#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 4.52 -0.36 0.00 0.11 -1.26 -4.83 120.40 118.59 1r4y s VAL 2 Ca 0.00 1.29 -0.23 0.00 -2.93 0.00 0.00 61.98 60.12 1r4y s VAL 2 Cb 0.00 -3.78 0.01 0.00 -1.53 0.00 0.00 36.38 31.08 1r4y s VAL 2 CO 0.00 0.02 0.76 -0.89 -3.33 0.00 0.00 175.10 171.66 1r4y s THR 3 N -1.75 4.76 0.33 5.04 2.01 -1.26 -2.27 115.64 122.51 1r4y s THR 3 Ca 0.50 0.83 -0.26 0.00 0.31 0.00 0.00 61.69 63.07 1r4y s THR 3 Cb -0.14 -4.18 -0.10 0.00 0.01 0.00 0.00 72.50 68.09 1r4y s THR 3 CO 0.19 -0.41 0.97 0.26 -0.69 0.00 0.00 174.62 174.94 1r4y s TRP 4 N 3.02 3.63 -0.02 4.92 0.52 0.68 -4.48 118.94 127.22 1r4y s TRP 4 Ca 0.30 1.76 0.00 0.00 0.02 0.00 0.00 56.10 58.19 1r4y s TRP 4 Cb -0.13 -2.97 0.02 0.00 -1.15 0.00 0.00 33.47 29.23 1r4y s TRP 4 CO 0.16 0.05 -0.00 0.99 0.02 0.00 0.00 176.95 178.17 1r4y s THR 5 N -1.59 0.11 0.00 2.01 2.01 -1.26 0.38 115.64 117.30 1r4y s THR 5 Ca 0.51 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1r4y s THR 5 Cb -0.20 -0.17 0.00 0.00 0.01 0.00 0.00 72.50 72.14 1r4y s THR 5 CO 0.25 0.09 0.00 0.00 -0.69 0.00 0.00 174.62 174.27 1r4y n GLY 7 N 4.31 4.26 2.22 0.00 0.00 -1.26 -4.63 105.19 110.10 1r4y n GLY 7 Ca 0.00 -2.24 -0.06 0.00 0.00 0.00 0.00 46.02 43.72 1r4y n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r4y n GLY 8 N 2.99 -0.23 3.18 -0.02 0.00 -1.26 -4.91 105.19 104.94 1r4y n GLY 8 Ca 0.34 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.69 2.26 0.15 0.99 1.43 -1.26 -5.15 118.68 112.41 1r4y s LEU 9 Ca 0.00 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1r4y s LEU 9 Cb 0.00 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.61 1r4y s LEU 9 CO 0.00 -0.04 0.28 -0.76 0.23 0.00 0.00 176.35 176.06 1r4y s LEU 10 N -1.64 4.30 -0.45 1.79 2.01 -1.26 -2.93 118.68 120.50 1r4y s LEU 10 Ca -0.00 0.14 0.07 0.00 0.01 0.00 0.00 54.13 54.35 1r4y s LEU 10 Cb -0.10 -2.87 0.18 0.00 0.01 0.00 0.00 46.19 43.41 1r4y s LEU 10 CO 0.02 0.05 0.64 -0.31 1.01 0.00 0.00 176.35 177.76 1r4y s TYR 11 N -1.75 -1.53 0.04 0.29 2.02 0.16 -3.69 117.35 112.88 1r4y s TYR 11 Ca 0.34 -0.19 -0.34 0.00 -0.37 0.00 0.00 57.07 56.51 1r4y s TYR 11 Cb -0.11 0.24 -0.13 0.00 -0.40 0.00 0.00 41.96 41.56 1r4y s TYR 11 CO 0.28 -1.19 1.72 -1.71 -1.57 0.00 0.00 175.55 173.07 1r4y n ASN 12 N 3.82 3.22 -0.30 2.29 5.15 -1.26 -0.23 115.26 127.95 1r4y n ASN 12 Ca 0.14 1.03 0.23 0.00 -0.60 0.00 0.00 54.58 55.39 1r4y n ASN 12 Cb 0.56 -1.39 0.54 0.00 -0.53 0.00 0.00 39.78 38.96 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 7.46 0.33 -0.48 1.20 4.15 -1.77 0.57 115.11 126.56 1r4y h GLN 13 Ca -0.47 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 58.93 1r4y h GLN 13 Cb 1.26 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 1r4y h GLN 13 CO 0.91 0.22 0.28 -0.97 -1.93 0.00 0.00 178.83 177.34 1r4y h ASN 14 N 0.34 0.58 -0.16 -0.69 -0.73 -1.87 0.26 115.58 113.31 1r4y h ASN 14 Ca 0.55 -0.07 -0.15 0.00 1.87 0.00 0.00 56.30 58.51 1r4y h ASN 14 Cb 1.51 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.96 1r4y h ASN 14 CO -0.22 0.48 -0.48 0.11 -0.37 0.00 0.00 177.43 176.95 1r4y h LYS 15 N 0.64 0.60 -1.00 6.67 1.57 -0.59 0.56 116.57 125.02 1r4y h LYS 15 Ca 0.17 -0.44 0.17 0.00 -1.87 0.00 0.00 60.65 58.69 1r4y h LYS 15 Cb 0.01 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.29 1r4y h LYS 15 CO -0.03 1.06 0.62 0.00 -0.57 0.00 0.00 179.45 180.52 1r4y h ALA 16 N 0.55 1.65 0.04 3.86 0.00 0.14 0.79 119.26 126.29 1r4y h ALA 16 Ca -0.01 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1r4y h ALA 16 Cb 1.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1r4y h ALA 16 CO 0.10 0.01 -0.96 1.05 0.00 0.00 0.00 179.25 179.45 1r4y h GLU 17 N 0.81 0.08 0.75 0.00 4.11 -0.97 -3.32 114.58 116.04 1r4y h GLU 17 Ca 0.56 -0.14 -0.04 0.00 0.07 0.00 0.00 59.36 59.81 1r4y h GLU 17 Cb 0.81 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.12 1r4y h GLU 17 CO -0.35 1.07 -0.36 1.03 0.07 0.00 0.00 179.01 180.47 1r4y h SER 18 N -0.77 -0.85 -0.90 3.06 0.87 0.68 0.70 113.55 116.33 1r4y h SER 18 Ca -0.24 0.02 0.37 0.00 -1.23 0.00 0.00 61.79 60.71 1r4y h SER 18 Cb 1.37 0.22 -0.16 0.00 -0.44 0.00 0.00 62.40 63.39 1r4y h SER 18 CO -0.06 -0.49 0.45 -3.20 -0.53 0.00 