#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4bir h ASP 3 N 6.67 0.00 -3.43 0.00 3.32 -0.69 -3.44 116.42 118.85 4bir h ASP 3 Ca -0.41 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.39 4bir h ASP 3 Cb 1.15 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.38 4bir h ASP 3 CO 0.76 0.81 -0.62 -0.31 -1.72 0.00 0.00 179.24 178.16 4bir s TYR 4 N -3.00 -0.14 -0.18 4.55 1.51 -0.85 -4.99 117.35 114.24 4bir s TYR 4 Ca 0.01 0.44 0.01 0.00 -1.01 0.00 0.00 57.07 56.52 4bir s TYR 4 Cb 0.10 -0.11 0.01 0.00 -0.11 0.00 0.00 41.96 41.86 4bir s TYR 4 CO 0.79 -0.16 -0.18 0.99 -1.11 0.00 0.00 175.55 175.88 4bir s THR 5 N 1.20 2.26 -0.34 -0.71 2.01 -1.26 -1.53 115.64 117.26 4bir s THR 5 Ca -0.09 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.07 4bir s THR 5 Cb -0.12 -1.95 0.10 0.00 0.01 0.00 0.00 72.50 70.54 4bir s THR 5 CO -0.06 0.52 0.05 0.00 -0.69 0.00 0.00 174.62 174.44 4bir n GLY 7 N 4.25 2.54 0.74 0.00 0.00 -1.26 -1.42 105.19 110.04 4bir n GLY 7 Ca 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.10 4bir n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 4bir n SER 8 N 9.97 3.08 -4.67 1.61 3.41 -1.26 -4.96 113.62 120.80 4bir n SER 8 Ca 0.00 -2.02 -0.40 0.00 -0.26 0.00 0.00 58.87 56.20 4bir n SER 8 Cb 0.00 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 4bir n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 4bir s ASN 9 N -1.01 6.72 -0.18 4.04 0.01 -0.51 -5.05 114.94 118.96 4bir s ASN 9 Ca 0.27 0.88 -0.07 0.00 -0.71 0.00 0.00 52.86 53.23 4bir s ASN 9 Cb 0.14 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 4bir s ASN 9 CO 0.18 -0.23 0.04 0.00 -1.51 0.00 0.00 177.10 175.58 4bir s TYR 11 N 0.49 1.91 0.31 0.00 2.02 -0.58 -5.03 117.35 116.47 4bir s TYR 11 Ca 0.02 -0.56 0.04 0.00 -0.37 0.00 0.00 57.07 56.20 4bir s TYR 11 Cb -0.13 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.13 4bir s TYR 11 CO 0.01 -0.18 0.46 -1.54 -1.57 0.00 0.00 175.55 172.73 4bir s SER 12 N -0.01 6.15 0.43 2.29 1.04 -1.26 0.09 113.70 122.44 4bir s SER 12 Ca -0.04 0.08 0.11 0.00 0.48 0.00 0.00 55.95 56.59 4bir s SER 12 Cb -0.12 -1.66 0.98 0.00 0.10 0.00 0.00 66.02 65.31 4bir s SER 12 CO 0.03 -0.29 2.01 0.28 0.98 0.00 0.00 173.24 176.25 4bir h SER 13 N 0.92 0.39 -0.65 7.02 0.02 -1.97 -1.08 113.55 118.21 4bir h SER 13 Ca -0.49 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.38 4bir h SER 13 Cb 1.24 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 4bir h SER 13 CO 0.58 0.26 0.08 0.77 -1.14 0.00 0.00 176.83 177.38 4bir h SER 14 N 0.45 1.05 -0.31 3.07 4.64 -1.99 -1.17 113.55 119.29 4bir h SER 14 Ca 0.22 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 4bir h SER 14 Cb 0.30 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 4bir h SER 14 CO -0.06 1.06 0.14 0.44 -0.87 0.00 0.00 176.83 177.54 4bir h ASP 15 N 1.02 0.41 -0.47 4.97 3.32 -1.60 -1.76 116.42 122.30 4bir h ASP 15 Ca 0.20 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 4bir h ASP 15 Cb 0.47 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 4bir h ASP 15 CO 0.02 0.44 -0.21 0.58 -1.72 0.00 0.00 179.24 178.35 4bir h VAL 16 N 0.36 1.27 -0.44 -1.35 2.07 -1.07 -2.55 116.25 114.55 4bir h VAL 16 Ca 0.11 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.19 4bir h VAL 16 Cb 0.14 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 4bir h VAL 16 CO -0.01 0.47 -0.02 0.28 0.02 