#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 0.00 -3.73 0.00 3.14 -1.26 -4.33 118.33 112.16 1r4y n VAL 2 Ca 0.00 0.08 -0.38 0.00 -2.96 0.00 0.00 64.34 61.08 1r4y n VAL 2 Cb 0.00 -0.33 -0.12 0.00 -1.06 0.00 0.00 33.84 32.33 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 -2.11 4.20 0.16 1.55 2.01 -1.26 -1.81 115.64 118.38 1r4y s THR 3 Ca 0.00 -0.56 -0.28 0.00 0.31 0.00 0.00 61.69 61.16 1r4y s THR 3 Cb 0.00 -3.14 -0.07 0.00 0.01 0.00 0.00 72.50 69.30 1r4y s THR 3 CO 0.00 0.10 0.89 0.26 -0.69 0.00 0.00 174.62 175.17 1r4y s TRP 4 N 1.55 3.89 -0.01 4.92 0.52 0.74 -4.73 118.94 125.81 1r4y s TRP 4 Ca 0.04 1.76 0.03 0.00 0.02 0.00 0.00 56.10 57.95 1r4y s TRP 4 Cb -0.17 -2.93 -0.01 0.00 -1.15 0.00 0.00 33.47 29.21 1r4y s TRP 4 CO 0.04 0.38 -0.11 0.99 0.02 0.00 0.00 176.95 178.26 1r4y s THR 5 N -0.68 0.86 -0.55 2.01 2.01 -1.26 0.54 115.64 118.58 1r4y s THR 5 Ca 0.41 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 62.02 1r4y s THR 5 Cb -0.24 -0.73 0.29 0.00 0.01 0.00 0.00 72.50 71.83 1r4y s THR 5 CO 0.29 0.25 0.77 0.00 -0.69 0.00 0.00 174.62 175.24 1r4y n GLY 7 N 0.54 -1.21 0.00 0.00 0.00 -1.26 -4.68 105.19 98.58 1r4y n GLY 7 Ca 0.28 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 -1.55 -2.47 3.22 -0.02 0.00 -1.26 -4.98 105.19 98.14 1r4y n GLY 8 Ca -0.31 0.79 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 2.08 0.18 0.99 1.43 -1.26 -5.14 118.68 116.95 1r4y s LEU 9 Ca 0.00 -1.17 -0.26 0.00 -1.03 0.00 0.00 54.13 51.67 1r4y s LEU 9 Cb 0.00 0.01 -0.08 0.00 0.03 0.00 0.00 46.19 46.15 1r4y s LEU 9 CO 0.00 -0.59 0.80 -0.76 0.23 0.00 0.00 176.35 176.03 1r4y s LEU 10 N -3.14 4.60 -0.31 1.79 1.02 -1.26 -3.96 118.68 117.42 1r4y s LEU 10 Ca 0.23 1.69 0.01 0.00 0.02 0.00 0.00 54.13 56.08 1r4y s LEU 10 Cb 0.06 -3.35 0.10 0.00 0.02 0.00 0.00 46.19 43.02 1r4y s LEU 10 CO 0.03 0.20 0.07 -0.31 0.02 0.00 0.00 176.35 176.36 1r4y s TYR 11 N -1.13 2.39 -0.13 0.29 2.02 0.19 -4.58 117.35 116.40 1r4y s TYR 11 Ca 0.37 -2.11 -0.33 0.00 -0.37 0.00 0.00 57.07 54.63 1r4y s TYR 11 Cb -0.24 -2.06 -0.10 0.00 -0.40 0.00 0.00 41.96 39.16 1r4y s TYR 11 CO 0.27 -0.88 2.00 -1.71 -1.57 0.00 0.00 175.55 173.65 1r4y n ASN 12 N 4.65 3.37 -0.32 2.29 4.05 -1.26 -0.19 115.26 127.86 1r4y n ASN 12 Ca -0.01 0.76 0.18 0.00 0.45 0.00 0.00 54.58 55.96 1r4y n ASN 12 Cb 0.42 -1.41 0.37 0.00 1.23 0.00 0.00 39.78 40.38 1r4y n ASN 12 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 1r4y h GLN 13 N 10.86 0.16 -0.28 1.20 5.75 -1.55 0.42 115.11 131.67 1r4y h GLN 13 Ca -0.45 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.10 1r4y h GLN 13 Cb 1.27 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 29.70 1r4y h GLN 13 CO 0.96 0.11 -0.39 -0.97 -2.65 0.00 0.00 178.83 175.88 1r4y h ASN 14 N 0.17 -1.27 -0.73 -0.69 -0.73 -1.86 0.35 115.58 110.82 1r4y h ASN 14 Ca 0.64 0.19 0.18 0.00 1.87 0.00 0.00 56.30 59.18 1r4y h ASN 14 Cb 1.39 0.55 -0.04 0.00 0.27 0.00 0.00 38.32 40.49 1r4y h ASN 14 CO -0.71 -0.38 0.50 0.11 -0.37 0.00 0.00 177.43 176.59 1r4y h LYS 15 N -0.37 0.18 0.00 6.67 1.57 -0.55 0.76 116.57 124.83 1r4y h LYS 15 Ca 0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1r4y h LYS 15 Cb 0.58 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1r4y h LYS 15 CO -0.48 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 178.52 1r4y n ALA 16 N -2.60 -0.18 -0.18 3.86 0.00 0.12 0.88 120.51 122.40 1r4y n ALA 16 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 1r4y n ALA 16 Cb 0.67 0.08 0.21 0.00 0.00 0.00 0.00 19.45 20.41 1r4y n ALA 16 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1r4y h GLU 17 N 0.00 0.93 0.38 0.00 4.11 -1.24 -2.07 114.58 116.69 1r4y h GLU 17 Ca 0.00 -0.12 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 1r4y h GLU 17 Cb 0.00 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1r4y h GLU 17 CO 0.00 0.72 -0.18 1.03 0.07 0.00 0.00 179.01 180.65 1r4y h SER 18 N 0.93 -0.43 -1.50 3.06 0.87 0.54 0.92 113.55 117.93 1r4y h SER 18 Ca 0.23 0.01 0.45 0.00 -1.23 0.00 0.00 61.79 61.25 1r4y h SER 18 Cb 0.10 0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 62.08 1r4y h SER 18 CO -0.03 -0.26 1.04 -1.13 -0.53 0.00 0.00 176.83 175.92 1r4y h ASN 19 N -0.61 0.11 