#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 0.47 0.56 -5.12 0.00 -1.26 -3.13 105.19 96.71 2k2q n GLY 2 Ca 0.00 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.65 0.00 -1.44 1.61 0.24 -1.26 -4.63 118.33 111.20 2k2q n VAL 3 Ca -0.02 -0.46 -0.30 0.00 -2.04 0.00 0.00 64.34 61.52 2k2q n VAL 3 Cb 0.51 1.29 0.10 0.00 -1.47 0.00 0.00 33.84 34.27 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 -1.45 3.06 -0.66 3.34 -4.23 -1.26 -4.89 115.64 109.54 2k2q s THR 4 Ca 0.17 0.34 -0.26 0.00 -1.18 0.00 0.00 61.69 60.76 2k2q s THR 4 Cb 0.13 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.93 2k2q s THR 4 CO 0.25 -0.45 1.93 -1.61 -0.54 0.00 0.00 174.62 174.20 2k2q s GLU 5 N -5.07 2.55 0.35 3.99 8.01 -1.26 -4.81 118.70 122.45 2k2q s GLU 5 Ca 0.61 0.49 -0.28 0.00 0.01 0.00 0.00 54.97 55.80 2k2q s GLU 5 Cb -0.15 -4.55 -0.11 0.00 -4.31 0.00 0.00 34.13 25.01 2k2q s GLU 5 CO 0.55 -2.95 1.46 0.00 0.01 0.00 0.00 175.26 174.34 2k2q s ALA 6 N 9.66 3.58 -2.05 5.21 0.00 -1.21 -4.91 121.76 132.05 2k2q s ALA 6 Ca 0.71 1.51 0.27 0.00 0.00 0.00 0.00 51.96 54.44 2k2q s ALA 6 Cb -0.12 -3.59 0.77 0.00 0.00 0.00 0.00 23.12 20.19 2k2q s ALA 6 CO 0.16 -0.96 1.58 1.04 0.00 0.00 0.00 175.76 177.58 2k2q n GLN 7 N 0.79 1.17 -3.78 0.00 1.13 -1.26 -4.64 117.38 110.79 2k2q n GLN 7 Ca 0.02 -0.73 -0.30 0.00 -1.94 0.00 0.00 57.00 54.05 2k2q n GLN 7 Cb 0.40 -1.48 -0.15 0.00 0.11 0.00 0.00 30.24 29.11 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 -2.33 2.05 -0.17 1.08 5.04 -1.26 -4.91 117.35 116.85 2k2q s TYR 8 Ca 0.28 -1.98 0.07 0.00 -2.44 0.00 0.00 57.07 53.01 2k2q s TYR 8 Cb 0.20 -1.92 -0.10 0.00 0.35 0.00 0.00 41.96 40.49 2k2q s TYR 8 CO 0.46 -0.88 0.23 1.55 -1.34 0.00 0.00 175.55 175.57 2k2q n VAL 9 N 4.67 0.00 -1.79 3.14 3.14 -1.26 -4.27 118.33 121.96 2k2q n VAL 9 Ca -0.00 -0.24 -0.42 0.00 -2.96 0.00 0.00 64.34 60.71 2k2q n VAL 9 Cb 0.42 0.64 -0.03 0.00 -1.06 0.00 0.00 33.84 33.81 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 -2.13 3.46 1.00 1.55 0.00 -1.26 -4.41 121.76 119.97 2k2q s ALA 10 Ca -0.00 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2k2q s ALA 10 Cb 0.05 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2k2q s ALA 10 CO 0.31 -1.70 0.00 -0.35 0.00 0.00 0.00 175.76 174.01 2k2q n PRO 11 N 7.59 0.54 -0.04 0.00 -0.04 -1.26 -4.76 135.00 137.03 2k2q n PRO 11 Ca 0.20 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 2k2q n PRO 11 Cb 0.42 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.75 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 -0.46 0.92 -2.76 0.52 2.02 -1.94 -3.48 112.91 107.72 2k2q h THR 12 Ca 0.00 -2.29 -0.48 0.00 0.77 0.00 0.00 66.41 64.41 2k2q h THR 12 Cb 0.00 2.49 -0.14 0.00 -1.74 0.00 0.00 68.15 68.76 2k2q h THR 12 CO 0.00 0.59 -0.74 0.21 0.37 0.00 0.00 175.52 175.95 2k2q s ASN 13 N -6.93 2.77 0.42 4.18 3.84 -1.26 -5.04 114.94 112.91 2k2q s ASN 13 Ca -0.24 -1.02 0.10 0.00 0.21 0.00 0.00 52.86 51.92 2k2q s ASN 13 Cb 0.05 -0.17 0.89 0.00 -0.55 0.00 0.00 41.25 41.47 2k2q s ASN 13 CO 0.69 -0.13 1.98 0.00 -2.79 0.00 0.00 177.10 176.86 2k2q h ALA 14 N 2.52 1.63 -0.12 1.71 0.00 -2.01 -2.09 119.26 120.90 2k2q h ALA 14 Ca -0.38 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2k2q h ALA 14 Cb 1.