#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 2.75 -0.30 0.00 0.11 -1.26 -4.82 120.40 116.88 1r4y s VAL 2 Ca 0.00 0.76 -0.13 0.00 -2.93 0.00 0.00 61.98 59.68 1r4y s VAL 2 Cb 0.00 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.33 1r4y s VAL 2 CO 0.00 0.18 0.26 -0.89 -3.33 0.00 0.00 175.10 171.32 1r4y s THR 3 N -1.13 5.26 0.13 5.04 2.01 -1.26 -3.34 115.64 122.35 1r4y s THR 3 Ca 0.49 0.15 -0.27 0.00 0.31 0.00 0.00 61.69 62.36 1r4y s THR 3 Cb -0.39 -3.64 -0.07 0.00 0.01 0.00 0.00 72.50 68.40 1r4y s THR 3 CO 0.52 0.13 0.86 0.26 -0.69 0.00 0.00 174.62 175.70 1r4y s TRP 4 N 1.85 3.85 -0.06 4.92 0.52 -0.03 -4.45 118.94 125.54 1r4y s TRP 4 Ca 0.09 1.69 0.03 0.00 0.02 0.00 0.00 56.10 57.93 1r4y s TRP 4 Cb -0.16 -2.90 0.01 0.00 -1.15 0.00 0.00 33.47 29.26 1r4y s TRP 4 CO 0.11 0.36 -0.15 0.99 0.02 0.00 0.00 176.95 178.28 1r4y s THR 5 N -0.55 1.31 -0.60 2.01 2.01 -1.17 -0.55 115.64 118.10 1r4y s THR 5 Ca 0.41 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.86 1r4y s THR 5 Cb -0.23 -1.16 0.28 0.00 0.01 0.00 0.00 72.50 71.40 1r4y s THR 5 CO 0.27 0.39 0.80 0.00 -0.69 0.00 0.00 174.62 175.39 1r4y n GLY 7 N 0.52 -0.60 0.00 0.00 0.00 -1.26 -4.72 105.19 99.13 1r4y n GLY 7 Ca 0.30 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -2.16 -1.65 3.30 -0.02 0.00 -1.26 -4.99 105.19 98.42 1r4y n GLY 8 Ca -0.19 0.65 -0.16 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.21 2.17 -0.42 0.99 1.43 -1.26 -5.13 118.68 116.25 1r4y s LEU 9 Ca 0.00 -1.20 -0.21 0.00 -1.03 0.00 0.00 54.13 51.69 1r4y s LEU 9 Cb 0.00 -0.21 0.02 0.00 0.03 0.00 0.00 46.19 46.03 1r4y s LEU 9 CO 0.00 -0.52 0.67 -0.76 0.23 0.00 0.00 176.35 175.97 1r4y s LEU 10 N -3.27 4.39 -0.42 1.79 1.43 -1.26 -3.86 118.68 117.48 1r4y s LEU 10 Ca 0.27 -0.18 -0.22 0.00 -1.03 0.00 0.00 54.13 52.97 1r4y s LEU 10 Cb 0.06 -2.79 0.02 0.00 0.03 0.00 0.00 46.19 43.50 1r4y s LEU 10 CO 0.07 -0.77 0.72 -0.31 0.23 0.00 0.00 176.35 176.30 1r4y s TYR 11 N 2.90 3.05 -0.05 0.29 2.02 0.29 -4.68 117.35 121.17 1r4y s TYR 11 Ca 0.25 0.17 -0.34 0.00 -0.37 0.00 0.00 57.07 56.77 1r4y s TYR 11 Cb -0.14 -3.47 -0.12 0.00 -0.40 0.00 0.00 41.96 37.83 1r4y s TYR 11 CO 0.19 -0.87 1.81 -1.71 -1.57 0.00 0.00 175.55 173.39 1r4y n ASN 12 N 6.46 3.29 -0.11 2.29 4.05 -1.26 -0.85 115.26 129.13 1r4y n ASN 12 Ca 0.01 1.00 -0.05 0.00 0.45 0.00 0.00 54.58 55.99 1r4y n ASN 12 Cb 0.48 -1.36 0.02 0.00 1.23 0.00 0.00 39.78 40.15 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 8.40 0.17 -1.03 1.20 5.75 -1.87 0.20 115.11 127.92 1r4y h GLN 13 Ca -0.48 -0.01 0.26 0.00 -0.15 0.00 0.00 58.65 58.27 1r4y h GLN 13 Cb 1.27 -0.04 -0.10 0.00 1.07 0.00 0.00 27.48 29.68 1r4y h GLN 13 CO 0.93 0.11 0.65 -0.97 -2.65 0.00 0.00 178.83 176.91 1r4y h ASN 14 N 0.17 0.50 -0.22 -0.69 -0.73 -1.89 0.19 115.58 112.92 1r4y h ASN 14 Ca 0.18 0.09 -0.15 0.00 1.87 0.00 0.00 56.30 58.29 1r4y h ASN 14 Cb 0.22 0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.83 1r4y h ASN 14 CO -0.25 0.10 -0.46 0.11 -0.37 0.00 0.00 177.43 176.55 1r4y h LYS 15 N 0.44 0.69 -0.51 6.67 1.57 -1.60 0.30 116.57 124.14 1r4y h LYS 15 Ca 0.60 -0.46 0.10 0.00 -1.87 0.00 0.00 60.65 59.02 1r4y h LYS 15 Cb 1.43 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.72 1r4y h LYS 15 CO -0.33 1.08 0.02 0.00 -0.57 0.00 0.00 179.45 179.65 1r4y h ALA 16 N 0.61 0.50 -0.02 3.86 0.00 0.23 0.52 119.26 124.97 1r4y h ALA 16 Ca 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1r4y h ALA 16 Cb 1.07 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1r4y h ALA 16 CO 0.10 -0.37 -0.20 1.05 0.00 0.00 0.00 179.25 179.83 1r4y h GLU 17 N 0.14 0.17 0.39 0.00 4.11 -1.25 -3.26 114.58 114.89 1r4y h GLU 17 Ca 0.26 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.51 1r4y h GLU 17 Cb 0.38 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1r4y h GLU 17 CO -0.40 0.85 -0.19 1.03 0.07 0.00 0.00 179.01 180.37 1r4y h SER 18 N -0.46 -0.45 -0.98 3.06 0.87 -0.10 0.52 113.55 116.01 1r4y h SER 18 Ca -0.02 -0.12 0.28 0.00 -1.23 0.00 0.00 61.79 60.69 1r4y h SER 18 Cb 0.90 0.12 -0.18 0.00 -0.44 0.00 0.00 62.40 62.80 1r4y h SER 18 CO 0.04 -0.09 0.06 -1.13 -0.53 0.00 0.00 176.83 175.18 1r4y h ASN 19 N -0.86 -0.43 0.90 6.23 -0.00 -0.14 -0.82 115.58 120.46 1r4y h ASN 19 Ca -0.05 0.28 -0.15 0.00 -0.00 0.00 0.00 56.30 56.37 1r4y h ASN 19 Cb 0.54 0.47 -0.02 0.00 -0.00 0.00 0.00 38.32 39.31 1r4y h ASN 19 CO 0.09 -0.36 -0.72 -1.28 -0.00 0.00 0.00 177.43 175.17 1r4y h SER 20 N 0.01 0.00 -0.80 1.15 0.87 -1.52 -3.29 113.55 109.98 1r4y h SER 20 Ca 0.61 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 61.31 1r4y h SER 20 Cb 1.28 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.18 1r4y h SER 20 CO -0.91 0.72 0.52 0.45 -0.53 0.00 0.00 176.83 177.08 1r4y h HIS 21 N 0.00 0.65 0.00 2.24 3.86 0.16 -2.32 115.15 119.73 1r4y h HIS 21 Ca -0.01 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 59.02 1r4y h HIS 21 Cb 1.36 -0.21 0.02 0.00 1.06 0.00 0.00 27.41 29.64 1r4y h HIS 21 CO 0.00 0.26 -0.78 0.45 0.86 0.00 0.00 177.93 178.72 1r4y h HIS 22 N 0.56 0.78 -1.45 2.45 3.86 -1.63 -3.47 115.15 116.26 1r4y h HIS 22 Ca 0.39 -0.42 -0.73 0.00 -1.16 0.00 0.00 60.37 58.45 1r4y h HIS 22 Cb 0.72 -0.09 0.04 0.00 1.06 0.00 0.00 27.41 29.14 1r4y h HIS 22 CO -0.00 1.25 0.45 0.00 0.86 0.00 0.00 177.93 180.49 1r4y n ALA 23 N -2.61 -1.50 -1.76 2.45 0.00 -0.88 -4.92 120.51 111.29 1r4y n ALA 23 Ca -0.11 0.51 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 1r4y n ALA 23 Cb 0.76 -2.02 0.01 0.00 0.00 0.00 0.00 19.45 18.20 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 1.07 3.49 -0.89 0.00 0.04 -1.26 -4.92 135.00 132.53 1r4y s PRO 24 Ca 0.90 1.94 -0.25 0.00 0.04 0.00 0.00 61.00 63.63 1r4y s PRO 24 Cb -1.09 -2.32 0.04 0.00 0.04 0.00 0.00 34.50 31.17 1r4y s PRO 24 CO 0.55 -0.82 1.39 -0.51 0.04 0.00 0.00 177.00 177.65 1r4y s LEU 25 N -3.28 3.34 0.00 -3.56 1.43 -1.26 -4.69 118.68 110.67 1r4y s LEU 25 Ca 0.67 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1r4y s LEU 25 Cb -0.33 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.33 1r4y s LEU 25 CO 0.39 -1.69 0.00 -1.20 0.23 0.00 0.00 176.35 174.08 1r4y n SER 26 N 9.23 0.00 -4.37 2.29 7.64 -1.26 -4.97 113.62 122.18 1r4y n SER 26 Ca 0.20 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.71 1r4y n SER 26 Cb 0.50 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.57 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 4.87 -1.01 6.43 2.15 -1.26 -4.14 116.67 123.70 1r4y s ASP 27 Ca 0.00 -0.43 -0.10 0.00 0.43 0.00 0.00 52.55 52.45 1r4y s ASP 27 Cb 0.00 -1.85 -0.03 0.00 -0.30 0.00 0.00 42.92 40.74 1r4y s ASP 27 CO 0.00 -0.08 0.82 0.61 -0.17 0.00 0.00 175.17 176.35 1r4y n GLY 28 N 4.86 -1.13 0.56 2.66 0.00 -0.88 -4.51 105.19 106.76 1r4y n GLY 28 Ca -0.16 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.27 0.00 -4.42 1.61 4.76 -1.26 -5.01 118.16 110.58 1r4y n LYS 29 Ca -0.08 -0.78 -0.25 0.00 -2.87 0.00 0.00 58.31 54.33 1r4y n LYS 29 Cb 0.59 -0.32 -0.10 0.00 -1.84 0.00 0.00 35.03 33.36 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 2.67 0.14 -0.18 -4.23 -1.26 -5.06 115.64 107.72 1r4y s THR 30 Ca 0.02 -2.19 -0.25 0.00 -1.18 0.00 0.00 61.69 58.09 1r4y s THR 30 Cb 0.02 -2.37 -0.00 0.00 1.34 0.00 0.00 72.50 71.48 1r4y s THR 30 CO -0.01 -0.31 1.61 1.23 -0.54 0.00 0.00 174.62 176.60 1r4y h GLY 31 N 2.46 -0.41 0.70 3.99 0.00 -0.98 -2.86 103.07 105.97 1r4y h GLY 31 Ca -0.43 0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1r4y h GLY 31 CO 0.57 -0.22 -0.34 0.23 0.00 0.00 0.00 176.54 176.79 1r4y h SER 32 N -0.36 -0.80 0.00 0.19 0.87 -0.41 -3.34 113.55 109.70 1r4y h SER 32 Ca 0.11 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1r4y h SER 32 Cb 0.55 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1r4y h SER 32 CO -0.41 -0.52 0.00 -1.20 -0.53 0.00 0.00 176.83 174.18 1r4y n SER 33 N -4.82 0.00 -4.80 6.23 7.64 -1.08 -5.01 113.62 111.77 1r4y n SER 33 Ca -0.12 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.41 1r4y n SER 33 Cb 0.37 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.51 1r4y n SER 33 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1r4y s TYR 34 N 0.00 3.39 0.80 1.43 1.51 -1.26 -3.61 117.35 119.61 1r4y s TYR 34 Ca 0.00 1.67 -0.11 0.00 -1.01 0.00 0.00 57.07 57.62 1r4y s TYR 34 Cb 0.00 -2.95 0.07 0.00 -0.11 0.00 0.00 41.96 38.96 1r4y s TYR 34 CO 0.00 -0.19 1.09 -1.25 -1.11 0.00 0.00 175.55 174.09 1r4y s PRO 35 N -2.67 2.09 0.26 -1.71 0.04 -1.26 -4.72 135.00 127.03 1r4y s PRO 35 Ca 0.58 0.93 0.02 0.00 0.04 0.00 0.00 61.00 62.57 1r4y s PRO 35 Cb -0.16 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1r4y s PRO 35 CO 0.20 -1.69 0.18 -3.38 0.04 0.00 0.00 177.00 172.36 1r4y s HIS 36 N -2.99 1.42 0.23 0.56 -3.43 -1.08 -2.07 115.29 107.94 1r4y s HIS 36 Ca 0.61 -1.47 -0.30 0.00 -0.80 0.00 0.00 55.06 53.10 1r4y s HIS 36 Cb -0.16 -0.66 -0.09 0.00 -1.43 0.00 0.00 32.58 30.24 1r4y s HIS 36 CO 0.56 -0.70 1.07 -0.46 -2.00 0.00 0.00 174.74 173.21 1r4y s TRP 37 N -3.84 3.67 -0.68 0.38 -0.00 -1.26 -1.82 118.94 115.39 1r4y s TRP 37 Ca 0.39 1.71 -0.08 0.00 -0.00 0.00 0.00 56.10 58.12 1r4y s TRP 37 Cb 0.05 -3.22 0.18 0.00 -0.00 0.00 0.00 33.47 30.48 1r4y s TRP 37 CO 0.18 -0.35 0.55 0.12 -0.00 0.00 0.00 176.95 177.45 1r4y s PHE 38 N -0.83 3.54 0.40 5.86 5.36 -0.27 -4.78 117.98 127.26 1r4y s PHE 38 Ca 0.45 -2.31 0.25 0.00 -0.96 0.00 0.00 56.93 54.36 1r4y s PHE 38 Cb -0.30 -3.48 1.36 0.00 -0.34 0.00 0.00 43.02 40.26 1r4y s PHE 38 CO 0.37 -0.92 1.61 1.79 -1.46 0.00 0.00 175.22 176.61 1r4y h THR 39 N 5.22 0.09 -0.74 0.12 1.35 -1.87 -3.36 112.91 113.73 1r4y h THR 39 Ca -0.00 -0.03 -0.30 0.00 -0.55 0.00 0.00 66.41 65.53 1r4y h THR 39 Cb 1.00 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 67.31 1r4y h THR 39 CO 0.75 0.01 -0.27 -3.20 -0.25 0.00 0.00 175.52 172.57 1r4y n ASN 40 N -4.95 -5.47 0.00 5.36 5.15 -1.26 -0.23 115.26 113.86 1r4y n ASN 40 Ca 0.37 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.71 1r4y n ASN 40 Cb 1.34 -4.34 0.00 0.00 -0.53 0.00 0.00 39.78 36.24 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 0.01 3.10 3.30 8.20 0.00 -1.26 -3.76 105.19 114.78 1r4y n GLY 41 Ca -0.14 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.41 0.08 1.61 4.01 0.68 -4.39 117.16 116.74 1r4y n TYR 42 Ca 0.00 0.27 -0.15 0.00 -0.16 0.00 0.00 57.90 57.86 1r4y n TYR 42 Cb 0.00 -1.73 -0.14 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 -0.54 0.36 0.00 7.72 3.32 -1.76 -3.45 116.42 122.08 1r4y h ASP 43 Ca -0.44 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.18 1r4y h ASP 43 Cb 1.36 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1r4y h ASP 43 CO 0.37 1.35 0.00 0.61 -1.72 0.00 0.00 179.24 179.85 1r4y n GLY 44 N 1.57 -2.00 0.98 2.75 0.00 -1.26 -5.06 105.19 102.17 1r4y n GLY 44 Ca -0.11 0.66 -0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.93 0.85 -2.93 1.61 9.92 -1.26 -3.25 116.55 119.56 1r4y n ASP 45 Ca 0.00 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1r4y n ASP 45 Cb 0.00 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 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 3.38 -3.12 0.69 0.44 0.00 -1.26 -3.53 105.19 101.78 1r4y n GLY 46 Ca -0.01 -1.32 -0.06 0.00 0.00 0.00 0.00 46.02 44.63 1r4y n GLY 46 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1r4y n LYS 47 N -1.52 -2.42 -2.31 1.61 2.85 -1.26 -4.45 118.16 110.65 1r4y n LYS 47 Ca 0.00 -0.30 -0.25 0.00 -1.05 0.00 0.00 58.31 56.71 1r4y n LYS 47 Cb 0.00 -0.41 0.06 0.00 -0.65 0.00 0.00 35.03 34.03 1r4y n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1r4y s LEU 48 N 0.00 2.93 1.01 -5.58 1.02 -1.26 -3.16 118.68 113.64 1r4y s LEU 48 Ca 0.14 0.33 -0.11 0.00 0.02 0.00 0.00 54.13 54.51 1r4y s LEU 48 Cb -0.02 -3.04 0.20 0.00 0.02 0.00 0.00 46.19 43.34 1r4y s LEU 48 CO 0.12 -1.49 1.09 -2.16 0.02 0.00 0.00 176.35 173.93 1r4y s PRO 49 N -5.13 0.29 -0.45 1.29 0.04 -1.26 -4.84 135.00 124.93 1r4y s PRO 49 Ca 0.59 1.12 -0.27 0.00 0.04 0.00 0.00 61.00 62.49 1r4y s PRO 49 Cb -0.11 -1.67 -0.07 0.00 0.04 0.00 0.00 34.50 32.69 1r4y s PRO 49 CO 0.43 -2.99 2.39 1.17 0.04 0.00 0.00 177.00 178.04 1r4y n LYS 50 N -4.44 1.18 -0.44 4.56 4.81 -1.26 -3.60 118.16 118.96 1r4y n LYS 50 Ca 0.07 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1r4y n LYS 50 Cb 0.53 -3.33 0.00 0.00 0.02 0.00 0.00 35.03 32.25 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 5.99 0.33 3.23 3.14 0.00 -1.26 -5.15 105.19 111.47 1r4y n GLY 51 Ca 0.37 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.21 0.76 -0.32 1.61 6.06 -1.24 -5.14 118.95 119.48 1r4y s ARG 52 Ca 0.00 -0.52 0.02 0.00 -2.50 0.00 0.00 55.73 52.73 1r4y s