#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb s GLN 4 N 0.00 4.59 0.10 1.20 0.74 -1.26 -4.61 119.66 120.41 2qbb s GLN 4 Ca 0.00 1.21 0.07 0.00 0.05 0.00 0.00 55.36 56.69 2qbb s GLN 4 Cb 0.00 -3.16 -0.03 0.00 1.10 0.00 0.00 33.01 30.91 2qbb s GLN 4 CO 0.00 0.51 -0.18 0.71 -0.55 0.00 0.00 175.29 175.78 2qbb s TYR 5 N -1.26 1.59 -0.08 1.67 4.12 0.48 -5.00 117.35 118.88 2qbb s TYR 5 Ca 0.39 -0.45 0.02 0.00 0.02 0.00 0.00 57.07 57.05 2qbb s TYR 5 Cb -0.22 -0.86 0.01 0.00 -1.52 0.00 0.00 41.96 39.37 2qbb s TYR 5 CO 0.26 0.17 -0.12 -0.47 0.02 0.00 0.00 175.55 175.41 2qbb s TYR 6 N -1.37 1.51 -0.17 2.71 6.14 -1.26 -0.39 117.35 124.52 2qbb s TYR 6 Ca 0.05 -0.60 0.01 0.00 0.64 0.00 0.00 57.07 57.16 2qbb s TYR 6 Cb -0.09 -1.13 0.01 0.00 0.42 0.00 0.00 41.96 41.17 2qbb s TYR 6 CO 0.04 -0.33 -0.18 0.20 0.64 0.00 0.00 175.55 175.91 2qbb s GLY 7 N 0.84 1.41 0.00 8.97 0.00 0.10 -4.56 107.32 114.08 2qbb s GLY 7 Ca -0.11 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.43 2qbb s GLY 7 CO 0.02 0.22 0.00 -1.30 0.00 0.00 0.00 173.10 172.04 2qbb n THR 8 N 4.50 0.00 -0.52 0.90 -2.24 -1.26 -1.41 114.28 114.25 2qbb n THR 8 Ca -0.20 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2qbb n THR 8 Cb 0.50 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 2qbb n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbb n GLY 9 N 0.14 -3.78 3.60 3.38 0.00 -1.26 -3.58 105.19 103.69 2qbb n GLY 9 Ca 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 45.13 2qbb n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbb s ARG 10 N -3.64 0.32 -0.27 1.61 1.70 -1.25 -1.07 118.95 116.35 2qbb s ARG 10 Ca 0.00 -0.03 -0.26 0.00 -0.47 0.00 0.00 55.73 54.97 2qbb s ARG 10 Cb 0.00 0.15 0.15 0.00 -0.57 0.00 0.00 34.95 34.67 2qbb s ARG 10 CO 0.00 -0.12 1.16 -0.98 -1.08 0.00 0.00 175.30 174.28 2qbb s ARG 11 N -1.76 0.37 -0.92 3.89 1.70 -0.49 -4.74 118.95 117.00 2qbb s ARG 11 Ca 0.07 0.35 -0.06 0.00 -0.47 0.00 0.00 55.73 55.61 2qbb s ARG 11 Cb -0.01 0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 34.53 2qbb s ARG 11 CO -0.04 -0.06 0.78 1.63 -1.08 0.00 0.00 175.30 176.52 2qbb n LYS 12 N 1.69 -1.62 -2.62 3.89 5.02 -1.25 -2.22 118.16 121.06 2qbb n LYS 12 Ca -0.11 1.03 -0.09 0.00 -2.02 0.00 0.00 58.31 57.12 2qbb n LYS 12 Cb 0.57 -5.15 -0.01 0.00 -0.02 0.00 0.00 35.03 30.42 2qbb n LYS 12 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2qbb n SER 13 N -2.50 -2.63 -3.93 4.39 3.41 -1.26 -4.49 113.62 106.61 2qbb n SER 13 Ca -0.07 0.22 -0.30 0.00 -0.26 0.00 0.00 58.87 58.45 2qbb n SER 13 Cb 0.57 -2.29 -0.15 0.00 -0.26 0.00 0.00 64.21 62.08 2qbb n SER 13 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2qbb s SER 14 N -2.12 4.13 -0.25 4.04 0.15 -0.94 -2.42 113.70 116.29 2qbb s SER 14 Ca 0.07 -1.49 -0.10 0.00 0.70 0.00 0.00 55.95 55.12 2qbb s SER 14 Cb -0.04 -1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.97 2qbb s SER 14 CO 0.08 -0.30 0.16 0.00 1.20 0.00 0.00 173.24 174.39 2qbb s ALA 15 N 1.30 3.55 0.25 5.45 0.00 -1.02 -1.39 121.76 129.90 2qbb s ALA 15 Ca 0.00 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.07 2qbb s ALA 15 Cb -0.19 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2qbb s ALA 15 CO -0.10 -0.33 0.09 0.00 0.00 0.00 0.00 175.76 175.42 2qbb s ALA 16 N 1.33 3.35 -0.26 0.00 0.00 -0.23 -1.88 121.76 124.08 2qbb s ALA 16 Ca 0.07 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 50.46 2qbb s ALA 16 Cb -0.15 -1.02 0.09 0.00 0.00 0.00 0.00 23.12 22.04 2qbb s ALA 16 CO 0.07 0.27 0.13 1.03 0.00 0.00 0.00 175.76 177.26 2qbb s ARG 17 N -3.70 0.16 0.09 0.00 0.52 0.17 -4.19 118.95 112.00 2qbb s ARG 17 Ca 0.32 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 2qbb s ARG 17 Cb -0.07 -1.31 -0.04 0.00 0.52 0.00 0.00 34.95 34.05 2qbb s ARG 17 CO 0.22 -0.92 0.09 0.08 0.02 0.00 0.00 175.30 174.79 2qbb s VAL 18 N 2.13 4.54 -0.60 3.52 1.01 -0.50 0.45 120.40 130.94 2qbb s VAL 18 Ca 0.07 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2qbb s VAL 18 Cb -0.16 -3.21 0.16 0.00 0.00 0.00 0.00 36.38 33.18 2qbb s VAL 18 CO -0.29 0.09 0.42 -0.36 0.00 0.00 0.00 175.10 174.96 2qbb s PHE 19 N -1.45 2.77 -0.06 5.22 0.08 0.77 0.03 117.98 125.32 2qbb s PHE 19 Ca 0.30 -2.99 -0.31 0.00 0.12 0.00 0.00 56.93 54.04 2qbb s PHE 19 Cb -0.12 -2.17 -0.10 0.00 -0.57 