#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5bir h ASP 3 N 7.12 0.86 -3.99 0.00 3.32 -1.10 -3.45 116.42 119.18 5bir h ASP 3 Ca 0.22 -0.51 -0.54 0.00 0.02 0.00 0.00 57.03 56.22 5bir h ASP 3 Cb 0.90 -0.25 -0.31 0.00 0.22 0.00 0.00 39.33 39.89 5bir h ASP 3 CO 1.08 1.30 -0.83 -0.31 -1.72 0.00 0.00 179.24 178.76 5bir s TYR 4 N -3.91 1.57 -0.28 4.55 2.02 -0.45 -4.91 117.35 115.95 5bir s TYR 4 Ca -0.09 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.22 5bir s TYR 4 Cb 0.10 -1.05 0.06 0.00 -0.40 0.00 0.00 41.96 40.67 5bir s TYR 4 CO 0.88 -0.12 -0.07 0.99 -1.57 0.00 0.00 175.55 175.66 5bir s THR 5 N -0.05 2.36 -0.77 -0.71 2.01 0.27 -0.56 115.64 118.19 5bir s THR 5 Ca -0.01 -1.64 -0.07 0.00 0.31 0.00 0.00 61.69 60.28 5bir s THR 5 Cb -0.10 -2.41 0.20 0.00 0.01 0.00 0.00 72.50 70.20 5bir s THR 5 CO 0.01 -0.09 0.65 0.00 -0.69 0.00 0.00 174.62 174.50 5bir n GLY 7 N 3.42 1.15 0.45 0.00 0.00 -1.26 -1.25 105.19 107.70 5bir n GLY 7 Ca 0.13 0.29 0.05 0.00 0.00 0.00 0.00 46.02 46.49 5bir n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5bir n SER 8 N 7.79 2.10 -4.89 1.61 3.41 -1.26 -4.96 113.62 117.42 5bir n SER 8 Ca 0.00 -1.58 -0.36 0.00 -0.26 0.00 0.00 58.87 56.68 5bir n SER 8 Cb 0.00 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 5bir n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 5bir s ASN 9 N -0.88 6.39 -0.09 4.04 0.01 -0.38 -5.10 114.94 118.94 5bir s ASN 9 Ca 0.14 0.43 0.05 0.00 -0.71 0.00 0.00 52.86 52.76 5bir s ASN 9 Cb 0.09 -2.05 -0.00 0.00 0.41 0.00 0.00 41.25 39.70 5bir s ASN 9 CO 0.13 0.35 -0.24 0.00 -1.51 0.00 0.00 177.10 175.83 5bir s TYR 11 N 0.15 1.54 0.50 0.00 2.02 0.28 -4.99 117.35 116.85 5bir s TYR 11 Ca -0.13 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.24 5bir s TYR 11 Cb -0.16 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.43 5bir s TYR 11 CO 0.07 0.01 0.75 -1.54 -1.57 0.00 0.00 175.55 173.27 5bir s SER 12 N -0.70 5.74 0.38 2.29 1.04 -1.22 -0.45 113.70 120.78 5bir s SER 12 Ca 0.06 0.43 0.06 0.00 0.48 0.00 0.00 55.95 56.99 5bir s SER 12 Cb -0.07 -1.58 0.76 0.00 0.10 0.00 0.00 66.02 65.22 5bir s SER 12 CO 0.00 -0.83 1.97 0.28 0.98 0.00 0.00 173.24 175.64 5bir h SER 13 N 0.19 0.44 -0.03 7.02 0.02 -1.96 -1.84 113.55 117.38 5bir h SER 13 Ca -0.46 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.33 5bir h SER 13 Cb 1.25 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 5bir h SER 13 CO 0.58 0.43 -0.33 0.28 -1.14 0.00 0.00 176.83 176.65 5bir h SER 14 N 0.48 0.52 -0.60 3.07 0.02 -1.96 -0.70 113.55 114.38 5bir h SER 14 Ca 0.12 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 5bir h SER 14 Cb 0.15 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 5bir h SER 14 CO -0.01 0.82 0.15 0.44 -1.14 0.00 0.00 176.83 177.09 5bir h ASP 15 N 0.43 0.90 -0.49 3.07 3.32 -1.74 -2.31 116.42 119.61 5bir h ASP 15 Ca 0.05 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.75 5bir h ASP 15 Cb 0.78 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 5bir h ASP 15 CO 0.06 0.89 -0.15 0.58 -1.72 0.00 0.00 179.24 178.90 5bir h VAL 16 N 0.86 1.27 -0.27 -1.35 2.07 -1.10 -2.04 116.25 115.69 5bir h VAL 16 Ca 0.19 -1.31 -0.15 0.00 0.82 0.00 0.00 66.70 66.25 5bir h VAL 16 Cb 0.34 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 5bir h VAL 16 CO 0.00 0.46 -0.43 0.28 0.02 0.00 0.00 177.57 