#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 -0.03 0.48 -5.12 0.00 -1.26 -3.79 105.19 95.47 2k2q n GLY 2 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.46 0.00 -1.45 1.61 0.24 -1.26 -4.68 118.33 109.34 2k2q n VAL 3 Ca -0.10 -0.25 -0.33 0.00 -2.04 0.00 0.00 64.34 61.62 2k2q n VAL 3 Cb 0.58 0.98 0.08 0.00 -1.47 0.00 0.00 33.84 34.01 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 -2.39 2.95 -0.14 3.34 -4.23 -1.26 -4.72 115.64 109.18 2k2q s THR 4 Ca 0.23 0.39 -0.33 0.00 -1.18 0.00 0.00 61.69 60.81 2k2q s THR 4 Cb 0.19 -2.86 -0.10 0.00 1.34 0.00 0.00 72.50 71.07 2k2q s THR 4 CO 0.51 -0.32 2.01 -0.62 -0.54 0.00 0.00 174.62 175.66 2k2q n GLU 5 N -2.96 2.04 -2.74 3.99 4.71 -1.26 -4.60 120.64 119.82 2k2q n GLU 5 Ca 0.11 0.70 -0.40 0.00 -0.01 0.00 0.00 57.16 57.55 2k2q n GLU 5 Cb 0.52 -2.78 -0.05 0.00 -1.01 0.00 0.00 31.44 28.12 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 5.51 3.30 -1.59 0.62 0.00 0.53 -4.94 121.76 125.20 2k2q s ALA 6 Ca 0.97 0.60 0.31 0.00 0.00 0.00 0.00 51.96 53.84 2k2q s ALA 6 Cb -0.62 -3.24 1.61 0.00 0.00 0.00 0.00 23.12 20.87 2k2q s ALA 6 CO 0.47 0.11 2.09 1.04 0.00 0.00 0.00 175.76 179.47 2k2q n GLN 7 N 2.01 0.59 -3.72 0.00 1.13 -1.26 -4.56 117.38 111.57 2k2q n GLN 7 Ca -0.00 -0.02 -0.29 0.00 -1.94 0.00 0.00 57.00 54.75 2k2q n GLN 7 Cb 0.48 -1.50 -0.16 0.00 0.11 0.00 0.00 30.24 29.17 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 -2.42 1.30 -0.23 1.08 5.04 -1.26 -4.94 117.35 115.92 2k2q s TYR 8 Ca 0.34 -1.26 0.06 0.00 -2.44 0.00 0.00 57.07 53.77 2k2q s TYR 8 Cb 0.21 -1.32 -0.08 0.00 0.35 0.00 0.00 41.96 41.12 2k2q s TYR 8 CO 0.44 -0.75 0.24 1.55 -1.34 0.00 0.00 175.55 175.69 2k2q n VAL 9 N 4.97 0.00 -1.93 3.14 3.14 -1.26 -1.45 118.33 124.94 2k2q n VAL 9 Ca -0.06 -0.30 -0.42 0.00 -2.96 0.00 0.00 64.34 60.59 2k2q n VAL 9 Cb 0.44 0.85 -0.03 0.00 -1.06 0.00 0.00 33.84 34.04 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 -1.80 3.63 0.96 1.55 0.00 -1.26 -4.57 121.76 120.27 2k2q s ALA 10 Ca 0.01 1.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 2k2q s ALA 10 Cb 0.05 -3.75 0.09 0.00 0.00 0.00 0.00 23.12 19.51 2k2q s ALA 10 CO 0.26 -1.35 0.53 -0.35 0.00 0.00 0.00 175.76 174.85 2k2q n PRO 11 N 6.80 -0.46 0.10 0.00 -0.04 -1.26 -4.80 135.00 135.35 2k2q n PRO 11 Ca 0.17 -0.85 -0.22 0.00 -0.04 0.00 0.00 63.50 62.56 2k2q n PRO 11 Cb 0.42 -0.53 -0.15 0.00 -0.04 0.00 0.00 33.50 33.20 2k2q n PRO 11 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2k2q h THR 12 N -1.24 1.13 -3.93 0.52 2.02 -1.94 -3.47 112.91 105.99 2k2q h THR 12 Ca -0.17 -2.67 -0.22 0.00 0.77 0.00 0.00 66.41 64.12 2k2q h THR 12 Cb 0.48 2.87 -0.17 0.00 -1.74 0.00 0.00 68.15 69.59 2k2q h THR 12 CO 0.12 0.84 -0.70 0.21 0.37 0.00 0.00 175.52 176.36 2k2q s ASN 13 N -7.33 0.91 0.56 4.18 3.84 -1.26 -5.03 114.94 110.81 2k2q s ASN 13 Ca -0.11 -0.86 0.27 0.00 0.21 0.00 0.00 52.86 52.37 2k2q s ASN 13 Cb 0.05 0.10 1.66 0.00 -0.55 0.00 0.00 