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2k2q h ALA 14 CO 0.61 0.27 -0.01 0.28 0.00 0.00 0.00 179.25 180.41 2k2q h VAL 15 N 0.23 1.09 0.00 0.00 2.07 -2.01 -0.90 116.25 116.73 2k2q h VAL 15 Ca 0.05 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2k2q h VAL 15 Cb 0.24 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2k2q h VAL 15 CO 0.01 0.11 -0.20 1.21 0.02 0.00 0.00 177.57 178.73 2k2q n GLU 16 N -4.42 0.13 0.17 1.57 0.00 -0.80 -3.48 120.64 113.82 2k2q n GLU 16 Ca -0.01 0.08 0.03 0.00 0.00 0.00 0.00 57.16 57.26 2k2q n GLU 16 Cb 0.16 -1.63 0.30 0.00 0.00 0.00 0.00 31.44 30.27 2k2q n GLU 16 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2k2q h SER 17 N 0.00 0.00 0.88 4.31 0.02 -1.06 -2.57 113.55 115.13 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 0.45 0.00 0.11 -1.14 0.00 0.00 176.83 176.25 2k2q h LYS 18 N 0.00 0.00 -0.63 3.45 1.57 -1.62 -2.83 116.57 116.50 2k2q h LYS 18 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2k2q h LYS 18 Cb 0.87 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 2k2q h LYS 18 CO 0.06 0.00 0.25 1.25 -0.57 0.00 0.00 179.45 180.44 2k2q h LEU 19 N 0.00 0.87 0.00 2.94 5.85 -1.66 -1.19 115.31 122.13 2k2q h LEU 19 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2k2q h LEU 19 Cb 0.44 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2k2q h LEU 19 CO 0.00 0.81 -0.13 0.00 -0.34 0.00 0.00 178.44 178.78 2k2q h ALA 20 N 1.10 0.92 0.06 1.25 0.00 -1.66 -2.37 119.26 118.56 2k2q h ALA 20 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 2k2q h ALA 20 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k2q h ALA 20 CO -0.02 0.00 -1.08 1.49 0.00 0.00 0.00 179.25 179.64 2k2q h GLU 21 N 0.00 0.43 0.00 0.00 4.81 -1.22 -3.37 114.58 115.23 2k2q h GLU 21 Ca 0.00 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2k2q h GLU 21 Cb 0.80 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2k2q h GLU 21 CO 0.00 1.20 0.00 -0.89 -0.73 0.00 0.00 179.01 178.59 2k2q n ILE 22 N -3.71 0.00 -0.17 2.32 5.41 -0.52 -4.54 119.36 118.15 2k2q n ILE 22 Ca -0.09 0.25 -0.02 0.00 1.00 0.00 0.00 62.75 63.90 2k2q n ILE 22 Cb 0.91 -1.21 0.07 0.00 -0.71 0.00 0.00 39.64 38.71 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 0.00 0.15 -0.93 1.39 4.06 -1.64 -1.75 115.95 117.23 2k2q h TRP 23 Ca 0.00 0.03 0.08 0.00 2.06 0.00 0.00 58.89 61.06 2k2q h TRP 23 Cb 0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 29.16 28.11 2k2q h TRP 23 CO 0.00 -0.02 0.60 1.49 -3.56 0.00 0.00 178.44 176.95 2k2q h GLU 24 N 0.23 0.99 0.00 0.49 4.57 -1.66 -0.20 114.58 119.00 2k2q h GLU 24 Ca 0.26 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2k2q h GLU 24 Cb 0.36 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2k2q