177.90 5bir h SER 17 N 0.87 0.71 -0.01 0.57 0.02 -1.04 -0.62 113.55 114.05 5bir h SER 17 Ca 0.13 -0.33 -0.21 0.00 -0.84 0.00 0.00 61.79 60.53 5bir h SER 17 Cb 0.72 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.06 5bir h SER 17 CO 0.06 1.05 -0.77 0.74 -1.14 0.00 0.00 176.83 176.76 5bir h THR 18 N 0.54 1.31 -0.27 -2.27 2.02 -1.38 -0.69 112.91 112.16 5bir h THR 18 Ca 0.04 -2.04 -0.10 0.00 0.77 0.00 0.00 66.41 65.08 5bir h THR 18 Cb 0.97 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 5bir h THR 18 CO 0.09 0.63 -0.22 0.00 0.37 0.00 0.00 175.52 176.39 5bir h ALA 19 N 0.68 0.40 -0.67 6.16 0.00 -1.23 -2.78 119.26 121.82 5bir h ALA 19 Ca -0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 5bir h ALA 19 Cb 1.38 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 5bir h ALA 19 CO 0.15 0.35 0.24 0.37 0.00 0.00 0.00 179.25 180.36 5bir h GLN 20 N 0.36 1.03 -0.42 0.00 4.15 -0.97 -2.35 115.11 116.91 5bir h GLN 20 Ca 0.05 -0.20 -0.05 0.00 0.77 0.00 0.00 58.65 59.21 5bir h GLN 20 Cb 0.77 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 5bir h GLN 20 CO 0.06 0.87 0.04 0.00 -1.93 0.00 0.00 178.83 177.87 5bir h ALA 21 N 1.10 1.30 -0.09 3.38 0.00 -1.15 -0.66 119.26 123.14 5bir h ALA 21 Ca 0.22 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 5bir h ALA 21 Cb 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.87 5bir h ALA 21 CO -0.01 0.48 -0.76 0.00 0.00 0.00 0.00 179.25 178.96 5bir h ALA 22 N 1.43 0.49 -0.14 0.00 0.00 -1.15 -2.61 119.26 117.27 5bir h ALA 22 Ca 0.13 -0.61 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 5bir h ALA 22 Cb 0.33 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.08 5bir h ALA 22 CO 0.01 0.74 -0.52 0.78 0.00 0.00 0.00 179.25 180.26 5bir h GLY 23 N 1.06 0.67 1.00 0.00 0.00 -1.13 -3.06 103.07 101.60 5bir h GLY 23 Ca -0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 47.33 46.37 5bir h GLY 23 CO 0.14 0.80 0.30 -1.82 0.00 0.00 0.00 176.54 175.95 5bir h TYR 24 N 0.26 0.89 -0.79 5.60 3.20 -1.19 -0.92 116.97 124.02 5bir h TYR 24 Ca -0.02 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.85 5bir h TYR 24 Cb 1.15 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 5bir h TYR 24 CO 0.10 0.67 0.49 -0.22 -1.64 0.00 0.00 178.16 177.57 5bir h LYS 25 N 0.85 0.91 -0.02 1.82 1.63 -1.52 0.02 116.57 120.27 5bir h LYS 25 Ca 0.21 -0.05 -0.15 0.00 -0.85 0.00 0.00 60.65 59.81 5bir h LYS 25 Cb 0.12 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 5bir h LYS 25 CO -0.03 0.60 -0.68 -0.07 -3.45 0.00 0.00 179.45 175.82 5bir h LEU 26 N 0.93 0.09 -0.25 5.20 3.38 -1.36 -1.79 115.31 121.52 5bir h LEU 26 Ca 0.33 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 5bir h LEU 26 Cb 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 5bir h LEU 26 CO -0.14 0.74 -0.25 -0.74 0.09 0.00 0.00 178.44 178.15 5bir h HIS 27 N 0.05 0.74 0.00 1.13 2.76 -0.54 -2.22 115.15 117.08 5bir h HIS 27 Ca -0.01 -0.22 -0.03 0.00 -2.20 0.00 0.00 60.37 57.91 5bir h HIS 27 Cb 1.21 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 30.01 5bir h HIS 27 CO 0.01 0.93 -0.14 0.93 -1.30 0.00 0.00 177.93 178.36 5bir h GLU 28 N 0.33 0.00 -0.01 5.26 3.07 -0.92 -3.04 114.58 119.27 5bir h GLU 28 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 5bir h GLU 28 Cb 0.