41.25 42.51 2k2q s ASN 13 CO 0.89 -0.41 2.20 0.00 -2.79 0.00 0.00 177.10 176.99 2k2q h ALA 14 N 3.49 1.56 -0.41 1.71 0.00 -2.01 -1.78 119.26 121.82 2k2q h ALA 14 Ca -0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2k2q h ALA 14 Cb 1.17 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2k2q h ALA 14 CO 0.57 0.03 0.14 0.28 0.00 0.00 0.00 179.25 180.28 2k2q h VAL 15 N 0.00 1.16 0.00 0.00 2.07 -2.01 -1.99 116.25 115.48 2k2q h VAL 15 Ca -0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2k2q h VAL 15 Cb 0.07 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2k2q h VAL 15 CO 0.00 0.20 -0.18 -0.62 0.02 0.00 0.00 177.57 177.00 2k2q n GLU 16 N -4.36 0.06 0.28 1.57 -0.58 -0.67 -3.55 120.64 113.39 2k2q n GLU 16 Ca 0.03 0.04 0.17 0.00 -0.42 0.00 0.00 57.16 56.98 2k2q n GLU 16 Cb 0.16 -1.56 0.79 0.00 -0.57 0.00 0.00 31.44 30.26 2k2q n GLU 16 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2k2q h SER 17 N 0.00 0.00 0.49 1.62 0.02 -1.33 -2.02 113.55 112.33 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 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2k2q h SER 17 CO 0.00 0.04 0.00 0.29 -1.14 0.00 0.00 176.83 176.02 2k2q n LYS 18 N -3.19 0.36 0.27 3.45 5.02 -1.23 -2.80 118.16 120.04 2k2q n LYS 18 Ca -0.01 0.04 0.17 0.00 -2.02 0.00 0.00 58.31 56.50 2k2q n LYS 18 Cb 0.26 -1.50 0.66 0.00 -0.02 0.00 0.00 35.03 34.42 2k2q n LYS 18 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2k2q h LEU 19 N 0.00 0.00 -1.09 -0.35 3.38 -1.61 -2.79 115.31 112.85 2k2q h LEU 19 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2k2q h LEU 19 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2k2q h LEU 19 CO 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 178.44 178.15 2k2q h ALA 20 N 2.00 1.24 0.00 1.53 0.00 -1.73 0.87 119.26 123.16 2k2q h ALA 20 Ca -0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 54.91 54.29 2k2q h ALA 20 Cb 0.54 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2k2q h ALA 20 CO 0.00 0.53 -1.32 1.05 0.00 0.00 0.00 179.25 179.51 2k2q h GLU 21 N 0.12 0.00 0.03 0.00 4.11 -1.72 0.52 114.58 117.64 2k2q h GLU 21 Ca 0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.35 2k2q h GLU 21 Cb 0.73 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 2k2q h GLU 21 CO 0.06 0.72 -0.49 0.82 0.07 0.00 0.00 179.01 180.19 2k2q h ILE 22 N 0.00 1.52 0.00 -1.06 2.04 -1.44 -3.39 117.51 115.17 2k2q h ILE 22 Ca -0.14 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.37 2k2q h ILE 22 Cb 1.86 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 41.02 2k2q h ILE 22 CO 0.10 0.57 -0.51 0.79 0.00 0.00 0.00 178.15 179.11 2k2q n TRP 23 N -4.45 0.12 0.08 1.37 7.02 0.29 -4.38 117.44 117.48 2k2q n TRP 23 Ca -0.16 0.05 -0.08 0.00 -1.02 0.00 0.00 57.50 56.29 2k2q n TRP 23 Cb 0.60 -0.34 -0.04 0.00 -2.42 0.00 0.00 31.31 29.11 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 -0.57 -0.37 0.00 -0.99 4.22 -1.51 0.46 114.58 115.82 2k2q h GLU 