#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan s GLN 4 N 0.00 3.71 0.26 1.20 0.74 -1.26 -4.48 119.66 119.82 2qan s GLN 4 Ca 0.00 0.09 0.06 0.00 0.05 0.00 0.00 55.36 55.57 2qan s GLN 4 Cb 0.00 -2.99 -0.05 0.00 1.10 0.00 0.00 33.01 31.06 2qan s GLN 4 CO 0.00 0.56 -0.07 0.71 -0.55 0.00 0.00 175.29 175.95 2qan s TYR 5 N -1.42 1.85 0.01 1.67 1.51 0.26 -4.97 117.35 116.26 2qan s TYR 5 Ca 0.33 -0.70 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 2qan s TYR 5 Cb -0.14 -1.02 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 2qan s TYR 5 CO 0.19 0.25 -0.07 -0.47 -1.11 0.00 0.00 175.55 174.34 2qan s TYR 6 N -3.06 0.59 -0.05 2.71 6.14 -1.26 -0.41 117.35 122.02 2qan s TYR 6 Ca 0.28 -0.23 -0.01 0.00 0.64 0.00 0.00 57.07 57.75 2qan s TYR 6 Cb 0.03 -0.37 0.03 0.00 0.42 0.00 0.00 41.96 42.07 2qan s TYR 6 CO 0.10 -0.03 0.01 0.20 0.64 0.00 0.00 175.55 176.47 2qan s GLY 7 N -0.62 0.35 0.00 8.97 0.00 0.11 -4.17 107.32 111.96 2qan s GLY 7 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.74 2qan s GLY 7 CO 0.00 0.93 0.00 -1.30 0.00 0.00 0.00 173.10 172.73 2qan n THR 8 N 4.72 0.00 -0.23 0.90 -2.24 -1.26 0.13 114.28 116.30 2qan n THR 8 Ca -0.15 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2qan n THR 8 Cb 0.50 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 2qan n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qan n GLY 9 N 0.96 -3.40 3.59 3.38 0.00 -1.26 -3.48 105.19 104.99 2qan n GLY 9 Ca 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 2qan n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qan s ARG 10 N -3.54 0.57 -0.23 1.61 1.70 -1.25 -1.51 118.95 116.30 2qan s ARG 10 Ca 0.00 0.27 -0.26 0.00 -0.47 0.00 0.00 55.73 55.26 2qan s ARG 10 Cb 0.00 0.27 0.07 0.00 -0.57 0.00 0.00 34.95 34.73 2qan s ARG 10 CO 0.00 -0.15 0.74 -0.98 -1.08 0.00 0.00 175.30 173.83 2qan s ARG 11 N -0.74 0.85 -1.22 3.89 1.70 -0.98 -4.78 118.95 117.67 2qan s ARG 11 Ca -0.01 0.82 -0.02 0.00 -0.47 0.00 0.00 55.73 56.05 2qan s ARG 11 Cb -0.02 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 2qan s ARG 11 CO -0.00 -0.14 0.85 1.63 -1.08 0.00 0.00 175.30 176.55 2qan n LYS 12 N 2.29 -4.94 -2.47 3.89 5.02 -1.26 -1.68 118.16 119.00 2qan n LYS 12 Ca -0.15 0.73 -0.17 0.00 -2.02 0.00 0.00 58.31 56.70 2qan n LYS 12 Cb 0.55 -5.46 -0.01 0.00 -0.02 0.00 0.00 35.03 30.09 2qan n LYS 12 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2qan n SER 13 N -3.08 -5.03 -4.12 4.39 3.41 -1.26 -4.60 113.62 103.32 2qan n SER 13 Ca -0.25 0.05 -0.36 0.00 -0.26 0.00 0.00 58.87 58.05 2qan n SER 13 Cb 0.66 -4.21 -0.12 0.00 -0.26 0.00 0.00 64.21 60.28 2qan n SER 13 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2qan s SER 14 N -2.09 5.17 -0.09 4.04 0.15 -0.68 -2.65 113.70 117.56 2qan s SER 14 Ca 0.02 -1.94 -0.25 0.00 0.70 0.00 0.00 55.95 54.48 2qan s SER 14 Cb -0.01 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.47 2qan s SER 14 CO 0.03 -0.49 0.77 0.00 1.20 0.00 0.00 173.24 174.75 2qan s ALA 15 N 1.14 3.36 0.11 5.45 0.00 -0.34 -2.32 121.76 129.16 2qan s ALA 15 Ca 0.07 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.24 2qan s ALA 15 Cb -0.22 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2qan s ALA 15 CO -0.04 -0.27 -0.15 0.00 0.00 0.00 0.00 175.76 175.30 2qan s ALA 16 N 1.19 1.50 -0.11 0.00 0.00 -0.57 0.28 121.76 124.06 2qan s ALA 16 Ca 0.39 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 2qan s ALA 16 Cb -0.18 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2qan s ALA 16 CO 0.18 0.14 -0.01 1.03 0.00 0.00 0.00 175.76 177.10 2qan s ARG 17 N -2.48 0.82 0.10 0.00 0.52 0.18 -4.08 118.95 114.01 2qan s ARG 17 Ca 0.07 -0.08 0.06 0.00 -0.52 0.00 0.00 55.73 55.27 2qan s ARG 17 Cb -0.06 -1.33 -0.04 0.00 0.52 0.00 0.00 34.95 34.04 2qan s ARG 17 CO 0.03 -0.36 -0.07 0.08 0.02 0.00 0.00 175.30 175.00 2qan s VAL 18 N 1.89 3.59 -0.46 3.52 1.01 0.12 0.95 120.40 131.01 2qan s VAL 18 Ca 0.04 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.88 2qan s VAL 18 Cb -0.13 -2.69 0.15 0.00 0.00 0.00 0.00 36.38 33.71 2qan s VAL 18 CO -0.06 0.12 0.29 -0.36 0.00 0.00 0.00 175.10 175.08 2qan s PHE 19 N -1.24 1.92 -0.04 5.22 0.08 -0.72 0.06 117.98 123.26 2qan s PHE 19 Ca 0.23 -2.45 -0.30 0.00 0.12 0.00 0.00 56.93 54.53 2qan s PHE 19 Cb -0.11 -1.74 -0.07 0.00 -0.57 0.00 0.00 43.02 40.53 2qan s PHE 19 CO 0.15 -0.76 1.94 0.42 -0.10 0.00 0.00 175.22 176.87 2qan s ILE 20 N 0.13 3.15 -0.01 0.64 1.09 0.46 -1.85 121.20 124.81 2qan s ILE 20 Ca 0.21 0.18 0.00 0.00 -1.10 0.00 0.00 60.65 59.95 2qan s ILE 20 Cb -0.17 -3.13 0.01 0.00 -1.06 0.00 0.00 42.46 38.11 2qan s ILE 20 CO -0.05 -0.04 -0.00 -0.75 -0.10 0.00 0.00 174.94 174.00 2qan s LYS 21 N 4.76 0.16 0.25 2.79 2.20 -0.71 0.91 119.74 130.10 2qan s LYS 21 Ca 0.87 0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 56.22 2qan s LYS 21 Cb -0.38 -0.27 -0.10 0.00 -1.51 0.00 0.00 37.83 35.57 2qan s LYS 21 CO 0.38 -0.06 1.37 -1.25 -0.36 0.00 0.00 175.35 175.42 2qan s PRO 22 N 0.54 4.33 0.00 4.03 0.04 -1.26 0.65 135.00 143.33 2qan s PRO 22 Ca -0.05 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2qan s PRO 22 Cb -0.08 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2qan s PRO 22 CO -0.01 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.13 2qan n GLY 23 N 1.97 2.99 3.55 0.56 0.00 -1.23 -4.60 105.19 108.42 2qan n GLY 23 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2qan n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qan n ASN 24 N 0.00 0.00 -2.32 1.61 6.94 -1.26 -1.33 115.26 118.90 2qan n ASN 24 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 2qan n ASN 24 Cb 0.00 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.46 2qan n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qan n GLY 25 N 0.00 0.09 3.78 4.83 0.00 -0.73 0.14 105.19 113.30 2qan n GLY 25 Ca 0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2qan n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qan s LYS 26 N 0.07 2.69 -0.28 1.61 1.02 -1.25 -4.52 119.74 119.08 2qan s LYS 26 Ca 0.06 1.28 -0.00 0.00 0.02 0.00 0.00 55.97 57.33 2qan s LYS 26 Cb 0.18 -1.94 0.14 0.00 -0.52 0.00 0.00 37.83 35.68 2qan s LYS 26 CO -0.05 -1.32 0.32 0.42 -0.92 0.00 0.00 175.35 173.81 2qan s ILE 27 N -2.56 -0.46 -0.30 2.17 1.01 -1.26 -2.92 121.20 116.87 2qan s ILE 27 Ca 0.64 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.91 2qan s ILE 27 Cb -0.19 -0.96 0.07 0.00 0.01 0.00 0.00 42.46 41.39 2qan s ILE 27 CO 0.46 -0.39 -0.03 -0.69 0.00 0.00 0.00 174.94 174.29 2qan s VAL 28 N 2.41 2.52 -0.11 2.92 1.01 -1.24 -1.75 120.40 126.16 2qan s VAL 28 Ca 0.09 -1.70 -0.12 0.00 0.00 0.00 0.00 61.98 60.25 2qan s VAL 28 Cb -0.14 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 2qan s VAL 28 CO -0.30 -0.19 0.28 -0.63 0.00 0.00 0.00 175.10 174.25 2qan s ILE 29 N 1.12 5.29 -1.51 2.22 1.01 0.23 -1.12 121.20 128.44 2qan s ILE 29 Ca -0.03 0.52 -0.03 0.00 0.00 0.00 0.00 60.65 61.11 2qan s ILE 29 Cb -0.20 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.71 2qan s ILE 29 CO -0.04 0.49 0.30 0.59 0.00 0.00 0.00 174.94 176.28 2qan n ASN 30 N 2.79 -0.18 -1.65 3.58 5.03 0.12 0.72 115.26 125.67 2qan n ASN 30 Ca -0.14 -1.12 -0.20 0.00 0.87 0.00 0.00 54.58 53.99 2qan n ASN 30 Cb 0.53 -2.42 -0.07 0.00 -1.02 0.00 0.00 39.78 36.80 2qan n ASN 30 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 2qan n GLN 31 N -4.45 -1.42 -4.26 3.52 7.27 -1.26 -4.96 117.38 111.81 2qan n GLN 31 Ca -0.26 1.17 -0.14 0.00 0.07 0.00 0.00 57.00 57.83 2qan n GLN 31 Cb 0.66 -5.56 -0.10 0.00 2.41 0.00 0.00 30.24 27.65 2qan n GLN 31 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2qan s ARG 32 N -3.90 1.19 0.51 3.69 0.52 0.22 -5.12 118.95 116.07 2qan s ARG 32 Ca 0.00 -1.60 -0.21 0.00 -0.52 0.00 0.00 55.73 53.40 2qan s ARG 32 Cb 0.00 -0.28 -0.06 0.00 0.52 0.00 0.00 34.95 35.13 2qan s ARG 32 CO 0.00 -0.17 1.17 0.45 0.02 0.00 0.00 175.30 176.77 2qan s SER 33 N -3.21 5.84 0.28 0.23 0.15 -1.26 0.75 113.70 116.48 2qan s SER 33 Ca 0.28 2.30 0.01 0.00 0.70 0.00 0.00 55.95 59.24 2qan s SER 33 Cb 0.06 -2.60 0.60 0.00 -1.71 0.00 0.00 66.02 62.37 2qan s SER 33 CO 0.07 -1.14 1.78 0.25 1.20 0.00 0.00 173.24 175.39 2qan h LEU 34 N 1.57 0.69 0.00 3.45 5.85 -1.68 0.52 115.31 125.72 2qan h LEU 34 Ca -0.50 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.24 2qan h LEU 34 Cb 1.26 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2qan h LEU 34 CO 0.58 0.29 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.28 2qan h GLU 35 N 0.74 0.00 0.00 1.25 3.07 -1.89 -0.40 114.58 117.36 2qan h GLU 35 