#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q91 h PRO 4 N 6.75 0.59 -0.24 0.00 0.11 -2.06 -1.74 132.00 135.41 2q91 h PRO 4 Ca -0.43 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 2q91 h PRO 4 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2q91 h PRO 4 CO 0.91 0.39 -0.40 1.25 -0.21 0.00 0.00 178.00 179.95 2q91 h LEU 5 N 0.61 0.59 -0.46 2.35 5.85 -1.99 -0.38 115.31 121.87 2q91 h LEU 5 Ca 0.33 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 2q91 h LEU 5 Cb 0.48 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2q91 h LEU 5 CO -0.11 0.92 0.07 -0.33 -0.34 0.00 0.00 178.44 178.66 2q91 h GLU 6 N 0.46 0.77 -0.80 1.25 5.08 -1.74 -1.50 114.58 118.11 2q91 h GLU 6 Ca 0.04 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2q91 h GLU 6 Cb 0.89 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 2q91 h GLU 6 CO 0.08 0.78 0.51 0.87 -1.00 0.00 0.00 179.01 180.25 2q91 h LYS 7 N 0.63 1.06 -0.55 2.33 1.57 -1.25 -1.85 116.57 118.51 2q91 h LYS 7 Ca 0.14 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2q91 h LYS 7 Cb 0.39 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 2q91 h LYS 7 CO 0.01 0.72 0.26 0.00 -0.57 0.00 0.00 179.45 179.87 2q91 h ALA 8 N 1.28 0.71 -0.82 3.86 0.00 -0.84 -0.79 119.26 122.66 2q91 h ALA 8 Ca 0.29 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2q91 h ALA 8 Cb -0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2q91 h ALA 8 CO -0.06 -0.10 0.51 -0.07 0.00 0.00 0.00 179.25 179.52 2q91 h LEU 9 N 0.49 0.98 -1.15 0.00 3.38 -0.90 -0.92 115.31 117.18 2q91 h LEU 9 Ca 0.25 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2q91 h LEU 9 Cb 0.20 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2q91 h LEU 9 CO -0.20 0.74 0.45 0.44 0.09 0.00 0.00 178.44 179.96 2q91 h ASP 10 N 1.12 0.91 -0.55 -0.43 3.32 -0.53 -1.69 116.42 118.58 2q91 h ASP 10 Ca 0.30 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 2q91 h ASP 10 Cb -0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2q91 h ASP 10 CO -0.06 0.71 -0.04 0.58 -1.72 0.00 0.00 179.24 178.71 2q91 h VAL 11 N 1.05 1.27 -0.59 -1.35 2.07 -0.66 -0.45 116.25 117.58 2q91 h VAL 11 Ca 0.27 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.68 2q91 h VAL 11 Cb -0.03 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2q91 h VAL 11 CO -0.05 0.42 0.32 0.24 0.02 0.00 0.00 177.57 178.51 2q91 h MET 12 N 0.87 0.58 0.14 1.57 2.86 -0.59 -0.93 114.93 119.42 2q91 h MET 12 Ca 0.15 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2q91 h MET 12 Cb 0.59 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2q91 h MET 12 CO 0.04 0.38 -0.07 0.28 1.06 0.00 0.00 176.91 178.60 2q91 h VAL 13 N 0.60 1.01 -0.52 -2.22 2.07 -1.08 -3.09 116.25 113.02 2q91 h VAL 13 Ca 0.26 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 2q91 h VAL 13 Cb 0.17 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2q91 h VAL 13 CO -0.17 0.17 0.09 0.77 0.02 0.00 0.00 177.57 178.45 2q91 h SER 14 N -0.53 0.76 -0.28 0.57 4.64 -0.98 -2.69 113.55 115.05 2q91 h SER 14 Ca -0.02 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.07 2q91 h SER 14 Cb 0.42 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 2q91 h SER 14 CO 