0.00 0.00 177.57 178.31 4bir h SER 17 N 0.83 0.70 0.18 0.57 0.02 -0.88 -1.96 113.55 113.00 4bir h SER 17 Ca 0.11 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 4bir h SER 17 Cb 0.78 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.14 4bir h SER 17 CO 0.06 0.78 -0.09 0.74 -1.14 0.00 0.00 176.83 177.18 4bir h THR 18 N 0.68 0.86 0.37 -2.27 2.02 -1.32 -1.42 112.91 111.82 4bir h THR 18 Ca 0.13 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 4bir h THR 18 Cb 0.45 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 4bir h THR 18 CO 0.02 0.05 -0.41 0.00 0.37 0.00 0.00 175.52 175.54 4bir h ALA 19 N 0.46 -1.06 -0.93 6.16 0.00 -1.46 -2.85 119.26 119.59 4bir h ALA 19 Ca -0.03 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.86 4bir h ALA 19 Cb 0.26 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 4bir h ALA 19 CO 0.04 -1.09 0.59 0.37 0.00 0.00 0.00 179.25 179.16 4bir h GLN 20 N -0.79 0.82 -0.78 0.00 4.15 -1.33 -2.14 115.11 115.03 4bir h GLN 20 Ca -0.05 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 4bir h GLN 20 Cb 0.70 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 4bir h GLN 20 CO -0.07 0.54 0.48 0.00 -1.93 0.00 0.00 178.83 177.86 4bir h ALA 21 N 1.57 0.99 0.18 3.38 0.00 -1.06 -0.42 119.26 123.90 4bir h ALA 21 Ca 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 4bir h ALA 21 Cb 0.56 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.04 4bir h ALA 21 CO -0.22 0.45 -0.09 0.00 0.00 0.00 0.00 179.25 179.39 4bir h ALA 22 N 1.26 -0.24 -0.71 0.00 0.00 -1.21 -2.00 119.26 116.36 4bir h ALA 22 Ca 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 4bir h ALA 22 Cb -0.06 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 4bir h ALA 22 CO -0.06 -0.55 0.42 0.78 0.00 0.00 0.00 179.25 179.85 4bir h GLY 23 N -0.42 1.04 0.99 0.00 0.00 -1.32 -2.75 103.07 100.62 4bir h GLY 23 Ca -0.02 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 4bir h GLY 23 CO 0.04 0.43 0.06 -1.82 0.00 0.00 0.00 176.54 175.25 4bir h TYR 24 N 0.97 0.89 -0.39 5.60 3.20 -0.96 -1.86 116.97 124.42 4bir h TYR 24 Ca 0.26 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 62.03 4bir h TYR 24 Cb -0.02 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 37.97 4bir h TYR 24 CO -0.01 0.82 0.16 -0.22 -1.64 0.00 0.00 178.16 177.27 4bir h LYS 25 N 0.70 0.33 -0.82 1.82 1.63 -1.20 -1.55 116.57 117.49 4bir h LYS 25 Ca 0.15 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.97 4bir h LYS 25 Cb 0.42 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.93 4bir h LYS 25 CO 0.01 0.22 0.52 -0.07 -3.45 0.00 0.00 179.45 176.68 4bir h LEU 26 N 0.34 0.85 -0.50 5.20 3.38 -1.32 -1.21 115.31 122.05 4bir h LEU 26 Ca 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 4bir h LEU 26 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 4bir h LEU 26 CO -0.15 0.57 -0.06 -0.74 0.09 0.00 0.00 178.44 178.15 4bir h HIS 27 N 0.99 1.03 -0.73 1.13 2.76 -0.46 -1.74 115.15 118.13 4bir h HIS 27 Ca 0.34 -0.20 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 4bir h HIS 27 Cb 0.05 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 4bir h HIS 27 CO -0.03 0.97 0.34 0.93 -1.30 0.00 0.00 177.93 178.84 4bir h GLU 28 N 0.78 1.06 0.00 5.26 5.08 -0.85 -2.80 114.58 123.11 4bir h GLU 28 Ca 0.13 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 4bir h GLU 28 Cb 0.60 