#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 0.04 1.49 -5.12 0.00 -1.26 -4.92 105.19 95.43 2k2q n GLY 2 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.95 1.70 -1.88 1.61 0.24 -1.26 -4.95 118.33 109.84 2k2q n VAL 3 Ca -0.04 -1.07 -0.32 0.00 -2.04 0.00 0.00 64.34 60.87 2k2q n VAL 3 Cb 0.56 0.06 0.02 0.00 -1.47 0.00 0.00 33.84 33.01 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 -1.86 3.94 -0.66 3.34 2.01 -1.26 -4.49 115.64 116.65 2k2q s THR 4 Ca 0.47 0.80 -0.31 0.00 0.31 0.00 0.00 61.69 62.96 2k2q s THR 4 Cb 0.30 -3.41 -0.14 0.00 0.01 0.00 0.00 72.50 69.26 2k2q s THR 4 CO 0.22 -0.66 2.47 -0.62 -0.69 0.00 0.00 174.62 175.34 2k2q n GLU 5 N -2.44 0.60 -2.48 4.92 4.71 -1.24 -4.67 120.64 120.03 2k2q n GLU 5 Ca 0.08 0.06 -0.40 0.00 -0.01 0.00 0.00 57.16 56.89 2k2q n GLU 5 Cb 0.53 -2.40 -0.04 0.00 -1.01 0.00 0.00 31.44 28.52 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 9.66 3.39 -0.96 0.62 0.00 0.36 -4.92 121.76 129.91 2k2q s ALA 6 Ca 1.16 0.89 0.28 0.00 0.00 0.00 0.00 51.96 54.28 2k2q s ALA 6 Cb -0.80 -3.32 0.98 0.00 0.00 0.00 0.00 23.12 19.97 2k2q s ALA 6 CO 0.42 -0.16 1.76 1.04 0.00 0.00 0.00 175.76 178.82 2k2q n GLN 7 N 1.12 0.04 -3.55 0.00 1.13 -1.26 -4.35 117.38 110.51 2k2q n GLN 7 Ca -0.01 0.02 -0.40 0.00 -1.94 0.00 0.00 57.00 54.68 2k2q n GLN 7 Cb 0.45 -1.54 -0.05 0.00 0.11 0.00 0.00 30.24 29.21 2k2q n GLN 7 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2k2q s TYR 8 N -3.02 3.79 -0.33 1.08 5.04 -1.26 -4.76 117.35 117.89 2k2q s TYR 8 Ca 0.13 -2.67 0.12 0.00 -2.44 0.00 0.00 57.07 52.20 2k2q s TYR 8 Cb 0.18 -3.45 -0.15 0.00 0.35 0.00 0.00 41.96 38.89 2k2q s TYR 8 CO 0.59 -0.85 0.40 1.55 -1.34 0.00 0.00 175.55 175.89 2k2q n VAL 9 N 3.06 0.00 -2.25 3.14 3.14 -1.26 -4.09 118.33 120.07 2k2q n VAL 9 Ca 0.16 -0.25 -0.43 0.00 -2.96 0.00 0.00 64.34 60.87 2k2q n VAL 9 Cb 0.40 0.68 -0.02 0.00 -1.06 0.00 0.00 33.84 33.83 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 -2.39 3.45 0.69 1.55 0.00 -1.26 -4.69 121.76 119.11 2k2q s ALA 10 Ca 0.01 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2k2q s ALA 10 Cb 0.08 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2k2q s ALA 10 CO 0.48 -1.62 0.00 -0.35 0.00 0.00 0.00 175.76 174.27 2k2q n PRO 11 N 7.23 1.56 -0.10 0.00 -0.04 -1.26 -4.87 135.00 137.52 2k2q n PRO 11 Ca 0.16 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.42 2k2q n PRO 11 Cb 0.45 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.06 1.26 -4.11 0.52 -2.24 -1.26 -5.03 114.28 103.35 2k2q n THR 12 Ca 0.00 -0.22 -0.25 0.00 -2.27 0.00 0.00 64.05 61.31 2k2q n THR 12 Cb 0.00 -1.88 -0.06 0.00 -2.10 0.00 0.00 70.33 66.30 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 -6.80 5.39 0.40 3.42 3.84 -1.26 -5.02 114.94 114.92 2k2q s ASN 13 Ca -0.30 -0.21 0.07 0.00 0.21 0.00 0.00 52.86 52.64 2k2q s ASN 13 Cb 0.10 -1.36 0.83 0.00 -0.55 0.00 0.00 41.25 40.28 2k2q s ASN 13 CO 0.38 0.04 