#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2q n GLY 2 N 0.00 -0.31 1.33 -5.12 0.00 -1.26 -4.79 105.19 95.03 2k2q n GLY 2 Ca 0.00 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2k2q n GLY 2 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k2q n VAL 3 N -3.98 0.95 -1.44 1.61 0.24 -1.26 -4.94 118.33 109.51 2k2q n VAL 3 Ca -0.25 -0.96 -0.31 0.00 -2.04 0.00 0.00 64.34 60.78 2k2q n VAL 3 Cb 0.65 0.51 0.07 0.00 -1.47 0.00 0.00 33.84 33.60 2k2q n VAL 3 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2k2q s THR 4 N -1.05 3.48 -0.31 3.34 -4.23 -1.26 -4.69 115.64 110.91 2k2q s THR 4 Ca 0.48 0.52 -0.28 0.00 -1.18 0.00 0.00 61.69 61.24 2k2q s THR 4 Cb 0.25 -3.07 -0.06 0.00 1.34 0.00 0.00 72.50 70.97 2k2q s THR 4 CO 0.33 -0.59 2.29 -0.62 -0.54 0.00 0.00 174.62 175.49 2k2q n GLU 5 N -3.19 1.63 -2.40 3.99 4.71 -1.26 -4.70 120.64 119.43 2k2q n GLU 5 Ca 0.09 0.36 -0.41 0.00 -0.01 0.00 0.00 57.16 57.18 2k2q n GLU 5 Cb 0.53 -3.25 -0.03 0.00 -1.01 0.00 0.00 31.44 27.67 2k2q n GLU 5 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k2q s ALA 6 N 9.46 3.42 -0.35 0.62 0.00 0.56 -4.92 121.76 130.55 2k2q s ALA 6 Ca 1.01 0.92 0.26 0.00 0.00 0.00 0.00 51.96 54.15 2k2q s ALA 6 Cb -0.32 -3.41 0.64 0.00 0.00 0.00 0.00 23.12 20.03 2k2q s ALA 6 CO 0.33 -0.36 1.71 1.96 0.00 0.00 0.00 175.76 179.41 2k2q h GLN 7 N 5.42 0.00 -4.29 0.00 1.08 -1.91 -3.38 115.11 112.03 2k2q h GLN 7 Ca -0.44 0.00 -0.76 0.00 -1.45 0.00 0.00 58.65 56.00 2k2q h GLN 7 Cb 1.21 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.42 2k2q h GLN 7 CO 0.75 0.00 0.93 -0.47 -0.95 0.00 0.00 178.83 179.09 2k2q s TYR 8 N -3.30 3.78 -0.06 2.96 5.04 -1.26 -4.69 117.35 119.82 2k2q s TYR 8 Ca 0.06 -2.29 0.21 0.00 -2.44 0.00 0.00 57.07 52.62 2k2q s TYR 8 Cb 0.07 -4.11 -0.32 0.00 0.35 0.00 0.00 41.96 37.95 2k2q s TYR 8 CO 0.63 -1.22 0.45 1.55 -1.34 0.00 0.00 175.55 175.62 2k2q n VAL 9 N 3.93 0.20 -2.54 3.14 3.14 -1.26 -3.09 118.33 121.84 2k2q n VAL 9 Ca 0.30 -0.55 -0.43 0.00 -2.96 0.00 0.00 64.34 60.70 2k2q n VAL 9 Cb 0.42 -0.07 -0.02 0.00 -1.06 0.00 0.00 33.84 33.10 2k2q n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k2q s ALA 10 N -3.39 3.54 0.60 1.55 0.00 -1.26 -4.76 121.76 118.04 2k2q s ALA 10 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2k2q s ALA 10 Cb 0.13 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2k2q s ALA 10 CO 0.90 -1.40 0.00 -0.35 0.00 0.00 0.00 175.76 174.91 2k2q n PRO 11 N 6.81 0.69 0.03 0.00 -0.04 -1.26 -4.89 135.00 136.34 2k2q n PRO 11 Ca 0.13 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.40 2k2q n PRO 11 Cb 0.46 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.80 2k2q n PRO 11 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2k2q h THR 12 N -0.47 1.40 -3.94 0.52 1.35 -1.95 -3.47 112.91 106.34 2k2q h THR 12 Ca 0.00 -2.27 -0.26 0.00 -0.55 0.00 0.00 66.41 63.33 2k2q h THR 12 Cb 0.00 2.73 -0.15 0.00 -1.73 0.00 0.00 68.15 69.00 2k2q h THR 12 CO 0.00 0.67 -0.66 0.21 -0.25 0.00 0.00 175.52 175.49 2k2q s ASN 13 N -6.98 0.97 0.61 5.36 3.84 -1.26 -5.02 114.94 112.45 2k2q s ASN 13 Ca -0.12 -1.18 0.40 0.00 0.21 0.00 0.00 52.86 52.16 2k2q s ASN 13 Cb 0.04 0.17 1.97 0.00 -0.55 0.00 0.00 41.25 42.87 2k2q s ASN 13 CO 0.85 -0.61 2.19 0.00 -2.79 0.00 0.00 177.10 176.74 2k2q h ALA 14 N 2.74 1.00 -0.68 1.71 0.00 -2.00 -2.36 119.26 119.68 2k2q h ALA 14 Ca -0.36 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.59 2k2q h ALA 14 Cb 1.