.00 0.38 0.00 0.00 41.96 41.67 1r4y s TYR 110 CO 0.09 -0.35 0.68 0.95 -1.52 0.00 0.00 175.55 175.40 1r4y s THR 111 N -3.85 4.55 0.18 -3.49 -4.23 -1.21 0.04 115.64 107.63 1r4y s THR 111 Ca 0.16 -0.27 0.07 0.00 -1.18 0.00 0.00 61.69 60.48 1r4y s THR 111 Cb 0.07 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 1r4y s THR 111 CO -0.03 -0.55 0.01 -0.47 -0.54 0.00 0.00 174.62 173.04 1r4y s TYR 112 N -2.56 2.85 -0.05 3.99 6.14 -0.93 -3.48 117.35 123.31 1r4y s TYR 112 Ca 0.46 -0.13 -0.21 0.00 0.64 0.00 0.00 57.07 57.82 1r4y s TYR 112 Cb -0.10 -1.38 -0.16 0.00 0.42 0.00 0.00 41.96 40.75 1r4y s TYR 112 CO 0.40 0.52 0.91 -1.00 0.64 0.00 0.00 175.55 177.02 1r4y h PRO 113 N 2.64 -0.22 -5.85 4.97 0.13 -1.83 -3.39 132.00 128.46 1r4y h PRO 113 Ca -0.47 0.01 -0.73 0.00 -0.87 0.00 0.00 66.00 63.95 1r4y h PRO 113 Cb 1.21 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 1r4y h PRO 113 CO 0.58 0.21 1.39 -1.71 -0.23 0.00 0.00 178.00 178.24 1r4y n ASN 114 N -4.93 0.70 -3.30 1.44 2.85 -1.26 -4.69 115.26 106.07 1r4y n ASN 114 Ca -0.08 0.60 -0.26 0.00 -0.11 0.00 0.00 54.58 54.73 1r4y n ASN 114 Cb 0.26 -0.91 -0.04 0.00 1.24 0.00 0.00 39.78 40.34 1r4y n ASN 114 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1r4y n LYS 115 N 7.67 1.27 -1.83 1.20 4.81 -1.23 -4.30 118.16 125.74 1r4y n LYS 115 Ca 0.56 -1.32 -0.38 0.00 -0.87 0.00 0.00 58.31 56.31 1r4y n LYS 115 Cb -0.02 -2.49 -0.04 0.00 0.02 0.00 0.00 35.03 32.49 1r4y n LYS 115 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1r4y n VAL 116 N 5.17 2.48 -1.65 3.15 0.31 -1.25 -4.85 118.33 121.70 1r4y n VAL 116 Ca 0.37 -2.41 -0.63 0.00 -0.01 0.00 0.00 64.34 61.66 1r4y n VAL 116 Cb 0.21 -2.31 -0.09 0.00 -0.91 0.00 0.00 33.84 30.74 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 9.96 1.35 -0.13 3.52 -0.00 -1.26 -3.35 117.46 127.55 1r4y n PHE 117 Ca 0.48 1.05 -0.18 0.00 -0.00 0.00 0.00 57.45 58.80 1r4y n PHE 117 Cb 0.43 -2.20 -0.11 0.00 -0.00 0.00 0.00 39.48 37.60 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 2.22 -2.13 3.74 0.00 0.00 -1.20 -4.98 105.19 102.83 1r4y n GLY 119 Ca -0.45 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.52 4.45 0.17 -0.61 1.09 -1.26 -0.81 121.20 121.71 1r4y s ILE 120 Ca 0.00 -0.52 0.11 0.00 -1.10 0.00 0.00 60.65 59.14 1r4y s ILE 120 Cb 0.00 -3.02 -0.04 0.00 -1.06 0.00 0.00 42.46 38.34 1r4y s ILE 120 CO 0.00 0.35 -0.25 0.27 -0.10 0.00 0.00 174.94 175.21 1r4y s ILE 121 N -1.15 2.35 -0.30 2.92 -4.36 -0.76 0.50 121.20 120.40 1r4y s ILE 121 Ca 0.22 -1.92 -0.17 0.00 -0.26 0.00 0.00 60.65 58.52 1r4y s ILE 121 Cb -0.12 -2.10 0.18 0.00 1.25 0.00 0.00 42.46 41.68 1r4y s ILE 121 CO 0.13 -0.04 1.15 0.00 0.24 0.00 0.00 174.94 176.42 1r4y s ALA 122 N -1.46 -2.75 -0.95 2.27 0.00 -0.48 -2.82 121.76 115.57 1r4y s ALA 122 Ca 0.19 1.99 -0.19 0.00 0.00 0.00 0.00 51.96 53.95 1r4y s ALA 122 Cb -0.09 -2.02 0.12 0.00 0.00 0.00 0.00 23.12 21.13 1r4y s ALA 122 CO 0.09 -0.61 1.18 -3.38 0.00 0.00 0.00 175.76 173.03 1r4y s HIS 123 N 1.64 3.04 -0.66 0.00 -3.43 -1.26 -3.32 115.29 111.30 1r4y s HIS 123 Ca -0.05 -1.32 -0.01 0.00 -0.80 0.00 0.00 55.06 52.88 1r4y s HIS 123 Cb -0.03 -4.34 0.44 0.00 -1.43 0.00 0.00 32.58 27.21 1r4y s HIS 123 CO -0.14 -1.55 1.95 0.25 -2.00 0.00 0.00 174.74 173.25 1r4y n THR 124 N 5.70 3.52 -0.04 -5.38 -2.24 -1.26 -4.38 114.28 110.20 1r4y n THR 124 Ca 0.25 -3.25 -0.21 0.00 -2.27 0.00 0.00 64.05 58.58 1r4y n THR 124 Cb 0.49 -1.17 -0.13 0.00 -2.10 0.00 0.00 70.33 67.42 1r4y n THR 124 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1r4y n LYS 125 N -0.85 0.71 0.00 -0.78 4.81 -1.26 -5.03 118.16 115.76 1r4y n LYS 125 Ca 0.60 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 1r4y n LYS 125 Cb 0.63 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 34.02 1r4y n LYS 125 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1r4y n GLU 126 N -3.53 0.00 -0.83 1.64 -0.58 -1.26 -4.98 120.64 111.10 1r4y n GLU 126 Ca -0.36 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.34 1r4y n GLU 126 Cb 1.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.83 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 -0.52 -2.99 1.62 5.15 -1.26 -5.05 115.26 112.21 1r4y n ASN 127 Ca 0.00 -1.64 0.03 0.00 -0.60 0.00 0.00 54.58 52.36 1r4y n ASN 127 Cb 0.00 0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 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 0.37 0.00 1.20 -0.21 -1.26 -5.11 119.66 114.65 1r4y s GLN 128 Ca 0.02 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.39 1r4y s GLN 128 Cb 0.02 0.07 0.00 0.00 1.00 0.00 0.00 33.01 34.10 1r4y s GLN 128 CO -0.01 -0.57 0.00 0.41 -2.12 0.00 0.00 175.29 173.00 1r4y n GLY 129 N 4.33 1.04 2.92 3.09 0.00 -1.26 -4.97 105.19 110.34 1r4y n GLY 129 Ca 0.08 0.52 -0.39 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.64 1.61 4.07 -1.26 -4.65 120.64 118.77 1r4y n GLU 130 Ca 0.00 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 1r4y n GLU 130 Cb 0.00 -0.87 0.02 0.00 -0.06 0.00 0.00 31.44 30.52 1r4y n GLU 130 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1r4y n LEU 131 N 1.92 3.25 -4.31 4.31 4.32 -1.26 -4.61 117.00 120.62 1r4y n LEU 131 Ca 0.12 1.01 -0.26 0.00 -0.02 0.00 0.00 56.01 56.86 1r4y n LEU 131 Cb 0.29 -1.40 -0.13 0.00 -1.62 0.00 0.00 43.42 40.56 1r4y n LEU 131 CO 0.48 -1.31 -0.54 -1.59 -1.22 0.00 0.00 177.39 173.22 1r4y s LYS 132 N -2.22 1.31 0.21 3.23 -2.85 -1.21 -4.75 119.74 113.46 1r4y s LYS 132 Ca 0.65 -1.16 -0.32 0.00 -1.00 0.00 0.00 55.97 54.13 1r4y s LYS 132 Cb -0.51 -1.60 -0.13 0.00 -2.06 0.00 0.00 37.83 33.52 1r4y s LYS 132 CO 0.55 0.39 1.57 -0.11 0.10 0.00 0.00 175.35 177.85 1r4y n LEU 133 N 1.26 3.47 -4.23 2.77 7.94 -1.26 -1.39 117.00 125.56 1r4y n LEU 133 Ca -0.18 1.10 -0.29 0.00 -1.11 0.00 0.00 56.01 55.53 1r4y n LEU 133 Cb 0.53 -1.48 0.27 0.00 0.53 0.00 0.00 43.42 43.27 1r4y n LEU 133 CO 0.23 -0.17 0.32 0.00 -1.11 0.00 0.00 177.39 176.65 1r4y s SER 135 N -2.82 -0.35 0.00 0.00 0.01 -0.99 -4.90 113.70 104.65 1r4y s SER 135 Ca 0.64 0.60 0.30 0.00 1.31 0.00 0.00 55.95 58.79 1r4y s SER 135 Cb -0.14 1.50 1.52 0.00 0.21 0.00 0.00 66.02 69.12 1r4y s SER 135 CO 0.55 -0.27 2.01 0.00 0.41 0.00 0.00 173.24 175.94