2.02 0.00 -2.79 0.00 0.00 177.10 176.75 2k2q h ALA 14 N 2.22 1.64 -0.75 1.71 0.00 -1.99 -1.70 119.26 120.39 2k2q h ALA 14 Ca -0.48 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 2k2q h ALA 14 Cb 1.21 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2k2q h ALA 14 CO 0.62 0.29 0.35 0.28 0.00 0.00 0.00 179.25 180.79 2k2q h VAL 15 N 0.48 1.24 0.00 0.00 2.07 -1.99 -0.10 116.25 117.94 2k2q h VAL 15 Ca 0.12 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 2k2q h VAL 15 Cb 0.05 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2k2q h VAL 15 CO -0.02 0.28 -0.36 -0.33 0.02 0.00 0.00 177.57 177.17 2k2q h GLU 16 N 1.06 0.00 0.00 1.57 4.39 -1.73 -2.57 114.58 117.30 2k2q h GLU 16 Ca 0.26 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.78 2k2q h GLU 16 Cb 0.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2k2q h GLU 16 CO -0.03 0.36 -0.86 0.77 -1.16 0.00 0.00 179.01 178.08 2k2q h SER 17 N 0.00 0.00 0.53 1.42 0.02 -0.80 -3.12 113.55 111.61 2k2q h SER 17 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2k2q h SER 17 Cb 0.78 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2k2q h SER 17 CO 0.05 0.86 -0.19 0.50 -1.14 0.00 0.00 176.83 176.91 2k2q h LYS 18 N 0.00 0.00 0.00 3.45 3.64 -0.64 -1.96 116.57 121.06 2k2q h LYS 18 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2k2q h LYS 18 Cb 1.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 2k2q h LYS 18 CO 0.11 0.19 0.00 -0.07 -2.27 0.00 0.00 179.45 177.41 2k2q h LEU 19 N 0.00 0.00 -0.52 5.20 3.38 -1.46 -3.03 115.31 118.88 2k2q h LEU 19 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2k2q h LEU 19 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2k2q h LEU 19 CO 0.02 0.00 0.26 0.00 0.09 0.00 0.00 178.44 178.81 2k2q h ALA 20 N 2.12 0.67 -0.44 1.53 0.00 -1.49 0.43 119.26 122.07 2k2q h ALA 20 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k2q h ALA 20 Cb 0.44 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2k2q h ALA 20 CO 0.00 0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.86 2k2q n GLU 21 N -4.60 3.27 0.00 0.00 1.02 -1.15 -3.20 120.64 115.98 2k2q n GLU 21 Ca 0.02 -2.12 0.00 0.00 -0.02 0.00 0.00 57.16 55.05 2k2q n GLU 21 Cb 0.11 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 2k2q n GLU 21 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2k2q n ILE 22 N 0.63 0.04 -0.12 -3.67 5.41 -0.77 -4.79 119.36 116.08 2k2q n ILE 22 Ca 0.19 0.01 -0.17 0.00 1.00 0.00 0.00 62.75 63.78 2k2q n ILE 22 Cb 0.77 -1.41 -0.11 0.00 -0.71 0.00 0.00 39.64 38.18 2k2q n ILE 22 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 2k2q n TRP 23 N -2.97 0.00 -0.25 1.39 7.02 0.14 -4.21 117.44 118.56 2k2q n TRP 23 Ca 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.44 2k2q n TRP 23 Cb 0.44 -0.90 0.11 0.00 -2.42 0.00 0.00 31.31 28.54 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 -0.07 1.10 -0.58 -0.99 4.57 -1.51 0.51 114.58 117.62 2k2q