0.00 176.83 172.99 1r4y n ASN 19 N -5.45 0.28 0.11 6.23 4.05 0.27 0.59 115.26 121.33 1r4y n ASN 19 Ca -0.13 1.50 -0.20 0.00 0.45 0.00 0.00 54.58 56.20 1r4y n ASN 19 Cb 0.40 -0.72 -0.13 0.00 1.23 0.00 0.00 39.78 40.57 1r4y n ASN 19 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1r4y h SER 20 N 0.00 0.72 -1.26 1.20 4.64 -1.45 -3.29 113.55 114.12 1r4y h SER 20 Ca 0.75 -0.70 0.40 0.00 -0.47 0.00 0.00 61.79 61.77 1r4y h SER 20 Cb 1.96 -0.23 -0.12 0.00 -0.31 0.00 0.00 62.40 63.70 1r4y h SER 20 CO -0.71 1.53 0.81 0.45 -0.87 0.00 0.00 176.83 178.04 1r4y h HIS 21 N 0.19 0.55 0.05 4.77 3.86 0.59 0.21 115.15 125.37 1r4y h HIS 21 Ca -0.18 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1r4y h HIS 21 Cb 1.95 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 30.28 1r4y h HIS 21 CO 0.10 -0.15 -0.03 0.45 0.86 0.00 0.00 177.93 179.16 1r4y h HIS 22 N 0.15 -0.07 -0.88 2.45 3.86 -1.59 -3.46 115.15 115.61 1r4y h HIS 22 Ca 0.77 -0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 59.25 1r4y h HIS 22 Cb 2.34 0.02 0.03 0.00 1.06 0.00 0.00 27.41 30.87 1r4y h HIS 22 CO -0.00 0.55 0.27 0.00 0.86 0.00 0.00 177.93 179.61 1r4y n ALA 23 N -2.53 -2.46 -2.24 2.45 0.00 0.72 -4.85 120.51 111.60 1r4y n ALA 23 Ca -0.08 0.49 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 1r4y n ALA 23 Cb 0.32 -1.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 1r4y n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1r4y s PRO 24 N 1.03 4.45 -0.16 0.00 0.04 -1.26 -4.93 135.00 134.17 1r4y s PRO 24 Ca 0.85 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 63.44 1r4y s PRO 24 Cb -1.20 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 29.99 1r4y s PRO 24 CO 0.59 -0.20 2.17 -0.11 0.04 0.00 0.00 177.00 179.49 1r4y n LEU 25 N 3.32 3.46 0.00 -3.56 7.94 -1.26 -4.77 117.00 122.13 1r4y n LEU 25 Ca 0.07 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1r4y n LEU 25 Cb 0.45 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.86 1r4y n LEU 25 CO 0.56 -0.48 0.00 -1.20 -1.11 0.00 0.00 177.39 175.16 1r4y n SER 26 N 10.72 0.00 -4.43 1.96 7.64 -1.26 -5.01 113.62 123.24 1r4y n SER 26 Ca 0.28 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.72 1r4y n SER 26 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1r4y n SER 26 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1r4y n ASP 27 N 0.00 5.10 -2.32 6.43 2.03 -1.26 -4.37 116.55 122.16 1r4y n ASP 27 Ca 0.00 -2.97 -0.03 0.00 0.52 0.00 0.00 54.79 52.31 1r4y n ASP 27 Cb 0.00 -1.61 0.00 0.00 -0.72 0.00 0.00 41.12 38.79 1r4y n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r4y n GLY 28 N 4.33 -0.99 2.73 0.27 0.00 -1.02 -4.53 105.19 105.98 1r4y n GLY 28 Ca 0.41 0.54 -0.02 0.00 0.00 0.00 0.00 46.02 46.95 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 -0.71 1.49 -4.44 1.61 5.02 -1.25 -5.02 118.16 114.86 1r4y n LYS 29 Ca 0.05 -2.13 -0.23 0.00 -2.02 0.00 0.00 58.31 53.98 1r4y n LYS 29 Cb 0.34 -0.38 -0.10 0.00 -0.02 0.00 0.00 35.03 34.87 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 -1.40 2.31 0.00 -0.18 -4.23 -1.25 -5.05 115.64 105.84 1r4y s THR 30 Ca 0.17 -2.31 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1r4y s THR 30 Cb 0.40 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1r4y s THR 30 CO -0.09 -0.40 0.54 0.61 -0.54 0.00 0.00 174.62 174.74 1r4y n GLY 31 N -0.43 -3.15 0.40 3.99 0.00 0.90 -2.29 105.19 104.61 1r4y n GLY 31 Ca -0.07 0.66 -0.15 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.06 0.00 1.61 0.87 -1.54 -3.27 113.55 110.16 1r4y h SER 32 Ca 0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1r4y h SER 32 Cb 0.00 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1r4y h SER 32 CO 0.00 -0.51 0.00 -1.20 -0.53 0.00 0.00 176.83 174.59 1r4y n SER 33 N -5.47 0.00 -4.77 6.23 7.64 -0.97 -4.93 113.62 111.35 1r4y n SER 33 Ca -0.09 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.42 1r4y n SER 33 Cb 0.38 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.57 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 2.81 1.05 1.43 2.02 -1.26 -3.84 117.35 119.55 1r4y s TYR 34 Ca 0.00 1.54 -0.18 0.00 -0.37 0.00 0.00 57.07 58.06 1r4y s TYR 34 Cb 0.00 -3.36 0.24 0.00 -0.40 0.00 0.00 41.96 38.44 1r4y