#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qcq h PRO 5 N 0.00 0.16 -7.31 5.31 0.11 -1.99 -3.36 132.00 124.92 2qcq h PRO 5 Ca 0.00 -0.13 -0.45 0.00 0.11 0.00 0.00 66.00 65.54 2qcq h PRO 5 Cb 0.00 0.03 0.17 0.00 0.11 0.00 0.00 31.00 31.31 2qcq h PRO 5 CO 0.00 0.78 0.14 1.03 -0.21 0.00 0.00 178.00 179.74 2qcq s ARG 6 N -3.57 0.01 0.85 1.05 0.52 -1.26 -4.57 118.95 111.98 2qcq s ARG 6 Ca -0.03 0.56 -0.11 0.00 -0.52 0.00 0.00 55.73 55.63 2qcq s ARG 6 Cb 0.12 -1.68 0.10 0.00 0.52 0.00 0.00 34.95 34.01 2qcq s ARG 6 CO 0.80 -3.03 1.09 -0.80 0.02 0.00 0.00 175.30 173.38 2qcq s ASN 7 N -3.24 3.79 -0.28 0.23 0.02 -1.26 -0.58 114.94 113.64 2qcq s ASN 7 Ca 0.66 1.68 -0.32 0.00 -1.02 0.00 0.00 52.86 53.85 2qcq s ASN 7 Cb -0.20 -2.35 -0.09 0.00 0.02 0.00 0.00 41.25 38.63 2qcq s ASN 7 CO 0.59 -2.46 2.18 0.00 0.02 0.00 0.00 177.10 177.43 2qcq s ALA 9 N 7.43 0.49 0.20 0.00 0.00 -0.60 -4.93 121.76 124.36 2qcq s ALA 9 Ca 1.05 -1.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 2qcq s ALA 9 Cb -0.64 1.20 -0.08 0.00 0.00 0.00 0.00 23.12 23.60 2qcq s ALA 9 CO 0.44 -0.75 0.81 0.50 0.00 0.00 0.00 175.76 176.76 2qcq s ARG 10 N -3.82 4.56 0.01 0.00 3.52 -1.26 -2.25 118.95 119.71 2qcq s ARG 10 Ca 0.30 1.18 0.05 0.00 -0.13 0.00 0.00 55.73 57.13 2qcq s ARG 10 Cb 0.02 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 30.24 2qcq s ARG 10 CO 0.13 0.50 -0.15 1.03 -0.81 0.00 0.00 175.30 176.00 2qcq s ARG 11 N -1.39 1.14 0.28 5.12 1.81 0.12 -4.96 118.95 121.06 2qcq s ARG 11 Ca 0.39 -0.65 -0.30 0.00 -1.72 0.00 0.00 55.73 53.45 2qcq s ARG 11 Cb -0.22 -1.13 -0.11 0.00 -0.45 0.00 0.00 34.95 33.04 2qcq s ARG 11 CO 0.26 0.30 1.55 -0.47 -0.68 0.00 0.00 175.30 176.26 2qcq s TYR 12 N -0.57 2.82 -0.18 -0.53 5.04 -1.26 -1.12 117.35 121.56 2qcq s TYR 12 Ca 0.05 0.84 -0.07 0.00 -2.44 0.00 0.00 57.07 55.44 2qcq s TYR 12 Cb -0.07 -4.00 0.08 0.00 0.35 0.00 0.00 41.96 38.32 2qcq s TYR 12 CO 0.00 -3.35 0.39 -1.17 -1.34 0.00 0.00 175.55 170.08 2qcq s LEU 13 N -0.45 -0.40 -0.23 6.97 2.96 -1.26 -4.73 118.68 121.55 2qcq s LEU 13 Ca 0.62 0.90 -0.10 0.00 -0.22 0.00 0.00 54.13 55.33 2qcq s LEU 13 Cb -0.46 1.25 -0.05 0.00 0.50 0.00 0.00 46.19 47.43 2qcq s LEU 13 CO 0.46 -0.22 0.15 -0.75 -1.32 0.00 0.00 176.35 174.67 2qcq s LYS 14 N 2.17 4.10 -0.23 1.98 2.20 -1.26 -0.49 119.74 128.20 2qcq s LYS 14 Ca -0.04 -0.26 -0.08 0.00 -0.36 0.00 0.00 55.97 55.23 2qcq s LYS 14 Cb -0.11 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2qcq s LYS 14 CO -0.12 0.14 0.09 0.08 -0.36 0.00 0.00 175.35 175.18 2qcq s VAL 15 N 0.82 4.69 -0.30 4.02 1.01 0.27 -4.91 120.40 126.01 2qcq s VAL 15 Ca 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 2qcq s VAL 15 Cb -0.13 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2qcq s VAL 15 CO 0.02 0.36 0.18 -0.62 0.00 0.00 0.00 175.10 175.04 2qcq s ASP 16 N 1.24 5.79 0.55 3.32 -1.08 -1.26 -1.44 116.67 123.78 2qcq s ASP 16 Ca 0.05 -0.27 0.21 0.00 -0.52 0.00 0.00 52.55 52.02 2qcq s ASP 16 Cb -0.14 -2.07 1.48 0.00 -1.46 0.00 0.00 42.92 40.72 2qcq s ASP 16 CO 0.04 -0.13 2.19 -0.26 0.52 0.00 0.00 175.17 177.53 2qcq h PHE 17 N 8.38 0.00 -0.14 -5.34 0.04 -1.74 -1.05 116.94 117.10 2qcq h PHE 17 Ca -0.34 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.37 2qcq h PHE 17 Cb 1.