#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba s ARG 2 N 0.00 2.51 0.43 0.00 3.52 -1.26 -4.93 118.95 119.23 2qba s ARG 2 Ca 0.00 1.30 -0.25 0.00 -0.13 0.00 0.00 55.73 56.65 2qba s ARG 2 Cb 0.00 -4.46 -0.08 0.00 -1.56 0.00 0.00 34.95 28.85 2qba s ARG 2 CO 0.00 -2.82 1.30 0.08 -0.81 0.00 0.00 175.30 173.04 2qba s VAL 3 N 10.29 2.59 0.00 7.11 1.01 -1.26 -4.98 120.40 135.16 2qba s VAL 3 Ca 0.88 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2qba s VAL 3 Cb -0.19 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2qba s VAL 3 CO 0.27 0.06 0.46 0.29 0.00 0.00 0.00 175.10 176.17 2qba n LYS 4 N -0.11 0.00 -1.24 2.72 5.02 -1.26 -4.85 118.16 118.44 2qba n LYS 4 Ca 0.05 0.46 -0.06 0.00 -2.02 0.00 0.00 58.31 56.74 2qba n LYS 4 Cb 0.44 -0.91 -0.02 0.00 -0.02 0.00 0.00 35.03 34.52 2qba n LYS 4 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qba n ARG 5 N -0.99 -0.41 0.00 1.97 1.74 -1.26 -4.97 116.66 112.74 2qba n ARG 5 Ca 0.00 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 2qba n ARG 5 Cb 0.00 -4.42 0.00 0.00 -1.02 0.00 0.00 32.46 27.02 2qba n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qba n GLY 6 N -2.18 -0.04 0.29 -0.13 0.00 -1.26 -4.50 105.19 97.37 2qba n GLY 6 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 2qba n GLY 6 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2qba h VAL 7 N 0.00 0.48 -1.09 1.61 -1.51 -1.96 0.23 116.25 114.00 2qba h VAL 7 Ca 0.00 -0.10 0.31 0.00 -1.23 0.00 0.00 66.70 65.67 2qba h VAL 7 Cb 0.00 0.15 -0.11 0.00 -2.13 0.00 0.00 31.29 29.20 2qba h VAL 7 CO 0.00 0.05 0.69 -0.29 -1.23 0.00 0.00 177.57 176.80 2qba h ILE 8 N 0.30 0.41 0.00 7.19 6.09 -1.99 -1.39 117.51 128.12 2qba h ILE 8 Ca 0.47 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.85 2qba h ILE 8 Cb 0.85 0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.19 2qba h ILE 8 CO -0.54 0.06 0.00 0.00 -3.07 0.00 0.00 178.15 174.60 2qba n ALA 9 N -2.45 -0.15 0.13 0.18 0.00 0.79 -3.40 120.51 115.61 2qba n ALA 9 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2qba n ALA 9 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.45 2qba n ALA 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qba n ARG 10 N -1.47 0.13 -0.09 0.00 1.85 -1.11 -2.15 116.66 113.82 2qba n ARG 10 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 2qba n ARG 10 Cb 0.00 -1.08 -0.04 0.00 -1.05 0.00 0.00 32.46 30.29 2qba n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qba n ALA 11 N 0.46 0.71 0.53 2.89 0.00 -0.54 -3.11 120.51 121.44 2qba n ALA 11 Ca 0.00 -0.63 0.11 0.00 0.00 0.00 0.00 53.44 52.93 2qba n ALA 11 Cb 0.03 -0.05 0.45 0.00 0.00 0.00 0.00 19.45 19.88 2qba n ALA 11 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qba n ARG 12 N -4.50 0.15 0.11 0.00 1.85 -0.92 -2.46 116.66 110.89 2qba n ARG 12 Ca -0.18 0.30 -0.08 0.00 -1.00 0.00 0.00 57.85 56.89 2qba n ARG 12 Cb 0.47 -1.74 -0.04 0.00 -1.05 0.00 0.00 32.46 30.09 2qba n ARG 12 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2qba h HIS 13 N 0.00 -0.33 -0.62 2.89 3.86 -1.67 -3.01 115.15 116.26 2qba h HIS 13 Ca 0.00 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.33 2qba h HIS 13 Cb 0.43 0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 2qba h HIS 13 CO 0.00 -0.10 0.42 -0.22 0.86 0.00 0.00 177.93 178.89 2qba h LYS 14 N -1.05 0.27 0.00 2.45 3.64 -1.47 0.67 116.57 121.08 2qba h LYS 14 Ca -0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2qba h LYS 14 Cb 0.39 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2qba h LYS 14 CO 0.06 0.18 0.00 1.17 -2.27 0.00 0.00 179.45 178.59 2qba n LYS 15 N -4.45 0.00 -0.30 1.90 4.81 -1.03 -2.74 118.16 116.35 2qba n LYS 15 Ca 0.11 0.36 0.02 0.00 -0.87 0.00 0.00 58.31 57.93 2qba n LYS 15 Cb 0.49 -1.29 0.09 0.00 0.02 0.00 0.00 35.03 34.34 2qba n LYS 15 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2qba h ILE 16 N 0.00 0.13 0.00 3.15 5.03 -1.35 0.12 117.51 124.58 2qba h ILE 16 Ca 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 64.86 64.66 2qba