#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 -0.11 0.92 -5.12 0.00 -1.26 -3.45 105.19 96.17 2k2q n GLY 2 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.40 0.11 -1.43 1.61 0.24 -1.26 -4.63 118.33 109.58 2k2q n VAL 3 Ca -0.16 -0.51 -0.29 0.00 -2.04 0.00 0.00 64.34 61.34 2k2q n VAL 3 Cb 0.60 1.22 0.13 0.00 -1.47 0.00 0.00 33.84 34.32 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 -1.89 2.31 -0.35 3.34 -4.23 -1.26 -4.67 115.64 108.89 2k2q s THR 4 Ca 0.32 0.10 -0.27 0.00 -1.18 0.00 0.00 61.69 60.65 2k2q s THR 4 Cb 0.21 -2.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.23 2k2q s THR 4 CO 0.31 -0.13 2.16 -1.61 -0.54 0.00 0.00 174.62 174.80 2k2q s GLU 5 N -5.15 2.84 0.26 3.99 8.01 -1.26 -4.41 118.70 122.99 2k2q s GLU 5 Ca 0.63 1.62 -0.29 0.00 0.01 0.00 0.00 54.97 56.94 2k2q s GLU 5 Cb -0.16 -4.40 -0.09 0.00 -4.31 0.00 0.00 34.13 25.17 2k2q s GLU 5 CO 0.55 -2.44 1.20 0.00 0.01 0.00 0.00 175.26 174.58 2k2q s ALA 6 N 9.19 3.45 -2.01 5.21 0.00 0.72 -4.90 121.76 133.42 2k2q s ALA 6 Ca 0.93 1.04 0.08 0.00 0.00 0.00 0.00 51.96 54.01 2k2q s ALA 6 Cb -0.25 -3.41 0.48 0.00 0.00 0.00 0.00 23.12 19.95 2k2q s ALA 6 CO 0.31 -0.39 1.31 1.04 0.00 0.00 0.00 175.76 178.04 2k2q n GLN 7 N 1.53 1.04 -3.77 0.00 1.13 -1.26 -4.30 117.38 111.75 2k2q n GLN 7 Ca 0.01 -0.06 -0.28 0.00 -1.94 0.00 0.00 57.00 54.73 2k2q n GLN 7 Cb 0.44 -1.14 -0.12 0.00 0.11 0.00 0.00 30.24 29.53 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 -1.98 2.67 -0.09 1.08 6.14 -1.26 -4.87 117.35 119.05 2k2q s TYR 8 Ca 0.13 -2.91 0.18 0.00 0.64 0.00 0.00 57.07 55.11 2k2q s TYR 8 Cb 0.06 -2.20 -0.27 0.00 0.42 0.00 0.00 41.96 39.98 2k2q s TYR 8 CO 0.10 -0.68 0.28 1.55 0.64 0.00 0.00 175.55 177.44 2k2q n VAL 9 N 2.67 0.48 -2.41 3.14 3.14 -1.26 -1.42 118.33 122.67 2k2q n VAL 9 Ca 0.17 -0.56 -0.43 0.00 -2.96 0.00 0.00 64.34 60.56 2k2q n VAL 9 Cb 0.37 -0.17 -0.02 0.00 -1.06 0.00 0.00 33.84 32.96 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 -2.98 3.43 1.00 1.55 0.00 -1.26 -4.75 121.76 118.75 2k2q s ALA 10 Ca -0.08 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2k2q s ALA 10 Cb 0.10 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2k2q s ALA 10 CO 0.77 -1.63 0.00 -2.30 0.00 0.00 0.00 175.76 172.60 2k2q n PRO 11 N 7.16 -0.01 -0.07 0.00 -0.02 -1.26 -4.92 135.00 135.87 2k2q n PRO 11 Ca 0.15 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.41 2k2q n PRO 11 Cb 0.46 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.82 2k2q n PRO 11 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2k2q n THR 12 N -1.73 1.63 -4.43 3.45 -2.24 -1.26 -4.98 114.28 104.71 2k2q n THR 12 Ca 0.00 -0.52 -0.24 0.00 -2.27 0.00 0.00 64.05 61.01 2k2q n THR 12 Cb 0.00 -1.68 -0.11 0.00 -2.10 0.00 0.00 70.33 66.44 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 -6.89 3.38 0.33 3.42 3.84 -1.26 -5.04 114.94 112.72 2k2q s ASN 13 Ca -0.29 -0.96 0.01 0.00 0.21 0.00 0.00 52.86 51.83 2k2q s ASN 13 Cb 0.08 -0.26 0.56 0.00 -0.55 0.00 0.00 41.25 41.08 2k2q s ASN 13 CO 0.66 0.05 1.97 0.00 -2.79 0.00 0.00 177.10 176.98 2k2q h ALA 14 N 2.69 1.46 -0.36 1.71 0.00 -2.01 -2.34 119.26 120.41 2k2q h ALA 14 Ca -0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2k2q h ALA 14 Cb 1.