h GLU 24 CO -0.35 0.66 0.00 0.54 -1.18 0.00 0.00 179.01 178.68 2k2q n ARG 25 N -4.51 0.06 -0.00 1.92 1.74 -0.67 -0.27 116.66 114.93 2k2q n ARG 25 Ca 0.15 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2k2q n ARG 25 Cb 0.23 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2k2q n ARG 25 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k2q n VAL 26 N -1.45 0.42 0.00 1.55 0.31 -0.20 -4.83 118.33 114.13 2k2q n VAL 26 Ca 0.05 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 2k2q n VAL 26 Cb 0.18 0.79 0.00 0.00 -0.91 0.00 0.00 33.84 33.90 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 -0.19 0.00 -0.04 7.52 7.94 -0.53 -5.01 117.00 126.70 2k2q n LEU 27 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 2k2q n LEU 27 Cb 0.11 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.99 2k2q n LEU 27 CO 0.00 0.00 0.24 1.23 -1.11 0.00 0.00 177.39 177.75 2k2q h GLY 28 N 0.00 -0.04 -6.25 -3.96 0.00 -1.70 -3.48 103.07 87.65 2k2q h GLY 28 Ca 0.00 0.01 -0.46 0.00 0.00 0.00 0.00 47.33 46.89 2k2q h GLY 28 CO 0.00 -0.01 -0.81 -0.62 0.00 0.00 0.00 176.54 175.10 2k2q n VAL 29 N -4.73 -3.13 0.00 4.60 0.31 0.62 -4.86 118.33 111.14 2k2q n VAL 29 Ca -0.06 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2k2q n VAL 29 Cb 0.26 -3.18 -0.00 0.00 -0.91 0.00 0.00 33.84 30.01 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 -2.94 4.26 -0.24 4.52 7.64 -1.26 -5.03 113.62 120.57 2k2q n SER 30 Ca -0.14 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.68 2k2q n SER 30 Cb 0.61 1.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.83 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 2.28 0.81 3.74 0.23 0.00 -1.26 -4.43 105.19 106.56 2k2q n GLY 31 Ca -0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.13 3.15 0.00 -0.61 -5.25 -1.26 -3.35 121.20 111.74 2k2q s ILE 32 Ca 0.00 -1.68 0.00 0.00 -0.99 0.00 0.00 60.65 57.98 2k2q s ILE 32 Cb 0.00 -2.99 0.00 0.00 2.95 0.00 0.00 42.46 42.42 2k2q s ILE 32 CO 0.00 -0.21 0.00 0.61 -1.79 0.00 0.00 174.94 173.55 2k2q n GLY 33 N -1.14 3.02 2.67 6.27 0.00 -1.26 -4.94 105.19 109.82 2k2q n GLY 33 Ca -0.03 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 3.47 -0.72 -0.61 2.08 -1.26 -3.95 119.36 118.37 2k2q n ILE 34 Ca 0.00 -2.79 0.00 0.00 0.56 0.00 0.00 62.75 60.52 2k2q n ILE 34 Cb 0.00 -2.58 0.00 0.00 -0.75 0.00 0.00 39.64 36.31 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 5.68 0.32 -1.70 1.39 4.77 -1.26 -4.96 117.00 121.24 2k2q n LEU 35 Ca 0.57 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2k2q n LEU 35 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2k2q n LEU 35 CO 0.90 0.08 -0.32 -0.67 -1.33 0.00 0.00 177.39 176.05 2k2q n ASP 36 N -0.02 -6.79 -0.42 -1.43 2.03 -1.25 -5.12 116.55 103.54 2k2q n ASP 36 Ca 0.00 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.37 2k2q n ASP 36 Cb 0.22 -3.73 0.00 0.00 -0.72 0.00 0.00 41.12 36.88 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 