0.20 6.23 -0.00 0.48 0.50 115.58 122.49 1r4y h ASN 19 Ca -0.05 0.05 -0.29 0.00 -0.00 0.00 0.00 56.30 56.02 1r4y h ASN 19 Cb 0.39 0.04 0.03 0.00 -0.00 0.00 0.00 38.32 38.79 1r4y h ASN 19 CO 0.09 -0.06 -1.24 -1.28 -0.00 0.00 0.00 177.43 174.94 1r4y h SER 20 N 0.06 0.74 -1.02 1.15 0.87 -0.92 -3.23 113.55 111.21 1r4y h SER 20 Ca 0.79 -0.91 0.38 0.00 -1.23 0.00 0.00 61.79 60.82 1r4y h SER 20 Cb 2.86 -0.24 -0.17 0.00 -0.44 0.00 0.00 62.40 64.41 1r4y h SER 20 CO -0.17 1.60 0.57 0.45 -0.53 0.00 0.00 176.83 178.75 1r4y h HIS 21 N 0.01 0.85 0.04 2.24 3.86 0.60 0.31 115.15 123.07 1r4y h HIS 21 Ca -0.21 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1r4y h HIS 21 Cb 1.97 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 30.23 1r4y h HIS 21 CO 0.15 -0.35 -0.02 0.45 0.86 0.00 0.00 177.93 179.02 1r4y h HIS 22 N 0.13 -0.05 -0.85 2.45 3.86 -1.61 -3.46 115.15 115.61 1r4y h HIS 22 Ca 0.80 -0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 59.35 1r4y h HIS 22 Cb 2.05 0.02 0.05 0.00 1.06 0.00 0.00 27.41 30.58 1r4y h HIS 22 CO -0.01 0.54 0.01 0.00 0.86 0.00 0.00 177.93 179.34 1r4y n ALA 23 N -2.47 -3.15 -2.39 2.45 0.00 0.11 -4.83 120.51 110.23 1r4y n ALA 23 Ca -0.09 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 1r4y n ALA 23 Cb 0.31 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.06 4.31 -0.74 0.00 0.04 -1.26 -4.90 135.00 132.39 1r4y s PRO 24 Ca 0.76 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 63.29 1r4y s PRO 24 Cb -1.06 -3.60 -0.13 0.00 0.04 0.00 0.00 34.50 29.75 1r4y s PRO 24 CO 0.48 -0.52 2.41 -0.11 0.04 0.00 0.00 177.00 179.31 1r4y n LEU 25 N 5.49 1.82 0.00 -3.56 7.94 -1.26 -4.64 117.00 122.79 1r4y n LEU 25 Ca 0.12 -1.28 0.00 0.00 -1.11 0.00 0.00 56.01 53.74 1r4y n LEU 25 Cb 0.45 -1.62 0.00 0.00 0.53 0.00 0.00 43.42 42.78 1r4y n LEU 25 CO 0.56 -2.41 0.00 -1.20 -1.11 0.00 0.00 177.39 173.23 1r4y n SER 26 N 17.92 0.00 -4.70 1.96 7.64 -1.26 -5.00 113.62 130.18 1r4y n SER 26 Ca 0.46 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.99 1r4y n SER 26 Cb 0.44 0.00 -0.09 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 5.92 -0.76 6.43 2.15 -1.26 -4.19 116.67 124.96 1r4y s ASP 27 Ca 0.00 0.18 -0.07 0.00 0.43 0.00 0.00 52.55 53.09 1r4y s ASP 27 Cb 0.00 -2.01 0.01 0.00 -0.30 0.00 0.00 42.92 40.62 1r4y s ASP 27 CO 0.00 0.20 0.62 0.61 -0.17 0.00 0.00 175.17 176.43 1r4y n GLY 28 N 3.36 -1.07 0.89 2.66 0.00 -0.95 -4.59 105.19 105.50 1r4y n GLY 28 Ca -0.17 0.70 -0.01 0.00 0.00 0.00 0.00 46.02 46.54 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 -2.15 0.00 -4.32 1.61 4.76 -1.25 -5.02 118.16 111.79 1r4y n LYS 29 Ca -0.26 -0.98 -0.25 0.00 -2.87 0.00 0.00 58.31 53.95 1r4y n LYS 29 Cb 0.68 0.05 -0.12 0.00 -1.84 0.00 0.00 35.03 33.80 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1r4y s THR 30 N 0.00 1.86 0.17 -0.18 -4.23 -1.26 -5.04 115.64 106.96 1r4y s THR 30 Ca 0.08 -1.65 -0.25 0.00 -1.18 0.00 0.00 61.69 58.68 1r4y s THR 30 Cb 0.09 -1.71 0.03 0.00 1.34 0.00 0.00 72.50 72.26 1r4y s THR 30 CO -0.04 -0.07 1.47 0.61 -0.54 0.00 0.00 174.62 176.05 1r4y n GLY 31 N 0.92 -2.31 0.00 3.99 0.00 -1.00 -2.57 105.19 104.22 1r4y n GLY 31 Ca -0.18 1.11 0.00 0.00 0.00 0.00 0.00 46.02 46.95 1r4y n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r4y n SER 32 N -5.25 0.00 0.00 1.61 2.88 -0.97 -3.95 113.62 107.94 1r4y n SER 32 Ca 0.04 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1r4y n SER 32 Cb 0.29 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1r4y n SER 32 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1r4y n SER 33 N -1.75 0.00 -4.74 -3.46 3.41 -1.06 -4.99 113.62 101.03 1r4y n SER 33 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1r4y n SER 33 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 1r4y n SER 33 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1r4y s TYR 34 N 0.00 2.26 0.78 7.33 2.02 -1.26 -3.88 117.35 124.60 1r4y s TYR 34 Ca 0.00 1.47 -0.11 0.00 -0.37 0.00 0.00 57.07 58.06 1r4y s TYR 34 Cb 0.00 -3.63 0.06 0.00 -0.40 0.00 0.00 41.96 37.98 1r4y s TYR 34 CO 0.00 -2.62 1.09 -1.25 -1.57 0.00 0.00 175.55 171.20 1r4y s PRO 35 N -3.23 2.26 0.09 -1.71 0.04 -1.26 -4.67 135.00 126.52 1r4y s PRO 35 Ca 0.78 0.