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 2qan h GLU 35 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2qan h GLU 35 CO -0.35 0.29 0.00 1.04 -1.40 0.00 0.00 179.01 178.59 2qan n GLN 36 N -3.15 0.83 0.00 2.33 3.00 0.15 0.10 117.38 120.65 2qan n GLN 36 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2qan n GLN 36 Cb 0.66 -1.03 0.00 0.00 0.00 0.00 0.00 30.24 29.87 2qan n GLN 36 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2qan n TYR 37 N -0.53 0.00 -0.34 1.08 9.36 -1.08 -4.80 117.16 120.85 2qan n TYR 37 Ca 0.01 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.24 2qan n TYR 37 Cb 0.01 0.25 0.02 0.00 -0.63 0.00 0.00 39.34 38.98 2qan n TYR 37 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2qan n PHE 38 N -2.42 0.00 -1.68 2.98 0.99 -0.17 -5.04 117.46 112.13 2qan n PHE 38 Ca 0.00 -0.47 -0.44 0.00 -0.00 0.00 0.00 57.45 56.54 2qan n PHE 38 Cb 0.15 -0.05 -0.02 0.00 -1.00 0.00 0.00 39.48 38.56 2qan n PHE 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qan n GLY 39 N -0.52 0.77 2.41 1.37 0.00 0.28 -1.85 105.19 107.66 2qan n GLY 39 Ca 0.02 0.48 -0.18 0.00 0.00 0.00 0.00 46.02 46.33 2qan n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qan n ARG 40 N 1.90 -1.85 -4.15 1.61 0.63 -1.26 -4.96 116.66 108.57 2qan n ARG 40 Ca 0.11 0.89 -0.16 0.00 -0.92 0.00 0.00 57.85 57.76 2qan n ARG 40 Cb 0.32 -5.53 -0.12 0.00 0.45 0.00 0.00 32.46 27.58 2qan n ARG 40 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2qan s GLU 41 N -5.03 0.77 0.00 -0.14 2.02 -0.77 -5.00 118.70 110.55 2qan s GLU 41 Ca 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.03 2qan s GLU 41 Cb 0.00 -0.67 0.00 0.00 0.10 0.00 0.00 34.13 33.56 2qan s GLU 41 CO 0.00 0.14 0.19 -2.37 0.02 0.00 0.00 175.26 173.24 2qan n THR 42 N 1.15 0.00 -0.10 3.63 5.66 -1.26 -2.91 114.28 120.45 2qan n THR 42 Ca -0.20 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.56 2qan n THR 42 Cb 0.55 -0.34 -0.12 0.00 -1.55 0.00 0.00 70.33 68.88 2qan n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qan n ALA 43 N -0.33 0.97 0.30 1.79 0.00 -1.26 -4.32 120.51 117.66 2qan n ALA 43 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2qan n ALA 43 Cb 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2qan n ALA 43 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qan n ARG 44 N -4.13 0.16 -0.11 0.00 1.85 -1.14 -2.43 116.66 110.86 2qan n ARG 44 Ca -0.40 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.20 2qan n ARG 44 Cb 0.83 -1.01 -0.11 0.00 -1.05 0.00 0.00 32.46 31.11 2qan n ARG 44 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qan n MET 45 N -0.35 0.60 -0.34 2.89 0.00 -1.26 -4.20 117.12 114.46 2qan n MET 45 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 57.70 58.08 2qan n MET 45 Cb 0.01 -1.59 0.21 0.00 0.00 0.00 0.00 33.22 31.84 2qan n MET 45 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 2qan h VAL 46 N -0.78 1.06 -0.98 3.17 -1.51 -1.73 -0.37 116.25 115.11 2qan h VAL 46 Ca -0.56 -0.38 0.10 0.00 -1.23 0.00 0.00 66.70 64.64 2qan h VAL 46 Cb 1.59 -0.13 -0.08 0.00 -2.13 0.00 0.00 31.29 30.54 2qan h VAL 46 CO -0.27 0.20 0.62 -0.37 -1.23 0.00 0.00 177.57 176.51 2qan h VAL 47 N 1.10 0.98 0.00 7.19 -1.51 -1.77 -0.37 116.25 121.86 2qan h VAL 47 Ca 0.42 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.54 2qan h VAL 47 Cb 0.22 -0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.23 2qan h VAL 47 CO -0.17 0.19 -0.28 0.03 -1.23 0.00 0.00 177.57 176.11 2qan h ARG 48 N 1.03 0.00 -0.73 5.19 3.08 -1.39 -3.38 114.38 118.18 2qan h ARG 48 Ca 0.46 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.63 2qan h ARG 48 Cb 0.36 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.28 2qan h ARG 48 CO -0.23 0.00 -0.37 1.96 -1.07 0.00 0.00 179.97 180.26 2qan h GLN 49 N 0.00 -0.11 0.00 0.04 4.20 0.55 2.01 115.11 121.80 2qan h GLN 49 Ca 0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2qan h GLN 49 Cb 0.79 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 2qan h GLN 49 CO 0.00 -0.07 -0.11 -1.00 -0.67 0.00 0.00 178.83 176.98 2qan h PRO 50 N -0.11 0.00 0.01 1.46 0.13 -1.73 -1.62 132.00 130.13 2qan h PRO 50 Ca 0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.39 2qan h PRO 50 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2qan h PRO 