#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxr s TYR 2 N 0.00 3.69 0.63 1.12 4.12 -1.26 -5.07 117.35 120.58 1qxr s TYR 2 Ca 0.00 0.94 -0.15 0.00 0.02 0.00 0.00 57.07 57.88 1qxr s TYR 2 Cb 0.00 -2.30 -0.02 0.00 -1.52 0.00 0.00 41.96 38.12 1qxr s TYR 2 CO 0.00 0.58 1.08 0.15 0.02 0.00 0.00 175.55 177.38 1qxr s LYS 3 N -0.84 3.04 -0.13 -0.62 1.02 -1.26 -5.01 119.74 115.95 1qxr s LYS 3 Ca 0.23 1.26 -0.25 0.00 0.02 0.00 0.00 55.97 57.23 1qxr s LYS 3 Cb -0.16 -1.99 -0.02 0.00 -0.52 0.00 0.00 37.83 35.13 1qxr s LYS 3 CO 0.12 -1.04 0.79 -2.00 -0.92 0.00 0.00 175.35 172.30 1qxr s GLU 4 N -4.18 4.35 0.59 1.68 2.12 -1.26 -5.04 118.70 116.96 1qxr s GLU 4 Ca 0.64 0.98 -0.19 0.00 0.36 0.00 0.00 54.97 56.76 1qxr s GLU 4 Cb -0.18 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 1qxr s GLU 4 CO 0.41 -0.19 1.27 -2.14 -0.54 0.00 0.00 175.26 174.07 1qxr s PRO 5 N 1.66 2.90 0.06 4.30 0.02 -1.26 -5.05 135.00 137.64 1qxr s PRO 5 Ca 0.38 2.00 -0.17 0.00 0.02 0.00 0.00 61.00 63.23 1qxr s PRO 5 Cb -0.17 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.39 1qxr s PRO 5 CO 0.15 -1.30 0.40 -0.59 -0.33 0.00 0.00 177.00 175.33 1qxr s PHE 6 N -1.45 -0.24 0.04 6.54 -0.71 -1.26 -5.16 117.98 115.74 1qxr s PHE 6 Ca 0.77 0.12 0.06 0.00 -1.04 0.00 0.00 56.93 56.85 1qxr s PHE 6 Cb -0.35 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.65 1qxr s PHE 6 CO 0.39 -0.60 -0.16 0.20 -1.34 0.00 0.00 175.22 173.71 1qxr s GLY 7 N -2.21 1.62 0.05 1.99 0.00 -1.26 -5.14 107.32 102.37 1qxr s GLY 7 Ca -0.03 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.55 1qxr s GLY 7 CO -0.05 -1.07 -0.12 -1.34 0.00 0.00 0.00 173.10 170.52 1qxr s VAL 8 N -0.97 0.90 -0.06 1.40 -7.23 -1.26 -5.14 120.40 108.05 1qxr s VAL 8 Ca 0.16 -1.11 -0.26 0.00 -1.81 0.00 0.00 61.98 58.96 1qxr s VAL 8 Cb -0.11 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 1qxr s VAL 8 CO 0.06 -0.20 0.80 -0.54 -0.31 0.00 0.00 175.10 174.92 1qxr s LYS 9 N -1.47 4.46 -0.15 4.82 1.02 -1.26 -5.03 119.74 122.14 1qxr s LYS 9 Ca -0.03 1.06 -0.02 0.00 0.02 0.00 0.00 55.97 57.00 1qxr s LYS 9 Cb -0.09 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 1qxr s LYS 9 CO 0.01 -0.02 -0.07 0.08 -0.92 0.00 0.00 175.35 174.43 1qxr s VAL 10 N 1.02 3.52 -0.31 3.17 1.01 -1.26 -2.97 120.40 124.57 1qxr s VAL 10 Ca 0.42 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 1qxr s VAL 10 Cb -0.19 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1qxr s VAL 10 CO 0.21 0.50 0.56 -0.62 0.00 0.00 0.00 175.10 175.74 1qxr s ASP 11 N 0.45 6.41 0.30 3.32 -1.08 -0.58 -4.94 116.67 120.54 1qxr s ASP 11 Ca -0.06 0.27 0.26 0.00 -0.52 0.00 0.00 52.55 52.49 1qxr s ASP 11 Cb -0.15 -2.29 0.94 0.00 -1.46 0.00 0.00 42.92 39.96 1qxr s ASP 11 CO 0.04 -0.44 1.76 -0.26 0.52 0.00 0.00 175.17 176.79 1qxr h PHE 12 N 8.27 0.00 0.00 -5.34 -1.00 -1.95 0.39 116.94 117.31 1qxr h PHE 12 Ca -0.28 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.28 1qxr h PHE 12 Cb 1.13 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.65 1qxr h PHE 12 CO 0.75 0.00 -1.59 0.39 -1.61 0.00 0.00 178.31 176.24 1qxr n GLU 13 N -2.43 0.63 -0.00 1.51 -0.58 -1.26 -4.45 120.64 114.06 1qxr n GLU 13 Ca 0.03 0.22 0.02 0.00 -0.42 0.00 0.00 57.16 57.02 1qxr n GLU 13 Cb 0.32 -1.78 -0.03 0.00 -0.57 0.00 0.00 31.44 29.38 1qxr n GLU 13 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1qxr n THR 14 N -2.92 0.00 -0.87 2.62 -2.24 -1.16 -4.99 114.28 104.72 1qxr n THR 14 Ca -0.13 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1qxr n THR 14 Cb 0.93 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 1qxr n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qxr n GLY 15 N 1.42 0.58 3.73 3.38 0.00 0.14 -4.94 105.19 109.48 1qxr n GLY 15 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1qxr n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qxr s ILE 16 N -2.65 4.02 -0.27 -0.61 1.01 -1.24 -4.72 121.20 116.74 1qxr s ILE 16 Ca 0.00 1.59 -0.09 0.00 0.00 0.00 0.00 60.65 62.15 1qxr s ILE 16 Cb 0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1qxr s ILE 16 CO 0.00 0.20 0.13 -0.63 0.00 0.00 0.00 174.94 174.64 1qxr s ILE 17 N 0.39 4.73 0.07 2.92 1.01 -1.26 -1.53 121.20 127.53 1qxr s ILE 17 Ca 0.53 -0.09 -0.33 0.00 0.00 0.00 0.00 60.65 60.76 1qxr s ILE 17 Cb -0.29 -3.27 -0.12 0.00 0.01 0.00 0.00 42.46 38.79 1qxr s ILE 17 CO 0.32 0.26 1.75 -0.62 0.00 0.00 0.00 174.94 176.64 1qxr n GLU 18 N 4.99 2.34 -0.96 2.79 1.02 -1.16 -2.47 120.64 127.19 1qxr n GLU 18 Ca -0.15 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1qxr n GLU 18 Cb 0.51 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.25 1qxr n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qxr n GLY 19 N 3.96 1.06 3.85 0.62 0.00 -1.26 -4.81 105.19 108.60 1qxr n GLY 19 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1qxr n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxr s ALA 20 N -3.96 2.91 -0.08 4.61 0.00 -1.03 -5.00 121.76 119.21 1qxr s ALA 20 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 1qxr s ALA 20 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1qxr s ALA 20 CO 0.00 -0.89 1.45 0.21 0.00 0.00 0.00 175.76 176.54 1qxr s LYS 21 N -5.01 4.22 -0.19 0.00 2.47 -0.75 -4.77 119.74 115.72 1qxr s LYS 21 Ca 0.57 1.95 -0.10 0.00 -1.56 0.00 0.00 55.97 56.83 1qxr s LYS 21 Cb -0.12 -3.81 -0.05 0.00 -1.46 0.00 0.00 37.83 32.39 1qxr s LYS 21 CO 0.52 -0.73 0.13 0.21 0.16 0.00 0.00 175.35 175.65 1qxr s LYS 22 N 3.44 4.09 -0.00 4.03 2.20 -1.26 -0.68 119.74 131.56 1qxr s LYS 22 Ca 0.64 -0.21 0.06 0.00 -0.36 0.00 0.00 55.97 56.11 1qxr s LYS 22 Cb -0.29 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 1qxr s LYS 22 CO 