#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 -0.21 1.55 -5.12 0.00 -1.26 -4.83 105.19 95.32 2k2q n GLY 2 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.93 1.58 -1.45 1.61 0.24 -1.26 -4.96 118.33 111.17 2k2q n VAL 3 Ca -0.14 -1.13 -0.30 0.00 -2.04 0.00 0.00 64.34 60.73 2k2q n VAL 3 Cb 0.60 0.24 0.11 0.00 -1.47 0.00 0.00 33.84 33.32 2k2q n VAL 3 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2k2q s THR 4 N -1.58 2.82 -0.35 3.34 2.01 -1.26 -4.84 115.64 115.77 2k2q s THR 4 Ca 0.52 0.27 -0.27 0.00 0.31 0.00 0.00 61.69 62.51 2k2q s THR 4 Cb 0.31 -2.94 -0.06 0.00 0.01 0.00 0.00 72.50 69.82 2k2q s THR 4 CO 0.28 -0.35 2.32 -0.62 -0.69 0.00 0.00 174.62 175.57 2k2q n GLU 5 N -3.60 1.50 -2.34 4.92 4.71 -1.26 -4.64 120.64 119.93 2k2q n GLU 5 Ca 0.07 0.26 -0.40 0.00 -0.01 0.00 0.00 57.16 57.08 2k2q n GLU 5 Cb 0.56 -3.35 -0.03 0.00 -1.01 0.00 0.00 31.44 27.61 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 10.33 3.35 -0.48 0.62 0.00 -0.15 -4.91 121.76 130.52 2k2q s ALA 6 Ca 1.00 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.99 2k2q s ALA 6 Cb -0.25 -3.38 0.27 0.00 0.00 0.00 0.00 23.12 19.76 2k2q s ALA 6 CO 0.31 -0.37 1.11 1.04 0.00 0.00 0.00 175.76 177.84 2k2q n GLN 7 N 0.76 1.96 -3.02 0.00 1.13 -1.26 -4.15 117.38 112.80 2k2q n GLN 7 Ca 0.01 -1.09 -0.17 0.00 -1.94 0.00 0.00 57.00 53.81 2k2q n GLN 7 Cb 0.45 -1.61 -0.01 0.00 0.11 0.00 0.00 30.24 29.17 2k2q n GLN 7 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2k2q n TYR 8 N 0.09 -1.30 0.10 1.08 9.36 -1.26 -4.93 117.16 120.30 2k2q n TYR 8 Ca 0.15 -2.99 0.11 0.00 3.32 0.00 0.00 57.90 58.49 2k2q n TYR 8 Cb 0.73 0.37 0.00 0.00 -0.63 0.00 0.00 39.34 39.82 2k2q n TYR 8 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 2k2q h VAL 9 N 2.14 0.01 -3.36 2.97 3.04 -1.84 -3.02 116.25 116.20 2k2q h VAL 9 Ca 0.00 -1.03 -0.56 0.00 -1.01 0.00 0.00 66.70 64.10 2k2q h VAL 9 Cb 0.97 1.52 -0.05 0.00 -2.01 0.00 0.00 31.29 31.72 2k2q h VAL 9 CO 0.39 0.01 0.23 0.00 -1.01 0.00 0.00 177.57 177.19 2k2q s ALA 10 N -3.35 3.36 1.00 3.17 0.00 -1.26 -4.74 121.76 119.94 2k2q s ALA 10 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2k2q s ALA 10 Cb 0.09 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2k2q s ALA 10 CO 0.79 -0.30 0.00 -0.35 0.00 0.00 0.00 175.76 175.89 2k2q n PRO 11 N 4.27 2.49 -0.07 0.00 -0.04 -1.26 -4.86 135.00 135.54 2k2q n PRO 11 Ca 0.02 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 2k2q n PRO 11 Cb 0.50 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.88 2k2q n PRO 11 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k2q n THR 12 N -0.03 0.85 -4.34 0.52 -2.24 -1.26 -5.03 114.28 102.74 2k2q n THR 12 Ca 0.00 -0.45 -0.21 0.00 -2.27 0.00 0.00 64.05 61.12 2k2q n THR 12 Cb 0.00 -0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 67.31 2k2q n THR 12 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2k2q s ASN 13 N -4.84 2.72 0.35 3.42 3.84 -1.26 -5.05 114.94 114.12 2k2q s ASN 13 Ca -0.11 -0.90 0.03 0.00 0.21 0.00 0.00 52.86 52.08 2k2q s ASN 13 Cb 0.04 -0.16 0.64 0.00 -0.55 0.00 0.00 41.25 41.22 2k2q s ASN 13 CO 0.44 -0.05 1.99 0.00 -2.79 0.00 0.00 177.10 176.68 2k2q h ALA 14 N 3.06 1.58 -0.30 1.71 0.00 -2.01 -2.20 119.26 121.09 2k2q h ALA 14 Ca -0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2k2q h ALA 14 Cb 1.