50 CO -0.79 0.11 -0.00 -0.07 -0.23 0.00 0.00 178.00 177.02 2qan h LEU 51 N 0.00 -0.01 -1.68 1.56 3.38 0.13 -3.23 115.31 115.47 2qan h LEU 51 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2qan h LEU 51 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2qan h LEU 51 CO 0.01 0.77 0.13 -0.33 0.09 0.00 0.00 178.44 179.11 2qan h GLU 52 N -0.99 0.00 0.00 1.13 4.39 0.30 0.30 114.58 119.70 2qan h GLU 52 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qan h GLU 52 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2qan h GLU 52 CO 0.00 0.00 -0.74 1.25 -1.16 0.00 0.00 179.01 178.36 2qan h LEU 53 N 0.00 0.00 -5.21 1.33 7.12 -1.35 -3.39 115.31 113.82 2qan h LEU 53 Ca 0.00 -0.08 -0.26 0.00 0.13 0.00 0.00 57.88 57.67 2qan h LEU 53 Cb 0.26 0.00 -0.34 0.00 -0.53 0.00 0.00 40.66 40.05 2qan h LEU 53 CO 0.00 0.04 -0.93 1.33 -0.13 0.00 0.00 178.44 178.74 2qan n VAL 54 N -2.52 0.87 -1.16 1.05 0.24 0.86 -5.10 118.33 112.58 2qan n VAL 54 Ca 0.02 -2.52 0.00 0.00 -2.04 0.00 0.00 64.34 59.80 2qan n VAL 54 Cb 0.51 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 2qan n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2qan n ASP 55 N -0.61 -6.55 -0.94 -1.34 8.00 -0.05 -4.97 116.55 110.09 2qan n ASP 55 Ca 0.03 0.90 0.00 0.00 0.71 0.00 0.00 54.79 56.43 2qan n ASP 55 Cb 0.82 -3.19 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 2qan n ASP 55 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2qan n MET 56 N -0.84 0.00 0.00 -1.24 1.56 -1.25 -4.69 117.12 110.66 2qan n MET 56 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2qan n MET 56 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 2qan n MET 56 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2qan n VAL 57 N 0.00 0.00 -1.75 1.12 0.31 -1.26 -3.62 118.33 113.14 2qan n VAL 57 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 2qan n VAL 57 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 2qan n VAL 57 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2qan n GLU 58 N 0.00 0.91 -0.02 5.55 0.00 -1.04 -1.77 120.64 124.26 2qan n GLU 58 Ca 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 57.16 54.61 2qan n GLU 58 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 31.44 30.38 2qan n GLU 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2qan n LYS 59 N -0.64 0.24 -3.79 3.44 5.02 0.37 -4.72 118.16 118.07 2qan n LYS 59 Ca 0.12 0.10 -0.00 0.00 -2.02 0.00 0.00 58.31 56.51 2qan n LYS 59 Cb 0.79 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.89 2qan n LYS 59 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2qan s LEU 60 N -7.30 -0.05 -0.04 -0.35 2.34 0.26 -3.56 118.68 109.98 2qan s LEU 60 Ca -0.14 -0.32 0.03 0.00 0.06 0.00 0.00 54.13 53.77 2qan s LEU 60 Cb 0.02 1.66 0.00 0.00 -0.56 0.00 0.00 46.19 47.32 2qan s LEU 60 CO 0.20 -0.56 -0.14 1.51 -1.06 0.00 0.00 176.35 176.30 2qan s ASP 61 N -3.27 1.74 0.26 1.48 3.84 0.21 -3.31 116.67 117.62 2qan s ASP 61 Ca 0.19 -0.28 0.10 0.00 -0.00 0.00 0.00 52.55 52.57 2qan s ASP 61 Cb 0.01 -0.49 -0.05 0.00 -1.38 0.00 0.00 42.92 41.01 2qan s ASP 61 CO 0.00 0.11 -0.08 -0.76 -0.00 0.00 0.00 175.17 174.44 2qan s LEU 62 N 0.13 2.97 -0.39 2.11 2.01 -1.15 -1.73 118.68 122.63 2qan s LEU 62 Ca -0.04 -0.76 -0.08 0.00 0.01 0.00 0.00 54.13 53.26 2qan s LEU 62 Cb -0.10 -1.51 0.07 0.00 0.01 0.00 0.00 46.19 44.65 2qan s LEU 62 CO 0.01 0.02 0.21 -0.47 1.01 0.00 0.00 176.35 177.14 2qan s TYR 63 N -2.31 3.33 0.06 0.29 5.04 -0.77 -3.59 117.35 119.39 2qan s TYR 63 Ca 0.30 -1.52 -0.19 0.00 -2.44 0.00 0.00 57.07 53.22 2qan s TYR 63 Cb -0.06 -2.76 -0.07 0.00 0.35 0.00 0.00 41.96 39.42 2qan s TYR 63 CO 0.18 -0.81 0.56 0.42 -1.34 0.00 0.00 175.55 174.56 2qan s ILE 64 N 1.41 4.76 -0.40 3.14 1.09 -0.27 -1.76 121.20 129.17 2qan s ILE 64 Ca 0.02 1.19 0.04 0.00 -1.10 0.00 0.00 60.65 60.80 2qan s ILE 64 Cb -0.22 -3.89 0.16 0.00 -1.06 0.00 0.00 42.46 37.46 2qan s ILE 64 CO 0.02 0.55 0.39 -0.89 -0.10 0.00 0.00 174.94 174.91 2qan s THR 65 N -1.06 -0.13 0.14 2.92 2.01 0.27 -0.70 115.64 119.08 2qan s THR 65 Ca 0.29 -1.68 0.05 0.00 0.31 0.00 0.00 61.69 60.66 2qan s THR 65 Cb -0.19 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2qan s THR 65 CO 0.19 -0.79 0.06 0.54 -0.69 0.00 0.00 174.62 173.92 2qan s VAL 66 N 0.81 4.14 0.05 3.82 0.11 -1.26 -0.65 120.40 127.42 2qan s VAL 66 Ca 0.25 -1.13 -0.27 0.00 -2.93 0.00 0.00 61.98 57.89 2qan s VAL 66 Cb -0.08 -3.06 0.09 0.00 -1.53 0.00 0.00 36.38 31.81 2qan s VAL 66 CO -0.08 -0.03 0.79 -1.59 -3.33 0.00 0.00 175.10 170.86 2qan s LYS 67 N -2.79 0.98 0.14 1.54 0.00 0.14 -4.82 119.74 114.92 2qan s LYS 67 Ca 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 55.97 55.90 2qan s LYS 67 Cb -0.10 0.45 0.00 0.00 0.00 0.00 0.00 37.83 38.18 2qan s LYS 67 CO 0.21 -0.42 0.00 0.41 0.00 0.00 0.00 175.35 175.54 2qan n GLY 68 N -0.27 -3.83 0.00 0.59 0.00 -1.26 -1.20 105.19 99.22 2qan n GLY 68 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2qan n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qan n GLY 69 N -0.32 0.44 0.00 -0.02 0.00 -1.08 -3.42 105.19 100.78 2qan n GLY 69 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2qan n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qan n GLY 70 N 0.00 2.66 0.00 -0.02 0.00 -1.26 -4.95 105.19 101.62 2qan n GLY 70 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2qan n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qan n ILE 71 N 0.00 0.00 0.10 -0.61 -0.00 -1.26 0.16 119.36 117.75 2qan n ILE 71 Ca 0.00 1.33 0.17 0.00 -0.00 0.00 0.00 62.75 64.25 2qan n ILE 71 Cb 0.00 -2.20 0.70 0.00 -0.00 0.00 0.00 39.64 38.14 2qan n ILE 71 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 2qan h SER 72 N 0.00 0.00 0.38 4.38 4.64 -1.99 -1.47 113.55 119.50 2qan h SER 72 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2qan h SER 72 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qan h SER 72 CO 0.00 0.00 -0.18 1.23 -0.87 0.00 0.00 176.83 177.01 2qan h GLY 73 N 0.00 -0.54 0.16 -0.77 0.00 -1.78 -1.08 103.07 99.06 2qan h GLY 73 Ca 0.16 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2qan h GLY 73 CO -0.00 -0.20 -0.39 1.46 0.00 0.00 0.00 176.54 177.41 2qan h GLN 74 N -0.81 -0.58 -0.51 4.80 7.50 0.24 0.14 115.11 125.89 2qan h GLN 74 Ca -0.05 0.04 0.06 0.00 0.50 0.00 0.00 58.65 59.19 2qan h GLN 74 Cb 0.53 0.13 -0.09 0.00 0.05 0.00 0.00 27.48 28.11 2qan h GLN 74 CO 0.09 -0.39 -0.56 0.00 -1.50 0.00 0.00 178.83 176.47 2qan h ALA 75 N -0.89 -0.72 -0.70 3.87 0.00 -1.37 0.82 119.26 120.27 2qan h ALA 75 Ca -0.02 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2qan h ALA 75 Cb 0.58 1.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 2qan h ALA 75 CO -0.17 -1.03 0.37 0.78 0.00 0.00 0.00 179.25 179.20 2qan h GLY 76 N -0.33 1.04 0.75 0.00 0.00 -1.04 -2.12 103.07 101.36 2qan h GLY 76 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2qan h GLY 76 CO -0.65 0.12 -0.35 0.00 0.00 0.00 0.00 176.54 175.65 2qan h ALA 77 N 1.39 -0.84 -0.57 3.60 0.00 0.65 -2.76 119.26 120.75 2qan h ALA 77 Ca 0.33 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2qan h ALA 77 Cb 0.27 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 2qan h ALA 77 CO -0.22 -0.99 -0.03 0.82 0.00 0.00 0.00 179.25 178.82 2qan h ILE 78 N -0.81 0.51 -0.94 0.00 2.04 -0.65 0.21 117.51 117.87 2qan h ILE 78 Ca -0.05 -0.03 0.22 0.00 1.00 0.00 0.00 64.86 66.00 2qan h ILE 78 Cb 0.69 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 2qan h ILE 78 CO 0.01 0.02 0.62 -0.09 0.00 0.00 0.00 178.15 178.71 2qan h ARG 79 N 0.08 0.38 0.23 2.37 2.43 -1.18 0.19 114.38 118.89 2qan h ARG 79 Ca 0.29 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2qan h ARG 79 Cb 0.45 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2qan h ARG 79 CO -0.51 0.25 -0.11 1.25 -1.51 0.00 0.00 179.97 179.34 2qan h HIS 80 N 0.39 -0.29 -0.61 2.20 2.76 -0.33 -2.42 115.15 116.85 2qan h HIS 80 Ca 0.50 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.78 2qan h HIS 80 Cb 1.28 0.10 -0.09 0.00 1.55 0.00 0.00 27.41 30.25 2qan h HIS 80 CO -0.00 0.09 0.15 0.78 -1.30 0.00 0.00 177.93 177.65 2qan h GLY 81 N -0.78 0.81 0.02 5.26 0.00 -0.51 0.16 103.07 108.03 2qan h GLY 81 Ca -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2qan h GLY 81 CO 0.05 -0.11 -0.02 -2.22 0.00 0.00 0.00 176.54 174.24 2qan h ILE 82 N 0.29 0.00 -1.09 2.60 2.04 -1.03 0.17 117.51 120.48 2qan h ILE 82 Ca 0.32 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.50 2qan h ILE 82 Cb 0.48 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 2qan h ILE 82 CO -0.40 0.00 0.78 0.00 0.00 