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2k2q h ALA 14 CO 0.62 0.00 0.41 0.28 0.00 0.00 0.00 179.25 180.56 2k2q h VAL 15 N 0.00 1.05 -0.54 0.00 2.07 -1.99 0.36 116.25 117.20 2k2q h VAL 15 Ca 0.00 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 2k2q h VAL 15 Cb 0.20 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2k2q h VAL 15 CO 0.00 0.14 -0.07 -0.33 0.02 0.00 0.00 177.57 177.33 2k2q h GLU 16 N 0.78 1.00 -0.41 1.57 3.07 -1.82 -2.81 114.58 115.97 2k2q h GLU 16 Ca 0.28 -0.35 -0.14 0.00 -0.50 0.00 0.00 59.36 58.65 2k2q h GLU 16 Cb 0.08 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2k2q h GLU 16 CO -0.13 1.03 -0.29 0.77 -1.40 0.00 0.00 179.01 178.99 2k2q h SER 17 N 0.88 0.92 -0.08 1.42 0.02 -1.43 0.16 113.55 115.44 2k2q h SER 17 Ca 0.14 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 2k2q h SER 17 Cb 0.63 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2k2q h SER 17 CO 0.04 1.14 0.01 0.50 -1.14 0.00 0.00 176.83 177.38 2k2q h LYS 18 N 0.75 0.21 0.06 3.45 3.64 -0.19 -1.33 116.57 123.15 2k2q h LYS 18 Ca 0.08 -0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 59.12 2k2q h LYS 18 Cb 0.85 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 2k2q h LYS 18 CO 0.07 0.22 -1.79 1.25 -2.27 0.00 0.00 179.45 176.94 2k2q h LEU 19 N 0.21 0.20 -0.78 5.20 5.85 -1.31 -3.37 115.31 121.30 2k2q h LEU 19 Ca 0.05 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 2k2q h LEU 19 Cb 0.13 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2k2q h LEU 19 CO 0.00 1.37 0.43 0.00 -0.34 0.00 0.00 178.44 179.90 2k2q h ALA 20 N 0.60 1.01 -0.21 1.25 0.00 -0.25 -2.11 119.26 119.55 2k2q h ALA 20 Ca -0.33 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.52 2k2q h ALA 20 Cb 2.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2k2q h ALA 20 CO 0.09 0.52 0.19 0.93 0.00 0.00 0.00 179.25 180.98 2k2q h GLU 21 N 1.09 0.00 0.00 0.00 4.39 -1.42 0.25 114.58 118.89 2k2q h GLU 21 Ca 0.28 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 2k2q h GLU 21 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2k2q h GLU 21 CO -0.04 0.00 -0.22 0.82 -1.16 0.00 0.00 179.01 178.40 2k2q h ILE 22 N 0.00 1.08 -0.35 3.13 2.04 -1.58 -3.22 117.51 118.61 2k2q h ILE 22 Ca 0.10 -1.88 -0.10 0.00 1.00 0.00 0.00 64.86 63.98 2k2q h ILE 22 Cb 0.47 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2k2q h ILE 22 CO -0.00 0.37 -0.16 -0.50 0.00 0.00 0.00 178.15 177.85 2k2q h TRP 23 N -1.00 0.84 0.00 1.37 -0.00 -1.17 -2.77 115.95 113.23 2k2q h TRP 23 Ca -0.05 -0.21 -0.04 0.00 -0.00 0.00 0.00 58.89 58.59 2k2q h TRP 23 Cb 0.75 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.71 2k2q h TRP 23 CO 0.15 0.93 -0.19 1.49 -0.00 0.00 0.00 178.44 180.81 2k2q h GLU 24 N 0.51 0.00 -0.01 0.49 4.57 -0.70 0.65 114.58 120.09 2k2q h GLU 24 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2k2q h GLU 24 Cb 0.