0.00 0.00 43.02 40.07 2qbb s PHE 19 CO 0.22 -0.65 1.99 -0.89 -0.10 0.00 0.00 175.22 175.80 2qbb n ILE 20 N 2.38 0.62 -4.04 0.64 -0.00 0.48 -1.40 119.36 118.04 2qbb n ILE 20 Ca 0.21 -0.18 -0.11 0.00 -0.00 0.00 0.00 62.75 62.67 2qbb n ILE 20 Cb 0.38 -2.17 -0.11 0.00 -0.00 0.00 0.00 39.64 37.74 2qbb n ILE 20 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2qbb s LYS 21 N 4.70 0.47 -0.78 0.38 2.20 0.89 -0.38 119.74 127.21 2qbb s LYS 21 Ca 0.93 -0.77 -0.07 0.00 -0.36 0.00 0.00 55.97 55.70 2qbb s LYS 21 Cb -0.53 -0.10 -0.06 0.00 -1.51 0.00 0.00 37.83 35.62 2qbb s LYS 21 CO 0.45 -0.00 1.95 -0.35 -0.36 0.00 0.00 175.35 177.04 2qbb n PRO 22 N 1.33 1.75 -2.39 4.03 -0.04 -1.26 0.16 135.00 138.58 2qbb n PRO 22 Ca -0.22 -1.38 -0.33 0.00 -0.04 0.00 0.00 63.50 61.53 2qbb n PRO 22 Cb 0.56 -2.45 0.01 0.00 -0.04 0.00 0.00 33.50 31.57 2qbb n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qbb n GLY 23 N 3.89 5.81 5.00 0.55 0.00 -1.26 -4.70 105.19 114.49 2qbb n GLY 23 Ca 0.40 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.76 2qbb n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qbb n ASN 24 N -0.41 0.00 0.00 1.61 6.94 -1.26 -2.68 115.26 119.46 2qbb n ASN 24 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.99 2qbb n ASN 24 Cb 0.44 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 2qbb n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qbb n GLY 25 N 0.00 0.00 3.85 4.83 0.00 -0.71 0.14 105.19 113.31 2qbb n GLY 25 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2qbb n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbb s LYS 26 N 0.00 3.94 -0.18 1.61 2.20 -1.09 -4.52 119.74 121.70 2qbb s LYS 26 Ca 0.00 0.71 -0.02 0.00 -0.36 0.00 0.00 55.97 56.31 2qbb s LYS 26 Cb 0.00 -2.32 0.05 0.00 -1.51 0.00 0.00 37.83 34.05 2qbb s LYS 26 CO 0.00 -0.03 0.01 0.42 -0.36 0.00 0.00 175.35 175.39 2qbb s ILE 27 N -2.29 0.73 -0.50 5.43 1.09 -1.26 -2.77 121.20 121.63 2qbb s ILE 27 Ca 0.55 -0.60 0.03 0.00 -1.10 0.00 0.00 60.65 59.54 2qbb s ILE 27 Cb -0.10 -1.13 0.14 0.00 -1.06 0.00 0.00 42.46 40.31 2qbb s ILE 27 CO 0.25 -0.10 0.29 -0.69 -0.10 0.00 0.00 174.94 174.58 2qbb s VAL 28 N 1.77 1.89 -0.11 2.92 1.01 -1.25 -2.40 120.40 124.24 2qbb s VAL 28 Ca -0.01 -3.03 -0.24 0.00 0.00 0.00 0.00 61.98 58.70 2qbb s VAL 28 Cb -0.17 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2qbb s VAL 28 CO -0.07 -0.90 0.73 -0.63 0.00 0.00 0.00 175.10 174.22 2qbb s ILE 29 N -0.11 5.00 -1.68 2.22 1.01 -0.60 -2.22 121.20 124.82 2qbb s ILE 29 Ca 0.19 1.47 -0.13 0.00 0.00 0.00 0.00 60.65 62.18 2qbb s ILE 29 Cb -0.20 -4.06 0.12 0.00 0.01 0.00 0.00 42.46 38.33 2qbb s ILE 29 CO -0.03 0.17 0.50 0.59 0.00 0.00 0.00 174.94 176.16 2qbb n ASN 30 N 4.36 -1.43 -1.90 3.58 5.03 -0.02 0.39 115.26 125.27 2qbb n ASN 30 Ca 0.00 -1.14 -0.15 0.00 0.87 0.00 0.00 54.58 54.16 2qbb n ASN 30 Cb 0.50 -2.20 0.01 0.00 -1.02 0.00 0.00 39.78 37.07 2qbb n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qbb n GLN 31 N -4.34 -2.15 -4.39 3.52 6.02 -1.26 -5.01 117.38 109.77 2qbb n GLN 31 Ca -0.07 0.68 -0.20 0.00 -0.01 0.00 0.00 57.00 57.41 2qbb n GLN 31 Cb 0.56 -5.00 -0.09 0.00 1.02 0.00 0.00 30.24 26.73 2qbb n GLN 31 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2qbb s ARG 32 N -5.00 1.64 0.61 -1.09 0.52 0.16 -5.11 118.95 110.68 2qbb s ARG 32 Ca 0.09 -1.94 -0.09 0.00 -0.52 0.00 0.00 55.73 53.27 2qbb s ARG 32 Cb -0.04 -0.37 -0.02 0.00 0.52 0.00 0.00 34.95 35.04 2qbb s ARG 32 CO 0.11 -0.38 0.98 0.45 0.02 0.00 0.00 175.30 176.49 2qbb s SER 33 N -3.43 5.95 0.01 0.23 0.15 -1.26 -1.55 113.70 113.80 2qbb s SER 33 Ca 0.34 1.15 -0.06 0.00 0.70 0.00 0.00 55.95 58.08 2qbb s SER 33 Cb 0.06 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 2qbb s SER 33 CO 0.16 -0.96 1.09 0.25 1.20 0.00 0.00 173.24 174.98 2qbb h LEU 34 N -0.28 -0.23 -2.35 3.45 5.85 -1.86 -1.92 115.31 117.97 2qbb h LEU 34 Ca -0.45 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2qbb h LEU 34 Cb 1.22 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2qbb h LEU 34 CO 0.62 -0.11 0.00 -0.62 -0.34 0.00 0.00 178.44 177.99 2qbb n GLU 35 N -2.80 0.80 -0.03 1.25 4.71 -1.26 -3.02 120.64 120.30 2qbb n GLU 35 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.05 2qbb n GLU 35 Cb 0.08 -1.10 -0.03 0.00 -1.01 0.00 0.00 31.44 