#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 0.51 -3.06 0.00 3.14 -1.26 -3.70 118.33 113.95 1r4y n VAL 2 Ca 0.00 -0.13 -0.42 0.00 -2.96 0.00 0.00 64.34 60.83 1r4y n VAL 2 Cb 0.00 -0.19 -0.06 0.00 -1.06 0.00 0.00 33.84 32.53 1r4y n VAL 2 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1r4y s THR 3 N -0.17 4.82 0.21 1.55 2.01 -1.26 -0.96 115.64 121.84 1r4y s THR 3 Ca 0.83 0.55 -0.26 0.00 0.31 0.00 0.00 61.69 63.11 1r4y s THR 3 Cb -1.12 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 67.15 1r4y s THR 3 CO 0.55 -0.43 0.84 0.26 -0.69 0.00 0.00 174.62 175.15 1r4y s TRP 4 N 2.87 3.88 -0.02 4.92 0.52 0.21 -4.65 118.94 126.67 1r4y s TRP 4 Ca 0.26 1.71 0.03 0.00 0.02 0.00 0.00 56.10 58.12 1r4y s TRP 4 Cb -0.14 -2.83 -0.00 0.00 -1.15 0.00 0.00 33.47 29.35 1r4y s TRP 4 CO 0.17 0.44 -0.12 0.99 0.02 0.00 0.00 176.95 178.45 1r4y s THR 5 N -1.26 0.95 0.00 2.01 2.01 -1.21 0.05 115.64 118.19 1r4y s THR 5 Ca 0.40 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1r4y s THR 5 Cb -0.23 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.47 1r4y s THR 5 CO 0.27 0.28 0.00 0.00 -0.69 0.00 0.00 174.62 174.48 1r4y n GLY 7 N 2.04 1.80 2.88 0.00 0.00 -1.26 -4.61 105.19 106.05 1r4y n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.11 0.46 3.66 -0.02 0.00 -1.26 -4.99 105.19 104.14 1r4y n GLY 8 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.51 -0.15 0.99 1.02 -1.26 -5.09 118.68 117.69 1r4y s LEU 9 Ca 0.00 0.11 -0.16 0.00 0.02 0.00 0.00 54.13 54.10 1r4y s LEU 9 Cb 0.00 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 1r4y s LEU 9 CO 0.00 0.36 0.38 -0.76 0.02 0.00 0.00 176.35 176.35 1r4y s LEU 10 N -0.79 4.24 -0.36 1.79 1.02 -1.26 -3.41 118.68 119.91 1r4y s LEU 10 Ca 0.12 0.62 0.02 0.00 0.02 0.00 0.00 54.13 54.91 1r4y s LEU 10 Cb -0.11 -2.52 0.11 0.00 0.02 0.00 0.00 46.19 43.69 1r4y s LEU 10 CO 0.02 0.03 0.11 -0.31 0.02 0.00 0.00 176.35 176.22 1r4y s TYR 11 N 0.68 2.81 -0.07 0.29 2.02 0.11 -4.56 117.35 118.61 1r4y s TYR 11 Ca 0.20 -2.52 -0.36 0.00 -0.37 0.00 0.00 57.07 54.03 1r4y s TYR 11 Cb -0.14 -2.39 -0.14 0.00 -0.40 0.00 0.00 41.96 38.90 1r4y s TYR 11 CO 0.07 -0.89 1.74 -1.71 -1.57 0.00 0.00 175.55 173.19 1r4y n ASN 12 N 4.28 2.96 -0.32 2.29 5.15 -1.26 -0.62 115.26 127.74 1r4y n ASN 12 Ca 0.02 1.03 0.05 0.00 -0.60 0.00 0.00 54.58 55.08 1r4y n ASN 12 Cb 0.40 -1.31 0.20 0.00 -0.53 0.00 0.00 39.78 38.54 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 7.71 0.83 -0.83 1.20 5.75 -1.13 0.22 115.11 128.86 1r4y h GLN 13 Ca -0.47 -0.05 0.19 0.00 -0.15 0.00 0.00 58.65 58.17 1r4y h GLN 13 Cb 1.29 -0.19 -0.12 0.00 1.07 0.00 0.00 27.48 29.53 1r4y h GLN 13 CO 0.92 0.55 0.28 -0.97 -2.65 0.00 0.00 178.83 176.97 1r4y h ASN 14 N 0.86 0.16 -0.22 -0.69 -1.24 -1.83 0.29 115.58 112.91 1r4y h ASN 14 Ca 0.44 0.15 -0.15 0.00 0.71 0.00 0.00 56.30 57.45 1r4y h ASN 14 Cb 0.44 0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 1r4y h ASN 14 CO -0.26 -0.03 -0.42 0.11 -1.29 0.00 0.00 177.43 175.54 1r4y h LYS 15 N 0.33 0.77 -0.92 6.67 1.57 -1.03 0.53 116.57 124.48 1r4y h LYS 15 Ca 0.50 -0.41 0.14 0.00 -1.87 0.00 0.00 60.65 59.01 1r4y h LYS 15 Cb 0.90 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.14 1r4y h LYS 15 CO -0.53 1.04 0.53 0.00 -0.57 0.00 0.00 179.45 179.92 1r4y h ALA 16 N 0.90 1.42 0.15 3.86 0.00 0.16 0.55 119.26 126.31 1r4y h ALA 16 Ca 0.05 0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 1r4y h ALA 16 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1r4y h ALA 16 CO 0.09 0.02 -1.63 1.05 0.00 0.00 0.00 179.25 178.79 1r4y h GLU 17 N 0.77 0.33 0.34 0.00 4.11 -0.94 -3.30 114.58 115.89 1r4y h GLU 17 Ca 0.49 -0.56 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 1r4y h GLU 17 Cb 0.64 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1r4y h GLU 17 CO -0.33 1.27 -0.16 1.03 0.07 0.00 0.00 179.01 180.88 1r4y h SER 18 N -0.07 -0.39 -1.00 3.06 0.87 0.31 0.62 113.55 116.96 1r4y h SER 18 Ca -0.33 -0.04 0.41 0.00 -1.23 0.00 0.00 61.79 60.60 1r4y h SER 18 Cb 1.95 0.10 -0.17 0.00 -0.44 0.00 0.00 62.40 63.84 1r4y h SER 18 CO 0.12 0.07 0.55 -3.20 -0.53 0.00 0.00 176.83 173.84 1r4y n ASN 19 N -5.08 0.33 0.09 6.23 4.05 0.19 -0.13 115.26 