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2k2q h GLU 24 CO 0.05 0.19 -0.06 0.54 -1.18 0.00 0.00 179.01 178.55 2k2q n ARG 25 N -4.10 1.38 0.09 1.92 3.00 -1.13 0.02 116.66 117.84 2k2q n ARG 25 Ca -0.02 -0.73 0.00 0.00 -0.01 0.00 0.00 57.85 57.08 2k2q n ARG 25 Cb 0.26 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.24 2k2q n ARG 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2k2q n VAL 26 N -0.17 0.52 -0.01 1.55 0.31 -0.67 -4.90 118.33 114.95 2k2q n VAL 26 Ca 0.18 0.17 -0.19 0.00 -0.01 0.00 0.00 64.34 64.49 2k2q n VAL 26 Cb 0.33 -1.02 -0.14 0.00 -0.91 0.00 0.00 33.84 32.10 2k2q n VAL 26 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2k2q n LEU 27 N -3.40 2.32 0.00 7.52 7.94 0.19 -4.74 117.00 126.83 2k2q n LEU 27 Ca 0.00 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 2k2q n LEU 27 Cb 0.03 -0.85 0.00 0.00 0.53 0.00 0.00 43.42 43.13 2k2q n LEU 27 CO 0.00 0.78 0.07 0.61 -1.11 0.00 0.00 177.39 177.74 2k2q n GLY 28 N 1.94 -0.52 3.69 -3.96 0.00 0.11 -4.93 105.19 101.52 2k2q n GLY 28 Ca -0.31 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 2k2q n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k2q n VAL 29 N -0.26 -4.18 0.00 1.61 0.31 0.10 -4.82 118.33 111.10 2k2q n VAL 29 Ca 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2k2q n VAL 29 Cb 0.00 -3.82 0.00 0.00 -0.91 0.00 0.00 33.84 29.11 2k2q n VAL 29 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2k2q n SER 30 N -3.03 0.00 -0.35 4.52 7.64 -1.26 -5.07 113.62 116.07 2k2q n SER 30 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 2k2q n SER 30 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2k2q n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k2q n GLY 31 N 0.10 0.80 0.00 0.23 0.00 -1.26 -4.02 105.19 101.05 2k2q n GLY 31 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2k2q n GLY 31 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k2q n ILE 32 N -0.35 0.00 0.00 -0.61 -5.35 -1.26 -0.32 119.36 111.46 2k2q n ILE 32 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2k2q n ILE 32 Cb 0.13 -1.04 0.00 0.00 -1.74 0.00 0.00 39.64 36.98 2k2q n ILE 32 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k2q n GLY 33 N 5.00 -0.66 2.76 3.28 0.00 -1.26 -4.72 105.19 109.58 2k2q n GLY 33 Ca 0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2k2q n GLY 33 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k2q n ILE 34 N 0.00 4.57 -2.17 -0.61 2.08 -1.18 -4.49 119.36 117.56 2k2q n ILE 34 Ca 0.00 -5.27 0.04 0.00 0.56 0.00 0.00 62.75 58.09 2k2q n ILE 34 Cb 0.00 -1.40 0.07 0.00 -0.75 0.00 0.00 39.64 37.56 2k2q n ILE 34 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2k2q n LEU 35 N -0.29 1.40 -0.59 1.39 4.77 -1.26 -5.01 117.00 117.41 2k2q n LEU 35 Ca 0.47 -2.