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 2qcq h PHE 17 CO 0.69 0.00 -0.18 0.00 -0.60 0.00 0.00 178.31 178.22 2qcq h ALA 18 N 2.00 1.44 0.00 2.45 0.00 -1.88 0.11 119.26 123.38 2qcq h ALA 18 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qcq h ALA 18 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qcq h ALA 18 CO -0.00 0.39 -0.32 -0.25 0.00 0.00 0.00 179.25 179.07 2qcq n ASP 19 N -4.23 0.43 -0.65 0.00 8.00 -0.42 -3.43 116.55 116.26 2qcq n ASP 19 Ca -0.01 0.15 0.11 0.00 0.71 0.00 0.00 54.79 55.75 2qcq n ASP 19 Cb 0.31 -0.11 0.03 0.00 -0.02 0.00 0.00 41.12 41.32 2qcq n ASP 19 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2qcq n ILE 20 N -1.72 0.00 -0.30 0.53 5.41 -1.07 -4.98 119.36 117.23 2qcq n ILE 20 Ca 0.05 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.46 2qcq n ILE 20 Cb 0.37 1.34 0.00 0.00 -0.71 0.00 0.00 39.64 40.64 2qcq n ILE 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qcq n GLY 21 N 1.38 0.74 1.53 7.39 0.00 -1.07 -4.98 105.19 110.19 2qcq n GLY 21 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 2qcq n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2qcq n TRP 22 N -2.00 1.47 0.24 1.61 8.01 0.37 -4.46 117.44 122.68 2qcq n TRP 22 Ca 0.00 -0.56 0.13 0.00 -1.31 0.00 0.00 57.50 55.76 2qcq n TRP 22 Cb 0.00 -0.29 0.37 0.00 -2.01 0.00 0.00 31.31 29.38 2qcq n TRP 22 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2qcq h SER 23 N 3.63 0.00 0.01 -0.99 4.64 -1.83 -2.28 113.55 116.73 2qcq h SER 23 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2qcq h SER 23 Cb 1.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.53 2qcq h SER 23 CO 0.27 0.04 -0.07 -0.33 -0.87 0.00 0.00 176.83 175.88 2qcq h GLU 24 N 0.00 -0.12 0.00 4.77 5.08 -1.92 -3.34 114.58 119.05 2qcq h GLU 24 Ca -0.00 0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.13 2qcq h GLU 24 Cb 0.83 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 2qcq h GLU 24 CO 0.01 -0.08 -1.60 -2.67 -1.00 0.00 0.00 179.01 173.67 2qcq n TRP 25 N -5.18 0.96 -3.01 4.33 4.27 -1.21 -4.89 117.44 112.71 2qcq n TRP 25 Ca -0.06 0.34 -0.41 0.00 -3.89 0.00 0.00 57.50 53.48 2qcq n TRP 25 Cb 0.11 -1.13 -0.05 0.00 -1.36 0.00 0.00 31.31 28.88 2qcq n TRP 25 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 2qcq s ILE 26 N -2.75 4.97 -0.21 -1.67 1.01 -0.86 -0.30 121.20 121.39 2qcq s ILE 26 Ca -0.04 1.42 -0.17 0.00 0.00 0.00 0.00 60.65 61.86 2qcq s ILE 26 Cb 0.08 -4.04 -0.19 0.00 0.01 0.00 0.00 42.46 38.32 2qcq s ILE 26 CO 0.82 0.10 0.13 -0.38 0.00 0.00 0.00 174.94 175.61 2qcq n ILE 27 N 4.53 1.57 -3.70 2.92 5.41 0.65 -4.80 119.36 125.93 2qcq n ILE 27 Ca 0.01 -0.20 -0.14 0.00 1.00 0.00 0.00 62.75 63.43 2qcq n ILE 27 Cb 0.50 -1.95 -0.09 0.00 -0.71 0.00 0.00 39.64 37.39 2qcq n ILE 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2qcq s SER 28 N -6.98 -0.47 0.82 4.38 0.15 -0.71 -4.65 113.70 106.23 2qcq s SER 28 Ca -0.30 0.84 -0.12 0.00 0.70 0.00 0.00 55.95 57.07 2qcq s SER 28 Cb 0.08 0.87 0.09 0.00 -1.71 0.00 0.00 66.02 65.35 2qcq s SER 28 CO 0.60 -0.23 1.19 -2.16 1.20 0.00 0.00 173.24 173.84 2qcq s PRO 29 N -0.04 1.81 0.15 5.44 0.04 -1.26 -0.26 135.00 140.89 2qcq s PRO 29 Ca -0.02 0.03 0.02 0.00 0.04 0.00 0.00 61.00 61.07 2qcq s PRO 29 Cb -0.03 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2qcq s PRO 29 CO 0.02 -1.68 1.35 0.87 0.04 0.00 0.00 177.00 177.60 2qcq h LYS 30 N -1.11 0.19 -3.57 4.56 1.57 -1.95 -3.47 116.57 112.79 2qcq h LYS 30 Ca -0.46 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.05 2qcq h LYS 30 Cb 1.32 