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.67 4bir h GLU 28 CO 0.04 0.84 0.00 -0.25 -1.00 0.00 0.00 179.01 178.64 4bir n ASP 29 N -4.39 0.00 -3.02 1.42 8.00 -0.50 -4.91 116.55 113.15 4bir n ASP 29 Ca 0.06 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.35 4bir n ASP 29 Cb 0.14 -0.30 0.05 0.00 -0.02 0.00 0.00 41.12 40.99 4bir n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 4bir n GLY 30 N 0.69 -0.41 3.43 0.44 0.00 -0.71 -5.00 105.19 103.63 4bir n GLY 30 Ca 0.10 0.11 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 4bir n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 4bir s GLU 31 N -5.88 1.56 0.08 1.61 2.56 -0.88 -5.06 118.70 112.68 4bir s GLU 31 Ca 0.40 -1.70 -0.07 0.00 0.00 0.00 0.00 54.97 53.60 4bir s GLU 31 Cb -0.18 -1.57 -0.01 0.00 2.00 0.00 0.00 34.13 34.37 4bir s GLU 31 CO 0.49 0.29 0.13 0.95 -0.56 0.00 0.00 175.26 176.56 4bir s THR 32 N -2.61 0.16 0.08 -1.70 -4.23 -1.26 -4.37 115.64 101.71 4bir s THR 32 Ca 0.27 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 4bir s THR 32 Cb -0.04 -1.36 -0.03 0.00 1.34 0.00 0.00 72.50 72.41 4bir s THR 32 CO 0.12 -0.73 -0.08 0.68 -0.54 0.00 0.00 174.62 174.07 4bir s VAL 33 N -3.81 0.69 0.00 2.29 -7.23 0.06 -4.89 120.40 107.51 4bir s VAL 33 Ca 0.05 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 4bir s VAL 33 Cb 0.05 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.77 4bir s VAL 33 CO -0.10 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.67 4bir n GLY 34 N 0.64 -1.69 0.36 2.32 0.00 -1.26 -1.68 105.19 103.87 4bir n GLY 34 Ca -0.17 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.39 4bir n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 4bir h SER 35 N 0.00 0.65 -0.55 1.61 0.02 -1.97 -1.99 113.55 111.33 4bir h SER 35 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 4bir h SER 35 Cb 0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.42 4bir h SER 35 CO 0.00 0.40 0.00 0.59 -1.14 0.00 0.00 176.83 176.68 4bir n ASN 36 N -4.50 4.10 -3.37 3.07 4.13 -1.26 -5.01 115.26 112.42 4bir n ASN 36 Ca 0.12 -2.38 -0.23 0.00 1.68 0.00 0.00 54.58 53.78 4bir n ASN 36 Cb 0.30 -0.53 0.02 0.00 -1.54 0.00 0.00 39.78 38.03 4bir n ASN 36 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 4bir n SER 37 N 0.91 -6.24 -4.80 6.41 7.64 -0.75 -4.95 113.62 111.84 4bir n SER 37 Ca 0.22 -0.20 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 4bir n SER 37 Cb 0.77 -3.06 -0.07 0.00 -1.01 0.00 0.00 64.21 60.85 4bir n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 4bir s TYR 38 N -2.35 3.33 0.64 1.43 2.02 -0.68 -4.03 117.35 117.72 4bir s TYR 38 Ca 0.20 0.23 -0.13 0.00 -0.37 0.00 0.00 57.07 57.00 4bir s TYR 38 Cb -0.03 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 4bir s TYR 38 CO 0.84 0.57 1.05 -1.25 -1.57 0.00 0.00 175.55 175.19 4bir s PRO 39 N -1.79 3.18 0.10 -1.71 0.04 -1.26 -0.76 135.00 132.81 4bir s PRO 39 Ca 0.24 1.02 -0.10 0.00 0.04 0.00 0.00 61.00 62.20 4bir s PRO 39 Cb -0.12 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.40 4bir s PRO 39 CO 0.15 -0.91 0.24 -3.38 0.04 0.00 0.00 177.00 173.14 4bir s HIS 40 N -2.83 0.12 0.37 0.56 -3.43 -1.13 -4.91 115.29 104.04 4bir s HIS 40 Ca 0.60 -0.52 -0.26 0.00 -0.80 0.00 0.00 55.06 54.07 4bir s HIS 40 Cb -0.14 -0.00 -0.12 0.00 -1.43 0.00 0.00 32.58 30.89 4bir s HIS 40 CO 0.47 -0.60 1.07 1.17 -2.00 0.00 0.00 174.74 174.86 