1.24 0.00 0.25 1.67 6.94 -1.26 -4.96 115.26 119.14 2k2q n ASN 37 Ca 0.00 -0.42 0.17 0.00 -0.02 0.00 0.00 54.58 54.31 2k2q n ASN 37 Cb 0.00 0.00 0.86 0.00 -2.36 0.00 0.00 39.78 38.28 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 0.42 0.00 0.01 -2.53 -0.00 -1.80 -2.64 116.94 110.40 2k2q h PHE 38 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.94 2k2q h PHE 38 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2k2q h PHE 38 CO 0.00 0.00 -0.11 0.35 -0.00 0.00 0.00 178.31 178.55 2k2q h PHE 39 N 0.00 0.10 -3.51 6.09 3.57 -1.91 -3.40 116.94 117.89 2k2q h PHE 39 Ca 0.00 -0.06 -0.73 0.00 3.53 0.00 0.00 57.97 60.71 2k2q h PHE 39 Cb 0.10 -0.01 -0.33 0.00 2.79 0.00 0.00 35.95 38.50 2k2q h PHE 39 CO 0.00 0.90 -0.08 -0.65 -2.23 0.00 0.00 178.31 176.25 2k2q s GLN 40 N -2.90 3.23 0.00 1.11 -1.52 -0.99 -4.66 119.66 113.93 2k2q s GLN 40 Ca -0.17 -2.90 0.00 0.00 -1.95 0.00 0.00 55.36 50.33 2k2q s GLN 40 Cb -0.01 -4.05 0.00 0.00 -0.22 0.00 0.00 33.01 28.74 2k2q s GLN 40 CO 0.71 -1.24 0.00 1.51 -0.25 0.00 0.00 175.29 176.02 2k2q n ILE 41 N 3.01 0.00 0.00 1.08 0.13 -1.25 -4.04 119.36 118.29 2k2q n ILE 41 Ca 0.16 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.81 2k2q n ILE 41 Cb 0.39 -0.06 0.00 0.00 -0.84 0.00 0.00 39.64 39.13 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 1.76 3.39 0.00 4.50 0.00 -1.26 -4.84 105.19 108.74 2k2q n GLY 42 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.17 3.00 0.18 -0.02 0.00 -1.26 -4.86 105.19 101.06 2k2q n GLY 43 Ca 0.00 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 44.17 2k2q n GLY 43 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2k2q h HIS 44 N 0.00 0.00 0.00 1.61 2.07 -1.94 -3.46 115.15 113.43 2k2q h HIS 44 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2k2q h HIS 44 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2k2q h HIS 44 CO 0.00 0.36 0.00 0.43 -3.07 0.00 0.00 177.93 175.65 2k2q n SER 45 N -3.33 0.00 -2.74 3.10 7.64 -1.26 -4.29 113.62 112.74 2k2q n SER 45 Ca 0.01 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.86 2k2q n SER 45 Cb 0.58 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.82 2k2q n SER 45 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k2q n LEU 46 N 0.00 1.94 -4.10 -3.43 7.94 -1.26 -5.08 117.00 113.01 2k2q n LEU 46 Ca 0.00 -3.27 -0.12 0.00 -1.11 0.00 0.00 56.01 51.51 2k2q n LEU 46 Cb 0.00 0.38 -0.11 0.00 0.53 0.00 0.00 43.42 44.22 2k2q n LEU 46 CO 0.00 1.19 -0.40 -0.54 -1.11 0.00 0.00 177.39 176.54 2k2q s LYS 47 N -3.73 0.63 0.49 1.96 -0.14 -1.26 -5.03 119.74 112.66 2k2q s LYS 47 Ca 0.30 -0.96 0.32 0.00 -1.36 0.00 0.00 55.97 54.27 2k2q s LYS 47 Cb 0.34 -0.25 1.39 0.00 -1.68 0.00 0.00 37.83 37.63 2k2q s LYS 47 CO -0.03 0.02 1.95 0.00 -0.76 0.00 0.00 175.35 176.54 2k2q h ALA 48 N 3.97 1.00 -0.35 5.17 0.00 -1.98 -2.67 119.26 124.40 2k2q h ALA 48 Ca -0.36 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2k2q h ALA 48 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2k2q