0.03 0.77 -0.12 0.74 -0.87 0.00 0.00 176.83 177.38 2q91 h THR 15 N 0.78 1.25 -0.18 2.95 2.02 -1.22 -0.40 112.91 118.11 2q91 h THR 15 Ca 0.17 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.23 2q91 h THR 15 Cb 0.33 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2q91 h THR 15 CO 0.00 0.38 0.08 0.15 0.37 0.00 0.00 175.52 176.51 2q91 h PHE 16 N 0.63 0.15 -0.03 3.16 3.57 -1.39 -2.87 116.94 120.16 2q91 h PHE 16 Ca 0.11 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 2q91 h PHE 16 Cb 0.56 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2q91 h PHE 16 CO 0.03 0.08 -0.51 0.45 -2.23 0.00 0.00 178.31 176.13 2q91 h HIS 17 N 0.18 0.10 -0.98 0.41 3.86 -1.30 0.73 115.15 118.15 2q91 h HIS 17 Ca 0.07 -0.03 0.24 0.00 -1.16 0.00 0.00 60.37 59.50 2q91 h HIS 17 Cb 0.02 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 28.40 2q91 h HIS 17 CO -0.10 0.57 0.65 -0.22 0.86 0.00 0.00 177.93 179.69 2q91 h LYS 18 N 0.06 0.35 0.00 2.45 3.64 -0.84 -3.09 116.57 119.13 2q91 h LYS 18 Ca -0.00 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.14 2q91 h LYS 18 Cb 0.92 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 2q91 h LYS 18 CO 0.07 0.23 -1.84 0.66 -2.27 0.00 0.00 179.45 176.30 2q91 n TYR 19 N -4.52 0.00 0.25 1.91 4.01 -1.02 -4.61 117.16 113.17 2q91 n TYR 19 Ca 0.22 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.07 2q91 n TYR 19 Cb 0.82 -0.59 0.63 0.00 -0.31 0.00 0.00 39.34 39.90 2q91 n TYR 19 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2q91 h SER 20 N 0.00 0.00 0.21 7.72 4.64 -0.89 -2.59 113.55 122.63 2q91 h SER 20 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2q91 h SER 20 Cb 1.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 2q91 h SER 20 CO -0.01 0.17 -0.05 0.61 -0.87 0.00 0.00 176.83 176.68 2q91 n GLY 21 N -0.55 -0.82 0.22 -0.77 0.00 -1.17 -4.17 105.19 97.92 2q91 n GLY 21 Ca -0.02 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 2q91 n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q91 h LYS 22 N 0.66 0.52 -3.39 1.61 1.57 -1.73 -3.46 116.57 112.36 2q91 h LYS 22 Ca 0.00 -0.28 -0.17 0.00 -1.87 0.00 0.00 60.65 58.32 2q91 h LYS 22 Cb 0.27 0.01 -0.25 0.00 0.08 0.00 0.00 32.23 32.35 2q91 h LYS 22 CO 0.00 0.87 -0.52 -1.21 -0.57 0.00 0.00 179.45 178.03 2q91 s GLU 23 N -4.14 0.28 5.52 3.15 2.02 -1.26 -5.11 118.70 119.16 2q91 s GLU 23 Ca -0.07 0.04 0.00 0.00 0.02 0.00 0.00 54.97 54.96 2q91 s GLU 23 Cb 0.12 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.48 2q91 s GLU 23 CO 0.82 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.46 2q91 n GLY 24 N 2.53 2.92 3.68 -1.39 0.00 -1.26 -4.45 105.19 107.22 2q91 n GLY 24 Ca -0.16 -0.29 -0.50 0.00 0.00 0.00 0.00 46.02 45.08 2q91 n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2q91 n ASP 25 N 1.41 3.17 0.00 1.61 -0.08 -1.26 -4.82 116.55 116.57 2q91 n ASP 25 Ca 0.00 1.01 0.15 0.00 -1.51 0.00 0.00 54.79 54.43 2q91 n ASP 25 Cb 0.00 -1.34 0.73 0.00 2.34 0.00 0.00 41.12 42.85 2q91 n ASP 25 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2q91 n LYS 26 N 5.86 0.34 -0.14 -0.67 5.02 -1.26 -3.16 118.16 124.15 2q91 n LYS 26 Ca 0.22 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.57 2q91 