#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bir h ASP 3 N 5.70 0.19 -3.57 0.00 3.32 -1.16 -3.44 116.42 117.46 1bir h ASP 3 Ca -0.44 -0.18 -0.26 0.00 0.02 0.00 0.00 57.03 56.17 1bir h ASP 3 Cb 1.19 -0.06 -0.31 0.00 0.22 0.00 0.00 39.33 40.36 1bir h ASP 3 CO 0.58 1.08 -0.67 -0.31 -1.72 0.00 0.00 179.24 178.20 1bir s TYR 4 N -2.87 -0.05 -0.14 4.55 2.02 -0.57 -4.96 117.35 115.34 1bir s TYR 4 Ca -0.02 0.22 -0.00 0.00 -0.37 0.00 0.00 57.07 56.90 1bir s TYR 4 Cb 0.09 -0.12 0.03 0.00 -0.40 0.00 0.00 41.96 41.56 1bir s TYR 4 CO 0.84 -0.09 -0.09 -0.08 -1.57 0.00 0.00 175.55 174.56 1bir s THR 5 N 0.78 1.20 -0.48 -0.71 -1.32 0.10 -0.98 115.64 114.22 1bir s THR 5 Ca -0.06 -0.49 -0.09 0.00 -1.21 0.00 0.00 61.69 59.84 1bir s THR 5 Cb -0.09 -1.24 0.12 0.00 -1.51 0.00 0.00 72.50 69.79 1bir s THR 5 CO -0.03 0.31 0.36 0.00 -2.21 0.00 0.00 174.62 173.05 1bir n GLY 7 N 4.87 3.12 0.00 0.00 0.00 -1.26 -1.16 105.19 110.76 1bir n GLY 7 Ca -0.07 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1bir n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bir n SER 8 N 9.66 0.64 -4.73 1.61 7.64 -1.26 -4.95 113.62 122.23 1bir n SER 8 Ca 0.00 -0.46 -0.40 0.00 1.01 0.00 0.00 58.87 59.02 1bir n SER 8 Cb 0.00 0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 63.61 1bir n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1bir s ASN 9 N -3.00 7.24 -0.20 6.43 0.01 -0.31 -5.05 114.94 120.06 1bir s ASN 9 Ca 0.10 1.49 -0.04 0.00 -0.71 0.00 0.00 52.86 53.70 1bir s ASN 9 Cb 0.17 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 1bir s ASN 9 CO 0.75 -0.06 -0.02 0.00 -1.51 0.00 0.00 177.10 176.26 1bir s TYR 11 N 1.03 1.75 0.51 0.00 2.02 -0.16 -5.02 117.35 117.48 1bir s TYR 11 Ca 0.01 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 1bir s TYR 11 Cb -0.14 -1.14 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1bir s TYR 11 CO 0.01 -0.08 0.71 -1.54 -1.57 0.00 0.00 175.55 173.08 1bir s SER 12 N -0.29 5.39 0.37 2.29 1.04 -1.26 -0.55 113.70 120.70 1bir s SER 12 Ca 0.03 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.37 1bir s SER 12 Cb -0.09 -0.81 0.72 0.00 0.10 0.00 0.00 66.02 65.94 1bir s SER 12 CO 0.00 -1.02 2.02 0.28 0.98 0.00 0.00 173.24 175.49 1bir h SER 13 N 0.25 0.61 -0.47 7.02 0.02 -1.98 -2.23 113.55 116.76 1bir h SER 13 Ca -0.41 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.48 1bir h SER 13 Cb 1.29 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 1bir h SER 13 CO 0.50 0.46 0.21 0.77 -1.14 0.00 0.00 176.83 177.63 1bir h SER 14 N 0.71 0.67 -0.44 3.07 4.64 -1.99 -0.25 113.55 119.95 1bir h SER 14 Ca 0.19 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 1bir h SER 14 Cb -0.04 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1bir h SER 14 CO -0.04 0.61 0.08 0.44 -0.87 0.00 0.00 176.83 177.05 1bir h ASP 15 N 0.73 0.69 -0.27 4.97 3.32 -1.79 -1.70 116.42 122.38 1bir h ASP 15 Ca 0.18 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1bir h ASP 15 Cb 0.15 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1bir h ASP 15 CO -0.02 0.77 0.11 0.58 -1.72 0.00 0.00 179.24 178.97 1bir h VAL 16 N 0.59 1.17 -0.80 -1.35 2.07 -1.16 -2.11 116.25 114.66 1bir h VAL 16 Ca 0.13 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1bir h VAL 16 Cb 0.37 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1bir h VAL 16 CO 0.01 0.17 0.51 