#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 0.02 0.29 -5.12 0.00 -1.26 -4.29 105.19 94.83 2k2q n GLY 2 Ca 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.51 0.00 -1.42 1.61 0.24 -1.26 -4.42 118.33 109.57 2k2q n VAL 3 Ca -0.07 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.34 61.74 2k2q n VAL 3 Cb 0.56 0.88 0.09 0.00 -1.47 0.00 0.00 33.84 33.90 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 -2.62 2.58 -0.52 3.34 2.01 -1.26 -4.80 115.64 114.36 2k2q s THR 4 Ca 0.18 0.26 -0.37 0.00 0.31 0.00 0.00 61.69 62.07 2k2q s THR 4 Cb 0.18 -2.76 -0.15 0.00 0.01 0.00 0.00 72.50 69.78 2k2q s THR 4 CO 0.62 -0.17 2.28 -0.62 -0.69 0.00 0.00 174.62 176.04 2k2q n GLU 5 N -2.85 0.54 -2.06 4.92 4.71 -1.26 -4.79 120.64 119.84 2k2q n GLU 5 Ca 0.12 0.12 -0.42 0.00 -0.01 0.00 0.00 57.16 56.98 2k2q n GLU 5 Cb 0.51 -2.07 -0.03 0.00 -1.01 0.00 0.00 31.44 28.84 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 7.57 3.66 -0.05 0.62 0.00 -0.59 -4.88 121.76 128.09 2k2q s ALA 6 Ca 1.17 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 54.27 2k2q s ALA 6 Cb -1.08 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 18.40 2k2q s ALA 6 CO 0.53 -0.82 2.41 1.04 0.00 0.00 0.00 175.76 178.91 2k2q n GLN 7 N 4.60 1.37 -2.73 0.00 1.13 -1.26 -3.98 117.38 116.52 2k2q n GLN 7 Ca 0.13 -0.48 -0.07 0.00 -1.94 0.00 0.00 57.00 54.64 2k2q n GLN 7 Cb 0.41 -1.34 0.06 0.00 0.11 0.00 0.00 30.24 29.48 2k2q n GLN 7 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2k2q n TYR 8 N 1.59 -2.54 0.21 1.08 9.36 -1.26 -4.99 117.16 120.61 2k2q n TYR 8 Ca 0.15 -1.50 0.12 0.00 3.32 0.00 0.00 57.90 59.99 2k2q n TYR 8 Cb 0.61 1.45 0.11 0.00 -0.63 0.00 0.00 39.34 40.88 2k2q n TYR 8 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 2k2q h VAL 9 N 2.51 0.00 -3.28 2.97 3.04 -1.80 -2.74 116.25 116.95 2k2q h VAL 9 Ca -0.17 -0.95 -0.57 0.00 -1.01 0.00 0.00 66.70 63.99 2k2q h VAL 9 Cb 1.09 1.73 -0.06 0.00 -2.01 0.00 0.00 31.29 32.03 2k2q h VAL 9 CO 0.18 0.00 0.86 0.00 -1.01 0.00 0.00 177.57 177.59 2k2q s ALA 10 N -3.27 3.50 1.07 3.17 0.00 -1.26 -4.79 121.76 120.18 2k2q s ALA 10 Ca 0.04 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 2k2q s ALA 10 Cb 0.08 -3.68 0.17 0.00 0.00 0.00 0.00 23.12 19.68 2k2q s ALA 10 CO 0.72 -1.48 0.78 -0.35 0.00 0.00 0.00 175.76 175.43 2k2q n PRO 11 N 6.88 -1.50 0.06 0.00 -0.04 -1.26 -4.88 135.00 134.25 2k2q n PRO 11 Ca 0.12 -1.23 -0.16 0.00 -0.04 0.00 0.00 63.50 62.20 2k2q n PRO 11 Cb 0.47 -0.95 -0.14 0.00 -0.04 0.00 0.00 33.50 32.84 2k2q n PRO 11 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2k2q h THR 12 N -1.84 1.18 -3.57 0.52 1.35 -1.97 -3.47 112.91 105.11 2k2q h THR 12 Ca -0.27 -2.84 -0.40 0.00 -0.55 0.00 0.00 66.41 62.34 2k2q h THR 12 Cb 0.78 2.75 -0.18 0.00 -1.73 0.00 0.00 68.15 69.76 2k2q h THR 12 CO 0.18 0.81 -0.75 0.21 -0.25 0.00 0.00 175.52 175.72 2k2q s ASN 13 N -6.91 1.95 0.23 5.36 3.84 -1.26 -5.06 114.94 113.09 2k2q s ASN 13 Ca -0.08 -0.82 -0.08 0.00 0.21 0.00 0.00 52.86 52.09 2k2q s ASN 13 Cb 0.07 -0.06 0.26 0.00 -0.55 0.00 0.00 41.25 40.97 2k2q s ASN 13 CO 0.85 -0.16 1.85 0.00 -2.79 0.00 0.00 177.10 176.85 2k2q h ALA 14 N 3.48 1.06 -0.24 1.71 0.00 -2.02 -2.49 119.26 120.76 2k2q h ALA 14 Ca -0.39 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.54 2k2q h ALA 14 Cb 1.