h GLU 24 Ca -0.53 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.46 2k2q h GLU 24 Cb 1.79 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.19 2k2q h GLU 24 CO -0.10 0.89 0.00 0.54 -1.18 0.00 0.00 179.01 179.15 2k2q n ARG 25 N -4.29 2.16 0.05 1.92 3.00 -1.20 0.88 116.66 119.17 2k2q n ARG 25 Ca 0.07 -1.18 0.00 0.00 -0.01 0.00 0.00 57.85 56.73 2k2q n ARG 25 Cb 0.18 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 31.10 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 0.31 0.11 -0.12 1.55 0.31 -0.82 -4.92 118.33 114.75 2k2q n VAL 26 Ca 0.11 0.04 -0.19 0.00 -0.01 0.00 0.00 64.34 64.28 2k2q n VAL 26 Cb 0.45 -0.76 -0.10 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.94 2.66 0.00 7.52 7.94 0.17 -4.80 117.00 127.54 2k2q n LEU 27 Ca 0.00 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2k2q n LEU 27 Cb 0.08 -0.81 0.00 0.00 0.53 0.00 0.00 43.42 43.22 2k2q n LEU 27 CO 0.00 0.80 0.23 0.61 -1.11 0.00 0.00 177.39 177.92 2k2q n GLY 28 N 2.11 -2.02 3.82 -3.96 0.00 -0.42 -4.90 105.19 99.82 2k2q n GLY 28 Ca -0.44 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.69 -2.79 0.00 1.61 0.31 0.25 -4.81 118.33 112.21 2k2q n VAL 29 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2k2q n VAL 29 Cb 0.00 -3.22 0.00 0.00 -0.91 0.00 0.00 33.84 29.71 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 -2.91 0.05 -0.31 4.52 7.64 -1.26 -5.07 113.62 116.28 2k2q n SER 30 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2k2q n SER 30 Cb 0.57 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.37 0.66 0.00 0.23 0.00 -1.26 -3.72 105.19 101.47 2k2q n GLY 31 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.31 0.00 -0.69 -0.61 -5.35 -1.26 -0.49 119.36 110.65 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 -0.78 0.00 0.00 -1.74 0.00 0.00 39.64 37.24 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 -0.65 3.09 3.28 0.00 -1.26 -4.78 105.19 109.86 2k2q n GLY 33 Ca 0.00 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 3.77 3.53 -1.73 -0.61 2.08 -1.26 -4.08 119.36 121.06 2k2q n ILE 34 Ca 0.00 -3.34 0.00 0.00 0.56 0.00 0.00 62.75 59.97 2k2q n ILE 34 Cb 0.00 -2.49 0.00 0.00 -0.75 0.00 0.00 39.64 36.40 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 7.23 0.00 -0.81 1.39 4.77 -1.26 -4.99 117.00 123.33 2k2q n LEU 35 Ca 0.51 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2k2q n LEU 35 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2k2q n LEU 35 CO 0.85 0.36 -0.20 -0.67 -1.33 0.00 0.00 177.39 176.40 2k2q n ASP 36 N 0.00 -5.08 -0.58 -1.43 2.03 -1.26 -5.13 116.55 105.11 2k2q n ASP 36 Ca 0.00 0.56 0.00 0.00 0.52 0.00 0.00 54.79 55.87 2k2q n ASP 36 Cb 0.58 -1.