0.28 0.02 0.00 0.00 177.57 178.56 1bir h SER 17 N 0.30 0.94 -0.20 0.57 0.02 -0.96 -0.19 113.55 114.02 1bir h SER 17 Ca 0.09 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1bir h SER 17 Cb 0.17 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1bir h SER 17 CO -0.01 0.70 0.09 0.74 -1.14 0.00 0.00 176.83 177.21 1bir h THR 18 N 1.09 1.14 -0.39 -2.27 2.02 -1.18 -0.54 112.91 112.78 1bir h THR 18 Ca 0.29 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 1bir h THR 18 Cb -0.09 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1bir h THR 18 CO -0.06 0.14 -0.12 0.00 0.37 0.00 0.00 175.52 175.85 1bir h ALA 19 N 0.95 0.54 -0.53 6.16 0.00 -1.26 -2.84 119.26 122.29 1bir h ALA 19 Ca 0.07 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1bir h ALA 19 Cb 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1bir h ALA 19 CO -0.01 0.43 0.31 0.37 0.00 0.00 0.00 179.25 180.36 1bir h GLN 20 N 0.58 0.60 -1.01 0.00 4.15 -0.90 -1.56 115.11 116.97 1bir h GLN 20 Ca 0.10 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.51 1bir h GLN 20 Cb 0.65 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 1bir h GLN 20 CO 0.04 0.39 0.66 0.00 -1.93 0.00 0.00 178.83 178.00 1bir h ALA 21 N 1.24 1.33 -0.10 3.38 0.00 -1.03 -0.75 119.26 123.33 1bir h ALA 21 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1bir h ALA 21 Cb 0.04 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1bir h ALA 21 CO -0.10 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.72 1bir h ALA 22 N 1.41 0.14 -0.43 0.00 0.00 -1.18 -1.89 119.26 117.30 1bir h ALA 22 Ca 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1bir h ALA 22 Cb -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1bir h ALA 22 CO -0.12 -0.16 0.28 0.78 0.00 0.00 0.00 179.25 180.03 1bir h GLY 23 N -0.10 0.60 1.03 0.00 0.00 -1.00 -2.22 103.07 101.39 1bir h GLY 23 Ca 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1bir h GLY 23 CO 0.01 0.22 0.05 -1.82 0.00 0.00 0.00 176.54 174.99 1bir h TYR 24 N 0.58 1.03 -0.61 5.60 3.20 -1.15 -0.71 116.97 124.90 1bir h TYR 24 Ca 0.16 -0.16 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bir h TYR 24 Cb -0.07 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.90 1bir h TYR 24 CO -0.05 0.92 0.38 -0.22 -1.64 0.00 0.00 178.16 177.55 1bir h LYS 25 N 0.84 0.82 -0.71 1.82 3.11 -1.13 0.85 116.57 122.17 1bir h LYS 25 Ca 0.16 -0.07 -0.07 0.00 -2.81 0.00 0.00 60.65 57.87 1bir h LYS 25 Cb 0.47 -0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 31.50 1bir h LYS 25 CO 0.02 0.57 0.18 -0.07 -2.81 0.00 0.00 179.45 177.35 1bir h LEU 26 N 0.83 1.06 0.15 5.20 3.38 -1.28 -2.03 115.31 122.62 1bir h LEU 26 Ca 0.22 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bir h LEU 26 Cb -0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1bir h LEU 26 CO -0.04 1.01 -0.11 -0.74 0.09 0.00 0.00 178.44 178.65 1bir h HIS 27 N 1.07 -0.28 0.00 1.13 2.76 -0.25 -1.60 115.15 117.98 1bir h HIS 27 Ca 0.22 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.36 1bir h HIS 27 Cb 0.35 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 1bir h HIS 27 CO 0.03 -0.17 -0.16 1.05 -1.30 0.00 0.00 177.93 177.37 1bir h GLU 28 N -0.26 0.00 -0.00 5.26 4.11 -0.75 -2.42 114.58 120.51 1bir h GLU 28 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1bir h GLU 28 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1bir