#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 -0.28 1.80 -5.12 0.00 -1.26 -4.85 105.19 95.48 2k2q n GLY 2 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.58 2.54 -1.75 1.61 0.24 -1.26 -4.95 118.33 110.19 2k2q n VAL 3 Ca 0.01 -1.32 -0.27 0.00 -2.04 0.00 0.00 64.34 60.71 2k2q n VAL 3 Cb 0.55 -0.36 0.20 0.00 -1.47 0.00 0.00 33.84 32.76 2k2q n VAL 3 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2k2q n THR 4 N 0.23 0.00 -1.85 3.34 -2.24 -1.26 -4.70 114.28 107.80 2k2q n THR 4 Ca 0.30 -0.85 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 2k2q n THR 4 Cb 1.18 -1.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.88 2k2q n THR 4 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2k2q s GLU 5 N -5.66 3.47 -0.21 -0.78 8.01 -1.26 -4.50 118.70 117.77 2k2q s GLU 5 Ca 0.70 1.84 -0.27 0.00 0.01 0.00 0.00 54.97 57.25 2k2q s GLU 5 Cb -0.02 -4.22 -0.00 0.00 -4.31 0.00 0.00 34.13 25.58 2k2q s GLU 5 CO 0.49 -1.70 0.91 0.00 0.01 0.00 0.00 175.26 174.97 2k2q s ALA 6 N 6.70 3.61 0.30 5.21 0.00 0.23 -4.92 121.76 132.89 2k2q s ALA 6 Ca 0.86 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.90 2k2q s ALA 6 Cb -0.29 -3.37 0.47 0.00 0.00 0.00 0.00 23.12 19.93 2k2q s ALA 6 CO 0.34 -0.88 1.76 1.96 0.00 0.00 0.00 175.76 178.94 2k2q h GLN 7 N 7.48 0.44 -4.59 0.00 1.08 -1.92 -3.36 115.11 114.24 2k2q h GLN 7 Ca -0.24 -0.15 -0.72 0.00 -1.45 0.00 0.00 58.65 56.09 2k2q h GLN 7 Cb 1.09 -0.03 -0.21 0.00 -0.05 0.00 0.00 27.48 28.29 2k2q h GLN 7 CO 0.90 0.64 0.41 -0.47 -0.95 0.00 0.00 178.83 179.36 2k2q s TYR 8 N -4.54 3.26 -1.14 2.96 5.04 -1.26 -4.76 117.35 116.91 2k2q s TYR 8 Ca -0.07 -1.43 0.11 0.00 -2.44 0.00 0.00 57.07 53.24 2k2q s TYR 8 Cb 0.14 -4.07 0.20 0.00 0.35 0.00 0.00 41.96 38.58 2k2q s TYR 8 CO 0.78 -1.29 1.06 1.55 -1.34 0.00 0.00 175.55 176.31 2k2q n VAL 9 N 5.07 0.53 -2.30 3.14 3.14 -1.26 -3.98 118.33 122.67 2k2q n VAL 9 Ca 0.11 -0.76 -0.43 0.00 -2.96 0.00 0.00 64.34 60.30 2k2q n VAL 9 Cb 0.47 0.84 -0.02 0.00 -1.06 0.00 0.00 33.84 34.06 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 -0.96 3.62 0.91 1.55 0.00 -1.26 -4.73 121.76 120.89 2k2q s ALA 10 Ca 0.18 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.72 2k2q s ALA 10 Cb 0.11 -3.63 0.12 0.00 0.00 0.00 0.00 23.12 19.72 2k2q s ALA 10 CO 0.15 -1.12 0.75 -0.35 0.00 0.00 0.00 175.76 175.19 2k2q n PRO 11 N 6.31 -0.57 0.04 0.00 -0.04 -1.26 -4.70 135.00 134.79 2k2q n PRO 11 Ca 0.14 -1.32 0.06 0.00 -0.04 0.00 0.00 63.50 62.35 2k2q n PRO 11 Cb 0.44 -0.73 -0.07 0.00 -0.04 0.00 0.00 33.50 33.11 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 -2.92 0.74 -3.36 0.52 -2.24 -1.26 -5.01 114.28 100.75 2k2q n THR 12 Ca 0.10 -0.61 -0.01 0.00 -2.27 0.00 0.00 64.05 61.26 2k2q n THR 12 Cb 0.35 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2k2q n THR 12 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k2q n ASN 13 N -2.67 -0.29 0.00 3.42 2.85 -1.26 -5.00 115.26 112.31 2k2q n ASN 13 Ca -0.06 -1.17 0.12 0.00 -0.11 0.00 0.00 54.58 53.36 