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2k2q h ALA 14 CO 0.51 0.27 0.16 0.28 0.00 0.00 0.00 179.25 180.48 2k2q h VAL 15 N 0.94 0.94 0.00 0.00 2.07 -2.01 -1.11 116.25 117.08 2k2q h VAL 15 Ca 0.33 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.77 2k2q h VAL 15 Cb 0.07 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2k2q h VAL 15 CO -0.14 0.02 -0.20 -0.08 0.02 0.00 0.00 177.57 177.19 2k2q h GLU 16 N 0.10 0.00 0.00 1.57 4.22 -1.82 -2.12 114.58 116.54 2k2q h GLU 16 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.55 2k2q h GLU 16 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2k2q h GLU 16 CO -0.01 0.20 0.00 0.43 -2.18 0.00 0.00 179.01 177.45 2k2q n SER 17 N -3.90 0.61 0.23 1.04 7.64 -0.42 -2.07 113.62 116.75 2k2q n SER 17 Ca -0.02 0.68 0.09 0.00 1.01 0.00 0.00 58.87 60.64 2k2q n SER 17 Cb 0.29 -0.80 0.54 0.00 -1.01 0.00 0.00 64.21 63.23 2k2q n SER 17 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2k2q h LYS 18 N 0.00 0.00 0.00 1.43 1.63 -1.51 -2.29 116.57 115.83 2k2q h LYS 18 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2k2q h LYS 18 Cb 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 2k2q h LYS 18 CO 0.00 0.22 0.00 -0.07 -3.45 0.00 0.00 179.45 176.15 2k2q h LEU 19 N 0.00 0.00 -1.52 5.20 3.38 -1.61 -3.00 115.31 117.76 2k2q h LEU 19 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2k2q h LEU 19 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2k2q h LEU 19 CO 0.03 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.34 2k2q h ALA 20 N 2.25 1.24 0.00 1.53 0.00 -1.57 0.12 119.26 122.82 2k2q h ALA 20 Ca 0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 2k2q h ALA 20 Cb 0.68 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2k2q h ALA 20 CO 0.00 0.27 -1.59 0.39 0.00 0.00 0.00 179.25 178.32 2k2q n GLU 21 N -3.69 0.63 0.05 0.00 -0.58 -1.14 -0.00 120.64 115.90 2k2q n GLU 21 Ca -0.01 0.28 -0.17 0.00 -0.42 0.00 0.00 57.16 56.84 2k2q n GLU 21 Cb 0.34 -1.80 -0.14 0.00 -0.57 0.00 0.00 31.44 29.26 2k2q n GLU 21 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2k2q h ILE 22 N 0.00 1.04 0.00 -3.67 2.04 -1.48 -3.41 117.51 112.03 2k2q h ILE 22 Ca -0.24 -2.72 -0.00 0.00 1.00 0.00 0.00 64.86 62.91 2k2q h ILE 22 Cb 1.85 2.69 -0.00 0.00 -0.74 0.00 0.00 36.82 40.62 2k2q h ILE 22 CO 0.07 0.79 -0.27 0.79 0.00 0.00 0.00 178.15 179.53 2k2q n TRP 23 N -3.41 0.00 0.16 1.37 7.02 0.40 -4.67 117.44 118.31 2k2q n TRP 23 Ca -0.19 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.17 2k2q n TRP 23 Cb 1.05 -0.13 -0.07 0.00 -2.42 0.00 0.00 31.31 29.74 