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 1r4y s PRO 35 Cb -0.35 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1r4y s PRO 35 CO 0.39 -1.50 0.07 -3.38 0.04 0.00 0.00 177.00 172.62 1r4y s HIS 36 N -3.16 0.53 0.23 0.56 -3.43 -1.12 -2.24 115.29 106.66 1r4y s HIS 36 Ca 0.60 -0.98 -0.31 0.00 -0.80 0.00 0.00 55.06 53.57 1r4y s HIS 36 Cb -0.14 -0.31 -0.11 0.00 -1.43 0.00 0.00 32.58 30.59 1r4y s HIS 36 CO 0.54 -0.49 1.63 -0.46 -2.00 0.00 0.00 174.74 173.96 1r4y s TRP 37 N -3.95 2.90 -1.03 0.38 -0.00 -1.26 -1.49 118.94 114.49 1r4y s TRP 37 Ca 0.12 0.59 -0.05 0.00 -0.00 0.00 0.00 56.10 56.77 1r4y s TRP 37 Cb 0.07 -4.05 0.27 0.00 -0.00 0.00 0.00 33.47 29.75 1r4y s TRP 37 CO -0.06 -3.77 1.06 0.34 -0.00 0.00 0.00 176.95 174.52 1r4y n PHE 38 N 3.29 4.41 -0.33 5.86 7.35 0.20 -4.74 117.46 133.50 1r4y n PHE 38 Ca 0.12 -3.78 0.30 0.00 -0.76 0.00 0.00 57.45 53.34 1r4y n PHE 38 Cb 0.37 -1.41 0.54 0.00 0.35 0.00 0.00 39.48 39.33 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 2.26 -0.32 -1.14 -2.13 -2.24 -1.26 -4.43 114.28 105.02 1r4y n THR 39 Ca 0.24 1.71 -0.05 0.00 -2.27 0.00 0.00 64.05 63.68 1r4y n THR 39 Cb 0.37 -2.78 -0.02 0.00 -2.10 0.00 0.00 70.33 65.80 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 -4.80 -5.47 0.00 3.42 5.15 -1.26 -0.98 115.26 111.32 1r4y n ASN 40 Ca 0.34 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.44 1r4y n ASN 40 Cb 1.21 -3.39 0.00 0.00 -0.53 0.00 0.00 39.78 37.07 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 0.13 2.19 3.32 8.20 0.00 -1.26 -3.61 105.19 114.15 1r4y n GLY 41 Ca -0.05 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.90 0.09 1.61 4.01 -0.15 -4.74 117.16 116.08 1r4y n TYR 42 Ca 0.00 0.19 -0.21 0.00 -0.16 0.00 0.00 57.90 57.72 1r4y n TYR 42 Cb 0.00 -1.68 -0.15 0.00 -0.31 0.00 0.00 39.34 37.20 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 -1.58 0.60 0.00 7.72 5.19 -1.86 -3.46 116.42 123.02 1r4y h ASP 43 Ca -0.45 -0.77 0.00 0.00 -0.62 0.00 0.00 57.03 55.19 1r4y h ASP 43 Cb 1.30 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1r4y h ASP 43 CO 0.33 1.63 0.00 0.61 -3.12 0.00 0.00 179.24 178.69 1r4y n GLY 44 N 1.74 0.70 1.99 2.75 0.00 -1.26 -5.02 105.19 106.08 1r4y n GLY 44 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1r4y n GLY 44 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r4y n ASP 45 N 0.00 0.00 0.00 1.61 2.03 -1.26 -2.99 116.55 115.95 1r4y n ASP 45 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1r4y n ASP 45 Cb 0.00 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 1r4y n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r4y n GLY 46 N 0.60 -1.01 4.03 0.27 0.00 -1.19 -4.01 105.19 103.87 1r4y n GLY 46 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 1r4y n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r4y s LYS 47 N -0.54 2.16 0.31 1.61 -2.85 -1.26 -3.64 119.74 115.53 1r4y s LYS 47 Ca 0.00 -1.54 0.07 0.00 -1.00 0.00 0.00 55.97 53.50 1r4y s LYS 47 Cb 0.00 -2.58 -0.03 0.00 -2.06 0.00 0.00 37.83 33.16 1r4y s LYS 47 CO 0.00 -1.00 0.27 -0.51 0.10 0.00 0.00 175.35 174.21 1r4y s LEU 48 N -4.77 3.66 0.77 2.77 1.02 -1.26 -3.80 118.68 117.07 1r4y s LEU 48 Ca 0.63 -0.43 -0.11 0.00 0.02 0.00 0.00 54.13 54.24 1r4y s LEU 48 Cb -0.06 -2.25 0.05 0.00 0.02 0.00 0.00 46.19 43.95 1r4y s LEU 48 CO 0.40 -0.27 1.08 -2.16 0.02 0.00 0.00 176.35 175.43 1r4y s PRO 49 N -3.96 2.33 -0.58 1.29 0.04 -1.26 -4.89 135.00 127.97 1r4y s PRO 49 Ca 0.39 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 61.93 1r4y s PRO 49 Cb -0.06 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1r4y s PRO 49 CO 0.26 -1.48 2.38 0.21 0.04 0.00 0.00 177.00 178.41 1r4y s LYS 50 N -5.10 1.99 0.00 4.56 2.36 -1.26 -3.27 119.74 119.02 1r4y s LYS 50 Ca 0.60 1.12 0.00 0.00 -2.55 0.00 0.00 55.97 55.14 1r4y s LYS 50 Cb -0.14 -4.64 0.00 0.00 -1.05 0.00 0.00 37.83 32.00 1r4y s LYS 50 CO 0.55 -3.57 0.00 0.41 1.55 0.00 0.00 175.35 174.29 1r4y n GLY 51 N 6.21 0.49 3.28 5.54 0.00 -1.26 -5.16 105.19 114.29 1r4y n GLY 51 Ca 0.39 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1r4y n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r4y s ARG 52 N 0.00 0.61 -0.30 1.61 1.81 -1.20 -5.14 118.95 116.34 