h ILE 16 Cb 0.00 0.13 -0.03 0.00 -3.03 0.00 0.00 36.82 33.89 2qba h ILE 16 CO 0.00 0.00 0.06 -0.11 -0.68 0.00 0.00 178.15 177.42 2qba n LEU 17 N -5.52 2.54 0.00 1.44 7.94 0.20 -1.28 117.00 122.32 2qba n LEU 17 Ca 0.11 -1.69 0.00 0.00 -1.11 0.00 0.00 56.01 53.33 2qba n LEU 17 Cb 0.42 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.70 2qba n LEU 17 CO -0.06 0.55 0.00 1.17 -1.11 0.00 0.00 177.39 177.94 2qba n LYS 18 N 2.58 0.00 0.00 1.96 4.81 0.38 -4.81 118.16 123.09 2qba n LYS 18 Ca 0.17 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.67 2qba n LYS 18 Cb 0.41 -0.07 0.36 0.00 0.02 0.00 0.00 35.03 35.75 2qba n LYS 18 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2qba n GLN 19 N -1.57 0.70 -0.00 1.64 6.02 -0.41 -1.75 117.38 122.02 2qba n GLN 19 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.05 2qba n GLN 19 Cb 0.00 -1.27 -0.09 0.00 1.02 0.00 0.00 30.24 29.90 2qba n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qba n ALA 20 N -0.77 2.62 -1.70 -1.58 0.00 -1.15 -4.84 120.51 113.08 2qba n ALA 20 Ca 0.09 -0.30 -0.57 0.00 0.00 0.00 0.00 53.44 52.67 2qba n ALA 20 Cb 0.04 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 2qba n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qba n LYS 21 N -1.82 1.14 0.00 0.00 4.76 -0.71 -1.68 118.16 119.85 2qba n LYS 21 Ca -0.02 0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2qba n LYS 21 Cb 0.30 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 2qba n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qba n GLY 22 N 4.00 2.07 3.84 0.72 0.00 -1.26 -5.08 105.19 109.48 2qba n GLY 22 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 2qba n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qba s TYR 23 N -1.80 3.42 0.54 1.61 4.12 -0.68 -5.07 117.35 119.49 2qba s TYR 23 Ca 0.00 1.39 -0.07 0.00 0.02 0.00 0.00 57.07 58.41 2qba s TYR 23 Cb 0.00 -2.71 -0.03 0.00 -1.52 0.00 0.00 41.96 37.70 2qba s TYR 23 CO 0.00 -0.21 0.88 -0.47 0.02 0.00 0.00 175.55 175.77 2qba s TYR 24 N -2.41 3.54 0.00 2.71 5.04 -1.26 -4.29 117.35 120.69 2qba s TYR 24 Ca 0.58 0.95 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 2qba s TYR 24 Cb -0.10 -2.50 0.00 0.00 0.35 0.00 0.00 41.96 39.71 2qba s TYR 24 CO 0.26 -0.49 0.00 0.41 -1.34 0.00 0.00 175.55 174.39 2qba n GLY 25 N -2.47 -0.52 0.13 8.97 0.00 -1.26 -2.85 105.19 107.20 2qba n GLY 25 Ca 0.03 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.13 2qba n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qba n ALA 26 N 0.54 0.64 0.26 4.61 0.00 -1.26 -2.28 120.51 123.03 2qba n ALA 26 Ca 0.00 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2qba n ALA 26 Cb 0.00 -0.77 0.53 0.00 0.00 0.00 0.00 19.45 19.21 2qba n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.79 0.67 114.38 116.34 2qba h ARG 27 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2qba h ARG 27 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2qba h ARG 27 CO 0.00 0.00 -0.26 0.43 -1.07 0.00 0.00 179.97 179.07 2qba n SER 28 N -2.90 1.55 0.03 7.04 7.64 -0.96 -3.95 113.62 122.06 2qba n SER 28 Ca 0.02 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.07 2qba n SER 28 Cb 0.68 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2qba n SER 28 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qba n ARG 29 N -0.89 0.00 -2.94 1.43 1.74 0.18 -4.86 116.66 111.33 2qba n ARG 29 Ca 0.11 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.76 2qba n ARG 29 Cb 0.69 -0.03 -0.05 0.00 -1.02 0.00 0.00 32.46 32.05 2qba n ARG 29 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qba s VAL 30 N -2.00 4.61 0.19 1.55 1.01 0.15 -4.94 120.40 120.98 2qba s VAL 30 Ca 0.00 0.44 -0.15 0.00 0.00 0.00 0.00 61.98 62.27 2qba s VAL 30 Cb 0.00 -4.35 0.18 0.00 0.00 0.00 0.00 36.38 32.21 2qba s VAL 30 CO 0.00 -0.77 1.64 0.22 0.00 0.00 0.00 175.10 176.19 2qba h TYR 31 N 9.02 -0.32 -1.18 5.22 3.20 -1.94 0.33 116.97 131.29 2qba h TYR 31 Ca -0.25 0.05 0.42 0.00 3.14 0.00 0.00 58.73 62.09 2qba h TYR 31 Cb 1.08 0.23 -0.15 