ARG 52 Cb 0.00 0.33 0.09 0.00 0.06 0.00 0.00 34.95 35.43 1r4y s ARG 52 CO 0.00 -0.24 0.05 0.99 -2.50 0.00 0.00 175.30 173.60 1r4y s THR 53 N -2.46 1.71 0.52 4.11 2.01 -1.26 -5.03 115.64 115.24 1r4y s THR 53 Ca -0.06 -1.88 -0.20 0.00 0.31 0.00 0.00 61.69 59.86 1r4y s THR 53 Cb -0.01 -2.23 -0.06 0.00 0.01 0.00 0.00 72.50 70.21 1r4y s THR 53 CO -0.03 -0.55 1.15 -2.16 -0.69 0.00 0.00 174.62 172.34 1r4y s PRO 54 N 1.21 3.44 -0.02 4.92 0.04 -1.25 -4.79 135.00 138.54 1r4y s PRO 54 Ca 0.08 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1r4y s PRO 54 Cb -0.18 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 1r4y s PRO 54 CO -0.14 -0.80 1.96 0.42 0.04 0.00 0.00 177.00 178.49 1r4y s ILE 55 N -1.68 3.10 -0.02 0.56 1.01 -1.25 -4.96 121.20 117.95 1r4y s ILE 55 Ca 0.70 0.11 -0.23 0.00 0.00 0.00 0.00 60.65 61.24 1r4y s ILE 55 Cb -0.26 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 1r4y s ILE 55 CO 0.30 -0.02 0.70 -0.75 0.00 0.00 0.00 174.94 175.17 1r4y s LYS 56 N 4.71 4.43 -0.06 2.79 2.47 -1.26 -4.87 119.74 127.94 1r4y s LYS 56 Ca 0.88 0.90 0.02 0.00 -1.56 0.00 0.00 55.97 56.22 1r4y s LYS 56 Cb -0.40 -3.40 -0.05 0.00 -1.46 0.00 0.00 37.83 32.52 1r4y s LYS 56 CO 0.39 0.19 -0.03 1.19 0.16 0.00 0.00 175.35 177.25 1r4y n PHE 57 N 3.29 0.00 0.00 4.03 3.72 -1.26 -4.99 117.46 122.25 1r4y n PHE 57 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1r4y n PHE 57 Cb 0.51 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 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 2.99 0.53 3.79 1.37 0.00 -1.26 -5.09 105.19 107.52 1r4y n GLY 58 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.98 3.80 0.00 1.61 -0.14 -1.26 -5.00 119.74 117.78 1r4y s LYS 59 Ca 0.00 -0.19 0.13 0.00 -1.36 0.00 0.00 55.97 54.55 1r4y s LYS 59 Cb 0.00 -3.28 0.59 0.00 -1.68 0.00 0.00 37.83 33.45 1r4y s LYS 59 CO 0.00 0.53 1.40 -1.13 -0.76 0.00 0.00 175.35 175.38 1r4y n SER 60 N 2.79 0.00 -0.08 2.83 3.41 -1.26 -1.35 113.62 119.96 1r4y n SER 60 Ca -0.18 0.38 -0.14 0.00 -0.26 0.00 0.00 58.87 58.68 1r4y n SER 60 Cb 0.53 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 1r4y n SER 60 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1r4y h ASP 61 N 0.00 0.00 1.45 4.04 3.32 -1.94 -2.54 116.42 120.75 1r4y h ASP 61 Ca 0.00 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1r4y h ASP 61 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1r4y h ASP 61 CO 0.00 1.06 0.00 0.00 -1.72 0.00 0.00 179.24 178.58 1r4y h ASP 63 N 0.00 0.05 -3.68 0.00 3.58 -1.39 -3.48 116.42 111.51 1r4y h ASP 63 Ca 0.00 -0.08 -0.55 0.00 0.42 0.00 0.00 57.03 56.82 1r4y h ASP 63 Cb 0.73 -0.02 0.18 0.00 1.72 0.00 0.00 39.33 41.94 1r4y h ASP 63 CO 0.00 1.06 -0.01 -2.11 -2.88 0.00 0.00 179.24 175.30 1r4y n ARG 64 N -3.20 0.39 -2.11 0.28 1.85 -0.96 -4.95 116.66 107.97 1r4y n ARG 64 Ca -0.11 0.19 -0.41 0.00 -1.00 0.00 0.00 57.85 56.51 1r4y n ARG 64 Cb 1.01 -2.14 -0.02 0.00 -1.05 0.00 0.00 32.46 30.26 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 -3.30 4.34 1.19 2.89 0.04 -1.26 -4.98 135.00 133.91 1r4y s PRO 65 Ca 0.71 2.20 -0.17 0.00 0.04 0.00 0.00 61.00 63.78 1r4y s PRO 65 Cb -0.33 -3.12 0.28 0.00 0.04 0.00 0.00 34.50 31.37 1r4y s PRO 65 CO 0.53 -0.28 1.06 -1.25 0.04 0.00 0.00 177.00 177.10 1r4y s PRO 66 N -0.87 -1.11 -0.28 0.56 0.04 -1.23 -4.76 135.00 127.35 1r4y s PRO 66 Ca 0.54 0.23 0.18 0.00 0.04 0.00 0.00 61.00 62.00 1r4y s PRO 66 Cb -0.40 -1.58 0.49 0.00 0.04 0.00 0.00 34.50 33.05 1r4y s PRO 66 CO 0.46 -3.70 1.12 1.63 0.04 0.00 0.00 177.00 176.55 1r4y n LYS 67 N -4.81 2.25 -1.46 4.56 4.76 -1.26 -4.50 118.16 117.70 1r4y n LYS 67 Ca 0.09 -3.70 -0.36 0.00 -2.87 0.00 0.00 58.31 51.47 1r4y n LYS 67 Cb 0.58 -1.78 0.09 0.00 -1.84 0.00 0.00 35.03 32.08 1r4y n LYS 67 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1r4y n HIS 68 N -0.58 1.27 -3.68 2.13 -0.00 -1.20 -4.45 115.22 108.71 1r4y n HIS 68 Ca 0.18 0.41 -0.03 0.00 -0.00 0.00 0.00 57.72 58.28 1r4y n HIS 68 Cb 0.84 -2.16 -0.01 0.00 -0.00 0.00 0.00 29.99 28.67 1r4y n HIS 68 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1r4y n SER 69 N -2.03 -0.30 -3.71 0.26 2.88 -1.26 -4.69 113.62 104.77 1r4y n SER 69 Ca 0.14 -1.42 -0.42 0.00 -1.33 0.00 0.00 58.87 