1r4y s ARG 52 Ca 0.00 0.15 -0.03 0.00 -1.72 0.00 0.00 55.73 54.12 1r4y s ARG 52 Cb 0.00 0.28 0.10 0.00 -0.45 0.00 0.00 34.95 34.89 1r4y s ARG 52 CO 0.00 -0.14 0.13 0.99 -0.68 0.00 0.00 175.30 175.60 1r4y s THR 53 N -0.69 0.07 0.87 0.02 2.01 -1.26 -5.01 115.64 111.65 1r4y s THR 53 Ca -0.08 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 1r4y s THR 53 Cb -0.04 -1.08 0.11 0.00 0.01 0.00 0.00 72.50 71.51 1r4y s THR 53 CO 0.03 -0.75 1.11 -2.16 -0.69 0.00 0.00 174.62 172.16 1r4y s PRO 54 N 1.94 1.48 -0.09 4.92 0.04 -1.24 -4.86 135.00 137.19 1r4y s PRO 54 Ca 0.10 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 1r4y s PRO 54 Cb -0.17 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1r4y s PRO 54 CO -0.32 -2.02 1.02 0.42 0.04 0.00 0.00 177.00 176.14 1r4y s ILE 55 N -3.14 4.74 0.51 0.56 1.01 -1.26 -5.03 121.20 118.60 1r4y s ILE 55 Ca 0.63 2.01 -0.14 0.00 0.00 0.00 0.00 60.65 63.14 1r4y s ILE 55 Cb -0.16 -4.29 -0.07 0.00 0.01 0.00 0.00 42.46 37.96 1r4y s ILE 55 CO 0.55 0.02 0.94 -0.75 0.00 0.00 0.00 174.94 175.70 1r4y s LYS 56 N 1.91 3.83 0.00 2.79 2.47 -1.26 -4.97 119.74 124.51 1r4y s LYS 56 Ca 0.49 0.78 0.00 0.00 -1.56 0.00 0.00 55.97 55.68 1r4y s LYS 56 Cb -0.19 -2.19 0.00 0.00 -1.46 0.00 0.00 37.83 33.99 1r4y s LYS 56 CO 0.19 -0.27 0.00 1.19 0.16 0.00 0.00 175.35 176.63 1r4y n PHE 57 N -1.75 0.00 0.00 4.03 3.72 -1.26 -4.91 117.46 117.30 1r4y n PHE 57 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1r4y n PHE 57 Cb 0.54 0.33 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 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 1.58 1.10 3.86 1.37 0.00 -1.26 -5.11 105.19 106.73 1r4y n GLY 58 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.03 3.70 0.00 1.61 -0.14 -1.26 -4.98 119.74 118.64 1r4y s LYS 59 Ca 0.00 0.13 0.29 0.00 -1.36 0.00 0.00 55.97 55.03 1r4y s LYS 59 Cb 0.00 -3.15 1.39 0.00 -1.68 0.00 0.00 37.83 34.40 1r4y s LYS 59 CO 0.00 0.68 1.98 0.45 -0.76 0.00 0.00 175.35 177.71 1r4y n SER 60 N 1.55 0.00 -0.10 2.83 2.88 -1.26 -1.67 113.62 117.85 1r4y n SER 60 Ca -0.14 0.07 -0.17 0.00 -1.33 0.00 0.00 58.87 57.30 1r4y n SER 60 Cb 0.53 -0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 63.55 1r4y n SER 60 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1r4y n ASP 61 N -1.36 1.85 0.16 -3.46 9.92 -1.26 -2.15 116.55 120.26 1r4y n ASP 61 Ca 0.12 0.48 0.13 0.00 -0.53 0.00 0.00 54.79 54.98 1r4y n ASP 61 Cb 0.27 -0.92 0.50 0.00 -0.64 0.00 0.00 41.12 40.32 1r4y n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r4y h ASP 63 N 0.00 0.45 -2.49 0.00 3.58 -1.47 -3.48 116.42 113.01 1r4y h ASP 63 Ca 0.00 -0.74 -0.50 0.00 0.42 0.00 0.00 57.03 56.21 1r4y h ASP 63 Cb 0.49 -0.15 0.23 0.00 1.72 0.00 0.00 39.33 41.62 1r4y h ASP 63 CO 0.00 1.63 -1.22 -2.11 -2.88 0.00 0.00 179.24 174.67 1r4y n ARG 64 N -3.47 -0.75 -2.31 0.28 1.85 -0.91 -4.88 116.66 106.46 1r4y n ARG 64 Ca -0.23 -0.20 -0.42 0.00 -1.00 0.00 0.00 57.85 56.00 1r4y n ARG 64 Cb 1.06 -1.58 -0.03 0.00 -1.05 0.00 0.00 32.46 30.86 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 -3.15 4.30 0.87 2.89 0.04 -1.26 -4.98 135.00 133.71 1r4y s PRO 65 Ca 0.52 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 1r4y s PRO 65 Cb -0.13 -3.60 0.11 0.00 0.04 0.00 0.00 34.50 30.93 1r4y s PRO 65 CO 0.69 -0.55 1.11 -1.25 0.04 0.00 0.00 177.00 177.04 1r4y s PRO 66 N 2.48 1.50 -0.28 0.56 0.04 -1.24 -4.86 135.00 133.20 1r4y s PRO 66 Ca 0.61 0.49 0.01 0.00 0.04 0.00 0.00 61.00 62.14 1r4y s PRO 66 Cb -0.28 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.48 1r4y s PRO 66 CO 0.24 -1.99 0.03 0.21 0.04 0.00 0.00 177.00 175.53 1r4y s LYS 67 N -5.18 1.16 0.40 4.56 2.47 -1.26 -3.20 119.74 118.70 1r4y s LYS 67 Ca 0.63 -1.17 0.00 0.00 -1.56 0.00 0.00 55.97 53.87 1r4y s LYS 67 Cb -0.15 -2.46 -0.02 0.00 -1.46 0.00 0.00 37.83 33.74 1r4y s LYS 67 CO 0.54 -0.82 0.61 -1.58 0.16 0.00 0.00 175.35 174.26 1r4y s HIS 68 N 1.41 3.38 0.34 4.03 5.65 -1.16 -3.64 115.29 125.30 1r4y s HIS 68 Ca 0.04 0.32 -0.08 0.00 0.25 0.00 0.00 55.06 55.59 1r4y s HIS 68 Cb -0.18 -2.09 0.02 0.00 -1.18 0.00 0.00 32.58 29.14 1r4y s HIS 68 CO -0.14 -0.10 0.57 -1.12 -0.65 0.00 0.00 174.74 173.30 1r4y s SER 69 N -4.12 0.45 -1.37 9.88 0.01 -1.26 -4.65 113.70 112.64 1r4y s SER 69 Ca 0.44 -1.27 -0.08 0.00 1.31 0.00 0.00 55.95 56.36 1r4y s SER 69 Cb -0.10 0.70 0.09 0.00 0.21 0.00 0.00 66.02 66.93 1r4y s SER 69 CO 0.37 -1.38 2.35 0.29 0.41 0.00 0.00 173.24 175.29 1r4y n LYS 70 N -0.52 4.12 0.00 12.44 5.02 -1.26 -3.66 118.16 134.29 1r4y n LYS 70 Ca -0.02 -3.22 0.00 0.00 -2.02 0.00 0.00 58.31 53.05 1r4y n LYS 70 Cb 0.61 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 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 2.80 0.00 0.00 4.39 2.03 -1.26 -5.04 116.55 119.47 1r4y n ASP 71 Ca 0.59 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.90 1r4y n ASP 71 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.57 2.53 2.82 0.27 0.00 -1.24 -4.66 105.19 104.33 1r4y n GLY 72 Ca 0.00 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 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 4.26 0.00 1.61 0.23 -1.26 -4.53 115.26 115.57 1r4y n ASN 73 Ca 0.00 -3.62 0.00 0.00 -0.53 0.00 0.00 54.58 50.43 1r4y n ASN 73 Cb 0.00 -0.58 0.00 0.00 -2.08 0.00 0.00 39.78 37.12 1r4y n ASN 73 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r4y n GLY 74 N -0.01 -1.80 0.00 4.83 0.00 -1.26 -4.85 105.19 102.09 1r4y n GLY 74 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.42 1.61 5.02 -1.26 -4.77 118.16 118.35 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 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.26 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 0.00 1.91 -0.70 -0.18 5.66 -1.26 -5.02 114.28 114.69 1r4y n THR 76 Ca 0.00 -1.53 -0.22 0.00 -3.05 0.00 0.00 64.05 59.25 1r4y n THR 76 Cb 0.00 -0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 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 0.02 0.19 -1.40 1.09 9.92 -1.26 -4.72 116.55 120.38 1r4y n ASP 77 Ca 0.19 0.14 -0.07 0.00 -0.53 0.00 0.00 54.79 54.52 1r4y n ASP 77 Cb 0.78 -0.45 0.09 0.00 -0.64 0.00 0.00 41.12 40.90 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 4.78 1.14 -0.63 1.24 1.44 -1.26 -4.68 115.22 117.25 1r4y n HIS 78 Ca 0.31 -0.89 -0.31 0.00 -2.01 0.00 0.00 57.72 54.81 1r4y n HIS 78 Cb 0.01 -0.48 0.19 0.00 0.12 0.00 0.00 29.99 29.83 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 -0.08 -1.32 -3.79 -1.40 4.11 -1.24 -4.08 117.16 109.36 1r4y n TYR 79 Ca 0.21 0.07 -0.24 0.00 -0.00 0.00 0.00 57.90 57.95 1r4y n TYR 79 Cb 0.90 -1.64 -0.02 0.00 -0.00 0.00 0.00 39.34 38.58 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 -3.02 4.24 -0.04 -3.48 1.43 -1.26 -1.64 118.68 114.91 1r4y s LEU 80 Ca 0.60 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.91 1r4y s LEU 80 Cb -0.17 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 43.07 1r4y s LEU 80 CO 0.66 -0.09 0.09 -0.76 0.23 0.00 0.00 176.35 176.48 1r4y s LEU 81 N -3.79 0.95 0.08 1.79 1.02 -0.75 0.59 118.68 118.56 1r4y s LEU 81 Ca 0.36 0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.69 1r4y s LEU 81 Cb -0.10 0.16 -0.04 0.00 0.02 0.00 0.00 46.19 46.23 1r4y s LEU 81 CO 0.30 -0.13 0.23 -1.83 0.02 0.00 0.00 176.35 174.94 1r4y s GLU 82 N 1.06 3.44 -0.06 1.70 1.03 -0.56 -3.17 118.70 122.14 1r4y s GLU 82 Ca -0.08 -0.47 -0.03 0.00 0.03 0.00 0.00 54.97 54.42 1r4y s GLU 82 Cb -0.11 -3.02 0.04 0.00 -0.80 0.00 0.00 34.13 30.23 1r4y s GLU 82 CO -0.04 0.59 0.12 0.12 -1.33 0.00 0.00 175.26 174.71 1r4y s PHE 83 N -1.56 -0.08 -0.34 4.83 5.36 -0.75 -2.78 117.98 122.66 1r4y s PHE 83 Ca 0.35 0.45 -0.29 0.00 -0.96 0.00 0.00 56.93 56.49 1r4y s PHE 83 Cb -0.13 -0.33 -0.00 0.00 -0.34 0.00 0.00 43.02 42.22 1r4y s PHE 83 CO 0.28 -0.23 1.50 -1.25 -1.46 0.00 0.00 175.22 174.06 1r4y s PRO 84 N 2.13 3.63 -0.19 10.12 0.04 -1.26 -0.63 135.00 148.83 1r4y s PRO 84 Ca 0.03 1.21 -0.05 0.00 0.04 0.00 0.00 61.00 62.23 1r4y s PRO 84 Cb -0.12 -4.03 -0.02 0.00 0.04 0.00 0.00 34.50 30.36 1r4y s PRO 84 CO -0.05 -1.50 -0.01 -0.08 0.04 0.00 0.00 177.00 175.41 1r4y s THR 85 N 5.48 3.95 0.48 1.26 -1.32 -1.00 -4.83 115.64 119.67 1r4y s THR 85 Ca 0.66 -0.32 -0.13 0.00 -1.21 0.00 0.00 61.69 60.69 1r4y s THR 85 Cb -0.18 -2.78 -0.06 0.00 -1.51 0.00 0.00 72.50 67.97 1r4y s THR 85 CO 0.31 0.44 0.89 -0.36 -2.21 0.00 0.00 174.62 173.69 1r4y s PHE 86 N 0.89 3.49 0.02 9.09 0.08 -1.26 -4.69 117.98 125.60 