0.00 1.54 0.00 0.00 36.73 39.43 2qba h TYR 31 CO 0.82 -0.25 0.72 0.00 -1.64 0.00 0.00 178.16 177.81 2qba h ARG 32 N -0.01 0.09 0.01 1.82 3.08 -1.93 0.65 114.38 118.08 2qba h ARG 32 Ca 0.26 -0.01 -0.36 0.00 0.07 0.00 0.00 59.98 59.95 2qba h ARG 32 Cb 0.41 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 2qba h ARG 32 CO -0.57 0.06 -2.21 1.33 -1.07 0.00 0.00 179.97 177.51 2qba n VAL 33 N -4.92 1.51 0.32 2.04 0.24 -0.37 -3.34 118.33 113.80 2qba n VAL 33 Ca 0.37 -0.76 0.19 0.00 -2.04 0.00 0.00 64.34 62.09 2qba n VAL 33 Cb 1.33 -0.94 1.05 0.00 -1.47 0.00 0.00 33.84 33.82 2qba n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qba h ALA 34 N 0.69 1.29 0.00 2.33 0.00 0.27 0.24 119.26 124.09 2qba h ALA 34 Ca -0.48 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2qba h ALA 34 Cb 2.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 2qba h ALA 34 CO 0.02 0.00 -0.36 0.35 0.00 0.00 0.00 179.25 179.26 2qba h PHE 35 N 0.00 0.00 0.00 0.00 -0.00 -0.01 -2.62 116.94 114.31 2qba h PHE 35 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2qba h PHE 35 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2qba h PHE 35 CO 0.00 1.01 0.00 1.04 -0.00 0.00 0.00 178.31 180.36 2qba n GLN 36 N -4.58 0.09 -0.07 1.11 6.02 -0.53 -2.26 117.38 117.16 2qba n GLN 36 Ca -0.15 0.14 -0.06 0.00 -0.01 0.00 0.00 57.00 56.92 2qba n GLN 36 Cb 0.49 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.23 2qba n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qba n ALA 37 N -1.16 0.59 -0.09 -1.58 0.00 0.75 -4.13 120.51 114.89 2qba n ALA 37 Ca 0.02 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 2qba n ALA 37 Cb 0.02 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 2qba n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qba h VAL 38 N -0.91 0.04 -0.72 0.00 2.07 -1.07 -1.33 116.25 114.33 2qba h VAL 38 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2qba h VAL 38 Cb 0.67 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.39 2qba h VAL 38 CO 0.00 0.00 -0.43 -0.38 0.02 0.00 0.00 177.57 176.78 2qba n ILE 39 N -5.41 -0.49 0.05 4.57 2.08 -0.96 -0.44 119.36 118.77 2qba n ILE 39 Ca -0.04 1.91 -0.16 0.00 0.56 0.00 0.00 62.75 65.03 2qba n ILE 39 Cb 0.36 -2.38 -0.10 0.00 -0.75 0.00 0.00 39.64 36.77 2qba n ILE 39 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2qba h LYS 40 N 0.00 -0.64 -1.14 0.38 1.79 -1.48 -0.02 116.57 115.46 2qba h LYS 40 Ca 0.12 0.04 0.33 0.00 -2.18 0.00 0.00 60.65 58.96 2qba h LYS 40 Cb 0.30 0.14 -0.11 0.00 -1.58 0.00 0.00 32.23 30.98 2qba h LYS 40 CO -0.68 -0.42 0.74 0.00 -1.08 0.00 0.00 179.45 178.00 2qba h ALA 41 N -0.46 2.43 -0.69 3.86 0.00 0.16 0.90 119.26 125.47 2qba h ALA 41 Ca 0.01 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2qba h ALA 41 Cb 0.71 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2qba h ALA 41 CO -0.35 -0.92 0.17 0.78 0.00 0.00 0.00 179.25 178.93 2qba h GLY 42 N 0.27 1.16 0.23 0.00 0.00 0.12 -1.34 103.07 103.51 2qba h GLY 42 Ca 0.68 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2qba h GLY 42 CO -0.34 0.66 -0.04 1.46 0.00 0.00 0.00 176.54 178.28 2qba h GLN 43 N 1.03 -0.12 -1.09 4.80 4.20 0.12 -1.47 115.11 122.59 2qba h GLN 43 Ca 0.22 0.01 0.31 0.00 0.06 0.00 0.00 58.65 59.25 2qba h GLN 43 Cb 0.35 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 2qba h GLN 43 CO 0.00 0.38 0.77 1.88 -0.67 0.00 0.00 178.83 181.20 2qba h TYR 44 N -0.90 0.07 0.02 2.96 0.99 -0.44 0.42 116.97 120.09 2qba h TYR 44 Ca -0.01 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 2qba h TYR 44 Cb 0.56 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.27 2qba h TYR 44 CO 0.12 0.01 -0.01 0.00 -0.00 0.00 0.00 178.16 178.28 2qba h ALA 45 N 1.47 -0.04 -1.43 3.88 0.00 -1.25 -1.59 119.26 120.32 2qba h ALA 45 Ca 0.53 -0.00 0.41 0.00 0.00 0.00 0.00 54.91 55.85 2qba h ALA 45 Cb 2.02 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 2qba h ALA 45 CO -0.04 -0.03 1.03 -0.92 0.00 0.00 0.00 179.25 179.29 2qba h TYR 46 N -0.57 0.00 0.04 0.00 