s TYR 34 CO 0.00 -1.55 1.29 -1.25 -1.57 0.00 0.00 175.55 172.47 1r4y s PRO 35 N -2.86 -0.07 0.23 -1.71 0.04 -1.26 -4.69 135.00 124.68 1r4y s PRO 35 Ca 0.66 -0.41 -0.16 0.00 0.04 0.00 0.00 61.00 61.13 1r4y s PRO 35 Cb -0.28 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1r4y s PRO 35 CO 0.33 -2.89 0.52 -3.38 0.04 0.00 0.00 177.00 171.62 1r4y s HIS 36 N -3.71 0.09 0.69 0.56 -3.43 -0.97 -2.43 115.29 106.09 1r4y s HIS 36 Ca 0.75 -0.46 -0.16 0.00 -0.80 0.00 0.00 55.06 54.38 1r4y s HIS 36 Cb -0.04 0.33 0.02 0.00 -1.43 0.00 0.00 32.58 31.46 1r4y s HIS 36 CO 0.54 -0.98 1.24 -0.46 -2.00 0.00 0.00 174.74 173.08 1r4y s TRP 37 N -3.94 2.07 -0.56 0.38 -0.00 -1.26 -1.49 118.94 114.14 1r4y s TRP 37 Ca 0.15 1.55 0.04 0.00 -0.00 0.00 0.00 56.10 57.84 1r4y s TRP 37 Cb -0.01 -3.56 0.15 0.00 -0.00 0.00 0.00 33.47 30.05 1r4y s TRP 37 CO 0.03 -2.71 0.36 0.12 -0.00 0.00 0.00 176.95 174.76 1r4y s PHE 38 N -1.73 2.75 0.41 5.86 5.36 0.17 -4.69 117.98 126.11 1r4y s PHE 38 Ca 0.78 -2.94 0.30 0.00 -0.96 0.00 0.00 56.93 54.10 1r4y s PHE 38 Cb -0.32 -2.27 1.39 0.00 -0.34 0.00 0.00 43.02 41.48 1r4y s PHE 38 CO 0.42 -0.68 1.47 0.25 -1.46 0.00 0.00 175.22 175.22 1r4y n THR 39 N 2.70 -0.25 -1.57 0.12 -2.24 -1.26 -4.53 114.28 107.24 1r4y n THR 39 Ca 0.16 1.72 -0.16 0.00 -2.27 0.00 0.00 64.05 63.49 1r4y n THR 39 Cb 0.36 -2.81 -0.06 0.00 -2.10 0.00 0.00 70.33 65.72 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 -4.64 -4.23 0.00 3.42 5.15 -1.26 0.21 115.26 113.91 1r4y n ASN 40 Ca 0.38 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.72 1r4y n ASN 40 Cb 1.46 -3.82 0.00 0.00 -0.53 0.00 0.00 39.78 36.88 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 -0.36 3.10 3.37 8.20 0.00 -1.26 -4.04 105.19 114.19 1r4y n GLY 41 Ca -0.16 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.76 0.06 1.61 4.01 0.13 -4.23 117.16 116.99 1r4y n TYR 42 Ca 0.00 0.28 -0.18 0.00 -0.16 0.00 0.00 57.90 57.85 1r4y n TYR 42 Cb 0.00 -1.80 -0.14 0.00 -0.31 0.00 0.00 39.34 37.09 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 -0.65 0.42 0.00 7.72 3.32 -1.75 -3.44 116.42 122.04 1r4y h ASP 43 Ca -0.44 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.02 1r4y h ASP 43 Cb 1.34 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1r4y h ASP 43 CO 0.38 1.49 0.00 0.61 -1.72 0.00 0.00 179.24 180.00 1r4y n GLY 44 N 1.69 -1.67 1.19 2.75 0.00 -1.26 -5.05 105.19 102.84 1r4y n GLY 44 Ca -0.17 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.95 0.52 -3.14 1.61 9.92 -1.26 -2.87 116.55 118.38 1r4y n ASP 45 Ca 0.00 0.12 -0.10 0.00 -0.53 0.00 0.00 54.79 54.28 1r4y n ASP 45 Cb 0.00 -0.12 0.10 0.00 -0.64 0.00 0.00 41.12 40.45 1r4y n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r4y n GLY 46 N 3.17 -3.00 0.00 0.44 0.00 -1.26 -3.52 105.19 101.02 1r4y n GLY 46 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1r4y n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4y n LYS 47 N -2.55 -0.88 -2.69 1.61 5.02 -1.26 -4.37 118.16 113.03 1r4y n LYS 47 Ca 0.05 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 1r4y n LYS 47 Cb 0.20 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.24 1r4y n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r4y s LEU 48 N 0.00 3.32 0.70 -0.35 1.02 -1.26 -3.18 118.68 118.93 1r4y s LEU 48 Ca 0.00 -0.09 -0.12 0.00 0.02 0.00 0.00 54.13 53.94 1r4y s LEU 48 Cb 0.00 -2.81 0.02 0.00 0.02 0.00 0.00 46.19 43.42 1r4y s LEU 48 CO 0.00 -1.10 1.08 -2.16 0.02 0.00 0.00 176.35 174.19 1r4y s PRO 49 N -4.71 2.68 -0.59 1.29 0.04 -1.26 -4.90 135.00 127.56 1r4y s PRO 49 Ca 0.57 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 1r4y s PRO 49 Cb -0.10 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 1r4y s PRO 49 CO 0.38 -1.31 2.29 0.21 0.04 0.00 0.00 177.00 178.61 1r4y s LYS 50 N -4.65 2.11 0.00 4.56 2.20 -1.26 -2.36 119.74 120.35 1r4y s LYS 50 Ca 0.62 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 1r4y s LYS 50 Cb -0.17 -4.62 0.00 0.00 -1.51 0.00 0.00 37.83 31.53 1r4y s LYS 50 CO 0.50 -3.42 0.00 0.41 -0.36 0.00 0.00 175.35 172.47 1r4y n GLY 51 N 6.15 1.07 3.45 5.54 0.00 -1.26 -5.16 105.19 114.98 1r4y n GLY 51 Ca 0.36 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.00 