n LYS 26 Cb 0.26 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.90 2q91 n LYS 26 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2q91 n PHE 27 N -1.33 0.37 -4.02 2.13 3.72 -1.26 -3.27 117.46 113.81 2q91 n PHE 27 Ca 0.13 -0.42 -0.09 0.00 -0.05 0.00 0.00 57.45 57.01 2q91 n PHE 27 Cb 0.26 -0.02 -0.11 0.00 -0.94 0.00 0.00 39.48 38.66 2q91 n PHE 27 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2q91 s LYS 28 N -0.98 0.42 -0.24 -1.08 1.02 -1.19 -4.21 119.74 113.49 2q91 s LYS 28 Ca 0.21 -0.79 -0.16 0.00 0.02 0.00 0.00 55.97 55.24 2q91 s LYS 28 Cb 0.11 0.07 -0.03 0.00 -0.52 0.00 0.00 37.83 37.45 2q91 s LYS 28 CO 0.15 -0.05 0.43 -0.51 -0.92 0.00 0.00 175.35 174.45 2q91 s LEU 29 N -1.86 4.10 0.00 3.17 1.43 0.21 -4.67 118.68 121.06 2q91 s LEU 29 Ca -0.09 0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 53.39 2q91 s LEU 29 Cb -0.05 -2.54 0.14 0.00 0.03 0.00 0.00 46.19 43.77 2q91 s LEU 29 CO -0.03 -0.17 0.89 -0.46 0.23 0.00 0.00 176.35 176.81 2q91 n ASN 30 N 5.00 0.36 -0.14 2.29 0.23 -1.26 -0.98 115.26 120.76 2q91 n ASN 30 Ca -0.07 -1.50 -0.04 0.00 -0.53 0.00 0.00 54.58 52.43 2q91 n ASN 30 Cb 0.51 -0.65 0.04 0.00 -2.08 0.00 0.00 39.78 37.60 2q91 n ASN 30 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2q91 h LYS 31 N 0.00 0.33 -0.58 -3.83 1.63 -1.99 -0.58 116.57 111.55 2q91 h LYS 31 Ca -0.29 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.44 2q91 h LYS 31 Cb 0.87 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.40 2q91 h LYS 31 CO 0.23 0.22 0.14 0.77 -3.45 0.00 0.00 179.45 177.37 2q91 h SER 32 N 0.34 0.88 -0.57 4.20 0.02 -2.00 -1.18 113.55 115.25 2q91 h SER 32 Ca 0.21 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 2q91 h SER 32 Cb 0.19 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2q91 h SER 32 CO -0.20 0.88 0.04 -0.33 -1.14 0.00 0.00 176.83 176.08 2q91 h GLU 33 N 0.83 0.98 -0.74 3.45 5.08 -1.83 -2.48 114.58 119.86 2q91 h GLU 33 Ca 0.18 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2q91 h GLU 33 Cb 0.34 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2q91 h GLU 33 CO 0.00 0.96 0.29 1.25 -1.00 0.00 0.00 179.01 180.51 2q91 h LEU 34 N 0.87 1.02 -0.38 1.33 5.85 -0.83 -0.79 115.31 122.38 2q91 h LEU 34 Ca 0.17 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2q91 h LEU 34 Cb 0.49 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2q91 h LEU 34 CO 0.02 0.91 0.25 0.50 -0.34 0.00 0.00 178.44 179.78 2q91 h LYS 35 N 1.08 0.49 -0.35 1.25 3.64 -1.04 -0.78 116.57 120.86 2q91 h LYS 35 Ca 0.25 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2q91 h LYS 35 Cb 0.21 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2q91 h LYS 35 CO -0.02 0.32 0.08 1.49 -2.27 0.00 0.00 179.45 179.05 2q91 h GLU 36 N 0.50 0.57 0.24 1.90 4.81 -1.15 -0.57 114.58 120.88 2q91 h GLU 36 Ca 0.14 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2q91 h GLU 36 Cb -0.