h GLU 28 CO -0.00 0.16 -0.23 -0.25 0.07 0.00 0.00 179.01 178.76 1bir n ASP 29 N -3.98 0.61 -1.69 3.06 8.00 -0.77 -4.94 116.55 116.84 1bir n ASP 29 Ca -0.02 -0.50 -0.11 0.00 0.71 0.00 0.00 54.79 54.86 1bir n ASP 29 Cb 0.25 0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.40 1bir n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bir n GLY 30 N 1.37 0.08 3.56 0.44 0.00 -0.69 -5.02 105.19 104.94 1bir n GLY 30 Ca 0.11 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1bir n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bir s GLU 31 N -5.17 1.89 0.03 1.61 2.02 -0.70 -5.06 118.70 113.32 1bir s GLU 31 Ca 0.17 -1.87 -0.04 0.00 0.02 0.00 0.00 54.97 53.26 1bir s GLU 31 Cb -0.07 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 32.36 1bir s GLU 31 CO 0.21 0.16 0.05 0.99 0.02 0.00 0.00 175.26 176.68 1bir s THR 32 N -2.57 0.13 -0.00 3.63 2.01 -1.26 -4.41 115.64 113.17 1bir s THR 32 Ca 0.33 -1.11 0.03 0.00 0.31 0.00 0.00 61.69 61.25 1bir s THR 32 Cb 0.01 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 1bir s THR 32 CO 0.17 -0.61 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.70 1bir s VAL 33 N -2.38 0.80 0.00 3.82 1.01 0.16 -4.89 120.40 118.91 1bir s VAL 33 Ca -0.07 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1bir s VAL 33 Cb -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1bir s VAL 33 CO -0.04 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1bir n GLY 34 N 2.69 -0.88 0.23 4.51 0.00 -1.26 -0.81 105.19 109.67 1bir n GLY 34 Ca -0.14 -1.64 0.10 0.00 0.00 0.00 0.00 46.02 44.33 1bir n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bir h SER 35 N 0.00 0.00 -0.44 1.61 4.64 -1.98 -2.21 113.55 115.17 1bir h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bir h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1bir h SER 35 CO 0.00 0.23 0.00 0.59 -0.87 0.00 0.00 176.83 176.78 1bir n ASN 36 N -3.49 2.93 -3.51 4.97 5.03 -1.26 -4.99 115.26 114.95 1bir n ASN 36 Ca -0.00 -2.17 -0.17 0.00 0.87 0.00 0.00 54.58 53.11 1bir n ASN 36 Cb 0.39 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.75 1bir n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1bir n SER 37 N 0.73 -5.95 -4.86 6.41 7.64 -0.83 -4.89 113.62 111.87 1bir n SER 37 Ca 0.16 -0.58 -0.36 0.00 1.01 0.00 0.00 58.87 59.10 1bir n SER 37 Cb 0.53 -2.98 -0.06 0.00 -1.01 0.00 0.00 64.21 60.69 1bir n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1bir s TYR 38 N -2.89 3.63 0.53 1.43 2.02 0.01 -3.68 117.35 118.41 1bir s TYR 38 Ca 0.03 0.76 -0.16 0.00 -0.37 0.00 0.00 57.07 57.33 1bir s TYR 38 Cb -0.00 -2.13 -0.07 0.00 -0.40 0.00 0.00 41.96 39.36 1bir s TYR 38 CO 0.84 0.61 1.00 -1.25 -1.57 0.00 0.00 175.55 175.19 1bir s PRO 39 N -1.50 3.80 0.08 -1.71 0.04 -1.26 0.37 135.00 134.82 1bir s PRO 39 Ca 0.26 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 1bir s PRO 39 Cb -0.14 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1bir s PRO 39 CO 0.14 -0.40 0.05 -3.38 0.04 0.00 0.00 177.00 173.45 1bir s HIS 40 N -2.60 0.52 0.29 0.56 -3.43 -1.12 -4.94 115.29 104.57 1bir s HIS 40 Ca 0.60 -1.00 -0.30 0.00 -0.80 0.00 0.00 55.06 53.56 1bir s HIS 40 Cb -0.11 -0.33 -0.12 0.00 -1.43 0.00 0.00 32.58 30.58 1bir s HIS 40 CO 0.33 -0.46 1.49 1.17 -2.00 0.00 0.00 174.74 175.27 1bir n LYS 41 N 0.01 2.41 -3.65 -0.38 4.81 -1.26 -0.96 118.16 