1r4y s PHE 86 Ca 0.01 1.23 -0.18 0.00 0.12 0.00 0.00 56.93 58.12 1r4y s PHE 86 Cb -0.14 -2.61 -0.28 0.00 -0.57 0.00 0.00 43.02 39.42 1r4y s PHE 86 CO 0.02 -0.31 1.06 -1.00 -0.10 0.00 0.00 175.22 174.89 1r4y h PRO 87 N 0.83 0.51 -1.62 0.24 0.13 -1.93 -3.19 132.00 126.96 1r4y h PRO 87 Ca -0.47 -0.66 0.47 0.00 -0.87 0.00 0.00 66.00 64.48 1r4y h PRO 87 Cb 1.19 0.22 -0.08 0.00 0.13 0.00 0.00 31.00 32.46 1r4y h PRO 87 CO 0.62 1.28 1.15 -0.44 -0.23 0.00 0.00 178.00 180.38 1r4y h ASP 88 N 0.05 0.04 0.00 1.44 5.19 -1.95 -3.44 116.42 117.74 1r4y h ASP 88 Ca -0.15 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 1r4y h ASP 88 Cb 1.69 0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.21 1r4y h ASP 88 CO 0.19 -0.02 0.00 0.61 -3.12 0.00 0.00 179.24 176.90 1r4y n GLY 89 N -1.82 0.88 3.70 2.75 0.00 -1.21 -5.04 105.19 104.46 1r4y n GLY 89 Ca 0.37 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 1r4y n GLY 89 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1r4y n HIS 90 N -2.00 2.58 -2.00 1.61 1.44 -1.26 -4.87 115.22 110.72 1r4y n HIS 90 Ca 0.00 0.07 -0.39 0.00 -2.01 0.00 0.00 57.72 55.39 1r4y n HIS 90 Cb 0.00 -2.65 -0.03 0.00 0.12 0.00 0.00 29.99 27.43 1r4y n HIS 90 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1r4y s ASP 91 N 1.49 5.31 0.12 4.39 2.15 -1.26 -4.59 116.67 124.28 1r4y s ASP 91 Ca 0.78 0.53 -0.21 0.00 0.43 0.00 0.00 52.55 54.07 1r4y s ASP 91 Cb -0.56 -2.53 -0.12 0.00 -0.30 0.00 0.00 42.92 39.41 1r4y s ASP 91 CO 0.35 -2.31 0.43 0.00 -0.17 0.00 0.00 175.17 173.48 1r4y n TYR 92 N 12.60 -0.22 -1.25 -5.34 9.36 -1.26 -4.75 117.16 126.31 1r4y n TYR 92 Ca 0.22 0.70 -0.37 0.00 3.32 0.00 0.00 57.90 61.77 1r4y n TYR 92 Cb 0.52 -1.41 -0.03 0.00 -0.63 0.00 0.00 39.34 37.78 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 0.77 3.51 0.00 2.98 2.85 -1.26 -4.53 118.16 122.48 1r4y n LYS 93 Ca 0.13 -2.11 0.10 0.00 -1.05 0.00 0.00 58.31 55.38 1r4y n LYS 93 Cb 0.16 -2.76 0.61 0.00 -0.65 0.00 0.00 35.03 32.39 1r4y n LYS 93 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1r4y n PHE 94 N 3.67 0.00 -0.07 5.58 1.16 -1.26 -3.08 117.46 123.46 1r4y n PHE 94 Ca 0.75 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 56.14 1r4y n PHE 94 Cb 0.22 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.96 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 -0.92 1.84 -4.59 5.98 -0.08 -1.26 -2.29 116.55 115.23 1r4y n ASP 95 Ca 0.15 0.03 -0.43 0.00 -1.51 0.00 0.00 54.79 53.04 1r4y n ASP 95 Cb 0.07 -0.47 -0.02 0.00 2.34 0.00 0.00 41.12 43.04 1r4y n ASP 95 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1r4y s SER 96 N -6.63 6.61 0.11 1.67 0.15 -1.18 -3.36 113.70 111.07 1r4y s SER 96 Ca -0.27 0.41 -0.22 0.00 0.70 0.00 0.00 55.95 56.57 1r4y s SER 96 Cb 0.08 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.76 1r4y s SER 96 CO 0.69 -1.23 1.72 0.07 1.20 0.00 0.00 173.24 175.69 1r4y h LYS 97 N 9.21 -0.03 -2.99 5.44 2.10 -1.86 -3.32 116.57 125.11 1r4y h LYS 97 Ca -0.23 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.22 1r4y h LYS 97 Cb 1.06 0.01 -0.31 0.00 -0.90 0.00 0.00 32.23 32.09 1r4y h LYS 97 CO 1.11 -0.02 -0.50 0.15 -2.00 0.00 0.00 179.45 178.19 1r4y s LYS 98 N -6.19 0.19 1.13 0.07 -0.14 -1.26 -4.04 119.74 109.50 1r4y s LYS 98 Ca -0.13 0.58 -0.18 0.00 -1.36 0.00 0.00 55.97 54.87 1r4y s LYS 98 Cb 0.08 -0.11 0.26 0.00 -1.68 0.00 0.00 37.83 36.38 1r4y s LYS 98 CO 0.67 -0.19 1.18 -1.25 -0.76 0.00 0.00 175.35 175.00 1r4y s PRO 99 N 1.55 -0.66 -0.04 -1.68 0.04 -1.26 -5.18 135.00 127.76 1r4y s PRO 99 Ca -0.07 -0.19 -0.02 0.00 0.04 0.00 0.00 61.00 60.77 1r4y s PRO 99 Cb -0.11 -1.67 0.03 0.00 0.04 0.00 0.00 34.50 32.79 1r4y s PRO 99 CO -0.08 -3.32 0.09 -1.59 0.04 0.00 0.00 177.00 172.14 1r4y s LYS 100 N -5.57 0.05 0.40 4.56 -2.85 -1.26 -4.72 119.74 110.35 1r4y s LYS 100 Ca 0.72 0.25 -0.25 0.00 -1.00 0.00 0.00 55.97 55.69 1r4y s LYS 100 Cb -0.08 -0.15 -0.09 0.00 -2.06 0.00 0.00 37.83 35.46 1r4y s LYS 100 CO 0.55 -0.13 1.11 -2.00 0.10 0.00 0.00 175.35 174.98 1r4y s GLU 101 N 0.87 4.09 0.84 1.78 2.12 -1.26 -4.98 118.70 122.16 1r4y s GLU 101 Ca -0.07 1.68 -0.17 0.00 0.36 0.00 0.00 54.97 56.78 1r4y s GLU 101 Cb -0.09 -2.61 -0.12 0.00 0.26 0.00 0.00 34.13 