24 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2k2q h GLU 24 Cb 0.51 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2k2q h GLU 24 CO 0.00 -0.24 0.00 -2.13 -2.18 0.00 0.00 179.01 174.46 2k2q n ARG 25 N -3.75 0.04 0.06 1.92 3.00 0.18 0.10 116.66 118.22 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 0.19 -1.43 0.00 0.00 0.00 0.00 0.00 32.46 31.22 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 -0.93 0.49 0.79 5.15 0.31 -0.89 -4.85 118.33 118.41 2k2q n VAL 26 Ca 0.01 0.16 0.10 0.00 -0.01 0.00 0.00 64.34 64.60 2k2q n VAL 26 Cb 0.00 -1.15 -0.13 0.00 -0.91 0.00 0.00 33.84 31.66 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 -3.26 0.80 0.00 7.52 4.32 0.15 -4.80 117.00 121.74 2k2q n LEU 27 Ca 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 56.01 55.59 2k2q n LEU 27 Cb 0.11 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 2k2q n LEU 27 CO 0.00 0.20 0.00 0.61 -1.22 0.00 0.00 177.39 176.98 2k2q n GLY 28 N 1.45 -0.23 3.71 -0.72 0.00 -0.14 -4.97 105.19 104.30 2k2q n GLY 28 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.90 -2.09 0.00 1.61 0.31 0.28 -4.84 118.33 112.71 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 -3.01 0.00 0.00 -0.91 0.00 0.00 33.84 29.92 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 -2.78 2.27 -0.26 4.52 7.64 -1.26 -5.04 113.62 118.72 2k2q n SER 30 Ca 0.02 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2k2q n SER 30 Cb 0.54 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.60 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 1.54 0.87 3.95 0.23 0.00 -1.26 -4.08 105.19 106.43 2k2q n GLY 31 Ca 0.00 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.28 2.07 0.00 -0.61 -5.25 -1.26 -0.35 121.20 113.51 2k2q s ILE 32 Ca 0.00 -0.20 0.00 0.00 -0.99 0.00 0.00 60.65 59.46 2k2q s ILE 32 Cb 0.00 -2.86 0.00 0.00 2.95 0.00 0.00 42.46 42.55 2k2q s ILE 32 CO 0.00 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.76 2k2q n GLY 33 N -3.38 3.12 2.57 6.27 0.00 -1.26 -4.73 105.19 107.78 2k2q n GLY 33 Ca 0.14 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 4.93 -1.84 -0.61 2.08 -0.53 -4.30 119.36 119.10 2k2q n ILE 34 Ca 0.00 -4.51 0.05 0.00 0.56 0.00 0.00 62.75 58.85 2k2q n ILE 34 Cb 0.00 -1.75 0.08 0.00 -0.75 0.00 0.00 39.64 37.22 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 0.84 1.36 -0.66 1.39 4.77 -1.26 -4.96 117.00 118.47 2k2q n LEU 35 Ca 0.55 -2.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 2k2q n LEU 35 Cb 0.31 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2k2q n LEU 35 CO 0.55 0.66 -0.18 -0.67 -1.33 0.00 0.00 177.39 176.42 2k2q n ASP 36 N -0.42 -4.34 -0.50 -1.43 2.03 -1.26 -5.12 116.55 105.50 2k2q n ASP 36 Ca 0.09 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.90 2k2q n ASP 36 Cb 0.81 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 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 -0.61 0.00 0.30 1.67 6.94 -1.26 -4.88 115.26 