0.00 0.00 178.15 178.53 2qan h THR 83 N -0.05 0.46 0.61 -0.27 1.03 -1.24 0.01 112.91 113.46 2qan h THR 83 Ca -0.00 -0.01 -0.03 0.00 -0.01 0.00 0.00 66.41 66.35 2qan h THR 83 Cb 0.04 0.42 0.01 0.00 -1.07 0.00 0.00 68.15 67.54 2qan h THR 83 CO -0.00 0.01 -0.29 0.03 -0.01 0.00 0.00 175.52 175.25 2qan h ARG 84 N 0.04 -0.79 -0.56 0.00 2.47 0.02 -3.19 114.38 112.37 2qan h ARG 84 Ca 0.53 0.05 0.10 0.00 -1.26 0.00 0.00 59.98 59.41 2qan h ARG 84 Cb 2.04 0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 30.50 2qan h ARG 84 CO -0.03 -0.53 0.38 0.00 0.56 0.00 0.00 179.97 180.35 2qan h ALA 85 N -1.31 2.09 -1.00 0.04 0.00 0.60 -1.45 119.26 118.23 2qan h ALA 85 Ca -0.08 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.02 2qan h ALA 85 Cb 0.63 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 2qan h ALA 85 CO 0.14 -0.22 0.61 -0.07 0.00 0.00 0.00 179.25 179.71 2qan h LEU 86 N 0.33 0.72 -1.60 0.00 4.07 -1.04 0.23 115.31 118.02 2qan h LEU 86 Ca 0.26 0.10 0.11 0.00 0.08 0.00 0.00 57.88 58.43 2qan h LEU 86 Cb 0.59 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.27 2qan h LEU 86 CO -0.06 0.22 0.44 -0.03 -1.08 0.00 0.00 178.44 177.93 2qan h MET 87 N 0.68 0.42 -0.04 1.13 4.05 -1.30 -0.13 114.93 119.74 2qan h MET 87 Ca 0.59 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.98 2qan h MET 87 Cb 1.03 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.73 2qan h MET 87 CO -0.38 0.28 0.01 0.93 0.23 0.00 0.00 176.91 177.97 2qan h GLU 88 N 0.43 0.07 0.00 0.39 5.08 -0.67 -0.19 114.58 119.70 2qan h GLU 88 Ca 0.31 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 2qan h GLU 88 Cb 0.62 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2qan h GLU 88 CO -0.09 0.29 -0.24 -0.92 -1.00 0.00 0.00 179.01 177.05 2qan h TYR 89 N -0.17 0.00 -0.83 4.33 3.20 -1.25 -3.41 116.97 118.85 2qan h TYR 89 Ca 0.01 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.97 2qan h TYR 89 Cb 0.26 0.00 -0.21 0.00 1.54 0.00 0.00 36.73 38.32 2qan h TYR 89 CO 0.01 0.24 -0.25 0.34 -1.64 0.00 0.00 178.16 176.86 2qan s ASP 90 N -6.65 -1.29 0.00 -2.11 3.68 -0.14 -5.01 116.67 105.14 2qan s ASP 90 Ca -0.03 0.35 0.16 0.00 2.13 0.00 0.00 52.55 55.16 2qan s ASP 90 Cb 0.14 1.90 0.96 0.00 -1.45 0.00 0.00 42.92 44.46 2qan s ASP 90 CO 0.67 -0.24 1.38 1.21 0.13 0.00 0.00 175.17 178.32 2qan n GLU 91 N 5.38 0.59 -0.05 4.34 0.00 -0.10 -3.36 120.64 127.43 2qan n GLU 91 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.97 2qan n GLU 91 Cb 0.54 -1.42 -0.13 0.00 0.00 0.00 0.00 31.44 30.43 2qan n GLU 91 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2qan n SER 92 N -0.92 1.99 0.04 4.31 7.64 -1.26 -4.15 113.62 121.26 2qan n SER 92 Ca 0.12 0.33 0.02 0.00 1.01 0.00 0.00 58.87 60.35 2qan n SER 92 Cb 0.06 -0.92 0.13 0.00 -1.01 0.00 0.00 64.21 62.46 2qan n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qan n LEU 93 N -4.00 0.12 0.16 -3.43 -0.00 -1.21 -2.78 117.00 105.86 2qan n LEU 93 Ca -0.32 0.53 -0.14 0.00 -0.00 0.00 0.00 56.01 56.08 2qan n LEU 93 Cb 0.85 -0.54 -0.07 0.00 -0.00 0.00 0.00 43.42 43.67 2qan n LEU 93 CO 0.30 -0.57 0.66 0.03 -0.00 0.00 0.00 177.39 177.81 2qan h ARG 94 N 0.00 -0.57 -0.91 1.47 2.47 -1.75 -1.85 114.38 113.25 2qan h ARG 94 Ca 0.00 0.04 0.33 0.00 -1.26 0.00 0.00 59.98 59.09 2qan h ARG 94 Cb 0.08 0.13 -0.17 0.00 -1.65 0.00 0.00 29.97 28.36 2qan h ARG 94 CO 0.00 -0.38 0.30 0.45 0.56 0.00 0.00 179.97 180.90 2qan n SER 95 N -5.42 0.15 0.00 7.04 2.88 -1.12 0.11 113.62 117.27 2qan n SER 95 Ca -0.08 1.52 -0.17 0.00 -1.33 0.00 0.00 58.87 58.81 2qan n SER 95 Cb 0.33 -0.67 -0.12 0.00 -0.75 0.00 0.00 64.21 63.00 2qan n SER 95 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2qan h GLU 96 N 0.00 0.30 -0.49 -1.46 4.39 -1.67 -1.93 114.58 113.72 2qan h GLU 96 Ca 0.68 -0.37 0.07 0.00 0.34 0.00 0.00 59.36 60.08 2qan h GLU 96 Cb 1.68 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 30.39 2qan h GLU 96 CO -0.76 1.09 0.17 -0.07 -1.16 0.00 0.00 179.01 178.28 2qan h LEU 97 N -0.32 0.16 -0.57 1.33 3.38 0.49 -1.47 115.31 118.30 2qan h LEU 97 Ca -0.08 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2qan h LEU 97 Cb 1.30 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 2qan h LEU 97 CO 0.10 0.12 0.16 -0.09 0.09 0.00 0.00 178.44 178.83 2qan h ARG 98 N 