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2q91 h GLU 36 CO -0.04 0.62 -0.17 1.25 -0.73 0.00 0.00 179.01 179.94 2q91 h LEU 37 N 0.42 -0.44 0.03 1.64 6.46 -0.86 -0.56 115.31 122.00 2q91 h LEU 37 Ca 0.11 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 2q91 h LEU 37 Cb 0.31 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 2q91 h LEU 37 CO 0.00 -0.27 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.41 2q91 h LEU 38 N -0.41 -0.21 -0.55 2.25 3.38 -1.11 0.17 115.31 118.82 2q91 h LEU 38 Ca -0.02 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2q91 h LEU 38 Cb 0.36 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2q91 h LEU 38 CO 0.00 -0.11 0.35 0.74 0.09 0.00 0.00 178.44 179.51 2q91 h THR 39 N -0.15 1.10 0.01 0.22 2.02 -1.00 -1.04 112.91 114.07 2q91 h THR 39 Ca 0.02 -0.24 -0.28 0.00 0.77 0.00 0.00 66.41 66.68 2q91 h THR 39 Cb 0.17 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 2q91 h THR 39 CO -0.05 0.13 -1.56 0.03 0.37 0.00 0.00 175.52 174.43 2q91 h ARG 40 N 0.71 0.01 0.00 6.66 3.08 -0.98 -3.36 114.38 120.49 2q91 h ARG 40 Ca 0.21 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.13 2q91 h ARG 40 Cb -0.03 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2q91 h ARG 40 CO -0.07 0.63 -1.48 0.39 -1.07 0.00 0.00 179.97 178.36 2q91 n GLU 41 N -3.13 2.40 -2.53 0.04 -0.58 0.57 -4.71 120.64 112.71 2q91 n GLU 41 Ca -0.14 -0.01 -0.17 0.00 -0.42 0.00 0.00 57.16 56.42 2q91 n GLU 41 Cb 1.03 -1.19 0.02 0.00 -0.57 0.00 0.00 31.44 30.73 2q91 n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2q91 n LEU 42 N -2.20 3.20 0.27 -4.62 4.77 -0.43 -4.94 117.00 113.05 2q91 n LEU 42 Ca -0.10 -4.39 0.11 0.00 -0.03 0.00 0.00 56.01 51.59 2q91 n LEU 42 Cb 0.66 -0.02 0.73 0.00 -2.33 0.00 0.00 43.42 42.45 2q91 n LEU 42 CO 0.16 1.86 1.04 1.55 -1.33 0.00 0.00 177.39 180.66 2q91 h PRO 43 N 2.70 0.00 0.00 3.23 0.13 -1.61 -1.02 132.00 135.43 2q91 h PRO 43 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 2q91 h PRO 43 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2q91 h PRO 43 CO 0.65 0.06 -0.09 0.77 -0.23 0.00 0.00 178.00 179.16 2q91 h SER 44 N 0.00 0.00 0.52 1.44 0.02 -1.92 -1.92 113.55 111.69 2q91 h SER 44 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2q91 h SER 44 Cb 0.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.67 2q91 h SER 44 CO 0.01 0.09 -0.25 0.15 -1.14 0.00 0.00 176.83 175.68 2q91 h PHE 45 N 0.00 -0.65 0.00 3.45 3.57 -1.53 -3.30 116.94 118.47 2q91 h PHE 45 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2q91 h PHE 45 Cb 0.28 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 2q91 h PHE 45 CO 0.00 -0.40 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.34 2q91 h LEU 46 N -0.86 0.00 0.00 0.59 3.38 -1.70 -3.48 115.31 113.24 2q91 h LEU 46 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2q91 h LEU 46 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2q91 h LEU 46 CO 0.12 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2q91 n GLY 47 N 1.13 4.04 0.04 0.83 0.00 -0.72 -1.07 105.19 109.44 2q91 n GLY 47 Ca 0.03 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.28 2q91 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q91 n LYS 48 N 14.00 0.36 -2.33 1.61 5.02 -1.26 -4.58 118.16 130.98 2q91 n LYS 48 Ca 0.00 -0.09 -0.43 0.00 -2.02 0.00 0.00 58.31 55.78 2q91 n LYS 48 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 2q91 n LYS 48 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2q91 n ARG 