2k2q n ASN 13 Cb 0.69 0.47 0.55 0.00 1.24 0.00 0.00 39.78 42.73 2k2q n ASN 13 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2q n ALA 14 N -2.66 2.17 0.16 5.20 0.00 -1.26 -3.55 120.51 120.57 2k2q n ALA 14 Ca -0.02 -0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 2k2q n ALA 14 Cb 0.09 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.05 2k2q n ALA 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k2q h VAL 15 N 0.00 0.77 -0.52 0.00 2.07 -1.99 0.11 116.25 116.69 2k2q h VAL 15 Ca 0.00 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 2k2q h VAL 15 Cb 0.40 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2k2q h VAL 15 CO 0.00 0.01 0.02 -0.33 0.02 0.00 0.00 177.57 177.28 2k2q h GLU 16 N -0.34 0.86 -0.38 1.57 3.07 -1.96 -2.57 114.58 114.83 2k2q h GLU 16 Ca -0.03 -0.23 -0.05 0.00 -0.50 0.00 0.00 59.36 58.54 2k2q h GLU 16 Cb 0.26 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 2k2q h GLU 16 CO 0.05 0.85 0.03 0.77 -1.40 0.00 0.00 179.01 179.31 2k2q h SER 17 N 0.80 0.55 0.46 1.42 0.02 -1.61 0.23 113.55 115.42 2k2q h SER 17 Ca 0.16 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2k2q h SER 17 Cb 0.46 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2k2q h SER 17 CO 0.02 0.60 0.00 0.11 -1.14 0.00 0.00 176.83 176.42 2k2q h LYS 18 N 0.56 0.00 0.00 3.45 1.79 -0.55 -2.73 116.57 119.10 2k2q h LYS 18 Ca 0.12 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.36 2k2q h LYS 18 Cb 0.31 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.92 2k2q h LYS 18 CO 0.01 0.00 -1.89 1.28 -1.08 0.00 0.00 179.45 177.77 2k2q n LEU 19 N -2.77 1.72 0.25 2.94 4.77 -0.72 -4.54 117.00 118.66 2k2q n LEU 19 Ca -0.01 -0.05 0.10 0.00 -0.03 0.00 0.00 56.01 56.02 2k2q n LEU 19 Cb 0.17 -0.19 0.69 0.00 -2.33 0.00 0.00 43.42 41.75 2k2q n LEU 19 CO 0.20 0.57 1.09 0.00 -1.33 0.00 0.00 177.39 177.92 2k2q h ALA 20 N 0.26 1.96 0.00 -1.18 0.00 -0.44 -0.96 119.26 118.91 2k2q h ALA 20 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k2q h ALA 20 Cb 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2k2q h ALA 20 CO -0.02 -0.05 0.00 0.93 0.00 0.00 0.00 179.25 180.11 2k2q h GLU 21 N 0.00 0.00 0.00 0.00 4.39 -1.72 -2.01 114.58 115.24 2k2q h GLU 21 Ca 0.02 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.50 2k2q h GLU 21 Cb 0.08 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2k2q h GLU 21 CO -0.00 0.00 -1.67 -0.89 -1.16 0.00 0.00 179.01 175.29 2k2q n ILE 22 N -2.71 0.87 0.19 3.13 5.41 -0.45 -4.18 119.36 121.63 2k2q n ILE 22 Ca -0.01 -0.15 -0.15 0.00 1.00 0.00 0.00 62.75 63.44 2k2q n ILE 22 Cb 0.12 -1.73 -0.07 0.00 -0.71 0.00 0.00 39.64 37.24 2k2q n ILE 22 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2k2q h TRP 23 N -0.53 -0.51 -0.03 1.39 -0.00 -1.34 -0.02 115.95 114.91 2k2q h TRP 23 Ca -0.33 -0.00 -0.22 0.00 -0.00 0.00 0.00 58.89 58.34 2k2q h TRP 23 Cb 1.24 0.19 0.00 0.00 -0.00 0.00 0.00 29.16 30.58 2k2q h TRP 23 CO -0.07 -0.31 -0.88 1.49 -0.00 0.00 0.00 178.44 178.67 2k2q h GLU 24 N -0.49 