1.60 -0.30 1.61 6.06 -0.99 -5.13 118.95 121.79 1r4y s ARG 52 Ca 0.00 -1.76 -0.03 0.00 -2.50 0.00 0.00 55.73 51.44 1r4y s ARG 52 Cb 0.00 -1.49 0.11 0.00 0.06 0.00 0.00 34.95 33.63 1r4y s ARG 52 CO 0.00 0.21 0.14 0.99 -2.50 0.00 0.00 175.30 174.14 1r4y s THR 53 N -2.73 -0.01 0.77 4.11 2.01 -1.26 -5.02 115.64 113.51 1r4y s THR 53 Ca 0.29 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 1r4y s THR 53 Cb -0.01 -1.02 0.05 0.00 0.01 0.00 0.00 72.50 71.53 1r4y s THR 53 CO 0.13 -0.77 1.08 -2.16 -0.69 0.00 0.00 174.62 172.21 1r4y s PRO 54 N 1.91 2.33 -0.22 4.92 0.04 -1.26 -4.80 135.00 137.92 1r4y s PRO 54 Ca 0.11 0.99 -0.24 0.00 0.04 0.00 0.00 61.00 61.90 1r4y s PRO 54 Cb -0.17 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1r4y s PRO 54 CO -0.30 -1.54 0.80 0.42 0.04 0.00 0.00 177.00 176.41 1r4y s ILE 55 N -2.98 4.88 0.08 0.56 1.01 -1.26 -5.02 121.20 118.46 1r4y s ILE 55 Ca 0.60 1.53 -0.27 0.00 0.00 0.00 0.00 60.65 62.51 1r4y s ILE 55 Cb -0.16 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.16 1r4y s ILE 55 CO 0.56 -0.02 0.85 -0.75 0.00 0.00 0.00 174.94 175.58 1r4y s LYS 56 N 2.52 4.59 -0.01 2.79 2.36 -1.26 -4.91 119.74 125.83 1r4y s LYS 56 Ca 0.35 1.24 -0.01 0.00 -2.55 0.00 0.00 55.97 54.99 1r4y s LYS 56 Cb -0.16 -3.36 -0.01 0.00 -1.05 0.00 0.00 37.83 33.25 1r4y s LYS 56 CO 0.09 0.28 -0.03 1.19 1.55 0.00 0.00 175.35 178.43 1r4y n PHE 57 N 2.69 0.00 0.00 4.03 3.72 -1.26 -4.81 117.46 121.83 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 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 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 2.94 0.89 3.89 1.37 0.00 -1.26 -5.12 105.19 107.89 1r4y n GLY 58 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 3.44 0.00 1.61 -0.14 -1.26 -4.98 119.74 118.41 1r4y s LYS 59 Ca 0.00 -0.18 0.25 0.00 -1.36 0.00 0.00 55.97 54.68 1r4y s LYS 59 Cb 0.00 -3.17 1.44 0.00 -1.68 0.00 0.00 37.83 34.42 1r4y s LYS 59 CO 0.00 0.75 1.87 0.45 -0.76 0.00 0.00 175.35 177.67 1r4y n SER 60 N 1.71 0.00 -0.08 2.83 2.88 -1.26 -1.77 113.62 117.93 1r4y n SER 60 Ca -0.18 -0.54 -0.11 0.00 -1.33 0.00 0.00 58.87 56.71 1r4y n SER 60 Cb 0.54 -0.10 -0.06 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.57 -3.46 3.32 -1.93 -2.93 116.42 111.99 1r4y h ASP 61 Ca 0.00 -0.27 -0.17 0.00 0.02 0.00 0.00 57.03 56.61 1r4y h ASP 61 Cb 0.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1r4y h ASP 61 CO 0.00 1.00 -0.75 0.00 -1.72 0.00 0.00 179.24 177.78 1r4y h ASP 63 N 0.09 0.90 -3.59 0.00 3.58 -1.53 -3.45 116.42 112.41 1r4y h ASP 63 Ca -0.02 -0.20 -0.53 0.00 0.42 0.00 0.00 57.03 56.70 1r4y h ASP 63 Cb 1.32 -0.24 0.21 0.00 1.72 0.00 0.00 39.33 42.34 1r4y h ASP 63 CO 0.11 0.91 -0.40 -2.11 -2.88 0.00 0.00 179.24 174.87 1r4y n ARG 64 N -4.22 -0.35 -2.32 0.28 1.85 -1.11 -4.93 116.66 105.86 1r4y n ARG 64 Ca 0.04 -0.05 -0.40 0.00 -1.00 0.00 0.00 57.85 56.43 1r4y n ARG 64 Cb 0.28 -1.97 -0.03 0.00 -1.05 0.00 0.00 32.46 29.69 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 -3.86 4.46 0.95 2.89 0.04 -1.26 -4.98 135.00 133.24 1r4y s PRO 65 Ca 0.59 1.95 -0.13 0.00 0.04 0.00 0.00 61.00 63.46 1r4y s PRO 65 Cb -0.21 -3.07 0.16 0.00 0.04 0.00 0.00 34.50 31.42 1r4y s PRO 65 CO 0.65 -0.00 1.12 -1.25 0.04 0.00 0.00 177.00 177.56 1r4y s PRO 66 N -1.70 0.78 -0.39 0.56 0.04 -1.23 -4.91 135.00 128.16 1r4y s PRO 66 Ca 0.48 0.34 0.12 0.00 0.04 0.00 0.00 61.00 61.98 1r4y s PRO 66 Cb -0.34 -1.79 0.38 0.00 0.04 0.00 0.00 34.50 32.78 1r4y s PRO 66 CO 0.45 -2.45 0.83 1.17 0.04 0.00 0.00 177.00 177.03 1r4y n LYS 67 N -3.95 1.45 -2.01 4.56 3.00 -1.26 -4.52 118.16 115.44 1r4y n LYS 67 Ca 0.06 -3.62 -0.33 0.00 -0.00 0.00 0.00 58.31 54.43 1r4y n LYS 67 Cb 0.59 -1.71 0.01 0.00 0.00 0.00 0.00 35.03 33.92 1r4y n LYS 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1r4y s HIS 68 N -2.78 2.97 0.07 5.64 5.65 -1.14 -4.21 115.29 121.49 1r4y s HIS 68 Ca 0.39 1.51 0.01 0.00 0.25 0.00 0.00 55.06 57.22 1r4y s HIS 68 Cb 0.37 -3.01 -0.00 0.00 -1.18 0.00 0.00 32.58 28.75 1r4y s HIS 68 CO -0.07 -1.15 0.07 0.43 -0.65 0.00 0.00 174.74 173.37 1r4y n SER 69 N -2.10 -0.19 -3.78 9.88 7.64 -1.26 -4.60 113.62 119.20 1r4y n SER 69 Ca 0.09 -1.45 -0.42 0.00 1.01 0.00 0.00 58.87 58.09 1r4y