49 N -1.25 3.56 -0.40 1.97 5.12 -0.23 -4.56 116.66 120.87 2q91 n ARG 49 Ca 0.11 -3.49 0.08 0.00 -1.93 0.00 0.00 57.85 52.62 2q91 n ARG 49 Cb 0.29 -2.95 0.25 0.00 -1.16 0.00 0.00 32.46 28.89 2q91 n ARG 49 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2q91 n THR 50 N 3.51 1.69 -1.58 0.55 -2.24 -1.26 -4.72 114.28 110.23 2q91 n THR 50 Ca 0.40 -1.36 -0.29 0.00 -2.27 0.00 0.00 64.05 60.53 2q91 n THR 50 Cb 0.37 0.13 0.11 0.00 -2.10 0.00 0.00 70.33 68.85 2q91 n THR 50 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2q91 s ASP 51 N -1.30 3.97 0.25 3.42 -4.77 -1.26 -4.89 116.67 112.10 2q91 s ASP 51 Ca 0.38 1.07 -0.05 0.00 -3.30 0.00 0.00 52.55 50.65 2q91 s ASP 51 Cb 0.26 -1.71 0.28 0.00 -1.09 0.00 0.00 42.92 40.66 2q91 s ASP 51 CO 0.16 -2.27 1.83 -0.33 0.70 0.00 0.00 175.17 175.26 2q91 h GLU 52 N -1.30 1.08 -0.69 2.11 4.39 -2.00 -2.36 114.58 115.81 2q91 h GLU 52 Ca -0.49 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.03 2q91 h GLU 52 Cb 1.31 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 2q91 h GLU 52 CO 0.61 0.86 0.40 0.00 -1.16 0.00 0.00 179.01 179.72 2q91 h ALA 53 N 1.28 0.88 -0.59 3.43 0.00 -1.98 -0.65 119.26 121.63 2q91 h ALA 53 Ca 0.25 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2q91 h ALA 53 Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2q91 h ALA 53 CO -0.03 0.38 0.27 0.00 0.00 0.00 0.00 179.25 179.87 2q91 h ALA 54 N 1.20 0.77 -0.21 0.00 0.00 -1.79 -1.80 119.26 117.43 2q91 h ALA 54 Ca 0.25 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2q91 h ALA 54 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2q91 h ALA 54 CO -0.04 0.35 -0.39 0.74 0.00 0.00 0.00 179.25 179.90 2q91 h PHE 55 N 0.81 0.56 -0.43 0.00 0.04 -1.18 0.83 116.94 117.57 2q91 h PHE 55 Ca 0.20 -0.16 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 2q91 h PHE 55 Cb 0.14 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2q91 h PHE 55 CO 0.00 0.80 -0.17 0.37 -0.60 0.00 0.00 178.31 178.71 2q91 h GLN 56 N 0.40 0.88 -0.47 1.51 5.75 -0.95 0.16 115.11 122.38 2q91 h GLN 56 Ca 0.04 -0.37 -0.04 0.00 -0.15 0.00 0.00 58.65 58.13 2q91 h GLN 56 Cb 0.86 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.36 2q91 h GLN 56 CO 0.07 1.01 0.15 -0.22 -2.65 0.00 0.00 178.83 177.20 2q91 h LYS 57 N 0.70 0.73 -0.33 1.69 1.63 -1.03 -1.21 116.57 118.75 2q91 h LYS 57 Ca 0.10 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2q91 h LYS 57 Cb 0.73 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 2q91 h LYS 57 CO 0.06 0.69 0.21 1.25 -3.45 0.00 0.00 179.45 178.20 2q91 h LEU 58 N 0.63 0.39 -0.30 5.20 5.85 -0.62 -0.33 115.31 126.13 2q91 h LEU 58 Ca 0.15 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2q91 h LEU 58 Cb 0.26 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2q91 h LEU 58 CO -0.01 0.31 0.18 -0.03 -0.34 0.00 0.00 178.44 178.55 2q91 h MET 59 N 0.44 0.36 -0.09 1.25 4.05 -0.81 -0.03 114.93 120.10 2q91 h MET 59 Ca 0.12 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 2q91 h MET 59 Cb -0.02 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 2q91 h MET 59 CO -0.02 0.24 -0.25 0.66 0.23 0.00 0.00 176.91 177.77 2q91 h SER 60 N 0.37 0.14 -0.57 1.39 4.64 -1.04 0.06 