#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 0.08 0.50 -5.12 0.00 -1.26 -2.82 105.19 96.56 2k2q n GLY 2 Ca 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.52 0.00 -1.80 1.61 0.24 -1.26 -4.46 118.33 109.14 2k2q n VAL 3 Ca -0.05 -0.29 -0.30 0.00 -2.04 0.00 0.00 64.34 61.66 2k2q n VAL 3 Cb 0.55 1.26 0.04 0.00 -1.47 0.00 0.00 33.84 34.23 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 -2.35 3.81 -0.25 3.34 -4.23 -1.26 -4.91 115.64 109.80 2k2q s THR 4 Ca 0.18 0.59 -0.29 0.00 -1.18 0.00 0.00 61.69 60.99 2k2q s THR 4 Cb 0.17 -3.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 2k2q s THR 4 CO 0.53 -0.77 1.88 -1.61 -0.54 0.00 0.00 174.62 174.11 2k2q s GLU 5 N -5.25 3.45 0.02 3.99 8.01 -1.26 -4.65 118.70 123.02 2k2q s GLU 5 Ca 0.58 1.73 -0.30 0.00 0.01 0.00 0.00 54.97 56.98 2k2q s GLU 5 Cb -0.12 -4.20 -0.05 0.00 -4.31 0.00 0.00 34.13 25.44 2k2q s GLU 5 CO 0.53 -1.73 1.30 0.00 0.01 0.00 0.00 175.26 175.37 2k2q s ALA 6 N 6.70 3.51 0.13 5.21 0.00 -0.22 -4.90 121.76 132.19 2k2q s ALA 6 Ca 0.84 0.85 0.30 0.00 0.00 0.00 0.00 51.96 53.95 2k2q s ALA 6 Cb -0.27 -3.53 1.23 0.00 0.00 0.00 0.00 23.12 20.55 2k2q s ALA 6 CO 0.34 -0.70 1.94 1.96 0.00 0.00 0.00 175.76 179.30 2k2q h GLN 7 N 7.30 0.00 -2.14 0.00 1.08 -1.92 -3.10 115.11 116.33 2k2q h GLN 7 Ca -0.39 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.17 2k2q h GLN 7 Cb 1.19 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.42 2k2q h GLN 7 CO 0.87 0.08 1.00 0.98 -0.95 0.00 0.00 178.83 180.81 2k2q n TYR 8 N -3.22 2.26 0.78 2.96 9.36 -1.26 -4.50 117.16 123.54 2k2q n TYR 8 Ca 0.00 -2.26 0.13 0.00 3.32 0.00 0.00 57.90 59.09 2k2q n TYR 8 Cb 0.34 -1.39 0.40 0.00 -0.63 0.00 0.00 39.34 38.06 2k2q n TYR 8 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2k2q n VAL 9 N 0.55 0.29 -2.16 2.97 3.14 -1.17 -2.60 118.33 119.36 2k2q n VAL 9 Ca 0.52 -0.16 -0.43 0.00 -2.96 0.00 0.00 64.34 61.31 2k2q n VAL 9 Cb 0.38 -0.36 -0.02 0.00 -1.06 0.00 0.00 33.84 32.77 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 -3.07 3.21 0.73 1.55 0.00 -1.26 -4.83 121.76 118.09 2k2q s ALA 10 Ca 0.11 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.28 2k2q s ALA 10 Cb 0.15 -3.87 0.04 0.00 0.00 0.00 0.00 23.12 19.44 2k2q s ALA 10 CO 0.61 -2.05 1.12 -2.14 0.00 0.00 0.00 175.76 173.31 2k2q s PRO 11 N 4.76 2.36 -0.11 0.00 0.02 -1.26 -4.87 135.00 135.90 2k2q s PRO 11 Ca 0.70 1.41 -0.06 0.00 0.02 0.00 0.00 61.00 63.07 2k2q s PRO 11 Cb -0.23 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 2k2q s PRO 11 CO 0.29 -1.59 -0.14 2.41 -0.33 0.00 0.00 177.00 177.64 2k2q n THR 12 N -2.95 0.62 -3.01 0.99 -1.04 -1.26 -4.95 114.28 102.68 2k2q n THR 12 Ca 0.11 -0.15 -0.30 0.00 -2.04 0.00 0.00 64.05 61.67 2k2q n THR 12 Cb 0.52 -1.66 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 2k2q n THR 12 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2k2q s ASN 13 N -5.99 6.49 0.22 8.00 3.84 -1.26 -4.99 114.94 121.24 2k2q s ASN 13 Ca -0.15 0.99 -0.08 0.00 0.21 0.00 0.00 52.86 53.82 2k2q s ASN 13 Cb 