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 5bir h GLU 28 CO 0.06 0.14 -0.17 -0.25 -1.40 0.00 0.00 179.01 177.39 5bir n ASP 29 N -3.20 1.20 0.00 1.42 8.00 -0.68 -4.93 116.55 118.36 5bir n ASP 29 Ca 0.02 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.41 5bir n ASP 29 Cb 0.47 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 5bir n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 5bir n GLY 30 N 1.28 0.41 3.90 0.44 0.00 -1.05 -5.02 105.19 105.16 5bir n GLY 30 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 5bir n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5bir s GLU 31 N -0.60 3.61 0.08 1.61 2.02 -0.86 -5.01 118.70 119.55 5bir s GLU 31 Ca 0.00 -0.10 0.04 0.00 0.02 0.00 0.00 54.97 54.93 5bir s GLU 31 Cb 0.00 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 5bir s GLU 31 CO 0.00 0.41 -0.11 0.95 0.02 0.00 0.00 175.26 176.53 5bir s THR 32 N -1.77 0.94 0.07 3.63 -4.23 -1.26 -4.31 115.64 108.71 5bir s THR 32 Ca 0.41 -1.43 0.06 0.00 -1.18 0.00 0.00 61.69 59.56 5bir s THR 32 Cb -0.12 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.57 5bir s THR 32 CO 0.26 -0.41 -0.16 0.68 -0.54 0.00 0.00 174.62 174.45 5bir s VAL 33 N -1.83 1.26 0.00 2.29 -7.23 0.23 -4.86 120.40 110.25 5bir s VAL 33 Ca 0.00 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 5bir s VAL 33 Cb -0.07 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.70 5bir s VAL 33 CO 0.01 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 5bir n GLY 34 N 1.42 -0.25 0.27 2.32 0.00 -1.26 -0.32 105.19 107.37 5bir n GLY 34 Ca -0.20 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.02 5bir n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 5bir h SER 35 N 0.00 0.69 -0.31 1.61 0.02 -1.89 -2.95 113.55 110.73 5bir h SER 35 Ca 0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 5bir h SER 35 Cb 0.00 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.35 5bir h SER 35 CO 0.00 0.83 0.00 0.59 -1.14 0.00 0.00 176.83 177.11 5bir n ASN 36 N -4.18 1.78 -3.39 3.07 3.02 -1.26 -4.97 115.26 109.34 5bir n ASN 36 Ca 0.01 -1.95 -0.11 0.00 -0.03 0.00 0.00 54.58 52.50 5bir n ASN 36 Cb 0.35 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 5bir n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 5bir n SER 37 N 0.46 -6.47 -4.77 6.41 7.64 -1.11 -4.82 113.62 110.96 5bir n SER 37 Ca 0.12 -0.47 -0.39 0.00 1.01 0.00 0.00 58.87 59.14 5bir n SER 37 Cb 0.29 -3.67 -0.06 0.00 -1.01 0.00 0.00 64.21 59.77 5bir n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 5bir s TYR 38 N -2.99 3.74 0.19 1.43 2.02 0.56 -3.50 117.35 118.81 5bir s TYR 38 Ca 0.00 1.31 -0.30 0.00 -0.37 0.00 0.00 57.07 57.72 5bir s TYR 38 Cb -0.00 -2.65 -0.08 0.00 -0.40 0.00 0.00 41.96 38.83 5bir s TYR 38 CO 0.82 0.39 0.99 -1.25 -1.57 0.00 0.00 175.55 174.93 5bir s PRO 39 N -0.42 4.74 0.43 -1.71 0.04 -1.26 -0.60 135.00 136.21 5bir s PRO 39 Ca 0.33 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.96 5bir s PRO 39 Cb -0.19 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 5bir s PRO 39 CO 0.20 0.31 0.05 -3.38 0.04 0.00 0.00 177.00 174.22 5bir s HIS 40 N -0.65 1.96 0.18 0.56 -3.43 -1.16 -4.95 115.29 107.80 5bir s HIS 40 Ca 0.45 -1.01 -0.30 0.00 -0.80 0.00 0.00 55.06 53.39 5bir s HIS 40 Cb -0.27 -1.43 -0.09 0.00 -1.43 0.00 0.00 32.58 29.37 5bir s HIS 40 CO 0.33 0.05 1.34 0.21 -2.00 0.00 0.00 174.74 174.68 5bir s LYS 41 N -3.80 4.36 -0.21 -0.38 