0.34 0.90 -0.20 1.13 2.43 -0.63 -2.29 114.38 116.06 2qan h ARG 98 Ca 0.24 -0.20 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2qan h ARG 98 Cb 0.26 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2qan h ARG 98 CO -0.25 0.82 0.33 -0.22 -1.51 0.00 0.00 179.97 179.14 2qan h LYS 99 N 0.81 0.00 -0.51 0.20 3.64 -0.45 0.29 116.57 120.56 2qan h LYS 99 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2qan h LYS 99 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2qan h LYS 99 CO -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 2qan n ALA 100 N -2.18 3.53 -3.13 5.00 0.00 -0.88 -4.97 120.51 117.88 2qan n ALA 100 Ca 0.02 -1.96 -0.09 0.00 0.00 0.00 0.00 53.44 51.41 2qan n ALA 100 Cb 0.44 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 18.94 2qan n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qan n GLY 101 N 0.41 -1.15 1.24 0.00 0.00 0.10 -4.98 105.19 100.81 2qan n GLY 101 Ca 0.26 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.80 2qan n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qan n PHE 102 N -2.65 -0.36 -0.26 1.61 0.99 -1.08 -4.79 117.46 110.93 2qan n PHE 102 Ca -0.04 0.06 0.25 0.00 -0.00 0.00 0.00 57.45 57.72 2qan n PHE 102 Cb 0.57 0.12 0.60 0.00 -1.00 0.00 0.00 39.48 39.77 2qan n PHE 102 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 2qan h VAL 103 N 0.00 0.56 -4.15 -4.37 -1.51 -1.85 -3.42 116.25 101.52 2qan h VAL 103 Ca 0.00 -0.09 -0.51 0.00 -1.23 0.00 0.00 66.70 64.88 2qan h VAL 103 Cb 0.28 0.29 0.18 0.00 -2.13 0.00 0.00 31.29 29.91 2qan h VAL 103 CO 0.00 0.05 0.22 0.42 -1.23 0.00 0.00 177.57 177.02 2qan s THR 104 N -5.27 2.35 -0.15 7.19 -4.23 -1.26 -5.03 115.64 109.24 2qan s THR 104 Ca -0.07 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.56 2qan s THR 104 Cb 0.23 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.83 2qan s THR 104 CO 0.79 -0.15 -0.15 -0.60 -0.54 0.00 0.00 174.62 173.97 2qan s ARG 105 N -4.70 2.39 -0.73 3.99 3.00 -1.26 -5.05 118.95 116.59 2qan s ARG 105 Ca 0.66 -0.60 -0.26 0.00 -1.00 0.00 0.00 55.73 54.53 2qan s ARG 105 Cb -0.22 -2.16 -0.12 0.00 0.00 0.00 0.00 34.95 32.46 2qan s ARG 105 CO 0.58 -0.22 2.38 -0.51 0.00 0.00 0.00 175.30 177.53 2qan s ASP 106 N 1.43 4.08 0.00 -2.12 -0.00 -1.26 -4.74 116.67 114.07 2qan s ASP 106 Ca 0.04 0.23 0.08 0.00 -0.00 0.00 0.00 52.55 52.90 2qan s ASP 106 Cb -0.13 -2.54 0.44 0.00 -0.00 0.00 0.00 42.92 40.69 2qan s ASP 106 CO -0.10 -3.60 1.05 0.00 -0.00 0.00 0.00 175.17 172.51 2qan n ALA 107 N 17.79 1.66 -1.85 5.23 0.00 -1.26 -4.51 120.51 137.56 2qan n ALA 107 Ca 0.44 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 2qan n ALA 107 Cb 0.46 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 2qan n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qan s ARG 108 N -2.33 4.18 -0.09 0.00 0.52 -1.26 -4.99 118.95 114.98 2qan s ARG 108 Ca 0.10 2.45 -0.14 0.00 -0.52 0.00 0.00 55.73 57.61 2qan s ARG 108 Cb 0.05 -3.26 0.03 0.00 0.52 0.00 0.00 34.95 32.29 2qan s ARG 108 CO 0.11 -0.70 0.36 -1.14 0.02 0.00 0.00 175.30 173.95 2qan s GLN 109 N 1.60 0.55 0.21 3.54 -0.44 -1.26 -4.37 119.66 119.48 2qan s GLN 109 Ca 0.73 0.23 -0.30 0.00 -2.50 0.00 0.00 55.36 53.52 2qan s GLN 109 Cb -0.45 0.25 -0.16 0.00 -1.64 0.00 0.00 33.01 31.02 2qan s GLN 109 CO 0.32 -0.11 0.97 0.28 0.50 0.00 0.00 175.29 177.25 2qan n VAL 110 N 2.19 1.47 -3.26 1.34 0.31 -1.26 -4.92 118.33 114.20 2qan n VAL 110 Ca -0.17 -0.37 -0.39 0.00 -0.01 0.00 0.00 64.34 63.41 2qan n VAL 110 Cb 0.57 -0.68 -0.06 0.00 -0.91 0.00 0.00 33.84 32.76 2qan n VAL 110 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2qan s GLU 111 N -0.91 4.25 0.34 5.55 2.02 -1.26 -5.04 118.70 123.66 2qan s GLU 111 Ca 0.67 0.68 -0.29 0.00 0.02 0.00 0.00 54.97 56.05 2qan s GLU 111 Cb -0.84 -3.31 -0.11 0.00 0.10 0.00 0.00 34.13 29.97 2qan s GLU 111 CO 0.56 0.44 1.47 -0.98 0.02 0.00 0.00 175.26 176.77 2qan s ARG 112 N -0.42 4.17 -0.36 1.61 1.70 -1.26 -4.80 118.95 119.59 2qan s ARG 112 Ca 0.29 2.48 -0.28 0.00 -0.47 0.00 0.00 55.73 57.76 2qan s ARG 112 Cb -0.18 -3.01 -0.03 0.00 -0.57 0.00 0.00 34.95 31.16 2qan s ARG 112 CO 0.17 -0.48 1.93 0.21 -1.08 0.00 0.00 175.30 176.05 2qan s LYS 113 N -1.62 3.10 0.71 3.89 2.20 -1.26 -4.45 119.74 122.31 2qan s LYS 113 Ca 0.54 1.42 -0.14 0.00 -0.36 0.00 0.00 