h ALA 48 CO 0.49 0.00 0.13 1.98 0.00 0.00 0.00 179.25 181.85 2k2q h MET 49 N 0.00 0.49 0.00 0.00 -1.53 -1.95 -1.83 114.93 110.11 2k2q h MET 49 Ca 0.00 -0.06 -0.16 0.00 -3.44 0.00 0.00 59.70 56.04 2k2q h MET 49 Cb 0.40 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.34 2k2q h MET 49 CO 0.00 0.42 -0.76 0.00 0.14 0.00 0.00 176.91 176.71 2k2q h ALA 50 N 1.66 0.59 -0.53 0.39 0.00 -1.75 -3.18 119.26 116.44 2k2q h ALA 50 Ca 0.12 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 2k2q h ALA 50 Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k2q h ALA 50 CO -0.01 0.95 0.08 0.28 0.00 0.00 0.00 179.25 180.54 2k2q h VAL 51 N 0.00 1.24 -0.34 0.00 2.07 -1.40 -1.62 116.25 116.20 2k2q h VAL 51 Ca -0.01 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2k2q h VAL 51 Cb 1.49 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2k2q h VAL 51 CO 0.10 0.33 0.22 0.00 0.02 0.00 0.00 177.57 178.24 2k2q h ALA 52 N 1.29 1.74 0.04 1.67 0.00 -1.46 -0.98 119.26 121.57 2k2q h ALA 52 Ca 0.17 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 2k2q h ALA 52 Cb 0.37 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.04 2k2q h ALA 52 CO 0.01 0.23 -1.10 0.00 0.00 0.00 0.00 179.25 178.39 2k2q h ALA 53 N 1.78 0.12 -0.74 0.00 0.00 -1.47 -2.30 119.26 116.65 2k2q h ALA 53 Ca 0.12 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2k2q h ALA 53 Cb -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2k2q h ALA 53 CO -0.03 0.72 0.43 1.96 0.00 0.00 0.00 179.25 182.33 2k2q h GLN 54 N 0.32 1.02 0.00 0.00 1.08 -0.47 -0.80 115.11 116.25 2k2q h GLN 54 Ca -0.14 -0.10 -0.15 0.00 -1.45 0.00 0.00 58.65 56.81 2k2q h GLN 54 Cb 1.76 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.96 2k2q h GLN 54 CO 0.21 0.73 -0.71 0.28 -0.95 0.00 0.00 178.83 178.39 2k2q h VAL 55 N 1.03 1.27 -0.25 -0.54 2.07 -1.24 -0.39 116.25 118.20 2k2q h VAL 55 Ca 0.27 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2k2q h VAL 55 Cb -0.01 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2k2q h VAL 55 CO -0.05 0.69 0.00 1.41 0.02 0.00 0.00 177.57 179.65 2k2q n HIS 56 N -3.35 0.32 -0.49 1.57 8.25 -0.85 -3.90 115.22 116.76 2k2q n HIS 56 Ca 0.01 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2k2q n HIS 56 Cb 0.79 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.90 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 0.82 1.61 -3.40 -0.41 3.00 -0.36 -5.03 116.66 112.88 2k2q n ARG 57 Ca 0.17 -1.08 -0.20 0.00 -0.00 0.00 0.00 57.85 56.75 2k2q n ARG 57 Cb 0.45 -0.78 0.06 0.00 0.00 0.00 0.00 32.46 32.19 2k2q n ARG 57 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2k2q n GLU 58 N -0.29 -2.26 -2.14 -0.14 1.02 -1.13 -4.50 120.64 111.19 2k2q n GLU 58 Ca 0.00 0.74 -0.03 0.00 -0.02 0.00 0.00 57.16 57.85 2k2q n GLU 58 Cb 0.37 -5.32 -0.02 0.00 -0.02 0.00 0.00 31.44 26.45 2k2q n GLU 58 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2k2q n TYR 59 N -3.59 -3.05 0.13 -0.32 4.02 -0.17 -4.92 117.16 109.26 