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2k2q h ALA 14 CO 0.54 0.36 0.01 0.28 0.00 0.00 0.00 179.25 180.43 2k2q h VAL 15 N 0.87 1.18 0.00 0.00 2.07 -2.00 -1.61 116.25 116.75 2k2q h VAL 15 Ca 0.27 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2k2q h VAL 15 Cb 0.02 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2k2q h VAL 15 CO -0.07 0.24 0.00 -0.08 0.02 0.00 0.00 177.57 177.67 2k2q h GLU 16 N 0.44 0.00 0.00 1.57 4.22 -1.78 -2.69 114.58 116.34 2k2q h GLU 16 Ca 0.10 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.48 2k2q h GLU 16 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2k2q h GLU 16 CO 0.01 0.00 -0.27 0.77 -2.18 0.00 0.00 179.01 177.34 2k2q h SER 17 N 0.00 0.00 1.25 1.04 0.02 -1.26 -2.12 113.55 112.49 2k2q h SER 17 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k2q h SER 17 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2k2q h SER 17 CO 0.00 0.27 0.00 0.11 -1.14 0.00 0.00 176.83 176.07 2k2q h LYS 18 N 0.00 0.00 -0.01 3.45 1.57 -1.57 -2.82 116.57 117.19 2k2q h LYS 18 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2k2q h LYS 18 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2k2q h LYS 18 CO 0.04 0.00 -0.36 1.25 -0.57 0.00 0.00 179.45 179.80 2k2q h LEU 19 N 0.00 0.02 -0.73 2.94 5.85 -1.52 -2.50 115.31 119.36 2k2q h LEU 19 Ca 0.00 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2k2q h LEU 19 Cb 0.63 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2k2q h LEU 19 CO 0.00 0.38 0.07 0.00 -0.34 0.00 0.00 178.44 178.55 2k2q h ALA 20 N 1.62 0.94 -0.40 1.25 0.00 -1.61 -0.12 119.26 120.95 2k2q h ALA 20 Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2k2q h ALA 20 Cb 0.65 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k2q h ALA 20 CO 0.05 0.65 0.09 1.49 0.00 0.00 0.00 179.25 181.53 2k2q h GLU 21 N 0.97 0.64 -0.10 0.00 4.81 -1.58 0.73 114.58 120.04 2k2q h GLU 21 Ca 0.19 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2k2q h GLU 21 Cb 0.46 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2k2q h GLU 21 CO 0.02 0.66 -0.19 0.82 -0.73 0.00 0.00 179.01 179.59 2k2q h ILE 22 N 0.50 1.39 0.00 2.32 2.04 -1.30 -3.38 117.51 119.07 2k2q h ILE 22 Ca 0.12 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.53 2k2q h ILE 22 Cb 0.32 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2k2q h ILE 22 CO 0.00 0.42 -0.18 0.79 0.00 0.00 0.00 178.15 179.18 2k2q n TRP 23 N -4.54 0.00 0.01 1.37 7.02 -0.07 -4.55 117.44 116.68 2k2q n TRP 23 Ca -0.07 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.29 2k2q n TRP 23 Cb 0.40 -0.09 -0.05 0.00 -2.42 0.00 0.00 31.31 29.15 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 -0.18 -0.43 -0.38 -0.99 4.22 -1.54 0.28 114.58 115.56 2k2q h GLU 24 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2k2q h GLU 24 Cb 0.18 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k2q h GLU 24 CO 0.00 -0.29 0.00 -2.13 -2.18 0.00 0.00 179.01 174.41 2k2q n ARG 25 N -5.42 0.57 0.05 1.92 3.00 0.25 0.11 116.66 117.14 2k2q n ARG 25 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 2k2q n ARG 25 Cb 0.34 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.61 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 -0.03 0.14 -0.05 5.15 0.31 -0.44 -4.83 118.33 118.58 2k2q n VAL 26 Ca 0.00 0.05 -0.17 0.00 -0.01 0.00 0.00 64.34 64.21 2k2q n VAL 26 Cb 0.09 -0.78 -0.14 0.00 -0.91 0.00 0.00 33.84 32.11 2k2q n VAL 26 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2k2q n LEU 27 N -2.99 2.11 0.00 7.52 4.32 0.84 -4.76 117.00 124.04 2k2q n LEU 27 Ca 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 2k2q n LEU 27 Cb 0.08 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.24 2k2q n LEU 27 CO 0.00 0.75 0.00 0.61 -1.22 0.00 0.00 177.39 177.53 2k2q n GLY 28 N 1.96 0.29 3.80 -0.72 0.00 -0.50 -4.95 105.19 105.08 2k2q n GLY 28 Ca -0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.47 -2.11 0.00 1.61 0.31 0.29 -4.84 118.33 112.12 2k2q n VAL 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k2q n VAL 29 Cb 0.00 -3.00 0.00 0.00 -0.91 0.00 0.00 33.84 29.93 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 -2.82 4.88 0.00 4.52 7.64 -1.26 -5.04 113.62 121.53 2k2q n SER 30 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2k2q n SER 30 Cb 0.53 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 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 2.80 1.07 3.33 0.23 0.00 -1.26 -4.25 105.19 107.11 2k2q n GLY 31 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.05 0.00 0.00 -0.61 -5.35 -1.26 -0.97 119.36 111.11 2k2q n ILE 32 Ca 0.00 -1.74 0.00 0.00 -0.27 0.00 0.00 62.75 60.74 2k2q n ILE 32 Cb 0.00 -0.42 0.00 0.00 -1.74 0.00 0.00 39.64 37.48 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 -0.96 0.51 2.50 3.28 0.00 -1.26 -4.68 105.19 104.59 2k2q n GLY 33 Ca 0.09 0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 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 4.04 -2.29 -0.61 2.08 -1.14 -4.03 119.36 117.41 2k2q n ILE 34 Ca 0.00 -2.92 0.02 0.00 0.56 0.00 0.00 62.75 60.41 2k2q n ILE 34 Cb 0.00 -2.58 0.01 0.00 -0.75 0.00 0.00 39.64 36.32 2k2q n ILE 34 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2k2q n LEU 35 N 4.46 0.50 -1.33 1.39 0.00 -1.26 -4.96 117.00 115.80 2k2q n LEU 35 Ca 0.66 -1.67 0.00 0.00 0.00 0.00 0.00 56.01 55.00 2k2q n LEU 35 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.72 2k2q n LEU 35 CO 0.86 0.53 -0.28 -0.67 0.00 0.00 0.00 177.39 177.84 2k2q n ASP 36 N 0.29 -6.15 -2.21 1.96 2.03 -1.26 -5.12 116.55 106.10 2k2q n ASP 36 Ca 0.01 0.80 -0.03 0.00 0.52 0.00 0.00 54.79 56.10 2k2q n ASP 36 Cb 0.96 -3.15 0.01 0.00 -0.72 0.00 0.00 