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.01 2k2q n LEU 35 Cb 0.30 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2k2q n LEU 35 CO 0.48 0.72 -0.16 -0.67 -1.33 0.00 0.00 177.39 176.43 2k2q n ASP 36 N -0.03 -4.11 -2.13 -1.43 2.03 -1.26 -5.13 116.55 104.49 2k2q n ASP 36 Ca 0.09 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.84 2k2q n ASP 36 Cb 0.97 -1.01 0.01 0.00 -0.72 0.00 0.00 41.12 40.37 2k2q n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k2q n ASN 37 N -0.52 -0.61 0.28 1.67 2.04 -1.23 -4.93 115.26 111.96 2k2q n ASN 37 Ca 0.00 -1.22 0.18 0.00 -0.44 0.00 0.00 54.58 53.10 2k2q n ASN 37 Cb 0.00 0.97 0.97 0.00 -2.53 0.00 0.00 39.78 39.19 2k2q n ASN 37 CO 0.00 0.00 0.00 2.19 -0.44 0.00 0.00 177.26 179.01 2k2q h PHE 38 N 1.43 0.00 0.00 -2.53 -5.15 -1.93 -3.27 116.94 105.49 2k2q h PHE 38 Ca -0.10 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.67 2k2q h PHE 38 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.68 2k2q h PHE 38 CO 0.00 0.00 0.00 0.34 -2.00 0.00 0.00 178.31 176.65 2k2q n PHE 39 N -3.49 0.00 -2.36 6.09 7.35 -1.26 -4.37 117.46 119.42 2k2q n PHE 39 Ca -0.01 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.26 2k2q n PHE 39 Cb 0.20 -0.11 -0.03 0.00 0.35 0.00 0.00 39.48 39.89 2k2q n PHE 39 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2k2q s GLN 40 N -0.24 3.31 0.00 -4.13 1.11 -1.23 -3.36 119.66 115.12 2k2q s GLN 40 Ca 0.00 0.55 0.00 0.00 0.01 0.00 0.00 55.36 55.92 2k2q s GLN 40 Cb 0.00 -4.12 0.00 0.00 -1.01 0.00 0.00 33.01 27.88 2k2q s GLN 40 CO 0.00 -1.92 0.00 1.51 0.01 0.00 0.00 175.29 174.89 2k2q n ILE 41 N 6.92 0.00 0.00 1.08 0.13 0.30 -3.51 119.36 124.27 2k2q n ILE 41 Ca 0.14 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.79 2k2q n ILE 41 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.29 2k2q n ILE 41 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2k2q n GLY 42 N 0.00 0.06 3.94 4.50 0.00 0.13 -4.79 105.19 109.03 2k2q n GLY 42 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2k2q n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k2q s GLY 43 N -0.10 1.73 -0.14 -0.02 0.00 -1.21 -4.52 107.32 103.05 2k2q s GLY 43 Ca 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 44.72 43.50 2k2q s GLY 43 CO 0.00 -0.62 -0.15 1.42 0.00 0.00 0.00 173.10 173.74 2k2q n HIS 44 N -3.21 0.00 -4.86 1.90 8.25 -1.26 -4.73 115.22 111.31 2k2q n HIS 44 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2k2q n HIS 44 Cb 0.60 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 31.18 2k2q n HIS 44 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2k2q n SER 45 N -3.26 -4.35 -3.16 0.41 7.64 -1.26 -4.69 113.62 104.95 2k2q n SER 45 Ca -0.27 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.64 2k2q n SER 45 Cb 0.74 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.93 2k2q n SER 45 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2k2q s LEU 46 N 0.00 -1.48 0.00 -3.43 1.98 -1.26 -4.98 118.68 109.51 2k2q s LEU 46 Ca 0.00 0.38 0.00 0.00 -2.89 0.00 0.00 54.13 51.62 2k2q s LEU 46 Cb 0.00 2.00 0.00 0.00 0.66 0.00 0.00 46.19 48.85 2k2q s LEU 46 CO 0.00 -0.29 0.00 0.29 -1.89 0.00 0.00 176.35 174.46 2k2q n LYS 47 N 5.42 -3.11 0.21 1.98 4.76 -1.26 -4.97 118.16 121.18 2k2q n LYS 47 Ca 0.03 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.56 2k2q n LYS 47 Cb 0.53 0.00 0.64 0.00 -1.84 0.00 0.00 35.03 34.36 2k2q n LYS 47 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k2q h ALA 48 N 0.00 2.06 -0.33 7.82 0.00 -2.01 -1.13 119.26 125.67 2k2q h ALA 48 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k2q