0.06 -2.26 0.25 0.00 -0.55 0.00 0.00 41.25 38.75 2k2q s ASN 13 CO 0.19 -0.34 1.84 0.00 -2.79 0.00 0.00 177.10 176.01 2k2q h ALA 14 N 1.37 1.00 -0.18 1.71 0.00 -1.98 -1.82 119.26 119.35 2k2q h ALA 14 Ca -0.47 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 2k2q h ALA 14 Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2k2q h ALA 14 CO 0.64 0.19 -0.40 0.28 0.00 0.00 0.00 179.25 179.97 2k2q h VAL 15 N 0.85 1.30 -0.39 0.00 2.07 -1.96 -2.68 116.25 115.44 2k2q h VAL 15 Ca 0.32 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2k2q h VAL 15 Cb 0.11 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2k2q h VAL 15 CO -0.15 0.47 0.25 -0.33 0.02 0.00 0.00 177.57 177.83 2k2q h GLU 16 N 0.34 0.52 -0.43 1.57 4.39 -1.70 0.27 114.58 119.55 2k2q h GLU 16 Ca 0.03 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2k2q h GLU 16 Cb 0.86 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 2k2q h GLU 16 CO 0.07 0.36 -0.09 0.77 -1.16 0.00 0.00 179.01 178.96 2k2q h SER 17 N 0.53 0.74 1.16 1.42 0.02 -1.09 -2.78 113.55 113.56 2k2q h SER 17 Ca 0.14 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 2k2q h SER 17 Cb -0.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2k2q h SER 17 CO -0.03 0.86 -0.88 0.11 -1.14 0.00 0.00 176.83 175.75 2k2q h LYS 18 N 0.69 0.00 -0.33 3.45 1.79 -1.25 -3.30 116.57 117.61 2k2q h LYS 18 Ca 0.12 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2k2q h LYS 18 Cb 0.56 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2k2q h LYS 18 CO 0.03 0.46 0.22 1.25 -1.08 0.00 0.00 179.45 180.33 2k2q h LEU 19 N 0.00 0.34 -1.78 2.94 5.85 -0.22 0.36 115.31 122.80 2k2q h LEU 19 Ca -0.06 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2k2q h LEU 19 Cb 1.49 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 2k2q h LEU 19 CO 0.06 0.24 -0.10 0.00 -0.34 0.00 0.00 178.44 178.30 2k2q h ALA 20 N 1.80 1.14 0.00 1.25 0.00 -1.62 -0.91 119.26 120.92 2k2q h ALA 20 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k2q h ALA 20 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k2q h ALA 20 CO -0.03 0.13 -1.27 0.39 0.00 0.00 0.00 179.25 178.47 2k2q n GLU 21 N -3.41 0.59 0.02 0.00 -0.58 0.02 -0.46 120.64 116.82 2k2q n GLU 21 Ca -0.01 0.03 -0.22 0.00 -0.42 0.00 0.00 57.16 56.54 2k2q n GLU 21 Cb 0.27 -1.73 -0.14 0.00 -0.57 0.00 0.00 31.44 29.28 2k2q n GLU 21 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2k2q h ILE 22 N 0.00 0.92 0.00 -3.67 2.04 -0.53 -3.42 117.51 112.84 2k2q h ILE 22 Ca 0.00 -2.41 -0.03 0.00 1.00 0.00 0.00 64.86 63.42 2k2q h ILE 22 Cb 0.98 2.67 -0.00 0.00 -0.74 0.00 0.00 36.82 39.72 2k2q h ILE 22 CO 0.00 0.77 -1.09 0.79 0.00 0.00 0.00 178.15 178.62 2k2q n TRP 23 N -3.77 0.00 0.15 1.37 7.02 -0.42 -4.62 117.44 117.18 2k2q n TRP 23 Ca -0.27 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.14 2k2q n TRP 23 Cb 0.97 -0.06 -0.04 0.00 -2.42 0.00 0.00 31.31 29.76 2k2q n TRP 23 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 2k2q h GLU 24 N -0.04 -0.43 -1.01 -0.99 4.57 -1.60 0.35 114.58 115.43 