41.12 38.22 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 0.83 -1.06 -0.11 1.67 2.04 -1.18 -4.98 115.26 112.47 2k2q n ASN 37 Ca 0.00 -1.62 0.16 0.00 -0.44 0.00 0.00 54.58 52.68 2k2q n ASN 37 Cb 0.00 1.74 0.55 0.00 -2.53 0.00 0.00 39.78 39.54 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 1.55 0.36 0.02 -2.53 -5.15 -1.95 -3.11 116.94 106.13 2k2q h PHE 38 Ca -0.16 0.01 -0.00 0.00 -0.20 0.00 0.00 57.97 57.62 2k2q h PHE 38 Cb 0.68 -0.11 0.00 0.00 0.22 0.00 0.00 35.95 36.73 2k2q h PHE 38 CO 0.00 0.14 -0.01 0.35 -2.00 0.00 0.00 178.31 176.79 2k2q h PHE 39 N 0.31 -0.03 -0.98 6.09 3.57 -1.93 -3.28 116.94 120.70 2k2q h PHE 39 Ca 0.32 -0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.44 2k2q h PHE 39 Cb 0.82 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 2k2q h PHE 39 CO -0.00 -0.02 0.95 -1.14 -2.23 0.00 0.00 178.31 175.87 2k2q s GLN 40 N -1.40 2.76 0.00 1.11 0.74 -1.17 -2.68 119.66 119.02 2k2q s GLN 40 Ca -0.00 -0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.08 2k2q s GLN 40 Cb 0.00 -5.01 0.00 0.00 1.10 0.00 0.00 33.01 29.10 2k2q s GLN 40 CO 0.01 -3.06 0.00 1.51 -0.55 0.00 0.00 175.29 173.20 2k2q n ILE 41 N 7.58 0.00 0.00 -2.34 0.13 -0.10 -3.11 119.36 121.52 2k2q n ILE 41 Ca 0.35 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.00 2k2q n ILE 41 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.28 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 0.84 3.48 4.50 0.00 -1.02 -4.52 105.19 108.48 2k2q n GLY 42 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.88 1.80 0.55 -0.02 0.00 -1.11 -4.79 107.32 102.86 2k2q s GLY 43 Ca 0.00 -1.08 0.31 0.00 0.00 0.00 0.00 44.72 43.95 2k2q s GLY 43 CO 0.00 0.49 2.09 1.12 0.00 0.00 0.00 173.10 176.80 2k2q h HIS 44 N 8.07 0.00 0.00 1.90 2.07 -1.88 -3.44 115.15 121.86 2k2q h HIS 44 Ca -0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.14 2k2q h HIS 44 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 2k2q h HIS 44 CO 0.67 0.08 0.00 0.43 -3.07 0.00 0.00 177.93 176.04 2k2q n SER 45 N -3.42 0.00 -3.17 3.10 7.64 -1.26 -4.31 113.62 112.19 2k2q n SER 45 Ca -0.01 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.88 2k2q n SER 45 Cb 0.24 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.03 -3.43 2.96 -1.26 -5.15 118.68 110.35 2k2q s LEU 46 Ca 0.00 -0.51 -0.27 0.00 -0.22 0.00 0.00 54.13 53.13 2k2q s LEU 46 Cb 0.00 1.89 0.08 0.00 0.50 0.00 0.00 46.19 48.66 2k2q s LEU 46 CO 0.00 -0.19 0.71 -0.75 -1.32 0.00 0.00 176.35 174.80 2k2q s LYS 47 N 2.11 1.07 0.55 1.98 2.47 -1.26 -4.98 119.74 121.68 2k2q s LYS 47 Ca 0.15 -0.13 0.33 0.00 -1.56 0.00 0.00 55.97 54.76 2k2q s LYS 47 Cb -0.05 0.50 1.38 0.00 -1.46 0.00 0.00 37.83 38.19 2k2q s LYS 47 CO -0.12 -0.41 1.99 0.00 0.16 0.00 0.00 175.35 176.96 2k2q h ALA 48 N 2.40 1.01 0.00 3.13 0.00 -1.97 -2.74 119.26 121.09 2k2q h ALA 48 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2k2q h ALA 48 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k2q h ALA 48 CO 0.37 0.02 