0.44 0.00 0.49 4.57 -1.60 0.37 114.58 118.36 2k2q h GLU 24 Ca -0.03 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2k2q h GLU 24 Cb 0.41 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2k2q h GLU 24 CO 0.02 1.09 0.00 -0.09 -1.18 0.00 0.00 179.01 178.85 2k2q h ARG 25 N 0.27 0.00 0.00 1.92 9.65 -1.56 0.54 114.38 125.19 2k2q h ARG 25 Ca -0.07 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.76 2k2q h ARG 25 Cb 1.50 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.08 2k2q h ARG 25 CO 0.15 0.00 -0.94 0.28 2.80 0.00 0.00 179.97 182.27 2k2q n VAL 26 N -3.03 0.50 -0.03 0.20 0.31 -0.03 -4.73 118.33 111.51 2k2q n VAL 26 Ca 0.02 0.06 -0.20 0.00 -0.01 0.00 0.00 64.34 64.21 2k2q n VAL 26 Cb 0.37 -1.59 -0.13 0.00 -0.91 0.00 0.00 33.84 31.58 2k2q n VAL 26 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2k2q h LEU 27 N -0.14 0.22 0.00 7.52 4.07 -0.83 -3.42 115.31 122.72 2k2q h LEU 27 Ca -0.07 -0.80 0.00 0.00 0.08 0.00 0.00 57.88 57.09 2k2q h LEU 27 Cb 0.84 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.51 2k2q h LEU 27 CO -0.04 1.46 0.00 0.61 -1.08 0.00 0.00 178.44 179.39 2k2q n GLY 28 N 1.64 -2.23 3.74 0.83 0.00 0.10 -4.91 105.19 104.35 2k2q n GLY 28 Ca -0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.23 -3.77 0.00 1.61 0.31 0.19 -4.81 118.33 110.64 2k2q n VAL 29 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2k2q n VAL 29 Cb 0.00 -3.61 0.00 0.00 -0.91 0.00 0.00 33.84 29.32 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 -2.99 0.00 0.00 4.52 7.64 -1.26 -5.08 113.62 116.45 2k2q n SER 30 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2k2q n SER 30 Cb 0.62 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.91 0.78 2.75 0.23 0.00 -1.26 -4.14 105.19 104.47 2k2q n GLY 31 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.00 0.00 -0.61 -5.35 -1.26 -0.60 119.36 111.54 2k2q n ILE 32 Ca 0.00 -1.11 0.00 0.00 -0.27 0.00 0.00 62.75 61.37 2k2q n ILE 32 Cb 0.00 -1.05 0.00 0.00 -1.74 0.00 0.00 39.64 36.85 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 -0.44 1.11 2.94 3.28 0.00 -1.26 -4.88 105.19 105.94 2k2q n GLY 33 Ca 0.12 0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 4.20 -2.14 -0.61 2.08 -1.26 -4.24 119.36 117.40 2k2q n ILE 34 Ca 0.00 -4.24 -0.01 0.00 0.56 0.00 0.00 62.75 59.06 2k2q n ILE 34 Cb 0.00 -2.40 -0.02 0.00 -0.75 0.00 0.00 39.64 36.47 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 4.51 -0.04 -0.85 1.39 4.77 -1.26 -4.95 117.00 120.58 2k2q n LEU 35 Ca 0.41 -1.59 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 2k2q n LEU 35 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2k2q n LEU 35 CO 0.81 0.87 -0.23 -0.67 -1.33 0.00 0.00 177.39 176.84 2k2q n ASP 36 N 0.14 -5.20 -3.51 -1.43 2.03 -1.26 -5.12 116.55 102.20 2k2q n ASP 36 Ca -0.07 0.64 -0.01 0.00 0.52 0.00 0.00 54.79 55.87 2k2q n ASP 36 Cb 0.78 -1.92 0.02 0.00 -0.72 0.00 0.00 41.12 39.27 2k2q n ASP 36 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k2q s ASN 37 N -2.15 0.01 