2k2q h GLU 24 Ca -0.04 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2k2q h GLU 24 Cb 1.04 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2k2q h GLU 24 CO -0.02 -0.28 0.00 -2.13 -1.18 0.00 0.00 179.01 175.40 2k2q n ARG 25 N -3.47 0.79 0.00 1.92 0.63 0.39 0.12 116.66 117.04 2k2q n ARG 25 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2k2q n ARG 25 Cb 0.19 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 31.86 2k2q n ARG 25 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2k2q n VAL 26 N 0.37 0.01 -0.11 5.15 0.31 -0.99 -4.88 118.33 118.18 2k2q n VAL 26 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 2k2q n VAL 26 Cb 0.30 -0.78 -0.09 0.00 -0.91 0.00 0.00 33.84 32.37 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 -2.66 2.09 -0.05 7.52 7.94 0.12 -4.82 117.00 127.13 2k2q n LEU 27 Ca 0.00 0.15 -0.01 0.00 -1.11 0.00 0.00 56.01 55.04 2k2q n LEU 27 Cb 0.13 -0.70 -0.00 0.00 0.53 0.00 0.00 43.42 43.38 2k2q n LEU 27 CO 0.00 0.61 -0.08 1.23 -1.11 0.00 0.00 177.39 178.04 2k2q h GLY 28 N 0.02 0.00 -6.12 -3.96 0.00 -1.28 -3.49 103.07 88.24 2k2q h GLY 28 Ca -0.55 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.36 2k2q h GLY 28 CO -0.26 0.00 -0.84 -0.62 0.00 0.00 0.00 176.54 174.82 2k2q n VAL 29 N -4.39 -4.48 -0.03 4.60 0.31 0.31 -4.88 118.33 109.78 2k2q n VAL 29 Ca -0.02 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 2k2q n VAL 29 Cb 0.06 -3.75 0.00 0.00 -0.91 0.00 0.00 33.84 29.24 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 -3.04 0.03 -0.59 4.52 7.64 -1.26 -5.04 113.62 115.88 2k2q n SER 30 Ca -0.29 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.27 2k2q n SER 30 Cb 0.68 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.40 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 0.53 0.57 3.96 0.23 0.00 -1.26 -4.04 105.19 105.17 2k2q n GLY 31 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 2k2q n GLY 31 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k2q s ILE 32 N -2.40 2.17 0.00 -0.61 -4.36 -1.26 -1.05 121.20 113.69 2k2q s ILE 32 Ca 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 60.65 60.01 2k2q s ILE 32 Cb 0.00 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.92 2k2q s ILE 32 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 2k2q n GLY 33 N -3.04 2.64 2.76 6.27 0.00 -1.26 -4.75 105.19 107.80 2k2q n GLY 33 Ca 0.13 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 3.85 -0.96 -0.61 2.08 -1.07 -4.11 119.36 118.53 2k2q n ILE 34 Ca 0.00 -3.53 0.00 0.00 0.56 0.00 0.00 62.75 59.78 2k2q n ILE 34 Cb 0.00 -2.51 0.00 0.00 -0.75 0.00 0.00 39.64 36.38 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 5.09 0.07 -0.75 1.39 4.77 -1.26 -4.92 117.00 121.38 2k2q n LEU 35 Ca 0.49 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2k2q n LEU 35 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2k2q n LEU 35 CO 0.86 0.02 -0.20 -0.67 -1.33 0.00 0.00 177.39 176.07 2k2q n ASP 36 N -0.02 -4.90 -1.83 -1.43 2.03 -1.26 -5.13 116.55 104.02 2k2q n ASP 36 Ca 0.00 0.56 -0.02 0.00 0.52 0.00 0.00 54.79 55.85 2k2q n ASP 36 Cb 0.49 -1.53 0.01 0.00 -0.72 0.00 0.00 41.12 39.37 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 -0.33 -0.74 0.24 1.67 6.94 -1.26 -4.85 115.26 116.93 2k2q n ASN 37 Ca 0.00 -1.43 0.14 0.00 -0.02 0.00 0.00 54.58 53.27 2k2q n ASN 37 Cb 0.00 1.20 0.73 0.00 -2.36 0.00 0.00 39.78 39.36 2k2q n ASN 37 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 2k2q h PHE 38 N 1.38 0.00 0.00 -2.53 -0.00 -1.74 -1.57 116.94 112.48 2k2q h PHE 38 Ca -0.11 0.00 -0.28 0.00 -0.00 0.00 0.00 57.97 57.58 2k2q h PHE 38 Cb 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 36.37 2k2q h PHE 38 CO 0.00 0.00 -2.03 0.34 -0.00 0.00 0.00 178.31 176.62 2k2q n PHE 39 N -2.53 0.00 0.57 6.09 7.35 -1.26 -4.46 117.46 123.22 2k2q n PHE 39 Ca -0.02 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.74 2k2q n PHE 39 Cb 0.18 -0.69 0.33 0.00 0.35 0.00 0.00 39.48 39.65 2k2q n PHE 39 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 2k2q n GLN 40 N -3.15 0.09 0.14 -4.13 7.27 -1.01 -1.56 117.38 115.03 2k2q n GLN 40 Ca -0.33 0.21 0.13 0.00 0.07 0.00 0.00 57.00 57.08 2k2q n GLN 40 Cb 0.83 -1.50 0.39 0.00 2.41 0.00 0.00 30.24 32.37 2k2q n GLN 40 CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 2k2q h ILE 41 N 0.00 0.00 0.00 1.69 6.09 -1.51 -3.45 117.51 120.33 2k2q h ILE 41 Ca 0.00 -0.54 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 2k2q h ILE 41 Cb 0.20 1.50 0.00 0.00 0.47 0.00 0.00 36.82 38.98 2k2q h ILE 41 CO 0.00 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.69 2k2q n GLY 42 N 0.99 0.13 3.81 8.18 0.00 -0.77 -5.03 105.19 112.49 2k2q n GLY 42 Ca 0.04 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 2.24 0.11 -0.02 0.00 -0.60 -4.67 107.32 104.38 2k2q s GLY 43 Ca 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 44.72 45.06 2k2q s GLY 43 CO 0.00 0.73 1.28 0.45 0.00 0.00 0.00 173.10 175.56 2k2q h HIS 44 N 0.91 0.82 -2.22 1.90 3.86 -1.92 -3.46 115.15 115.04 2k2q h HIS 44 Ca -0.48 -0.43 0.25 0.00 -1.16 0.00 0.00 60.37 58.55 2k2q h HIS 44 Cb 1.21 -0.10 -0.09 0.00 1.06 0.00 0.00 27.41 29.49 2k2q h HIS 44 CO 0.59 1.25 -0.56 0.43 0.86 0.00 0.00 177.93 180.50 2k2q n SER 45 N -3.82 -5.75 -3.05 2.45 7.64 -1.26 -4.92 113.62 104.90 2k2q n SER 45 Ca -0.08 0.64 0.01 0.00 1.01 0.00 0.00 58.87 60.44 2k2q n SER 45 Cb 0.83 -3.07 -0.00 0.00 -1.01 0.00 0.00 64.21 60.96 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 -6.31 -1.18 0.00 -3.43 1.98 -1.26 -4.97 118.68 103.51 2k2q s LEU 46 Ca 0.00 -0.65 -0.00 0.00 -2.89 0.00 0.00 54.13 50.59 2k2q s LEU 46 Cb 0.00 1.51 0.00 0.00 0.66 0.00 0.00 46.19 48.36 2k2q s LEU 46 CO 0.00 -0.12 0.01 0.29 -1.89 0.00 0.00 176.35 174.64 2k2q n LYS 47 N 4.10 0.00 -0.01 1.98 5.02 -1.26 -4.96 118.16 123.03 2k2q n LYS 47 Ca 0.10 -0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.42 2k2q n LYS 47 Cb 0.59 0.01 0.40 0.00 -0.02 0.00 0.00 35.03 36.01 2k2q n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k2q h ALA 48 N 2.00 1.65 -0.02 7.82 0.00 -2.01 -1.32 119.26 