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.61 2qcq h LYS 30 CO 0.62 0.98 -0.07 -1.54 -0.57 0.00 0.00 179.45 178.87 2qcq s SER 31 N -6.93 -0.08 -0.04 0.86 1.04 -1.26 -1.93 113.70 105.35 2qcq s SER 31 Ca -0.03 -0.91 -0.30 0.00 0.48 0.00 0.00 55.95 55.19 2qcq s SER 31 Cb 0.10 0.61 0.07 0.00 0.10 0.00 0.00 66.02 66.90 2qcq s SER 31 CO 0.83 -1.18 0.66 0.72 0.98 0.00 0.00 173.24 175.25 2qcq s PHE 32 N -3.94 -0.63 -0.58 5.02 -0.71 -0.52 -5.00 117.98 111.61 2qcq s PHE 32 Ca 0.21 1.06 -0.26 0.00 -1.04 0.00 0.00 56.93 56.90 2qcq s PHE 32 Cb -0.01 0.40 0.04 0.00 -1.21 0.00 0.00 43.02 42.23 2qcq s PHE 32 CO 0.09 -0.61 1.09 -0.51 -1.34 0.00 0.00 175.22 173.94 2qcq s ASP 33 N -1.26 6.37 0.08 1.98 1.01 -1.26 -0.56 116.67 123.02 2qcq s ASP 33 Ca -0.11 -0.16 0.00 0.00 0.71 0.00 0.00 52.55 52.99 2qcq s ASP 33 Cb -0.00 -2.50 -0.26 0.00 1.01 0.00 0.00 42.92 41.17 2qcq s ASP 33 CO 0.09 -1.40 1.13 0.00 0.21 0.00 0.00 175.17 175.19 2qcq h ALA 34 N 9.49 0.23 -3.32 5.23 0.00 -1.07 -3.45 119.26 126.36 2qcq h ALA 34 Ca -0.26 -0.95 0.35 0.00 0.00 0.00 0.00 54.91 54.05 2qcq h ALA 34 Cb 1.06 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 2qcq h ALA 34 CO 1.15 1.11 -0.97 0.66 0.00 0.00 0.00 179.25 181.21 2qcq n TYR 35 N -3.44 -3.61 -4.04 0.00 4.02 -0.64 -1.67 117.16 107.77 2qcq n TYR 35 Ca -0.07 1.92 -0.11 0.00 -0.01 0.00 0.00 57.90 59.63 2qcq n TYR 35 Cb 1.00 -3.28 -0.05 0.00 -0.02 0.00 0.00 39.34 36.98 2qcq n TYR 35 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 2qcq s TYR 36 N -3.60 0.64 -0.09 -0.72 -0.85 -0.28 -4.61 117.35 107.85 2qcq s TYR 36 Ca 0.00 -0.96 -0.00 0.00 -0.52 0.00 0.00 57.07 55.59 2qcq s TYR 36 Cb 0.00 0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.36 2qcq s TYR 36 CO 0.00 -1.01 -0.06 0.00 -1.52 0.00 0.00 175.55 172.96 2qcq s SER 38 N -0.55 -0.37 0.00 0.00 1.04 -0.95 -4.90 113.70 107.96 2qcq s SER 38 Ca 0.08 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2qcq s SER 38 Cb -0.12 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2qcq s SER 38 CO 0.02 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2qcq n GLY 39 N -0.36 2.69 3.76 7.32 0.00 -1.26 -1.56 105.19 115.78 2qcq n GLY 39 Ca -0.12 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 2qcq n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qcq s ALA 40 N -1.92 3.38 -0.65 4.61 0.00 0.26 -4.28 121.76 123.17 2qcq s ALA 40 Ca 0.00 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.82 2qcq s ALA 40 Cb 0.00 -3.31 0.16 0.00 0.00 0.00 0.00 23.12 19.98 2qcq s ALA 40 CO 0.00 -0.10 0.44 0.00 0.00 0.00 0.00 175.76 176.10 2qcq s GLN 42 N -0.64 2.01 0.17 0.00 0.74 -1.26 -4.18 119.66 116.50 2qcq s GLN 42 Ca 0.20 -0.99 -0.31 0.00 0.05 0.00 0.00 55.36 54.31 2qcq s GLN 42 Cb -0.17 -2.07 -0.09 0.00 1.10 0.00 0.00 33.01 31.79 2qcq s GLN 42 CO -0.06 0.54 1.41 0.12 -0.55 0.00 0.00 175.29 176.75 2qcq s PHE 43 N -0.75 3.17 -0.20 1.67 5.36 -1.26 -1.91 117.98 124.06 2qcq s PHE 43 Ca 0.11 0.96 -0.18 0.00 -0.96 0.00 0.00 56.93 56.87 2qcq s PHE 43 Cb -0.10 -3.73 -0.03 0.00 -0.34 0.00 0.00 43.02 38.81 2qcq s PHE 43 CO 0.01 -2.51 0.51 -1.25 -1.46 0.00 0.00 175.22 170.52 2qcq s PRO 44 N 0.58 4.18 0.18 10.12 0.04 -1.26 -5.07 135.00 143.77 2qcq s PRO 44 Ca 0.63 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 2qcq s PRO 44 Cb -0.39 -3.56 -0.08 0.00 0.04 0.00 0.00 34.50 30.51 2qcq s PRO 44 CO 0.34 -0.15 1.28 -1.64 0.04 0.00 0.00 177.00 176.88 2qcq