4bir n LYS 41 N -0.11 1.52 -4.43 -0.38 4.81 -1.26 -1.80 118.16 116.51 4bir n LYS 41 Ca -0.14 0.54 -0.34 0.00 -0.87 0.00 0.00 58.31 57.50 4bir n LYS 41 Cb 0.63 -2.05 -0.14 0.00 0.02 0.00 0.00 35.03 33.48 4bir n LYS 41 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 4bir s TYR 42 N -1.18 2.88 -0.14 5.64 5.04 0.49 -4.69 117.35 125.38 4bir s TYR 42 Ca 0.60 -0.75 -0.03 0.00 -2.44 0.00 0.00 57.07 54.45 4bir s TYR 42 Cb -0.60 -1.94 -0.03 0.00 0.35 0.00 0.00 41.96 39.75 4bir s TYR 42 CO 0.59 -0.33 -0.05 -0.80 -1.34 0.00 0.00 175.55 173.62 4bir s ASN 43 N 0.75 4.72 -1.21 4.32 -0.87 -1.26 -4.24 114.94 117.15 4bir s ASN 43 Ca -0.04 -0.13 -0.06 0.00 -1.57 0.00 0.00 52.86 51.05 4bir s ASN 43 Cb -0.15 -1.72 0.21 0.00 -0.02 0.00 0.00 41.25 39.57 4bir s ASN 43 CO 0.02 0.19 1.89 -3.20 -2.57 0.00 0.00 177.10 173.42 4bir n ASN 44 N 3.40 6.34 0.25 -1.22 4.05 -1.26 -4.59 115.26 122.23 4bir n ASN 44 Ca -0.17 -3.26 0.12 0.00 0.45 0.00 0.00 54.58 51.72 4bir n ASN 44 Cb 0.53 -1.37 0.64 0.00 1.23 0.00 0.00 39.78 40.81 4bir n ASN 44 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 177.26 174.31 4bir h TYR 45 N 5.24 0.00 0.00 1.20 -0.00 -2.00 -1.72 116.97 119.69 4bir h TYR 45 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.16 4bir h TYR 45 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.25 4bir h TYR 45 CO 1.28 0.15 0.00 0.39 -0.00 0.00 0.00 178.16 179.98 4bir n GLU 46 N -3.50 0.18 -2.63 0.10 -0.58 -1.26 -4.93 120.64 108.02 4bir n GLU 46 Ca -0.01 0.04 -0.13 0.00 -0.42 0.00 0.00 57.16 56.64 4bir n GLU 46 Cb 0.31 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.69 4bir n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 4bir n GLY 47 N 1.13 -0.03 3.77 0.62 0.00 -0.65 -4.98 105.19 105.05 4bir n GLY 47 Ca 0.09 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 4bir n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4bir s PHE 48 N -2.86 2.81 -0.86 1.61 0.08 -1.26 -4.90 117.98 112.59 4bir s PHE 48 Ca 0.15 1.33 -0.25 0.00 0.12 0.00 0.00 56.93 58.28 4bir s PHE 48 Cb -0.07 -3.80 0.02 0.00 -0.57 0.00 0.00 43.02 38.61 4bir s PHE 48 CO 0.18 -2.33 1.49 0.34 -0.10 0.00 0.00 175.22 174.80 4bir s ASP 49 N -0.45 6.09 -0.12 1.36 2.15 -1.26 -4.99 116.67 119.45 4bir s ASP 49 Ca 0.53 -0.81 -0.10 0.00 0.43 0.00 0.00 52.55 52.60 4bir s ASP 49 Cb -0.42 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.60 4bir s ASP 49 CO 0.55 -1.87 0.22 -0.36 -0.17 0.00 0.00 175.17 173.55 4bir s PHE 50 N 6.28 3.56 -0.31 -5.34 0.08 -1.26 -4.97 117.98 116.02 4bir s PHE 50 Ca 0.47 0.59 0.11 0.00 0.12 0.00 0.00 56.93 58.22 4bir s PHE 50 Cb -0.05 -2.13 0.76 0.00 -0.57 0.00 0.00 43.02 41.03 4bir s PHE 50 CO 0.03 0.54 1.74 -1.13 -0.10 0.00 0.00 175.22 176.30 4bir n SER 51 N 2.57 5.16 -4.13 1.36 3.41 -1.26 -4.84 113.62 115.89 4bir n SER 51 Ca -0.16 -3.03 -0.18 0.00 -0.26 0.00 0.00 58.87 55.24 4bir n SER 51 Cb 0.53 -0.71 -0.12 0.00 -0.26 0.00 0.00 64.21 63.65 4bir n SER 51 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 4bir s VAL 52 N -2.79 0.95 0.40 -3.33 0.11 -1.26 -5.14 120.40 109.35 4bir s VAL 52 Ca 0.53 -1.10 -0.02 0.00 -2.93 0.00 0.00 61.98 58.47 4bir s VAL 52 Cb 0.41 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 4bir s VAL 52 CO 0.14 -0.16 0.64 -0.94 -3.33 0.00 0.00 175.10 171.45 4bir s SER 53 N -1.41 6.24 0.96 3.54 1.04 -1.26 -5.03 113.70 117.77 4bir s SER 53 Ca -0.02 