117.42 2k2q n ASN 37 Ca 0.00 -0.50 0.16 0.00 -0.02 0.00 0.00 54.58 54.22 2k2q n ASN 37 Cb 0.00 0.00 0.94 0.00 -2.36 0.00 0.00 39.78 38.36 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 0.50 0.00 0.01 -2.53 -5.15 -1.83 -2.84 116.94 105.10 2k2q h PHE 38 Ca 0.00 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.62 2k2q h PHE 38 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.15 2k2q h PHE 38 CO 0.00 0.02 -0.79 0.35 -2.00 0.00 0.00 178.31 175.90 2k2q h PHE 39 N 0.00 0.03 0.00 6.09 3.57 -1.93 -3.06 116.94 121.64 2k2q h PHE 39 Ca -0.00 -0.03 -0.59 0.00 3.53 0.00 0.00 57.97 60.88 2k2q h PHE 39 Cb 0.08 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.83 2k2q h PHE 39 CO 0.00 1.31 2.99 1.04 -2.23 0.00 0.00 178.31 181.42 2k2q n GLN 40 N -4.46 2.55 0.00 1.11 6.02 -1.07 -2.61 117.38 118.91 2k2q n GLN 40 Ca -0.23 -2.00 0.00 0.00 -0.01 0.00 0.00 57.00 54.76 2k2q n GLN 40 Cb 0.62 -2.84 0.00 0.00 1.02 0.00 0.00 30.24 29.04 2k2q n GLN 40 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2k2q n ILE 41 N 4.66 0.00 0.00 5.09 0.13 -1.06 -4.20 119.36 123.98 2k2q n ILE 41 Ca 0.56 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.21 2k2q n ILE 41 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.08 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 -0.51 -0.10 3.49 4.50 0.00 -1.07 -4.21 105.19 107.29 2k2q n GLY 42 Ca 0.00 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2k2q n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2q n GLY 43 N 0.00 2.12 2.42 -0.02 0.00 -1.15 -4.83 105.19 103.73 2k2q n GLY 43 Ca 0.00 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 2k2q n GLY 43 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k2q n HIS 44 N 10.47 2.60 -2.18 1.61 1.44 -1.26 -4.92 115.22 122.98 2k2q n HIS 44 Ca 0.48 -3.01 -0.17 0.00 -2.01 0.00 0.00 57.72 53.01 2k2q n HIS 44 Cb 0.45 -2.32 0.10 0.00 0.12 0.00 0.00 29.99 28.35 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 3.38 0.61 -4.57 4.39 7.64 -1.26 -4.95 113.62 118.85 2k2q n SER 45 Ca 0.71 -1.61 -0.35 0.00 1.01 0.00 0.00 58.87 58.63 2k2q n SER 45 Cb 0.26 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.90 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 3.39 -0.06 -3.43 1.43 -1.26 -4.72 118.68 114.03 2k2q s LEU 46 Ca 0.47 -1.78 -0.15 0.00 -1.03 0.00 0.00 54.13 51.63 2k2q s LEU 46 Cb -0.02 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.65 2k2q s LEU 46 CO 0.32 -2.20 0.36 -0.75 0.23 0.00 0.00 176.35 174.31 2k2q s LYS 47 N 5.60 0.62 0.62 1.70 2.47 -1.26 -5.03 119.74 124.46 2k2q s LYS 47 Ca 0.61 0.10 0.33 0.00 -1.56 0.00 0.00 55.97 55.45 2k2q s LYS 47 Cb 0.00 0.28 1.89 0.00 -1.46 0.00 0.00 37.83 38.55 2k2q s LYS 47 CO 0.07 -0.15 2.19 0.00 0.16 0.00 0.00 175.35 177.63 2k2q h ALA 48 N 4.39 1.48 -0.24 3.13 0.00 -2.01 -0.44 119.26 125.58 2k2q h ALA 48 Ca -0.28 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2k2q h ALA 48 Cb 1.