3.20 -0.60 0.83 116.97 119.88 2qba h TYR 46 Ca -0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2qba h TYR 46 Cb 0.02 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.29 2qba h TYR 46 CO 0.00 -0.00 -0.02 -0.09 -1.64 0.00 0.00 178.16 176.41 2qba h ARG 47 N 0.00 -0.05 0.00 1.82 2.43 -0.27 -3.29 114.38 115.02 2qba h ARG 47 Ca 0.68 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.85 2qba h ARG 47 Cb 2.73 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 32.29 2qba h ARG 47 CO -0.01 0.53 0.00 -0.25 -1.51 0.00 0.00 179.97 178.73 2qba n ASP 48 N -4.74 0.00 0.23 -3.80 10.43 0.50 -2.28 116.55 116.88 2qba n ASP 48 Ca -0.07 0.44 0.06 0.00 2.57 0.00 0.00 54.79 57.79 2qba n ASP 48 Cb 0.30 -0.47 0.52 0.00 1.84 0.00 0.00 41.12 43.31 2qba n ASP 48 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 2qba h ARG 49 N 0.00 0.00 0.00 -1.24 9.65 0.46 -2.18 114.38 121.07 2qba h ARG 49 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2qba h ARG 49 Cb 0.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2qba h ARG 49 CO 0.00 0.20 -1.77 0.54 2.80 0.00 0.00 179.97 181.74 2qba n ARG 50 N -4.18 0.62 0.04 0.20 3.00 -0.97 -4.29 116.66 111.09 2qba n ARG 50 Ca -0.02 -0.13 -0.07 0.00 -0.01 0.00 0.00 57.85 57.61 2qba n ARG 50 Cb 0.26 -1.58 0.10 0.00 0.00 0.00 0.00 32.46 31.24 2qba n ARG 50 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2qba h GLN 51 N 0.00 0.43 -0.98 5.56 4.20 -1.37 -3.05 115.11 119.89 2qba h GLN 51 Ca 0.00 -0.27 0.06 0.00 0.06 0.00 0.00 58.65 58.50 2qba h GLN 51 Cb 0.98 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.72 2qba h GLN 51 CO 0.00 0.86 0.63 -0.09 -0.67 0.00 0.00 178.83 179.57 2qba h ARG 52 N 0.33 1.13 -0.34 1.46 2.43 -1.60 0.19 114.38 117.99 2qba h ARG 52 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2qba h ARG 52 Cb 1.06 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2qba h ARG 52 CO 0.09 0.75 0.00 1.63 -1.51 0.00 0.00 179.97 180.93 2qba n LYS 53 N -4.51 0.56 0.00 0.20 5.02 -1.15 -2.64 118.16 115.64 2qba n LYS 53 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2qba n LYS 53 Cb 0.17 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2qba n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qba n ARG 54 N -0.07 0.00 0.18 1.97 1.74 0.52 -4.56 116.66 116.44 2qba n ARG 54 Ca 0.00 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.23 2qba n ARG 54 Cb 0.08 -0.46 0.75 0.00 -1.02 0.00 0.00 32.46 31.82 2qba n ARG 54 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qba h GLN 55 N 0.00 0.00 0.11 5.56 4.20 -0.87 -1.28 115.11 122.83 2qba h GLN 55 Ca 0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 2qba h GLN 55 Cb 0.57 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 2qba h GLN 55 CO 0.00 0.00 -2.06 1.19 -0.67 0.00 0.00 178.83 177.29 2qba n PHE 56 N -4.15 1.09 0.36 2.96 0.99 -1.15 -3.11 117.46 114.45 2qba n PHE 56 Ca 0.02 0.23 -0.18 0.00 -0.00 0.00 0.00 57.45 57.52 2qba n PHE 56 Cb 0.31 -1.14 -0.09 0.00 -1.00 0.00 0.00 39.48 37.56 2qba n PHE 56 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2qba h ARG 57 N 0.05 -0.88 0.00 -1.08 2.43 -1.73 1.26 114.38 114.43 2qba h ARG 57 Ca -0.45 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2qba h ARG 57 Cb 2.01 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.76 2qba h ARG 57 CO 0.06 -0.59 0.00 1.04 -1.51 0.00 0.00 179.97 178.97 2qba n GLN 58 N -5.49 0.12 -0.05 0.20 6.02 -0.51 -1.52 117.38 116.16 2qba n GLN 58 Ca -0.13 0.59 -0.02 0.00 -0.01 0.00 0.00 57.00 57.42 2qba n GLN 58 Cb 0.38 -1.88 -0.01 0.00 1.02 0.00 0.00 30.24 29.75 2qba n GLN 58 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2qba h LEU 59 N 0.00 0.00 -0.43 1.08 7.12 -0.71 -2.93 115.31 119.43 2qba h LEU 59 Ca 0.00 0.00 0.09 0.00 0.13 0.00 0.00 57.88 58.10 2qba h LEU 59 Cb 0.05 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 40.09 2qba h LEU 59 CO 0.00 0.51 -0.26 -0.50 -0.13 0.00 0.00 178.44 178.06 2qba h TRP 60 N -0.82 -0.69 -0.90 1.25 6.55 0.17 0.54 115.95 122.06 2qba h TRP 60 