113.55 118.55 2q91 h SER 60 Ca 0.12 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.29 2q91 h SER 60 Cb -0.01 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 2q91 h SER 60 CO -0.05 0.40 -0.07 0.78 -0.87 0.00 0.00 176.83 177.02 2q91 h ASN 61 N 0.13 1.04 0.86 4.97 2.35 -0.34 -3.28 115.58 121.32 2q91 h ASN 61 Ca 0.02 -0.33 -0.23 0.00 -0.55 0.00 0.00 56.30 55.21 2q91 h ASN 61 Cb 0.51 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 2q91 h ASN 61 CO 0.04 1.13 -1.17 -0.07 -1.65 0.00 0.00 177.43 175.70 2q91 h LEU 62 N 0.94 0.04 -6.82 1.61 3.38 -0.61 -3.40 115.31 110.46 2q91 h LEU 62 Ca 0.15 -0.05 -0.73 0.00 0.09 0.00 0.00 57.88 57.35 2q91 h LEU 62 Cb 0.63 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.25 2q91 h LEU 62 CO 0.04 1.04 2.22 -0.67 0.09 0.00 0.00 178.44 181.16 2q91 n ASP 63 N -3.31 4.76 0.24 -0.43 2.03 -0.03 -4.77 116.55 115.04 2q91 n ASP 63 Ca -0.04 -2.98 0.12 0.00 0.52 0.00 0.00 54.79 52.40 2q91 n ASP 63 Cb 0.97 -1.59 0.53 0.00 -0.72 0.00 0.00 41.12 40.31 2q91 n ASP 63 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2q91 h SER 64 N 6.39 0.00 -0.14 1.67 4.64 -1.82 -2.42 113.55 121.87 2q91 h SER 64 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2q91 h SER 64 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2q91 h SER 64 CO 1.59 0.17 0.00 -0.46 -0.87 0.00 0.00 176.83 177.26 2q91 n ASN 65 N -3.36 1.85 -3.67 4.97 6.94 -1.26 -4.95 115.26 115.78 2q91 n ASN 65 Ca -0.00 -1.69 -0.25 0.00 -0.02 0.00 0.00 54.58 52.61 2q91 n ASN 65 Cb 0.38 -0.08 0.07 0.00 -2.36 0.00 0.00 39.78 37.79 2q91 n ASN 65 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2q91 n ARG 66 N 0.44 -7.27 -0.36 -3.83 1.74 -0.91 -4.88 116.66 101.58 2q91 n ARG 66 Ca 0.17 0.77 0.09 0.00 -0.77 0.00 0.00 57.85 58.11 2q91 n ARG 66 Cb 0.38 -5.78 0.26 0.00 -1.02 0.00 0.00 32.46 26.30 2q91 n ARG 66 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2q91 n ASP 67 N -2.98 3.75 0.00 0.55 5.75 -1.26 -4.98 116.55 117.38 2q91 n ASP 67 Ca -0.00 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 2q91 n ASP 67 Cb 0.56 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2q91 n ASP 67 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2q91 n ASN 68 N 0.88 -2.50 -4.25 -1.12 3.02 -1.26 -4.99 115.26 105.03 2q91 n ASN 68 Ca 0.20 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.61 2q91 n ASN 68 Cb 0.64 -1.24 -0.10 0.00 -0.61 0.00 0.00 39.78 38.47 2q91 n ASN 68 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2q91 s GLU 69 N -0.53 1.26 -0.27 3.52 2.02 -1.26 -4.67 118.70 118.76 2q91 s GLU 69 Ca 0.00 -1.66 -0.04 0.00 0.02 0.00 0.00 54.97 53.29 2q91 s GLU 69 Cb 0.00 -0.05 0.01 0.00 0.10 0.00 0.00 34.13 34.19 2q91 s GLU 69 CO 0.00 -0.30 0.01 0.08 0.02 0.00 0.00 175.26 175.07 2q91 s VAL 70 N -3.90 3.48 0.76 2.63 1.01 -0.15 -4.70 120.40 119.52 2q91 s VAL 70 Ca 0.35 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2q91 s VAL 70 Cb 0.07 -2.76 0.14 0.00 0.00 0.00 0.00 36.38 33.84 2q91 s VAL 70 CO 0.11 0.17 1.04 1.51 0.00 0.00 0.00 175.10 177.93 2q91 s ASP 71 N 1.43 4.14 0.23 3.32 1.47 -1.26 -0.62 116.67 125.38 2q91 s ASP 71 Ca 0.02 -0.37 -0.05 0.00 1.18 0.00 0.00 52.55 53.33 2q91 s ASP 