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2k2q h ALA 48 CO 0.35 -0.14 -0.02 1.98 0.00 0.00 0.00 179.25 181.42 2k2q h MET 49 N 0.00 0.37 -0.04 0.00 -1.53 -1.95 -1.71 114.93 110.06 2k2q h MET 49 Ca 0.03 -0.07 -0.13 0.00 -3.44 0.00 0.00 59.70 56.10 2k2q h MET 49 Cb 0.25 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.23 2k2q h MET 49 CO -0.00 0.41 -0.55 0.00 0.14 0.00 0.00 176.91 176.91 2k2q h ALA 50 N 1.63 0.99 0.01 0.39 0.00 -1.35 -2.10 119.26 118.83 2k2q h ALA 50 Ca 0.08 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2k2q h ALA 50 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2k2q h ALA 50 CO 0.01 0.69 -0.00 0.28 0.00 0.00 0.00 179.25 180.23 2k2q h VAL 51 N 0.10 1.15 -0.19 0.00 2.07 -1.35 -0.96 116.25 117.07 2k2q h VAL 51 Ca -0.00 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2k2q h VAL 51 Cb 1.01 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2k2q h VAL 51 CO 0.08 0.12 -0.03 0.00 0.02 0.00 0.00 177.57 177.76 2k2q h ALA 52 N 0.79 1.60 -0.19 1.67 0.00 -1.39 -1.43 119.26 120.31 2k2q h ALA 52 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2k2q h ALA 52 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2k2q h ALA 52 CO 0.00 0.29 -0.05 0.00 0.00 0.00 0.00 179.25 179.49 2k2q h ALA 53 N 1.70 0.27 -0.31 0.00 0.00 -1.05 0.19 119.26 120.06 2k2q h ALA 53 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2k2q h ALA 53 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2k2q h ALA 53 CO 0.01 0.05 -0.15 1.96 0.00 0.00 0.00 179.25 181.11 2k2q h GLN 54 N 0.09 0.55 0.19 0.00 1.08 -0.80 -1.02 115.11 115.21 2k2q h GLN 54 Ca 0.05 -0.17 -0.32 0.00 -1.45 0.00 0.00 58.65 56.76 2k2q h GLN 54 Cb 0.50 -0.05 0.02 0.00 -0.05 0.00 0.00 27.48 27.90 2k2q h GLN 54 CO 0.02 0.69 -1.47 0.28 -0.95 0.00 0.00 178.83 177.39 2k2q h VAL 55 N 0.50 1.26 -0.00 -0.54 2.07 -1.21 0.61 116.25 118.94 2k2q h VAL 55 Ca 0.09 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 64.82 2k2q h VAL 55 Cb 0.56 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 2k2q h VAL 55 CO 0.04 0.84 -0.21 1.57 0.02 0.00 0.00 177.57 179.82 2k2q n HIS 56 N -3.61 0.00 -0.02 1.57 -0.00 0.66 -3.36 115.22 110.46 2k2q n HIS 56 Ca -0.16 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.59 2k2q n HIS 56 Cb 1.07 -0.28 0.06 0.00 -0.00 0.00 0.00 29.99 30.85 2k2q n HIS 56 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2k2q n ARG 57 N -1.23 2.24 -3.49 1.57 3.00 -0.39 -5.02 116.66 113.34 2k2q n ARG 57 Ca 0.10 -1.57 -0.22 0.00 -0.00 0.00 0.00 57.85 56.15 2k2q n ARG 57 Cb 0.32 -1.13 0.04 0.00 0.00 0.00 0.00 32.46 31.69 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 0.07 -1.53 -2.50 -0.14 2.13 -1.11 -4.40 120.64 113.16 2k2q n GLU 58 Ca 0.05 0.72 -0.05 0.00 0.66 0.00 0.00 57.16 58.54 2k2q n GLU 58 Cb 0.29 -4.69 -0.04 0.00 0.27 0.00 0.00 31.44 27.27 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 -3.51 -4.16 0.15 4.31 4.02 0.19 -4.91 117.16 113.26 2k2q n TYR 59 Ca -0.09 2.42 