127.39 2k2q h ALA 48 Ca -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2k2q h ALA 48 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2k2q h ALA 48 CO 0.00 0.31 -0.44 1.98 0.00 0.00 0.00 179.25 181.10 2k2q h MET 49 N 0.58 0.04 0.00 0.00 -1.53 -2.01 -2.55 114.93 109.45 2k2q h MET 49 Ca 0.15 -0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.36 2k2q h MET 49 Cb -0.02 -0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.03 2k2q h MET 49 CO -0.03 0.47 -0.16 0.00 0.14 0.00 0.00 176.91 177.33 2k2q h ALA 50 N 1.53 1.03 -0.17 0.39 0.00 -1.60 -2.63 119.26 117.82 2k2q h ALA 50 Ca -0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2k2q h ALA 50 Cb 0.78 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2k2q h ALA 50 CO 0.06 0.20 -0.14 0.28 0.00 0.00 0.00 179.25 179.64 2k2q h VAL 51 N 0.00 1.19 -0.01 0.00 2.07 -1.28 -0.52 116.25 117.71 2k2q h VAL 51 Ca -0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2k2q h VAL 51 Cb 0.67 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2k2q h VAL 51 CO 0.02 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.88 2k2q n ALA 52 N -2.49 2.64 -0.08 1.67 0.00 -0.99 -2.92 120.51 118.34 2k2q n ALA 52 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2k2q n ALA 52 Cb 0.29 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2k2q n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2q n ALA 53 N -0.79 2.08 -0.28 0.00 0.00 -0.34 -4.35 120.51 116.82 2k2q n ALA 53 Ca 0.19 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.59 2k2q n ALA 53 Cb 0.11 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.80 2k2q n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2k2q h GLN 54 N 0.00 1.00 -0.00 0.00 1.08 -1.36 0.86 115.11 116.68 2k2q h GLN 54 Ca 0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2k2q h GLN 54 Cb 0.00 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.21 2k2q h GLN 54 CO 0.00 0.66 -0.29 0.28 -0.95 0.00 0.00 178.83 178.53 2k2q n VAL 55 N -4.46 0.00 -0.05 -0.54 0.31 -1.15 -1.45 118.33 110.99 2k2q n VAL 55 Ca 0.12 -0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2k2q n VAL 55 Cb 0.15 -0.06 -0.15 0.00 -0.91 0.00 0.00 33.84 32.87 2k2q n VAL 55 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2k2q n HIS 56 N -1.50 0.00 0.87 3.52 8.25 -0.52 -4.18 115.22 121.67 2k2q n HIS 56 Ca 0.06 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.63 2k2q n HIS 56 Cb 0.34 -0.70 0.30 0.00 1.12 0.00 0.00 29.99 31.05 2k2q n HIS 56 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2k2q n ARG 57 N -2.46 2.03 -3.29 -0.41 3.00 0.18 -4.96 116.66 110.75 2k2q n ARG 57 Ca -0.18 -1.55 -0.14 0.00 -0.00 0.00 0.00 57.85 55.99 2k2q n ARG 57 Cb 0.83 -1.43 0.04 0.00 0.00 0.00 0.00 32.46 31.90 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 0.77 -1.74 -2.30 -0.14 2.13 -1.21 -4.46 120.64 113.69 2k2q n GLU 58 Ca 0.17 0.99 -0.02 0.00 0.66 0.00 0.00 57.16 58.96 2k2q n GLU 58 Cb 0.43 -5.34 -0.02 0.00 0.27 0.00 0.00 31.44 26.79 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 -2.92 -2.98 0.00 4.31 4.01 -0.53 -4.92 117.16 114.13 2k2q n TYR 59 Ca -0.06 1.55 -0.08 0.00 -0.16 0.00 0.00 57.90 59.14 2k2q n TYR 59 Cb 0.58 -3.23 0.08 0.00 -0.31 0.00 0.00 39.34 36.46 2k2q n TYR 59 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2k2q h GLN 60 N 2.50 0.55 0.00 -0.72 4.20 -1.78 -3.46 115.11 116.40 2k2q h GLN 60 Ca -0.21 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.18 2k2q h GLN 60 Cb 0.46 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2k2q h GLN 60 CO 0.04 0.92 0.00 0.28 -0.67 0.00 0.00 178.83 179.40 2k2q n VAL 61 N -3.99 0.00 0.00 -0.54 0.31 -1.26 -3.96 118.33 108.89 2k2q n VAL 61 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2k2q n VAL 61 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 -3.81 5.55 -0.58 -1.26 -5.03 120.64 115.51 2k2q n GLU 62 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 2k2q n GLU 62 Cb 0.00 -0.05 -0.06 0.00 -0.57 0.00 0.00 31.44 30.76 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 -3.08 4.38 -0.25 -4.62 1.43 -1.25 -4.96 118.68 110.33 2k2q s LEU 63 Ca 0.00 0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 2k2q s LEU 63 Cb 0.00 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 2k2q s LEU 63 CO 0.00 0.37 3.04 -0.81 0.23 0.00 0.00 176.35 179.18 2k2q n PRO 64 N 2.16 2.15 -2.73 1.29 -0.04 -1.26 -4.79 135.00 131.78 2k2q n PRO 64 Ca -0.19 -1.66 -0.34 0.00 -0.04 0.00 0.00 63.50 61.27 2k2q n PRO 64 Cb 0.54 -2.01 -0.06 0.00 -0.04 0.00 0.00 33.50 31.94 2k2q n PRO 64 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k2q s LEU 65 N -1.20 4.01 -0.95 1.53 1.02 -1.26 -4.01 118.68 117.83 2k2q s LEU 65 Ca 0.58 1.80 -0.10 0.00 0.02 0.00 0.00 54.13 56.43 2k2q s LEU 65 Cb 0.33 -4.42 0.00 0.00 0.02 0.00 0.00 46.19 42.12 2k2q s LEU 65 CO -0.11 -0.42 0.70 0.29 0.02 0.00 0.00 176.35 176.83 2k2q n LYS 66 N -0.45 -1.28 0.14 1.70 4.76 -1.26 -4.83 118.16 116.94 2k2q n LYS 66 Ca 0.06 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.27 2k2q n LYS 66 Cb 0.53 -3.76 0.00 0.00 -1.84 0.00 0.00 35.03 29.96 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 -3.17 0.00 0.10 -0.18 3.14 -1.26 -4.90 118.33 112.05 2k2q n VAL 67 Ca -0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 2k2q n VAL 67 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 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 -3.14 -1.62 -2.81 6.55 7.94 -1.26 -4.72 117.00 117.94 2k2q n LEU 68 Ca 0.00 0.37 -0.29 0.00 -1.11 0.00 0.00 56.01 54.99 2k2q n LEU 68 Cb 0.00 1.76 -0.08 0.00 0.53 0.00 0.00 43.42 45.63 2k2q n LEU 68 CO 0.00 -0.21 2.66 0.49 -1.11 0.00 0.00 177.39 179.22 2k2q n PHE 69 N -2.91 1.51 -2.00 1.96 3.72 -1.26 -3.30 117.46 115.17 2k2q n PHE 69 Ca 0.00 -2.46 -0.00 0.00 -0.05 0.00 0.00 57.45 54.94 2k2q n PHE 69 Cb 0.00 -2.11 -0.00 0.00 -0.94 0.00 0.00 39.48 36.43 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 3.03 2.03 -3.62 4.37 0.00 -1.26 -4.55 120.51 120.51 2k2q n ALA 70 Ca 0.64 -0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.97 2k2q n ALA 70 Cb 0.50 