2.20 -1.26 -0.41 119.74 120.24 5bir s LYS 41 Ca 0.22 2.08 -0.07 0.00 -0.36 0.00 0.00 55.97 57.84 5bir s LYS 41 Cb 0.05 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 33.13 5bir s LYS 41 CO 0.11 -0.32 0.05 -0.47 -0.36 0.00 0.00 175.35 174.37 5bir s TYR 42 N 0.41 3.15 -0.63 4.03 5.04 -0.54 -4.73 117.35 124.08 5bir s TYR 42 Ca 0.59 -0.17 0.24 0.00 -2.44 0.00 0.00 57.07 55.29 5bir s TYR 42 Cb -0.37 -2.13 0.34 0.00 0.35 0.00 0.00 41.96 40.15 5bir s TYR 42 CO 0.36 -0.08 1.32 -0.91 -1.34 0.00 0.00 175.55 174.90 5bir h ASN 43 N 7.35 0.00 -5.88 4.32 4.21 -1.94 -3.37 115.58 120.27 5bir h ASN 43 Ca -0.36 -0.21 -0.40 0.00 1.21 0.00 0.00 56.30 56.54 5bir h ASN 43 Cb 1.18 0.00 0.12 0.00 -1.12 0.00 0.00 38.32 38.50 5bir h ASN 43 CO 0.64 0.10 -0.70 -3.20 -1.29 0.00 0.00 177.43 172.98 5bir n ASN 44 N -2.13 -5.71 0.31 5.81 5.15 -1.26 -4.91 115.26 112.52 5bir n ASN 44 Ca 0.03 -0.58 0.20 0.00 -0.60 0.00 0.00 54.58 53.63 5bir n ASN 44 Cb 0.44 -4.91 0.94 0.00 -0.53 0.00 0.00 39.78 35.73 5bir n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 5bir h TYR 45 N -2.55 0.00 0.00 1.20 0.05 -2.00 0.24 116.97 113.91 5bir h TYR 45 Ca -0.57 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.08 5bir h TYR 45 Cb 1.37 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.09 5bir h TYR 45 CO 0.50 0.00 -0.61 0.93 -1.05 0.00 0.00 178.16 177.93 5bir h GLU 46 N 0.00 0.00 -3.22 4.88 3.07 -1.95 -3.48 114.58 113.88 5bir h GLU 46 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 5bir h GLU 46 Cb 0.27 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 28.24 5bir h GLU 46 CO 0.00 0.61 -0.28 0.41 -1.40 0.00 0.00 179.01 178.35 5bir n GLY 47 N 0.75 0.20 3.78 -3.84 0.00 0.07 -5.03 105.19 101.12 5bir n GLY 47 Ca 0.00 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 5bir n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5bir s PHE 48 N -3.13 2.90 -1.23 1.61 0.08 -1.26 -4.97 117.98 111.98 5bir s PHE 48 Ca 0.04 1.56 -0.10 0.00 0.12 0.00 0.00 56.93 58.56 5bir s PHE 48 Cb -0.02 -3.24 0.19 0.00 -0.57 0.00 0.00 43.02 39.38 5bir s PHE 48 CO 0.27 -1.23 1.65 -0.40 -0.10 0.00 0.00 175.22 175.41 5bir n ASP 49 N -0.79 5.29 -4.70 1.36 5.75 -1.26 -4.98 116.55 117.23 5bir n ASP 49 Ca 0.09 -3.09 -0.42 0.00 -0.01 0.00 0.00 54.79 51.35 5bir n ASP 49 Cb 0.50 -1.48 -0.03 0.00 -1.03 0.00 0.00 41.12 39.08 5bir n ASP 49 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 5bir s PHE 50 N 0.35 3.45 0.35 2.11 0.08 -1.26 -4.95 117.98 118.11 5bir s PHE 50 Ca 0.39 1.44 0.07 0.00 0.12 0.00 0.00 56.93 58.96 5bir s PHE 50 Cb 0.04 -3.29 0.66 0.00 -0.57 0.00 0.00 43.02 39.85 5bir s PHE 50 CO 0.01 -0.74 1.85 0.77 -0.10 0.00 0.00 175.22 177.01 5bir h SER 51 N 7.03 0.31 -2.76 1.36 0.02 -1.93 -3.45 113.55 114.13 5bir h SER 51 Ca -0.38 -0.08 -0.45 0.00 -0.84 0.00 0.00 61.79 60.05 5bir h SER 51 Cb 1.19 -0.08 0.04 0.00 0.14 0.00 0.00 62.40 63.69 5bir h SER 51 CO 0.82 0.49 -0.05 0.68 -1.14 0.00 0.00 176.83 177.64 5bir s VAL 52 N -4.66 3.51 0.26 2.27 -7.23 -1.26 -5.08 120.40 108.21 5bir s VAL 52 Ca -0.06 -0.51 -0.09 0.00 -1.81 0.00 0.00 61.98 59.51 5bir s VAL 52 Cb 0.15 -3.31 -0.07 0.00 0.56 0.00 0.00 36.38 33.71 5bir s VAL 52 CO 0.75 -0.23 0.58 -0.94 -0.31 0.00 0.00 175.10 174.95 5bir s SER 53 N -4.30 6.60 0.76 4.85 1.04 -1.26 -5.02 113.70 116.37 5bir s SER 53 Ca 0.52 0.93 -0.13 0.00 0.48 