120.95 1r4y n ASN 19 Ca -0.06 1.59 -0.14 0.00 0.45 0.00 0.00 54.58 56.42 1r4y n ASN 19 Cb 0.21 -0.78 -0.13 0.00 1.23 0.00 0.00 39.78 40.31 1r4y n ASN 19 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 177.26 172.93 1r4y h SER 20 N 0.00 0.32 -1.07 1.20 0.87 -1.59 -3.32 113.55 109.96 1r4y h SER 20 Ca 0.83 -0.34 0.28 0.00 -1.23 0.00 0.00 61.79 61.33 1r4y h SER 20 Cb 2.23 -0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 63.98 1r4y h SER 20 CO -0.72 1.26 0.68 0.45 -0.53 0.00 0.00 176.83 177.97 1r4y h HIS 21 N 0.06 0.65 -0.06 2.24 3.86 0.38 0.90 115.15 123.17 1r4y h HIS 21 Ca -0.10 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.04 1r4y h HIS 21 Cb 1.90 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 30.19 1r4y h HIS 21 CO 0.05 0.03 -0.32 0.45 0.86 0.00 0.00 177.93 179.00 1r4y h HIS 22 N 0.36 0.44 -0.96 2.45 3.86 -1.65 -3.46 115.15 116.20 1r4y h HIS 22 Ca 0.62 -0.20 -0.76 0.00 -1.16 0.00 0.00 60.37 58.88 1r4y h HIS 22 Cb 1.61 -0.07 0.05 0.00 1.06 0.00 0.00 27.41 30.06 1r4y h HIS 22 CO -0.00 0.94 0.06 0.00 0.86 0.00 0.00 177.93 179.78 1r4y n ALA 23 N -2.51 -3.52 -2.34 2.45 0.00 0.31 -4.86 120.51 110.04 1r4y n ALA 23 Ca -0.08 0.57 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 1r4y n ALA 23 Cb 0.50 -1.68 -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 -0.00 4.39 -1.01 0.00 0.04 -1.26 -4.88 135.00 132.27 1r4y s PRO 24 Ca 0.87 1.87 -0.26 0.00 0.04 0.00 0.00 61.00 63.52 1r4y s PRO 24 Cb -1.21 -3.33 -0.16 0.00 0.04 0.00 0.00 34.50 29.84 1r4y s PRO 24 CO 0.55 -0.33 2.14 -1.17 0.04 0.00 0.00 177.00 178.22 1r4y s LEU 25 N 1.15 2.71 0.00 -3.56 2.96 -1.26 -4.68 118.68 115.99 1r4y s LEU 25 Ca 0.61 -0.82 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 1r4y s LEU 25 Cb -0.32 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 43.79 1r4y s LEU 25 CO 0.29 -4.00 0.00 -1.20 -1.32 0.00 0.00 176.35 170.12 1r4y n SER 26 N 17.81 0.00 -4.62 3.68 7.64 -1.26 -5.06 113.62 131.80 1r4y n SER 26 Ca 0.43 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.90 1r4y n SER 26 Cb 0.46 0.00 -0.05 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 6.69 -0.98 6.43 2.15 -1.26 -4.37 116.67 125.33 1r4y s ASP 27 Ca 0.00 0.78 -0.09 0.00 0.43 0.00 0.00 52.55 53.67 1r4y s ASP 27 Cb 0.00 -2.40 -0.02 0.00 -0.30 0.00 0.00 42.92 40.20 1r4y s ASP 27 CO 0.00 -0.52 0.78 0.61 -0.17 0.00 0.00 175.17 175.87 1r4y n GLY 28 N 4.06 -1.14 0.04 2.66 0.00 -0.11 -4.15 105.19 106.54 1r4y n GLY 28 Ca 0.03 0.51 0.01 0.00 0.00 0.00 0.00 46.02 46.57 1r4y n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r4y n LYS 29 N -3.14 1.67 -4.36 1.61 4.81 -1.25 -4.90 118.16 112.60 1r4y n LYS 29 Ca -0.09 -1.23 -0.29 0.00 -0.87 0.00 0.00 58.31 55.83 1r4y n LYS 29 Cb 0.59 -0.85 -0.12 0.00 0.02 0.00 0.00 35.03 34.67 1r4y n LYS 29 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1r4y s THR 30 N -0.78 2.51 0.12 3.15 -4.23 -1.25 -5.03 115.64 110.13 1r4y s THR 30 Ca 0.03 -1.72 -0.28 0.00 -1.18 0.00 0.00 61.69 58.54 1r4y s THR 30 Cb 0.03 -2.15 -0.08 0.00 1.34 0.00 0.00 72.50 71.63 1r4y s THR 30 CO 0.00 0.05 1.47 1.23 -0.54 0.00 0.00 174.62 176.83 1r4y h GLY 31 N 3.67 -1.13 0.08 3.99 0.00 -1.51 -2.60 103.07 105.57 1r4y h GLY 31 Ca -0.50 0.77 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1r4y h GLY 31 CO 0.44 -0.17 -0.16 1.76 0.00 0.00 0.00 176.54 178.40 1r4y h SER 32 N -0.24 -0.47 0.00 0.19 0.02 -1.62 -3.36 113.55 108.08 1r4y h SER 32 Ca 0.09 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1r4y h SER 32 Cb 0.46 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1r4y h SER 32 CO -0.60 -0.18 0.00 -1.54 -1.14 0.00 0.00 176.83 173.36 1r4y n SER 33 N -3.33 0.00 -4.73 3.07 3.41 -0.98 -4.86 113.62 106.21 1r4y n SER 33 Ca -0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.21 1r4y n SER 33 Cb 0.13 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.14 1r4y n SER 33 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1r4y n TYR 34 N 0.00 1.95 -1.50 7.33 4.01 -1.26 -3.65 117.16 124.05 1r4y n TYR 34 Ca 0.00 0.42 -0.30 0.00 -0.16 0.00 0.00 57.90 57.87 1r4y n TYR 34 Cb 0.00 -2.28 0.11 0.00 -0.31 0.00 0.00 39.34 36.86 1r4y n TYR 34 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1r4y s PRO 35 N -3.22 1.71 0.21 -0.72 0.04 -1.26 -4.67 135.00 127.10 1r4y s PRO 35 Ca 0.80 0.