#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 -0.80 1.58 -5.12 0.00 -1.26 -4.90 105.19 94.70 2k2q n GLY 2 Ca 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.22 2.05 -2.08 1.61 0.24 -1.26 -4.91 118.33 110.76 2k2q n VAL 3 Ca -0.11 -0.98 -0.29 0.00 -2.04 0.00 0.00 64.34 60.92 2k2q n VAL 3 Cb 0.62 -0.64 0.03 0.00 -1.47 0.00 0.00 33.84 32.37 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 -1.82 3.92 -0.51 3.34 -4.23 -1.26 -4.63 115.64 110.45 2k2q s THR 4 Ca 0.31 0.42 -0.26 0.00 -1.18 0.00 0.00 61.69 60.97 2k2q s THR 4 Cb 0.25 -3.59 -0.07 0.00 1.34 0.00 0.00 72.50 70.43 2k2q s THR 4 CO 0.07 -0.72 2.38 -1.61 -0.54 0.00 0.00 174.62 174.20 2k2q s GLU 5 N -5.17 2.10 0.21 3.99 8.01 -1.22 -4.57 118.70 122.05 2k2q s GLU 5 Ca 0.55 1.33 -0.31 0.00 0.01 0.00 0.00 54.97 56.56 2k2q s GLU 5 Cb -0.11 -4.58 -0.10 0.00 -4.31 0.00 0.00 34.13 25.02 2k2q s GLU 5 CO 0.50 -3.30 1.55 0.00 0.01 0.00 0.00 175.26 174.02 2k2q s ALA 6 N 12.17 3.75 0.15 5.21 0.00 0.52 -4.91 121.76 138.65 2k2q s ALA 6 Ca 0.96 1.40 -0.09 0.00 0.00 0.00 0.00 51.96 54.22 2k2q s ALA 6 Cb -0.17 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.34 2k2q s ALA 6 CO 0.25 -0.80 1.48 1.96 0.00 0.00 0.00 175.76 178.65 2k2q h GLN 7 N 6.09 0.87 -2.71 0.00 1.08 -1.90 -3.25 115.11 115.29 2k2q h GLN 7 Ca -0.44 -0.47 -0.71 0.00 -1.45 0.00 0.00 58.65 55.58 2k2q h GLN 7 Cb 1.21 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 28.59 2k2q h GLN 7 CO 0.87 1.11 2.78 0.98 -0.95 0.00 0.00 178.83 183.62 2k2q n TYR 8 N -4.04 2.48 1.07 2.96 9.36 -1.26 -4.45 117.16 123.28 2k2q n TYR 8 Ca -0.02 -2.87 0.12 0.00 3.32 0.00 0.00 57.90 58.44 2k2q n TYR 8 Cb 0.56 -2.03 0.14 0.00 -0.63 0.00 0.00 39.34 37.38 2k2q n TYR 8 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 2k2q n VAL 9 N 2.28 0.00 -1.67 2.97 3.14 -1.23 -4.57 118.33 119.25 2k2q n VAL 9 Ca 0.67 -0.10 -0.43 0.00 -2.96 0.00 0.00 64.34 61.52 2k2q n VAL 9 Cb 0.26 0.72 -0.03 0.00 -1.06 0.00 0.00 33.84 33.72 2k2q n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k2q n ALA 10 N -0.88 1.66 -1.77 1.55 0.00 -1.26 -4.82 120.51 114.98 2k2q n ALA 10 Ca 0.08 0.26 -0.36 0.00 0.00 0.00 0.00 53.44 53.43 2k2q n ALA 10 Cb 0.37 -2.62 0.01 0.00 0.00 0.00 0.00 19.45 17.21 2k2q n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k2q s PRO 11 N 3.76 3.30 -0.03 0.00 0.04 -1.26 -4.92 135.00 135.89 2k2q s PRO 11 Ca 0.87 1.69 -0.00 0.00 0.04 0.00 0.00 61.00 63.60 2k2q s PRO 11 Cb -0.50 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.01 2k2q s PRO 11 CO 0.42 -0.91 0.04 1.15 0.04 0.00 0.00 177.00 177.74 2k2q h THR 12 N 1.20 0.00 -6.31 1.26 2.02 -1.93 -3.48 112.91 105.67 2k2q h THR 12 Ca -0.50 -0.31 -0.53 0.00 0.77 0.00 0.00 66.41 65.84 2k2q h THR 12 Cb 1.27 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2k2q h THR 12 CO 0.57 0.00 -0.16 -3.20 0.37 0.00 0.00 175.52 173.10 2k2q n ASN 13 N -2.89 2.41 0.23 4.18 2.85 -1.26 -5.02 115.26 115.76 2k2q n ASN 13 Ca -0.00 -2.71 0.10 0.00 -0.11 0.00 0.00 54.58 