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2k2q h ALA 14 CO 0.55 0.47 0.18 0.28 0.00 0.00 0.00 179.25 180.73 2k2q h VAL 15 N 0.88 1.12 0.00 0.00 2.07 -2.02 -0.90 116.25 117.41 2k2q h VAL 15 Ca 0.23 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2k2q h VAL 15 Cb -0.02 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2k2q h VAL 15 CO -0.04 0.14 0.00 -0.08 0.02 0.00 0.00 177.57 177.61 2k2q h GLU 16 N 0.50 0.00 0.00 1.57 4.22 -1.83 -2.95 114.58 116.09 2k2q h GLU 16 Ca 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.54 2k2q h GLU 16 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2k2q h GLU 16 CO -0.02 0.00 -0.16 0.77 -2.18 0.00 0.00 179.01 177.42 2k2q h SER 17 N 0.00 0.00 0.81 1.04 0.02 -1.09 -2.23 113.55 112.09 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 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2k2q h SER 17 CO 0.00 0.16 -0.26 1.17 -1.14 0.00 0.00 176.83 176.76 2k2q n LYS 18 N -3.31 0.04 0.05 3.45 4.81 -1.11 -3.58 118.16 118.49 2k2q n LYS 18 Ca 0.00 0.02 0.01 0.00 -0.87 0.00 0.00 58.31 57.47 2k2q n LYS 18 Cb 0.39 -1.53 0.33 0.00 0.02 0.00 0.00 35.03 34.24 2k2q n LYS 18 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2k2q h LEU 19 N 0.00 0.39 -0.28 3.14 5.85 -1.53 -1.31 115.31 121.57 2k2q h LEU 19 Ca 0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2k2q h LEU 19 Cb 0.53 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2k2q h LEU 19 CO 0.00 0.50 0.00 0.00 -0.34 0.00 0.00 178.44 178.60 2k2q n ALA 20 N -2.48 1.81 0.01 1.25 0.00 -1.23 -2.01 120.51 117.84 2k2q n ALA 20 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.47 2k2q n ALA 20 Cb 0.26 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 2k2q n ALA 20 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k2q n GLU 21 N -1.88 0.64 0.04 0.00 2.13 -0.52 0.16 120.64 121.21 2k2q n GLU 21 Ca 0.04 0.07 -0.20 0.00 0.66 0.00 0.00 57.16 57.73 2k2q n GLU 21 Cb 0.24 -1.69 -0.14 0.00 0.27 0.00 0.00 31.44 30.12 2k2q n GLU 21 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2k2q h ILE 22 N 0.00 0.89 0.00 6.31 2.04 -1.19 -3.40 117.51 122.16 2k2q h ILE 22 Ca -0.17 -2.55 -0.02 0.00 1.00 0.00 0.00 64.86 63.11 2k2q h ILE 22 Cb 1.49 2.65 -0.00 0.00 -0.74 0.00 0.00 36.82 40.22 2k2q h ILE 22 CO 0.03 0.83 -0.62 0.79 0.00 0.00 0.00 178.15 179.18 2k2q n TRP 23 N -3.47 0.00 0.41 1.37 5.03 -0.85 -4.61 117.44 115.32 2k2q n TRP 23 Ca -0.24 0.00 -0.20 0.00 3.03 0.00 0.00 57.50 60.09 2k2q n TRP 23 Cb 1.06 -0.27 -0.10 0.00 -1.03 0.00 0.00 31.31 30.97 2k2q n TRP 23 CO 0.00 0.00 0.00 1.49 -0.03 0.00 0.00 177.69 179.15 2k2q h GLU 24 N -0.49 -1.14 -0.07 -0.99 4.57 -1.68 