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 1r4y s PRO 35 Cb -0.39 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1r4y s PRO 35 CO 0.43 -1.86 0.17 -3.38 0.04 0.00 0.00 177.00 172.39 1r4y s HIS 36 N -3.16 1.15 0.55 0.56 -3.43 -1.02 -0.94 115.29 109.00 1r4y s HIS 36 Ca 0.62 -1.35 -0.20 0.00 -0.80 0.00 0.00 55.06 53.33 1r4y s HIS 36 Cb -0.15 -0.51 -0.05 0.00 -1.43 0.00 0.00 32.58 30.44 1r4y s HIS 36 CO 0.54 -0.69 1.20 -0.46 -2.00 0.00 0.00 174.74 173.33 1r4y s TRP 37 N -4.09 2.54 -0.57 0.38 -0.00 -1.26 -1.94 118.94 114.00 1r4y s TRP 37 Ca 0.38 1.51 0.04 0.00 -0.00 0.00 0.00 56.10 58.03 1r4y s TRP 37 Cb 0.06 -3.45 0.14 0.00 -0.00 0.00 0.00 33.47 30.22 1r4y s TRP 37 CO 0.13 -2.00 0.33 0.12 -0.00 0.00 0.00 176.95 175.53 1r4y s PHE 38 N -1.59 3.21 0.44 5.86 5.36 0.92 -4.70 117.98 127.49 1r4y s PHE 38 Ca 0.73 -3.18 0.31 0.00 -0.96 0.00 0.00 56.93 53.83 1r4y s PHE 38 Cb -0.30 -2.72 1.45 0.00 -0.34 0.00 0.00 43.02 41.12 1r4y s PHE 38 CO 0.34 -0.68 1.61 1.79 -1.46 0.00 0.00 175.22 176.81 1r4y h THR 39 N 5.14 0.10 -1.28 0.12 1.35 -1.86 -3.40 112.91 113.08 1r4y h THR 39 Ca -0.00 -0.02 -0.34 0.00 -0.55 0.00 0.00 66.41 65.49 1r4y h THR 39 Cb 0.85 0.02 -0.13 0.00 -1.73 0.00 0.00 68.15 67.16 1r4y h THR 39 CO 0.68 0.01 -0.32 -3.20 -0.25 0.00 0.00 175.52 172.45 1r4y n ASN 40 N -4.68 -4.46 0.00 5.36 5.15 -1.26 -0.03 115.26 115.35 1r4y n ASN 40 Ca 0.38 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.77 1r4y n ASN 40 Cb 1.48 -4.02 0.00 0.00 -0.53 0.00 0.00 39.78 36.71 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 -0.33 3.10 3.28 8.20 0.00 -1.26 -4.01 105.19 114.16 1r4y n GLY 41 Ca -0.17 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.59 0.07 1.61 4.01 0.96 -4.43 117.16 116.79 1r4y n TYR 42 Ca 0.00 0.30 -0.19 0.00 -0.16 0.00 0.00 57.90 57.85 1r4y n TYR 42 Cb 0.00 -1.72 -0.15 0.00 -0.31 0.00 0.00 39.34 37.16 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 -0.39 0.50 0.00 7.72 3.32 -1.73 -3.45 116.42 122.39 1r4y h ASP 43 Ca -0.43 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 55.91 1r4y h ASP 43 Cb 1.37 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1r4y h ASP 43 CO 0.38 1.59 0.00 0.61 -1.72 0.00 0.00 179.24 180.10 1r4y n GLY 44 N 1.74 -2.02 0.72 2.75 0.00 -1.26 -5.06 105.19 102.06 1r4y n GLY 44 Ca -0.20 0.60 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 1r4y n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r4y n ASP 45 N -1.72 0.87 -3.08 1.61 9.92 -1.26 -3.27 116.55 119.62 1r4y n ASP 45 Ca 0.00 0.13 -0.10 0.00 -0.53 0.00 0.00 54.79 54.29 1r4y n ASP 45 Cb 0.00 -0.35 0.10 0.00 -0.64 0.00 0.00 41.12 40.22 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 2.85 -3.71 0.46 0.44 0.00 -1.26 -2.87 105.19 101.10 1r4y n GLY 46 Ca -0.03 -1.22 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.18 -2.05 -2.06 1.61 5.02 -1.26 -4.31 118.16 111.93 1r4y n LYS 47 Ca 0.05 -0.20 -0.31 0.00 -2.02 0.00 0.00 58.31 55.83 1r4y n LYS 47 Cb 0.20 -0.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.94 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 3.34 0.81 -0.35 1.02 -1.26 -3.07 118.68 119.18 1r4y s LEU 48 Ca 0.09 1.35 -0.11 0.00 0.02 0.00 0.00 54.13 55.49 1r4y s LEU 48 Cb -0.02 -4.37 0.08 0.00 0.02 0.00 0.00 46.19 41.90 1r4y s LEU 48 CO 0.08 -0.79 1.09 -2.16 0.02 0.00 0.00 176.35 174.59 1r4y s PRO 49 N -4.97 1.93 -0.72 1.29 0.04 -1.26 -4.85 135.00 126.46 1r4y s PRO 49 Ca 0.54 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.31 1r4y s PRO 49 Cb -0.11 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 1r4y s PRO 49 CO 0.50 -1.82 2.54 1.17 0.04 0.00 0.00 177.00 179.43 1r4y n LYS 50 N -3.63 0.56 0.00 4.56 4.81 -1.26 -3.54 118.16 119.66 1r4y n LYS 50 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1r4y n LYS 50 Cb 0.54 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1r4y n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r4y n GLY 51 N 6.25 0.54 3.64 3.14 0.00 -1.26 -5.17 105.19 112.32 1r4y n GLY 51 Ca 0.51 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.57 1.13 -0.31 1.61 1.81 -1.23 -5.14 118.95 116.25 1r4y s ARG 52 Ca 0.00 -0.55 -0.02 0.00 -1.72 0.00 0.00 55.73 53.44 1r4y s ARG 52 Cb 0.00 0.44 0.12 0.00 -0.45 0.00 0.00 34.95 35.06 1r4y s ARG 52 CO 0.00 -0.51 0.17 0.99 -0.68 0.00 0.00 175.30 175.27 1r4y s THR 53 N -3.35 -0.04 0.41 0.02 2.01 -1.26 -5.05 115.64 108.38 1r4y s THR 53 Ca 0.08 -1.02 -0.24 0.00 0.31 0.00 0.00 61.69 60.82 1r4y s THR 53 Cb -0.02 -1.01 -0.08 0.00 0.01 0.00 0.00 72.50 71.40 1r4y s THR 53 CO -0.03 -0.79 1.11 -2.16 -0.69 0.00 0.00 174.62 172.06 1r4y s PRO 54 N 1.80 4.06 -0.08 4.92 0.04 -1.26 -4.76 135.00 139.72 1r4y s PRO 54 Ca 0.12 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 1r4y s PRO 54 Cb -0.18 -2.57 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1r4y s PRO 54 CO -0.25 -0.27 1.50 0.42 0.04 0.00 0.00 177.00 178.45 1r4y s ILE 55 N -1.55 3.82 0.12 0.56 1.01 -1.26 -4.98 121.20 118.93 1r4y s ILE 55 Ca 0.58 1.01 -0.28 0.00 0.00 0.00 0.00 60.65 61.97 1r4y s ILE 55 Cb -0.26 -3.65 -0.07 0.00 0.01 0.00 0.00 42.46 38.49 1r4y s ILE 55 CO 0.32 -0.08 0.88 -0.75 0.00 0.00 0.00 174.94 175.31 1r4y s LYS 56 N 3.70 4.65 -0.00 2.79 2.36 -1.26 -4.90 119.74 127.08 1r4y s LYS 56 Ca 0.66 1.31 -0.00 0.00 -2.55 0.00 0.00 55.97 55.39 1r4y s LYS 56 Cb -0.29 -3.34 -0.00 0.00 -1.05 0.00 0.00 37.83 33.15 1r4y s LYS 56 CO 0.24 0.34 -0.00 1.19 1.55 0.00 0.00 175.35 178.67 1r4y n PHE 57 N 2.39 0.00 0.00 4.03 3.72 -1.26 -4.94 117.46 121.40 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 0.49 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 3.04 1.08 3.79 1.37 0.00 -1.26 -5.10 105.19 108.11 1r4y n GLY 58 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1r4y n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4y s LYS 59 N 0.00 3.99 0.00 1.61 -0.14 -1.26 -4.98 119.74 118.96 1r4y s LYS 59 Ca 0.00 0.11 0.21 0.00 -1.36 0.00 0.00 55.97 54.93 1r4y s LYS 59 Cb 0.00 -3.32 1.20 0.00 -1.68 0.00 0.00 37.83 34.02 1r4y s LYS 59 CO 0.00 0.47 1.66 0.45 -0.76 0.00 0.00 175.35 177.17 1r4y n SER 60 N 2.80 0.00 -0.10 2.83 2.88 -1.26 -1.61 113.62 119.17 1r4y n SER 60 Ca -0.14 -0.43 -0.19 0.00 -1.33 0.00 0.00 58.87 56.77 1r4y n SER 60 Cb 0.53 -0.10 -0.10 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 0.31 -3.46 3.32 -1.93 -3.08 116.42 111.58 1r4y h ASP 61 Ca 0.00 -0.45 -0.21 0.00 0.02 0.00 0.00 57.03 56.39 1r4y h ASP 61 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1r4y h ASP 61 CO 0.00 1.37 -0.86 0.00 -1.72 0.00 0.00 179.24 178.03 1r4y h ASP 63 N 0.25 0.03 -4.26 0.00 1.82 -1.50 -3.45 116.42 109.31 1r4y h ASP 63 Ca -0.06 -0.01 -0.52 0.00 -0.39 0.00 0.00 57.03 56.05 1r4y h ASP 63 Cb 1.47 -0.01 0.19 0.00 0.68 0.00 0.00 39.33 41.67 1r4y h ASP 63 CO 0.15 0.23 0.25 0.00 -1.61 0.00 0.00 179.24 178.26 1r4y s ARG 64 N -4.59 1.15 0.30 0.28 1.70 -1.15 -4.98 118.95 111.65 1r4y s ARG 64 Ca -0.04 1.59 -0.29 0.00 -0.47 0.00 0.00 55.73 56.52 1r4y s ARG 64 Cb 0.16 -1.74 -0.10 0.00 -0.57 0.00 0.00 34.95 32.70 1r4y s ARG 64 CO 0.71 -2.54 1.22 -1.25 -1.08 0.00 0.00 175.30 172.35 1r4y s PRO 65 N -4.55 4.48 1.05 3.89 0.04 -1.26 -4.98 135.00 133.67 1r4y s PRO 65 Ca 0.68 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 63.59 1r4y s PRO 65 Cb -0.24 -3.13 0.21 0.00 0.04 0.00 0.00 34.50 31.38 1r4y s PRO 65 CO 0.56 -0.02 1.13 -1.25 0.04 0.00 0.00 177.00 177.46 1r4y s PRO 66 N -1.47 -0.00 -0.33 0.56 0.04 -1.14 -4.84 135.00 127.81 1r4y s PRO 66 Ca 0.48 0.17 0.16 0.00 0.04 0.00 0.00 61.00 61.84 1r4y s PRO 66 Cb -0.36 -1.72 0.46 0.00 0.04 0.00 0.00 34.50 32.92 1r4y s PRO 66 CO 0.46 -2.95 1.02 1.17 0.04 0.00 0.00 177.00 176.75 1r4y n LYS 67 N -4.26 1.82 -1.97 4.56 3.00 -1.26 -4.44 118.16 115.60 1r4y n LYS 67 Ca 0.09 -3.59 -0.42 0.00 -0.00 0.00 0.00 58.31 54.39 1r4y n LYS 67 Cb 0.59 -1.55 -0.03 0.00 0.00 0.00 0.00 35.03 34.03 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 -3.34 3.09 0.00 5.64 5.65 -1.20 -4.19 115.29 120.94 1r4y s HIS 68 Ca 0.32 0.68 0.00 0.00 0.25 0.00 0.00 55.06 56.31 1r4y s HIS 68 Cb 0.42 -3.89 0.00 0.00 -1.18 0.00 0.00 32.58 27.93 1r4y s HIS 68 CO -0.02 -3.26 0.00 0.45 -0.65 0.00 0.00 174.74 171.26 1r4y n SER 69 N 3.97 0.00 -3.05 9.88 2.88 -1.09 -4.55 113.62 121.66 1r4y n SER 69 Ca 0.13 