29.38 2qbb n GLU 35 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2qbb n GLN 36 N 0.89 0.22 0.18 3.49 -0.06 -0.74 -2.99 117.38 118.37 2qbb n GLN 36 Ca 0.00 0.09 0.07 0.00 -2.00 0.00 0.00 57.00 55.17 2qbb n GLN 36 Cb 0.40 -0.88 0.10 0.00 -4.06 0.00 0.00 30.24 25.80 2qbb n GLN 36 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 2qbb h TYR 37 N -0.40 0.00 0.00 3.69 3.20 -1.50 -3.31 116.97 118.65 2qbb h TYR 37 Ca -0.16 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2qbb h TYR 37 Cb 0.87 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.14 2qbb h TYR 37 CO -0.10 0.24 -0.07 1.19 -1.64 0.00 0.00 178.16 177.78 2qbb n PHE 38 N -3.14 0.00 -1.50 -3.82 0.99 -1.17 -5.05 117.46 103.78 2qbb n PHE 38 Ca 0.03 -0.21 -0.41 0.00 -0.00 0.00 0.00 57.45 56.86 2qbb n PHE 38 Cb 0.63 -0.03 0.01 0.00 -1.00 0.00 0.00 39.48 39.09 2qbb n PHE 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qbb n GLY 39 N -0.24 -1.14 4.36 1.37 0.00 -1.16 -2.43 105.19 105.94 2qbb n GLY 39 Ca 0.01 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2qbb n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbb n ARG 40 N 0.34 -1.43 -3.80 1.61 0.63 -1.26 -4.91 116.66 107.85 2qbb n ARG 40 Ca 0.11 0.19 -0.13 0.00 -0.92 0.00 0.00 57.85 57.10 2qbb n ARG 40 Cb 0.41 -4.37 -0.12 0.00 0.45 0.00 0.00 32.46 28.83 2qbb n ARG 40 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2qbb s GLU 41 N -7.18 0.29 0.00 -0.14 2.02 -1.02 -5.01 118.70 107.66 2qbb s GLU 41 Ca 0.45 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.72 2qbb s GLU 41 Cb -0.26 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.11 2qbb s GLU 41 CO 0.99 -0.04 0.05 -2.37 0.02 0.00 0.00 175.26 173.91 2qbb n THR 42 N 2.84 0.00 -0.07 3.63 5.66 -1.26 -3.00 114.28 122.07 2qbb n THR 42 Ca -0.13 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.78 2qbb n THR 42 Cb 0.58 -0.28 -0.05 0.00 -1.55 0.00 0.00 70.33 69.04 2qbb n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qbb h ALA 43 N 1.11 0.06 0.00 1.79 0.00 -1.95 -3.37 119.26 116.89 2qbb h ALA 43 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2qbb h ALA 43 Cb 0.01 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qbb h ALA 43 CO 0.00 0.39 0.09 2.89 0.00 0.00 0.00 179.25 182.62 2qbb n ARG 44 N -4.61 0.00 0.07 0.00 1.85 -1.16 -1.09 116.66 111.71 2qbb n ARG 44 Ca -0.12 0.27 -0.23 0.00 -1.00 0.00 0.00 57.85 56.78 2qbb n ARG 44 Cb 0.32 -1.59 -0.15 0.00 -1.05 0.00 0.00 32.46 30.00 2qbb n ARG 44 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qbb h MET 45 N 0.00 0.37 -0.05 2.89 -0.00 -1.78 -3.24 114.93 113.12 2qbb h MET 45 Ca 0.00 -0.64 -0.03 0.00 -0.00 0.00 0.00 59.70 59.03 2qbb h MET 45 Cb 0.18 0.24 -0.01 0.00 -0.00 0.00 0.00 31.60 32.01 2qbb h MET 45 CO 0.00 1.31 -0.10 -0.39 -0.00 0.00 0.00 176.91 177.72 2qbb h VAL 46 N -0.05 1.11 0.00 -0.10 -1.51 -1.29 -0.73 116.25 113.67 2qbb h VAL 46 Ca -0.30 -0.48 -0.07 0.00 -1.23 0.00 0.00 66.70 64.63 2qbb h VAL 46 Cb 1.97 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 32.31 2qbb h VAL 46 CO 0.16 0.14 -0.32 -0.37 -1.23 0.00 0.00 177.57 175.96 2qbb h VAL 47 N 0.07 0.71 0.00 7.19 -1.51 -1.65 -2.95 116.25 118.11 2qbb h VAL 47 Ca 0.02 -1.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.07 2qbb h VAL 47 Cb 0.23 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2qbb h VAL 47 CO 0.01 0.31 -0.65 0.03 -1.23 0.00 0.00 177.57 176.05 2qbb h ARG 48 N 0.00 0.00 -0.48 5.19 3.08 -1.18 -3.37 114.38 117.61 2qbb h ARG 48 Ca -0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.14 2qbb h ARG 48 Cb 0.89 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.86 2qbb h ARG 48 CO 0.04 0.00 -0.06 1.96 -1.07 0.00 0.00 179.97 180.84 2qbb h GLN 49 N 0.00 0.05 0.00 0.04 4.20 -1.17 1.24 115.11 119.47 2qbb h GLN 49 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qbb h GLN 49 Cb 0.99 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2qbb h GLN 49 CO 0.00 0.04 0.00 -0.35 -0.67 0.00 0.00 178.83 177.85 2qbb n PRO 50 N -5.29 0.26 0.00 1.46 -0.04 -1.26 -2.19 135.00 127.95 2qbb n PRO 50 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2qbb n PRO 50 Cb 0.26 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2qbb n PRO 50 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2qbb n LEU 51 N -0.75 0.97 0.00 