s MET 45 N 1.63 4.41 0.64 4.56 -1.94 -0.81 -5.01 119.30 122.79 2qcq s MET 45 Ca 0.23 1.99 -0.18 0.00 -1.71 0.00 0.00 55.69 56.02 2qcq s MET 45 Cb -0.15 -3.22 -0.02 0.00 2.01 0.00 0.00 34.83 33.45 2qcq s MET 45 CO 0.09 -0.23 1.26 -2.14 -0.01 0.00 0.00 175.02 174.00 2qcq s PRO 46 N 0.05 2.65 0.65 2.03 0.02 -1.26 -4.90 135.00 134.25 2qcq s PRO 46 Ca 0.56 1.98 0.43 0.00 0.02 0.00 0.00 61.00 63.99 2qcq s PRO 46 Cb -0.35 -1.87 2.30 0.00 0.02 0.00 0.00 34.50 34.60 2qcq s PRO 46 CO 0.36 -1.50 2.33 0.87 -0.33 0.00 0.00 177.00 178.74 2qcq h LYS 47 N 0.60 0.00 0.00 5.54 1.57 -2.02 -2.13 116.57 120.13 2qcq h LYS 47 Ca -0.51 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 2qcq h LYS 47 Cb 1.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 2qcq h LYS 47 CO 0.53 0.00 -0.09 0.66 -0.57 0.00 0.00 179.45 179.99 2qcq h SER 48 N 0.00 0.00 0.39 0.86 4.64 -2.02 -2.32 113.55 115.11 2qcq h SER 48 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qcq h SER 48 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2qcq h SER 48 CO 0.00 0.09 0.00 0.18 -0.87 0.00 0.00 176.83 176.23 2qcq n LEU 49 N -3.18 0.00 -4.09 5.97 4.77 -0.80 -4.95 117.00 114.72 2qcq n LEU 49 Ca 0.01 0.24 -0.40 0.00 -0.03 0.00 0.00 56.01 55.83 2qcq n LEU 49 Cb 0.41 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2qcq n LEU 49 CO 0.31 -0.04 -0.24 0.29 -1.33 0.00 0.00 177.39 176.38 2qcq n LYS 50 N -1.24 -0.77 -2.36 3.23 5.02 -0.87 -0.92 118.16 120.25 2qcq n LYS 50 Ca 0.13 0.15 -0.35 0.00 -2.02 0.00 0.00 58.31 56.22 2qcq n LYS 50 Cb 0.18 -3.13 -0.01 0.00 -0.02 0.00 0.00 35.03 32.05 2qcq n LYS 50 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2qcq s PRO 51 N -7.20 3.53 0.90 1.97 0.04 -1.26 -4.29 135.00 128.70 2qcq s PRO 51 Ca 0.33 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 2qcq s PRO 51 Cb -0.17 -2.05 0.13 0.00 0.04 0.00 0.00 34.50 32.45 2qcq s PRO 51 CO 0.96 -0.69 1.12 -1.54 0.04 0.00 0.00 177.00 176.90 2qcq s SER 52 N -1.83 3.56 0.25 6.66 1.04 -1.20 -4.88 113.70 117.31 2qcq s SER 52 Ca 0.70 1.05 -0.04 0.00 0.48 0.00 0.00 55.95 58.14 2qcq s SER 52 Cb -0.21 -1.67 0.34 0.00 0.10 0.00 0.00 66.02 64.58 2qcq s SER 52 CO 0.25 -2.53 1.89 0.78 0.98 0.00 0.00 173.24 174.60 2qcq h ASN 53 N -1.48 1.01 -0.22 7.02 2.35 -1.96 -2.42 115.58 119.89 2qcq h ASN 53 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 2qcq h ASN 53 Cb 1.32 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 2qcq h ASN 53 CO 0.61 0.67 0.14 -0.74 -1.65 0.00 0.00 177.43 176.46 2qcq h HIS 54 N 1.17 0.28 -0.25 1.19 2.76 -1.94 -2.41 115.15 115.94 2qcq h HIS 54 Ca 0.40 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.52 2qcq h HIS 54 Cb 0.08 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 2qcq h HIS 54 CO -0.01 0.19 -0.06 0.00 -1.30 0.00 0.00 177.93 176.75 2qcq h ALA 55 N 1.07 1.43 -0.30 5.26 0.00 -1.73 0.94 119.26 125.93 2qcq h ALA 55 Ca 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2qcq h ALA 55 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2qcq h ALA 55 CO -0.02 0.40 0.11 1.15 0.00 0.00 0.00 179.25 180.89 2qcq h THR 56 N 0.38 1.19 -0.30 0.00 2.02 -1.34 -1.10 112.91 113.76 2qcq h THR 56 Ca 0.08 -0.59 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 2qcq h THR 56 Cb 0.36 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2qcq h THR 56 CO 0.02 0.20 -0.17 0.40 0.37 0.00 0.00 175.52 176.34 2qcq h ILE 57 N 0.32 1.30 -0.91 3.11 2.04 -0.96 -2.73 117.51 119.68 2qcq h ILE 57 Ca 0.10 -1.28 0.05 0.00 1.00 0.00 0.00 64.86 64.73 2qcq h ILE 57 Cb 0.21 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 2qcq h ILE 57 CO -0.01 0.41 0.58 -0.61 0.00 0.00 0.00 178.15 178.52 2qcq h GLN 58 N 0.39 1.04 -0.26 2.37 4.15 -0.84 -1.61 115.11 120.35 2qcq h GLN 58 Ca 0.06 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 2qcq h GLN 58 Cb 0.70 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 2qcq h GLN 58 CO 0.05 0.69 -0.12 0.66 -1.93 0.00 0.00 178.83 178.18 2qcq h SER 59 N 1.07 0.41 -0.06 -0.69 4.64 -1.09 -1.89 113.55 115.94 2qcq h SER 59 Ca 0.38 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.53 2qcq h SER 59 Cb 0.11 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2qcq h SER 59 CO -0.16 0.57 -0.26 0.40 -0.87 0.00 0.00 176.83 176.52 2qcq h ILE 60 N 0.40 1.44 -0.90 0.95 2.04 -1.21 -1.83 117.51 118.41 2qcq h ILE 60 Ca 0.08 -1.67 0.13 0.00 1.00 0.00 0.00 64.86 64.39 2qcq h ILE 60 Cb 0.45 2.35 -0.07 0.00 -0.74 0.00 0.00 36.82 38.81 2qcq h ILE 60 CO 0.03 0.47 0.58 0.58 0.00 0.00 0.00 178.15 179.81 2qcq h VAL 61 N -0.23 0.87 -0.04 1.67 2.07 -1.17 0.34 116.25 119.76 2qcq h VAL 61 Ca -0.01 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2qcq h VAL 61 Cb 0.90 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2qcq h VAL 61 CO 0.05 0.14 -0.03 -0.09 0.02 0.00 0.00 177.57 177.66 2qcq h ARG 62 N 0.77 0.10 -0.17 1.57 2.43 -1.34 -3.32 114.38 114.41 2qcq h ARG 62 Ca 0.45 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.56 2qcq h ARG 62 Cb 0.62 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2qcq h ARG 62 CO -0.21 0.53 0.08 0.00 -1.51 0.00 0.00 179.97 178.86 2qcq h ALA 63 N 0.57 0.23 -0.05 2.80 0.00 -0.80 -3.10 119.26 118.89 2qcq h ALA 63 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2qcq h ALA 63 Cb 0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2qcq h ALA 63 CO 0.01 -0.21 0.02 0.28 0.00 0.00 0.00 179.25 179.34 2qcq n VAL 64 N -4.88 2.15 0.00 0.00 0.31 0.12 -4.88 118.33 111.14 2qcq n VAL 64 Ca -0.04 -0.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 2qcq n VAL 64 Cb 0.10 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 2qcq n VAL 64 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qcq n GLY 65 N 1.45 1.54 3.81 2.92 0.00 -1.17 -4.87 105.19 108.87 2qcq n GLY 65 Ca 0.06 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2qcq n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qcq s VAL 66 N 0.00 3.79 -0.09 1.61 1.01 -1.26 -4.62 120.40 120.83 2qcq s VAL 66 Ca 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 2qcq s VAL 66 Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2qcq s VAL 66 CO 0.00 -0.76 0.03 0.52 0.00 0.00 0.00 175.10 174.89 2qcq n VAL 67 N -3.25 -5.83 -1.58 2.92 0.31 -1.26 -4.78 118.33 104.87 2qcq n VAL 67 Ca 0.08 0.76 -0.36 0.00 -0.01 0.00 0.00 64.34 64.81 2qcq n VAL 67 Cb 0.54 -4.88 0.08 0.00 -0.91 0.00 0.00 33.84 28.67 2qcq n VAL 67 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2qcq s PRO 68 N -0.67 2.33 -0.18 5.55 0.04 -1.26 -4.06 135.00 136.75 2qcq s PRO 68 Ca -0.03 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2qcq s PRO 68 Cb 0.00 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2qcq s PRO 68 CO 0.28 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 176.00 2qcq n GLY 69 N 0.66 0.50 3.59 0.56 0.00 -1.26 -4.98 105.19 104.25 2qcq n GLY 69 Ca 0.15 