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 -0.26 -0.62 -0.37 -0.99 4.22 -1.52 0.22 114.58 115.27 2k2q h GLU 24 Ca -0.00 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.48 2k2q h GLU 24 Cb 0.27 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k2q h GLU 24 CO -0.00 -0.41 0.00 -2.13 -2.18 0.00 0.00 179.01 174.28 2k2q n ARG 25 N -4.56 0.51 0.08 1.92 0.63 1.00 0.11 116.66 116.34 2k2q n ARG 25 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 2k2q n ARG 25 Cb 0.31 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 32.04 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 0.04 0.34 -0.05 5.15 0.31 -0.79 -4.85 118.33 118.47 2k2q n VAL 26 Ca 0.00 0.11 -0.19 0.00 -0.01 0.00 0.00 64.34 64.25 2k2q n VAL 26 Cb 0.09 -0.92 -0.13 0.00 -0.91 0.00 0.00 33.84 31.97 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 -3.25 2.53 0.00 7.52 4.32 0.72 -4.75 117.00 124.09 2k2q n LEU 27 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 2k2q n LEU 27 Cb 0.06 -0.88 0.00 0.00 -1.62 0.00 0.00 43.42 40.98 2k2q n LEU 27 CO 0.00 0.84 0.00 0.61 -1.22 0.00 0.00 177.39 177.62 2k2q n GLY 28 N 2.05 -0.48 3.75 -0.72 0.00 -0.90 -4.95 105.19 103.95 2k2q n GLY 28 Ca -0.36 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.04 -2.04 0.00 1.61 0.31 0.29 -4.83 118.33 111.63 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 -2.95 0.00 0.00 -0.91 0.00 0.00 33.84 29.98 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 4.39 0.00 4.52 7.64 -1.26 -5.04 113.62 121.08 2k2q n SER 30 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2k2q n SER 30 Cb 0.54 0.69 0.00 0.00 -1.01 0.00 0.00 64.21 64.43 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 2.41 0.82 0.00 0.23 0.00 -1.26 -4.40 105.19 102.99 2k2q n GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.00 -0.61 -5.35 -1.26 -1.54 119.36 110.60 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 0.00 -1.58 0.00 0.00 -1.74 0.00 0.00 39.64 36.32 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 -0.66 3.10 3.28 0.00 -1.26 -4.53 105.19 110.11 2k2q n GLY 33 Ca 0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 4.35 -2.06 -0.61 2.08 -1.03 -4.30 119.36 117.78 2k2q n ILE 34 Ca 0.00 -4.59 -0.03 0.00 0.56 0.00 0.00 62.75 58.69 2k2q n ILE 34 Cb 0.00 -2.39 -0.04 0.00 -0.75 0.00 0.00 39.64 36.46 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 4.41 -0.44 -1.70 1.39 4.77 -1.26 -4.86 117.00 119.30 2k2q n LEU 35 Ca 0.38 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 2k2q n LEU 35 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2k2q n LEU 35 CO 0.74 1.18 -0.33 -0.67 -1.33 0.00 0.00 177.39 176.98 2k2q n ASP 36 N 0.06 -6.88 -1.68 -1.43 2.03 -1.26 -5.05 116.55 102.34 2k2q n ASP 36 Ca -0.15 1.06 -0.03 0.00 0.52 0.00 0.00 54.79 56.18 2k2q n ASP 36 Cb 0.71 -3.80 0.01 0.00 -0.72 0.00 0.00 41.12 37.32 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 1.27 -0.87 -0.20 1.67 2.04 -1.08 -4.84 115.26 