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 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 0.01 0.00 0.18 1.67 0.23 -1.21 -4.96 115.26 111.19 2k2q n ASN 37 Ca 0.00 -0.58 0.03 0.00 -0.53 0.00 0.00 54.58 53.50 2k2q n ASN 37 Cb 0.00 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.11 2k2q n ASN 37 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 2k2q h PHE 38 N 0.58 0.05 0.00 -2.53 -0.00 -1.98 -3.26 116.94 109.80 2k2q h PHE 38 Ca 0.00 -0.01 -0.17 0.00 -0.00 0.00 0.00 57.97 57.79 2k2q h PHE 38 Cb 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 35.95 35.91 2k2q h PHE 38 CO 0.00 0.31 -1.04 0.35 -0.00 0.00 0.00 178.31 177.93 2k2q h PHE 39 N 0.04 0.00 -0.39 6.09 3.57 -1.95 -3.37 116.94 120.93 2k2q h PHE 39 Ca 0.01 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.94 2k2q h PHE 39 Cb 0.50 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 2k2q h PHE 39 CO 0.00 1.15 2.00 0.94 -2.23 0.00 0.00 178.31 180.17 2k2q n GLN 40 N -4.48 2.23 0.00 1.11 7.27 -1.23 -1.18 117.38 121.09 2k2q n GLN 40 Ca -0.26 -2.58 0.00 0.00 0.07 0.00 0.00 57.00 54.24 2k2q n GLN 40 Cb 0.58 -3.41 0.00 0.00 2.41 0.00 0.00 30.24 29.82 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 6.57 0.00 0.00 1.69 0.13 -1.26 -3.28 119.36 123.21 2k2q n ILE 41 Ca 0.48 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.13 2k2q n ILE 41 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.24 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 -0.01 0.00 3.83 4.50 0.00 -0.98 -4.77 105.19 107.76 2k2q n GLY 42 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 2.46 0.00 -0.02 0.00 -0.33 -4.88 107.32 104.55 2k2q s GLY 43 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.90 2k2q s GLY 43 CO 0.00 0.45 0.00 -2.39 0.00 0.00 0.00 173.10 171.16 2k2q n HIS 44 N -0.04 0.00 -4.97 1.90 1.44 -1.26 -4.95 115.22 107.34 2k2q n HIS 44 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 2k2q n HIS 44 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 2k2q n HIS 44 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2k2q n SER 45 N 0.00 -3.93 -4.44 4.39 7.64 -1.26 -4.00 113.62 112.01 2k2q n SER 45 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 2k2q n SER 45 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2k2q n SER 45 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2k2q s LEU 46 N 0.00 5.25 0.03 -3.43 1.02 -1.26 -4.93 118.68 115.36 2k2q s LEU 46 Ca 0.00 -3.06 -0.05 0.00 0.02 0.00 0.00 54.13 51.04 2k2q s LEU 46 Cb 0.00 -2.37 -0.01 0.00 0.02 0.00 0.00 46.19 43.83 2k2q s LEU 46 CO 0.00 -0.69 0.09 -0.54 0.02 0.00 0.00 176.35 175.24 2k2q s LYS 47 N 1.18 0.53 0.03 1.70 1.02 -1.26 -5.03 119.74 117.92 2k2q s LYS 47 Ca 0.41 -0.65 0.13 0.00 0.02 0.00 0.00 55.97 55.88 2k2q s LYS 47 Cb -0.04 0.21 0.55 0.00 -0.52 0.00 0.00 37.83 38.03 2k2q s LYS 47 CO -0.01 -0.13 1.40 0.00 -0.92 0.00 0.00 175.35 175.69 2k2q n ALA 48 N 1.04 1.52 0.30 5.17 0.00 -1.26 -2.50 120.51 124.78 2k2q n ALA 48 Ca -0.21 -0.02 0.19 0.00 0.00 0.00 0.00 53.44 53.40 2k2q n ALA 48 Cb 0.57 -1.21 0.96 0.00 0.00 0.00 0.00 19.45 19.78 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 0.00 0.00 0.00 -1.53 -1.96 -1.39 114.93 110.05 2k2q h MET 49 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2k2q h MET 49 Cb 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.26 2k2q h MET 49 CO 0.00 0.03 -0.18 0.00 0.14 0.00 0.00 176.91 176.89 2k2q h ALA 50 N 1.97 0.90 0.00 0.39 0.00 -1.81 -3.26 119.26 117.45 2k2q h ALA 50 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2k2q h ALA 50 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k2q h ALA 50 CO 0.00 0.00 -0.44 0.28 0.00 0.00 0.00 179.25 179.09 2k2q h VAL 51 N 0.00 1.10 -0.63 0.00 2.07 -1.45 -3.02 116.25 114.31 2k2q h VAL 51 Ca 0.00 -1.63 0.12 0.00 0.82 0.00 0.00 66.70 66.01 2k2q h VAL 51 Cb 0.91 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 2k2q h VAL 51 CO 0.00 0.43 0.43 0.00 0.02 0.00 0.00 177.57 178.45 2k2q h ALA 52 N 1.56 2.08 -0.14 1.67 0.00 -1.66 -1.27 119.26 121.49 2k2q h ALA 52 Ca -0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2k2q h ALA 52 Cb 0.90 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2k2q h ALA 52 CO 0.06 -0.23 -0.58 0.00 0.00 0.00 0.00 179.25 178.49 2k2q h ALA 53 N 1.69 0.26 -0.70 0.00 0.00 -1.76 -2.00 119.26 116.75 2k2q h ALA 53 Ca 0.30 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2k2q h ALA 53 Cb 0.66 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2k2q h ALA 53 CO -0.08 0.50 0.23 1.96 0.00 0.00 0.00 179.25 181.86 2k2q h GLN 54 N 0.32 1.08 0.00 0.00 1.08 -1.37 -1.51 115.11 114.70 2k2q h GLN 54 Ca -0.03 -0.22 -0.14 0.00 -1.45 0.00 0.00 58.65 56.80 2k2q h GLN 54 Cb 1.21 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.46 2k2q h GLN 54 CO 0.12 0.92 -0.67 0.28 -0.95 0.00 0.00 178.83 178.54 2k2q h VAL 55 N 1.02 1.24 -0.01 -0.54 2.07 -1.34 -2.14 116.25 116.56 2k2q h VAL 55 Ca 0.23 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2k2q h VAL 55 Cb 0.28 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2k2q h VAL 55 CO -0.01 0.65 -0.37 1.41 0.02 0.00 0.00 177.57 179.27 2k2q n HIS 56 N -3.40 0.00 0.16 1.57 8.25 -0.75 -3.79 115.22 117.26 2k2q n HIS 56 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 2k2q n HIS 56 Cb 0.75 -0.13 0.08 0.00 1.12 0.00 0.00 29.99 31.81 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 -0.80 1.49 -3.33 -0.41 3.00 -0.59 -5.00 116.66 111.02 2k2q n ARG 57 Ca 0.10 -1.49 -0.17 0.00 -0.00 0.00 0.00 57.85 56.28 2k2q n ARG 57 Cb 0.36 -1.21 0.07 0.00 0.00 0.00 0.00 32.46 31.67 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 0.50 -2.63 -2.24 -0.14 2.13 -1.18 -4.46 120.64 112.62 2k2q n GLU 58 Ca 0.08 0.81 -0.04 0.00 0.66 0.00 0.00 57.16 58.67 2k2q n GLU 58 Cb 0.32 -5.63 -0.03 0.00 0.27 0.00 0.00 31.44 26.37 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 -3.46 -3.05 0.25 4.31 4.02 -0.81 -4.87 117.16 113.55 2k2q n TYR 59 Ca -0.10 1.76 0.13 0.00 -0.01 0.00 0.00 57.90 59.68 2k2q n TYR 59 Cb 0.62 -3.16 0.65 0.00 -0.02 0.00 0.00 39.34 37.44 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 