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.52 1r4y n SER 69 Cb 0.39 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.98 1r4y n SER 69 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1r4y n LYS 70 N 0.00 -2.23 -0.20 -1.46 4.01 -1.25 -4.84 118.16 112.19 1r4y n LYS 70 Ca 0.00 -0.88 0.00 0.00 -0.51 0.00 0.00 58.31 56.92 1r4y n LYS 70 Cb 0.00 -0.85 0.00 0.00 -0.51 0.00 0.00 35.03 33.67 1r4y n LYS 70 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1r4y n ASP 71 N -4.00 2.25 0.00 4.39 5.75 -1.26 -4.49 116.55 119.19 1r4y n ASP 71 Ca 0.08 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 1r4y n ASP 71 Cb 0.30 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1r4y n ASP 71 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r4y n GLY 72 N 1.67 -0.22 0.00 6.12 0.00 -1.26 -4.69 105.19 106.82 1r4y n GLY 72 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 0.00 1.61 6.94 -1.26 -4.46 115.26 118.08 1r4y n ASN 73 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1r4y n ASN 73 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 4.01 0.06 0.00 4.83 0.00 -1.26 -2.67 105.19 110.16 1r4y n GLY 74 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.17 1.61 5.02 -1.26 -4.62 118.16 117.74 1r4y n LYS 75 Ca 0.00 0.07 0.02 0.00 -2.02 0.00 0.00 58.31 56.38 1r4y n LYS 75 Cb 0.00 -0.91 0.12 0.00 -0.02 0.00 0.00 35.03 34.22 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 -0.70 1.41 -0.77 -0.18 5.66 -1.26 -5.06 114.28 113.38 1r4y n THR 76 Ca 0.00 -2.53 -0.11 0.00 -3.05 0.00 0.00 64.05 58.37 1r4y n THR 76 Cb 0.00 0.21 -0.11 0.00 -1.55 0.00 0.00 70.33 68.88 1r4y n THR 76 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1r4y n ASP 77 N -0.49 -0.80 -0.48 1.09 -0.08 -1.26 -4.70 116.55 109.83 1r4y n ASP 77 Ca 0.16 -0.32 0.03 0.00 -1.51 0.00 0.00 54.79 53.15 1r4y n ASP 77 Cb 0.88 -0.28 0.10 0.00 2.34 0.00 0.00 41.12 44.16 1r4y n ASP 77 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r4y n HIS 78 N 2.86 0.33 -0.73 -0.67 1.44 -1.26 -4.49 115.22 112.69 1r4y n HIS 78 Ca 0.33 -0.15 -0.34 0.00 -2.01 0.00 0.00 57.72 55.56 1r4y n HIS 78 Cb 0.09 -0.04 0.15 0.00 0.12 0.00 0.00 29.99 30.30 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 -1.39 -3.61 -1.40 4.11 -1.26 -3.81 117.16 109.92 1r4y n TYR 79 Ca 0.07 0.24 -0.37 0.00 -0.00 0.00 0.00 57.90 57.84 1r4y n TYR 79 Cb 0.24 -1.52 -0.06 0.00 -0.00 0.00 0.00 39.34 38.00 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 0.53 4.42 -0.09 -3.48 1.02 -1.26 -1.35 118.68 118.48 1r4y s LEU 80 Ca 0.52 0.80 0.03 0.00 0.02 0.00 0.00 54.13 55.50 1r4y s LEU 80 Cb -0.07 -2.58 0.01 0.00 0.02 0.00 0.00 46.19 43.57 1r4y s LEU 80 CO 0.66 0.30 -0.19 -0.22 0.02 0.00 0.00 176.35 176.93 1r4y s LEU 81 N -1.31 1.88 0.48 1.79 0.20 -0.24 -0.06 118.68 121.43 1r4y s LEU 81 Ca 0.24 -0.44 -0.01 0.00 0.69 0.00 0.00 54.13 54.61 1r4y s LEU 81 Cb -0.15 -1.15 -0.00 0.00 -0.43 0.00 0.00 46.19 44.46 1r4y s LEU 81 CO 0.13 0.10 0.72 -1.83 -0.29 0.00 0.00 176.35 175.18 1r4y s GLU 82 N 0.51 3.06 -0.17 1.98 1.03 -0.82 -2.52 118.70 121.77 1r4y s GLU 82 Ca -0.17 -0.35 -0.11 0.00 0.03 0.00 0.00 54.97 54.38 1r4y s GLU 82 Cb -0.17 -2.49 0.06 0.00 -0.80 0.00 0.00 34.13 30.73 1r4y s GLU 82 CO 0.06 -0.35 0.43 0.12 -1.33 0.00 0.00 175.26 174.19 1r4y s PHE 83 N -2.65 -0.59 -0.44 4.83 5.36 -0.99 -2.44 117.98 121.05 1r4y s PHE 83 Ca 0.49 1.30 -0.28 0.00 -0.96 0.00 0.00 56.93 57.48 1r4y s PHE 83 Cb -0.10 0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 1r4y s PHE 83 CO 0.40 -0.32 1.49 -1.25 -1.46 0.00 0.00 175.22 174.08 1r4y s PRO 84 N 1.13 3.44 -0.34 10.12 0.04 -1.26 -1.53 135.00 146.59 1r4y s PRO 84 Ca -0.07 0.89 -0.07 0.00 0.04 0.00 0.00 61.00 61.79 1r4y s PRO 84 Cb -0.07 -4.09 0.04 0.00 0.04 0.00 0.00 34.50 30.42 1r4y s PRO 84 CO -0.10 -1.74 0.11 -0.08 0.04 0.00 0.00 177.00 175.23 1r4y s THR 85 N 5.96 3.86 0.55 1.26 -1.32 -1.21 -4.83 115.64 119.91 1r4y s THR 85 Ca 0.63 -1.09 -0.12 0.00 -1.21 0.00 0.00 61.69 59.90 1r4y s THR 85 Cb -0.14 -3.18 -0.05 0.00 -1.51 0.00 0.00 72.50 67.62 1r4y s THR 85 CO 0.31 -0.18 0.96 -0.36 -2.21 0.00 0.00 174.62 173.14 1r4y s PHE 86 N 1.42 3.56 0.10 9.09 0.40 -1.26 -4.83 117.98 126.46 1r4y s PHE 86 Ca -0.01 