0.02 0.00 -0.01 0.00 0.00 57.90 60.23 2k2q n TYR 59 Cb 0.59 -3.75 0.21 0.00 -0.02 0.00 0.00 39.34 36.38 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 3.75 0.00 0.00 -0.72 4.20 -1.80 -3.47 115.11 117.07 2k2q h GLN 60 Ca -0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.18 2k2q h GLN 60 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2k2q h GLN 60 CO 0.01 0.53 0.00 0.28 -0.67 0.00 0.00 178.83 178.98 2k2q n VAL 61 N -3.62 0.00 0.09 -0.54 0.31 -1.26 -3.59 118.33 109.71 2k2q n VAL 61 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k2q n VAL 61 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 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 -3.41 5.55 -0.58 -1.26 -5.07 120.64 115.87 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 -0.07 -0.09 0.00 -0.57 0.00 0.00 31.44 30.71 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 -6.37 4.06 -1.30 -4.62 1.43 -1.24 -5.00 118.68 105.64 2k2q s LEU 63 Ca 0.00 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.29 2k2q s LEU 63 Cb 0.00 -2.42 0.13 0.00 0.03 0.00 0.00 46.19 43.93 2k2q s LEU 63 CO 0.00 -0.15 1.83 -0.81 0.23 0.00 0.00 176.35 177.45 2k2q n PRO 64 N 5.11 3.34 -2.17 1.29 -0.04 -1.26 -4.84 135.00 136.42 2k2q n PRO 64 Ca -0.09 -3.37 -0.42 0.00 -0.04 0.00 0.00 63.50 59.57 2k2q n PRO 64 Cb 0.51 -3.11 -0.03 0.00 -0.04 0.00 0.00 33.50 30.83 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 1.38 3.51 -0.17 1.53 2.96 -1.26 -4.34 118.68 122.28 2k2q s LEU 65 Ca 0.44 0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 55.20 2k2q s LEU 65 Cb 0.07 -3.39 0.03 0.00 0.50 0.00 0.00 46.19 43.40 2k2q s LEU 65 CO -0.01 -1.67 0.18 1.17 -1.32 0.00 0.00 176.35 174.71 2k2q n LYS 66 N 8.39 -3.87 0.03 1.98 4.81 -1.26 -5.01 118.16 123.23 2k2q n LYS 66 Ca 0.19 2.98 0.00 0.00 -0.87 0.00 0.00 58.31 60.62 2k2q n LYS 66 Cb 0.48 -4.36 0.00 0.00 0.02 0.00 0.00 35.03 31.17 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 1.71 0.00 0.00 3.15 3.14 -1.26 -5.01 118.33 120.06 2k2q n VAL 67 Ca -0.30 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 2k2q n VAL 67 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 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 -2.61 0.00 0.23 6.55 0.00 -1.26 -5.02 117.00 114.90 2k2q n LEU 68 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 56.01 55.85 2k2q n LEU 68 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 2k2q n LEU 68 CO 0.00 0.00 0.52 -0.26 0.00 0.00 0.00 177.39 177.65 2k2q h PHE 69 N 0.00 -1.27 -0.89 1.96 0.04 -1.88 -2.77 116.94 112.13 2k2q h PHE 69 Ca 0.00 0.01 -0.45 0.00 2.80 0.00 0.00 57.97 60.33 2k2q h PHE 69 Cb 0.00 0.50 -0.16 0.00 2.20 0.00 0.00 35.95 38.49 2k2q h PHE 69 CO 0.00 -0.59 0.27 0.00 -0.60 0.00 0.00 178.31 177.40 2k2q n ALA 70 N -2.77 6.45 -3.34 2.45 0.00 -1.26 -2.57 120.51 119.47 2k2q n ALA 70 Ca -0.10 -2.85 -0.17 0.00 0.00 0.00 0.00 53.44 50.31 2k2q n ALA 70 Cb 0.40 -2.18 -0.16 0.00 0.00 0.00 0.00 19.45 