n SER 69 Cb 0.53 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 1r4y n SER 69 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1r4y n LYS 70 N -0.13 3.33 0.00 1.43 5.02 -1.26 -3.71 118.16 122.83 1r4y n LYS 70 Ca 0.01 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 1r4y n LYS 70 Cb 0.13 -3.07 0.00 0.00 -0.02 0.00 0.00 35.03 32.07 1r4y n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r4y n ASP 71 N 4.72 0.00 0.00 4.39 8.00 -1.26 -5.06 116.55 127.34 1r4y n ASP 71 Ca 0.46 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1r4y n ASP 71 Cb 0.37 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 -0.73 2.22 2.87 0.44 0.00 -1.24 -4.84 105.19 103.90 1r4y n GLY 72 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 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 4.69 0.00 1.61 6.94 -1.26 -4.44 115.26 122.80 1r4y n ASN 73 Ca 0.00 -3.69 0.00 0.00 -0.02 0.00 0.00 54.58 50.87 1r4y n ASN 73 Cb 0.00 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 36.84 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 -0.27 -1.93 0.00 4.83 0.00 -1.26 -4.81 105.19 101.74 1r4y n GLY 74 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.68 1.61 5.02 -1.26 -4.75 118.16 118.10 1r4y n LYS 75 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1r4y n LYS 75 Cb 0.00 -0.18 0.13 0.00 -0.02 0.00 0.00 35.03 34.97 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 1.41 -0.97 -0.18 5.66 -1.26 -5.06 114.28 113.87 1r4y n THR 76 Ca 0.00 -2.20 -0.38 0.00 -3.05 0.00 0.00 64.05 58.42 1r4y n THR 76 Cb 0.00 0.12 -0.10 0.00 -1.55 0.00 0.00 70.33 68.80 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 -0.70 0.42 -0.77 1.09 9.92 -1.26 -4.73 116.55 120.52 1r4y n ASP 77 Ca 0.13 0.36 0.02 0.00 -0.53 0.00 0.00 54.79 54.77 1r4y n ASP 77 Cb 0.79 -0.66 0.09 0.00 -0.64 0.00 0.00 41.12 40.69 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 6.25 0.43 -1.58 1.24 1.44 -1.26 -4.68 115.22 117.07 1r4y n HIS 78 Ca 0.43 -0.15 -0.48 0.00 -2.01 0.00 0.00 57.72 55.51 1r4y n HIS 78 Cb -0.01 -0.18 -0.04 0.00 0.12 0.00 0.00 29.99 29.89 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 0.12 1.25 -2.55 -1.40 4.11 -1.26 -3.71 117.16 113.72 1r4y n TYR 79 Ca 0.06 0.69 -0.41 0.00 -0.00 0.00 0.00 57.90 58.24 1r4y n TYR 79 Cb 0.43 -2.27 -0.04 0.00 -0.00 0.00 0.00 39.34 37.46 1r4y n TYR 79 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1r4y s LEU 80 N 0.68 4.52 0.09 -3.48 1.43 -1.26 -3.47 118.68 117.19 1r4y s LEU 80 Ca 0.71 2.10 0.09 0.00 -1.03 0.00 0.00 54.13 55.99 1r4y s LEU 80 Cb -0.83 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 41.75 1r4y s LEU 80 CO 0.53 -0.15 -0.22 -0.22 0.23 0.00 0.00 176.35 176.53 1r4y s LEU 81 N -0.70 2.27 0.32 1.79 0.20 -0.80 0.43 118.68 122.19 1r4y s LEU 81 Ca 0.47 -0.66 0.09 0.00 0.69 0.00 0.00 54.13 54.72 1r4y s LEU 81 Cb -0.29 -0.98 -0.05 0.00 -0.43 0.00 0.00 46.19 44.44 1r4y s LEU 81 CO 0.36 0.11 0.01 -1.83 -0.29 0.00 0.00 176.35 174.70 1r4y s GLU 82 N -1.76 2.13 -0.18 1.98 1.03 -0.55 -2.08 118.70 119.26 1r4y s GLU 82 Ca 0.08 -1.65 -0.12 0.00 0.03 0.00 0.00 54.97 53.30 1r4y s GLU 82 Cb -0.10 -2.00 0.05 0.00 -0.80 0.00 0.00 34.13 31.29 1r4y s GLU 82 CO 0.04 0.20 0.45 0.12 -1.33 0.00 0.00 175.26 174.74 1r4y s PHE 83 N -2.46 -0.60 -0.53 4.83 5.36 -0.75 -2.29 117.98 121.53 1r4y s PHE 83 Ca 0.34 1.33 -0.27 0.00 -0.96 0.00 0.00 56.93 57.36 1r4y s PHE 83 Cb -0.02 0.26 -0.01 0.00 -0.34 0.00 0.00 43.02 42.91 1r4y s PHE 83 CO 0.20 -0.32 1.65 -1.25 -1.46 0.00 0.00 175.22 174.04 1r4y s PRO 84 N 0.96 3.07 -0.38 10.12 0.04 -1.26 -0.34 135.00 147.21 1r4y s PRO 84 Ca -0.06 0.71 -0.10 0.00 0.04 0.00 0.00 61.00 61.60 1r4y s PRO 84 Cb -0.06 -4.23 0.05 0.00 0.04 0.00 0.00 34.50 30.29 1r4y s PRO 84 CO -0.08 -2.20 0.21 -0.08 0.04 0.00 0.00 177.00 174.89 1r4y s THR 85 N 7.29 4.34 0.54 1.26 -1.32 -1.22 -4.79 115.64 121.74 1r4y s THR 85 Ca 0.63 -1.08 -0.07 0.00 -1.21 0.00 0.00 61.69 59.96 1r4y s THR 85 Cb -0.14 -3.51 -0.02 0.00 -1.51 0.00 0.00 72.50 67.32 1r4y s THR 85 CO 0.25 -0.32 0.87 -0.36 -2.21 0.00 0.00 174.62 172.86 1r4y s PHE 86 N 1.49 3.50 0.05 9.09 0.08 -1.26 -4.82 117.98 126.10 1r4y s PHE 86 Ca 0.02 0.88 -0.16 0.00 0.12 0.00 0.00 56.93 57.79 1r4y s PHE 