0.60 -0.12 0.00 0.48 0.00 0.00 55.95 56.89 4bir s SER 53 Cb -0.09 -2.06 0.17 0.00 0.10 0.00 0.00 66.02 64.14 4bir s SER 53 CO 0.01 -0.43 1.09 -0.94 0.98 0.00 0.00 173.24 173.95 4bir s SER 54 N -4.08 2.85 0.60 7.02 1.04 -1.26 -4.64 113.70 115.23 4bir s SER 54 Ca 0.43 1.53 -0.17 0.00 0.48 0.00 0.00 55.95 58.22 4bir s SER 54 Cb -0.10 -2.20 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 4bir s SER 54 CO 0.39 -3.04 1.13 -2.84 0.98 0.00 0.00 173.24 169.86 4bir s PRO 55 N -4.82 3.07 0.09 4.02 0.02 -1.26 -4.84 135.00 131.27 4bir s PRO 55 Ca 0.65 1.54 0.09 0.00 0.02 0.00 0.00 61.00 63.30 4bir s PRO 55 Cb -0.20 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 4bir s PRO 55 CO 0.58 -1.07 -0.24 0.71 -0.33 0.00 0.00 177.00 176.66 4bir s TYR 56 N -2.00 2.07 0.03 6.54 2.02 -1.26 -2.41 117.35 122.34 4bir s TYR 56 Ca 0.71 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 57.06 4bir s TYR 56 Cb -0.23 -1.18 -0.02 0.00 -0.40 0.00 0.00 41.96 40.13 4bir s TYR 56 CO 0.34 0.21 -0.14 0.71 -1.57 0.00 0.00 175.55 175.09 4bir s TYR 57 N -0.97 1.23 0.09 2.71 2.02 0.19 -0.38 117.35 122.23 4bir s TYR 57 Ca 0.10 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.53 4bir s TYR 57 Cb -0.10 -0.73 -0.04 0.00 -0.40 0.00 0.00 41.96 40.69 4bir s TYR 57 CO 0.04 0.03 -0.13 -1.83 -1.57 0.00 0.00 175.55 172.09 4bir s GLU 58 N -1.05 2.08 -0.12 -0.62 -1.05 -0.75 -1.00 118.70 116.18 4bir s GLU 58 Ca 0.02 -1.03 -0.09 0.00 -0.15 0.00 0.00 54.97 53.72 4bir s GLU 58 Cb -0.08 -2.26 0.04 0.00 -0.44 0.00 0.00 34.13 31.39 4bir s GLU 58 CO 0.01 0.51 0.31 -0.46 0.95 0.00 0.00 175.26 176.59 4bir s TRP 59 N -1.13 -0.38 0.31 4.83 -0.11 -0.89 -2.82 118.94 118.75 4bir s TRP 59 Ca 0.19 0.90 -0.29 0.00 1.22 0.00 0.00 56.10 58.12 4bir s TRP 59 Cb -0.11 0.13 -0.10 0.00 -1.50 0.00 0.00 33.47 31.89 4bir s TRP 59 CO 0.11 -0.21 1.25 -2.14 -4.62 0.00 0.00 176.95 171.34 4bir s PRO 60 N 0.62 4.43 -0.10 5.86 0.02 -1.26 -0.65 135.00 143.91 4bir s PRO 60 Ca -0.04 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.11 4bir s PRO 60 Cb -0.05 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.35 4bir s PRO 60 CO -0.04 -0.09 -0.16 -1.50 -0.33 0.00 0.00 177.00 174.88 4bir s ILE 61 N -1.11 2.79 -0.05 2.83 2.07 -0.88 -4.59 121.20 122.25 4bir s ILE 61 Ca 0.48 -0.78 -0.01 0.00 -1.41 0.00 0.00 60.65 58.94 4bir s ILE 61 Cb -0.38 -2.13 -0.03 0.00 0.13 0.00 0.00 42.46 40.05 4bir s ILE 61 CO 0.49 0.55 0.01 -0.76 -1.91 0.00 0.00 174.94 173.33 4bir s LEU 62 N 0.08 3.61 0.44 8.50 1.43 -1.26 -4.20 118.68 127.28 4bir s LEU 62 Ca -0.07 0.11 0.11 0.00 -1.03 0.00 0.00 54.13 53.25 4bir s LEU 62 Cb -0.15 -1.92 1.00 0.00 0.03 0.00 0.00 46.19 45.15 4bir s LEU 62 CO 0.05 0.34 2.06 0.77 0.23 0.00 0.00 176.35 179.80 4bir h SER 63 N 4.82 0.33 0.61 2.29 4.64 -1.95 -2.21 113.55 122.07 4bir h SER 63 Ca -0.50 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 4bir h SER 63 Cb 1.19 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 4bir h SER 63 CO 0.56 0.23 0.00 -1.54 -0.87 0.00 0.00 176.83 175.21 4bir n SER 64 N -4.48 0.36 0.00 4.97 3.41 -1.26 -4.89 113.62 111.73 4bir n SER 64 Ca 0.04 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 4bir n SER 64 Cb 0.16 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 4bir n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 4bir n GLY 65 N -0.04 3.09 3.79 5.00 0.00 -0.83 -5.05 105.19 