113.26 2k2q n ASN 37 Ca 0.00 -1.59 0.13 0.00 -0.44 0.00 0.00 54.58 52.68 2k2q n ASN 37 Cb 0.00 1.44 0.45 0.00 -2.53 0.00 0.00 39.78 39.14 2k2q n ASN 37 CO 0.00 0.00 0.00 2.19 -0.44 0.00 0.00 177.26 179.01 2k2q h PHE 38 N 1.37 0.63 0.10 -2.53 -0.00 -1.80 -3.05 116.94 111.66 2k2q h PHE 38 Ca -0.13 0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 57.86 2k2q h PHE 38 Cb 0.47 -0.20 0.00 0.00 -0.00 0.00 0.00 35.95 36.22 2k2q h PHE 38 CO 0.00 0.25 -0.05 0.35 -0.00 0.00 0.00 178.31 178.86 2k2q h PHE 39 N 0.54 -0.13 -1.32 6.09 3.57 -1.96 -3.35 116.94 120.38 2k2q h PHE 39 Ca 0.39 -0.00 -0.50 0.00 3.53 0.00 0.00 57.97 61.39 2k2q h PHE 39 Cb 0.74 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.45 2k2q h PHE 39 CO -0.00 -0.08 1.20 -1.14 -2.23 0.00 0.00 178.31 176.06 2k2q s GLN 40 N -1.94 3.14 0.00 1.11 0.74 -1.15 -3.31 119.66 118.24 2k2q s GLN 40 Ca -0.02 -0.56 0.00 0.00 0.05 0.00 0.00 55.36 54.83 2k2q s GLN 40 Cb 0.00 -4.96 0.00 0.00 1.10 0.00 0.00 33.01 29.15 2k2q s GLN 40 CO 0.06 -2.57 0.00 1.51 -0.55 0.00 0.00 175.29 173.74 2k2q n ILE 41 N 7.10 0.00 0.00 -2.34 0.13 0.65 -2.62 119.36 122.28 2k2q n ILE 41 Ca 0.28 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.93 2k2q n ILE 41 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.30 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 0.00 0.01 3.17 4.50 0.00 -1.13 -4.37 105.19 107.37 2k2q n GLY 42 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.99 1.15 -0.02 0.00 -1.22 -4.73 105.19 98.38 2k2q n GLY 43 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2k2q n GLY 43 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k2q n HIS 44 N -3.98 -0.26 -4.97 1.61 8.25 -1.26 -4.80 115.22 109.81 2k2q n HIS 44 Ca 0.14 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2k2q n HIS 44 Cb 0.50 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.67 2k2q n HIS 44 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2k2q n SER 45 N -3.47 -4.48 -3.28 0.41 7.64 -1.26 -4.79 113.62 104.38 2k2q n SER 45 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2k2q n SER 45 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.73 0.21 -3.43 1.02 -1.26 -5.02 118.68 109.48 2k2q s LEU 46 Ca 0.00 -1.25 -0.17 0.00 0.02 0.00 0.00 54.13 52.72 2k2q s LEU 46 Cb 0.00 1.21 0.02 0.00 0.02 0.00 0.00 46.19 47.44 2k2q s LEU 46 CO 0.00 -0.21 0.54 -0.54 0.02 0.00 0.00 176.35 176.16 2k2q s LYS 47 N 1.58 1.46 0.14 1.70 1.02 -1.26 -5.03 119.74 119.35 2k2q s LYS 47 Ca 0.17 -0.95 -0.22 0.00 0.02 0.00 0.00 55.97 55.00 2k2q s LYS 47 Cb -0.10 0.52 0.02 0.00 -0.52 0.00 0.00 37.83 37.75 2k2q s LYS 47 CO -0.05 -0.63 1.65 0.00 -0.92 0.00 0.00 175.35 175.41 2k2q h ALA 48 N 2.18 -0.07 -0.28 5.17 0.00 -2.00 -1.73 119.26 122.53 2k2q h ALA 48 Ca -0.27 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2k2q h ALA 48 Cb 1.26 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2k2q h ALA 48 CO 0.35 -0.62 0.07 1.98 0.00 0.00 0.00 179.25 