51.86 2k2q n ASN 13 Cb 0.01 -0.27 0.49 0.00 1.24 0.00 0.00 39.78 41.25 2k2q n ASN 13 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2q h ALA 14 N 0.35 1.05 -0.09 5.20 0.00 -2.00 -2.93 119.26 120.84 2k2q h ALA 14 Ca -0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2k2q h ALA 14 Cb 1.28 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2k2q h ALA 14 CO 0.46 0.26 -0.00 0.28 0.00 0.00 0.00 179.25 180.25 2k2q h VAL 15 N 0.00 1.26 0.00 0.00 2.07 -2.00 -2.65 116.25 114.93 2k2q h VAL 15 Ca -0.00 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 2k2q h VAL 15 Cb 0.70 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2k2q h VAL 15 CO 0.03 0.23 -0.15 -0.33 0.02 0.00 0.00 177.57 177.37 2k2q h GLU 16 N -0.12 0.00 -0.61 1.57 4.39 -1.94 -0.09 114.58 117.80 2k2q h GLU 16 Ca 0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2k2q h GLU 16 Cb 0.36 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2k2q h GLU 16 CO 0.01 0.15 0.30 0.77 -1.16 0.00 0.00 179.01 179.08 2k2q h SER 17 N 0.00 0.78 0.98 1.42 0.02 -1.29 -1.21 113.55 114.26 2k2q h SER 17 Ca -0.00 -0.12 -0.21 0.00 -0.84 0.00 0.00 61.79 60.62 2k2q h SER 17 Cb 0.37 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 2k2q h SER 17 CO 0.02 0.68 -1.04 0.11 -1.14 0.00 0.00 176.83 175.46 2k2q h LYS 18 N 0.83 0.00 -0.42 3.45 1.79 -1.22 -3.13 116.57 117.87 2k2q h LYS 18 Ca 0.21 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.70 2k2q h LYS 18 Cb 0.10 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 2k2q h LYS 18 CO -0.03 0.89 0.24 1.25 -1.08 0.00 0.00 179.45 180.73 2k2q h LEU 19 N 0.00 0.39 -0.97 2.94 5.85 -0.64 -1.97 115.31 120.91 2k2q h LEU 19 Ca -0.04 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2k2q h LEU 19 Cb 1.76 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 2k2q h LEU 19 CO 0.12 0.28 -0.31 0.00 -0.34 0.00 0.00 178.44 178.18 2k2q h ALA 20 N 1.19 1.00 -0.49 1.25 0.00 -1.31 -2.27 119.26 118.62 2k2q h ALA 20 Ca 0.17 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2k2q h ALA 20 Cb 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2k2q h ALA 20 CO -0.08 0.39 -0.05 1.49 0.00 0.00 0.00 179.25 181.00 2k2q h GLU 21 N 0.00 0.86 0.00 0.00 4.81 -1.31 -2.92 114.58 116.02 2k2q h GLU 21 Ca -0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2k2q h GLU 21 Cb 0.85 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2k2q h GLU 21 CO 0.04 0.89 -0.13 -0.89 -0.73 0.00 0.00 179.01 178.19 2k2q n ILE 22 N -4.18 0.33 -0.29 2.32 5.41 -1.02 -4.06 119.36 117.86 2k2q n ILE 22 Ca 0.02 0.43 -0.05 0.00 1.00 0.00 0.00 62.75 64.16 2k2q n ILE 22 Cb 0.34 -1.71 0.07 0.00 -0.71 0.00 0.00 39.64 37.64 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 -0.23 1.05 0.00 1.39 -0.00 -1.59 -1.06 115.95 115.50 2k2q h TRP 23 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.88 2k2q h TRP 23 Cb 0.13 -0.34 0.00 0.00 -0.00 0.00 0.00 29.16 28.95 2k2q h TRP 23 CO -0.06 0.71 0.00 -1.91 -0.00 0.00 0.00 178.44 177.18 2k2q n GLU 24 N -4.46 