119.15 1bir n LYS 41 Ca -0.12 0.86 -0.38 0.00 -0.87 0.00 0.00 58.31 57.79 1bir n LYS 41 Cb 0.62 -2.57 -0.12 0.00 0.02 0.00 0.00 35.03 32.98 1bir n LYS 41 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1bir s TYR 42 N -0.23 3.18 -0.78 5.64 5.04 0.91 -4.70 117.35 126.40 1bir s TYR 42 Ca 0.64 -0.49 0.26 0.00 -2.44 0.00 0.00 57.07 55.03 1bir s TYR 42 Cb -0.55 -2.35 0.93 0.00 0.35 0.00 0.00 41.96 40.34 1bir s TYR 42 CO 0.52 -0.42 1.79 0.09 -1.34 0.00 0.00 175.55 176.18 1bir n ASN 43 N 4.99 0.53 -3.31 4.32 4.13 -1.26 -4.16 115.26 120.49 1bir n ASN 43 Ca -0.14 0.56 -0.18 0.00 1.68 0.00 0.00 54.58 56.50 1bir n ASN 43 Cb 0.50 -0.70 0.08 0.00 -1.54 0.00 0.00 39.78 38.12 1bir n ASN 43 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1bir n ASN 44 N -2.01 -3.45 0.18 6.41 5.15 -1.26 -4.90 115.26 115.38 1bir n ASN 44 Ca 0.05 -0.55 0.08 0.00 -0.60 0.00 0.00 54.58 53.56 1bir n ASN 44 Cb 0.36 -4.79 0.60 0.00 -0.53 0.00 0.00 39.78 35.42 1bir n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1bir h TYR 45 N -2.04 0.11 0.00 1.20 0.05 -2.01 -1.75 116.97 112.53 1bir h TYR 45 Ca -0.54 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.21 1bir h TYR 45 Cb 1.33 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 39.03 1bir h TYR 45 CO 0.43 0.06 -0.14 0.93 -1.05 0.00 0.00 178.16 178.39 1bir h GLU 46 N 0.11 0.00 -2.03 4.88 3.07 -1.94 -3.47 114.58 115.20 1bir h GLU 46 Ca 0.05 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.76 1bir h GLU 46 Cb 0.08 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1bir h GLU 46 CO -0.01 0.14 -0.24 0.41 -1.40 0.00 0.00 179.01 177.92 1bir n GLY 47 N -0.58 0.21 3.73 -3.84 0.00 -0.66 -5.00 105.19 99.05 1bir n GLY 47 Ca -0.02 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 1bir n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bir s PHE 48 N -2.77 2.17 -1.23 1.61 0.08 -1.26 -4.93 117.98 111.65 1bir s PHE 48 Ca 0.12 1.58 -0.06 0.00 0.12 0.00 0.00 56.93 58.69 1bir s PHE 48 Cb -0.05 -3.45 0.19 0.00 -0.57 0.00 0.00 43.02 39.14 1bir s PHE 48 CO 0.14 -2.46 2.02 -3.47 -0.10 0.00 0.00 175.22 171.35 1bir n ASP 49 N -2.47 6.86 -4.73 1.36 2.03 -1.26 -5.00 116.55 113.33 1bir n ASP 49 Ca 0.13 -3.27 -0.41 0.00 0.52 0.00 0.00 54.79 51.76 1bir n ASP 49 Cb 0.50 -1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 39.53 1bir n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1bir s PHE 50 N -1.50 3.20 -1.89 -0.67 0.08 -1.26 -4.88 117.98 111.05 1bir s PHE 50 Ca 0.44 1.12 0.31 0.00 0.12 0.00 0.00 56.93 58.92 1bir s PHE 50 Cb 0.14 -3.67 1.79 0.00 -0.57 0.00 0.00 43.02 40.70 1bir s PHE 50 CO -0.04 -2.18 2.17 -1.13 -0.10 0.00 0.00 175.22 173.94 1bir n SER 51 N 2.81 0.06 -4.69 1.36 3.41 -1.26 -4.82 113.62 110.49 1bir n SER 51 Ca 0.07 -0.83 -0.30 0.00 -0.26 0.00 0.00 58.87 57.55 1bir n SER 51 Cb 0.42 -0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 64.23 1bir n SER 51 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1bir s VAL 52 N -2.13 4.06 0.29 -3.33 1.01 -1.26 -5.11 120.40 113.93 1bir s VAL 52 Ca 0.43 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 1bir s VAL 52 Cb 0.22 -2.93 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 1bir s VAL 52 CO 0.39 0.14 1.01 -0.94 0.00 0.00 0.00 175.10 175.70 1bir s SER 53 N -2.26 7.32 0.97 3.32 1.04 -1.26 -5.04 113.70 117.80 1bir s SER 53 Ca 0.26 2.05 -0.15 