71 Cb -0.17 0.08 0.24 0.00 -0.34 0.00 0.00 42.92 42.74 2q91 s ASP 71 CO -0.01 -2.02 1.73 0.15 0.68 0.00 0.00 175.17 175.70 2q91 h PHE 72 N -0.68 0.97 -0.27 2.11 3.57 -2.00 -0.15 116.94 120.50 2q91 h PHE 72 Ca -0.36 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.00 2q91 h PHE 72 Cb 1.26 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2q91 h PHE 72 CO -0.35 0.87 0.17 0.37 -2.23 0.00 0.00 178.31 177.14 2q91 h GLN 73 N 0.85 0.36 -0.47 1.11 4.15 -1.96 0.32 115.11 119.47 2q91 h GLN 73 Ca 0.16 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2q91 h GLN 73 Cb 0.47 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 2q91 h GLN 73 CO 0.02 0.26 0.22 0.93 -1.93 0.00 0.00 178.83 178.32 2q91 h GLU 74 N 0.36 0.66 -0.34 1.69 5.08 -1.79 -1.60 114.58 118.64 2q91 h GLU 74 Ca 0.10 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 2q91 h GLU 74 Cb -0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2q91 h GLU 74 CO -0.02 0.52 -0.36 -0.92 -1.00 0.00 0.00 179.01 177.23 2q91 h TYR 75 N 0.66 0.91 -0.63 4.33 3.20 -0.51 -1.70 116.97 123.24 2q91 h TYR 75 Ca 0.17 -0.26 -0.06 0.00 3.14 0.00 0.00 58.73 61.71 2q91 h TYR 75 Cb 0.09 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 2q91 h TYR 75 CO 0.01 1.02 0.14 0.00 -1.64 0.00 0.00 178.16 177.69 2q91 h VAL 77 N 0.96 1.20 0.10 0.00 2.07 -1.13 -0.21 116.25 119.24 2q91 h VAL 77 Ca 0.20 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2q91 h VAL 77 Cb 0.35 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2q91 h VAL 77 CO 0.00 0.20 -0.05 0.15 0.02 0.00 0.00 177.57 177.89 2q91 h PHE 78 N 1.08 -0.13 -0.93 1.57 3.57 -0.77 -0.85 116.94 120.49 2q91 h PHE 78 Ca 0.30 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.82 2q91 h PHE 78 Cb -0.12 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 2q91 h PHE 78 CO -0.02 -0.02 0.61 -0.07 -2.23 0.00 0.00 178.31 176.58 2q91 h LEU 79 N -0.19 1.04 -0.72 0.59 3.38 -0.81 -1.26 115.31 117.33 2q91 h LEU 79 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2q91 h LEU 79 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2q91 h LEU 79 CO 0.02 0.73 0.38 0.28 0.09 0.00 0.00 178.44 179.95 2q91 h SER 80 N 1.21 0.92 -0.35 -0.43 0.02 -0.82 0.45 113.55 114.55 2q91 h SER 80 Ca 0.35 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2q91 h SER 80 Cb -0.07 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 2q91 h SER 80 CO -0.09 0.76 0.22 0.00 -1.14 0.00 0.00 176.83 176.57 2q91 h ILE 82 N 0.46 0.79 -0.97 0.00 2.04 -0.93 -0.95 117.51 117.94 2q91 h ILE 82 Ca 0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.99 2q91 h ILE 82 Cb -0.01 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2q91 h ILE 82 CO -0.02 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.76 2q91 h ALA 83 N 1.19 1.24 -0.78 1.87 0.00 -0.62 0.07 119.26 122.23 2q91 h ALA 83 Ca 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2q91 h ALA 83 Cb 0.15 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2q91 h ALA 83 CO -0.21 0.64 0.33 0.52 0.00 0.00 0.00 179.25 180.53 2q91 h MET 84 N 1.33 1.15 -0.26 0.00 2.86 -0.57 0.13 114.93 119.57 2q91 h MET 84 Ca 0.36 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2q91 h