h ALA 48 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k2q h ALA 48 CO 0.00 -0.09 0.04 1.98 0.00 0.00 0.00 179.25 181.18 2k2q h MET 49 N 0.02 0.49 -0.21 0.00 -1.53 -1.99 -1.18 114.93 110.53 2k2q h MET 49 Ca 0.04 -0.09 -0.20 0.00 -3.44 0.00 0.00 59.70 56.02 2k2q h MET 49 Cb 0.15 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.12 2k2q h MET 49 CO -0.00 0.48 -0.65 0.00 0.14 0.00 0.00 176.91 176.89 2k2q h ALA 50 N 1.58 0.46 -0.14 0.39 0.00 -1.49 -3.06 119.26 117.00 2k2q h ALA 50 Ca 0.11 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2k2q h ALA 50 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k2q h ALA 50 CO 0.00 0.69 0.06 0.28 0.00 0.00 0.00 179.25 180.28 2k2q h VAL 51 N 0.56 1.15 -0.66 0.00 2.07 -1.23 -0.32 116.25 117.82 2k2q h VAL 51 Ca -0.01 -0.45 0.11 0.00 0.82 0.00 0.00 66.70 67.17 2k2q h VAL 51 Cb 1.25 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 32.13 2k2q h VAL 51 CO 0.13 0.14 0.23 0.00 0.02 0.00 0.00 177.57 178.09 2k2q h ALA 52 N 0.90 0.86 -0.18 1.67 0.00 -1.26 0.52 119.26 121.78 2k2q h ALA 52 Ca 0.05 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2k2q h ALA 52 Cb 0.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k2q h ALA 52 CO -0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 179.25 178.71 2k2q h ALA 53 N 1.47 0.28 -0.15 0.00 0.00 -1.42 -1.71 119.26 117.73 2k2q h ALA 53 Ca 0.34 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k2q h ALA 53 Cb 0.47 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2k2q h ALA 53 CO -0.36 0.31 -0.10 1.96 0.00 0.00 0.00 179.25 181.06 2k2q h GLN 54 N 0.17 -0.10 -0.13 0.00 1.08 -0.31 -0.33 115.11 115.50 2k2q h GLN 54 Ca 0.01 0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 57.05 2k2q h GLN 54 Cb 0.91 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 2k2q h GLN 54 CO 0.07 -0.07 -0.63 0.28 -0.95 0.00 0.00 178.83 177.53 2k2q h VAL 55 N -0.10 1.35 -0.04 -0.54 2.07 -0.99 0.37 116.25 118.37 2k2q h VAL 55 Ca 0.09 -1.95 -0.12 0.00 0.82 0.00 0.00 66.70 65.53 2k2q h VAL 55 Cb 0.24 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2k2q h VAL 55 CO -0.21 0.60 -0.54 -0.74 0.02 0.00 0.00 177.57 176.70 2k2q h HIS 56 N 0.34 0.14 -0.40 1.57 2.76 -1.01 -2.37 115.15 116.18 2k2q h HIS 56 Ca -0.01 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2k2q h HIS 56 Cb 1.19 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2k2q h HIS 56 CO 0.04 0.63 0.00 -2.13 -1.30 0.00 0.00 177.93 175.17 2k2q n ARG 57 N -3.91 2.06 -3.51 5.26 3.00 -0.16 -4.92 116.66 114.48 2k2q n ARG 57 Ca -0.02 -1.49 -0.20 0.00 -0.00 0.00 0.00 57.85 56.14 2k2q n ARG 57 Cb 0.56 -1.38 0.06 0.00 0.00 0.00 0.00 32.46 31.70 2k2q n ARG 57 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2k2q n GLU 58 N 0.66 -4.31 -2.28 -0.14 2.13 -0.89 -4.33 120.64 111.47 2k2q n GLU 58 Ca 0.14 0.73 -0.02 0.00 0.66 0.00 0.00 57.16 58.66 2k2q n GLU 58 Cb 0.39 -5.40 -0.02 0.00 0.27 0.00 0.00 31.44 26.67 2k2q n GLU 58 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2k2q n TYR 59 N -3.97 -2.92 -0.12 4.31 4.02 0.13 -4.94 117.16 113.67 2k2q n TYR 59 Ca -0.22 1.53 -0.11 0.00 -0.01 0.00 0.00 57.90 