0.00 0.48 0.00 0.00 55.95 58.59 1bir s SER 53 Cb -0.12 -2.61 0.19 0.00 0.10 0.00 0.00 66.02 63.58 1bir s SER 53 CO 0.18 -0.09 1.23 -0.94 0.98 0.00 0.00 173.24 174.60 1bir s SER 54 N -1.21 3.01 0.76 7.02 1.04 -1.26 -4.62 113.70 118.44 1bir s SER 54 Ca 0.46 0.53 -0.12 0.00 0.48 0.00 0.00 55.95 57.31 1bir s SER 54 Cb -0.26 -0.77 0.05 0.00 0.10 0.00 0.00 66.02 65.14 1bir s SER 54 CO 0.33 -2.82 1.11 -2.16 0.98 0.00 0.00 173.24 170.68 1bir s PRO 55 N -5.65 2.23 0.16 4.02 0.04 -1.26 -4.83 135.00 129.71 1bir s PRO 55 Ca 0.70 1.29 0.09 0.00 0.04 0.00 0.00 61.00 63.12 1bir s PRO 55 Cb -0.08 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1bir s PRO 55 CO 0.53 -1.68 -0.13 0.71 0.04 0.00 0.00 177.00 176.47 1bir s TYR 56 N -2.70 2.58 0.03 0.56 2.02 -1.26 -3.62 117.35 114.96 1bir s TYR 56 Ca 0.64 -0.24 0.03 0.00 -0.37 0.00 0.00 57.07 57.12 1bir s TYR 56 Cb -0.19 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 1bir s TYR 56 CO 0.52 0.47 -0.09 0.71 -1.57 0.00 0.00 175.55 175.59 1bir s TYR 57 N -1.52 0.79 0.05 2.71 2.02 -0.15 -0.06 117.35 121.19 1bir s TYR 57 Ca 0.22 -0.36 0.07 0.00 -0.37 0.00 0.00 57.07 56.64 1bir s TYR 57 Cb -0.09 -0.48 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 1bir s TYR 57 CO 0.13 -0.03 -0.18 -1.83 -1.57 0.00 0.00 175.55 172.08 1bir s GLU 58 N -1.11 2.05 -0.00 -0.62 -1.05 -0.13 -1.33 118.70 116.51 1bir s GLU 58 Ca -0.04 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 1bir s GLU 58 Cb -0.07 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.43 1bir s GLU 58 CO 0.01 0.54 -0.00 -0.46 0.95 0.00 0.00 175.26 176.29 1bir s TRP 59 N -0.94 0.08 0.39 4.83 -0.11 -0.61 -2.80 118.94 119.78 1bir s TRP 59 Ca 0.15 0.00 -0.26 0.00 1.22 0.00 0.00 56.10 57.21 1bir s TRP 59 Cb -0.10 -0.08 -0.09 0.00 -1.50 0.00 0.00 33.47 31.70 1bir s TRP 59 CO 0.06 -0.02 1.19 -2.14 -4.62 0.00 0.00 176.95 171.42 1bir s PRO 60 N 0.13 4.07 -0.13 5.86 0.02 -1.26 -0.78 135.00 142.92 1bir s PRO 60 Ca -0.01 1.90 0.02 0.00 0.02 0.00 0.00 61.00 62.93 1bir s PRO 60 Cb -0.02 -2.72 -0.00 0.00 0.02 0.00 0.00 34.50 31.78 1bir s PRO 60 CO -0.00 -0.32 -0.20 -1.50 -0.33 0.00 0.00 177.00 174.65 1bir s ILE 61 N -1.37 2.36 -0.10 2.83 2.07 -0.90 -4.59 121.20 121.51 1bir s ILE 61 Ca 0.56 -0.90 -0.06 0.00 -1.41 0.00 0.00 60.65 58.84 1bir s ILE 61 Cb -0.32 -1.95 -0.04 0.00 0.13 0.00 0.00 42.46 40.28 1bir s ILE 61 CO 0.41 0.54 0.15 -0.76 -1.91 0.00 0.00 174.94 173.37 1bir s LEU 62 N 0.54 4.39 0.56 8.50 1.43 -1.26 -4.37 118.68 128.46 1bir s LEU 62 Ca -0.12 0.46 0.24 0.00 -1.03 0.00 0.00 54.13 53.67 1bir s LEU 62 Cb -0.17 -2.19 1.52 0.00 0.03 0.00 0.00 46.19 45.39 1bir s LEU 62 CO 0.04 0.38 2.14 0.77 0.23 0.00 0.00 176.35 179.91 1bir h SER 63 N 4.75 0.00 0.98 2.29 4.64 -1.95 -2.08 113.55 122.18 1bir h SER 63 Ca -0.54 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.75 1bir h SER 63 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1bir h SER 63 CO 0.60 0.00 -0.15 0.77 -0.87 0.00 0.00 176.83 177.18 1bir h SER 64 N 0.00 0.00 0.00 4.97 4.64 -1.98 -3.47 113.55 117.71 1bir h SER 64 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1bir h SER 64 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1bir h SER 64 CO -0.00 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 1bir n GLY 65 N 0.13 0.08 3.82 -0.77 0.00 -0.78 -5.07 105.19 102.60 1bir n GLY 65 