55.84 1r4y n SER 69 Cb 0.49 0.56 -0.01 0.00 -0.75 0.00 0.00 64.21 64.51 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 -0.13 2.73 0.00 -1.46 4.76 -1.26 -3.79 118.16 119.01 1r4y n LYS 70 Ca 0.00 -2.51 0.00 0.00 -2.87 0.00 0.00 58.31 52.93 1r4y n LYS 70 Cb 0.13 -3.24 0.00 0.00 -1.84 0.00 0.00 35.03 30.08 1r4y n LYS 70 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1r4y n ASP 71 N 6.19 0.00 0.00 4.39 2.03 -1.26 -5.01 116.55 122.89 1r4y n ASP 71 Ca 0.52 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1r4y n ASP 71 Cb 0.39 0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 -1.13 2.44 0.41 0.27 0.00 -1.25 -4.82 105.19 101.10 1r4y n GLY 72 Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 1.73 0.00 1.61 0.23 -1.26 -4.44 115.26 113.12 1r4y n ASN 73 Ca 0.00 -1.36 0.00 0.00 -0.53 0.00 0.00 54.58 52.69 1r4y n ASN 73 Cb 0.00 0.32 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 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 1.00 1.58 0.00 4.83 0.00 -1.26 -1.23 105.19 110.11 1r4y n GLY 74 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 10.08 0.00 -0.02 1.61 5.02 -1.26 -4.77 118.16 128.82 1r4y n LYS 75 Ca 0.00 0.05 0.01 0.00 -2.02 0.00 0.00 58.31 56.35 1r4y n LYS 75 Cb 0.00 -0.81 0.01 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 -0.65 0.92 0.00 -0.18 5.66 -1.22 -5.07 114.28 113.74 1r4y n THR 76 Ca 0.00 -0.96 0.00 0.00 -3.05 0.00 0.00 64.05 60.04 1r4y n THR 76 Cb 0.00 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 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 -0.51 0.00 -0.37 1.09 -0.08 -0.36 -4.58 116.55 111.73 1r4y n ASP 77 Ca 0.02 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.32 1r4y n ASP 77 Cb 0.34 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.87 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 0.00 0.25 -0.93 -0.67 1.44 -1.26 -4.62 115.22 109.43 1r4y n HIS 78 Ca 0.00 -0.12 -0.35 0.00 -2.01 0.00 0.00 57.72 55.24 1r4y n HIS 78 Cb 0.00 -0.03 0.07 0.00 0.12 0.00 0.00 29.99 30.15 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 -0.00 -3.40 -2.95 -1.40 4.11 -1.26 -2.50 117.16 109.76 1r4y n TYR 79 Ca 0.05 0.16 -0.33 0.00 -0.00 0.00 0.00 57.90 57.79 1r4y n TYR 79 Cb 0.18 -1.52 -0.06 0.00 -0.00 0.00 0.00 39.34 37.95 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 5.13 3.98 -0.05 -3.48 1.43 -1.26 -0.61 118.68 123.82 1r4y s LEU 80 Ca 0.45 1.46 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 1r4y s LEU 80 Cb -0.13 -4.30 0.02 0.00 0.03 0.00 0.00 46.19 41.80 1r4y s LEU 80 CO 0.75 -0.30 -0.07 -0.76 0.23 0.00 0.00 176.35 176.20 1r4y s LEU 81 N -3.17 1.48 0.26 1.79 1.43 0.30 -1.12 118.68 119.67 1r4y s LEU 81 Ca 0.58 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1r4y s LEU 81 Cb -0.10 -0.57 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 1r4y s LEU 81 CO 0.17 -0.01 0.50 -1.83 0.23 0.00 0.00 176.35 175.40 1r4y s GLU 82 N 0.75 3.58 -0.14 1.70 1.03 -0.75 -2.49 118.70 122.37 1r4y s GLU 82 Ca -0.12 -0.15 -0.07 0.00 0.03 0.00 0.00 54.97 54.66 1r4y s GLU 82 Cb -0.14 -2.71 0.06 0.00 -0.80 0.00 0.00 34.13 30.53 1r4y s GLU 82 CO 0.01 0.27 0.33 0.12 -1.33 0.00 0.00 175.26 174.66 1r4y s PHE 83 N -2.03 -0.50 -0.79 4.83 5.36 -0.93 -2.63 117.98 121.29 1r4y s PHE 83 Ca 0.42 1.09 -0.25 0.00 -0.96 0.00 0.00 56.93 57.22 1r4y s PHE 83 Cb -0.11 0.14 -0.02 0.00 -0.34 0.00 0.00 43.02 42.69 1r4y s PHE 83 CO 0.30 -0.32 1.81 -1.25 -1.46 0.00 0.00 175.22 174.30 1r4y s PRO 84 N 1.66 2.73 -0.36 10.12 0.04 -1.26 -1.77 135.00 146.17 1r4y s PRO 84 Ca -0.07 -0.01 -0.18 0.00 0.04 0.00 0.00 61.00 60.79 1r4y s PRO 84 Cb -0.10 -4.75 -0.00 0.00 0.04 0.00 0.00 34.50 29.69 1r4y s PRO 84 CO -0.11 -2.91 0.49 -0.08 0.04 0.00 0.00 177.00 174.43 1r4y s THR 85 N 8.85 5.04 0.47 1.26 -1.32 -1.22 -4.89 115.64 123.82 1r4y s THR 85 Ca 0.64 0.21 -0.15 0.00 -1.21 0.00 0.00 61.69 61.18 1r4y s THR 85 Cb -0.08 -3.96 -0.08 0.00 -1.51 0.00 0.00 72.50 66.87 1r4y s THR 85 CO 0.08 -0.23 0.90 -0.36 -2.21 0.00 0.00 174.62 172.80 1r4y s PHE 86 N 2.32 3.45 0.18 9.09 0.40 -1.26 -4.80 117.98 127.36 1r4y s PHE 86 Ca 0.17 1.32 -0.02 0.00 -0.60 0.00 0.00 56.93 57.80 1r4y s PHE 86 Cb -0.16 -2.67 0.06 0.00 0.51 0.00 0.00 43.02 40.77 1r4y