1.53 4.77 0.18 -4.39 117.00 119.31 2qbb n LEU 51 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2qbb n LEU 51 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2qbb n LEU 51 CO 0.02 0.16 0.49 -0.62 -1.33 0.00 0.00 177.39 176.11 2qbb n GLU 52 N -2.83 0.00 -0.06 3.23 -0.58 0.37 0.13 120.64 120.90 2qbb n GLU 52 Ca 0.00 0.43 -0.04 0.00 -0.42 0.00 0.00 57.16 57.13 2qbb n GLU 52 Cb 0.49 -1.55 -0.11 0.00 -0.57 0.00 0.00 31.44 29.70 2qbb n GLU 52 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2qbb n LEU 53 N -1.43 0.00 -0.52 -4.62 -0.00 -1.05 -4.54 117.00 104.84 2qbb n LEU 53 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 2qbb n LEU 53 Cb 0.05 0.27 0.09 0.00 -0.00 0.00 0.00 43.42 43.83 2qbb n LEU 53 CO 0.00 0.27 0.50 1.33 -0.00 0.00 0.00 177.39 179.50 2qbb n VAL 54 N -2.42 0.38 -1.03 1.96 0.24 -0.14 -5.09 118.33 112.23 2qbb n VAL 54 Ca -0.19 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 2qbb n VAL 54 Cb 0.84 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 2qbb n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2qbb n ASP 55 N 0.58 -5.89 0.00 -1.34 8.00 0.35 -5.03 116.55 113.22 2qbb n ASP 55 Ca 0.08 0.71 0.00 0.00 0.71 0.00 0.00 54.79 56.29 2qbb n ASP 55 Cb 0.33 -2.31 0.00 0.00 -0.02 0.00 0.00 41.12 39.12 2qbb n ASP 55 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 2qbb n MET 56 N 0.17 0.00 0.00 -1.24 0.00 -1.25 -4.70 117.12 110.10 2qbb n MET 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2qbb n MET 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2qbb n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2qbb n VAL 57 N 0.00 0.00 -1.66 3.17 0.31 -0.21 -4.03 118.33 115.91 2qbb n VAL 57 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2qbb n VAL 57 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 2qbb n VAL 57 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2qbb n GLU 58 N -0.60 0.36 0.00 5.55 0.00 0.07 -3.42 120.64 122.59 2qbb n GLU 58 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 57.16 55.86 2qbb n GLU 58 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 31.44 30.71 2qbb n GLU 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2qbb n LYS 59 N -0.32 0.34 -3.58 3.44 5.02 0.11 -4.90 118.16 118.28 2qbb n LYS 59 Ca 0.03 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.35 2qbb n LYS 59 Cb 0.66 -0.75 -0.00 0.00 -0.02 0.00 0.00 35.03 34.91 2qbb n LYS 59 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2qbb s LEU 60 N -3.75 -0.02 0.00 -0.35 2.34 0.38 -4.24 118.68 113.05 2qbb s LEU 60 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 54.13 54.16 2qbb s LEU 60 Cb 0.00 1.10 0.00 0.00 -0.56 0.00 0.00 46.19 46.73 2qbb s LEU 60 CO 0.00 -0.08 0.00 -0.90 -1.06 0.00 0.00 176.35 174.31 2qbb n ASP 61 N -0.42 1.86 -3.59 1.48 5.75 0.43 -1.73 116.55 120.33 2qbb n ASP 61 Ca -0.07 -0.36 -0.06 0.00 -0.01 0.00 0.00 54.79 54.29 2qbb n ASP 61 Cb 0.62 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.70 2qbb n ASP 61 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 2qbb s LEU 62 N 0.00 -0.28 -0.34 -2.12 -0.00 -1.12 -0.08 118.68 114.74 2qbb s LEU 62 Ca 0.00 -0.12 0.02 0.00 -0.00 0.00 0.00 54.13 54.02 2qbb s LEU 62 Cb 0.00 1.99 0.09 0.00 -0.00 0.00 0.00 46.19 48.28 2qbb s LEU 62 CO 0.00 -0.66 0.06 -0.47 -0.00 0.00 0.00 176.35 175.28 2qbb s TYR 63 N -3.09 3.62 0.19 3.48 5.04 -0.49 -3.79 117.35 122.30 2qbb s TYR 63 Ca 0.08 -2.67 -0.13 0.00 -2.44 0.00 0.00 57.07 51.91 2qbb s TYR 63 Cb -0.01 -2.80 -0.07 0.00 0.35 0.00 0.00 41.96 39.43 2qbb s TYR 63 CO -0.05 -0.93 0.56 0.42 -1.34 0.00 0.00 175.55 174.20 2qbb s ILE 64 N 1.02 4.88 -0.30 3.14 1.09 -0.94 -0.17 121.20 129.92 2qbb s ILE 64 Ca 0.06 0.70 0.01 0.00 -1.10 0.00 0.00 60.65 60.32 2qbb s ILE 64 Cb -0.20 -3.68 0.19 0.00 -1.06 0.00 0.00 42.46 37.71 2qbb s ILE 64 CO -0.06 0.11 0.59 -0.89 -0.10 0.00 0.00 174.94 174.59 2qbb s THR 65 N -1.62 -0.99 0.12 2.92 2.01 0.17 -0.84 115.64 117.41 2qbb s THR 65 Ca 0.42 -0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.48 2qbb s THR 65 Cb -0.13 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 2qbb s THR 65 CO 0.20 -0.00 -0.14 0.54 -0.69 0.00 0.00 174.62 174.52 2qbb s VAL 66 N 2.85 1.32 0.07 3.82 0.11 -1.26 0.44 120.40 127.75 2qbb s VAL 66 Ca 0.18 -1.69 -0.10 0.00 -2.93 0.00 