59.09 2k2q n TYR 59 Cb 0.65 -3.19 0.02 0.00 -0.02 0.00 0.00 39.34 36.80 2k2q n TYR 59 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 2k2q h GLN 60 N 2.46 0.90 0.00 -0.72 4.20 -1.76 -3.47 115.11 116.73 2k2q h GLN 60 Ca -0.21 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.08 2k2q h GLN 60 Cb 0.48 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2k2q h GLN 60 CO 0.04 1.07 0.00 0.28 -0.67 0.00 0.00 178.83 179.54 2k2q n VAL 61 N -4.08 0.00 0.00 -0.54 0.31 -1.26 -4.29 118.33 108.47 2k2q n VAL 61 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2k2q n VAL 61 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2k2q n VAL 61 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k2q n GLU 62 N 0.00 0.00 -3.72 5.55 -0.58 -1.26 -4.99 120.64 115.64 2k2q n GLU 62 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 2k2q n GLU 62 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 2k2q n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k2q s LEU 63 N 0.00 3.92 -1.22 -4.62 1.43 -1.26 -4.99 118.68 111.94 2k2q s LEU 63 Ca 0.00 0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 52.92 2k2q s LEU 63 Cb 0.00 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 2k2q s LEU 63 CO 0.00 0.04 1.82 -2.84 0.23 0.00 0.00 176.35 175.60 2k2q s PRO 64 N 1.18 3.23 -0.11 1.29 0.02 -1.26 -4.95 135.00 134.39 2k2q s PRO 64 Ca 0.06 -1.51 -0.24 0.00 0.02 0.00 0.00 61.00 59.34 2k2q s PRO 64 Cb -0.14 -5.38 -0.03 0.00 0.02 0.00 0.00 34.50 28.97 2k2q s PRO 64 CO 0.05 -3.09 0.74 -1.17 -0.33 0.00 0.00 177.00 173.20 2k2q s LEU 65 N 7.61 4.25 -0.62 -5.54 2.96 -1.26 -4.25 118.68 121.83 2k2q s LEU 65 Ca 0.61 1.15 -0.12 0.00 -0.22 0.00 0.00 54.13 55.55 2k2q s LEU 65 Cb 0.01 -3.12 0.02 0.00 0.50 0.00 0.00 46.19 43.60 2k2q s LEU 65 CO 0.09 -0.22 0.64 0.29 -1.32 0.00 0.00 176.35 175.83 2k2q n LYS 66 N 4.38 -1.78 0.09 1.98 4.76 -1.26 -4.93 118.16 121.40 2k2q n LYS 66 Ca 0.01 1.49 0.00 0.00 -2.87 0.00 0.00 58.31 56.94 2k2q n LYS 66 Cb 0.50 -4.23 0.00 0.00 -1.84 0.00 0.00 35.03 29.47 2k2q n LYS 66 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2k2q n VAL 67 N -1.25 0.00 0.08 -0.18 3.14 -1.26 -5.06 118.33 113.80 2k2q n VAL 67 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2k2q n VAL 67 Cb 0.57 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 2k2q n VAL 67 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2k2q n LEU 68 N -2.89 -1.39 -0.43 6.55 7.94 -1.26 -4.95 117.00 120.57 2k2q n LEU 68 Ca 0.00 0.35 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 2k2q n LEU 68 Cb 0.00 1.54 0.00 0.00 0.53 0.00 0.00 43.42 45.49 2k2q n LEU 68 CO 0.00 -0.10 0.17 0.49 -1.11 0.00 0.00 177.39 176.84 2k2q n PHE 69 N -2.71 0.00 -1.47 1.96 3.72 -1.26 -2.11 117.46 115.59 2k2q n PHE 69 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2k2q n PHE 69 Cb 0.00 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 2k2q n PHE 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k2q n ALA 70 N 0.10 1.51 -3.09 4.37 0.00 -1.26 -0.54 120.51 121.60 2k2q n ALA 70 Ca 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 53.44 52.45 2k2q n ALA 70 Cb 0.13 -0.25 -0.16 0.00 0.00 0.00 0.00 19.45 