0.62 -0.00 0.49 4.07 -1.10 0.13 120.64 120.38 2k2q n GLU 24 Ca 0.08 0.02 0.04 0.00 -0.06 0.00 0.00 57.16 57.24 2k2q n GLU 24 Cb 0.06 -1.50 -0.05 0.00 -0.06 0.00 0.00 31.44 29.90 2k2q n GLU 24 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2k2q n ARG 25 N -1.13 3.94 0.00 5.31 0.63 -0.57 -1.73 116.66 123.11 2k2q n ARG 25 Ca 0.16 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 2k2q n ARG 25 Cb 0.14 -0.91 0.00 0.00 0.45 0.00 0.00 32.46 32.15 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 -1.25 0.00 -0.12 5.15 0.31 -0.51 -4.87 118.33 117.04 2k2q n VAL 26 Ca 0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.11 2k2q n VAL 26 Cb 0.13 -0.71 -0.08 0.00 -0.91 0.00 0.00 33.84 32.27 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 -2.49 1.94 0.00 7.52 4.32 0.36 -4.87 117.00 123.78 2k2q n LEU 27 Ca 0.00 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 2k2q n LEU 27 Cb 0.38 -0.82 0.00 0.00 -1.62 0.00 0.00 43.42 41.35 2k2q n LEU 27 CO 0.00 0.30 0.06 0.61 -1.22 0.00 0.00 177.39 177.13 2k2q n GLY 28 N 1.34 -0.16 3.59 -0.72 0.00 0.12 -4.93 105.19 104.43 2k2q n GLY 28 Ca -0.41 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.26 -4.11 -0.68 1.61 0.31 -0.71 -4.87 118.33 109.62 2k2q n VAL 29 Ca 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2k2q n VAL 29 Cb 0.00 -4.18 0.00 0.00 -0.91 0.00 0.00 33.84 28.75 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 -3.04 0.19 -0.29 4.52 7.64 -1.26 -5.02 113.62 116.36 2k2q n SER 30 Ca -0.13 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 58.87 2k2q n SER 30 Cb 0.61 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.03 0.81 3.93 0.23 0.00 -1.26 -3.41 105.19 105.52 2k2q n GLY 31 Ca 0.00 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.59 4.89 0.00 -0.61 -4.36 -1.26 -0.35 121.20 116.92 2k2q s ILE 32 Ca 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 60.65 60.17 2k2q s ILE 32 Cb 0.00 -3.81 0.00 0.00 1.25 0.00 0.00 42.46 39.90 2k2q s ILE 32 CO 0.00 -0.64 0.00 0.61 0.24 0.00 0.00 174.94 175.15 2k2q n GLY 33 N -2.00 4.31 2.12 6.27 0.00 -1.26 -4.95 105.19 109.68 2k2q n GLY 33 Ca -0.02 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 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 3.48 -0.59 -0.61 2.08 -1.26 -3.95 119.36 118.51 2k2q n ILE 34 Ca 0.00 -1.90 0.04 0.00 0.56 0.00 0.00 62.75 61.46 2k2q n ILE 34 Cb 0.00 -2.23 0.06 0.00 -0.75 0.00 0.00 39.64 36.72 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 2.91 1.99 -1.99 1.39 4.77 -1.26 -5.07 117.00 119.74 2k2q n LEU 35 Ca 0.56 -2.36 -0.01 0.00 -0.03 0.00 0.00 56.01 54.18 2k2q n LEU 35 Cb 0.66 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2k2q n LEU 35 CO 0.40 0.56 -0.37 -0.67 -1.33 0.00 0.00 177.39 175.98 2k2q n ASP 36 N -0.87 -6.11 -0.31 -1.43 2.03 -1.25 -5.11 116.55 103.49 2k2q n ASP 36 Ca 0.07 1.23 0.00 0.00 0.52 0.00 0.00 54.79 56.61 2k2q n ASP 36 Cb 0.45 -3.94 0.00 0.00 -0.72 0.00 0.00 41.12 36.91 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 