0.00 0.00 55.95 57.74 5bir s SER 53 Cb -0.10 -2.23 0.06 0.00 0.10 0.00 0.00 66.02 63.85 5bir s SER 53 CO 0.39 -0.12 1.17 -0.55 0.98 0.00 0.00 173.24 175.10 5bir s SER 54 N -2.53 4.10 0.23 7.02 0.15 -1.26 -4.65 113.70 116.76 5bir s SER 54 Ca 0.48 2.21 -0.30 0.00 0.70 0.00 0.00 55.95 59.04 5bir s SER 54 Cb -0.11 -2.57 -0.09 0.00 -1.71 0.00 0.00 66.02 61.54 5bir s SER 54 CO 0.23 -2.32 1.08 -2.16 1.20 0.00 0.00 173.24 171.27 5bir s PRO 55 N -4.21 4.64 0.03 5.44 0.04 -1.26 -4.86 135.00 134.82 5bir s PRO 55 Ca 0.70 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 63.37 5bir s PRO 55 Cb -0.25 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 5bir s PRO 55 CO 0.49 0.18 0.35 0.71 0.04 0.00 0.00 177.00 178.76 5bir s TYR 56 N -0.71 3.62 -0.03 0.56 2.02 -1.26 -3.57 117.35 117.98 5bir s TYR 56 Ca 0.46 0.76 0.03 0.00 -0.37 0.00 0.00 57.07 57.96 5bir s TYR 56 Cb -0.30 -2.13 -0.00 0.00 -0.40 0.00 0.00 41.96 39.13 5bir s TYR 56 CO 0.37 0.59 -0.13 0.71 -1.57 0.00 0.00 175.55 175.52 5bir s TYR 57 N -1.27 1.29 -0.06 2.71 2.02 0.51 -1.47 117.35 121.08 5bir s TYR 57 Ca 0.28 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.62 5bir s TYR 57 Cb -0.14 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 5bir s TYR 57 CO 0.15 -0.12 0.07 -1.83 -1.57 0.00 0.00 175.55 172.25 5bir s GLU 58 N 0.07 3.12 -0.02 -0.62 -1.05 0.46 -1.52 118.70 119.13 5bir s GLU 58 Ca -0.02 -0.38 -0.00 0.00 -0.15 0.00 0.00 54.97 54.41 5bir s GLU 58 Cb -0.09 -2.91 0.02 0.00 -0.44 0.00 0.00 34.13 30.71 5bir s GLU 58 CO 0.01 0.70 0.03 -0.46 0.95 0.00 0.00 175.26 176.49 5bir s TRP 59 N -1.05 -0.00 0.20 4.83 -0.11 0.00 -3.00 118.94 119.81 5bir s TRP 59 Ca 0.18 0.12 -0.30 0.00 1.22 0.00 0.00 56.10 57.32 5bir s TRP 59 Cb -0.12 -0.13 -0.09 0.00 -1.50 0.00 0.00 33.47 31.64 5bir s TRP 59 CO 0.08 -0.06 1.32 -2.14 -4.62 0.00 0.00 176.95 171.52 5bir s PRO 60 N 0.65 4.38 -0.15 5.86 0.02 -1.26 0.06 135.00 144.56 5bir s PRO 60 Ca -0.05 2.07 -0.04 0.00 0.02 0.00 0.00 61.00 62.99 5bir s PRO 60 Cb -0.08 -3.19 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 5bir s PRO 60 CO -0.02 -0.26 -0.02 -1.50 -0.33 0.00 0.00 177.00 174.87 5bir s ILE 61 N 0.12 4.07 -0.20 2.83 2.07 -1.10 -4.54 121.20 124.46 5bir s ILE 61 Ca 0.57 -0.30 -0.09 0.00 -1.41 0.00 0.00 60.65 59.42 5bir s ILE 61 Cb -0.37 -2.78 -0.04 0.00 0.13 0.00 0.00 42.46 39.40 5bir s ILE 61 CO 0.38 0.50 0.10 -0.76 -1.91 0.00 0.00 174.94 173.25 5bir s LEU 62 N 0.20 3.96 0.67 8.50 1.43 -1.26 -4.48 118.68 127.70 5bir s LEU 62 Ca -0.01 0.12 0.42 0.00 -1.03 0.00 0.00 54.13 53.63 5bir s LEU 62 Cb -0.13 -2.02 2.31 0.00 0.03 0.00 0.00 46.19 46.37 5bir s LEU 62 CO 0.02 0.15 2.30 0.77 0.23 0.00 0.00 176.35 179.83 5bir h SER 63 N 6.85 0.00 1.08 2.29 4.64 -1.97 -1.91 113.55 124.53 5bir h SER 63 Ca -0.38 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.84 5bir h SER 63 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 5bir h SER 63 CO 0.71 0.00 -0.45 0.77 -0.87 0.00 0.00 176.83 176.99 5bir h SER 64 N 0.00 0.00 0.00 4.97 4.64 -1.98 -3.47 113.55 117.71 5bir h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 5bir h SER 64 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 5bir h SER 64 CO -0.00 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 5bir n GLY 65 N 0.64 0.28 3.79 -0.77 0.00 -0.72 -5.06 105.19 103.35 5bir n GLY 65 