17.52 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 -1.25 0.48 0.17 0.00 -1.52 -1.05 -4.62 119.66 111.87 2k2q s GLN 71 Ca 0.60 -0.07 0.10 0.00 -1.95 0.00 0.00 55.36 54.04 2k2q s GLN 71 Cb 0.37 -0.54 -0.12 0.00 -0.22 0.00 0.00 33.01 32.50 2k2q s GLN 71 CO -0.19 -0.03 1.32 -1.00 -0.25 0.00 0.00 175.29 175.14 2k2q h PRO 72 N 6.77 0.00 -4.86 2.91 0.13 -1.89 -3.43 132.00 131.64 2k2q h PRO 72 Ca -0.36 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.09 2k2q h PRO 72 Cb 1.16 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.95 2k2q h PRO 72 CO 0.49 0.82 -0.76 0.99 -0.23 0.00 0.00 178.00 179.30 2k2q s THR 73 N -2.79 2.56 -0.13 1.56 2.01 -1.26 -4.87 115.64 112.72 2k2q s THR 73 Ca 0.02 -1.38 -0.04 0.00 0.31 0.00 0.00 61.69 60.60 2k2q s THR 73 Cb 0.09 -2.42 -0.25 0.00 0.01 0.00 0.00 72.50 69.93 2k2q s THR 73 CO 0.80 0.04 0.33 -0.38 -0.69 0.00 0.00 174.62 174.72 2k2q n ILE 74 N 4.55 1.75 0.17 1.82 -0.00 -1.26 -4.12 119.36 122.27 2k2q n ILE 74 Ca -0.15 -0.66 0.07 0.00 -0.00 0.00 0.00 62.75 62.01 2k2q n ILE 74 Cb 0.44 -1.65 0.57 0.00 -0.00 0.00 0.00 39.64 39.00 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 0.06 0.18 0.00 0.38 5.09 -1.96 -0.39 116.57 119.93 2k2q h LYS 75 Ca -0.43 -0.01 -0.05 0.00 0.09 0.00 0.00 60.65 60.25 2k2q h LYS 75 Cb 2.02 -0.04 -0.01 0.00 0.10 0.00 0.00 32.23 34.31 2k2q h LYS 75 CO 0.07 0.12 -0.22 0.00 -2.09 0.00 0.00 179.45 177.33 2k2q h ALA 76 N 1.91 1.26 0.06 0.07 0.00 -2.00 -2.68 119.26 117.89 2k2q h ALA 76 Ca 0.05 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 2k2q h ALA 76 Cb -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2k2q h ALA 76 CO -0.01 0.28 -1.69 -0.07 0.00 0.00 0.00 179.25 177.76 2k2q h LEU 77 N 0.00 0.21 -0.48 0.00 3.38 -1.28 -3.34 115.31 113.79 2k2q h LEU 77 Ca -0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2k2q h LEU 77 Cb 0.53 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2k2q h LEU 77 CO 0.03 1.34 0.00 0.00 0.09 0.00 0.00 178.44 179.89 2k2q n ALA 78 N -2.68 2.27 -0.69 1.53 0.00 -0.59 0.19 120.51 120.54 2k2q n ALA 78 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2k2q n ALA 78 Cb 1.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.21 0.33 0.11 0.00 10.64 -1.18 -4.77 117.38 122.30 2k2q n GLN 79 Ca 0.00 -0.49 0.00 0.00 -1.83 0.00 0.00 57.00 54.68 2k2q n GLN 79 Cb 0.10 -0.66 0.00 0.00 -0.86 0.00 0.00 30.24 28.82 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 -0.08 -2.24 0.09 2.61 4.01 -1.00 -4.95 117.16 115.58 2k2q n TYR 80 Ca 0.00 0.48 -0.22 0.00 -0.16 0.00 0.00 57.90 58.00 2k2q n TYR 80 Cb 0.30 1.04 -0.14 0.00 -0.31 0.00 0.00 39.34 40.23 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 1.37 -0.01 -0.72 2.07 -1.51 -3.51 116.25 113.94 2k2q h VAL 81 Ca 0.00 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.00 2k2q h VAL 81 Cb 0.00 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2k2q h VAL 81 CO 0.00 0.74 0.00 0.00 0.02 0.00 0.00 177.57 178.33