86 Cb -0.21 -2.51 -0.25 0.00 -0.57 0.00 0.00 43.02 39.48 1r4y s PHE 86 CO 0.05 -0.52 1.14 -1.00 -0.10 0.00 0.00 175.22 174.79 1r4y h PRO 87 N -0.01 0.61 -1.84 0.24 0.13 -1.94 -3.21 132.00 125.97 1r4y h PRO 87 Ca -0.46 -0.69 0.55 0.00 -0.87 0.00 0.00 66.00 64.53 1r4y h PRO 87 Cb 1.22 0.20 -0.09 0.00 0.13 0.00 0.00 31.00 32.46 1r4y h PRO 87 CO 0.62 1.28 1.31 -0.40 -0.23 0.00 0.00 178.00 180.57 1r4y n ASP 88 N -3.95 0.04 0.00 1.44 5.68 -1.26 -4.76 116.55 113.74 1r4y n ASP 88 Ca -0.11 1.05 0.00 0.00 -0.50 0.00 0.00 54.79 55.23 1r4y n ASP 88 Cb 0.85 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1r4y n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r4y n GLY 89 N -1.83 1.26 3.71 6.12 0.00 -1.21 -5.04 105.19 108.20 1r4y n GLY 89 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 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 2.15 -3.08 1.61 1.44 -1.26 -4.92 115.22 109.15 1r4y n HIS 90 Ca 0.00 0.47 -0.40 0.00 -2.01 0.00 0.00 57.72 55.78 1r4y n HIS 90 Cb 0.00 -2.37 -0.06 0.00 0.12 0.00 0.00 29.99 27.68 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 -0.65 6.70 1.08 4.39 -1.08 -1.26 -4.65 116.67 121.20 1r4y s ASP 91 Ca 0.64 0.85 -0.22 0.00 -0.52 0.00 0.00 52.55 53.30 1r4y s ASP 91 Cb -0.48 -2.36 0.01 0.00 -1.46 0.00 0.00 42.92 38.63 1r4y s ASP 91 CO 0.55 -0.32 -0.52 0.00 0.52 0.00 0.00 175.17 175.40 1r4y n TYR 92 N 5.26 -1.37 -2.66 -5.34 9.36 -1.26 -4.88 117.16 116.27 1r4y n TYR 92 Ca -0.00 0.31 -0.41 0.00 3.32 0.00 0.00 57.90 61.12 1r4y n TYR 92 Cb 0.49 -1.50 0.02 0.00 -0.63 0.00 0.00 39.34 37.72 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 -0.58 5.37 -0.04 2.98 2.85 -1.26 -4.67 118.16 122.82 1r4y n LYS 93 Ca -0.00 -4.64 0.01 0.00 -1.05 0.00 0.00 58.31 52.62 1r4y n LYS 93 Cb 0.67 -2.48 0.02 0.00 -0.65 0.00 0.00 35.03 32.59 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 0.08 0.09 -0.06 5.58 1.16 -1.26 -3.15 117.46 119.89 1r4y n PHE 94 Ca 0.45 -0.03 -0.06 0.00 -1.87 0.00 0.00 57.45 55.94 1r4y n PHE 94 Cb 0.27 -0.06 -0.09 0.00 -1.61 0.00 0.00 39.48 37.99 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 -0.17 2.22 -4.23 5.98 -0.08 -1.26 -0.07 116.55 118.93 1r4y n ASP 95 Ca 0.01 -0.01 -0.35 0.00 -1.51 0.00 0.00 54.79 52.93 1r4y n ASP 95 Cb 0.17 0.64 -0.14 0.00 2.34 0.00 0.00 41.12 44.13 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 -4.58 4.38 0.18 1.67 0.01 -1.23 -4.12 113.70 110.01 1r4y s SER 96 Ca -0.08 -0.76 -0.14 0.00 1.31 0.00 0.00 55.95 56.28 1r4y s SER 96 Cb 0.04 -1.70 0.10 0.00 0.21 0.00 0.00 66.02 64.67 1r4y s SER 96 CO 0.46 -0.11 1.80 0.07 0.41 0.00 0.00 173.24 175.87 1r4y h LYS 97 N 8.06 0.55 -3.40 12.44 2.10 -1.83 -3.21 116.57 131.28 1r4y h LYS 97 Ca -0.34 -0.03 -0.26 0.00 -2.00 0.00 0.00 60.65 58.02 1r4y h LYS 97 Cb 1.12 -0.12 -0.32 0.00 -0.90 0.00 0.00 32.23 32.01 1r4y h LYS 97 CO 0.59 0.36 -0.65 0.21 -2.00 0.00 0.00 179.45 177.96 1r4y s LYS 98 N -6.14 0.05 1.13 0.07 2.20 -1.26 -4.07 119.74 111.72 1r4y s LYS 98 Ca -0.13 0.26 -0.17 0.00 -0.36 0.00 0.00 55.97 55.57 1r4y s LYS 98 Cb 0.13 -0.16 0.25 0.00 -1.51 0.00 0.00 37.83 36.54 1r4y s LYS 98 CO 0.74 -0.14 1.11 -1.25 -0.36 0.00 0.00 175.35 175.45 1r4y s PRO 99 N 0.93 -0.67 -0.02 4.03 0.04 -1.26 -5.16 135.00 132.90 1r4y s PRO 99 Ca -0.07 0.09 -0.08 0.00 0.04 0.00 0.00 61.00 60.98 1r4y s PRO 99 Cb -0.10 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.80 1r4y s PRO 99 CO -0.04 -3.37 0.16 -1.59 0.04 0.00 0.00 177.00 172.20 1r4y s LYS 100 N -5.29 0.43 0.83 4.56 0.00 -1.26 -4.77 119.74 114.24 1r4y s LYS 100 Ca 0.69 -0.23 -0.09 0.00 0.00 0.00 0.00 55.97 56.35 1r4y s LYS 100 Cb -0.12 0.19 0.14 0.00 0.00 0.00 0.00 37.83 38.04 1r4y s LYS 100 CO 0.56 -0.10 1.15 -2.00 0.00 0.00 0.00 175.35 174.96 1r4y s GLU 101 N -1.02 1.35 0.30 1.78 2.12 -1.26 -5.05 118.70 116.92 1r4y s GLU 101 Ca -0.11 -0.57 -0.29 0.00 0.36 0.00 0.00 54.97 54.36 1r4y s GLU 101 Cb -0.06 -2.07 -0.10 0.00 0.26 0.00 0.00 34.13 32.17 1r4y s GLU 101 CO 0.01 -1.83 1.13 1.21 -0.54 0.00 0.00 175.26 175.24 1r4y s ASN 102 N -4.75 7.12 0.18 -1.70 3.84 -1.26 -4.99 114.94 113.38 1r4y s ASN 102 Ca 0.68 2.32 0.00 0.00 0.21 0.00 0.00 52.86 56.07 1r4y s ASN 102 Cb -0.06 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 