0.00 1.98 0.00 0.00 0.00 179.25 181.62 2k2q h MET 49 N 0.00 0.00 0.00 0.00 -1.53 -1.98 -2.39 114.93 109.03 2k2q h MET 49 Ca -0.00 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 2k2q h MET 49 Cb 0.51 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.55 2k2q h MET 49 CO 0.00 0.00 -0.19 0.00 0.14 0.00 0.00 176.91 176.86 2k2q h ALA 50 N 2.05 1.46 -0.63 0.39 0.00 -1.82 -2.63 119.26 118.09 2k2q h ALA 50 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2k2q h ALA 50 Cb 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k2q h ALA 50 CO 0.00 0.24 0.11 0.28 0.00 0.00 0.00 179.25 179.88 2k2q h VAL 51 N 0.00 1.26 -0.56 0.00 2.07 -1.65 -2.75 116.25 114.62 2k2q h VAL 51 Ca -0.00 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.55 2k2q h VAL 51 Cb 0.39 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2k2q h VAL 51 CO 0.02 0.37 0.37 0.00 0.02 0.00 0.00 177.57 178.36 2k2q h ALA 52 N 1.03 1.69 -0.25 1.67 0.00 -1.63 -1.10 119.26 120.67 2k2q h ALA 52 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2k2q h ALA 52 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k2q h ALA 52 CO 0.01 0.25 0.03 0.00 0.00 0.00 0.00 179.25 179.55 2k2q h ALA 53 N 1.67 0.33 -0.21 0.00 0.00 -1.53 -0.42 119.26 119.11 2k2q h ALA 53 Ca 0.22 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2k2q h ALA 53 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2k2q h ALA 53 CO -0.06 0.02 -0.30 1.96 0.00 0.00 0.00 179.25 180.88 2k2q h GLN 54 N 0.22 0.42 0.02 0.00 1.08 -1.28 -1.82 115.11 113.75 2k2q h GLN 54 Ca 0.08 -0.17 -0.22 0.00 -1.45 0.00 0.00 58.65 56.89 2k2q h GLN 54 Cb 0.34 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2k2q h GLN 54 CO 0.01 0.68 -0.96 0.28 -0.95 0.00 0.00 178.83 177.88 2k2q h VAL 55 N 0.36 1.49 -0.06 -0.54 2.07 -1.09 0.14 116.25 118.62 2k2q h VAL 55 Ca 0.05 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 64.85 2k2q h VAL 55 Cb 0.71 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2k2q h VAL 55 CO 0.05 0.79 0.00 1.41 0.02 0.00 0.00 177.57 179.85 2k2q n HIS 56 N -3.63 0.05 -0.21 1.57 8.25 -0.18 -3.87 115.22 117.20 2k2q n HIS 56 Ca -0.05 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2k2q n HIS 56 Cb 0.86 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.97 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 0.39 2.38 -3.54 -0.41 3.00 -0.70 -5.01 116.66 112.77 2k2q n ARG 57 Ca 0.18 -1.31 -0.19 0.00 -0.00 0.00 0.00 57.85 56.53 2k2q n ARG 57 Cb 0.39 -0.90 0.07 0.00 0.00 0.00 0.00 32.46 32.02 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 -0.41 -6.14 -2.33 -0.14 2.13 -1.04 -4.38 120.64 108.34 2k2q n GLU 58 Ca 0.00 0.77 -0.04 0.00 0.66 0.00 0.00 57.16 58.55 2k2q n GLU 58 Cb 0.30 -5.64 -0.03 0.00 0.27 0.00 0.00 31.44 26.34 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 -4.24 -3.81 0.12 4.31 4.01 0.45 -4.91 117.16 113.08 2k2q n TYR 59 Ca -0.27 2.23 -0.02 0.00 -0.16 0.00 0.00 57.90 59.69 2k2q n TYR 59 Cb 0.66 -3.53 0.09 0.00 -0.31 0.00 0.00 39.34 36.26 