0.00 61.98 57.44 2qbb s VAL 66 Cb -0.14 -1.51 0.00 0.00 -1.53 0.00 0.00 36.38 33.21 2qbb s VAL 66 CO -0.22 -0.40 0.21 -0.54 -3.33 0.00 0.00 175.10 170.81 2qbb s LYS 67 N -2.61 0.81 0.17 1.54 3.01 -0.79 -4.92 119.74 116.95 2qbb s LYS 67 Ca 0.08 -0.82 0.00 0.00 -1.01 0.00 0.00 55.97 54.22 2qbb s LYS 67 Cb -0.05 0.33 0.00 0.00 -1.01 0.00 0.00 37.83 37.10 2qbb s LYS 67 CO 0.03 -0.25 0.00 0.41 0.51 0.00 0.00 175.35 176.05 2qbb n GLY 68 N 0.19 -3.74 0.00 -3.33 0.00 -1.26 -2.42 105.19 94.63 2qbb n GLY 68 Ca -0.16 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2qbb n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbb n GLY 69 N -0.64 0.27 0.00 -0.02 0.00 -1.01 -3.83 105.19 99.95 2qbb n GLY 69 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2qbb n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbb n GLY 70 N 0.00 4.08 0.16 -0.02 0.00 -1.26 -4.93 105.19 103.22 2qbb n GLY 70 Ca 0.00 -1.66 -0.06 0.00 0.00 0.00 0.00 46.02 44.30 2qbb n GLY 70 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbb h ILE 71 N 0.96 0.00 -0.49 -0.61 5.03 -1.98 1.14 117.51 121.56 2qbb h ILE 71 Ca 0.00 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.81 2qbb h ILE 71 Cb 0.00 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 33.76 2qbb h ILE 71 CO 0.00 0.00 0.33 0.77 -0.68 0.00 0.00 178.15 178.57 2qbb h SER 72 N -0.33 0.32 0.30 1.72 4.64 -1.98 -0.35 113.55 117.87 2qbb h SER 72 Ca -0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2qbb h SER 72 Cb 0.28 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2qbb h SER 72 CO -0.03 0.21 -0.14 1.23 -0.87 0.00 0.00 176.83 177.23 2qbb h GLY 73 N 0.36 -0.42 0.43 -0.77 0.00 -1.74 -0.54 103.07 100.40 2qbb h GLY 73 Ca 0.22 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 2qbb h GLY 73 CO -0.05 -0.15 -0.52 1.46 0.00 0.00 0.00 176.54 177.28 2qbb h GLN 74 N -0.65 -0.93 -0.29 4.80 7.50 0.20 0.22 115.11 125.96 2qbb h GLN 74 Ca -0.04 0.06 0.05 0.00 0.50 0.00 0.00 58.65 59.22 2qbb h GLN 74 Cb 0.46 0.21 -0.08 0.00 0.05 0.00 0.00 27.48 28.12 2qbb h GLN 74 CO 0.07 -0.62 -0.49 0.00 -1.50 0.00 0.00 178.83 176.28 2qbb h ALA 75 N -0.82 -0.67 -0.69 3.87 0.00 -1.13 0.36 119.26 120.19 2qbb h ALA 75 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2qbb h ALA 75 Cb 0.86 0.97 -0.07 0.00 0.00 0.00 0.00 17.79 19.55 2qbb h ALA 75 CO -0.11 -0.98 0.35 0.78 0.00 0.00 0.00 179.25 179.29 2qbb h GLY 76 N -0.44 1.03 0.83 0.00 0.00 -0.98 -2.00 103.07 101.51 2qbb h GLY 76 Ca 0.08 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.21 2qbb h GLY 76 CO -0.52 0.08 0.21 0.00 0.00 0.00 0.00 176.54 176.31 2qbb h ALA 77 N 1.41 0.49 -0.59 3.60 0.00 0.07 -2.53 119.26 121.70 2qbb h ALA 77 Ca 0.33 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.31 2qbb h ALA 77 Cb 0.32 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2qbb h ALA 77 CO -0.25 -0.15 0.31 0.82 0.00 0.00 0.00 179.25 179.99 2qbb h ILE 78 N 0.42 0.95 -0.42 0.00 2.04 -0.27 -0.02 117.51 120.20 2qbb h ILE 78 Ca 0.16 -0.20 0.12 0.00 1.00 0.00 0.00 64.86 65.95 2qbb h ILE 78 Cb 0.06 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 2qbb h ILE 78 CO -0.10 0.11 0.36 -0.09 0.00 0.00 0.00 178.15 178.43 2qbb h ARG 79 N 0.58 0.00 0.08 2.37 2.43 -0.96 0.75 114.38 119.63 2qbb h ARG 79 Ca 0.27 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2qbb h ARG 79 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2qbb h ARG 79 CO -0.18 0.00 -0.04 1.25 -1.51 0.00 0.00 179.97 179.49 2qbb h HIS 80 N 0.00 -0.10 -1.00 2.20 2.76 -0.87 -2.73 115.15 115.41 2qbb h HIS 80 Ca 0.20 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.50 2qbb h HIS 80 Cb 0.93 0.03 -0.09 0.00 1.55 0.00 0.00 27.41 29.83 2qbb h HIS 80 CO 0.00 0.30 0.63 0.78 -1.30 0.00 0.00 177.93 178.34 2qbb h GLY 81 N -0.97 1.63 0.39 5.26 0.00 -0.69 0.14 103.07 108.83 2qbb h GLY 81 Ca -0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 2qbb h GLY 81 CO 0.02 0.14 -0.19 -2.22 0.00 0.00 0.00 176.54 174.28 2qbb h ILE 82 N 0.96 0.00 -0.70 2.60 2.04 -0.98 0.74 117.51 122.18 2qbb h ILE 82 Ca 0.50 -0.03 0.19 0.00 1.00 0.00 0.00 64.86 66.53 2qbb h ILE 82 Cb 0.54 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 2qbb h ILE 82 CO -0.27 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.37 2qbb h THR 83 N -0.55 0.68 -0.18 -0.27 1.03 -1.26 0.12 112.91 112.46 2qbb h THR 83 Ca -0.05 -0.02 -0.10 0.00 -0.01 0.00 0.00 66.41 66.22 2qbb h THR 83 Cb 0.41 0.60 -0.00 0.00 -1.07 0.00 0.00 68.15 68.08 2qbb h THR 83 CO 0.09 0.01 -0.28 0.03 -0.01 0.00 0.00 175.52 175.37 2qbb h ARG 84 N 0.07 0.51 -0.34 0.00 2.47 -0.55 -3.15 114.38 113.40 2qbb h ARG 84 Ca 0.33 -0.30 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 2qbb h ARG 84 Cb 1.23 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.56 2qbb h ARG 84 CO -0.03 0.90 0.02 0.00 0.56 0.00 0.00 179.97 181.43 2qbb h ALA 85 N 0.60 1.41 -0.36 0.04 0.00 0.11 -2.10 119.26 118.96 2qbb h ALA 85 Ca 0.02 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.85 2qbb h ALA 85 Cb 0.85 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2qbb h ALA 85 CO 0.06 0.42 0.52 -0.07 0.00 0.00 0.00 179.25 180.19 2qbb h LEU 86 N 0.50 0.00 -1.04 0.00 4.07 -1.19 0.58 115.31 118.22 2qbb h LEU 86 Ca 0.11 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.98 2qbb h LEU 86 Cb 0.29 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 2qbb h LEU 86 CO 0.01 0.00 -0.43 -0.03 -1.08 0.00 0.00 178.44 176.91 2qbb h MET 87 N 0.00 0.00 0.00 1.13 1.85 -1.49 0.19 114.93 116.61 2qbb h MET 87 Ca 0.17 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.26 2qbb h MET 87 Cb 1.21 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.24 2qbb h MET 87 CO -0.00 0.43 0.00 0.93 -0.40 0.00 0.00 176.91 177.87 2qbb h GLU 88 N 0.00 0.00 0.00 0.39 5.08 0.02 -2.99 114.58 117.08 2qbb h GLU 88 Ca -0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.95 2qbb h GLU 88 Cb 0.85 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.03 2qbb h GLU 88 CO 0.06 0.00 -2.47 0.98 -1.00 0.00 0.00 179.01 176.57 2qbb n TYR 89 N -2.51 0.00 -3.29 4.33 9.36 -0.83 -4.92 117.16 119.30 2qbb n TYR 89 Ca 0.03 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.16 2qbb n TYR 89 Cb 0.31 -0.98 -0.05 0.00 -0.63 0.00 0.00 39.34 37.99 2qbb n TYR 89 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2qbb s ASP 90 N -6.72 0.15 0.00 2.98 3.68 0.59 -5.01 116.67 112.34 2qbb s ASP 90 Ca -0.35 -0.65 0.17 0.00 2.13 0.00 0.00 52.55 53.84 2qbb s ASP 90 Cb 0.10 1.17 0.99 0.00 -1.45 0.00 0.00 42.92 43.74 2qbb s ASP 90 CO 0.56 -0.31 1.41 -0.62 0.13 0.00 0.00 175.17 176.34 2qbb n GLU 91 N 5.00 0.59 -0.16 4.34 -0.58 -1.13 -2.94 120.64 125.74 2qbb n GLU 91 Ca 0.05 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.87 2qbb n GLU 91 Cb 0.50 -1.44 0.17 0.00 -0.57 0.00 0.00 31.44 30.10 2qbb n GLU 91 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2qbb n SER 92 N -0.94 3.03 -0.00 1.62 7.64 -1.26 -4.44 113.62 119.26 2qbb n SER 92 Ca 0.12 -1.89 0.04 0.00 1.01 0.00 0.00 58.87 58.15 2qbb n SER 92 Cb 0.06 -0.22 -0.05 0.00 -1.01 0.00 0.00 64.21 62.99 2qbb n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qbb n LEU 93 N 1.01 0.33 0.29 -3.43 -0.00 -1.15 -4.53 117.00 109.52 2qbb n LEU 93 Ca 0.15 -0.44 0.15 0.00 -0.00 0.00 0.00 56.01 55.87 2qbb n LEU 93 Cb 0.48 0.00 0.90 0.00 -0.00 0.00 0.00 43.42 44.81 2qbb n LEU 93 CO 0.11 0.08 1.10 0.03 -0.00 0.00 0.00 177.39 178.72 2qbb h ARG 94 N 0.00 0.00 -0.73 1.47 3.08 -1.78 -2.74 114.38 113.69 2qbb h ARG 94 Ca 0.00 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.21 2qbb h ARG 94 Cb 0.21 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.14 2qbb h ARG 94 CO 0.00 0.02 0.07 1.03 -1.07 0.00 0.00 179.97 180.02 2qbb h SER 95 N 0.00 -0.20 0.63 7.04 0.87 -1.88 0.47 113.55 120.48 2qbb h SER 95 Ca -0.00 0.17 -0.17 0.00 -1.23 0.00 0.00 61.79 60.57 2qbb h SER 95 Cb 0.06 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2qbb h SER 95 CO 0.00 -0.12 -0.75 -0.33 -0.53 0.00 0.00 176.83 175.10 2qbb h GLU 96 N 0.16 0.10 -0.35 2.24 4.39 -1.83 -2.88 114.58 116.42 2qbb h GLU 96 Ca 0.40 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.91 2qbb h GLU 96 Cb 0.70 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2qbb h GLU 96 CO -0.59 0.80 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.81 2qbb h LEU 97 N 0.06 0.76 0.45 1.33 3.38 -0.94 -1.69 115.31 118.66 2qbb h LEU 97 Ca -0.02 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 2qbb h LEU 97 Cb 1.33 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2qbb h LEU 97 CO 0.11 1.01 -0.26 -0.09 0.09 0.00 0.00 178.44 