2k2q n TYR 59 Ca -0.10 1.78 -0.01 0.00 -0.01 0.00 0.00 57.90 59.57 2k2q n TYR 59 Cb 0.62 -3.14 0.09 0.00 -0.02 0.00 0.00 39.34 36.88 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 -1.79 -3.47 115.11 116.07 2k2q h GLN 60 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2k2q h GLN 60 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2k2q h GLN 60 CO 0.00 0.66 0.00 0.28 -0.67 0.00 0.00 178.83 179.10 2k2q n VAL 61 N -3.48 0.00 0.02 -0.54 0.31 -1.26 -3.74 118.33 109.64 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 0.71 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 -4.15 5.55 -0.58 -1.26 -4.97 120.64 115.23 2k2q n GLU 62 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 2k2q n GLU 62 Cb 0.00 -0.13 -0.08 0.00 -0.57 0.00 0.00 31.44 30.66 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 -5.66 3.73 -0.93 -4.62 1.43 -1.25 -4.43 118.68 106.95 2k2q s LEU 63 Ca 0.00 0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.95 2k2q s LEU 63 Cb 0.00 -2.23 0.12 0.00 0.03 0.00 0.00 46.19 44.11 2k2q s LEU 63 CO 0.00 0.25 1.16 -2.16 0.23 0.00 0.00 176.35 175.83 2k2q s PRO 64 N -1.84 3.58 -1.06 1.29 0.04 -1.26 -4.78 135.00 130.97 2k2q s PRO 64 Ca 0.23 -1.66 -0.22 0.00 0.04 0.00 0.00 61.00 59.39 2k2q s PRO 64 Cb -0.12 -4.94 0.06 0.00 0.04 0.00 0.00 34.50 29.53 2k2q s PRO 64 CO 0.15 -1.82 1.49 -1.17 0.04 0.00 0.00 177.00 175.68 2k2q s LEU 65 N 2.99 3.60 -0.02 -3.56 2.96 -1.26 -4.61 118.68 118.77 2k2q s LEU 65 Ca 0.34 -1.63 -0.02 0.00 -0.22 0.00 0.00 54.13 52.59 2k2q s LEU 65 Cb -0.05 -2.57 0.01 0.00 0.50 0.00 0.00 46.19 44.09 2k2q s LEU 65 CO -0.09 -1.44 0.05 0.29 -1.32 0.00 0.00 176.35 173.84 2k2q n LYS 66 N 8.74 -4.40 0.00 1.98 5.02 -1.26 -5.02 118.16 123.21 2k2q n LYS 66 Ca 0.35 3.28 0.00 0.00 -2.02 0.00 0.00 58.31 59.93 2k2q n LYS 66 Cb 0.50 -4.25 0.00 0.00 -0.02 0.00 0.00 35.03 31.26 2k2q n LYS 66 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2k2q n VAL 67 N 1.56 0.00 0.07 -0.18 3.14 -1.26 -5.00 118.33 116.66 2k2q n VAL 67 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 2k2q n VAL 67 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 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 -1.07 -1.27 -1.28 6.55 0.00 -1.26 -4.95 117.00 113.72 2k2q n LEU 68 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 56.01 56.37 2k2q n LEU 68 Cb 0.00 1.42 0.00 0.00 0.00 0.00 0.00 43.42 44.84 2k2q n LEU 68 CO 0.00 -0.07 0.68 0.49 0.00 0.00 0.00 177.39 178.49 2k2q n PHE 69 N -2.76 0.00 -1.57 1.96 3.72 -1.26 -2.13 117.46 115.41 2k2q n PHE 69 Ca 0.00 -0.68 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 2k2q n PHE 69 Cb 0.00 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 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 1.06 0.57 -3.15 4.37 0.00 -1.26 -4.24 120.51 117.87 2k2q n ALA 70 Ca 0.00 -0.12 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 2k2q n ALA 70 Cb 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.74 