1.25 -0.10 0.00 -0.60 0.00 0.00 56.93 57.47 1r4y s PHE 86 Cb -0.19 -2.66 -0.16 0.00 0.51 0.00 0.00 43.02 40.52 1r4y s PHE 86 CO 0.03 -0.49 1.25 -1.00 0.70 0.00 0.00 175.22 175.71 1r4y h PRO 87 N 0.23 0.59 -1.38 0.24 0.13 -1.95 -3.16 132.00 126.71 1r4y h PRO 87 Ca -0.45 -0.62 0.40 0.00 -0.87 0.00 0.00 66.00 64.46 1r4y h PRO 87 Cb 1.19 0.17 -0.07 0.00 0.13 0.00 0.00 31.00 32.42 1r4y h PRO 87 CO 0.62 1.23 0.98 -0.44 -0.23 0.00 0.00 178.00 180.16 1r4y h ASP 88 N 0.34 0.06 0.00 1.44 3.32 -1.95 -3.45 116.42 116.18 1r4y h ASP 88 Ca -0.10 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1r4y h ASP 88 Cb 1.61 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.17 1r4y h ASP 88 CO 0.18 -0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.31 1r4y n GLY 89 N -1.77 0.95 3.73 2.75 0.00 -1.19 -5.01 105.19 104.64 1r4y n GLY 89 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.50 2.97 -0.66 1.61 -3.43 -1.26 -4.87 115.29 106.15 1r4y s HIS 90 Ca 0.00 0.60 -0.26 0.00 -0.80 0.00 0.00 55.06 54.60 1r4y s HIS 90 Cb 0.00 -4.00 -0.12 0.00 -1.43 0.00 0.00 32.58 27.03 1r4y s HIS 90 CO 0.00 -3.64 2.43 -3.47 -2.00 0.00 0.00 174.74 168.06 1r4y n ASP 91 N 3.59 1.78 -4.38 7.38 -0.08 -1.26 -4.73 116.55 118.85 1r4y n ASP 91 Ca 0.13 -0.76 -0.44 0.00 -1.51 0.00 0.00 54.79 52.21 1r4y n ASP 91 Cb 0.37 -1.50 -0.01 0.00 2.34 0.00 0.00 41.12 42.33 1r4y n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r4y n TYR 92 N 15.81 -1.08 -1.05 -0.67 9.36 -1.26 -4.79 117.16 133.47 1r4y n TYR 92 Ca 0.44 0.74 -0.31 0.00 3.32 0.00 0.00 57.90 62.09 1r4y n TYR 92 Cb 0.44 -1.90 -0.02 0.00 -0.63 0.00 0.00 39.34 37.23 1r4y n TYR 92 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1r4y n LYS 93 N 1.06 2.73 0.00 2.98 2.85 -1.26 -4.46 118.16 122.06 1r4y n LYS 93 Ca 0.14 -1.85 0.12 0.00 -1.05 0.00 0.00 58.31 55.67 1r4y n LYS 93 Cb 0.34 -2.67 0.64 0.00 -0.65 0.00 0.00 35.03 32.69 1r4y n LYS 93 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1r4y n PHE 94 N 4.31 0.00 -0.05 5.58 1.16 -1.26 -3.53 117.46 123.67 1r4y n PHE 94 Ca 0.59 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 56.15 1r4y n PHE 94 Cb 0.20 -0.21 -0.12 0.00 -1.61 0.00 0.00 39.48 37.75 1r4y n PHE 94 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1r4y n ASP 95 N -1.21 1.43 -4.37 5.98 -0.08 -1.26 -3.06 116.55 113.97 1r4y n ASP 95 Ca 0.13 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.99 1r4y n ASP 95 Cb 0.16 1.19 -0.09 0.00 2.34 0.00 0.00 41.12 44.72 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 -4.40 5.97 0.26 1.67 0.01 -1.23 -1.93 113.70 114.05 1r4y s SER 96 Ca -0.07 -1.25 0.05 0.00 1.31 0.00 0.00 55.95 55.99 1r4y s SER 96 Cb 0.07 -2.11 0.32 0.00 0.21 0.00 0.00 66.02 64.51 1r4y s SER 96 CO 0.62 -0.55 1.61 0.07 0.41 0.00 0.00 173.24 175.39 1r4y h LYS 97 N 8.61 0.25 -4.09 12.44 2.10 -1.83 -3.37 116.57 130.68 1r4y h LYS 97 Ca -0.27 -0.15 -0.55 0.00 -2.00 0.00 0.00 60.65 57.68 1r4y h LYS 97 Cb 1.10 0.01 -0.38 0.00 -0.90 0.00 0.00 32.23 32.07 1r4y h LYS 97 CO 0.80 0.72 -0.79 0.21 -2.00 0.00 0.00 179.45 178.39 1r4y s LYS 98 N -3.92 1.33 1.08 0.07 2.20 -1.26 -2.91 119.74 116.33 1r4y s LYS 98 Ca -0.04 -0.56 -0.16 0.00 -0.36 0.00 0.00 55.97 54.85 1r4y s LYS 98 Cb 0.12 -2.08 0.23 0.00 -1.51 0.00 0.00 37.83 34.59 1r4y s LYS 98 CO 0.79 -0.48 1.13 -1.25 -0.36 0.00 0.00 175.35 175.17 1r4y s PRO 99 N 1.64 -0.22 -0.05 4.03 0.04 -1.26 -5.15 135.00 134.02 1r4y s PRO 99 Ca -0.00 0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.18 1r4y s PRO 99 Cb -0.16 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1r4y s PRO 99 CO -0.07 -3.08 -0.05 0.15 0.04 0.00 0.00 177.00 173.98 1r4y s LYS 100 N -5.28 0.94 -0.15 4.56 -0.14 -1.14 -4.79 119.74 113.73 1r4y s LYS 100 Ca 0.68 -0.13 -0.10 0.00 -1.36 0.00 0.00 55.97 55.07 1r4y s LYS 100 Cb -0.13 -0.95 -0.05 0.00 -1.68 0.00 0.00 37.83 35.03 1r4y s LYS 100 CO 0.56 -0.10 0.18 -2.00 -0.76 0.00 0.00 175.35 173.23 1r4y s GLU 101 N 1.01 3.92 0.08 1.68 2.12 -1.26 -5.05 118.70 121.21 1r4y s GLU 101 Ca -0.09 -0.10 -0.36 0.00 0.36 0.00 0.00 54.97 54.78 1r4y s GLU 101 Cb -0.14 -3.33 -0.18 0.00 0.26 0.00 0.00 34.13 30.74 1r4y s GLU 101 CO -0.00 0.48 1.07 -1.71 -0.54 0.00 0.00 175.26 