1.26 0.29 0.20 1.67 0.23 -1.26 -4.99 115.26 112.65 2k2q n ASN 37 Ca -0.05 -0.27 0.15 0.00 -0.53 0.00 0.00 54.58 53.87 2k2q n ASN 37 Cb 0.08 0.00 0.78 0.00 -2.08 0.00 0.00 39.78 38.56 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 0.27 0.00 0.00 -2.53 -0.00 -1.98 0.63 116.94 113.33 2k2q h PHE 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 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 0.00 0.35 -0.00 0.00 0.00 178.31 178.66 2k2q h PHE 39 N 0.00 0.00 0.06 6.09 3.04 -1.95 0.70 116.94 124.88 2k2q h PHE 39 Ca 0.08 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.73 2k2q h PHE 39 Cb 0.38 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.86 2k2q h PHE 39 CO 0.00 0.00 -1.66 1.04 -2.02 0.00 0.00 178.31 175.67 2k2q n GLN 40 N -2.50 0.66 0.01 1.11 3.00 0.20 -2.53 117.38 117.34 2k2q n GLN 40 Ca 0.02 0.42 -0.12 0.00 -0.01 0.00 0.00 57.00 57.30 2k2q n GLN 40 Cb 0.25 -1.72 0.00 0.00 0.00 0.00 0.00 30.24 28.77 2k2q n GLN 40 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 2k2q h ILE 41 N -0.49 1.33 -1.46 5.09 6.09 -1.46 -3.30 117.51 123.31 2k2q h ILE 41 Ca -0.40 -2.01 -0.60 0.00 -1.37 0.00 0.00 64.86 60.49 2k2q h ILE 41 Cb 1.66 1.98 -0.41 0.00 0.47 0.00 0.00 36.82 40.52 2k2q h ILE 41 CO -0.08 0.62 -0.62 0.61 -3.07 0.00 0.00 178.15 175.61 2k2q n GLY 42 N 0.53 6.02 3.73 8.18 0.00 0.23 -5.00 105.19 118.88 2k2q n GLY 42 Ca -0.05 -2.74 -0.41 0.00 0.00 0.00 0.00 46.02 42.82 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 -3.39 2.87 0.00 -0.02 0.00 -1.05 -4.74 107.32 101.00 2k2q s GLY 43 Ca 0.49 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.64 2k2q s GLY 43 CO -0.18 1.38 0.00 -2.39 0.00 0.00 0.00 173.10 171.92 2k2q n HIS 44 N 3.20 0.00 -0.90 1.90 1.44 -1.26 -4.83 115.22 114.77 2k2q n HIS 44 Ca 0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.84 2k2q n HIS 44 Cb 0.50 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.57 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 -0.27 -5.41 -2.59 4.39 7.64 -1.26 -3.75 113.62 112.37 2k2q n SER 45 Ca 0.00 0.56 -0.14 0.00 1.01 0.00 0.00 58.87 60.30 2k2q n SER 45 Cb 0.00 -2.87 0.02 0.00 -1.01 0.00 0.00 64.21 60.36 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 -3.46 2.63 0.00 -3.43 4.77 -1.26 -4.76 117.00 111.49 2k2q n LEU 46 Ca -0.02 -4.12 0.00 0.00 -0.03 0.00 0.00 56.01 51.84 2k2q n LEU 46 Cb 0.42 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2k2q n LEU 46 CO 0.01 1.72 0.00 0.29 -1.33 0.00 0.00 177.39 178.09 2k2q n LYS 47 N -0.29 0.00 0.24 3.23 4.76 -1.26 -5.01 118.16 119.82 2k2q n LYS 47 Ca 0.20 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.81 2k2q n LYS 47 Cb 0.78 0.00 0.88 0.00 -1.84 0.00 0.00 35.03 34.85 2k2q n LYS 47 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k2q h ALA 48 N 2.00 1.65 0.00 7.82 0.00 -1.98 -0.45 119.26 128.30 2k2q h ALA 48 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k2q h ALA 48 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k2q h ALA 