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2qcq n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qcq s ILE 70 N -1.86 4.23 1.08 -0.61 -1.09 -1.26 -5.03 121.20 116.67 2qcq s ILE 70 Ca 0.00 1.10 -0.14 0.00 -2.23 0.00 0.00 60.65 59.38 2qcq s ILE 70 Cb 0.00 -4.59 0.23 0.00 -1.58 0.00 0.00 42.46 36.52 2qcq s ILE 70 CO 0.00 -1.01 1.08 -2.16 -1.23 0.00 0.00 174.94 171.61 2qcq s PRO 71 N 4.38 -0.27 0.48 2.79 0.04 -1.26 -4.77 135.00 136.39 2qcq s PRO 71 Ca 0.46 0.43 -0.21 0.00 0.04 0.00 0.00 61.00 61.72 2qcq s PRO 71 Cb -0.08 -1.66 -0.08 0.00 0.04 0.00 0.00 34.50 32.72 2qcq s PRO 71 CO 0.30 -3.18 1.06 -1.21 0.04 0.00 0.00 177.00 174.01 2qcq s GLU 72 N -4.96 3.79 0.74 4.56 2.02 -1.26 -4.88 118.70 118.71 2qcq s GLU 72 Ca 0.67 1.42 -0.16 0.00 0.02 0.00 0.00 54.97 56.93 2qcq s GLU 72 Cb -0.18 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 31.88 2qcq s GLU 72 CO 0.59 -0.45 0.63 -2.30 0.02 0.00 0.00 175.26 173.74 2qcq n PRO 73 N -0.88 0.29 -3.07 0.39 -0.02 -1.26 -4.94 135.00 125.51 2qcq n PRO 73 Ca 0.09 0.14 -0.39 0.00 -2.02 0.00 0.00 63.50 61.32 2qcq n PRO 73 Cb 0.52 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 2qcq n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qcq s VAL 76 N 4.41 1.71 0.19 0.00 -7.23 -0.70 -4.62 120.40 114.17 2qcq s VAL 76 Ca 0.34 -1.90 -0.32 0.00 -1.81 0.00 0.00 61.98 58.29 2qcq s VAL 76 Cb -0.11 -1.80 -0.12 0.00 0.56 0.00 0.00 36.38 34.91 2qcq s VAL 76 CO 0.20 -0.36 1.73 -2.65 -0.31 0.00 0.00 175.10 173.71 2qcq n PRO 77 N 0.28 2.73 0.00 4.82 -0.02 -1.26 -0.72 135.00 140.83 2qcq n PRO 77 Ca -0.13 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2qcq n PRO 77 Cb 0.57 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 2qcq n PRO 77 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2qcq n GLU 78 N 4.20 0.00 -3.15 -0.52 2.13 0.91 -4.80 120.64 119.41 2qcq n GLU 78 Ca 0.16 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.59 2qcq n GLU 78 Cb 0.35 -0.35 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2qcq n GLU 78 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2qcq s LYS 79 N -0.89 4.36 0.17 5.31 2.47 -1.22 -4.93 119.74 125.01 2qcq s LYS 79 Ca 0.00 0.86 0.03 0.00 -1.56 0.00 0.00 55.97 55.30 2qcq s LYS 79 Cb 0.00 -3.30 -0.05 0.00 -1.46 0.00 0.00 37.83 33.02 2qcq s LYS 79 CO 0.00 0.46 -0.03 -1.64 0.16 0.00 0.00 175.35 174.30 2qcq s MET 80 N -0.57 1.13 0.20 4.03 -1.94 -1.26 -0.56 119.30 120.33 2qcq s MET 80 Ca 0.33 -1.53 0.03 0.00 -1.71 0.00 0.00 55.69 52.81 2qcq s MET 80 Cb -0.20 -0.45 -0.05 0.00 2.01 0.00 0.00 34.83 36.14 2qcq s MET 80 CO 0.20 -0.05 -0.02 -1.54 -0.01 0.00 0.00 175.02 173.60 2qcq s SER 81 N -3.19 1.64 0.65 3.03 1.04 -0.39 -4.85 113.70 111.62 2qcq s SER 81 Ca 0.22 -1.18 -0.10 0.00 0.48 0.00 0.00 55.95 55.37 2qcq s SER 81 Cb 0.05 0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 2qcq s SER 81 CO 0.03 -0.50 1.02 -0.44 0.98 0.00 0.00 173.24 174.33 2qcq s SER 82 N -3.25 5.71 -0.07 7.02 0.01 -1.26 -1.12 113.70 120.74 2qcq s SER 82 Ca 0.25 1.10 0.02 0.00 1.31 0.00 0.00 55.95 58.64 2qcq s SER 82 Cb 0.05 -2.03 0.01 0.00 0.21 0.00 0.00 66.02 64.27 2qcq s SER 82 CO 0.06 -1.13 -0.12 -0.22 0.41 0.00 0.00 173.24 172.24 2qcq s LEU 83 N -5.21 1.62 -0.26 2.44 2.96 0.05 -4.79 118.68 115.49 2qcq s LEU 83 Ca 0.56 -0.31 -0.27 0.00 -0.22 0.00 0.00 54.13 53.89 2qcq s LEU 83 Cb -0.11 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 45.75 