0.49 1.67 2.20 -1.26 -4.93 114.94 110.96 2k2q s ASN 37 Ca 0.00 -0.52 0.22 0.00 -0.94 0.00 0.00 52.86 51.63 2k2q s ASN 37 Cb 0.00 0.38 1.27 0.00 -2.00 0.00 0.00 41.25 40.90 2k2q s ASN 37 CO 0.00 -0.76 1.94 2.19 -2.94 0.00 0.00 177.10 177.53 2k2q h PHE 38 N 2.00 0.21 0.07 1.54 -0.00 -1.96 -2.38 116.94 116.43 2k2q h PHE 38 Ca -0.26 0.01 -0.35 0.00 -0.00 0.00 0.00 57.97 57.37 2k2q h PHE 38 Cb 1.21 -0.07 -0.03 0.00 -0.00 0.00 0.00 35.95 37.05 2k2q h PHE 38 CO 1.38 0.07 -2.02 0.34 -0.00 0.00 0.00 178.31 178.09 2k2q n PHE 39 N -4.41 0.96 -1.28 6.09 7.35 -1.26 -4.12 117.46 120.80 2k2q n PHE 39 Ca 0.14 0.24 -0.38 0.00 -0.76 0.00 0.00 57.45 56.69 2k2q n PHE 39 Cb 0.65 -1.14 -0.03 0.00 0.35 0.00 0.00 39.48 39.32 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 -3.31 3.48 0.00 -4.13 7.27 -0.89 -2.54 117.38 117.27 2k2q n GLN 40 Ca -0.30 -2.15 0.00 0.00 0.07 0.00 0.00 57.00 54.62 2k2q n GLN 40 Cb 1.05 -2.80 0.00 0.00 2.41 0.00 0.00 30.24 30.90 2k2q n GLN 40 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 2k2q n ILE 41 N 3.75 0.00 -2.78 1.69 0.13 -1.25 -4.08 119.36 116.81 2k2q n ILE 41 Ca 0.74 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 62.29 2k2q n ILE 41 Cb 0.23 0.00 0.07 0.00 -0.84 0.00 0.00 39.64 39.10 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 -0.53 0.85 3.56 4.50 0.00 -1.16 -4.46 105.19 107.95 2k2q n GLY 42 Ca 0.00 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.43 0.60 0.39 -0.02 0.00 -0.65 -4.81 107.32 101.39 2k2q s GLY 43 Ca 0.25 -0.80 0.21 0.00 0.00 0.00 0.00 44.72 44.38 2k2q s GLY 43 CO -0.08 3.04 1.59 0.45 0.00 0.00 0.00 173.10 178.10 2k2q h HIS 44 N 12.49 0.00 -2.44 1.90 3.86 -1.90 -3.45 115.15 125.61 2k2q h HIS 44 Ca -0.27 0.00 0.26 0.00 -1.16 0.00 0.00 60.37 59.20 2k2q h HIS 44 Cb 1.11 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.47 2k2q h HIS 44 CO 1.06 0.20 -0.76 0.43 0.86 0.00 0.00 177.93 179.72 2k2q n SER 45 N -3.17 -5.93 -0.15 2.45 7.64 -1.26 -4.68 113.62 108.51 2k2q n SER 45 Ca 0.03 0.87 0.01 0.00 1.01 0.00 0.00 58.87 60.79 2k2q n SER 45 Cb 0.58 -3.42 0.04 0.00 -1.01 0.00 0.00 64.21 60.40 2k2q n SER 45 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k2q n LEU 46 N -3.74 2.22 -4.43 -3.43 4.77 -1.26 -5.00 117.00 106.13 2k2q n LEU 46 Ca -0.04 -2.00 -0.21 0.00 -0.03 0.00 0.00 56.01 53.73 2k2q n LEU 46 Cb 0.48 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 2k2q n LEU 46 CO 0.02 0.55 -0.34 -0.54 -1.33 0.00 0.00 177.39 175.76 2k2q s LYS 47 N -1.00 1.56 0.00 3.23 -0.14 -1.26 -5.01 119.74 117.12 2k2q s LYS 47 Ca 0.06 -1.81 0.09 0.00 -1.36 0.00 0.00 55.97 52.94 2k2q s LYS 47 Cb 0.03 -1.03 0.51 0.00 -1.68 0.00 0.00 37.83 35.65 2k2q s LYS 47 CO 0.04 -0.03 0.93 0.00 -0.76 0.00 0.00 175.35 175.52 2k2q n ALA 48 N -0.60 1.89 -0.12 5.17 0.00 -1.26 -2.86 120.51 122.74 2k2q n ALA 48 Ca -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 2k2q n ALA 48 Cb 0.64 -1.14 0.20 0.00 0.00 0.00 0.00 19.45 19.16 2k2q n ALA 48 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2k2q