31.57 1r4y s GLU 101 CO -0.04 -0.25 -0.40 0.09 -0.54 0.00 0.00 175.26 174.12 1r4y n ASN 102 N -0.01 -4.65 -3.06 -1.70 4.13 -1.26 -4.97 115.26 103.75 1r4y n ASN 102 Ca 0.05 0.35 0.00 0.00 1.68 0.00 0.00 54.58 56.66 1r4y n ASN 102 Cb 0.48 -0.86 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 1r4y n ASN 102 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1r4y n PRO 103 N 1.59 0.45 -4.03 3.52 -0.04 -1.26 -5.05 135.00 130.17 1r4y n PRO 103 Ca 0.02 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 1r4y n PRO 103 Cb 0.53 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.51 0.35 -0.02 0.55 0.00 -1.26 -5.07 107.32 100.36 1r4y s GLY 104 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 43.83 1r4y s GLY 104 CO 0.00 -0.95 0.27 -0.56 0.00 0.00 0.00 173.10 171.86 1r4y h PRO 105 N 3.99 -0.10 -6.73 2.90 0.13 -1.93 -3.45 132.00 126.81 1r4y h PRO 105 Ca -0.33 0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.29 1r4y h PRO 105 Cb 1.18 0.02 0.04 0.00 0.13 0.00 0.00 31.00 32.37 1r4y h PRO 105 CO 0.52 -0.07 0.64 0.00 -0.23 0.00 0.00 178.00 178.86 1r4y s ALA 106 N -3.11 3.52 0.00 -0.56 0.00 -1.26 -4.25 121.76 116.11 1r4y s ALA 106 Ca -0.02 1.13 -0.02 0.00 0.00 0.00 0.00 51.96 53.06 1r4y s ALA 106 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1r4y s ALA 106 CO 0.05 -0.54 0.03 1.03 0.00 0.00 0.00 175.76 176.33 1r4y s ARG 107 N -0.50 0.24 -0.06 0.00 0.52 -0.00 -2.37 118.95 116.78 1r4y s ARG 107 Ca 0.55 -0.30 -0.26 0.00 -0.52 0.00 0.00 55.73 55.19 1r4y s ARG 107 Cb -0.37 0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.16 1r4y s ARG 107 CO 0.41 -0.05 0.83 0.54 0.02 0.00 0.00 175.30 177.06 1r4y s VAL 108 N -0.86 4.95 -0.03 3.52 0.11 0.20 -1.36 120.40 126.93 1r4y s VAL 108 Ca -0.09 1.72 0.00 0.00 -2.93 0.00 0.00 61.98 60.68 1r4y s VAL 108 Cb -0.06 -4.17 -0.03 0.00 -1.53 0.00 0.00 36.38 30.59 1r4y s VAL 108 CO -0.00 0.18 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.31 1r4y s ILE 109 N 1.12 4.15 -0.07 7.04 -1.09 -0.69 -1.80 121.20 129.86 1r4y s ILE 109 Ca 0.43 -0.49 -0.29 0.00 -2.23 0.00 0.00 60.65 58.07 1r4y s ILE 109 Cb -0.19 -2.80 0.11 0.00 -1.58 0.00 0.00 42.46 38.00 1r4y s ILE 109 CO 0.21 0.47 0.91 -0.72 -1.23 0.00 0.00 174.94 174.57 1r4y s TYR 110 N -1.00 -0.38 0.48 3.97 -0.85 -1.19 0.43 117.35 118.81 1r4y s TYR 110 Ca 0.17 0.45 -0.01 0.00 -0.52 0.00 0.00 57.07 57.16 1r4y s TYR 110 Cb -0.11 0.49 0.00 0.00 0.38 0.00 0.00 41.96 42.72 1r4y s TYR 110 CO 0.07 -0.48 0.72 0.95 -1.52 0.00 0.00 175.55 175.29 1r4y s THR 111 N -2.21 3.88 0.17 -3.49 -4.23 -1.23 -1.81 115.64 106.73 1r4y s THR 111 Ca 0.01 -0.40 0.08 0.00 -1.18 0.00 0.00 61.69 60.20 1r4y s THR 111 Cb -0.01 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1r4y s THR 111 CO -0.03 -0.35 -0.03 -0.47 -0.54 0.00 0.00 174.62 173.19 1r4y s TYR 112 N -2.65 2.78 -0.07 3.99 6.14 -0.65 -3.16 117.35 123.73 1r4y s TYR 112 Ca 0.50 -0.16 -0.21 0.00 0.64 0.00 0.00 57.07 57.84 1r4y s TYR 112 Cb -0.10 -1.35 -0.16 0.00 0.42 0.00 0.00 41.96 40.76 1r4y s TYR 112 CO 0.39 0.51 0.79 -1.00 0.64 0.00 0.00 175.55 176.89 1r4y h PRO 113 N 2.80 -0.15 -6.01 4.97 0.13 -1.86 -3.37 132.00 128.52 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 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1r4y h PRO 113 CO 0.57 0.34 1.26 -1.71 -0.23 0.00 0.00 178.00 178.22 1r4y n ASN 114 N -4.86 1.20 -4.20 1.44 2.85 -1.26 -4.68 115.26 105.75 1r4y n ASN 114 Ca -0.07 0.69 -0.28 0.00 -0.11 0.00 0.00 54.58 54.81 1r4y n ASN 114 Cb 0.27 -0.99 -0.10 0.00 1.24 0.00 0.00 39.78 40.20 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 7.21 0.52 -1.66 1.20 5.02 -1.21 -4.27 118.16 124.97 1r4y n LYS 115 Ca 0.48 -1.70 -0.42 0.00 -2.02 0.00 0.00 58.31 54.66 1r4y n LYS 115 Cb 0.03 -3.43 -0.02 0.00 -0.02 0.00 0.00 35.03 31.59 1r4y n LYS 115 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r4y n VAL 116 N 7.98 2.99 -1.00 -0.18 0.31 -1.19 -4.81 118.33 122.43 1r4y n VAL 116 Ca 0.44 -2.68 -0.47 0.00 -0.01 0.00 0.00 64.34 61.62 1r4y n VAL 116 Cb 0.45 -2.49 -0.09 0.00 -0.91 0.00 0.00 33.84 30.80 1r4y n VAL 116 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1r4y n PHE 117 N 6.99 0.93 0.01 3.52 7.35 -1.26 -3.46 117.46 131.53 