2qcq s LEU 83 CO 0.51 0.02 0.96 -0.44 -1.32 0.00 0.00 176.35 176.08 2qcq s SER 84 N 0.75 6.94 -0.13 3.68 0.01 -1.26 0.13 113.70 123.82 2qcq s SER 84 Ca -0.13 1.14 0.02 0.00 1.31 0.00 0.00 55.95 58.28 2qcq s SER 84 Cb -0.16 -2.50 -0.00 0.00 0.21 0.00 0.00 66.02 63.57 2qcq s SER 84 CO 0.03 -0.66 -0.18 -0.63 0.41 0.00 0.00 173.24 172.20 2qcq s ILE 85 N 3.16 2.50 -0.21 1.44 1.01 0.83 -4.52 121.20 125.42 2qcq s ILE 85 Ca 0.40 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 60.04 2qcq s ILE 85 Cb -0.14 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2qcq s ILE 85 CO 0.09 0.54 0.44 -0.22 0.00 0.00 0.00 174.94 175.79 2qcq s LEU 86 N 0.52 4.14 0.24 2.97 2.96 0.64 -1.53 118.68 128.62 2qcq s LEU 86 Ca -0.12 0.56 -0.18 0.00 -0.22 0.00 0.00 54.13 54.17 2qcq s LEU 86 Cb -0.16 -2.59 0.02 0.00 0.50 0.00 0.00 46.19 43.96 2qcq s LEU 86 CO 0.05 -0.13 0.60 0.72 -1.32 0.00 0.00 176.35 176.26 2qcq s PHE 87 N 1.50 -0.03 -0.10 5.38 -0.71 -0.35 -0.25 117.98 123.42 2qcq s PHE 87 Ca 0.21 -0.36 -0.16 0.00 -1.04 0.00 0.00 56.93 55.57 2qcq s PHE 87 Cb -0.15 0.47 -0.05 0.00 -1.21 0.00 0.00 43.02 42.09 2qcq s PHE 87 CO 0.09 -1.07 0.42 -0.06 -1.34 0.00 0.00 175.22 173.25 2qcq s PHE 88 N -3.93 3.56 1.00 3.49 0.08 0.59 -0.24 117.98 122.52 2qcq s PHE 88 Ca 0.13 0.85 -0.13 0.00 0.12 0.00 0.00 56.93 57.90 2qcq s PHE 88 Cb -0.03 -2.43 0.12 0.00 -0.57 0.00 0.00 43.02 40.10 2qcq s PHE 88 CO 0.04 0.31 0.66 -0.25 -0.10 0.00 0.00 175.22 175.88 2qcq n ASP 89 N 3.16 -1.33 0.10 1.36 8.00 0.30 -4.85 116.55 123.29 2qcq n ASP 89 Ca -0.10 0.22 0.20 0.00 0.71 0.00 0.00 54.79 55.82 2qcq n ASP 89 Cb 0.52 -1.26 0.68 0.00 -0.02 0.00 0.00 41.12 41.03 2qcq n ASP 89 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2qcq h GLU 90 N -1.90 0.00 -0.40 -1.24 5.08 -1.99 -0.49 114.58 113.63 2qcq h GLU 90 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2qcq h GLU 90 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2qcq h GLU 90 CO 0.39 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.49 2qcq n ASN 91 N -3.41 3.11 -1.34 1.42 4.13 -1.26 -4.98 115.26 112.93 2qcq n ASN 91 Ca 0.08 -1.94 -0.14 0.00 1.68 0.00 0.00 54.58 54.26 2qcq n ASN 91 Cb 0.74 -0.27 -0.03 0.00 -1.54 0.00 0.00 39.78 38.69 2qcq n ASN 91 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qcq n LYS 92 N 0.90 -1.02 -2.65 3.52 4.76 -0.19 -5.02 118.16 118.45 2qcq n LYS 92 Ca 0.15 0.79 -0.41 0.00 -2.87 0.00 0.00 58.31 55.96 2qcq n LYS 92 Cb 0.48 -4.97 -0.04 0.00 -1.84 0.00 0.00 35.03 28.66 2qcq n LYS 92 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2qcq s ASN 93 N -2.58 7.42 -0.12 4.39 0.01 -1.26 -4.78 114.94 118.02 2qcq s ASN 93 Ca 0.00 1.90 -0.28 0.00 -0.71 0.00 0.00 52.86 53.77 2qcq s ASN 93 Cb 0.00 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 2qcq s ASN 93 CO 0.00 -0.11 0.95 -0.69 -1.51 0.00 0.00 177.10 175.74 2qcq s VAL 94 N -0.13 4.82 0.01 1.60 1.01 -1.26 -0.54 120.40 125.91 2qcq s VAL 94 Ca 0.48 1.90 0.06 0.00 0.00 0.00 0.00 61.98 64.42 2qcq s VAL 94 Cb -0.26 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 2qcq s VAL 94 CO 0.32 0.02 -0.18 -0.69 0.00 0.00 0.00 175.10 174.56 2qcq s VAL 95 N 2.03 1.43 -0.22 2.92 1.01 0.66 -4.97 120.40 123.25 2qcq s VAL 95 Ca 0.45 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 2qcq s VAL 95 Cb -0.18 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2qcq s VAL 95 CO 0.16 0.28 -0.11 -0.22 0.00 0.00 0.00 175.10 