48 CO 0.00 -0.27 -0.05 1.98 0.00 0.00 0.00 179.25 180.91 2k2q h MET 49 N 0.00 0.00 -0.21 0.00 -1.53 -1.95 -1.61 114.93 109.63 2k2q h MET 49 Ca 0.07 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.29 2k2q h MET 49 Cb 0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.51 2k2q h MET 49 CO -0.00 0.05 0.00 0.00 0.14 0.00 0.00 176.91 177.10 2k2q h ALA 50 N 1.95 0.28 -0.61 0.39 0.00 -1.16 -2.38 119.26 117.73 2k2q h ALA 50 Ca -0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2k2q h ALA 50 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2k2q h ALA 50 CO 0.01 -0.00 0.07 0.28 0.00 0.00 0.00 179.25 179.60 2k2q h VAL 51 N 0.13 1.26 -0.90 0.00 2.07 -1.56 -1.05 116.25 116.20 2k2q h VAL 51 Ca 0.06 -1.05 0.09 0.00 0.82 0.00 0.00 66.70 66.62 2k2q h VAL 51 Cb 0.39 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 2k2q h VAL 51 CO 0.01 0.39 0.55 0.00 0.02 0.00 0.00 177.57 178.53 2k2q h ALA 52 N 1.01 1.30 -0.03 1.67 0.00 -1.19 -0.04 119.26 121.98 2k2q h ALA 52 Ca 0.18 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2k2q h ALA 52 Cb 0.47 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2k2q h ALA 52 CO 0.02 0.20 -0.32 0.00 0.00 0.00 0.00 179.25 179.15 2k2q h ALA 53 N 1.47 0.08 -0.12 0.00 0.00 -1.17 -2.19 119.26 117.33 2k2q h ALA 53 Ca 0.43 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2k2q h ALA 53 Cb 0.35 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2k2q h ALA 53 CO -0.23 0.16 -0.21 0.37 0.00 0.00 0.00 179.25 179.33 2k2q h GLN 54 N -0.29 -0.27 -0.22 0.00 -0.00 -0.71 -1.99 115.11 111.64 2k2q h GLN 54 Ca -0.03 0.02 -0.14 0.00 -0.00 0.00 0.00 58.65 58.49 2k2q h GLN 54 Cb 1.01 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.54 2k2q h GLN 54 CO 0.06 -0.18 -0.46 0.28 0.00 0.00 0.00 178.83 178.54 2k2q h VAL 55 N -0.28 1.31 -0.62 2.39 2.07 -1.13 0.74 116.25 120.73 2k2q h VAL 55 Ca 0.10 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 2k2q h VAL 55 Cb 0.42 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 2k2q h VAL 55 CO -0.28 0.52 0.31 0.45 0.02 0.00 0.00 177.57 178.59 2k2q h HIS 56 N 0.45 0.86 -0.64 1.57 3.86 -0.94 -1.91 115.15 118.39 2k2q h HIS 56 Ca 0.03 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2k2q h HIS 56 Cb 0.98 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.18 2k2q h HIS 56 CO 0.04 0.62 0.00 -2.13 0.86 0.00 0.00 177.93 177.32 2k2q n ARG 57 N -4.36 2.67 -3.24 2.45 3.00 -0.79 -4.99 116.66 111.41 2k2q n ARG 57 Ca 0.06 -2.56 -0.06 0.00 -0.00 0.00 0.00 57.85 55.29 2k2q n ARG 57 Cb 0.12 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.03 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 1.60 -1.38 -2.45 -0.14 2.13 -0.72 -4.42 120.64 115.25 2k2q n GLU 58 Ca 0.23 1.31 -0.03 0.00 0.66 0.00 0.00 57.16 59.34 2k2q n GLU 58 Cb 0.62 -4.95 0.00 0.00 0.27 0.00 0.00 31.44 27.38 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 -2.00 -2.86 -0.27 4.31 4.01 0.20 -4.93 117.16 115.61 2k2q n TYR 59 Ca -0.08 1.22 -0.06 0.00 -0.16 0.00 0.00 