s PHE 86 CO 0.13 -0.25 1.44 -1.00 0.70 0.00 0.00 175.22 176.24 1r4y h PRO 87 N 1.11 0.42 -0.93 0.24 0.13 -1.96 -3.15 132.00 127.86 1r4y h PRO 87 Ca -0.47 -0.33 0.26 0.00 -0.87 0.00 0.00 66.00 64.59 1r4y h PRO 87 Cb 1.18 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1r4y h PRO 87 CO 0.62 0.97 0.66 -0.44 -0.23 0.00 0.00 178.00 179.58 1r4y h ASP 88 N 0.29 0.07 0.00 1.44 5.19 -1.95 -3.43 116.42 118.03 1r4y h ASP 88 Ca -0.03 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1r4y h ASP 88 Cb 1.29 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1r4y h ASP 88 CO 0.12 0.02 0.00 0.61 -3.12 0.00 0.00 179.24 176.88 1r4y n GLY 89 N -1.68 0.54 3.73 2.75 0.00 -1.19 -5.01 105.19 104.32 1r4y n GLY 89 Ca 0.20 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1r4y n GLY 89 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1r4y s HIS 90 N -2.00 2.93 -0.59 1.61 -3.43 -1.26 -4.91 115.29 107.64 1r4y s HIS 90 Ca 0.00 0.67 -0.27 0.00 -0.80 0.00 0.00 55.06 54.66 1r4y s HIS 90 Cb 0.00 -4.00 -0.10 0.00 -1.43 0.00 0.00 32.58 27.05 1r4y s HIS 90 CO 0.00 -3.57 2.46 -3.47 -2.00 0.00 0.00 174.74 168.16 1r4y n ASP 91 N 3.17 1.96 -4.55 7.38 2.03 -1.26 -4.73 116.55 120.54 1r4y n ASP 91 Ca 0.11 -0.45 -0.48 0.00 0.52 0.00 0.00 54.79 54.49 1r4y n ASP 91 Cb 0.38 -1.48 -0.03 0.00 -0.72 0.00 0.00 41.12 39.26 1r4y n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r4y n TYR 92 N 15.19 0.95 -0.98 -0.67 9.36 -1.26 -4.88 117.16 134.87 1r4y n TYR 92 Ca 0.42 0.76 -0.28 0.00 3.32 0.00 0.00 57.90 62.12 1r4y n TYR 92 Cb 0.46 -2.20 -0.03 0.00 -0.63 0.00 0.00 39.34 36.93 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 1.27 2.72 0.15 2.98 2.85 -1.26 -4.48 118.16 122.39 1r4y n LYS 93 Ca 0.14 -1.70 0.00 0.00 -1.05 0.00 0.00 58.31 55.70 1r4y n LYS 93 Cb 0.26 -2.54 0.22 0.00 -0.65 0.00 0.00 35.03 32.32 1r4y n LYS 93 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1r4y h PHE 94 N 5.50 0.00 -0.01 5.58 -5.15 -1.89 -3.24 116.94 117.73 1r4y h PHE 94 Ca 0.62 0.00 -0.25 0.00 -0.20 0.00 0.00 57.97 58.14 1r4y h PHE 94 Cb 0.31 0.00 0.02 0.00 0.22 0.00 0.00 35.95 36.49 1r4y h PHE 94 CO 1.90 0.55 -0.99 0.22 -2.00 0.00 0.00 178.31 177.98 1r4y h ASP 95 N 0.00 0.82 -3.25 -0.68 1.82 -1.86 0.33 116.42 113.61 1r4y h ASP 95 Ca -0.01 -0.65 -0.56 0.00 -0.39 0.00 0.00 57.03 55.43 1r4y h ASP 95 Cb 1.01 -0.25 -0.06 0.00 0.68 0.00 0.00 39.33 40.71 1r4y h ASP 95 CO 0.07 1.45 1.02 -0.55 -1.61 0.00 0.00 179.24 179.62 1r4y s SER 96 N -7.22 6.38 0.23 2.28 0.15 -1.22 -2.18 113.70 112.11 1r4y s SER 96 Ca -0.09 0.42 -0.08 0.00 0.70 0.00 0.00 55.95 56.90 1r4y s SER 96 Cb 0.08 -2.55 0.20 0.00 -1.71 0.00 0.00 66.02 62.04 1r4y s SER 96 CO 0.91 -1.48 1.89 0.07 1.20 0.00 0.00 173.24 175.83 1r4y h LYS 97 N 10.18 1.16 -3.14 5.44 2.10 -1.85 -3.28 116.57 127.19 1r4y h LYS 97 Ca -0.26 -0.08 -0.21 0.00 -2.00 0.00 0.00 60.65 58.10 1r4y h LYS 97 Cb 1.08 -0.25 -0.30 0.00 -0.90 0.00 0.00 32.23 31.85 1r4y h LYS 97 CO 1.15 0.79 -0.53 0.21 -2.00 0.00 0.00 179.45 179.06 1r4y s LYS 98 N -6.07 0.16 0.94 0.07 2.47 -1.26 -4.11 119.74 111.94 1r4y s LYS 98 Ca -0.13 0.44 -0.12 0.00 -1.56 0.00 0.00 55.97 54.60 1r4y s LYS 98 Cb 0.16 -0.12 0.15 0.00 -1.46 0.00 0.00 37.83 36.57 1r4y s LYS 98 CO 0.80 -0.15 1.09 -1.25 0.16 0.00 0.00 175.35 176.00 1r4y s PRO 99 N 1.10 0.92 0.09 4.03 0.04 -1.26 -5.16 135.00 134.76 1r4y s PRO 99 Ca -0.08 0.89 0.08 0.00 0.04 0.00 0.00 61.00 61.93 1r4y s PRO 99 Cb -0.10 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1r4y s PRO 99 CO -0.07 -2.49 -0.22 -1.59 0.04 0.00 0.00 177.00 172.68 1r4y s LYS 100 N -4.84 1.23 0.51 4.56 -2.85 -1.26 -4.78 119.74 112.31 1r4y s LYS 100 Ca 0.64 -1.12 0.04 0.00 -1.00 0.00 0.00 55.97 54.54 1r4y s LYS 100 Cb -0.19 -1.48 0.03 0.00 -2.06 0.00 0.00 37.83 34.13 1r4y s LYS 100 CO 0.58 0.36 0.71 -2.00 0.10 0.00 0.00 175.35 175.10 1r4y s GLU 101 N -1.71 2.58 0.64 1.78 2.56 -1.26 -5.10 118.70 118.19 1r4y s GLU 101 Ca 0.07 -1.03 -0.17 0.00 0.00 0.00 0.00 54.97 53.84 1r4y s GLU 101 Cb -0.10 -2.59 -0.09 0.00 2.00 0.00 0.00 34.13 33.35 1r4y s GLU 101 CO 0.04 -0.60 0.23 -1.71 -0.56 0.00 0.00 175.26 172.65 1r4y n ASN 102 N -2.18 -2.26 0.00 -1.70 5.15 -1.26 -5.03 115.26 107.98 1r4y n ASN 102 