MET 84 Cb -0.13 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.32 2q91 h MET 84 CO -0.07 0.92 0.02 0.52 1.06 0.00 0.00 176.91 179.36 2q91 h MET 85 N 1.13 0.45 -0.90 1.72 2.07 -0.40 -2.64 114.93 116.35 2q91 h MET 85 Ca 0.26 -0.13 0.07 0.00 -2.07 0.00 0.00 59.70 57.83 2q91 h MET 85 Cb 0.19 -0.05 -0.07 0.00 -1.87 0.00 0.00 31.60 29.81 2q91 h MET 85 CO -0.02 0.59 0.56 0.00 1.07 0.00 0.00 176.91 179.11 2q91 h ASN 87 N 1.01 0.13 -0.02 0.00 -1.24 -0.49 -2.00 115.58 112.96 2q91 h ASN 87 Ca 0.40 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.41 2q91 h ASN 87 Cb 0.21 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.23 2q91 h ASN 87 CO -0.19 0.15 0.05 -0.33 -1.29 0.00 0.00 177.43 175.82 2q91 h GLU 88 N 0.14 0.00 -0.40 6.67 4.39 -1.09 -2.31 114.58 121.98 2q91 h GLU 88 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2q91 h GLU 88 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2q91 h GLU 88 CO -0.00 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 179.04 2q91 n PHE 89 N -3.46 0.53 -0.32 4.33 3.72 -0.75 -4.36 117.46 117.15 2q91 n PHE 89 Ca -0.02 -0.35 -0.01 0.00 -0.05 0.00 0.00 57.45 57.01 2q91 n PHE 89 Cb 0.13 -0.01 0.16 0.00 -0.94 0.00 0.00 39.48 38.82 2q91 n PHE 89 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2q91 h PHE 90 N 3.35 1.15 -0.00 1.38 3.57 -1.46 -1.18 116.94 123.74 2q91 h PHE 90 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2q91 h PHE 90 Cb 0.84 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2q91 h PHE 90 CO 0.26 0.72 -0.03 0.39 -2.23 0.00 0.00 178.31 177.43 2q91 n GLU 91 N -4.40 0.37 -0.64 1.11 -0.58 -1.26 -4.92 120.64 110.32 2q91 n GLU 91 Ca 0.11 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2q91 n GLU 91 Cb 0.02 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 2q91 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2q91 n GLY 92 N 1.33 0.81 3.26 0.62 0.00 -0.45 -5.02 105.19 105.74 2q91 n GLY 92 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 2q91 n GLY 92 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2q91 s PHE 93 N -3.16 0.06 -0.55 1.61 -0.12 -1.26 -5.12 117.98 109.44 2q91 s PHE 93 Ca 0.00 -0.45 -0.27 0.00 -0.05 0.00 0.00 56.93 56.17 2q91 s PHE 93 Cb 0.00 0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 2q91 s PHE 93 CO 0.00 -0.62 1.93 -2.14 -0.05 0.00 0.00 175.22 174.34 2q91 s PRO 94 N -3.85 2.65 -0.49 1.99 0.02 -1.26 -4.75 135.00 129.30 2q91 s PRO 94 Ca 0.06 0.85 -0.12 0.00 0.02 0.00 0.00 61.00 61.80 2q91 s PRO 94 Cb 0.04 -4.39 0.12 0.00 0.02 0.00 0.00 34.50 30.28 2q91 s PRO 94 CO -0.10 -2.68 0.40 0.34 -0.33 0.00 0.00 177.00 174.63 2q91 s ASP 95 N 8.40 5.91 0.00 2.53 -1.08 -1.26 -4.88 116.67 126.29 2q91 s ASP 95 Ca 0.73 -1.79 0.00 0.00 -0.52 0.00 0.00 52.55 50.98 2q91 s ASP 95 Cb -0.15 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 2q91 s ASP 95 CO 0.23 -0.74 0.00 1.17 0.52 0.00 0.00 175.17 176.36 2q91 n LYS 96 N 5.06 0.00 0.00 4.34 4.81 -1.26 -5.08 118.16 126.03 2q91 n LYS 96 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 2q91 n LYS 96 Cb 0.41 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.46 2q91 n LYS 96 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57