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 5bir n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 5bir s ASP 66 N -2.24 6.55 -0.00 1.61 1.01 -1.26 -5.01 116.67 117.33 5bir s ASP 66 Ca 0.00 1.98 -0.19 0.00 0.71 0.00 0.00 52.55 55.05 5bir s ASP 66 Cb 0.00 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 5bir s ASP 66 CO 0.00 -0.64 0.55 -0.69 0.21 0.00 0.00 175.17 174.60 5bir s VAL 67 N -1.83 4.92 0.17 -1.27 1.01 -1.26 -4.05 120.40 118.09 5bir s VAL 67 Ca 0.63 1.14 -0.33 0.00 0.00 0.00 0.00 61.98 63.42 5bir s VAL 67 Cb -0.19 -3.88 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 5bir s VAL 67 CO 0.23 0.46 1.65 0.00 0.00 0.00 0.00 175.10 177.44 5bir n TYR 68 N 2.50 2.48 -1.55 5.22 9.36 -1.26 -4.93 117.16 128.98 5bir n TYR 68 Ca -0.09 0.16 0.04 0.00 3.32 0.00 0.00 57.90 61.33 5bir n TYR 68 Cb 0.51 -2.60 0.06 0.00 -0.63 0.00 0.00 39.34 36.68 5bir n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 5bir n SER 69 N 3.78 1.04 0.00 2.98 3.41 -1.26 -4.99 113.62 118.58 5bir n SER 69 Ca 0.17 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 5bir n SER 69 Cb 0.31 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 5bir n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 5bir n GLY 70 N -0.62 0.79 0.00 5.00 0.00 -1.26 -4.77 105.19 104.33 5bir n GLY 70 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 5bir n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5bir n GLY 71 N -0.97 1.29 3.64 -0.02 0.00 -1.26 -4.03 105.19 103.84 5bir n GLY 71 Ca 0.00 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 5bir n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 5bir s SER 72 N -1.00 6.44 0.34 1.61 0.15 -1.26 -4.85 113.70 115.14 5bir s SER 72 Ca 0.00 2.01 0.02 0.00 0.70 0.00 0.00 55.95 58.68 5bir s SER 72 Cb 0.00 -2.53 0.60 0.00 -1.71 0.00 0.00 66.02 62.38 5bir s SER 72 CO 0.00 -1.14 1.97 1.55 1.20 0.00 0.00 173.24 176.81 5bir h PRO 73 N 10.51 0.79 0.00 5.44 0.13 -1.99 -3.50 132.00 143.39 5bir h PRO 73 Ca -0.38 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 5bir h PRO 73 Cb 1.18 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 5bir h PRO 73 CO 0.97 0.58 -0.01 0.41 -0.23 0.00 0.00 178.00 179.72 5bir n GLY 74 N -1.29 -2.06 0.12 1.56 0.00 -1.26 -4.58 105.19 97.69 5bir n GLY 74 Ca 0.05 -1.42 0.12 0.00 0.00 0.00 0.00 46.02 44.78 5bir n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5bir h ALA 75 N -0.09 0.68 -3.51 4.61 0.00 -1.96 -3.49 119.26 115.51 5bir h ALA 75 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 5bir h ALA 75 Cb 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.65 5bir h ALA 75 CO 0.00 0.00 -0.68 -0.51 0.00 0.00 0.00 179.25 178.06 5bir s ASP 76 N -5.14 4.83 0.01 0.00 1.01 -1.26 -1.14 116.67 114.97 5bir s ASP 76 Ca 0.04 -0.08 -0.02 0.00 0.71 0.00 0.00 52.55 53.20 5bir s ASP 76 Cb 0.10 -1.19 -0.01 0.00 1.01 0.00 0.00 42.92 42.83 5bir s ASP 76 CO 0.73 0.29 0.02 -0.13 0.21 0.00 0.00 175.17 176.28 5bir s ARG 77 N -1.43 0.26 -0.14 8.23 1.81 0.21 -2.71 118.95 125.17 5bir s ARG 77 Ca 0.18 -0.36 -0.09 0.00 -1.72 0.00 0.00 55.73 53.73 5bir s ARG 77 Cb -0.11 0.10 -0.04 0.00 -0.45 0.00 0.00 34.95 34.44 5bir s ARG 77 CO 0.08 -0.05 0.16 0.54 -0.68 0.00 0.00 175.30 175.36 5bir s VAL 78 N -0.98 5.44 -0.21 3.52 0.11 0.11 -1.36 120.40 127.03 5bir s VAL 78 Ca -0.11 0.27 -0.00 0.00 -2.93 0.00 0.00 