h MET 49 N 0.00 0.80 0.00 0.00 -1.53 -1.95 -2.00 114.93 110.25 2k2q h MET 49 Ca 0.00 -0.16 -0.01 0.00 -3.44 0.00 0.00 59.70 56.08 2k2q h MET 49 Cb 0.00 -0.12 -0.00 0.00 -0.55 0.00 0.00 31.60 30.93 2k2q h MET 49 CO 0.00 0.73 -0.07 0.00 0.14 0.00 0.00 176.91 177.71 2k2q h ALA 50 N 1.36 1.07 -0.58 0.39 0.00 -1.80 -2.57 119.26 117.14 2k2q h ALA 50 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k2q h ALA 50 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2k2q h ALA 50 CO -0.00 0.08 0.38 0.28 0.00 0.00 0.00 179.25 179.99 2k2q h VAL 51 N 0.00 1.15 -0.63 0.00 2.07 -1.59 0.21 116.25 117.46 2k2q h VAL 51 Ca -0.00 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2k2q h VAL 51 Cb 0.41 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2k2q h VAL 51 CO 0.01 0.15 0.16 0.00 0.02 0.00 0.00 177.57 177.90 2k2q h ALA 52 N 1.63 0.83 -0.23 1.67 0.00 -1.57 -1.80 119.26 119.79 2k2q h ALA 52 Ca 0.21 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2k2q h ALA 52 Cb -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2k2q h ALA 52 CO -0.05 0.55 -0.60 0.00 0.00 0.00 0.00 179.25 179.15 2k2q h ALA 53 N 1.05 0.38 -0.05 0.00 0.00 -1.46 -1.65 119.26 117.54 2k2q h ALA 53 Ca 0.20 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2k2q h ALA 53 Cb 0.35 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2k2q h ALA 53 CO 0.00 0.63 -0.21 1.96 0.00 0.00 0.00 179.25 181.63 2k2q h GLN 54 N 0.57 -0.30 0.00 0.00 1.08 -0.35 -1.02 115.11 115.08 2k2q h GLN 54 Ca -0.01 0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 2k2q h GLN 54 Cb 1.21 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.70 2k2q h GLN 54 CO 0.13 -0.20 -0.58 0.28 -0.95 0.00 0.00 178.83 177.51 2k2q h VAL 55 N -0.32 1.33 -0.07 -0.54 2.07 -1.39 0.40 116.25 117.74 2k2q h VAL 55 Ca 0.08 -2.03 -0.06 0.00 0.82 0.00 0.00 66.70 65.50 2k2q h VAL 55 Cb 0.42 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2k2q h VAL 55 CO -0.23 0.57 -0.23 -0.74 0.02 0.00 0.00 177.57 176.95 2k2q h HIS 56 N 0.00 0.13 -0.66 1.57 2.76 -0.60 -1.74 115.15 116.62 2k2q h HIS 56 Ca -0.01 -0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.03 2k2q h HIS 56 Cb 1.07 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.93 2k2q h HIS 56 CO 0.00 0.35 0.14 -2.13 -1.30 0.00 0.00 177.93 175.00 2k2q n ARG 57 N -4.21 4.24 -3.63 5.26 3.00 -0.45 -4.93 116.66 115.94 2k2q n ARG 57 Ca -0.01 -3.13 -0.22 0.00 -0.00 0.00 0.00 57.85 54.49 2k2q n ARG 57 Cb 0.32 -2.23 0.04 0.00 0.00 0.00 0.00 32.46 30.59 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 0.17 -4.31 -2.24 -0.14 4.07 -0.65 -4.20 120.64 113.35 2k2q n GLU 58 Ca 0.35 0.64 -0.01 0.00 -0.06 0.00 0.00 57.16 58.08 2k2q n GLU 58 Cb 1.30 -5.16 -0.01 0.00 -0.06 0.00 0.00 31.44 27.51 2k2q n GLU 58 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2k2q n TYR 59 N -4.14 -2.62 -0.17 4.31 4.01 0.14 -4.94 117.16 113.75 2k2q n TYR 59 Ca -0.25 1.28 -0.10 0.00 -0.16 0.00 0.00 57.90 58.67 2k2q n TYR 59 Cb 0.66 -3.07 0.00 0.00 -0.31 0.00 0.00 39.34 36.63 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 2.12 0.87 0.00 -0.72 4.20 -1.72 -3.46 115.11 116.40 2k2q h GLN 60 Ca -0.11 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2k2q h GLN 60 Cb 0.26 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2k2q h GLN 60 CO 0.04 0.90 0.00 0.28 -0.67 0.00 0.00 178.83 179.39 2k2q n VAL 61 N -4.33 0.00 0.00 -0.54 0.31 -1.26 -4.07 118.33 108.44 2k2q n VAL 61 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2k2q n VAL 61 Cb 0.31 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 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 -4.22 5.55 -0.58 -1.26 -5.06 120.64 115.08 2k2q n GLU 62 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 2k2q n GLU 62 Cb 0.00 -0.04 -0.09 0.00 -0.57 0.00 0.00 31.44 30.73 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 -2.94 3.71 -1.34 -4.62 1.43 -1.26 -5.01 118.68 108.66 2k2q s LEU 63 Ca 0.00 0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.15 2k2q s LEU 63 Cb 0.00 -1.88 -0.12 0.00 0.03 0.00 0.00 46.19 44.22 2k2q s LEU 63 CO 0.00 0.31 3.06 -0.81 0.23 0.00 0.00 176.35 179.14 2k2q n PRO 64 N 2.62 3.39 -1.83 1.29 -0.04 -1.26 -4.82 135.00 134.36 2k2q n PRO 64 Ca -0.18 -1.98 -0.43 0.00 -0.04 0.00 0.00 63.50 60.87 2k2q n PRO 64 Cb 0.53 -2.66 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 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 0.14 3.49 -0.41 1.53 1.43 -1.26 -3.83 118.68 119.77 2k2q s LEU 65 Ca 0.69 1.58 -0.14 0.00 -1.03 0.00 0.00 54.13 55.23 2k2q s LEU 65 Cb 0.20 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.92 2k2q s LEU 65 CO -0.05 -1.80 0.54 0.29 0.23 0.00 0.00 176.35 175.55 2k2q n LYS 66 N 8.55 -2.44 0.10 1.70 4.76 -1.26 -4.99 118.16 124.58 2k2q n LYS 66 Ca 0.26 2.16 0.00 0.00 -2.87 0.00 0.00 58.31 57.85 2k2q n LYS 66 Cb 0.46 -5.58 0.00 0.00 -1.84 0.00 0.00 35.03 28.07 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 -0.22 0.00 0.02 -0.18 3.14 -1.25 -4.94 118.33 114.91 2k2q n VAL 67 Ca 0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 2k2q n VAL 67 Cb 0.41 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.11 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 -2.94 -0.44 -1.59 6.55 7.94 -1.26 -4.98 117.00 120.28 2k2q n LEU 68 Ca 0.00 0.38 -0.00 0.00 -1.11 0.00 0.00 56.01 55.28 2k2q n LEU 68 Cb 0.00 0.71 -0.01 0.00 0.53 0.00 0.00 43.42 44.66 2k2q n LEU 68 CO 0.00 0.01 0.89 0.49 -1.11 0.00 0.00 177.39 177.67 2k2q n PHE 69 N -2.60 0.00 -2.01 1.96 3.72 -1.26 -2.61 117.46 114.65 2k2q n PHE 69 Ca 0.00 -0.88 -0.00 0.00 -0.05 0.00 0.00 57.45 56.51 2k2q n PHE 69 Cb 0.00 -0.51 -0.00 0.00 -0.94 0.00 0.00 39.48 38.03 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 1.61 2.14 -3.10 4.37 0.00 -1.26 -1.63 120.51 122.64 2k2q n ALA 70 Ca 0.02 -0.35 -0.25 0.00 0.00 0.00 0.00 53.44 52.85 2k2q n ALA 70 Cb 0.45 -0.16 -0.16 0.00 0.00 0.00 0.00 19.45 19.57 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 1.76 0.48 0.00 -1.52 -1.07 -4.71 119.66 