174.56 1r4y n ASN 102 N 2.88 0.45 -3.19 -1.70 5.15 -1.26 -4.96 115.26 112.63 1r4y n ASN 102 Ca -0.17 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.96 1r4y n ASN 102 Cb 0.53 -1.04 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 1r4y n ASN 102 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r4y n PRO 103 N 1.70 0.15 -4.42 1.20 -0.04 -1.26 -5.09 135.00 127.23 1r4y n PRO 103 Ca 0.18 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.43 1r4y n PRO 103 Cb 0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.52 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 -1.56 1.72 0.05 0.55 0.00 -1.26 -5.05 107.32 101.77 1r4y s GLY 104 Ca 0.00 -1.82 -0.17 0.00 0.00 0.00 0.00 44.72 42.73 1r4y s GLY 104 CO 0.00 -1.87 1.24 -0.56 0.00 0.00 0.00 173.10 171.91 1r4y h PRO 105 N 2.36 0.55 -6.53 2.90 0.13 -1.93 -3.44 132.00 126.04 1r4y h PRO 105 Ca -0.39 -0.44 -0.52 0.00 -0.87 0.00 0.00 66.00 63.78 1r4y h PRO 105 Cb 1.24 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1r4y h PRO 105 CO 0.63 1.06 0.35 0.00 -0.23 0.00 0.00 178.00 179.80 1r4y s ALA 106 N -3.72 3.24 0.02 -0.56 0.00 -1.26 -4.06 121.76 115.43 1r4y s ALA 106 Ca -0.13 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 1r4y s ALA 106 Cb 0.06 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 1r4y s ALA 106 CO 0.83 -0.04 -0.02 1.03 0.00 0.00 0.00 175.76 177.56 1r4y s ARG 107 N 0.11 0.33 -0.28 0.00 0.52 -0.45 -3.34 118.95 115.85 1r4y s ARG 107 Ca 0.47 -0.61 -0.21 0.00 -0.52 0.00 0.00 55.73 54.86 1r4y s ARG 107 Cb -0.23 0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.35 1r4y s ARG 107 CO 0.29 -0.06 0.66 0.54 0.02 0.00 0.00 175.30 176.76 1r4y s VAL 108 N -1.51 4.93 -0.26 3.52 0.11 -0.58 -1.55 120.40 125.05 1r4y s VAL 108 Ca -0.15 1.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.91 1r4y s VAL 108 Cb -0.09 -4.00 -0.01 0.00 -1.53 0.00 0.00 36.38 30.75 1r4y s VAL 108 CO -0.01 -0.07 0.07 -0.63 -3.33 0.00 0.00 175.10 171.13 1r4y s ILE 109 N 2.62 4.13 0.04 7.04 1.09 -1.04 -2.35 121.20 132.72 1r4y s ILE 109 Ca 0.27 -0.38 0.01 0.00 -1.10 0.00 0.00 60.65 59.45 1r4y s ILE 109 Cb -0.15 -3.00 -0.02 0.00 -1.06 0.00 0.00 42.46 38.23 1r4y s ILE 109 CO 0.10 0.25 -0.05 -0.72 -0.10 0.00 0.00 174.94 174.42 1r4y s TYR 110 N 1.57 0.47 0.55 3.97 -0.85 -1.05 -1.29 117.35 120.72 1r4y s TYR 110 Ca 0.05 -0.59 -0.08 0.00 -0.52 0.00 0.00 57.07 55.94 1r4y s TYR 110 Cb -0.16 -0.30 -0.03 0.00 0.38 0.00 0.00 41.96 41.85 1r4y s TYR 110 CO 0.03 -0.17 0.90 0.95 -1.52 0.00 0.00 175.55 175.74 1r4y s THR 111 N -1.77 4.63 0.18 -3.49 -4.23 -1.24 -1.08 115.64 108.65 1r4y s THR 111 Ca -0.10 0.44 0.06 0.00 -1.18 0.00 0.00 61.69 60.91 1r4y s THR 111 Cb -0.08 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 1r4y s THR 111 CO -0.01 -0.91 0.10 -0.47 -0.54 0.00 0.00 174.62 172.79 1r4y s TYR 112 N -2.96 3.04 -0.06 3.99 6.14 -0.46 -3.20 117.35 123.84 1r4y s TYR 112 Ca 0.51 -0.07 -0.26 0.00 0.64 0.00 0.00 57.07 57.89 1r4y s TYR 112 Cb -0.11 -1.44 -0.23 0.00 0.42 0.00 0.00 41.96 40.60 1r4y s TYR 112 CO 0.49 0.52 1.06 -1.00 0.64 0.00 0.00 175.55 177.26 1r4y h PRO 113 N 2.34 0.08 -5.82 4.97 0.13 -1.88 -3.40 132.00 128.42 1r4y h PRO 113 Ca -0.47 -0.07 -0.64 0.00 -0.87 0.00 0.00 66.00 63.94 1r4y h PRO 113 Cb 1.21 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1r4y h PRO 113 CO 0.61 0.79 1.47 -1.71 -0.23 0.00 0.00 178.00 178.93 1r4y n ASN 114 N -4.65 1.73 -4.41 1.44 5.15 -1.26 -4.77 115.26 108.49 1r4y n ASN 114 Ca -0.09 0.32 -0.24 0.00 -0.60 0.00 0.00 54.58 53.97 1r4y n ASN 114 Cb 0.40 -1.21 -0.10 0.00 -0.53 0.00 0.00 39.78 38.35 1r4y n ASN 114 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1r4y n LYS 115 N 8.23 0.69 -1.87 1.20 5.02 -1.19 -4.33 118.16 125.91 1r4y n LYS 115 Ca 0.46 -1.91 -0.42 0.00 -2.02 0.00 0.00 58.31 54.41 1r4y n LYS 115 Cb 0.20 -3.67 -0.00 0.00 -0.02 0.00 0.00 35.03 31.54 1r4y n LYS 115 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r4y n VAL 116 N 8.27 3.48 -1.38 -0.18 0.31 -1.22 -4.82 118.33 122.79 1r4y n VAL 116 Ca 0.43 -3.16 -0.51 0.00 -0.01 0.00 0.00 64.34 61.10 1r4y n VAL 116 Cb 0.46 -2.55 -0.13 0.00 -0.91 0.00 0.00 33.84 30.71 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 