19.18 2k2q n ALA 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2k2q s GLN 71 N -0.04 1.26 0.19 0.00 -1.52 -0.90 -4.73 119.66 113.92 2k2q s GLN 71 Ca 0.00 -0.39 0.10 0.00 -1.95 0.00 0.00 55.36 53.13 2k2q s GLN 71 Cb 0.00 -1.13 -0.03 0.00 -0.22 0.00 0.00 33.01 31.64 2k2q s GLN 71 CO 0.00 0.12 1.38 -1.00 -0.25 0.00 0.00 175.29 175.55 2k2q h PRO 72 N 6.47 0.00 -4.49 2.91 0.13 -1.97 -3.41 132.00 131.63 2k2q h PRO 72 Ca -0.33 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.07 2k2q h PRO 72 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 2k2q h PRO 72 CO 0.48 0.79 0.18 0.99 -0.23 0.00 0.00 178.00 180.21 2k2q s THR 73 N -2.92 5.01 0.13 1.56 2.01 -1.26 -4.88 115.64 115.29 2k2q s THR 73 Ca 0.02 -1.44 -0.06 0.00 0.31 0.00 0.00 61.69 60.51 2k2q s THR 73 Cb 0.10 -4.51 -0.17 0.00 0.01 0.00 0.00 72.50 67.92 2k2q s THR 73 CO 0.79 -1.13 1.31 0.40 -0.69 0.00 0.00 174.62 175.29 2k2q h ILE 74 N 5.68 1.36 0.00 1.82 2.04 -1.96 -3.08 117.51 123.37 2k2q h ILE 74 Ca -0.15 -2.30 -0.01 0.00 1.00 0.00 0.00 64.86 63.40 2k2q h ILE 74 Cb 1.07 2.30 -0.00 0.00 -0.74 0.00 0.00 36.82 39.45 2k2q h ILE 74 CO 1.02 0.70 -0.05 0.07 0.00 0.00 0.00 178.15 179.89 2k2q h LYS 75 N 0.30 0.00 0.00 2.37 5.09 -1.93 0.14 116.57 122.54 2k2q h LYS 75 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.64 2k2q h LYS 75 Cb 1.52 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.85 2k2q h LYS 75 CO 0.16 0.05 -0.14 0.00 -2.09 0.00 0.00 179.45 177.44 2k2q h ALA 76 N 1.95 0.93 0.00 0.07 0.00 -1.95 -3.16 119.26 117.10 2k2q h ALA 76 Ca -0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 2k2q h ALA 76 Cb 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2k2q h ALA 76 CO 0.01 0.17 -1.60 1.28 0.00 0.00 0.00 179.25 179.11 2k2q n LEU 77 N -3.16 0.71 -0.27 0.00 4.77 -0.09 -4.04 117.00 114.92 2k2q n LEU 77 Ca 0.03 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2k2q n LEU 77 Cb 0.53 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2k2q n LEU 77 CO 0.34 0.21 0.26 0.00 -1.33 0.00 0.00 177.39 176.87 2k2q n ALA 78 N -2.45 2.13 -0.62 -1.18 0.00 -0.44 -0.24 120.51 117.71 2k2q n ALA 78 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2k2q n ALA 78 Cb 0.89 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2k2q n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2q n GLN 79 N -0.15 0.19 0.05 0.00 10.64 -1.26 -4.71 117.38 122.14 2k2q n GLN 79 Ca 0.00 -0.45 0.00 0.00 -1.83 0.00 0.00 57.00 54.72 2k2q n GLN 79 Cb 0.10 -0.69 0.00 0.00 -0.86 0.00 0.00 30.24 28.79 2k2q n GLN 79 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2k2q n TYR 80 N -0.07 -1.00 -0.08 2.61 4.01 -0.79 -4.97 117.16 116.87 2k2q n TYR 80 Ca 0.00 0.18 -0.10 0.00 -0.16 0.00 0.00 57.90 57.81 2k2q n TYR 80 Cb 0.25 0.58 -0.06 0.00 -0.31 0.00 0.00 39.34 39.80 2k2q n TYR 80 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2k2q h VAL 81 N 0.00 0.51 -0.01 -0.72 2.07 -0.92 -3.52 116.25 113.67 2k2q h VAL 81 Ca 0.00 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.99 2k2q h VAL 81 Cb 0.00 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2k2q h VAL 81 CO 0.00 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.76