1r4y s ASN 102 CO 0.48 -0.25 0.00 -0.81 -2.79 0.00 0.00 177.10 173.73 1r4y n PRO 103 N 0.98 0.64 -4.11 0.43 -0.04 -1.26 -5.05 135.00 126.58 1r4y n PRO 103 Ca -0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.36 1r4y n PRO 103 Cb 0.45 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 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 -1.28 0.58 0.07 0.55 0.00 -1.26 -5.06 107.32 100.93 1r4y s GLY 104 Ca 0.00 -1.17 -0.15 0.00 0.00 0.00 0.00 44.72 43.41 1r4y s GLY 104 CO 0.00 -1.27 1.24 -0.56 0.00 0.00 0.00 173.10 172.51 1r4y h PRO 105 N 3.34 0.69 -6.12 2.90 0.13 -1.96 -3.44 132.00 127.55 1r4y h PRO 105 Ca -0.35 -0.63 -0.58 0.00 -0.87 0.00 0.00 66.00 63.58 1r4y h PRO 105 Cb 1.16 0.15 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 1r4y h PRO 105 CO 0.61 1.23 -0.08 0.00 -0.23 0.00 0.00 178.00 179.53 1r4y s ALA 106 N -3.56 3.58 0.03 -0.56 0.00 -1.26 -4.42 121.76 115.58 1r4y s ALA 106 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1r4y s ALA 106 Cb 0.07 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 1r4y s ALA 106 CO 0.89 0.34 -0.04 1.03 0.00 0.00 0.00 175.76 177.98 1r4y s ARG 107 N -0.79 0.40 -0.22 0.00 0.52 -1.09 -3.39 118.95 114.38 1r4y s ARG 107 Ca 0.28 -0.74 -0.27 0.00 -0.52 0.00 0.00 55.73 54.48 1r4y s ARG 107 Cb -0.18 0.06 -0.00 0.00 0.52 0.00 0.00 34.95 35.35 1r4y s ARG 107 CO 0.17 -0.04 0.92 0.54 0.02 0.00 0.00 175.30 176.91 1r4y s VAL 108 N -1.89 4.78 -0.24 3.52 0.11 0.54 -1.97 120.40 125.26 1r4y s VAL 108 Ca -0.11 1.79 -0.06 0.00 -2.93 0.00 0.00 61.98 60.67 1r4y s VAL 108 Cb -0.07 -4.21 -0.02 0.00 -1.53 0.00 0.00 36.38 30.55 1r4y s VAL 108 CO -0.02 -0.10 0.03 -0.63 -3.33 0.00 0.00 175.10 171.04 1r4y s ILE 109 N 2.86 3.99 0.03 7.04 1.09 0.05 -1.81 121.20 134.45 1r4y s ILE 109 Ca 0.40 -0.28 -0.02 0.00 -1.10 0.00 0.00 60.65 59.65 1r4y s ILE 109 Cb -0.15 -2.85 -0.02 0.00 -1.06 0.00 0.00 42.46 38.38 1r4y s ILE 109 CO 0.08 0.37 0.00 -0.72 -0.10 0.00 0.00 174.94 174.57 1r4y s TYR 110 N 1.51 0.28 0.55 3.97 -0.85 -0.89 -1.56 117.35 120.37 1r4y s TYR 110 Ca 0.06 -0.59 -0.08 0.00 -0.52 0.00 0.00 57.07 55.94 1r4y s TYR 110 Cb -0.15 -0.21 -0.03 0.00 0.38 0.00 0.00 41.96 41.96 1r4y s TYR 110 CO 0.01 -0.26 0.90 0.95 -1.52 0.00 0.00 175.55 175.64 1r4y s THR 111 N -2.04 4.60 0.15 -3.49 -4.23 -1.25 -1.91 115.64 107.47 1r4y s THR 111 Ca -0.10 0.41 0.08 0.00 -1.18 0.00 0.00 61.69 60.90 1r4y s THR 111 Cb -0.05 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 1r4y s THR 111 CO -0.03 -0.89 -0.07 -0.47 -0.54 0.00 0.00 174.62 172.62 1r4y s TYR 112 N -2.96 2.72 -0.07 3.99 6.14 -1.23 -3.24 117.35 122.70 1r4y s TYR 112 Ca 0.51 -0.18 -0.27 0.00 0.64 0.00 0.00 57.07 57.77 1r4y s TYR 112 Cb -0.11 -1.36 -0.23 0.00 0.42 0.00 0.00 41.96 40.68 1r4y s TYR 112 CO 0.48 0.48 1.05 -1.00 0.64 0.00 0.00 175.55 177.20 1r4y h PRO 113 N 3.12 -0.00 -5.70 4.97 0.13 -1.84 -3.37 132.00 129.30 1r4y h PRO 113 Ca -0.48 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.01 1r4y h PRO 113 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1r4y h PRO 113 CO 0.54 0.71 1.49 -1.71 -0.23 0.00 0.00 178.00 178.80 1r4y n ASN 114 N -4.75 1.11 -3.52 1.44 2.85 -1.26 -4.74 115.26 106.38 1r4y n ASN 114 Ca -0.09 0.39 -0.40 0.00 -0.11 0.00 0.00 54.58 54.37 1r4y n ASN 114 Cb 0.35 -1.05 -0.06 0.00 1.24 0.00 0.00 39.78 40.25 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 8.07 1.17 -1.66 1.20 5.02 -1.20 -4.25 118.16 126.51 1r4y n LYS 115 Ca 0.53 -1.56 -0.40 0.00 -2.02 0.00 0.00 58.31 54.86 1r4y n LYS 115 Cb 0.09 -2.74 -0.04 0.00 -0.02 0.00 0.00 35.03 32.33 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 5.99 2.51 -1.39 -0.18 0.31 -1.24 -4.83 118.33 119.50 1r4y n VAL 116 Ca 0.46 -2.34 -0.57 0.00 -0.01 0.00 0.00 64.34 61.89 1r4y n VAL 116 Cb 0.36 -2.36 -0.09 0.00 -0.91 0.00 0.00 33.84 30.84 1r4y n VAL 116 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1r4y n PHE 117 N 8.65 1.37 -0.08 3.52 -0.00 -1.26 -3.89 117.46 125.76 1r4y n PHE 117 Ca 0.49 0.90 -0.13 0.00 -0.00 0.00 0.00 57.45 58.71 1r4y n PHE 117 Cb 0.42 -1.94 -0.14 0.00 -0.00 0.00 0.00 39.48 37.82 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 1.89 0.01 3.82 0.00 0.00 -1.21 -4.97 105.19 104.74 