181.03 2k2q h MET 49 N -0.21 0.39 -0.36 0.00 -1.53 -1.98 0.43 114.93 111.68 2k2q h MET 49 Ca 0.13 -0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.31 2k2q h MET 49 Cb 0.40 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.36 2k2q h MET 49 CO -0.34 0.37 0.11 0.00 0.14 0.00 0.00 176.91 177.19 2k2q h ALA 50 N 1.69 0.47 -0.04 0.39 0.00 -1.68 -1.67 119.26 118.43 2k2q h ALA 50 Ca 0.10 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2k2q h ALA 50 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2k2q h ALA 50 CO -0.00 0.12 -0.78 0.28 0.00 0.00 0.00 179.25 178.86 2k2q h VAL 51 N 0.43 1.41 -0.77 0.00 2.07 -1.00 -3.06 116.25 115.33 2k2q h VAL 51 Ca 0.12 -2.29 0.02 0.00 0.82 0.00 0.00 66.70 65.37 2k2q h VAL 51 Cb 0.26 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 2k2q h VAL 51 CO -0.00 0.68 0.51 0.00 0.02 0.00 0.00 177.57 178.78 2k2q h ALA 52 N 0.95 1.50 -0.70 1.67 0.00 -0.72 0.22 119.26 122.18 2k2q h ALA 52 Ca -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k2q h ALA 52 Cb 1.37 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2k2q h ALA 52 CO 0.13 0.43 0.24 0.00 0.00 0.00 0.00 179.25 180.06 2k2q h ALA 53 N 1.54 0.92 -0.06 0.00 0.00 -1.21 0.49 119.26 120.93 2k2q h ALA 53 Ca 0.30 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k2q h ALA 53 Cb -0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2k2q h ALA 53 CO -0.08 0.58 0.03 1.96 0.00 0.00 0.00 179.25 181.73 2k2q h GLN 54 N 1.02 0.10 -0.89 0.00 1.08 -1.13 -2.01 115.11 113.28 2k2q h GLN 54 Ca 0.23 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.41 2k2q h GLN 54 Cb 0.27 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 2k2q h GLN 54 CO -0.01 0.22 0.53 0.28 -0.95 0.00 0.00 178.83 178.90 2k2q h VAL 55 N -0.05 1.25 0.00 -0.54 2.07 -0.80 0.55 116.25 118.74 2k2q h VAL 55 Ca 0.02 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2k2q h VAL 55 Cb 0.16 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2k2q h VAL 55 CO -0.00 0.26 0.00 1.57 0.02 0.00 0.00 177.57 179.42 2k2q n HIS 56 N -4.40 0.60 -0.33 1.57 -0.00 0.15 -1.75 115.22 111.07 2k2q n HIS 56 Ca 0.09 0.23 0.06 0.00 0.46 0.00 0.00 57.72 58.56 2k2q n HIS 56 Cb 0.06 -0.88 0.15 0.00 -0.12 0.00 0.00 29.99 29.21 2k2q n HIS 56 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2k2q n ARG 57 N -2.05 2.85 -2.61 1.57 3.00 -0.52 -4.96 116.66 113.94 2k2q n ARG 57 Ca 0.03 -2.14 -0.21 0.00 -0.00 0.00 0.00 57.85 55.52 2k2q n ARG 57 Cb 0.22 -1.35 0.01 0.00 0.00 0.00 0.00 32.46 31.34 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 0.14 -2.80 -1.88 -0.14 2.13 -0.66 -4.38 120.64 113.05 2k2q n GLU 58 Ca 0.12 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.92 2k2q n GLU 58 Cb 0.49 -5.72 0.00 0.00 0.27 0.00 0.00 31.44 26.48 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 -4.19 -3.20 0.17 4.31 4.01 0.18 -4.95 117.16 113.49 2k2q n TYR 59 Ca -0.20 1.90 0.12 0.00 -0.16 0.00 0.00 57.90 59.56 2k2q n TYR 