Ca 0.09 0.62 0.00 0.00 -0.60 0.00 0.00 54.58 54.68 1r4y n ASN 102 Cb 0.60 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.78 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 0.37 0.00 0.00 1.20 -0.04 -1.26 -5.05 135.00 130.22 1r4y n PRO 103 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1r4y n PRO 103 Cb 0.49 -0.44 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 1r4y n PRO 103 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r4y n GLY 104 N 1.65 4.72 0.03 0.55 0.00 -1.26 -4.76 105.19 106.12 1r4y n GLY 104 Ca 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.86 1r4y n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r4y h PRO 105 N 0.00 -0.06 -6.62 1.61 0.13 -1.94 -3.46 132.00 121.67 1r4y h PRO 105 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.61 1r4y h PRO 105 Cb 0.00 0.01 0.03 0.00 0.13 0.00 0.00 31.00 31.17 1r4y h PRO 105 CO 0.00 -0.04 0.70 0.00 -0.23 0.00 0.00 178.00 178.43 1r4y s ALA 106 N -3.03 3.57 0.04 -0.56 0.00 -1.25 -4.31 121.76 116.21 1r4y s ALA 106 Ca -0.01 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1r4y s ALA 106 Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1r4y s ALA 106 CO 0.03 -0.59 -0.06 1.03 0.00 0.00 0.00 175.76 176.17 1r4y s ARG 107 N 0.50 0.50 -0.32 0.00 0.52 -0.79 -3.43 118.95 115.92 1r4y s ARG 107 Ca 0.61 -0.82 -0.23 0.00 -0.52 0.00 0.00 55.73 54.77 1r4y s ARG 107 Cb -0.37 -0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.00 1r4y s ARG 107 CO 0.34 -0.01 0.75 0.54 0.02 0.00 0.00 175.30 176.95 1r4y s VAL 108 N -1.91 4.81 -0.31 3.52 0.11 -0.73 -1.91 120.40 123.99 1r4y s VAL 108 Ca -0.08 1.05 -0.10 0.00 -2.93 0.00 0.00 61.98 59.93 1r4y s VAL 108 Cb -0.07 -4.13 -0.01 0.00 -1.53 0.00 0.00 36.38 30.65 1r4y s VAL 108 CO -0.02 -0.27 0.15 -0.63 -3.33 0.00 0.00 175.10 171.01 1r4y s ILE 109 N 2.91 4.62 0.16 7.04 1.09 -0.88 -2.19 121.20 133.96 1r4y s ILE 109 Ca 0.31 -0.41 0.07 0.00 -1.10 0.00 0.00 60.65 59.52 1r4y s ILE 109 Cb -0.14 -3.35 -0.04 0.00 -1.06 0.00 0.00 42.46 37.86 1r4y s ILE 109 CO 0.13 0.07 -0.16 -0.72 -0.10 0.00 0.00 174.94 174.16 1r4y s TYR 110 N 1.62 1.66 0.69 3.97 -0.85 -1.04 -0.50 117.35 122.89 1r4y s TYR 110 Ca 0.05 -0.52 -0.09 0.00 -0.52 0.00 0.00 57.07 55.98 1r4y s TYR 110 Cb -0.17 -0.82 0.03 0.00 0.38 0.00 0.00 41.96 41.38 1r4y s TYR 110 CO 0.06 0.28 1.03 0.95 -1.52 0.00 0.00 175.55 176.35 1r4y s THR 111 N -2.31 3.08 0.23 -3.49 -4.23 -1.14 -0.54 115.64 107.25 1r4y s THR 111 Ca 0.15 0.11 0.08 0.00 -1.18 0.00 0.00 61.69 60.86 1r4y s THR 111 Cb -0.04 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 1r4y s THR 111 CO 0.05 -0.36 0.06 -0.47 -0.54 0.00 0.00 174.62 173.37 1r4y s TYR 112 N -3.26 2.88 0.12 3.99 6.14 0.22 -3.50 117.35 123.94 1r4y s TYR 112 Ca 0.58 -0.16 -0.13 0.00 0.64 0.00 0.00 57.07 58.00 1r4y s TYR 112 Cb -0.11 -1.32 -0.05 0.00 0.42 0.00 0.00 41.96 40.90 1r4y s TYR 112 CO 0.48 0.56 1.47 -1.00 0.64 0.00 0.00 175.55 177.70 1r4y h PRO 113 N 1.98 0.79 -5.75 4.97 0.13 -1.83 -3.42 132.00 128.88 1r4y h PRO 113 Ca -0.46 -0.38 -0.61 0.00 -0.87 0.00 0.00 66.00 63.68 1r4y h PRO 113 Cb 1.23 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1r4y h PRO 113 CO 0.60 1.01 1.51 -1.71 -0.23 0.00 0.00 178.00 179.18 1r4y n ASN 114 N -4.23 1.80 -3.37 1.44 2.85 -1.26 -4.82 115.26 107.67 1r4y n ASN 114 Ca -0.02 0.21 -0.30 0.00 -0.11 0.00 0.00 54.58 54.36 1r4y n ASN 114 Cb 0.45 -1.25 -0.05 0.00 1.24 0.00 0.00 39.78 40.18 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 8.38 1.16 -2.21 1.20 5.02 -1.23 -4.21 118.16 126.25 1r4y n LYS 115 Ca 0.45 -1.36 -0.32 0.00 -2.02 0.00 0.00 58.31 55.07 1r4y n LYS 115 Cb 0.24 -2.55 -0.04 0.00 -0.02 0.00 0.00 35.03 32.66 1r4y n LYS 115 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r4y s VAL 116 N 4.89 3.64 -0.68 -0.18 1.01 -1.26 -4.82 120.40 122.99 1r4y s VAL 116 Ca 0.45 -0.75 -0.33 0.00 0.00 0.00 0.00 61.98 61.34 1r4y s VAL 116 Cb 0.11 -4.49 -0.16 0.00 0.00 0.00 0.00 36.38 31.84 1r4y s VAL 116 CO 0.09 -1.27 2.44 0.33 0.00 0.00 0.00 175.10 176.69 1r4y n PHE 117 N 12.45 1.05 0.11 5.22 7.35 -1.26 -2.88 117.46 139.50 1r4y n PHE 117 Ca 0.41 0.37 -0.23 0.00 -0.76 0.00 0.00 57.45 57.24 1r4y n PHE 117 Cb 0.48 -2.45 -0.15 0.00 