1r4y n GLY 119 Ca -0.34 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.80 4.82 0.14 -0.61 1.09 -1.26 -0.77 121.20 122.81 1r4y s ILE 120 Ca 0.00 -0.60 0.10 0.00 -1.10 0.00 0.00 60.65 59.05 1r4y s ILE 120 Cb 0.00 -3.32 -0.04 0.00 -1.06 0.00 0.00 42.46 38.04 1r4y s ILE 120 CO 0.00 0.16 -0.23 0.27 -0.10 0.00 0.00 174.94 175.04 1r4y s ILE 121 N -1.40 2.07 -0.30 2.92 -4.36 -0.83 0.78 121.20 120.08 1r4y s ILE 121 Ca 0.30 -1.79 -0.18 0.00 -0.26 0.00 0.00 60.65 58.71 1r4y s ILE 121 Cb -0.12 -1.89 0.19 0.00 1.25 0.00 0.00 42.46 41.89 1r4y s ILE 121 CO 0.23 -0.06 1.24 0.00 0.24 0.00 0.00 174.94 176.58 1r4y s ALA 122 N -1.39 -2.48 -0.81 2.27 0.00 -0.65 -2.67 121.76 116.03 1r4y s ALA 122 Ca 0.14 1.95 -0.21 0.00 0.00 0.00 0.00 51.96 53.84 1r4y s ALA 122 Cb -0.09 -1.88 0.10 0.00 0.00 0.00 0.00 23.12 21.25 1r4y s ALA 122 CO 0.07 -0.27 1.07 -3.38 0.00 0.00 0.00 175.76 173.24 1r4y s HIS 123 N 0.84 2.86 -0.48 0.00 -3.43 -1.26 -2.75 115.29 111.07 1r4y s HIS 123 Ca -0.05 -0.95 0.02 0.00 -0.80 0.00 0.00 55.06 53.29 1r4y s HIS 123 Cb -0.03 -4.32 0.55 0.00 -1.43 0.00 0.00 32.58 27.36 1r4y s HIS 123 CO -0.12 -1.60 1.91 -2.37 -2.00 0.00 0.00 174.74 170.57 1r4y n THR 124 N 5.80 3.19 -0.02 -5.38 5.66 -1.26 -4.36 114.28 117.91 1r4y n THR 124 Ca 0.11 -2.08 -0.20 0.00 -3.05 0.00 0.00 64.05 58.83 1r4y n THR 124 Cb 0.47 -0.73 -0.13 0.00 -1.55 0.00 0.00 70.33 68.39 1r4y n THR 124 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1r4y h LYS 125 N 1.24 0.15 0.00 1.09 3.64 -1.89 -3.50 116.57 117.31 1r4y h LYS 125 Ca 0.58 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1r4y h LYS 125 Cb 2.13 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 34.05 1r4y h LYS 125 CO 1.17 1.13 0.00 0.39 -2.27 0.00 0.00 179.45 179.87 1r4y n GLU 126 N -4.21 0.00 -0.81 1.90 1.02 -1.26 -4.97 120.64 112.31 1r4y n GLU 126 Ca -0.21 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 56.90 1r4y n GLU 126 Cb 0.75 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.14 1r4y n GLU 126 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1r4y n ASN 127 N 0.00 -0.45 -2.88 1.62 2.85 -1.26 -5.04 115.26 110.10 1r4y n ASN 127 Ca 0.00 -1.61 0.01 0.00 -0.11 0.00 0.00 54.58 52.87 1r4y n ASN 127 Cb 0.00 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.15 1r4y n ASN 127 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1r4y s GLN 128 N 0.00 0.39 0.00 1.20 -0.21 -1.26 -5.11 119.66 114.67 1r4y s GLN 128 Ca 0.02 -0.17 0.00 0.00 0.02 0.00 0.00 55.36 55.23 1r4y s GLN 128 Cb 0.02 0.04 0.00 0.00 1.00 0.00 0.00 33.01 34.07 1r4y s GLN 128 CO -0.01 -0.56 0.00 0.41 -2.12 0.00 0.00 175.29 173.02 1r4y n GLY 129 N 3.75 0.08 2.22 3.09 0.00 -1.26 -4.99 105.19 108.08 1r4y n GLY 129 Ca 0.08 0.69 -0.32 0.00 0.00 0.00 0.00 46.02 46.47 1r4y n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r4y n GLU 130 N 0.00 0.00 -1.09 1.61 1.02 -1.26 -4.61 120.64 116.30 1r4y n GLU 130 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1r4y n GLU 130 Cb 0.00 -0.68 0.11 0.00 -0.02 0.00 0.00 31.44 30.86 1r4y n GLU 130 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1r4y n LEU 131 N 1.28 2.98 -4.16 -4.62 4.32 -1.26 -4.64 117.00 110.90 1r4y n LEU 131 Ca 0.12 0.55 -0.15 0.00 -0.02 0.00 0.00 56.01 56.51 1r4y n LEU 131 Cb 0.15 -1.40 -0.11 0.00 -1.62 0.00 0.00 43.42 40.44 1r4y n LEU 131 CO 0.37 -2.28 -0.42 -1.59 -1.22 0.00 0.00 177.39 172.24 1r4y s LYS 132 N -3.75 0.80 0.20 3.23 -2.85 -1.11 -4.74 119.74 111.51 1r4y s LYS 132 Ca 0.69 -1.06 -0.32 0.00 -1.00 0.00 0.00 55.97 54.29 1r4y s LYS 132 Cb -0.29 -0.57 -0.12 0.00 -2.06 0.00 0.00 37.83 34.79 1r4y s LYS 132 CO 0.55 0.10 1.73 -0.11 0.10 0.00 0.00 175.35 177.72 1r4y n LEU 133 N 0.85 3.96 0.00 2.77 7.94 -1.26 -1.63 117.00 129.63 1r4y n LEU 133 Ca -0.18 1.06 -0.21 0.00 -1.11 0.00 0.00 56.01 55.57 1r4y n LEU 133 Cb 0.56 -1.57 0.20 0.00 0.53 0.00 0.00 43.42 43.15 1r4y n LEU 133 CO 0.25 0.16 0.24 0.00 -1.11 0.00 0.00 177.39 176.92 1r4y s SER 135 N -2.68 -0.26 0.00 0.00 0.01 -1.10 -4.89 113.70 104.78 1r4y s SER 135 Ca 0.46 -2.11 0.00 0.00 1.31 0.00 0.00 55.95 55.61 1r4y s SER 135 Cb -0.08 1.00 0.00 0.00 0.21 0.00 0.00 66.02 67.15 1r4y s SER 135 CO 0.38 -0.12 0.00 0.00 0.41 0.00 0.00 173.24 173.92