2.74 0.00 0.00 -0.72 4.20 -1.78 -3.46 115.11 116.08 2k2q h GLN 60 Ca -0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.33 2k2q h GLN 60 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2k2q h GLN 60 CO 0.01 0.13 0.00 0.28 -0.67 0.00 0.00 178.83 178.58 2k2q n VAL 61 N -3.41 0.00 0.00 -0.54 0.31 -1.26 -2.91 118.33 110.52 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 0.31 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 -4.64 5.55 -0.58 -1.26 -5.07 120.64 114.65 2k2q n GLU 62 Ca 0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 2k2q n GLU 62 Cb 0.00 -0.61 -0.17 0.00 -0.57 0.00 0.00 31.44 30.09 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 -3.70 2.00 -1.29 -4.62 1.43 -1.15 -5.05 118.68 106.32 2k2q s LEU 63 Ca 0.00 -0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 52.36 2k2q s LEU 63 Cb 0.00 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.90 2k2q s LEU 63 CO 0.00 0.07 1.88 -0.81 0.23 0.00 0.00 176.35 177.71 2k2q n PRO 64 N 4.08 2.80 -2.38 1.29 -0.04 -1.26 -4.83 135.00 134.67 2k2q n PRO 64 Ca -0.20 -2.95 -0.37 0.00 -0.04 0.00 0.00 63.50 59.95 2k2q n PRO 64 Cb 0.51 -3.46 -0.04 0.00 -0.04 0.00 0.00 33.50 30.48 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 4.67 3.34 -0.11 1.53 2.96 -1.26 -4.53 118.68 125.27 2k2q s LEU 65 Ca 0.55 -0.93 -0.08 0.00 -0.22 0.00 0.00 54.13 53.45 2k2q s LEU 65 Cb 0.06 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 44.22 2k2q s LEU 65 CO 0.06 -1.96 0.16 1.17 -1.32 0.00 0.00 176.35 174.46 2k2q n LYS 66 N 8.99 -4.42 0.11 1.98 4.81 -1.26 -5.05 118.16 123.32 2k2q n LYS 66 Ca 0.29 3.32 0.00 0.00 -0.87 0.00 0.00 58.31 61.05 2k2q n LYS 66 Cb 0.50 -4.62 0.00 0.00 0.02 0.00 0.00 35.03 30.93 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 1.60 0.00 0.00 3.15 3.14 -1.26 -4.98 118.33 119.98 2k2q n VAL 67 Ca -0.27 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 2k2q n VAL 67 Cb 0.42 -0.05 0.00 0.00 -1.06 0.00 0.00 33.84 33.14 2k2q n VAL 67 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2k2q n LEU 68 N -2.99 0.00 -1.86 6.55 4.77 -1.26 -4.87 117.00 117.33 2k2q n LEU 68 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2k2q n LEU 68 Cb 0.00 0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2k2q n LEU 68 CO 0.00 -0.08 1.28 0.49 -1.33 0.00 0.00 177.39 177.75 2k2q n PHE 69 N -1.24 0.68 -2.12 -1.77 3.72 -1.26 -3.50 117.46 111.96 2k2q n PHE 69 Ca 0.00 -1.52 0.01 0.00 -0.05 0.00 0.00 57.45 55.89 2k2q n PHE 69 Cb 0.00 -0.99 0.00 0.00 -0.94 0.00 0.00 39.48 37.55 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 1.28 2.09 -2.88 4.37 0.00 -1.26 -4.12 120.51 119.99 2k2q n ALA 70 Ca 0.25 -1.32 -0.16 0.00 0.00 0.00 0.00 53.44 52.21 2k2q n ALA 70 Cb 0.62 -0.55 -0.15 0.00 0.00 0.00 0.00 19.45 19.37 2k2q n ALA 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2k2q s GLN 71 N 0.00 0.39 0.64 0.00 -0.44 -1.23 -4.62 119.66 114.41 2k2q s GLN 