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 3.43 0.00 0.00 -0.72 4.20 -1.79 -3.47 115.11 116.76 2k2q h GLN 60 Ca -0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2k2q h GLN 60 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2k2q h GLN 60 CO 0.01 0.70 0.00 0.28 -0.67 0.00 0.00 178.83 179.15 2k2q n VAL 61 N -3.60 0.00 0.00 -0.54 0.31 -1.26 -3.80 118.33 109.44 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 0.71 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 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 -3.37 5.55 -0.58 -1.26 -5.01 120.64 115.97 2k2q n GLU 62 Ca 0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 2k2q n GLU 62 Cb 0.00 -0.11 -0.09 0.00 -0.57 0.00 0.00 31.44 30.67 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 -4.15 4.08 -1.32 -4.62 1.43 -1.25 -5.00 118.68 107.85 2k2q s LEU 63 Ca 0.00 0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 53.23 2k2q s LEU 63 Cb 0.00 -2.45 0.11 0.00 0.03 0.00 0.00 46.19 43.88 2k2q s LEU 63 CO 0.00 -0.22 1.86 -0.81 0.23 0.00 0.00 176.35 177.42 2k2q n PRO 64 N 5.37 3.25 -2.62 1.29 -0.04 -1.26 -4.85 135.00 136.14 2k2q n PRO 64 Ca -0.08 -3.26 -0.42 0.00 -0.04 0.00 0.00 63.50 59.70 2k2q n PRO 64 Cb 0.50 -3.18 -0.03 0.00 -0.04 0.00 0.00 33.50 30.75 2k2q n PRO 64 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k2q s LEU 65 N 1.87 4.33 -0.49 1.53 2.96 -1.26 -3.65 118.68 123.96 2k2q s LEU 65 Ca 0.46 1.72 -0.21 0.00 -0.22 0.00 0.00 54.13 55.87 2k2q s LEU 65 Cb 0.07 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.22 2k2q s LEU 65 CO -0.01 -0.38 0.63 1.17 -1.32 0.00 0.00 176.35 176.44 2k2q n LYS 66 N 4.33 -2.08 0.00 1.98 4.81 -1.26 -4.93 118.16 121.01 2k2q n LYS 66 Ca 0.08 1.75 0.00 0.00 -0.87 0.00 0.00 58.31 59.27 2k2q n LYS 66 Cb 0.49 -4.29 0.00 0.00 0.02 0.00 0.00 35.03 31.25 2k2q n LYS 66 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2k2q n VAL 67 N -0.55 0.00 0.00 3.15 3.14 -1.26 -5.08 118.33 117.73 2k2q n VAL 67 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2k2q n VAL 67 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 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 -2.28 0.00 -0.11 6.55 7.94 -1.26 -4.96 117.00 122.88 2k2q n LEU 68 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 2k2q n LEU 68 Cb 0.00 0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.09 2k2q n LEU 68 CO 0.00 -0.13 0.71 -0.26 -1.11 0.00 0.00 177.39 176.60 2k2q h PHE 69 N 0.00 -0.56 -1.12 1.96 0.04 -1.86 -1.66 116.94 113.74 2k2q h PHE 69 Ca 0.00 0.05 -0.58 0.00 2.80 0.00 0.00 57.97 60.24 2k2q h PHE 69 Cb 0.00 0.30 -0.23 0.00 2.20 0.00 0.00 35.95 38.23 2k2q h PHE 69 CO 0.00 -0.30 0.71 0.00 -0.60 0.00 0.00 178.31 178.13 2k2q n ALA 70 N -2.88 6.12 -3.57 2.45 0.00 -1.24 -0.92 120.51 120.47 2k2q n ALA 70 Ca 0.02 -3.11 -0.15 0.00 0.00 0.00 0.00 53.44 50.20 2k2q n ALA 70 Cb 0.29 -1.81 -0.16 0.00 0.00 0.00 0.00 19.45 17.78 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 -2.98 0.04 0.01 0.00 -1.52 -0.63 -4.35 119.66 110.24 2k2q s GLN 71 Ca 0.53 0.12 0.27 0.00 -1.95 0.00 0.00 55.36 54.34 2k2q s GLN 71 Cb 0.40 -0.25 0.95 0.00 -0.22 0.00 0.00 33.01 33.90 2k2q s GLN 71 CO -0.15 -0.12 1.74 -0.35 -0.25 0.00 0.00 175.29 176.15 2k2q n PRO 72 N 3.94 0.02 -4.76 2.91 -0.04 -1.26 -4.76 135.00 131.05 2k2q n PRO 72 Ca -0.24 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 62.93 2k2q n PRO 72 Cb 0.52 -1.52 -0.17 0.00 -0.04 0.00 0.00 33.50 32.29 2k2q n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2k2q s THR 73 N -3.01 1.72 -0.22 0.52 2.01 -1.26 -5.01 115.64 110.39 2k2q s THR 73 Ca 0.13 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.34 2k2q s THR 73 Cb 0.18 -1.53 -0.14 0.00 0.01 0.00 0.00 72.50 71.02 2k2q s THR 73 CO 0.59 0.48 -0.20 -0.38 -0.69 0.00 0.00 174.62 174.43 2k2q n ILE 74 N 3.90 1.24 0.29 1.82 -0.00 -1.26 -4.43 119.36 120.92 2k2q n ILE 74 Ca -0.20 -0.47 0.15 0.00 -0.00 0.00 0.00 62.75 62.23 2k2q n ILE 74 Cb 0.52 -1.29 0.88 0.00 -0.00 0.00 0.00 39.64 39.75 2k2q n ILE 74 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.55 176.62 2k2q h LYS 75 N -0.03 0.00 0.00 0.38 5.09 -1.94 0.24 116.57 120.31 2k2q h LYS 75 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.25 2k2q h LYS 75 Cb 1.74 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.07 2k2q h LYS 75 CO -0.09 0.02 0.00 0.00 -2.09 0.00 0.00 179.45 177.30 2k2q n ALA 76 N -2.32 1.75 0.00 0.07 0.00 -1.26 -2.96 120.51 115.80 2k2q n ALA 76 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2k2q n ALA 76 Cb 0.11 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2k2q n ALA 76 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k2q n LEU 77 N -2.16 1.16 0.00 0.00 4.77 -0.31 -4.66 117.00 115.80 2k2q n LEU 77 Ca 0.03 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.09 2k2q n LEU 77 Cb 0.25 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.75 2k2q n LEU 77 CO 0.21 0.19 0.75 0.00 -1.33 0.00 0.00 177.39 177.21 2k2q n ALA 78 N -2.13 1.89 1.51 -1.18 0.00 0.70 -2.09 120.51 119.21 2k2q n ALA 78 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.51 2k2q n ALA 78 Cb 0.47 -1.27 0.64 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.32 0.90 0.00 0.00 10.64 -1.15 -4.68 117.38 121.76 2k2q n GLN 79 Ca 0.07 -0.32 0.00 0.00 -1.83 0.00 0.00 57.00 54.92 2k2q n GLN 79 Cb 0.14 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.03 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 -0.77 0.00 -3.82 2.61 4.01 -0.89 -5.06 117.16 113.25 2k2q n TYR 80 Ca 0.17 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.62 2k2q n TYR 80 Cb 0.27 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.13 2k2q n TYR 80 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2k2q s VAL 81 N 1.60 0.92 -2.12 -0.72 1.01 -1.26 -5.17 120.40 114.66 2k2q s VAL 81 Ca 0.00 -0.82 0.31 0.00 0.00 0.00 0.00 61.98 61.47 2k2q s VAL 81 Cb 0.00 -1.33 0.82 0.00 0.00 0.00 0.00 36.38 35.87 2k2q s VAL 81 CO 0.00 -0.17 2.12 0.00 0.00 0.00 0.00 175.10 177.05