Ca 0.00 0.05 0.17 0.00 0.95 0.00 0.00 58.89 60.06 2qba h TRP 60 Cb 0.21 0.37 -0.07 0.00 -0.86 0.00 0.00 29.16 28.80 2qba h TRP 60 CO -0.09 -0.33 0.58 0.82 -1.05 0.00 0.00 178.44 178.37 2qba h ILE 61 N -0.18 0.76 -0.59 1.49 2.04 -1.45 0.83 117.51 120.41 2qba h ILE 61 Ca 0.20 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2qba h ILE 61 Cb 0.49 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2qba h ILE 61 CO -0.53 0.10 0.39 0.00 0.00 0.00 0.00 178.15 178.11 2qba h ALA 62 N 1.61 1.65 0.06 1.87 0.00 0.27 -2.12 119.26 122.60 2qba h ALA 62 Ca 0.47 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.98 2qba h ALA 62 Cb 0.92 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2qba h ALA 62 CO -0.21 0.29 -2.07 2.89 0.00 0.00 0.00 179.25 180.15 2qba n ARG 63 N -4.46 0.68 -0.22 0.00 1.85 0.39 -3.13 116.66 111.78 2qba n ARG 63 Ca 0.07 0.28 -0.01 0.00 -1.00 0.00 0.00 57.85 57.19 2qba n ARG 63 Cb 0.11 -1.64 0.06 0.00 -1.05 0.00 0.00 32.46 29.94 2qba n ARG 63 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2qba h ILE 64 N -0.24 0.31 -0.47 8.89 1.08 0.60 1.24 117.51 128.93 2qba h ILE 64 Ca -0.49 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 63.87 2qba h ILE 64 Cb 1.84 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.88 2qba h ILE 64 CO -0.06 0.00 -0.14 -1.13 -0.69 0.00 0.00 178.15 176.13 2qba h ASN 65 N -0.03 0.93 -0.77 1.72 -1.24 -1.58 0.27 115.58 114.89 2qba h ASN 65 Ca 0.31 -0.37 0.06 0.00 0.71 0.00 0.00 56.30 57.00 2qba h ASN 65 Cb 0.50 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 39.25 2qba h ASN 65 CO -0.69 1.09 0.50 0.00 -1.29 0.00 0.00 177.43 177.05 2qba h ALA 66 N 0.87 1.63 0.04 1.57 0.00 -0.20 0.51 119.26 123.68 2qba h ALA 66 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qba h ALA 66 Cb 0.70 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2qba h ALA 66 CO 0.05 0.26 -0.02 0.00 0.00 0.00 0.00 179.25 179.54 2qba h ALA 67 N 1.58 -0.05 -0.18 0.00 0.00 0.15 -3.12 119.26 117.64 2qba h ALA 67 Ca 0.33 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2qba h ALA 67 Cb 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2qba h ALA 67 CO -0.11 -0.07 0.25 0.00 0.00 0.00 0.00 179.25 179.32 2qba h ALA 68 N -0.42 1.72 -0.07 0.00 0.00 -0.76 0.60 119.26 120.33 2qba h ALA 68 Ca -0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2qba h ALA 68 Cb 0.54 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2qba h ALA 68 CO 0.01 -0.34 -0.51 -0.09 0.00 0.00 0.00 179.25 178.31 2qba h ARG 69 N 0.00 0.20 -0.34 0.00 9.65 0.01 -2.61 114.38 121.29 2qba h ARG 69 Ca 0.09 -0.12 0.09 0.00 -1.10 0.00 0.00 59.98 58.94 2qba h ARG 69 Cb 0.59 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.16 2qba h ARG 69 CO -0.00 0.67 0.24 0.37 2.80 0.00 0.00 179.97 184.05 2qba h GLN 70 N 0.16 0.06 0.00 0.20 5.75 0.29 -3.41 115.11 118.16 2qba h GLN 70 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2qba h GLN 70 Cb 0.96 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.50 2qba h GLN 70 CO 0.08 0.04 0.00 0.09 -2.65 0.00 0.00 178.83 176.39 2qba n ASN 71 N -4.45 0.00 -0.67 -0.69 4.13 -0.99 -5.01 115.26 107.58 2qba n ASN 71 Ca 0.05 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.35 2qba n ASN 71 Cb 0.37 0.00 0.21 0.00 -1.54 0.00 0.00 39.78 38.82 2qba n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qba n GLY 72 N 5.00 5.11 2.92 7.41 0.00 -1.26 -5.01 105.19 119.36 2qba n GLY 72 Ca 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 2qba n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qba s ILE 73 N -3.24 0.19 0.22 -0.61 1.10 -1.22 -5.11 121.20 112.55 2qba s ILE 73 Ca 0.39 -0.18 -0.01 0.00 -0.51 0.00 0.00 60.65 60.34 2qba s ILE 73 Cb 0.37 -0.18 -0.04 0.00 0.15 0.00 0.00 42.46 42.76 2qba s ILE 73 CO -0.06 0.00 0.42 -0.94 -2.11 0.00 0.00 174.94 172.25 2qba s SER 74 N -0.19 6.38 0.12 4.50 1.04 -1.26 -3.38 113.70 120.91 2qba s SER 74 Ca -0.00 0.42 -0.25 0.00 0.48 0.00 0.00 55.95 56.60 2qba s SER 74 Cb -0.02 -2.02 -0.06 0.00 0.10 0.00 0.00 