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1bir n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bir s ASP 66 N -2.07 5.86 0.04 1.61 1.01 -1.26 -4.98 116.67 116.87 1bir s ASP 66 Ca 0.00 1.70 -0.23 0.00 0.71 0.00 0.00 52.55 54.73 1bir s ASP 66 Cb 0.00 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 1bir s ASP 66 CO 0.00 -1.11 0.71 -0.69 0.21 0.00 0.00 175.17 174.29 1bir s VAL 67 N -2.66 4.76 0.24 -1.27 1.01 -1.26 -4.25 120.40 116.97 1bir s VAL 67 Ca 0.61 1.50 -0.31 0.00 0.00 0.00 0.00 61.98 63.78 1bir s VAL 67 Cb -0.14 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 1bir s VAL 67 CO 0.41 0.40 1.63 0.00 0.00 0.00 0.00 175.10 177.54 1bir n TYR 68 N 2.68 2.67 -1.45 5.22 9.36 -1.26 -4.90 117.16 129.48 1bir n TYR 68 Ca -0.04 0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.37 1bir n TYR 68 Cb 0.50 -2.61 0.01 0.00 -0.63 0.00 0.00 39.34 36.61 1bir n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1bir n SER 69 N 3.07 0.17 0.00 2.98 3.41 -1.26 -5.08 113.62 116.91 1bir n SER 69 Ca 0.13 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 1bir n SER 69 Cb 0.34 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1bir n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bir n GLY 70 N -0.08 2.68 7.00 5.00 0.00 -1.26 -4.69 105.19 113.85 1bir n GLY 70 Ca 0.01 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1bir n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bir n GLY 71 N -1.42 -1.53 3.69 -0.02 0.00 -1.26 -4.80 105.19 99.85 1bir n GLY 71 Ca 0.00 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 1bir n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bir n SER 72 N 0.06 4.01 -0.27 1.61 2.88 -1.26 -4.84 113.62 115.82 1bir n SER 72 Ca 0.00 0.98 0.15 0.00 -1.33 0.00 0.00 58.87 58.67 1bir n SER 72 Cb 0.00 -1.53 0.71 0.00 -0.75 0.00 0.00 64.21 62.64 1bir n SER 72 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bir n PRO 73 N 5.89 1.36 0.00 -1.46 -0.04 -1.26 -5.03 135.00 134.46 1bir n PRO 73 Ca 0.18 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 1bir n PRO 73 Cb 0.37 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1bir n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bir n GLY 74 N 1.10 -0.66 0.00 0.55 0.00 -1.26 -4.39 105.19 100.53 1bir n GLY 74 Ca 0.21 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 45.20 1bir n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bir n ALA 75 N 1.39 3.66 -2.59 4.61 0.00 -1.26 -5.00 120.51 121.32 1bir n ALA 75 Ca 0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 53.44 52.66 1bir n ALA 75 Cb 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 1bir n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bir s ASP 76 N -2.96 6.61 -0.02 0.00 1.01 -1.26 -1.09 116.67 118.96 1bir s ASP 76 Ca 0.02 0.76 -0.03 0.00 0.71 0.00 0.00 52.55 54.01 1bir s ASP 76 Cb 0.12 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.89 1bir s ASP 76 CO 0.68 0.15 0.08 -0.13 0.21 0.00 0.00 175.17 176.15 1bir s ARG 77 N -2.05 0.17 -0.14 8.23 1.81 0.51 -2.11 118.95 125.36 1bir s ARG 77 Ca 0.35 -0.03 -0.09 0.00 -1.72 0.00 0.00 55.73 54.24 1bir s ARG 77 Cb -0.14 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.40 1bir s ARG 77 CO 0.19 -0.03 0.16 0.14 -0.68 0.00 0.00 175.30 175.09 1bir s VAL 78 N -0.30 5.43 -0.17 3.52 -7.23 0.04 -0.67 120.40 121.02 1bir s VAL 78 Ca -0.04 0.27 -0.01 0.00 -1.81 0.00 0.00 61.98 60.39 1bir s VAL 78 Cb -0.03 -3.46 -0.01 0.00 0.56 0.00 0.00 36.38 33.45 1bir s VAL 78 CO 0.00 0.54 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.54 1bir s VAL 79 N -0.49 3.00 0.25 1.32 1.01 0.09 -1.57 120.40 124.00 1bir s VAL 79 Ca 0.13 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1bir s VAL 79 Cb -0.12 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1bir s VAL 79 CO 0.03 0.49 0.00 0.72 0.00 0.00 0.00 175.10 176.34 1bir s PHE 80 N 0.92 1.64 0.39 5.22 -0.12 -0.44 -0.44 117.98 125.15 1bir s PHE 80 Ca -0.02 -0.92 0.03 0.00 -0.05 0.00 0.00 56.93 55.97 1bir s PHE 80 Cb -0.15 -0.96 0.03 0.00 -0.63 0.00 0.00 43.02 41.31 1bir s PHE 80 CO -0.01 -0.02 0.25 0.27 -0.05 0.00 0.00 175.22 175.67 1bir n ASN 81 N -0.46 2.40 0.16 1.98 6.94 -0.68 -0.97 115.26 124.62 1bir n ASN 81 Ca -0.05 -2.41 0.18 0.00 -0.02 0.00 0.00 54.58 52.29 1bir n ASN 81 Cb 0.64 0.02 0.79 0.00 -2.36 0.00 0.00 39.78 38.87 1bir n ASN 81 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1bir h GLU 82 N 0.00 0.00 -0.33 -3.83 4.39 -1.82 0.85 114.58 113.85 1bir h GLU 82 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1bir h GLU 82 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1bir h GLU 82 CO 0.41 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 178.35 1bir n ASN 83 N -3.76 2.18 -2.34 1.42 5.03 -1.26 -4.92 115.26 111.61 1bir n ASN 83 Ca 0.04 -1.89 -0.19 0.00 0.87 0.00 0.00 54.58 53.40 1bir n ASN 83 Cb 0.44 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 1bir n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1bir n ASN 84 N 0.67 -5.58 -4.84 6.41 4.05 0.29 -4.98 115.26 111.28 1bir n ASN 84 Ca 0.15 -0.08 -0.38 0.00 0.45 0.00 0.00 54.58 54.72 1bir n ASN 84 Cb 0.37 -4.56 -0.06 0.00 1.23 0.00 0.00 39.78 36.76 1bir n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1bir s GLN 85 N -5.13 3.94 -0.12 1.20 -0.21 -1.26 -4.86 119.66 113.23 1bir s GLN 85 Ca 0.08 0.44 -0.30 0.00 0.02 0.00 0.00 55.36 55.60 1bir s GLN 85 Cb -0.03 -3.18 -0.02 0.00 1.00 0.00 0.00 33.01 30.78 1bir s GLN 85 CO 0.09 0.66 1.19 -1.17 -2.12 0.00 0.00 175.29 173.94 1bir s LEU 86 N -1.22 4.22 -0.19 2.90 0.20 -1.26 -1.69 118.68 121.64 1bir s LEU 86 Ca 0.26 1.70 -0.17 0.00 0.69 0.00 0.00 54.13 56.62 1bir s LEU 86 Cb -0.17 -3.55 -0.21 0.00 -0.43 0.00 0.00 46.19 41.84 1bir s LEU 86 CO 0.15 -0.65 0.23 0.00 -0.29 0.00 0.00 176.35 175.79 1bir n ALA 87 N 5.82 0.84 0.00 5.97 0.00 0.41 -4.83 120.51 128.72 1bir n ALA 87 Ca 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1bir n ALA 87 Cb 0.46 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1bir n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bir n GLY 88 N 1.60 -0.09 3.19 0.00 0.00 -1.12 -4.72 105.19 104.06 1bir n GLY 88 Ca -0.33 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 1bir n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bir s VAL 89 N -2.00 2.34 0.33 1.61 1.01 -1.26 -0.73 120.40 121.70 1bir s VAL 89 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1bir s VAL 89 Cb 0.00 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.34 1bir s VAL 89 CO 0.00 0.53 -0.07 0.27 0.00 0.00 0.00 175.10 175.83 1bir s ILE 90 N 1.05 2.00 0.01 2.22 -4.36 0.15 -1.08 121.20 121.18 1bir s ILE 90 Ca -0.01 -2.15 -0.09 0.00 -0.26 0.00 0.00 60.65 58.14 1bir s ILE 90 Cb -0.14 -2.64 