111.15 4bir n GLY 65 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 4bir n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4bir s ASP 66 N -1.14 5.81 0.27 1.61 1.01 -1.26 -5.02 116.67 117.95 4bir s ASP 66 Ca 0.00 2.01 -0.23 0.00 0.71 0.00 0.00 52.55 55.05 4bir s ASP 66 Cb 0.00 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 4bir s ASP 66 CO 0.00 -1.15 0.83 -0.69 0.21 0.00 0.00 175.17 174.37 4bir s VAL 67 N -2.04 4.40 0.16 -1.27 1.01 -1.26 -4.42 120.40 116.98 4bir s VAL 67 Ca 0.69 1.53 -0.31 0.00 0.00 0.00 0.00 61.98 63.89 4bir s VAL 67 Cb -0.20 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 4bir s VAL 67 CO 0.29 0.16 1.40 -0.47 0.00 0.00 0.00 175.10 176.48 4bir s TYR 68 N -1.59 3.20 0.00 5.22 5.04 -1.26 -4.89 117.35 123.07 4bir s TYR 68 Ca 0.47 0.99 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 4bir s TYR 68 Cb -0.17 -3.71 0.00 0.00 0.35 0.00 0.00 41.96 38.43 4bir s TYR 68 CO 0.22 -2.42 0.62 -1.13 -1.34 0.00 0.00 175.55 171.50 4bir n SER 69 N 3.44 0.78 0.00 4.32 3.41 -1.26 -5.06 113.62 119.25 4bir n SER 69 Ca 0.10 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 4bir n SER 69 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 4bir n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 4bir n GLY 70 N -0.17 1.12 6.67 5.00 0.00 -1.26 -4.68 105.19 111.86 4bir n GLY 70 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.87 4bir n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4bir n GLY 71 N -1.43 -1.99 3.67 -0.02 0.00 -1.26 -4.80 105.19 99.36 4bir n GLY 71 Ca 0.00 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 4bir n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 4bir s SER 72 N -4.00 6.62 0.00 1.61 0.15 -1.26 -4.82 113.70 112.00 4bir s SER 72 Ca 0.00 2.40 0.28 0.00 0.70 0.00 0.00 55.95 59.33 4bir s SER 72 Cb 0.00 -2.55 1.09 0.00 -1.71 0.00 0.00 66.02 62.86 4bir s SER 72 CO 0.00 -0.92 1.82 -0.81 1.20 0.00 0.00 173.24 174.53 4bir n PRO 73 N 6.48 0.09 0.00 5.44 -0.04 -1.26 -5.04 135.00 140.68 4bir n PRO 73 Ca 0.17 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 4bir n PRO 73 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 4bir n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 4bir n GLY 74 N 1.46 -1.46 0.24 0.55 0.00 -1.26 -4.28 105.19 100.43 4bir n GLY 74 Ca 0.08 -1.26 0.07 0.00 0.00 0.00 0.00 46.02 44.91 4bir n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4bir n ALA 75 N 0.60 3.33 -2.87 4.61 0.00 -1.26 -5.01 120.51 119.91 4bir n ALA 75 Ca 0.00 -0.48 -0.27 0.00 0.00 0.00 0.00 53.44 52.69 4bir n ALA 75 Cb 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 4bir n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 4bir s ASP 76 N -1.95 5.96 0.01 0.00 1.01 -1.26 -1.11 116.67 119.33 4bir s ASP 76 Ca 0.10 0.06 -0.11 0.00 0.71 0.00 0.00 52.55 53.31 4bir s ASP 76 Cb 0.12 -1.70 0.01 0.00 1.01 0.00 0.00 42.92 42.35 4bir s ASP 76 CO 0.44 0.09 0.22 -0.13 0.21 0.00 0.00 175.17 175.99 4bir s ARG 77 N -3.01 0.62 -0.01 8.23 1.81 -0.09 -2.06 118.95 124.44 4bir s ARG 77 Ca 0.33 -0.40 -0.08 0.00 -1.72 0.00 0.00 55.73 53.85 4bir s ARG 77 Cb -0.11 0.26 -0.05 0.00 -0.45 0.00 0.00 34.95 34.60 4bir s ARG 77 CO 0.26 -0.17 0.28 0.08 -0.68 0.00 0.00 175.30 175.07 4bir s VAL 78 N -1.75 5.28 -0.14 3.52 1.01 0.18 -1.93 120.40 126.56 4bir s VAL 78 Ca -0.11 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.15 