55.97 57.43 2qan s LYS 113 Cb -0.45 -4.29 0.03 0.00 -1.51 0.00 0.00 37.83 31.61 2qan s LYS 113 CO 0.57 -2.14 1.14 0.15 -0.36 0.00 0.00 175.35 174.71 2qan s LYS 114 N 6.19 2.42 0.44 4.03 1.02 -1.26 -4.76 119.74 127.81 2qan s LYS 114 Ca 0.83 1.48 -0.22 0.00 0.02 0.00 0.00 55.97 58.08 2qan s LYS 114 Cb -0.22 -1.89 -0.09 0.00 -0.52 0.00 0.00 37.83 35.10 2qan s LYS 114 CO 0.31 -1.56 1.01 0.54 -0.92 0.00 0.00 175.35 174.73 2qan s VAL 115 N -2.33 3.99 0.00 3.17 0.11 -1.26 -3.70 120.40 120.38 2qan s VAL 115 Ca 0.68 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 61.05 2qan s VAL 115 Cb -0.23 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 2qan s VAL 115 CO 0.45 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 2qan n GLY 116 N -0.20 2.51 0.00 6.54 0.00 -1.26 -4.99 105.19 107.80 2qan n GLY 116 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2qan n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qan n LEU 117 N 0.00 0.00 0.00 0.99 4.77 -1.24 -4.85 117.00 116.67 2qan n LEU 117 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qan n LEU 117 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qan n LEU 117 CO 0.00 -0.49 -0.19 -1.14 -1.33 0.00 0.00 177.39 174.24 2qan n ARG 118 N -0.67 3.77 -2.70 3.23 0.63 0.94 -4.90 116.66 116.95 2qan n ARG 118 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 2qan n ARG 118 Cb 0.00 -0.66 0.10 0.00 0.45 0.00 0.00 32.46 32.35 2qan n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2qan n LYS 119 N -1.08 0.65 0.00 -0.14 4.81 -1.24 -4.91 118.16 116.25 2qan n LYS 119 Ca 0.00 -1.42 0.00 0.00 -0.87 0.00 0.00 58.31 56.02 2qan n LYS 119 Cb 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 35.03 34.38 2qan n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qan n ALA 120 N 0.42 0.00 0.00 3.14 0.00 -1.26 -3.55 120.51 119.26 2qan n ALA 120 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qan n ALA 120 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.15 2qan n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qan n ARG 121 N -1.29 0.00 -1.49 0.00 5.12 -1.26 -4.56 116.66 113.17 2qan n ARG 121 Ca 0.00 0.00 -0.45 0.00 -1.93 0.00 0.00 57.85 55.47 2qan n ARG 121 Cb 0.00 -0.17 -0.07 0.00 -1.16 0.00 0.00 32.46 31.06 2qan n ARG 121 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qan n ARG 122 N -1.75 0.99 -3.21 5.56 3.00 -1.23 -4.82 116.66 115.20 2qan n ARG 122 Ca 0.00 0.20 -0.41 0.00 -0.00 0.00 0.00 57.85 57.65 2qan n ARG 122 Cb 0.00 -2.62 -0.07 0.00 0.00 0.00 0.00 32.46 29.77 2qan n ARG 122 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2qan s ARG 123 N 7.10 3.85 0.23 -0.14 1.81 -1.26 -0.04 118.95 130.50 2qan s ARG 123 Ca 1.10 0.12 -0.32 0.00 -1.72 0.00 0.00 55.73 54.92 2qan s ARG 123 Cb -0.71 -3.73 -0.13 0.00 -0.45 0.00 0.00 34.95 29.93 2qan s ARG 123 CO 0.43 -0.52 1.60 -0.35 -0.68 0.00 0.00 175.30 175.77 2qan n PRO 124 N 5.72 2.50 -1.68 3.54 -0.04 -1.26 -4.90 135.00 138.87 2qan n PRO 124 Ca -0.04 0.90 -0.42 0.00 -0.04 0.00 0.00 63.50 63.90 2qan n PRO 124 Cb 0.49 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 2qan n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qan n GLN 125 N 2.96 1.92 -0.02 0.54 10.64 -1.26 -4.91 117.38 127.26 2qan n GLN 125 Ca 0.13 0.68 0.07 0.00 -1.83 0.00 0.00 57.00 56.05 2qan n GLN 125 Cb 0.34 -2.29 -0.14 0.00 -0.86 0.00 0.00 30.24 27.28 2qan n GLN 125 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 2qan n PHE 126 N 0.02 0.00 0.00 2.61 1.16 -1.26 -4.99 117.46 115.00 2qan n PHE 126 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 2qan n PHE 126 Cb 0.38 -0.49 0.00 0.00 -1.61 0.00 0.00 39.48 37.76 2qan n PHE 126 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2qan n SER 127 N -2.22 0.00 -4.54 5.98 3.41 -1.26 -4.69 113.62 110.30 2qan n SER 127 Ca -0.07 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.07 2qan n SER 127 Cb 0.57 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 2qan n SER 127 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2qan n LYS 128 N 0.00 1.59 0.00 4.33 3.00 -1.26 -5.35 118.16 120.47 2qan n LYS 128 Ca 0.00 0.46 0.06 0.00 -0.00 0.00 0.00 58.31 58.83 2qan n LYS 128 Cb 0.00 -2.80 0.05 0.00 0.00 0.00 0.00 35.03 32.28 2qan n LYS 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27