71 Ca 0.08 -0.15 0.36 0.00 -2.50 0.00 0.00 55.36 53.16 2k2q s GLN 71 Cb 0.09 -0.40 2.02 0.00 -1.64 0.00 0.00 33.01 33.09 2k2q s GLN 71 CO -0.04 0.07 2.21 -1.00 0.50 0.00 0.00 175.29 177.03 2k2q h PRO 72 N 6.18 0.00 -4.72 1.67 0.13 -1.96 -3.34 132.00 129.95 2k2q h PRO 72 Ca -0.29 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.17 2k2q h PRO 72 Cb 1.19 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.95 2k2q h PRO 72 CO 0.50 0.00 -0.71 0.99 -0.23 0.00 0.00 178.00 178.55 2k2q s THR 73 N -4.31 2.55 0.09 1.56 2.01 -1.26 -4.98 115.64 111.30 2k2q s THR 73 Ca -0.05 -1.92 -0.19 0.00 0.31 0.00 0.00 61.69 59.84 2k2q s THR 73 Cb 0.13 -2.68 -0.07 0.00 0.01 0.00 0.00 72.50 69.89 2k2q s THR 73 CO 0.43 -0.37 1.57 0.40 -0.69 0.00 0.00 174.62 175.97 2k2q h ILE 74 N 6.59 1.22 -0.25 1.82 2.04 -1.87 -2.85 117.51 124.20 2k2q h ILE 74 Ca -0.13 -0.74 0.07 0.00 1.00 0.00 0.00 64.86 65.06 2k2q h ILE 74 Cb 1.04 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2k2q h ILE 74 CO 0.54 0.24 0.18 0.07 0.00 0.00 0.00 178.15 179.18 2k2q h LYS 75 N 0.24 0.01 -0.02 2.37 5.09 -1.95 0.16 116.57 122.48 2k2q h LYS 75 Ca 0.08 -0.00 0.01 0.00 0.09 0.00 0.00 60.65 60.83 2k2q h LYS 75 Cb 0.31 -0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.64 2k2q h LYS 75 CO 0.00 0.01 0.03 0.00 -2.09 0.00 0.00 179.45 177.40 2k2q h ALA 76 N 1.87 1.52 0.00 0.07 0.00 -1.93 -1.66 119.26 119.13 2k2q h ALA 76 Ca 0.12 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2k2q h ALA 76 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2k2q h ALA 76 CO -0.00 -0.04 -1.47 1.28 0.00 0.00 0.00 179.25 179.01 2k2q n LEU 77 N -3.77 1.27 0.24 0.00 4.77 -0.47 -4.62 117.00 114.42 2k2q n LEU 77 Ca -0.02 -0.02 0.10 0.00 -0.03 0.00 0.00 56.01 56.03 2k2q n LEU 77 Cb 0.12 -0.03 0.63 0.00 -2.33 0.00 0.00 43.42 41.80 2k2q n LEU 77 CO 0.27 0.37 0.93 0.00 -1.33 0.00 0.00 177.39 177.62 2k2q h ALA 78 N 0.19 1.39 -0.48 -1.18 0.00 -0.59 0.57 119.26 119.16 2k2q h ALA 78 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k2q h ALA 78 Cb 1.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2k2q h ALA 78 CO -0.01 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2k2q n GLN 79 N -3.85 2.91 0.03 0.00 10.64 -0.64 -3.88 117.38 122.58 2k2q n GLN 79 Ca -0.02 -2.06 0.00 0.00 -1.83 0.00 0.00 57.00 53.09 2k2q n GLN 79 Cb 0.26 -1.69 0.00 0.00 -0.86 0.00 0.00 30.24 27.95 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 0.79 -0.45 -3.36 2.61 4.01 -0.61 -4.97 117.16 115.19 2k2q n TYR 80 Ca 0.19 0.08 -0.26 0.00 -0.16 0.00 0.00 57.90 57.74 2k2q n TYR 80 Cb 0.66 0.40 -0.08 0.00 -0.31 0.00 0.00 39.34 40.00 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 -2.82 1.42 1.90 -0.72 0.31 0.19 -5.11 118.33 113.50 2k2q n VAL 81 Ca 0.00 -4.85 0.15 0.00 -0.01 0.00 0.00 64.34 59.64 2k2q n VAL 81 Cb 0.09 -2.06 0.90 0.00 -0.91 0.00 0.00 33.84 31.87 2k2q n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51