66.02 64.02 2qba s SER 74 CO -0.00 -0.08 1.43 0.22 0.98 0.00 0.00 173.24 175.78 2qba h TYR 75 N 1.82 -1.46 -0.34 5.02 3.20 -1.91 1.09 116.97 124.39 2qba h TYR 75 Ca -0.48 0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.51 2qba h TYR 75 Cb 1.19 0.72 -0.04 0.00 1.54 0.00 0.00 36.73 40.15 2qba h TYR 75 CO 0.55 -0.32 -0.20 0.43 -1.64 0.00 0.00 178.16 176.98 2qba n SER 76 N -4.78 -0.37 0.09 -2.11 7.64 -1.26 -0.46 113.62 112.38 2qba n SER 76 Ca 0.00 1.04 -0.06 0.00 1.01 0.00 0.00 58.87 60.87 2qba n SER 76 Cb 0.22 -0.29 0.07 0.00 -1.01 0.00 0.00 64.21 63.20 2qba n SER 76 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2qba h LYS 77 N 0.00 0.17 0.00 1.43 1.57 -1.83 -2.05 116.57 115.86 2qba h LYS 77 Ca 0.06 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2qba h LYS 77 Cb 0.14 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2qba h LYS 77 CO -0.32 0.82 0.00 0.34 -0.57 0.00 0.00 179.45 179.71 2qba n PHE 78 N -3.76 0.00 -0.05 -1.35 -0.00 0.37 0.12 117.46 112.79 2qba n PHE 78 Ca -0.02 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.62 2qba n PHE 78 Cb 0.70 -0.45 0.64 0.00 -0.00 0.00 0.00 39.48 40.37 2qba n PHE 78 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 2qba h ILE 79 N 0.00 0.74 0.41 -2.13 -0.00 -0.88 0.43 117.51 116.07 2qba h ILE 79 Ca 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 64.86 64.80 2qba h ILE 79 Cb 0.00 0.62 -0.00 0.00 -0.00 0.00 0.00 36.82 37.44 2qba h ILE 79 CO 0.00 0.02 -0.24 -1.13 -0.00 0.00 0.00 178.15 176.80 2qba h ASN 80 N 0.11 -0.59 -0.51 2.19 -0.00 -0.57 0.16 115.58 116.37 2qba h ASN 80 Ca 0.29 0.03 0.08 0.00 -0.00 0.00 0.00 56.30 56.71 2qba h ASN 80 Cb 1.01 0.17 -0.07 0.00 -0.00 0.00 0.00 38.32 39.43 2qba h ASN 80 CO -0.03 -0.37 0.12 1.23 -0.00 0.00 0.00 177.43 178.38 2qba h GLY 81 N -0.60 0.64 -0.43 1.57 0.00 0.20 0.41 103.07 104.87 2qba h GLY 81 Ca -0.06 -0.04 0.28 0.00 0.00 0.00 0.00 47.33 47.51 2qba h GLY 81 CO 0.06 -0.06 0.45 1.41 0.00 0.00 0.00 176.54 178.41 2qba h LEU 82 N 0.26 0.35 0.41 3.11 3.38 0.03 1.92 115.31 124.78 2qba h LEU 82 Ca 0.26 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 2qba h LEU 82 Cb 0.33 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2qba h LEU 82 CO -0.32 -0.10 -0.20 0.50 0.09 0.00 0.00 178.44 178.41 2qba h LYS 83 N 0.32 -0.54 -0.54 1.13 1.63 0.26 -3.25 116.57 115.58 2qba h LYS 83 Ca 0.65 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.60 2qba h LYS 83 Cb 1.39 0.12 -0.10 0.00 -0.60 0.00 0.00 32.23 33.04 2qba h LYS 83 CO -0.60 -0.25 -0.15 0.87 -3.45 0.00 0.00 179.45 175.87 2qba h LYS 84 N -1.03 -0.02 -5.30 1.90 1.57 0.24 -2.54 116.57 111.39 2qba h LYS 84 Ca -0.06 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 2qba h LYS 84 Cb 0.53 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2qba h LYS 84 CO 0.09 -0.01 0.64 0.00 -0.57 0.00 0.00 179.45 179.60 2qba n ALA 85 N -2.95 0.53 -1.66 3.86 0.00 0.62 -4.11 120.51 116.81 2qba n ALA 85 Ca 0.05 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.30 2qba n ALA 85 Cb 0.30 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.67 2qba n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qba n SER 86 N 15.69 0.00 0.00 0.00 2.88 -1.25 -3.59 113.62 127.34 2qba n SER 86 Ca 0.50 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 2qba n SER 86 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2qba n SER 86 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2qba n VAL 87 N -0.31 0.00 -2.55 2.46 0.31 -0.95 -4.91 118.33 112.38 2qba n VAL 87 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2qba n VAL 87 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2qba n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qba n GLU 88 N 0.00 -4.42 0.00 5.55 0.00 -1.24 -4.09 120.64 116.45 2qba n GLU 88 Ca 0.00 3.30 0.00 0.00 0.00 0.00 0.00 57.16 60.46 2qba n GLU 88 Cb 0.00 -4.52 0.00 0.00 0.00 0.00 0.00 31.44 26.92 2qba n GLU 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2qba n ILE 89 N 1.84 0.00 -0.62 6.31 2.08 -1.26 -4.71 119.36 123.00 2qba n ILE 89 Ca -0.26 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.05 2qba n ILE 89 Cb 0.40 -0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.29 2qba n ILE 89 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2qba n ASP 90 N -0.05 0.00 -0.15 4.38 9.92 -1.26 -4.83 116.55 124.57 2qba n ASP 90 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2qba n ASP 90 Cb 0.00 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 38.98 2qba n ASP 90 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2qba n ARG 91 N -2.00 0.00 -0.00 -1.24 0.63 -1.26 -2.03 116.66 110.75 2qba n ARG 91 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 2qba n ARG 91 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 2qba n ARG 91 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2qba n LYS 92 N -0.29 5.18 -0.12 -0.14 5.02 -1.26 -4.19 118.16 122.36 2qba n LYS 92 Ca 0.00 -0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 2qba n LYS 92 Cb 0.00 -0.73 -0.09 0.00 -0.02 0.00 0.00 35.03 34.19 2qba n LYS 92 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2qba n ILE 93 N -1.14 1.52 0.29 -0.18 3.06 -1.26 -4.04 119.36 117.61 2qba n ILE 93 Ca 0.01 -0.17 0.19 0.00 -2.50 0.00 0.00 62.75 60.28 2qba n ILE 93 Cb 0.07 -2.01 1.01 0.00 0.54 0.00 0.00 39.64 39.24 2qba n ILE 93 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 2qba h LEU 94 N -1.00 0.00 -0.06 9.51 -0.00 -1.82 0.22 115.31 122.15 2qba h LEU 94 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2qba h LEU 94 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 2qba h LEU 94 CO -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.16 2qba n ALA 95 N -2.00 2.01 0.81 1.53 0.00 -0.86 -2.52 120.51 119.48 2qba n ALA 95 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 2qba n ALA 95 Cb 0.09 -1.00 0.45 0.00 0.00 0.00 0.00 19.45 18.99 2qba n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qba n ASP 96 N -0.45 0.00 0.00 0.00 5.68 0.77 -2.79 116.55 119.75 2qba n ASP 96 Ca 0.00 0.18 0.01 0.00 -0.50 0.00 0.00 54.79 54.48 2qba n ASP 96 Cb 0.01 -0.36 0.05 0.00 -1.14 0.00 0.00 41.12 39.68 2qba n ASP 96 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2qba n ILE 97 N -1.36 0.00 0.98 2.12 -5.35 -1.05 0.96 119.36 115.66 2qba n ILE 97 Ca 0.07 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.66 2qba n ILE 97 Cb 0.18 -0.57 0.01 0.00 -1.74 0.00 0.00 39.64 37.52 2qba n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qba n ALA 98 N -0.65 3.33 -0.13 -1.28 0.00 -1.12 -3.90 120.51 116.76 2qba n ALA 98 Ca 0.01 -0.65 -0.28 0.00 0.00 0.00 0.00 53.44 52.52 2qba n ALA 98 Cb 0.01 -0.78 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 2qba n ALA 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qba n VAL 99 N 0.24 1.44 -4.24 0.00 0.31 0.27 -4.74 118.33 111.60 2qba n VAL 99 Ca 0.10 -0.37 -0.27 0.00 -0.01 0.00 0.00 64.34 63.79 2qba n VAL 99 Cb 0.49 -1.85 -0.09 0.00 -0.91 0.00 0.00 33.84 31.48 2qba n VAL 99 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2qba s PHE 100 N -2.48 2.75 -1.28 3.52 2.99 -1.16 -4.55 117.98 117.77 2qba s PHE 100 Ca -0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 56.93 56.38 2qba s PHE 100 Cb 0.14 -1.35 -0.00 0.00 0.00 0.00 0.00 43.02 41.80 2qba s PHE 100 CO 0.46 0.50 0.72 -3.47 -0.00 0.00 0.00 175.22 173.44 2qba n ASP 101 N 0.08 -1.64 -0.14 1.36 4.64 -1.26 -4.39 116.55 115.20 2qba n ASP 101 Ca -0.11 -0.82 0.27 0.00 -1.38 0.00 0.00 54.79 52.76 2qba n ASP 101 Cb 0.55 -4.10 0.72 0.00 -1.04 0.00 0.00 41.12 37.25 2qba n ASP 101 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 2qba h LYS 102 N -1.84 0.00 -0.13 -0.67 3.64 -1.80 0.41 116.57 116.19 2qba h LYS 102 Ca -0.61 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.79 2qba h LYS 102 Cb 1.36 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 2qba h LYS 102 CO 0.55 0.00 -0.02 0.28 -2.27 0.00 0.00 179.45 177.99 2qba h VAL 103 N 0.00 0.89 -3.44 2.00 2.07 -1.86 -3.32 116.25 112.58 2qba h VAL 103 Ca 