0.17 114.58 114.96 2k2q h GLU 24 Ca -0.04 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2k2q h GLU 24 Cb 0.57 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2k2q h GLU 24 CO -0.02 -0.76 0.00 -2.13 -1.18 0.00 0.00 179.01 174.92 2k2q n ARG 25 N -5.62 0.38 0.06 1.92 0.63 0.12 0.69 116.66 114.84 2k2q n ARG 25 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 2k2q n ARG 25 Cb 0.50 -1.03 0.00 0.00 0.45 0.00 0.00 32.46 32.37 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 -0.36 0.70 -0.13 5.15 0.31 -0.85 -4.89 118.33 118.26 2k2q n VAL 26 Ca 0.00 0.23 -0.18 0.00 -0.01 0.00 0.00 64.34 64.38 2k2q n VAL 26 Cb 0.02 -1.30 -0.12 0.00 -0.91 0.00 0.00 33.84 31.53 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 -3.34 2.98 0.00 7.52 4.32 0.54 -4.82 117.00 124.19 2k2q n LEU 27 Ca 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 2k2q n LEU 27 Cb 0.09 -0.91 0.00 0.00 -1.62 0.00 0.00 43.42 40.98 2k2q n LEU 27 CO 0.00 0.94 0.00 0.61 -1.22 0.00 0.00 177.39 177.72 2k2q n GLY 28 N 2.26 0.81 3.70 -0.72 0.00 -0.86 -4.96 105.19 105.42 2k2q n GLY 28 Ca -0.46 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.12 -4.17 0.00 1.61 0.31 0.22 -4.88 118.33 110.29 2k2q n VAL 29 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2k2q n VAL 29 Cb 0.00 -3.77 0.00 0.00 -0.91 0.00 0.00 33.84 29.16 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 4.70 0.00 4.52 7.64 -1.26 -5.02 113.62 121.17 2k2q n SER 30 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.65 2k2q n SER 30 Cb 0.65 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.75 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 2.39 1.73 3.95 0.23 0.00 -1.26 -4.09 105.19 108.14 2k2q n GLY 31 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.22 0.00 -0.61 -4.36 -1.26 -0.20 121.20 115.99 2k2q s ILE 32 Ca 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 60.65 59.92 2k2q s ILE 32 Cb 0.00 -3.23 0.00 0.00 1.25 0.00 0.00 42.46 40.48 2k2q s ILE 32 CO 0.00 -0.18 0.00 0.61 0.24 0.00 0.00 174.94 175.61 2k2q n GLY 33 N -2.35 3.71 2.86 6.27 0.00 -1.26 -4.85 105.19 109.57 2k2q n GLY 33 Ca 0.05 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 3.89 -2.01 -0.61 2.08 -0.51 -4.17 119.36 118.02 2k2q n ILE 34 Ca 0.00 -3.72 -0.00 0.00 0.56 0.00 0.00 62.75 59.59 2k2q n ILE 34 Cb 0.00 -2.48 -0.00 0.00 -0.75 0.00 0.00 39.64 36.41 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 5.26 0.01 -0.96 1.39 4.77 -1.26 -4.87 117.00 121.34 2k2q n LEU 35 Ca 0.46 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 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 0.85 0.56 -0.27 -0.67 -1.33 0.00 0.00 177.39 176.53 2k2q n ASP 36 N 0.01 -5.62 -0.36 -1.43 2.03 -1.26 -5.12 116.55 104.80 2k2q n ASP 36 Ca -0.00 0.74 0.00 0.00 0.52 0.00 0.00 54.79 56.05 2k2q n ASP 36 Cb 0.64 -2.44 0.00 0.00 -0.72 0.00 0.00 41.12 38.60 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 -0.78 0.00 0.16 1.67 0.23 -1.16 -4.91 115.26 110.47 2k2q n ASN 37 Ca 0.00 -0.36 0.02 0.00 -0.53 0.00 0.00 54.58 53.70 2k2q n ASN 37 Cb 0.00 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.05 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 0.36 0.09 0.05 -2.53 -0.00 -1.81 -3.25 116.94 109.85 2k2q h PHE 38 Ca 0.00 -0.02 -0.33 0.00 -0.00 0.00 0.00 57.97 57.62 2k2q h PHE 38 Cb 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 35.95 35.89 2k2q h PHE 38 CO 0.00 0.41 -1.85 0.34 -0.00 0.00 0.00 178.31 177.21 2k2q n PHE 39 N -4.12 0.86 -2.01 6.09 -0.00 -1.26 -4.52 117.46 112.49 2k2q n PHE 39 Ca -0.02 0.27 -0.42 0.00 -0.00 0.00 0.00 57.45 57.28 2k2q n PHE 39 Cb 0.39 -1.10 -0.01 0.00 -0.00 0.00 0.00 39.48 38.76 2k2q n PHE 39 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 2k2q n GLN 40 N -3.92 2.84 0.00 -4.13 7.27 -1.23 -1.52 117.38 116.69 2k2q n GLN 40 Ca -0.37 -2.79 0.00 0.00 0.07 0.00 0.00 57.00 53.92 2k2q n GLN 40 Cb 0.88 -3.36 0.00 0.00 2.41 0.00 0.00 30.24 30.17 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 5.73 0.00 -2.32 1.69 0.13 -1.22 -2.99 119.36 120.38 2k2q n ILE 41 Ca 0.50 0.00 -0.01 0.00 -1.10 0.00 0.00 62.75 62.14 2k2q n ILE 41 Cb 0.42 0.00 0.02 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 -0.34 -0.06 3.55 4.50 0.00 -1.15 -4.63 105.19 107.06 2k2q n GLY 42 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.35 -0.22 0.24 -0.02 0.00 -0.57 -4.79 107.32 101.60 2k2q s GLY 43 Ca 0.02 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 44.30 2k2q s GLY 43 CO -0.03 3.86 1.67 0.45 0.00 0.00 0.00 173.10 179.05 2k2q h HIS 44 N 16.58 0.76 -0.79 1.90 3.86 -1.94 -3.48 115.15 132.04 2k2q h HIS 44 Ca -0.19 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2k2q h HIS 44 Cb 1.18 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.46 2k2q h HIS 44 CO 1.03 0.83 0.00 0.43 0.86 0.00 0.00 177.93 181.08 2k2q n SER 45 N -4.13 -2.36 0.00 2.45 7.64 -1.26 -4.67 113.62 111.29 2k2q n SER 45 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2k2q n SER 45 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.00 0.00 -4.93 -3.43 4.32 -1.26 -5.00 117.00 106.70 2k2q n LEU 46 Ca 0.00 -0.17 -0.25 0.00 -0.02 0.00 0.00 56.01 55.57 2k2q n LEU 46 Cb 0.00 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 2k2q n LEU 46 CO 0.00 0.21 0.23 -0.54 -1.22 0.00 0.00 177.39 176.07 2k2q s LYS 47 N 0.00 3.50 0.30 3.23 -0.14 -1.26 -4.95 119.74 120.42 2k2q s LYS 47 Ca 0.00 -0.20 0.05 0.00 -1.36 0.00 0.00 55.97 54.46 2k2q s LYS 47 Cb 0.00 -2.60 0.71 0.00 -1.68 0.00 0.00 37.83 34.26 2k2q s LYS 47 CO 0.00 0.08 1.79 0.00 -0.76 0.00 0.00 175.35 176.46 2k2q h ALA 48 N 0.69 1.65 -0.26 5.17 0.00 -1.99 -0.42 119.26 124.10 2k2q h ALA 48 Ca -0.49 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2k2q h ALA 48 Cb 1.