57.90 58.82 2k2q n TYR 59 Cb 0.55 -3.42 0.06 0.00 -0.31 0.00 0.00 39.34 36.21 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 1.96 1.14 0.00 -0.72 4.20 -1.77 -3.46 115.11 116.46 2k2q h GLN 60 Ca 0.00 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2k2q h GLN 60 Cb 0.31 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2k2q h GLN 60 CO 0.11 0.95 0.00 0.28 -0.67 0.00 0.00 178.83 179.50 2k2q n VAL 61 N -4.29 0.00 0.00 -0.54 0.31 -1.26 -4.04 118.33 108.51 2k2q n VAL 61 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2k2q n VAL 61 Cb 0.20 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 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 -3.65 5.55 -0.58 -1.26 -5.05 120.64 115.65 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 -0.01 -0.09 0.00 -0.57 0.00 0.00 31.44 30.77 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 -3.95 4.13 -1.52 -4.62 1.43 -1.26 -5.00 118.68 107.89 2k2q s LEU 63 Ca 0.00 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 2k2q s LEU 63 Cb 0.00 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 2k2q s LEU 63 CO 0.00 0.07 2.60 -0.81 0.23 0.00 0.00 176.35 178.44 2k2q n PRO 64 N 4.21 3.56 -2.82 1.29 -0.04 -1.26 -4.88 135.00 135.06 2k2q n PRO 64 Ca -0.15 -2.57 -0.40 0.00 -0.04 0.00 0.00 63.50 60.34 2k2q n PRO 64 Cb 0.52 -2.93 -0.06 0.00 -0.04 0.00 0.00 33.50 30.99 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 0.47 4.58 -1.19 1.53 2.96 -1.26 -4.07 118.68 121.69 2k2q s LEU 65 Ca 0.59 1.79 -0.04 0.00 -0.22 0.00 0.00 54.13 56.25 2k2q s LEU 65 Cb 0.16 -3.49 -0.02 0.00 0.50 0.00 0.00 46.19 43.34 2k2q s LEU 65 CO -0.07 0.11 0.84 0.29 -1.32 0.00 0.00 176.35 176.20 2k2q n LYS 66 N 1.93 -4.25 0.04 1.98 4.76 -1.26 -4.85 118.16 116.52 2k2q n LYS 66 Ca -0.02 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.14 2k2q n LYS 66 Cb 0.48 -5.39 0.00 0.00 -1.84 0.00 0.00 35.03 28.29 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 -3.97 0.00 0.00 -0.18 3.14 -1.26 -4.87 118.33 111.19 2k2q n VAL 67 Ca -0.22 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 2k2q n VAL 67 Cb 0.65 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 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 -2.67 0.00 -3.53 6.55 4.77 -1.26 -5.00 117.00 115.87 2k2q n LEU 68 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 2k2q n LEU 68 Cb 0.00 0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2k2q n LEU 68 CO 0.00 -0.27 2.56 0.49 -1.33 0.00 0.00 177.39 178.84 2k2q n PHE 69 N -1.81 2.41 0.00 -1.77 3.72 -1.26 -2.32 117.46 116.44 2k2q n PHE 69 Ca 0.00 -2.43 0.00 0.00 -0.05 0.00 0.00 57.45 54.97 2k2q n PHE 69 Cb 0.00 -2.10 0.00 0.00 -0.94 0.00 0.00 39.48 36.44 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 5.80 0.00 -2.58 4.37 0.00 -1.26 -4.61 120.51 122.23 2k2q n ALA 70 Ca 0.54 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.65 2k2q n ALA 70 Cb 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.69 2.65 0.28 0.00 -0.21 -0.98 -4.99 119.66 115.73 