0.39 -0.01 -0.47 0.00 0.82 0.00 0.00 66.70 67.44 2qba h VAL 103 Cb 1.66 0.87 0.21 0.00 -1.52 0.00 0.00 31.29 32.51 2qba h VAL 103 CO -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.52 2qba n ALA 104 N -2.27 -2.44 0.00 1.67 0.00 0.15 -2.26 120.51 115.35 2qba n ALA 104 Ca -0.04 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.40 2qba n ALA 104 Cb 0.09 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2qba n ALA 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qba n PHE 105 N -4.68 0.00 0.17 0.00 -0.00 -1.26 -4.38 117.46 107.31 2qba n PHE 105 Ca 0.05 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.67 2qba n PHE 105 Cb 0.54 0.00 0.78 0.00 -0.00 0.00 0.00 39.48 40.80 2qba n PHE 105 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2qba h THR 106 N 0.00 0.60 0.20 -2.13 2.02 -1.55 0.37 112.91 112.41 2qba h THR 106 Ca 0.00 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.91 2qba h THR 106 Cb 0.00 0.84 0.03 0.00 -1.74 0.00 0.00 68.15 67.28 2qba h THR 106 CO 0.00 0.00 -1.18 0.00 0.37 0.00 0.00 175.52 174.71 2qba h ALA 107 N 1.80 -0.11 -0.83 6.16 0.00 -1.76 -3.15 119.26 121.38 2qba h ALA 107 Ca 0.11 -0.81 0.24 0.00 0.00 0.00 0.00 54.91 54.45 2qba h ALA 107 Cb 0.52 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2qba h ALA 107 CO -0.00 0.56 0.60 -0.07 0.00 0.00 0.00 179.25 180.34 2qba h LEU 108 N -0.12 0.00 0.06 0.00 3.38 -0.70 0.12 115.31 118.05 2qba h LEU 108 Ca -0.21 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2qba h LEU 108 Cb 1.91 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 2qba h LEU 108 CO 0.21 0.00 -0.20 0.58 0.09 0.00 0.00 178.44 179.12 2qba h VAL 109 N 0.00 0.54 -0.02 1.22 2.07 -0.92 -2.33 116.25 116.82 2qba h VAL 109 Ca 0.40 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.94 2qba h VAL 109 Cb 1.59 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2qba h VAL 109 CO -0.00 0.00 -0.12 -0.33 0.02 0.00 0.00 177.57 177.13 2qba h GLU 110 N -0.35 -0.19 -1.13 1.57 3.07 -0.89 -0.37 114.58 116.28 2qba h GLU 110 Ca 0.04 0.01 0.36 0.00 -0.50 0.00 0.00 59.36 59.28 2qba h GLU 110 Cb 0.40 0.04 -0.13 0.00 -0.84 0.00 0.00 28.75 28.22 2qba h GLU 110 CO -0.14 -0.13 0.69 -0.22 -1.40 0.00 0.00 179.01 177.81 2qba h LYS 111 N -0.20 0.21 0.14 2.33 1.63 -1.16 0.39 116.57 119.90 2qba h LYS 111 Ca 0.05 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 2qba h LYS 111 Cb 0.27 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2qba h LYS 111 CO -0.13 0.14 -0.07 0.00 -3.45 0.00 0.00 179.45 175.94 2qba h ALA 112 N 1.73 -0.23 -0.90 5.00 0.00 -0.78 -3.09 119.26 120.99 2qba h ALA 112 Ca 0.75 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.72 2qba h ALA 112 Cb 2.04 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 19.79 2qba h ALA 112 CO -0.50 -0.22 -0.54 0.87 0.00 0.00 0.00 179.25 178.86 2qba h LYS 113 N -0.80 -0.06 -0.14 0.00 1.57 0.28 0.18 116.57 117.60 2qba h LYS 113 Ca -0.02 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2qba h LYS 113 Cb 0.14 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2qba h LYS 113 CO 0.03 -0.04 -0.34 0.00 -0.57 0.00 0.00 179.45 178.53 2qba h ALA 114 N 0.58 -0.67 -0.54 3.86 0.00 -0.45 0.29 119.26 122.32 2qba h ALA 114 Ca 0.18 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.22 2qba h ALA 114 Cb 0.47 0.89 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2qba h ALA 114 CO -0.89 -0.81 0.52 0.00 0.00 0.00 0.00 179.25 178.07 2qba h ALA 115 N -0.67 2.31 -0.27 0.00 0.00 -1.24 0.41 119.26 119.80 2qba h ALA 115 Ca 0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2qba h ALA 115 Cb 0.40 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 2qba h ALA 115 CO -0.30 -0.79 0.18 1.28 0.00 0.00 0.00 179.25 179.62 2qba n LEU 116 N -3.82 4.21 0.00 0.00 4.77 0.99 -4.88 117.00 118.27 2qba n LEU 116 Ca 0.10 -2.15 0.00 0.00 -0.03 0.00 0.00 56.01 53.93 2qba n LEU 116 Cb 0.73 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2qba n LEU 116 CO 0.30 0.70 0.00 0.00 -1.33 0.00 0.00 177.39 177.05