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2k2q h ALA 48 CO 0.62 0.01 0.06 1.98 0.00 0.00 0.00 179.25 181.91 2k2q h MET 49 N 0.81 0.37 0.04 0.00 -1.53 -1.99 -0.18 114.93 112.45 2k2q h MET 49 Ca 0.56 -0.05 -0.27 0.00 -3.44 0.00 0.00 59.70 56.50 2k2q h MET 49 Cb 0.81 -0.07 0.02 0.00 -0.55 0.00 0.00 31.60 31.81 2k2q h MET 49 CO -0.35 0.35 -1.09 0.00 0.14 0.00 0.00 176.91 175.96 2k2q h ALA 50 N 1.71 0.08 -0.00 0.39 0.00 -1.41 -3.17 119.26 116.85 2k2q h ALA 50 Ca 0.09 -0.72 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 2k2q h ALA 50 Cb 0.15 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k2q h ALA 50 CO -0.00 0.67 -0.37 0.28 0.00 0.00 0.00 179.25 179.82 2k2q h VAL 51 N 0.33 1.27 -0.58 0.00 2.07 -1.01 -2.32 116.25 116.00 2k2q h VAL 51 Ca -0.15 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.10 2k2q h VAL 51 Cb 1.75 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 33.18 2k2q h VAL 51 CO 0.21 0.37 0.39 0.00 0.02 0.00 0.00 177.57 178.56 2k2q h ALA 52 N 1.62 1.61 -0.41 1.67 0.00 -1.01 -0.07 119.26 122.67 2k2q h ALA 52 Ca -0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2k2q h ALA 52 Cb 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2k2q h ALA 52 CO 0.05 0.35 -0.18 0.00 0.00 0.00 0.00 179.25 179.46 2k2q h ALA 53 N 1.64 0.57 -0.87 0.00 0.00 -1.43 0.65 119.26 119.82 2k2q h ALA 53 Ca 0.22 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k2q h ALA 53 Cb -0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2k2q h ALA 53 CO -0.05 0.52 0.58 1.96 0.00 0.00 0.00 179.25 182.25 2k2q h GLN 54 N 0.65 1.14 -0.08 0.00 1.08 -1.09 0.14 115.11 116.96 2k2q h GLN 54 Ca 0.09 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2k2q h GLN 54 Cb 0.74 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2k2q h GLN 54 CO 0.06 0.76 -0.16 0.28 -0.95 0.00 0.00 178.83 178.81 2k2q h VAL 55 N 1.18 1.40 0.00 -0.54 2.07 -0.87 0.58 116.25 120.07 2k2q h VAL 55 Ca 0.32 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.33 2k2q h VAL 55 Cb -0.13 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2k2q h VAL 55 CO -0.07 0.41 -0.24 0.45 0.02 0.00 0.00 177.57 178.14 2k2q h HIS 56 N -0.21 0.00 -0.28 1.57 3.86 -0.66 -1.79 115.15 117.64 2k2q h HIS 56 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2k2q h HIS 56 Cb 0.75 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 2k2q h HIS 56 CO 0.11 0.24 0.00 -2.13 0.86 0.00 0.00 177.93 177.01 2k2q n ARG 57 N -3.91 2.19 -3.22 2.45 3.00 0.02 -4.97 116.66 112.23 2k2q n ARG 57 Ca -0.02 -1.79 -0.13 0.00 -0.00 0.00 0.00 57.85 55.91 2k2q n ARG 57 Cb 0.32 -1.46 0.06 0.00 0.00 0.00 0.00 32.46 31.38 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 1.02 -2.11 -2.48 -0.14 2.13 -0.67 -4.57 120.64 113.82 2k2q n GLU 58 Ca 0.18 0.96 -0.05 0.00 0.66 0.00 0.00 57.16 58.91 2k2q n GLU 58 Cb 0.50 -5.82 -0.04 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 -3.01 -4.07 0.03 4.31 4.01 0.20 -4.98 117.16 113.65 2k2q n TYR 59 Ca -0.06 2.37 -0.22 0.00 -0.16 0.00 0.00 57.90 59.83 2k2q n TYR 59 Cb 0.60 -3.70 -0.14 0.00 -0.31 0.00 0.00 39.34 35.79 