2k2q s GLN 71 Ca 0.00 -0.70 0.25 0.00 0.02 0.00 0.00 55.36 54.94 2k2q s GLN 71 Cb 0.00 -2.42 0.74 0.00 1.00 0.00 0.00 33.01 32.33 2k2q s GLN 71 CO 0.00 0.55 1.74 -1.00 -2.12 0.00 0.00 175.29 174.46 2k2q h PRO 72 N 5.58 0.00 -3.99 2.91 0.13 -2.00 -3.41 132.00 131.21 2k2q h PRO 72 Ca -0.43 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.93 2k2q h PRO 72 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 2k2q h PRO 72 CO 0.51 0.00 0.10 0.99 -0.23 0.00 0.00 178.00 179.37 2k2q s THR 73 N -3.17 5.45 0.09 1.56 2.01 -1.26 -4.87 115.64 115.46 2k2q s THR 73 Ca 0.09 -2.19 -0.11 0.00 0.31 0.00 0.00 61.69 59.79 2k2q s THR 73 Cb 0.10 -4.47 -0.21 0.00 0.01 0.00 0.00 72.50 67.93 2k2q s THR 73 CO 0.59 -1.04 1.24 0.40 -0.69 0.00 0.00 174.62 175.11 2k2q h ILE 74 N 5.08 1.31 0.00 1.82 2.04 -1.94 -3.20 117.51 122.63 2k2q h ILE 74 Ca 0.03 -2.28 -0.03 0.00 1.00 0.00 0.00 64.86 63.58 2k2q h ILE 74 Cb 1.05 2.36 -0.00 0.00 -0.74 0.00 0.00 36.82 39.48 2k2q h ILE 74 CO 0.84 0.70 -0.12 0.07 0.00 0.00 0.00 178.15 179.64 2k2q h LYS 75 N 0.36 0.00 -0.54 2.37 5.09 -1.97 0.26 116.57 122.14 2k2q h LYS 75 Ca -0.11 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.59 2k2q h LYS 75 Cb 1.64 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.94 2k2q h LYS 75 CO 0.19 0.12 0.17 0.00 -2.09 0.00 0.00 179.45 177.84 2k2q h ALA 76 N 1.88 1.28 0.11 0.07 0.00 -1.96 -1.45 119.26 119.18 2k2q h ALA 76 Ca -0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.43 2k2q h ALA 76 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2k2q h ALA 76 CO 0.02 0.52 -1.50 -0.07 0.00 0.00 0.00 179.25 178.21 2k2q h LEU 77 N 0.79 0.35 -1.90 0.00 3.38 -1.42 -3.31 115.31 113.20 2k2q h LEU 77 Ca 0.18 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2k2q h LEU 77 Cb 0.23 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2k2q h LEU 77 CO -0.01 1.40 -0.09 0.00 0.09 0.00 0.00 178.44 179.83 2k2q h ALA 78 N 0.55 1.15 -0.43 1.53 0.00 -0.67 0.10 119.26 121.49 2k2q h ALA 78 Ca -0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2k2q h ALA 78 Cb 2.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2k2q h ALA 78 CO 0.16 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2k2q n GLN 79 N -3.41 2.52 0.00 0.00 10.64 -0.57 -4.45 117.38 122.11 2k2q n GLN 79 Ca -0.01 -2.31 0.00 0.00 -1.83 0.00 0.00 57.00 52.85 2k2q n GLN 79 Cb 0.25 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 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 1.49 -0.27 0.01 2.61 4.01 -0.83 -4.94 117.16 119.25 2k2q n TYR 80 Ca 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 2k2q n TYR 80 Cb 0.60 0.42 0.31 0.00 -0.31 0.00 0.00 39.34 40.36 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 1.19 0.00 -0.72 2.07 -1.21 -3.51 116.25 114.08 2k2q h VAL 81 Ca 0.00 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2k2q h VAL 81 Cb 0.00 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2k2q h VAL 81 CO 0.00 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.85