179.29 2qbb h ARG 98 N 0.51 -0.64 -0.85 1.13 2.43 -0.17 -2.43 114.38 114.36 2qbb h ARG 98 Ca 0.07 0.04 0.23 0.00 -0.81 0.00 0.00 59.98 59.52 2qbb h ARG 98 Cb 0.73 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 2qbb h ARG 98 CO 0.05 -0.43 0.60 1.57 -1.51 0.00 0.00 179.97 180.26 2qbb h LYS 99 N -0.66 0.09 -0.57 0.20 2.10 -1.58 0.45 116.57 116.59 2qbb h LYS 99 Ca -0.06 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2qbb h LYS 99 Cb 0.53 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2qbb h LYS 99 CO 0.07 0.06 0.00 0.00 -2.00 0.00 0.00 179.45 177.58 2qbb n ALA 100 N -2.66 2.67 -2.67 0.07 0.00 -0.63 -4.93 120.51 112.36 2qbb n ALA 100 Ca 0.18 -0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.15 2qbb n ALA 100 Cb 0.86 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 19.31 2qbb n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbb n GLY 101 N 0.44 -1.23 2.09 0.00 0.00 0.16 -5.00 105.19 101.65 2qbb n GLY 101 Ca 0.06 1.06 0.00 0.00 0.00 0.00 0.00 46.02 47.15 2qbb n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbb n PHE 102 N -0.36 -3.01 -0.05 1.61 3.01 -0.95 -4.92 117.46 112.79 2qbb n PHE 102 Ca 0.10 0.75 0.15 0.00 1.01 0.00 0.00 57.45 59.46 2qbb n PHE 102 Cb 0.40 1.88 0.57 0.00 -0.01 0.00 0.00 39.48 42.32 2qbb n PHE 102 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 2qbb h VAL 103 N 0.00 0.83 -4.01 -4.37 -1.51 -1.81 -3.43 116.25 101.95 2qbb h VAL 103 Ca 0.00 -0.09 -0.54 0.00 -1.23 0.00 0.00 66.70 64.85 2qbb h VAL 103 Cb 0.00 0.56 0.11 0.00 -2.13 0.00 0.00 31.29 29.83 2qbb h VAL 103 CO 0.00 0.05 0.59 0.42 -1.23 0.00 0.00 177.57 177.40 2qbb s THR 104 N -5.25 2.40 -0.38 7.19 -4.23 -1.26 -4.99 115.64 109.11 2qbb s THR 104 Ca -0.07 0.31 -0.09 0.00 -1.18 0.00 0.00 61.69 60.66 2qbb s THR 104 Cb 0.20 -3.17 0.05 0.00 1.34 0.00 0.00 72.50 70.92 2qbb s THR 104 CO 0.74 0.01 0.20 -0.60 -0.54 0.00 0.00 174.62 174.43 2qbb s ARG 105 N -2.70 2.70 -0.82 3.99 3.00 -1.26 -5.01 118.95 118.84 2qbb s ARG 105 Ca 0.66 -1.23 -0.22 0.00 -1.00 0.00 0.00 55.73 53.94 2qbb s ARG 105 Cb -0.38 -3.68 -0.19 0.00 0.00 0.00 0.00 34.95 30.71 2qbb s ARG 105 CO 0.46 -0.77 2.36 -3.47 0.00 0.00 0.00 175.30 173.88 2qbb n ASP 106 N 4.92 0.98 -3.25 -2.12 4.64 -1.26 -4.77 116.55 115.70 2qbb n ASP 106 Ca -0.11 -1.13 -0.26 0.00 -1.38 0.00 0.00 54.79 51.91 2qbb n ASP 106 Cb 0.45 -1.35 -0.02 0.00 -1.04 0.00 0.00 41.12 39.15 2qbb n ASP 106 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2qbb n ALA 107 N 14.97 4.79 -2.56 -1.67 0.00 -1.26 -4.65 120.51 130.13 2qbb n ALA 107 Ca 0.52 -2.30 -0.23 0.00 0.00 0.00 0.00 53.44 51.43 2qbb n ALA 107 Cb 0.35 -3.11 -0.15 0.00 0.00 0.00 0.00 19.45 16.54 2qbb n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qbb s ARG 108 N 3.49 1.17 -0.06 0.00 0.52 -1.26 -5.13 118.95 117.68 2qbb s ARG 108 Ca 0.44 -0.58 -0.24 0.00 -0.52 0.00 0.00 55.73 54.83 2qbb s ARG 108 Cb 0.11 -1.15 0.05 0.00 0.52 0.00 0.00 34.95 34.49 2qbb s ARG 108 CO -0.02 0.31 0.53 -1.14 0.02 0.00 0.00 175.30 175.00 2qbb s GLN 109 N -0.50 0.87 0.34 3.54 -0.44 -1.26 -3.77 119.66 118.43 2qbb s GLN 109 Ca 0.05 0.16 -0.24 0.00 -2.50 0.00 0.00 55.36 52.84 2qbb s GLN 109 Cb -0.06 0.40 -0.16 0.00 -1.64 0.00 0.00 33.01 31.55 2qbb s GLN 109 CO -0.00 -0.25 0.26 0.28 0.50 0.00 0.00 175.29 176.08 2qbb n VAL 110 N 1.28 1.16 -3.11 1.34 0.31 -1.26 -4.90 118.33 113.15 2qbb n VAL 110 Ca -0.19 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.24 2qbb n VAL 110 Cb 0.57 -0.04 -0.05 0.00 -0.91 0.00 0.00 33.84 33.40 2qbb n VAL 110 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2qbb s GLU 111 N -1.04 4.41 0.26 5.55 2.56 -1.26 -5.04 118.70 124.14 2qbb s GLU 111 Ca 0.61 0.81 -0.29 0.00 0.00 0.00 0.00 54.97 56.10 2qbb s GLU 111 Cb -0.73 -3.42 -0.09 0.00 2.00 0.00 0.00 34.13 31.89 2qbb s GLU 111 CO 0.60 0.15 1.19 -0.98 -0.56 0.00 0.00 175.26 175.66 2qbb s ARG 112 N 0.52 4.52 0.19 4.30 1.70 -1.26 -4.82 118.95 124.09 2qbb s ARG 112 Ca 0.35 1.94 -0.30 0.00 -0.47 0.00 0.00 55.73 57.24 2qbb s ARG 112 Cb -0.18 -3.18 -0.09 0.00 -0.57 0.00 0.00 34.95 30.94 2qbb s ARG 112 CO 0.17 0.01 1.37 0.21 -1.08 0.00 0.00 175.30 175.98 2qbb s LYS 113 N -1.09 4.34 0.02 3.89 2.20 -1.26 -4.47 119.74 123.37 2qbb s LYS 113 Ca 0.49 2.13 -0.01 0.00 -0.36 0.00 0.00 55.97 58.22 2qbb s LYS 113 