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 3.67 0.29 0.00 -0.72 4.20 -1.81 -3.48 115.11 117.26 2k2q h GLN 60 Ca -0.52 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 57.70 2k2q h GLN 60 Cb 1.17 0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2k2q h GLN 60 CO 0.01 1.23 0.00 0.28 -0.67 0.00 0.00 178.83 179.68 2k2q n VAL 61 N -3.91 0.00 0.00 -0.54 0.31 -1.26 -4.19 118.33 108.74 2k2q n VAL 61 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2k2q n VAL 61 Cb 0.92 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.85 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 -3.67 5.55 -0.58 -1.26 -4.99 120.64 115.69 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 -0.03 -0.09 0.00 -0.57 0.00 0.00 31.44 30.75 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 -0.88 4.13 -1.40 -4.62 1.02 -1.26 -4.98 118.68 110.70 2k2q s LEU 63 Ca 0.00 0.14 -0.07 0.00 0.02 0.00 0.00 54.13 54.22 2k2q s LEU 63 Cb 0.00 -2.11 0.07 0.00 0.02 0.00 0.00 46.19 44.17 2k2q s LEU 63 CO 0.00 0.09 2.52 -0.81 0.02 0.00 0.00 176.35 178.17 2k2q n PRO 64 N 4.14 4.37 -2.42 1.29 -0.04 -1.26 -4.87 135.00 136.20 2k2q n PRO 64 Ca -0.15 -3.16 -0.41 0.00 -0.04 0.00 0.00 63.50 59.74 2k2q n PRO 64 Cb 0.52 -2.68 -0.03 0.00 -0.04 0.00 0.00 33.50 31.27 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 -1.55 4.44 -0.73 1.53 2.96 -1.26 -3.99 118.68 120.08 2k2q s LEU 65 Ca 0.58 2.14 -0.02 0.00 -0.22 0.00 0.00 54.13 56.61 2k2q s LEU 65 Cb 0.18 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.28 2k2q s LEU 65 CO -0.09 -0.36 0.68 1.17 -1.32 0.00 0.00 176.35 176.43 2k2q n LYS 66 N 2.86 -1.44 0.00 1.98 0.00 -1.26 -4.90 118.16 115.40 2k2q n LYS 66 Ca 0.05 1.44 0.00 0.00 0.00 0.00 0.00 58.31 59.80 2k2q n LYS 66 Cb 0.45 -5.21 0.00 0.00 0.00 0.00 0.00 35.03 30.27 2k2q n LYS 66 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2k2q n VAL 67 N -1.77 0.00 0.01 3.15 3.14 -1.26 -5.01 118.33 116.59 2k2q n VAL 67 Ca -0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2k2q n VAL 67 Cb 0.53 0.00 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 -1.87 -0.17 -1.51 6.55 7.94 -1.26 -4.93 117.00 121.76 2k2q n LEU 68 Ca 0.00 0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2k2q n LEU 68 Cb 0.00 0.41 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2k2q n LEU 68 CO 0.00 -0.23 0.86 0.49 -1.11 0.00 0.00 177.39 177.40 2k2q n PHE 69 N -2.11 0.00 -2.01 1.96 3.72 -1.26 -2.81 117.46 114.95 2k2q n PHE 69 Ca 0.00 -0.86 -0.02 0.00 -0.05 0.00 0.00 57.45 56.53 2k2q n PHE 69 Cb 0.00 -0.45 -0.02 0.00 -0.94 0.00 0.00 39.48 38.07 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 1.47 2.47 -3.56 4.37 0.00 -1.26 -3.37 120.51 120.64 2k2q n ALA 70 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 2k2q n ALA 70 Cb 0.45 -0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 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 0.29 0.54 0.00 0.74 -1.12 -4.44 119.66 115.67 2k2q s GLN 71 Ca 