61.98 59.21 5bir s VAL 78 Cb -0.07 -3.46 0.02 0.00 -1.53 0.00 0.00 36.38 31.35 5bir s VAL 78 CO -0.00 0.55 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.49 5bir s VAL 79 N -0.52 2.48 0.33 2.04 1.01 -0.15 -0.82 120.40 124.78 5bir s VAL 79 Ca 0.14 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.23 5bir s VAL 79 Cb -0.12 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.06 5bir s VAL 79 CO 0.03 0.41 0.06 0.72 0.00 0.00 0.00 175.10 176.31 5bir s PHE 80 N 1.32 1.99 0.07 5.22 -0.71 -0.58 -0.81 117.98 124.48 5bir s PHE 80 Ca 0.03 -0.95 0.00 0.00 -1.04 0.00 0.00 56.93 54.97 5bir s PHE 80 Cb -0.15 -1.31 0.00 0.00 -1.21 0.00 0.00 43.02 40.36 5bir s PHE 80 CO -0.09 0.02 0.04 0.27 -1.34 0.00 0.00 175.22 174.13 5bir n ASN 81 N -0.73 1.41 0.26 1.98 0.23 -0.69 -0.36 115.26 117.36 5bir n ASN 81 Ca -0.03 -1.25 0.13 0.00 -0.53 0.00 0.00 54.58 52.91 5bir n ASN 81 Cb 0.67 0.01 0.71 0.00 -2.08 0.00 0.00 39.78 39.08 5bir n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 5bir h GLU 82 N 0.00 0.00 -0.60 -3.83 4.57 -1.82 -2.25 114.58 110.64 5bir h GLU 82 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 5bir h GLU 82 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 5bir h GLU 82 CO 0.07 0.12 0.00 0.09 -1.18 0.00 0.00 179.01 178.11 5bir n ASN 83 N -3.52 3.40 -2.80 1.04 5.03 -1.26 -4.92 115.26 112.23 5bir n ASN 83 Ca -0.01 -1.99 -0.19 0.00 0.87 0.00 0.00 54.58 53.26 5bir n ASN 83 Cb 0.26 -0.40 0.05 0.00 -1.02 0.00 0.00 39.78 38.67 5bir n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 5bir n ASN 84 N 1.37 -5.48 -4.85 6.41 4.05 -0.85 -5.01 115.26 110.90 5bir n ASN 84 Ca 0.21 -0.35 -0.37 0.00 0.45 0.00 0.00 54.58 54.53 5bir n ASN 84 Cb 0.54 -4.20 -0.06 0.00 1.23 0.00 0.00 39.78 37.30 5bir n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 5bir s GLN 85 N -5.81 3.89 -0.15 1.20 -0.21 -1.26 -4.87 119.66 112.44 5bir s GLN 85 Ca 0.37 0.36 -0.25 0.00 0.02 0.00 0.00 55.36 55.87 5bir s GLN 85 Cb -0.17 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.70 5bir s GLN 85 CO 0.46 0.63 0.82 -1.17 -2.12 0.00 0.00 175.29 173.92 5bir s LEU 86 N -1.42 4.20 -0.14 2.90 2.96 -1.26 -1.71 118.68 124.20 5bir s LEU 86 Ca 0.28 1.19 -0.17 0.00 -0.22 0.00 0.00 54.13 55.21 5bir s LEU 86 Cb -0.16 -3.23 -0.24 0.00 0.50 0.00 0.00 46.19 43.06 5bir s LEU 86 CO 0.16 -0.36 0.43 0.00 -1.32 0.00 0.00 176.35 175.25 5bir h ALA 87 N 7.26 0.23 0.00 5.97 0.00 -1.32 -3.45 119.26 127.95 5bir h ALA 87 Ca -0.31 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.47 5bir h ALA 87 Cb 1.14 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.50 5bir h ALA 87 CO 0.82 0.81 0.00 0.41 0.00 0.00 0.00 179.25 181.29 5bir n GLY 88 N 1.67 0.25 3.20 0.00 0.00 -1.11 -4.66 105.19 104.54 5bir n GLY 88 Ca -0.27 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 5bir n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5bir s VAL 89 N -2.00 2.50 0.27 1.61 1.01 -1.26 -0.98 120.40 121.55 5bir s VAL 89 Ca 0.00 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.27 5bir s VAL 89 Cb 0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 5bir s VAL 89 CO 0.00 0.51 -0.14 0.27 0.00 0.00 0.00 175.10 175.74 5bir s ILE 90 N 1.23 2.07 -0.04 2.22 -4.36 -0.46 -0.49 121.20 121.36 5bir s ILE 90 Ca 0.03 -2.26 -0.10 0.00 -0.26 0.00 0.00 60.65 58.06 5bir s ILE 90 Cb -0.14 