4bir s VAL 78 Cb -0.05 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 4bir s VAL 78 CO 0.01 0.43 -0.15 -0.69 0.00 0.00 0.00 175.10 174.69 4bir s VAL 79 N -1.24 2.79 0.27 2.92 1.01 -0.58 -2.10 120.40 123.47 4bir s VAL 79 Ca 0.26 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.55 4bir s VAL 79 Cb -0.13 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 4bir s VAL 79 CO 0.14 0.52 -0.04 0.72 0.00 0.00 0.00 175.10 176.44 4bir s PHE 80 N 0.61 1.84 0.39 5.22 -0.12 -0.17 -0.55 117.98 125.21 4bir s PHE 80 Ca -0.08 -0.77 0.02 0.00 -0.05 0.00 0.00 56.93 56.05 4bir s PHE 80 Cb -0.16 -1.07 0.02 0.00 -0.63 0.00 0.00 43.02 41.19 4bir s PHE 80 CO 0.03 0.18 0.20 0.27 -0.05 0.00 0.00 175.22 175.85 4bir n ASN 81 N -0.54 2.50 0.01 1.98 6.94 -0.84 -0.64 115.26 124.67 4bir n ASN 81 Ca -0.05 -2.44 0.20 0.00 -0.02 0.00 0.00 54.58 52.26 4bir n ASN 81 Cb 0.64 0.06 0.69 0.00 -2.36 0.00 0.00 39.78 38.81 4bir n ASN 81 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 4bir h GLU 82 N 0.00 0.00 -0.58 -3.83 4.57 -1.74 -0.96 114.58 112.05 4bir h GLU 82 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 4bir h GLU 82 Cb 0.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 4bir h GLU 82 CO 0.43 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.35 4bir n ASN 83 N -4.37 3.25 -3.41 1.04 3.02 -1.26 -4.95 115.26 108.59 4bir n ASN 83 Ca 0.09 -2.19 -0.22 0.00 -0.03 0.00 0.00 54.58 52.23 4bir n ASN 83 Cb 0.59 -0.43 0.08 0.00 -0.61 0.00 0.00 39.78 39.41 4bir n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 4bir n ASN 84 N 0.87 -6.10 -4.69 6.41 5.15 -0.36 -4.99 115.26 111.54 4bir n ASN 84 Ca 0.18 -0.51 -0.35 0.00 -0.60 0.00 0.00 54.58 53.30 4bir n ASN 84 Cb 0.58 -4.77 -0.09 0.00 -0.53 0.00 0.00 39.78 34.97 4bir n ASN 84 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 4bir s GLN 85 N -6.23 3.62 0.12 1.20 -0.21 -1.26 -4.90 119.66 112.00 4bir s GLN 85 Ca 0.55 -0.32 -0.31 0.00 0.02 0.00 0.00 55.36 55.30 4bir s GLN 85 Cb -0.24 -3.10 -0.08 0.00 1.00 0.00 0.00 33.01 30.59 4bir s GLN 85 CO 0.69 0.48 1.32 -1.17 -2.12 0.00 0.00 175.29 174.49 4bir s LEU 86 N -0.23 4.38 -0.23 2.90 2.96 -1.26 -1.98 118.68 125.22 4bir s LEU 86 Ca 0.08 2.27 -0.06 0.00 -0.22 0.00 0.00 54.13 56.20 4bir s LEU 86 Cb -0.12 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.86 4bir s LEU 86 CO 0.01 -0.58 -0.26 0.00 -1.32 0.00 0.00 176.35 174.21 4bir n ALA 87 N 3.63 1.49 0.00 5.97 0.00 0.29 -4.85 120.51 127.04 4bir n ALA 87 Ca 0.10 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.59 4bir n ALA 87 Cb 0.43 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.98 4bir n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4bir n GLY 88 N 1.94 -0.84 3.05 0.00 0.00 -1.14 -4.71 105.19 103.48 4bir n GLY 88 Ca -0.43 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 4bir n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4bir s VAL 89 N -2.00 1.54 0.21 1.61 1.01 -1.26 -1.53 120.40 119.98 4bir s VAL 89 Ca 0.00 -0.65 0.11 0.00 0.00 0.00 0.00 61.98 61.45 4bir s VAL 89 Cb 0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 4bir s VAL 89 CO 0.00 0.45 -0.23 0.27 0.00 0.00 0.00 175.10 175.59 4bir s ILE 90 N 1.15 2.37 0.04 2.22 -4.36 -0.81 -0.74 121.20 121.07 4bir s ILE 90 Ca -0.03 -2.12 -0.05 0.00 -0.26 0.00 0.00 60.65 58.19 4bir s ILE 90 Cb -0.14 -2.16 -0.01 0.00 1.25 0.00 0.00 