0.01 0.56 0.33 0.00 0.05 0.00 0.00 55.36 56.30 2k2q s GLN 71 Cb 0.01 -0.01 1.32 0.00 1.10 0.00 0.00 33.01 35.42 2k2q s GLN 71 CO -0.00 -0.13 1.97 -1.00 -0.55 0.00 0.00 175.29 175.58 2k2q h PRO 72 N 6.73 0.00 -3.82 1.67 0.13 -1.99 -3.38 132.00 131.34 2k2q h PRO 72 Ca -0.35 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.00 2k2q h PRO 72 Cb 1.17 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.03 2k2q h PRO 72 CO 0.34 0.02 0.04 0.95 -0.23 0.00 0.00 178.00 179.11 2k2q s THR 73 N -3.66 5.42 0.14 1.56 -4.23 -1.26 -4.85 115.64 108.75 2k2q s THR 73 Ca 0.01 -2.48 -0.08 0.00 -1.18 0.00 0.00 61.69 57.96 2k2q s THR 73 Cb 0.09 -4.36 -0.11 0.00 1.34 0.00 0.00 72.50 69.46 2k2q s THR 73 CO 0.55 -1.01 1.39 0.40 -0.54 0.00 0.00 174.62 175.42 2k2q h ILE 74 N 4.87 1.31 -0.08 2.99 5.03 -1.92 -3.06 117.51 126.64 2k2q h ILE 74 Ca 0.08 -1.94 -0.03 0.00 -0.12 0.00 0.00 64.86 62.85 2k2q h ILE 74 Cb 1.03 1.91 -0.01 0.00 -3.03 0.00 0.00 36.82 36.72 2k2q h ILE 74 CO 0.76 0.61 -0.09 0.07 -0.68 0.00 0.00 178.15 178.82 2k2q h LYS 75 N 0.48 0.12 -0.49 2.37 5.09 -1.95 -0.89 116.57 121.30 2k2q h LYS 75 Ca -0.02 -0.02 -0.05 0.00 0.09 0.00 0.00 60.65 60.65 2k2q h LYS 75 Cb 1.28 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 33.56 2k2q h LYS 75 CO 0.13 0.22 0.09 0.00 -2.09 0.00 0.00 179.45 177.80 2k2q h ALA 76 N 1.80 1.24 0.03 0.07 0.00 -1.95 -1.80 119.26 118.66 2k2q h ALA 76 Ca 0.03 -0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.48 2k2q h ALA 76 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2k2q h ALA 76 CO 0.01 0.52 -1.23 -0.07 0.00 0.00 0.00 179.25 178.48 2k2q h LEU 77 N 0.73 0.11 -0.83 0.00 3.38 -1.41 -3.26 115.31 114.03 2k2q h LEU 77 Ca 0.16 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k2q h LEU 77 Cb 0.31 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2k2q h LEU 77 CO 0.00 1.11 0.00 0.00 0.09 0.00 0.00 178.44 179.64 2k2q h ALA 78 N 0.88 1.00 -0.27 1.53 0.00 -0.77 0.41 119.26 122.03 2k2q h ALA 78 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k2q h ALA 78 Cb 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2k2q h ALA 78 CO 0.13 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2k2q n GLN 79 N -2.50 2.12 0.00 0.00 10.64 -0.71 -4.47 117.38 122.46 2k2q n GLN 79 Ca 0.02 -1.98 0.00 0.00 -1.83 0.00 0.00 57.00 53.22 2k2q n GLN 79 Cb 0.28 -1.40 0.00 0.00 -0.86 0.00 0.00 30.24 28.26 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 1.12 -0.06 -0.90 2.61 4.01 -1.01 -4.86 117.16 118.07 2k2q n TYR 80 Ca 0.15 0.01 -0.18 0.00 -0.16 0.00 0.00 57.90 57.71 2k2q n TYR 80 Cb 0.50 0.46 0.05 0.00 -0.31 0.00 0.00 39.34 40.04 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 -2.56 2.84 -1.92 -0.72 0.31 0.14 -5.09 118.33 111.32 2k2q n VAL 81 Ca 0.00 -1.76 0.00 0.00 -0.01 0.00 0.00 64.34 62.57 2k2q n VAL 81 Cb 0.04 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 2k2q n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51