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 0.56 0.57 0.00 -1.52 -1.21 -4.78 119.66 113.28 2k2q s GLN 71 Ca 0.00 1.08 0.34 0.00 -1.95 0.00 0.00 55.36 54.83 2k2q s GLN 71 Cb 0.00 0.29 1.70 0.00 -0.22 0.00 0.00 33.01 34.78 2k2q s GLN 71 CO -0.00 -0.14 2.13 -1.00 -0.25 0.00 0.00 175.29 176.03 2k2q h PRO 72 N 7.00 0.00 -2.85 2.91 0.13 -1.99 -3.26 132.00 133.93 2k2q h PRO 72 Ca -0.26 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.17 2k2q h PRO 72 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2k2q h PRO 72 CO 0.15 0.05 3.24 2.41 -0.23 0.00 0.00 178.00 183.63 2k2q n THR 73 N -3.34 4.71 0.18 1.56 -1.04 -1.26 -4.66 114.28 110.42 2k2q n THR 73 Ca -0.01 -3.33 0.10 0.00 -2.04 0.00 0.00 64.05 58.77 2k2q n THR 73 Cb 0.21 -2.39 0.63 0.00 -1.82 0.00 0.00 70.33 66.96 2k2q n THR 73 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2k2q h ILE 74 N 2.85 0.95 0.00 12.58 2.04 -1.90 -1.04 117.51 132.98 2k2q h ILE 74 Ca 0.80 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 66.62 2k2q h ILE 74 Cb 0.30 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2k2q h ILE 74 CO 1.66 0.01 -0.09 0.07 0.00 0.00 0.00 178.15 179.80 2k2q h LYS 75 N 0.05 0.00 0.04 2.37 5.09 -1.93 0.16 116.57 122.34 2k2q h LYS 75 Ca 0.07 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.59 2k2q h LYS 75 Cb 0.23 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.58 2k2q h LYS 75 CO -0.01 0.09 -0.91 0.00 -2.09 0.00 0.00 179.45 176.54 2k2q h ALA 76 N 1.91 0.06 -0.07 0.07 0.00 -1.58 -3.09 119.26 116.55 2k2q h ALA 76 Ca -0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.12 2k2q h ALA 76 Cb 0.17 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k2q h ALA 76 CO 0.01 0.54 -0.51 -0.07 0.00 0.00 0.00 179.25 179.22 2k2q h LEU 77 N 0.13 0.21 -0.02 0.00 3.38 -1.34 -2.63 115.31 115.03 2k2q h LEU 77 Ca -0.12 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2k2q h LEU 77 Cb 1.60 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2k2q h LEU 77 CO 0.18 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.39 2k2q n ALA 78 N -2.46 1.90 0.03 1.53 0.00 0.51 -0.52 120.51 121.48 2k2q n ALA 78 Ca -0.02 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.38 2k2q n ALA 78 Cb 0.54 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.54 1.75 0.05 0.00 10.64 -1.01 -4.58 117.38 122.69 2k2q n GLN 79 Ca 0.05 -1.39 0.00 0.00 -1.83 0.00 0.00 57.00 53.82 2k2q n GLN 79 Cb 0.23 -1.11 0.00 0.00 -0.86 0.00 0.00 30.24 28.50 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 -0.88 -0.08 2.61 4.01 -1.07 -4.98 117.16 116.84 2k2q n TYR 80 Ca 0.04 0.16 -0.09 0.00 -0.16 0.00 0.00 57.90 57.85 2k2q n TYR 80 Cb 0.25 0.42 -0.05 0.00 -0.31 0.00 0.00 39.34 39.66 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 0.41 0.00 -0.72 2.07 -1.11 -3.51 116.25 113.40 2k2q h VAL 81 Ca 0.00 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.08 2k2q h VAL 81 Cb 0.13 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2k2q h VAL 81 CO 0.00 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.73