42.46 41.39 4bir s ILE 90 CO -0.05 -0.19 0.09 0.28 0.24 0.00 0.00 174.94 175.32 4bir s THR 91 N -1.88 0.14 -1.04 8.37 -1.32 0.93 -0.92 115.64 119.93 4bir s THR 91 Ca 0.23 -1.17 0.24 0.00 -1.21 0.00 0.00 61.69 59.78 4bir s THR 91 Cb -0.07 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 69.91 4bir s THR 91 CO 0.11 -0.65 1.35 0.00 -2.21 0.00 0.00 174.62 173.22 4bir n GLN 92 N 0.63 0.05 -1.90 7.08 6.02 -0.26 -0.94 117.38 128.05 4bir n GLN 92 Ca -0.18 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.36 4bir n GLN 92 Cb 0.59 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.32 4bir n GLN 92 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 4bir s THR 93 N -2.97 3.03 0.00 5.09 2.01 -1.26 -1.78 115.64 119.75 4bir s THR 93 Ca 0.11 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.55 4bir s THR 93 Cb 0.17 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.40 4bir s THR 93 CO 0.72 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.25 4bir n GLY 94 N 4.05 0.81 3.40 4.40 0.00 -1.26 -4.80 105.19 111.79 4bir n GLY 94 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 4bir n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4bir s ALA 95 N -3.12 2.41 0.36 4.61 0.00 -0.74 -4.99 121.76 120.29 4bir s ALA 95 Ca 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.61 4bir s ALA 95 Cb 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 4bir s ALA 95 CO 0.00 0.55 0.66 -1.54 0.00 0.00 0.00 175.76 175.44 4bir s SER 96 N -1.49 6.45 0.25 0.00 1.04 -1.26 -4.81 113.70 113.88 4bir s SER 96 Ca 0.13 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.45 4bir s SER 96 Cb -0.10 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.80 4bir s SER 96 CO 0.04 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.55 4bir n GLY 97 N -1.26 1.84 1.50 7.32 0.00 -1.26 -0.44 105.19 112.89 4bir n GLY 97 Ca 0.00 0.56 0.07 0.00 0.00 0.00 0.00 46.02 46.65 4bir n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 4bir n ASN 98 N 4.84 4.45 -4.95 1.61 0.23 -1.26 -4.94 115.26 115.24 4bir n ASN 98 Ca 0.00 -2.51 -0.23 0.00 -0.53 0.00 0.00 54.58 51.31 4bir n ASN 98 Cb 0.00 -0.57 0.04 0.00 -2.08 0.00 0.00 39.78 37.16 4bir n ASN 98 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 4bir s ASN 99 N -0.79 5.36 0.11 0.53 -0.87 0.41 -5.09 114.94 114.60 4bir s ASN 99 Ca 0.45 0.27 -0.00 0.00 -1.57 0.00 0.00 52.86 52.01 4bir s ASN 99 Cb 0.31 -1.21 -0.04 0.00 -0.02 0.00 0.00 41.25 40.29 4bir s ASN 99 CO 0.19 -1.12 -0.00 -0.36 -2.57 0.00 0.00 177.10 173.24 4bir s PHE 100 N -2.85 0.82 0.07 2.20 0.40 -1.26 -4.66 117.98 112.69 4bir s PHE 100 Ca 0.55 -1.09 0.01 0.00 -0.60 0.00 0.00 56.93 55.81 4bir s PHE 100 Cb -0.10 -0.50 -0.03 0.00 0.51 0.00 0.00 43.02 42.90 4bir s PHE 100 CO 0.41 -0.35 -0.06 0.14 0.70 0.00 0.00 175.22 176.06 4bir s VAL 101 N -3.86 0.49 0.42 -0.44 -7.23 -0.11 -4.97 120.40 104.70 4bir s VAL 101 Ca 0.16 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 58.63 4bir s VAL 101 Cb 0.07 -1.22 -0.07 0.00 0.56 0.00 0.00 36.38 35.72 4bir s VAL 101 CO -0.03 -0.74 0.82 -1.61 -0.31 0.00 0.00 175.10 173.24 4bir s GLU 102 N -3.02 3.85 0.35 4.82 2.02 -1.26 -0.05 118.70 125.40 4bir s GLU 102 Ca 0.02 0.61 -0.26 0.00 0.02 0.00 0.00 54.97 55.37 4bir s GLU 102 Cb 0.00 -2.33 -0.09 0.00 0.10 0.00 0.00 34.13 31.81 4bir s GLU 102 CO -0.04 -0.08 1.01 0.00 0.02 0.00 0.00 175.26 176.17