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.25 5bir s ILE 90 CO -0.08 -0.39 0.22 0.28 0.24 0.00 0.00 174.94 175.22 5bir s THR 91 N -2.75 0.04 -0.75 8.37 -1.32 -0.06 -0.62 115.64 118.55 5bir s THR 91 Ca 0.28 -0.33 0.26 0.00 -1.21 0.00 0.00 61.69 60.69 5bir s THR 91 Cb -0.01 -0.44 0.28 0.00 -1.51 0.00 0.00 72.50 70.83 5bir s THR 91 CO 0.13 -0.18 1.79 0.00 -2.21 0.00 0.00 174.62 174.14 5bir n GLN 92 N 2.07 0.23 -2.42 7.08 6.02 -0.29 -0.62 117.38 129.45 5bir n GLN 92 Ca -0.18 0.21 -0.43 0.00 -0.01 0.00 0.00 57.00 56.59 5bir n GLN 92 Cb 0.57 -1.78 -0.02 0.00 1.02 0.00 0.00 30.24 30.03 5bir n GLN 92 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 5bir s THR 93 N -3.10 4.27 0.00 5.09 2.01 -1.26 -2.16 115.64 120.48 5bir s THR 93 Ca 0.11 1.54 0.00 0.00 0.31 0.00 0.00 61.69 63.64 5bir s THR 93 Cb 0.13 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.65 5bir s THR 93 CO 0.58 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 5bir n GLY 94 N 3.59 0.36 3.76 4.40 0.00 -1.26 -4.53 105.19 111.52 5bir n GLY 94 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 5bir n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5bir s ALA 95 N -2.10 3.47 0.29 4.61 0.00 -0.92 -4.97 121.76 122.15 5bir s ALA 95 Ca 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 5bir s ALA 95 Cb 0.00 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 5bir s ALA 95 CO 0.00 0.59 0.54 -1.54 0.00 0.00 0.00 175.76 175.36 5bir s SER 96 N -2.78 6.41 1.62 0.00 1.04 -1.26 -4.86 113.70 113.87 5bir s SER 96 Ca 0.29 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.37 5bir s SER 96 Cb -0.11 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.90 5bir s SER 96 CO 0.22 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.84 5bir n GLY 97 N -1.07 2.89 1.39 7.32 0.00 -1.26 -1.84 105.19 112.62 5bir n GLY 97 Ca -0.02 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.76 5bir n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 5bir n ASN 98 N 4.67 4.31 -4.89 1.61 3.02 -1.26 -5.00 115.26 117.71 5bir n ASN 98 Ca 0.00 -3.15 -0.29 0.00 -0.03 0.00 0.00 54.58 51.11 5bir n ASN 98 Cb 0.00 -0.63 0.07 0.00 -0.61 0.00 0.00 39.78 38.61 5bir n ASN 98 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 5bir s ASN 99 N -1.57 4.93 0.19 6.41 0.02 -0.77 -5.04 114.94 119.11 5bir s ASN 99 Ca 0.48 0.91 0.11 0.00 -1.02 0.00 0.00 52.86 53.34 5bir s ASN 99 Cb 0.39 -1.54 -0.04 0.00 0.02 0.00 0.00 41.25 40.07 5bir s ASN 99 CO 0.10 -1.64 -0.22 -0.36 0.02 0.00 0.00 177.10 175.00 5bir s PHE 100 N -3.46 2.17 0.27 2.20 0.40 -1.26 -4.37 117.98 113.93 5bir s PHE 100 Ca 0.60 -0.38 0.08 0.00 -0.60 0.00 0.00 56.93 56.63 5bir s PHE 100 Cb -0.11 -1.07 -0.05 0.00 0.51 0.00 0.00 43.02 42.30 5bir s PHE 100 CO 0.50 0.47 -0.11 0.14 0.70 0.00 0.00 175.22 176.92 5bir s VAL 101 N -1.82 1.93 0.27 -0.44 -7.23 0.21 -4.93 120.40 108.38 5bir s VAL 101 Ca 0.20 -2.22 -0.20 0.00 -1.81 0.00 0.00 61.98 57.95 5bir s VAL 101 Cb -0.07 -2.35 -0.09 0.00 0.56 0.00 0.00 36.38 34.44 5bir s VAL 101 CO 0.09 -0.38 0.78 -1.61 -0.31 0.00 0.00 175.10 173.67 5bir s GLU 102 N -3.64 4.28 0.00 4.82 2.02 -1.26 -0.88 118.70 124.03 5bir s GLU 102 Ca 0.28 0.94 -0.29 0.00 0.02 0.00 0.00 54.97 55.93 5bir s GLU 102 Cb 0.01 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 5bir s GLU 102 CO 0.12 0.32 0.93 0.00 0.02 0.00 0.00 175.26 176.64