Cb -0.34 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 2qbb s LYS 113 CO 0.42 -0.35 0.14 0.15 -0.36 0.00 0.00 175.35 175.35 2qbb s LYS 114 N 0.17 3.22 0.59 4.03 3.01 -1.26 -4.85 119.74 124.65 2qbb s LYS 114 Ca 0.60 -0.45 -0.20 0.00 -1.01 0.00 0.00 55.97 54.90 2qbb s LYS 114 Cb -0.38 -2.95 -0.03 0.00 -1.01 0.00 0.00 37.83 33.45 2qbb s LYS 114 CO 0.37 0.64 1.29 1.55 0.51 0.00 0.00 175.35 179.71 2qbb n VAL 115 N 0.85 4.24 0.00 3.17 3.14 -1.26 -2.69 118.33 125.79 2qbb n VAL 115 Ca -0.10 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 2qbb n VAL 115 Cb 0.52 -1.54 0.00 0.00 -1.06 0.00 0.00 33.84 31.76 2qbb n VAL 115 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2qbb n GLY 116 N 0.88 2.39 0.92 7.55 0.00 -1.26 -4.98 105.19 110.69 2qbb n GLY 116 Ca 0.13 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 2qbb n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbb n LEU 117 N 0.00 0.00 0.00 0.99 4.77 -1.09 -4.79 117.00 116.88 2qbb n LEU 117 Ca 0.00 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2qbb n LEU 117 Cb 0.00 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2qbb n LEU 117 CO 0.00 -0.87 -0.20 -1.14 -1.33 0.00 0.00 177.39 173.85 2qbb n ARG 118 N -1.85 4.02 -2.71 3.23 0.63 0.93 -4.90 116.66 116.02 2qbb n ARG 118 Ca 0.04 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.90 2qbb n ARG 118 Cb 0.14 -0.68 0.10 0.00 0.45 0.00 0.00 32.46 32.47 2qbb n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2qbb n LYS 119 N -1.15 0.75 0.00 -0.14 4.81 -1.22 -4.91 118.16 116.30 2qbb n LYS 119 Ca 0.00 -1.54 0.00 0.00 -0.87 0.00 0.00 58.31 55.90 2qbb n LYS 119 Cb 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 35.03 34.34 2qbb n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbb n ALA 120 N 0.34 0.00 0.00 3.14 0.00 -1.26 -3.35 120.51 119.37 2qbb n ALA 120 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qbb n ALA 120 Cb 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2qbb n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbb n ARG 121 N -1.27 0.00 -1.53 0.00 5.12 -1.26 -4.72 116.66 113.00 2qbb n ARG 121 Ca 0.00 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.55 2qbb n ARG 121 Cb 0.00 -0.12 -0.08 0.00 -1.16 0.00 0.00 32.46 31.10 2qbb n ARG 121 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qbb n ARG 122 N -1.97 0.62 -3.21 5.56 0.63 -1.21 -4.82 116.66 112.26 2qbb n ARG 122 Ca 0.00 -0.02 -0.40 0.00 -0.92 0.00 0.00 57.85 56.51 2qbb n ARG 122 Cb 0.00 -2.69 -0.07 0.00 0.45 0.00 0.00 32.46 30.15 2qbb n ARG 122 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2qbb s ARG 123 N 8.56 4.16 0.24 -0.14 0.52 -1.26 -0.05 118.95 130.99 2qbb s ARG 123 Ca 1.13 0.44 -0.31 0.00 -0.52 0.00 0.00 55.73 56.46 2qbb s ARG 123 Cb -0.59 -3.59 -0.13 0.00 0.52 0.00 0.00 34.95 31.15 2qbb s ARG 123 CO 0.35 -0.22 1.40 -0.35 0.02 0.00 0.00 175.30 176.49 2qbb n PRO 124 N 5.05 2.01 -2.03 3.54 -0.04 -1.26 -4.92 135.00 137.35 2qbb n PRO 124 Ca -0.04 0.72 -0.41 0.00 -0.04 0.00 0.00 63.50 63.73 2qbb n PRO 124 Cb 0.50 -2.37 -0.02 0.00 -0.04 0.00 0.00 33.50 31.58 2qbb n PRO 124 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2qbb s GLN 125 N -0.46 4.29 -0.00 0.54 -2.07 -1.26 -4.91 119.66 115.79 2qbb s GLN 125 Ca 0.68 2.31 0.13 0.00 -1.82 0.00 0.00 55.36 56.66 2qbb s GLN 125 Cb -0.65 -3.04 -0.14 0.00 -1.09 0.00 0.00 33.01 28.08 2qbb s GLN 125 CO 0.50 -0.28 0.54 1.97 -1.32 0.00 0.00 175.29 176.71 2qbb n PHE 126 N 0.72 0.00 0.00 9.60 1.16 -1.26 -4.99 117.46 122.69 2qbb n PHE 126 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2qbb n PHE 126 Cb 0.41 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.27 2qbb n PHE 126 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2qbb n SER 127 N -1.33 0.00 -4.67 5.98 3.41 -1.26 -4.51 113.62 111.24 2qbb n SER 127 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 2qbb n SER 127 Cb 0.21 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 2qbb n SER 127 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2qbb s LYS 128 N 0.00 4.15 0.00 4.33 2.47 -1.26 -5.35 119.74 124.08 2qbb s LYS 128 Ca 0.00 2.54 0.24 0.00 -1.56 0.00 0.00 55.97 57.19 2qbb s LYS 128 Cb 0.00 -3.92 0.21 0.00 -1.46 0.00 0.00 37.83 32.66 2qbb s LYS 128 CO 0.00 -0.89 1.27 -2.13 0.16 0.00 0.00 175.35 173.76