59 Cb 0.67 -3.22 0.02 0.00 -0.31 0.00 0.00 39.34 36.49 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 2.82 0.00 0.00 -0.72 4.20 -1.78 -3.48 115.11 116.14 2k2q h GLN 60 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k2q h GLN 60 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2k2q h GLN 60 CO 0.00 0.00 0.00 0.28 -0.67 0.00 0.00 178.83 178.44 2k2q n VAL 61 N -2.60 0.00 0.00 -0.54 0.31 -1.26 -4.30 118.33 109.94 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 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 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 -3.52 5.55 -0.58 -1.26 -4.97 120.64 115.87 2k2q n GLU 62 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 2k2q n GLU 62 Cb 0.00 -0.10 -0.09 0.00 -0.57 0.00 0.00 31.44 30.68 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 -1.96 4.08 -1.44 -4.62 1.02 -1.26 -5.00 118.68 109.50 2k2q s LEU 63 Ca 0.00 0.21 -0.13 0.00 0.02 0.00 0.00 54.13 54.24 2k2q s LEU 63 Cb 0.00 -2.28 0.05 0.00 0.02 0.00 0.00 46.19 43.98 2k2q s LEU 63 CO 0.00 -0.06 2.24 -0.81 0.02 0.00 0.00 176.35 177.74 2k2q n PRO 64 N 4.77 3.09 -2.73 1.29 -0.04 -1.26 -4.83 135.00 135.29 2k2q n PRO 64 Ca -0.12 -2.74 -0.41 0.00 -0.04 0.00 0.00 63.50 60.20 2k2q n PRO 64 Cb 0.51 -3.17 -0.05 0.00 -0.04 0.00 0.00 33.50 30.75 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 1.54 4.54 -1.12 1.53 2.96 -1.26 -2.93 118.68 123.94 2k2q s LEU 65 Ca 0.48 1.84 -0.09 0.00 -0.22 0.00 0.00 54.13 56.14 2k2q s LEU 65 Cb 0.14 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2k2q s LEU 65 CO -0.07 -0.00 0.86 0.29 -1.32 0.00 0.00 176.35 176.11 2k2q n LYS 66 N 2.43 -2.70 0.00 1.98 4.76 -1.20 -4.89 118.16 118.54 2k2q n LYS 66 Ca 0.01 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 2k2q n LYS 66 Cb 0.49 -5.28 0.00 0.00 -1.84 0.00 0.00 35.03 28.40 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 -3.71 0.00 0.00 -0.18 3.14 -1.26 -5.07 118.33 111.25 2k2q n VAL 67 Ca -0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 2k2q n VAL 67 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 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 -1.41 -0.03 0.08 6.55 7.94 -1.26 -4.95 117.00 123.91 2k2q n LEU 68 Ca 0.00 0.05 -0.12 0.00 -1.11 0.00 0.00 56.01 54.83 2k2q n LEU 68 Cb 0.00 0.10 -0.05 0.00 0.53 0.00 0.00 43.42 43.99 2k2q n LEU 68 CO 0.00 -0.03 0.78 -0.26 -1.11 0.00 0.00 177.39 176.77 2k2q h PHE 69 N 0.00 -0.33 -1.47 1.96 0.04 -1.85 -2.92 116.94 112.37 2k2q h PHE 69 Ca 0.00 0.01 -0.73 0.00 2.80 0.00 0.00 57.97 60.04 2k2q h PHE 69 Cb 0.00 0.14 -0.18 0.00 2.20 0.00 0.00 35.95 38.11 2k2q h PHE 69 CO 0.00 -0.19 1.75 0.00 -0.60 0.00 0.00 178.31 179.27 2k2q n ALA 70 N -2.38 6.56 -3.72 2.45 0.00 -1.15 -0.25 120.51 122.02 2k2q n ALA 70 Ca -0.06 -4.10 -0.12 0.00 0.00 0.00 0.00 53.44 49.16 2k2q n ALA 70 Cb 0.17 -2.51 -0.12 0.00 0.00 0.00 0.00 19.45 16.99 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 -2.21 0.26 