175.21 2qcq s LEU 96 N -0.75 2.83 0.01 3.92 2.96 -1.26 -1.21 118.68 125.18 2qcq s LEU 96 Ca 0.06 -0.81 0.03 0.00 -0.22 0.00 0.00 54.13 53.19 2qcq s LEU 96 Cb -0.08 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 2qcq s LEU 96 CO 0.00 -0.08 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.10 2qcq s LYS 97 N 1.30 0.74 -0.38 1.98 2.20 -0.58 -4.97 119.74 120.02 2qcq s LYS 97 Ca 0.01 -0.48 -0.18 0.00 -0.36 0.00 0.00 55.97 54.96 2qcq s LYS 97 Cb -0.16 -0.70 0.01 0.00 -1.51 0.00 0.00 37.83 35.47 2qcq s LYS 97 CO -0.07 0.18 0.52 0.08 -0.36 0.00 0.00 175.35 175.70 2qcq s VAL 98 N -0.51 4.99 -0.17 4.02 1.01 -1.26 -0.12 120.40 128.36 2qcq s VAL 98 Ca 0.01 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 2qcq s VAL 98 Cb -0.05 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2qcq s VAL 98 CO 0.00 -0.33 0.51 -0.31 0.00 0.00 0.00 175.10 174.97 2qcq s TYR 99 N 2.43 3.42 0.66 5.22 1.51 0.12 -4.91 117.35 125.80 2qcq s TYR 99 Ca 0.18 0.81 -0.11 0.00 -1.01 0.00 0.00 57.07 56.94 2qcq s TYR 99 Cb -0.15 -2.63 -0.01 0.00 -0.11 0.00 0.00 41.96 39.05 2qcq s TYR 99 CO 0.15 -0.01 1.06 -1.25 -1.11 0.00 0.00 175.55 174.39 2qcq s PRO 100 N 1.29 3.23 -1.26 -1.71 0.04 -1.26 -0.77 135.00 134.56 2qcq s PRO 100 Ca 0.25 0.60 -0.04 0.00 0.04 0.00 0.00 61.00 61.85 2qcq s PRO 100 Cb -0.15 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 2qcq s PRO 100 CO 0.10 -0.80 0.71 0.09 0.04 0.00 0.00 177.00 177.13 2qcq n ASN 101 N -2.88 -2.32 -0.09 6.66 3.02 -1.23 -4.86 115.26 113.56 2qcq n ASN 101 Ca 0.06 -0.86 -0.12 0.00 -0.03 0.00 0.00 54.58 53.64 2qcq n ASN 101 Cb 0.56 -3.94 -0.10 0.00 -0.61 0.00 0.00 39.78 35.68 2qcq n ASN 101 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2qcq n MET 102 N -4.17 0.84 -5.06 3.52 2.81 -0.27 -4.96 117.12 109.81 2qcq n MET 102 Ca -0.24 0.07 -0.29 0.00 -1.81 0.00 0.00 57.70 55.43 2qcq n MET 102 Cb 0.66 -1.40 -0.16 0.00 -0.71 0.00 0.00 33.22 31.61 2qcq n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2qcq s THR 103 N -2.39 1.77 -0.02 2.03 -4.23 -0.87 -4.72 115.64 107.21 2qcq s THR 103 Ca -0.20 -0.90 -0.30 0.00 -1.18 0.00 0.00 61.69 59.11 2qcq s THR 103 Cb 0.06 -1.51 -0.05 0.00 1.34 0.00 0.00 72.50 72.35 2qcq s THR 103 CO 0.52 0.50 1.30 -0.69 -0.54 0.00 0.00 174.62 175.70 2qcq s VAL 104 N -0.02 3.95 -0.23 2.29 1.01 -0.67 -1.27 120.40 125.47 2qcq s VAL 104 Ca -0.05 1.32 0.09 0.00 0.00 0.00 0.00 61.98 63.34 2qcq s VAL 104 Cb -0.13 -3.85 -0.20 0.00 0.00 0.00 0.00 36.38 32.19 2qcq s VAL 104 CO 0.03 0.01 -0.10 -0.62 0.00 0.00 0.00 175.10 174.43 2qcq n GLU 105 N 5.15 0.68 -3.87 2.72 -0.58 0.28 -4.82 120.64 120.20 2qcq n GLU 105 Ca 0.12 0.08 -0.09 0.00 -0.42 0.00 0.00 57.16 56.84 2qcq n GLU 105 Cb 0.45 -1.52 -0.06 0.00 -0.57 0.00 0.00 31.44 29.74 2qcq n GLU 105 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2qcq s SER 106 N -6.04 -0.04 0.15 1.62 1.04 -0.91 -4.93 113.70 104.59 2qcq s SER 106 Ca -0.24 -0.71 0.09 0.00 0.48 0.00 0.00 55.95 55.58 2qcq s SER 106 Cb 0.08 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 2qcq s SER 106 CO 0.70 -0.90 -0.21 0.00 0.98 0.00 0.00 173.24 173.81 2qcq s ALA 108 N -1.67 0.37 -0.26 0.00 0.00 0.10 -4.74 121.76 115.55 2qcq s ALA 108 Ca 0.14 -1.10 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 2qcq s ALA 108 Cb -0.08 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 2qcq s ALA 108 CO 0.07 -0.46 0.39 0.00 0.00 0.00 0.00 175.76 175.75