6.65 0.89 0.10 3.52 7.35 -1.26 -3.65 117.46 131.05 1r4y n PHE 117 Ca 0.51 0.57 -0.24 0.00 -0.76 0.00 0.00 57.45 57.53 1r4y n PHE 117 Cb 0.40 -2.34 -0.15 0.00 0.35 0.00 0.00 39.48 37.74 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 1.79 -0.54 3.12 0.00 0.00 -1.24 -4.97 105.19 103.34 1r4y n GLY 119 Ca -0.21 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 1.10 0.14 -0.61 -1.09 -1.26 -2.48 121.20 112.99 1r4y s ILE 120 Ca 0.00 -0.73 0.07 0.00 -2.23 0.00 0.00 60.65 57.75 1r4y s ILE 120 Cb 0.00 -0.95 -0.04 0.00 -1.58 0.00 0.00 42.46 39.90 1r4y s ILE 120 CO 0.00 0.20 -0.15 0.27 -1.23 0.00 0.00 174.94 174.03 1r4y s ILE 121 N -0.50 1.49 -0.13 2.92 -4.36 -0.60 0.35 121.20 120.37 1r4y s ILE 121 Ca 0.04 -1.78 -0.34 0.00 -0.26 0.00 0.00 60.65 58.32 1r4y s ILE 121 Cb -0.06 -1.63 0.13 0.00 1.25 0.00 0.00 42.46 42.15 1r4y s ILE 121 CO 0.00 -0.38 1.26 0.00 0.24 0.00 0.00 174.94 176.06 1r4y s ALA 122 N -2.10 -2.16 -0.84 2.27 0.00 -0.12 -1.34 121.76 117.47 1r4y s ALA 122 Ca 0.11 1.27 -0.17 0.00 0.00 0.00 0.00 51.96 53.16 1r4y s ALA 122 Cb -0.05 0.05 0.15 0.00 0.00 0.00 0.00 23.12 23.27 1r4y s ALA 122 CO 0.04 -0.78 0.95 -1.01 0.00 0.00 0.00 175.76 174.96 1r4y s HIS 123 N -2.38 3.29 -0.68 0.00 0.09 -1.25 -2.42 115.29 111.93 1r4y s HIS 123 Ca 0.11 -1.49 -0.01 0.00 -0.00 0.00 0.00 55.06 53.67 1r4y s HIS 123 Cb 0.01 -4.10 0.42 0.00 -0.00 0.00 0.00 32.58 28.91 1r4y s HIS 123 CO -0.04 -1.31 1.92 0.25 -0.00 0.00 0.00 174.74 175.56 1r4y n THR 124 N 5.03 3.47 -0.03 1.30 -2.24 -1.26 -4.20 114.28 116.34 1r4y n THR 124 Ca 0.15 -3.57 0.00 0.00 -2.27 0.00 0.00 64.05 58.36 1r4y n THR 124 Cb 0.47 -1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.76 1.17 0.06 -0.78 3.00 -1.26 -5.02 118.16 114.56 1r4y n LYS 125 Ca 0.57 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 1r4y n LYS 125 Cb 0.55 -1.33 0.00 0.00 0.00 0.00 0.00 35.03 34.25 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 -2.23 0.00 0.00 1.64 0.00 -1.26 -5.03 120.64 113.76 1r4y n GLU 126 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.04 1r4y n GLU 126 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.08 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 -2.59 0.00 -2.77 4.31 5.15 -1.26 -5.04 115.26 113.06 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 0.22 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 -2.19 0.63 0.00 1.20 1.13 -1.26 -4.76 117.38 112.13 1r4y n GLN 128 Ca 0.00 -1.95 0.00 0.00 -1.94 0.00 0.00 57.00 53.11 1r4y n GLN 128 Cb 0.00 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 28.88 1r4y n GLN 128 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r4y n GLY 129 N 2.42 1.59 3.86 1.08 0.00 -1.26 -5.11 105.19 107.77 1r4y n GLY 129 Ca 0.15 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 1.72 3.70 0.03 1.61 8.01 -1.26 -4.95 118.70 127.56 1r4y s GLU 130 Ca 0.00 0.79 -0.01 0.00 0.01 0.00 0.00 54.97 55.76 1r4y s GLU 130 Cb 0.00 -2.11 -0.04 0.00 -4.31 0.00 0.00 34.13 27.67 1r4y s GLU 130 CO 0.00 -0.46 0.17 -0.51 0.01 0.00 0.00 175.26 174.46 1r4y s LEU 131 N -4.82 4.24 0.24 1.80 1.43 -1.26 -3.97 118.68 116.34 1r4y s LEU 131 Ca 0.56 0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 53.71 1r4y s LEU 131 Cb -0.11 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.47 1r4y s LEU 131 CO 0.47 0.22 0.63 -1.59 0.23 0.00 0.00 176.35 176.31 1r4y s LYS 132 N -2.16 1.60 0.25 1.70 -2.85 -1.02 -4.96 119.74 112.31 1r4y s LYS 132 Ca 0.30 -0.92 -0.23 0.00 -1.00 0.00 0.00 55.97 54.12 1r4y s LYS 132 Cb -0.13 0.57 -0.09 0.00 -2.06 0.00 0.00 37.83 36.13 1r4y s LYS 132 CO 0.22 -0.71 0.81 -1.17 0.10 0.00 0.00 175.35 174.59 1r4y s LEU 133 N -2.90 4.37 0.00 2.77 2.96 -1.26 -0.94 118.68 123.68 1r4y s LEU 133 Ca 0.10 1.60 -0.12 0.00 -0.22 0.00 0.00 54.13 55.50 1r4y s LEU 133 Cb -0.04 -3.71 0.18 0.00 0.50 0.00 0.00 46.19 43.12 1r4y s LEU 133 CO 0.02 0.02 0.52 0.00 -1.32 0.00 0.00 176.35 175.59 1r4y s SER 135 N -2.85 3.85 0.00 0.00 1.04 -0.73 -4.92 113.70 110.10 1r4y s SER 135 Ca 0.36 -1.97 0.24 0.00 0.48 0.00 0.00 55.95 55.06 1r4y s SER 135 Cb -0.05 -0.89 0.24 0.00 0.10 0.00 0.00 66.02 65.42 1r4y s SER 135 CO 0.29 -0.36 1.29 0.00 0.98 0.00 0.00 173.24 175.43