0.35 0.00 0.00 39.48 37.70 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 1.71 -0.45 3.31 0.00 0.00 -1.22 -4.91 105.19 103.63 1r4y n GLY 119 Ca -0.16 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.58 1.89 0.04 -0.61 -1.09 -1.26 -2.07 121.20 114.53 1r4y s ILE 120 Ca 0.00 -1.49 0.02 0.00 -2.23 0.00 0.00 60.65 56.94 1r4y s ILE 120 Cb 0.00 -1.67 -0.03 0.00 -1.58 0.00 0.00 42.46 39.18 1r4y s ILE 120 CO 0.00 0.10 -0.06 0.27 -1.23 0.00 0.00 174.94 174.01 1r4y s ILE 121 N -1.00 0.45 0.01 2.92 -4.36 -0.80 -0.94 121.20 117.49 1r4y s ILE 121 Ca 0.09 -1.18 -0.28 0.00 -0.26 0.00 0.00 60.65 59.02 1r4y s ILE 121 Cb -0.10 -0.71 0.10 0.00 1.25 0.00 0.00 42.46 43.01 1r4y s ILE 121 CO 0.04 -0.49 0.85 0.00 0.24 0.00 0.00 174.94 175.57 1r4y s ALA 122 N -1.78 -1.79 -0.89 2.27 0.00 -0.79 -1.89 121.76 116.89 1r4y s ALA 122 Ca -0.08 0.96 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 1r4y s ALA 122 Cb -0.07 0.45 0.13 0.00 0.00 0.00 0.00 23.12 23.63 1r4y s ALA 122 CO -0.01 -0.69 1.08 -1.01 0.00 0.00 0.00 175.76 175.13 1r4y s HIS 123 N -3.15 3.11 -0.32 0.00 3.76 -1.26 -3.19 115.29 114.25 1r4y s HIS 123 Ca 0.04 -1.34 0.01 0.00 -0.15 0.00 0.00 55.06 53.63 1r4y s HIS 123 Cb -0.01 -4.25 0.37 0.00 1.11 0.00 0.00 32.58 29.80 1r4y s HIS 123 CO -0.09 -1.47 1.72 -2.37 -0.85 0.00 0.00 174.74 171.68 1r4y n THR 124 N 5.46 2.57 -0.06 1.30 5.66 -1.26 -4.17 114.28 123.78 1r4y n THR 124 Ca 0.20 -1.45 -0.13 0.00 -3.05 0.00 0.00 64.05 59.61 1r4y n THR 124 Cb 0.48 -0.88 -0.14 0.00 -1.55 0.00 0.00 70.33 68.24 1r4y n THR 124 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1r4y n LYS 125 N -0.34 0.68 0.00 1.09 3.00 -1.26 -5.02 118.16 116.31 1r4y n LYS 125 Ca 0.37 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 1r4y n LYS 125 Cb 1.02 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 34.40 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 -3.09 0.00 0.08 1.64 0.00 -1.26 -5.03 120.64 112.98 1r4y n GLU 126 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.86 1r4y n GLU 126 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.51 1r4y n GLU 126 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1r4y n ASN 127 N -0.87 0.54 -2.75 4.31 0.23 -1.26 -5.02 115.26 110.43 1r4y n ASN 127 Ca 0.00 0.24 -0.06 0.00 -0.53 0.00 0.00 54.58 54.23 1r4y n ASN 127 Cb 0.00 -0.04 0.03 0.00 -2.08 0.00 0.00 39.78 37.69 1r4y n ASN 127 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1r4y n GLN 128 N -3.41 0.63 0.00 -3.83 6.02 -1.26 -4.78 117.38 110.75 1r4y n GLN 128 Ca 0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 57.00 55.18 1r4y n GLN 128 Cb 0.04 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 2.25 1.47 3.73 1.08 0.00 -1.26 -5.10 105.19 107.36 1r4y n GLY 129 Ca 0.13 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 1.69 2.22 -0.05 1.61 0.41 -1.26 -4.94 118.70 118.39 1r4y s GLU 130 Ca 0.00 1.66 0.04 0.00 -0.41 0.00 0.00 54.97 56.27 1r4y s GLU 130 Cb 0.00 -1.85 -0.00 0.00 -1.78 0.00 0.00 34.13 30.49 1r4y s GLU 130 CO 0.00 -1.75 -0.18 -1.17 -0.49 0.00 0.00 175.26 171.68 1r4y s LEU 131 N -5.17 1.92 0.18 1.80 2.96 -1.26 -4.03 118.68 115.08 1r4y s LEU 131 Ca 0.72 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 54.18 1r4y s LEU 131 Cb -0.27 -1.00 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 1r4y s LEU 131 CO 0.45 0.16 0.29 -1.59 -1.32 0.00 0.00 176.35 174.34 1r4y s LYS 132 N 0.05 1.22 0.29 1.98 -2.85 -1.19 -4.94 119.74 114.30 1r4y s LYS 132 Ca -0.04 -1.23 -0.28 0.00 -1.00 0.00 0.00 55.97 53.41 1r4y s LYS 132 Cb -0.12 0.38 -0.09 0.00 -2.06 0.00 0.00 37.83 35.94 1r4y s LYS 132 CO 0.02 -0.45 1.01 -1.17 0.10 0.00 0.00 175.35 174.86 1r4y s LEU 133 N -3.00 4.49 1.16 2.77 2.96 -1.26 -1.89 118.68 123.91 1r4y s LEU 133 Ca 0.20 2.05 -0.18 0.00 -0.22 0.00 0.00 54.13 55.98 1r4y s LEU 133 Cb 0.03 -3.77 0.27 0.00 0.50 0.00 0.00 46.19 43.22 1r4y s LEU 133 CO 0.03 -0.08 1.12 0.00 -1.32 0.00 0.00 176.35 176.10 1r4y s SER 135 N -3.91 2.88 0.00 0.00 1.04 -0.99 -4.86 113.70 107.85 1r4y s SER 135 Ca 0.70 -1.08 0.09 0.00 0.48 0.00 0.00 55.95 56.14 1r4y s SER 135 Cb -0.10 -0.06 0.55 0.00 0.10 0.00 0.00 66.02 66.50 1r4y s SER 135 CO 0.56 -0.42 0.99 0.00 0.98 0.00 0.00 173.24 175.35