1r4y n PHE 117 Ca 0.51 0.62 -0.20 0.00 -0.76 0.00 0.00 57.45 57.62 1r4y n PHE 117 Cb 0.40 -1.79 -0.14 0.00 0.35 0.00 0.00 39.48 38.31 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 1.67 -0.53 3.11 0.00 0.00 -1.21 -4.92 105.19 103.30 1r4y n GLY 119 Ca -0.18 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 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 1.26 0.15 -0.61 -1.09 -1.26 -1.71 121.20 113.95 1r4y s ILE 120 Ca 0.00 -0.64 0.07 0.00 -2.23 0.00 0.00 60.65 57.85 1r4y s ILE 120 Cb 0.00 -1.08 -0.04 0.00 -1.58 0.00 0.00 42.46 39.76 1r4y s ILE 120 CO 0.00 0.37 -0.15 0.27 -1.23 0.00 0.00 174.94 174.19 1r4y s ILE 121 N -0.07 1.58 -0.25 2.92 -4.36 -0.47 0.84 121.20 121.39 1r4y s ILE 121 Ca -0.00 -1.90 -0.28 0.00 -0.26 0.00 0.00 60.65 58.21 1r4y s ILE 121 Cb -0.09 -1.76 0.16 0.00 1.25 0.00 0.00 42.46 42.02 1r4y s ILE 121 CO 0.01 -0.43 1.21 0.00 0.24 0.00 0.00 174.94 175.98 1r4y s ALA 122 N -2.31 -2.06 -0.82 2.27 0.00 -0.59 -0.82 121.76 117.42 1r4y s ALA 122 Ca 0.14 1.75 -0.19 0.00 0.00 0.00 0.00 51.96 53.66 1r4y s ALA 122 Cb -0.04 -1.33 0.12 0.00 0.00 0.00 0.00 23.12 21.86 1r4y s ALA 122 CO 0.05 -0.23 1.02 -1.01 0.00 0.00 0.00 175.76 175.59 1r4y s HIS 123 N -0.58 3.03 -0.72 0.00 0.09 -1.26 -3.03 115.29 112.83 1r4y s HIS 123 Ca 0.04 -1.17 -0.01 0.00 -0.00 0.00 0.00 55.06 53.92 1r4y s HIS 123 Cb -0.02 -4.23 0.40 0.00 -0.00 0.00 0.00 32.58 28.72 1r4y s HIS 123 CO -0.07 -1.48 1.89 0.25 -0.00 0.00 0.00 174.74 175.34 1r4y n THR 124 N 5.52 3.43 -0.03 1.30 -2.24 -1.26 -4.26 114.28 116.75 1r4y n THR 124 Ca 0.13 -3.92 0.02 0.00 -2.27 0.00 0.00 64.05 58.01 1r4y n THR 124 Cb 0.47 -1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 67.39 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 -0.67 1.01 0.04 -0.78 3.00 -1.26 -5.02 118.16 114.49 1r4y n LYS 125 Ca 0.55 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.78 1r4y n LYS 125 Cb 0.45 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.18 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 -2.12 0.00 0.00 1.64 0.00 -1.26 -5.02 120.64 113.87 1r4y n GLU 126 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.07 1r4y n GLU 126 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.98 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 -2.60 0.00 -2.77 4.31 5.15 -1.26 -5.04 115.26 113.05 1r4y n ASN 127 Ca 0.00 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.92 1r4y n ASN 127 Cb 0.00 0.23 0.02 0.00 -0.53 0.00 0.00 39.78 39.50 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 -4.84 117.38 117.01 1r4y n GLN 128 Ca 0.00 -1.97 0.00 0.00 -0.01 0.00 0.00 57.00 55.02 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 2.54 1.71 3.78 1.08 0.00 -1.26 -5.10 105.19 107.93 1r4y n GLY 129 Ca 0.15 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 1.43 4.41 -0.10 1.61 2.02 -1.26 -4.98 118.70 121.83 1r4y s GLU 130 Ca 0.00 1.42 -0.01 0.00 0.02 0.00 0.00 54.97 56.41 1r4y s GLU 130 Cb 0.00 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 1r4y s GLU 130 CO 0.00 0.09 -0.05 -1.17 0.02 0.00 0.00 175.26 174.15 1r4y s LEU 131 N -2.30 3.22 0.24 1.80 2.96 -1.26 -4.02 118.68 119.32 1r4y s LEU 131 Ca 0.53 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.38 1r4y s LEU 131 Cb -0.20 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1r4y s LEU 131 CO 0.26 0.30 0.24 -1.59 -1.32 0.00 0.00 176.35 174.25 1r4y s LYS 132 N -0.45 1.39 0.15 1.98 -2.85 -1.17 -4.88 119.74 113.92 1r4y s LYS 132 Ca 0.07 -1.61 -0.18 0.00 -1.00 0.00 0.00 55.97 53.25 1r4y s LYS 132 Cb -0.12 0.33 -0.07 0.00 -2.06 0.00 0.00 37.83 35.91 1r4y s LYS 132 CO 0.02 -0.50 0.63 -1.17 0.10 0.00 0.00 175.35 174.42 1r4y s LEU 133 N -3.16 4.40 0.00 2.77 2.96 -1.26 -1.55 118.68 122.84 1r4y s LEU 133 Ca 0.35 1.27 -0.05 0.00 -0.22 0.00 0.00 54.13 55.48 1r4y s LEU 133 Cb 0.04 -3.28 0.08 0.00 0.50 0.00 0.00 46.19 43.54 1r4y s LEU 133 CO 0.14 0.13 0.21 0.00 -1.32 0.00 0.00 176.35 175.50 1r4y s SER 135 N -2.23 3.56 0.00 0.00 0.01 -0.96 -4.93 113.70 109.15 1r4y s SER 135 Ca 0.15 -2.26 0.23 0.00 1.31 0.00 0.00 55.95 55.39 1r4y s SER 135 Cb -0.02 -0.82 0.18 0.00 0.21 0.00 0.00 66.02 65.57 1r4y s SER 135 CO 0.13 -0.32 1.23 0.00 0.41 0.00 0.00 173.24 174.69