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 3.18 0.08 0.00 -1.52 -0.91 -4.97 119.66 115.53 2k2q s GLN 71 Ca 0.00 -0.80 0.23 0.00 -1.95 0.00 0.00 55.36 52.84 2k2q s GLN 71 Cb 0.00 -2.44 0.93 0.00 -0.22 0.00 0.00 33.01 31.28 2k2q s GLN 71 CO 0.00 0.20 1.72 -0.35 -0.25 0.00 0.00 175.29 176.61 2k2q n PRO 72 N 3.51 0.08 -4.01 2.91 -0.04 -1.26 -4.57 135.00 131.61 2k2q n PRO 72 Ca -0.19 0.19 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2k2q n PRO 72 Cb 0.53 -1.62 -0.15 0.00 -0.04 0.00 0.00 33.50 32.22 2k2q n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k2q s THR 73 N -3.07 1.87 0.13 0.52 -4.23 -1.26 -4.89 115.64 104.71 2k2q s THR 73 Ca 0.10 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 2k2q s THR 73 Cb 0.13 -2.04 -0.20 0.00 1.34 0.00 0.00 72.50 71.73 2k2q s THR 73 CO 0.44 -0.04 1.30 0.40 -0.54 0.00 0.00 174.62 176.17 2k2q h ILE 74 N 6.69 1.54 0.00 2.99 5.03 -1.95 -3.16 117.51 128.66 2k2q h ILE 74 Ca -0.20 -2.89 -0.03 0.00 -0.12 0.00 0.00 64.86 61.63 2k2q h ILE 74 Cb 1.06 2.66 -0.00 0.00 -3.03 0.00 0.00 36.82 37.51 2k2q h ILE 74 CO 0.44 0.84 -0.12 0.07 -0.68 0.00 0.00 178.15 178.70 2k2q h LYS 75 N 0.08 0.00 -0.52 2.37 5.09 -1.94 -1.49 116.57 120.15 2k2q h LYS 75 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.57 2k2q h LYS 75 Cb 1.68 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.99 2k2q h LYS 75 CO 0.15 0.12 -0.11 0.00 -2.09 0.00 0.00 179.45 177.52 2k2q h ALA 76 N 1.88 0.72 0.00 0.07 0.00 -1.97 -2.71 119.26 117.24 2k2q h ALA 76 Ca -0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 2k2q h ALA 76 Cb 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2k2q h ALA 76 CO 0.02 0.63 -0.61 -0.07 0.00 0.00 0.00 179.25 179.21 2k2q h LEU 77 N 0.86 0.00 -0.09 0.00 3.38 -1.48 -3.03 115.31 114.95 2k2q h LEU 77 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2k2q h LEU 77 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2k2q h LEU 77 CO 0.05 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.19 2k2q n ALA 78 N -2.34 1.72 -0.30 1.53 0.00 -0.63 -0.68 120.51 119.81 2k2q n ALA 78 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.42 2k2q n ALA 78 Cb 0.68 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.60 2.45 0.10 0.00 10.64 -1.12 -4.50 117.38 123.35 2k2q n GLN 79 Ca 0.04 -1.66 0.00 0.00 -1.83 0.00 0.00 57.00 53.55 2k2q n GLN 79 Cb 0.19 -1.07 0.00 0.00 -0.86 0.00 0.00 30.24 28.51 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 -0.66 -1.88 0.16 2.61 4.01 -1.02 -4.88 117.16 115.51 2k2q n TYR 80 Ca 0.03 0.35 0.06 0.00 -0.16 0.00 0.00 57.90 58.17 2k2q n TYR 80 Cb 0.35 0.64 0.07 0.00 -0.31 0.00 0.00 39.34 40.09 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 0.57 0.00 -0.72 2.07 -1.14 -3.51 116.25 113.53 2k2q h VAL 81 Ca 0.00 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.71 2k2q h VAL 81 Cb 0.00 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2k2q h VAL 81 CO 0.00 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.92