114.59 2k2q s GLN 71 Ca 0.01 -0.54 0.25 0.00 -1.95 0.00 0.00 55.36 53.13 2k2q s GLN 71 Cb 0.01 -1.49 1.17 0.00 -0.22 0.00 0.00 33.01 32.48 2k2q s GLN 71 CO -0.00 0.16 1.95 -1.00 -0.25 0.00 0.00 175.29 176.15 2k2q h PRO 72 N 6.50 0.00 -3.58 2.91 0.13 -1.90 -3.36 132.00 132.70 2k2q h PRO 72 Ca -0.31 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.12 2k2q h PRO 72 Cb 1.18 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.96 2k2q h PRO 72 CO 0.48 0.19 -0.35 0.99 -0.23 0.00 0.00 178.00 179.08 2k2q s THR 73 N -3.94 3.78 0.17 1.56 2.01 -1.26 -4.89 115.64 113.08 2k2q s THR 73 Ca -0.01 -2.97 -0.08 0.00 0.31 0.00 0.00 61.69 58.94 2k2q s THR 73 Cb 0.12 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 2k2q s THR 73 CO 0.62 -0.89 1.54 0.40 -0.69 0.00 0.00 174.62 175.60 2k2q h ILE 74 N 5.23 1.28 -0.04 1.82 2.04 -1.91 -2.97 117.51 122.96 2k2q h ILE 74 Ca -0.01 -1.49 0.01 0.00 1.00 0.00 0.00 64.86 64.37 2k2q h ILE 74 Cb 0.95 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2k2q h ILE 74 CO 0.71 0.50 0.06 0.07 0.00 0.00 0.00 178.15 179.49 2k2q h LYS 75 N 0.72 0.00 0.00 2.37 5.09 -1.93 0.19 116.57 123.01 2k2q h LYS 75 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.70 2k2q h LYS 75 Cb 0.89 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.20 2k2q h LYS 75 CO 0.08 0.00 -0.53 0.00 -2.09 0.00 0.00 179.45 176.91 2k2q h ALA 76 N 1.91 0.81 0.00 0.07 0.00 -1.95 -3.28 119.26 116.82 2k2q h ALA 76 Ca 0.02 -0.48 -0.34 0.00 0.00 0.00 0.00 54.91 54.10 2k2q h ALA 76 Cb 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2k2q h ALA 76 CO -0.00 0.66 -2.29 1.28 0.00 0.00 0.00 179.25 178.90 2k2q n LEU 77 N -3.45 0.17 0.18 0.00 4.77 -0.28 -4.39 117.00 114.00 2k2q n LEU 77 Ca 0.00 -0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2k2q n LEU 77 Cb 0.65 0.39 0.67 0.00 -2.33 0.00 0.00 43.42 42.80 2k2q n LEU 77 CO 0.40 0.49 1.11 0.00 -1.33 0.00 0.00 177.39 178.06 2k2q h ALA 78 N 0.88 2.13 0.00 -1.18 0.00 -0.78 0.32 119.26 120.63 2k2q h ALA 78 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2k2q h ALA 78 Cb 2.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2k2q h ALA 78 CO 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.06 2k2q n GLN 79 N -4.44 0.02 -0.08 0.00 10.64 -1.24 -2.34 117.38 119.95 2k2q n GLN 79 Ca 0.01 0.15 0.08 0.00 -1.83 0.00 0.00 57.00 55.40 2k2q n GLN 79 Cb 0.26 -1.50 0.11 0.00 -0.86 0.00 0.00 30.24 28.25 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 -1.48 0.20 -0.02 2.61 4.01 0.10 -4.41 117.16 118.16 2k2q n TYR 80 Ca 0.05 -0.16 -0.11 0.00 -0.16 0.00 0.00 57.90 57.53 2k2q n TYR 80 Cb 0.23 -0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 39.12 2k2q n TYR 80 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2k2q n VAL 81 N 0.90 1.63 1.47 -0.72 0.31 -0.99 -5.13 118.33 115.79 2k2q n VAL 81 Ca 0.11 -0.77 0.14 0.00 -0.01 0.00 0.00 64.34 63.81 2k2q n VAL 81 Cb 0.42 -1.13 0.50 0.00 -0.91 0.00 0.00 33.84 32.72 2k2q n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51