0.10 0.00 -1.52 -1.10 -3.22 119.66 111.97 2k2q s GLN 71 Ca 0.51 0.61 0.27 0.00 -1.95 0.00 0.00 55.36 54.79 2k2q s GLN 71 Cb 0.22 -0.09 1.01 0.00 -0.22 0.00 0.00 33.01 33.93 2k2q s GLN 71 CO -0.14 -0.16 1.82 -0.35 -0.25 0.00 0.00 175.29 176.21 2k2q n PRO 72 N 4.27 0.12 -5.01 2.91 -0.04 -1.26 -4.77 135.00 131.22 2k2q n PRO 72 Ca -0.24 0.13 -0.27 0.00 -0.04 0.00 0.00 63.50 63.07 2k2q n PRO 72 Cb 0.54 -1.65 -0.16 0.00 -0.04 0.00 0.00 33.50 32.19 2k2q n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2k2q s THR 73 N -3.06 1.64 -0.25 0.52 2.01 -1.26 -4.96 115.64 110.28 2k2q s THR 73 Ca 0.12 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 2k2q s THR 73 Cb 0.15 -1.38 -0.15 0.00 0.01 0.00 0.00 72.50 71.13 2k2q s THR 73 CO 0.53 0.47 -0.25 -0.38 -0.69 0.00 0.00 174.62 174.29 2k2q n ILE 74 N 2.76 1.41 0.27 1.82 5.41 -1.26 -4.44 119.36 125.33 2k2q n ILE 74 Ca -0.16 -0.48 0.10 0.00 1.00 0.00 0.00 62.75 63.21 2k2q n ILE 74 Cb 0.53 -1.51 0.72 0.00 -0.71 0.00 0.00 39.64 38.67 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 -0.29 0.00 0.00 0.38 5.09 -1.94 0.13 116.57 119.95 2k2q h LYS 75 Ca -0.58 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.14 2k2q h LYS 75 Cb 1.76 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 34.09 2k2q h LYS 75 CO -0.18 0.01 -0.10 0.00 -2.09 0.00 0.00 179.45 177.09 2k2q h ALA 76 N 1.99 1.32 0.00 0.07 0.00 -2.01 -2.53 119.26 118.10 2k2q h ALA 76 Ca -0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 2k2q h ALA 76 Cb 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2k2q h ALA 76 CO 0.00 0.13 -2.09 1.28 0.00 0.00 0.00 179.25 178.57 2k2q n LEU 77 N -3.67 0.00 0.20 0.00 4.77 -0.00 -4.31 117.00 113.99 2k2q n LEU 77 Ca -0.02 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.11 2k2q n LEU 77 Cb 0.21 0.29 0.67 0.00 -2.33 0.00 0.00 43.42 42.26 2k2q n LEU 77 CO 0.30 0.29 0.93 0.00 -1.33 0.00 0.00 177.39 177.58 2k2q h ALA 78 N 1.15 1.00 -0.40 -1.18 0.00 -0.42 0.61 119.26 120.01 2k2q h ALA 78 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2k2q h ALA 78 Cb 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2k2q h ALA 78 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2k2q n GLN 79 N -2.57 2.43 0.02 0.00 10.64 -1.05 -4.23 117.38 122.63 2k2q n GLN 79 Ca 0.00 -2.13 0.00 0.00 -1.83 0.00 0.00 57.00 53.04 2k2q n GLN 79 Cb 0.18 -1.39 0.00 0.00 -0.86 0.00 0.00 30.24 28.16 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 1.05 -0.28 0.06 2.61 4.01 -0.62 -4.91 117.16 119.08 2k2q n TYR 80 Ca 0.16 0.05 -0.21 0.00 -0.16 0.00 0.00 57.90 57.74 2k2q n TYR 80 Cb 0.50 0.50 -0.13 0.00 -0.31 0.00 0.00 39.34 39.89 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 1.36 -0.02 -0.72 2.07 -0.10 -3.51 116.25 115.32 2k2q h VAL 81 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2k2q h VAL 81 Cb 0.03 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2k2q h VAL 81 CO 0.00 0.71 0.00 0.00 0.02 0.00 0.00 177.57 178.30