0.01 0.00 1.25 0.00 0.00 42.46 40.93 1bir s ILE 90 CO -0.06 -0.20 0.18 0.28 0.24 0.00 0.00 174.94 175.38 1bir s THR 91 N -2.76 0.08 -0.78 8.37 -1.32 -0.13 -0.37 115.64 118.73 1bir s THR 91 Ca 0.32 -0.70 0.25 0.00 -1.21 0.00 0.00 61.69 60.35 1bir s THR 91 Cb 0.04 -0.56 0.06 0.00 -1.51 0.00 0.00 72.50 70.54 1bir s THR 91 CO 0.15 -0.39 1.42 1.41 -2.21 0.00 0.00 174.62 175.01 1bir n HIS 92 N 1.27 0.37 -1.98 9.09 8.25 -0.25 -1.12 115.22 130.85 1bir n HIS 92 Ca -0.22 0.11 -0.42 0.00 -0.26 0.00 0.00 57.72 56.93 1bir n HIS 92 Cb 0.56 -0.54 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 1bir n HIS 92 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1bir s THR 93 N -3.10 2.76 0.00 1.59 2.01 -1.26 -2.28 115.64 115.36 1bir s THR 93 Ca 0.08 0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1bir s THR 93 Cb 0.15 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1bir s THR 93 CO 0.69 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.28 1bir n GLY 94 N 3.69 0.49 3.27 4.40 0.00 -1.26 -4.78 105.19 111.00 1bir n GLY 94 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1bir n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bir s ALA 95 N -2.11 2.05 0.34 4.61 0.00 -0.97 -4.98 121.76 120.71 1bir s ALA 95 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 1bir s ALA 95 Cb 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 23.12 22.45 1bir s ALA 95 CO 0.00 0.46 1.41 -1.12 0.00 0.00 0.00 175.76 176.51 1bir s SER 96 N -0.41 6.56 1.30 0.00 0.01 -1.26 -4.65 113.70 115.25 1bir s SER 96 Ca 0.05 2.85 0.00 0.00 1.31 0.00 0.00 55.95 60.16 1bir s SER 96 Cb -0.11 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1bir s SER 96 CO 0.01 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1bir n GLY 97 N 0.86 3.32 1.68 3.44 0.00 -1.26 -1.30 105.19 111.93 1bir n GLY 97 Ca 0.01 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1bir n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bir n ASN 98 N 4.21 5.25 -4.53 1.61 5.03 -1.26 -4.97 115.26 120.59 1bir n ASN 98 Ca 0.00 -2.82 -0.29 0.00 0.87 0.00 0.00 54.58 52.34 1bir n ASN 98 Cb 0.00 -0.64 0.16 0.00 -1.02 0.00 0.00 39.78 38.28 1bir n ASN 98 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1bir s ASN 99 N -0.97 3.01 0.05 6.41 -0.87 -0.42 -5.01 114.94 117.13 1bir s ASN 99 Ca 0.52 0.81 -0.00 0.00 -1.57 0.00 0.00 52.86 52.61 1bir s ASN 99 Cb 0.38 -1.25 -0.04 0.00 -0.02 0.00 0.00 41.25 40.33 1bir s ASN 99 CO 0.17 -2.85 -0.04 0.00 -2.57 0.00 0.00 177.10 171.82 1bir s ALA 100 N -3.32 0.49 0.16 0.60 0.00 -1.26 -4.42 121.76 114.00 1bir s ALA 100 Ca 0.67 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.60 1bir s ALA 100 Cb -0.12 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1bir s ALA 100 CO 0.54 -0.29 -0.11 0.14 0.00 0.00 0.00 175.76 176.04 1bir s VAL 101 N -3.23 1.26 0.32 0.00 -7.23 -0.28 -4.95 120.40 106.30 1bir s VAL 101 Ca 0.02 -2.08 -0.25 0.00 -1.81 0.00 0.00 61.98 57.86 1bir s VAL 101 Cb 0.03 -1.87 -0.10 0.00 0.56 0.00 0.00 36.38 35.00 1bir s VAL 101 CO -0.07 -0.72 0.92 -1.61 -0.31 0.00 0.00 175.10 173.32 1bir s GLU 102 N -3.70 4.51 0.30 4.82 2.02 -1.26 -0.96 118.70 124.42 1bir s GLU 102 Ca 0.17 1.25 -0.28 0.00 0.02 0.00 0.00 54.97 56.14 1bir s GLU 102 Cb 0.02 -2.73 -0.09 0.00 0.10 0.00 0.00 34.13 31.42 1bir s GLU 102 CO 0.02 0.26 0.97 0.00 0.02 0.00 0.00 175.26 176.52