0.23 0.36 -0.20 -1.12 -0.36 0.00 0.00 175.35 174.27 1qxr s SER 23 N 0.19 2.30 -0.11 1.43 0.01 -0.04 -4.97 113.70 112.50 1qxr s SER 23 Ca 0.09 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.99 1qxr s SER 23 Cb -0.11 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.89 1qxr s SER 23 CO -0.01 0.22 -0.17 -0.69 0.41 0.00 0.00 173.24 173.00 1qxr s VAL 24 N -0.52 1.65 -0.24 3.43 1.01 -1.26 -0.60 120.40 123.85 1qxr s VAL 24 Ca 0.07 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1qxr s VAL 24 Cb -0.08 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1qxr s VAL 24 CO -0.00 0.47 -0.01 -0.13 0.00 0.00 0.00 175.10 175.42 1qxr s ARG 25 N 0.92 3.20 0.40 2.72 1.81 0.02 -5.02 118.95 122.99 1qxr s ARG 25 Ca -0.07 -0.75 -0.00 0.00 -1.72 0.00 0.00 55.73 53.18 1qxr s ARG 25 Cb -0.15 -3.10 -0.02 0.00 -0.45 0.00 0.00 34.95 31.23 1qxr s ARG 25 CO -0.01 -0.30 0.62 1.03 -0.68 0.00 0.00 175.30 175.96 1qxr s ARG 26 N 1.45 3.33 0.35 3.54 0.52 -1.26 -0.40 118.95 126.49 1qxr s ARG 26 Ca 0.04 -0.34 0.10 0.00 -0.52 0.00 0.00 55.73 55.01 1qxr s ARG 26 Cb -0.15 -2.59 0.86 0.00 0.52 0.00 0.00 34.95 33.58 1qxr s ARG 26 CO -0.02 -0.05 1.83 1.25 0.02 0.00 0.00 175.30 178.34 1qxr h LEU 27 N 0.57 0.64 -1.68 2.53 5.85 -1.18 0.14 115.31 122.18 1qxr h LEU 27 Ca -0.48 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1qxr h LEU 27 Cb 1.23 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1qxr h LEU 27 CO 0.60 0.27 0.00 0.77 -0.34 0.00 0.00 178.44 179.74 1qxr h SER 28 N 0.65 0.00 0.13 1.25 4.64 -1.89 -0.11 113.55 118.22 1qxr h SER 28 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1qxr h SER 28 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1qxr h SER 28 CO -0.26 0.00 -0.06 0.47 -0.87 0.00 0.00 176.83 176.11 1qxr n ASP 29 N -2.48 0.79 -2.10 4.97 8.00 0.49 -4.15 116.55 122.07 1qxr n ASP 29 Ca -0.01 -1.05 -0.26 0.00 0.71 0.00 0.00 54.79 54.18 1qxr n ASP 29 Cb 0.08 -0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1qxr n ASP 29 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1qxr n MET 30 N -0.52 3.49 -1.70 -1.24 2.81 -0.05 -5.00 117.12 114.91 1qxr n MET 30 Ca 0.18 -4.09 -0.42 0.00 -1.81 0.00 0.00 57.70 51.57 1qxr n MET 30 Cb 0.27 -2.28 -0.03 0.00 -0.71 0.00 0.00 33.22 30.47 1qxr n MET 30 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1qxr s GLU 31 N -3.63 4.14 0.00 0.03 2.12 -1.26 -2.62 118.70 117.48 1qxr s GLU 31 Ca 0.52 2.61 0.00 0.00 0.36 0.00 0.00 54.97 58.46 1qxr s GLU 31 Cb 0.42 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 31.08 1qxr s GLU 31 CO 0.01 -0.88 0.00 0.41 -0.54 0.00 0.00 175.26 174.27 1qxr n GLY 32 N 4.32 0.53 0.11 -1.50 0.00 -1.26 -4.93 105.19 102.47 1qxr n GLY 32 Ca 0.18 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1qxr n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qxr n TYR 33 N -2.78 0.11 -3.53 1.61 4.02 -1.08 -4.91 117.16 110.59 1qxr n TYR 33 Ca 0.00 0.03 -0.35 0.00 -0.01 0.00 0.00 57.90 57.57 1qxr n TYR 33 Cb 0.00 -1.02 -0.06 0.00 -0.02 0.00 0.00 39.34 38.25 1qxr n TYR 33 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1qxr s PHE 34 N -2.51 3.60 0.13 -0.72 0.40 -1.26 -5.01 117.98 112.61 1qxr s PHE 34 Ca -0.21 0.85 -0.18 0.00 -0.60 0.00 0.00 56.93 56.79 1qxr s PHE 34 Cb 0.07 -2.21 -0.02 0.00 0.51 0.00 0.00 43.02 41.38 1qxr s PHE 34 CO 0.73 0.52 1.76 0.28 0.70 0.00 0.00 175.22 179.20 1qxr h VAL 35 N 2.94 0.98 -1.76 -0.44 2.07 -1.93 -3.35 116.25 114.75 1qxr h VAL 35 Ca -0.49 -0.09 -0.69 0.00 0.82 0.00 0.00 66.70 66.25 1qxr h VAL 35 Cb 1.20 0.70 -0.14 0.00 -1.52 0.00 0.00 31.29 31.52 1qxr h VAL 35 CO 0.66 0.05 1.42 -0.62 0.02 0.00 0.00 177.57 179.10 1qxr s ASP 36 N -5.36 6.80 0.37 0.57 -1.08 -1.26 -4.84 116.67 111.87 1qxr s ASP 36 Ca -0.13 -2.33 0.08 0.00 -0.52 0.00 0.00 52.55 49.64 1qxr s ASP 36 Cb 0.10 -2.47 0.80 0.00 -1.46 0.00 0.00 42.92 39.89 1qxr s ASP 36 CO 0.70 -1.06 1.95 -0.08 0.52 0.00 0.00 175.17 177.19 1qxr h GLU 37 N 8.19 0.67 -0.22 4.34 4.22 -1.99 -0.92 114.58 128.87 1qxr h GLU 37 Ca 0.28 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.57 1qxr h GLU 37 Cb 0.94 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1qxr h GLU 37 CO 1.29 0.44 -0.30 0.00 -2.18 0.00 0.00 179.01 178.26 1qxr h ARG 38 N 0.69 0.60 -0.76 1.92 3.08 -1.95 -0.06 114.38 117.90 1qxr h ARG 38 Ca 0.33 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1qxr h ARG 38 Cb 0.38 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1qxr h ARG 38 CO -0.11 0.95 0.36 0.00 -1.07 0.00 0.00 179.97 180.10 1qxr h ALA 39 N 0.64 1.20 -0.19 0.04 0.00 -1.79 0.19 119.26 119.35 1qxr h ALA 39 Ca 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1qxr h ALA 39 Cb 0.88 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1qxr h ALA 39 CO 0.07 0.61 0.11 2.35 0.00 0.00 0.00 179.25 182.39 1qxr h TRP 40 N 1.09 0.26 -0.46 0.00 7.01 -0.90 -0.27 115.95 122.68 1qxr h TRP 40 Ca 0.26 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.29 1qxr h TRP 40 Cb 0.12 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.06 1qxr h TRP 40 CO 0.01 0.22 0.25 -0.22 -2.79 0.00 0.00 178.44 175.91 1qxr h LYS 41 N 0.22 0.48 -0.32 2.65 3.64 -0.75 -2.17 116.57 120.33 1qxr h LYS 41 Ca 0.07 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1qxr h LYS 41 Cb 0.04 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1qxr h LYS 41 CO -0.01 0.32 0.18 1.49 -2.27 0.00 0.00 179.45 179.16 1qxr h GLU 42 N 0.50 0.44 -0.30 1.90 4.81 -0.61 -2.18 114.58 119.15 1qxr h GLU 42 Ca 0.19 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1qxr h GLU 42 Cb 0.06 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1qxr h GLU 42 CO -0.11 0.36 -0.23 1.25 -0.73 0.00 0.00 179.01 179.54 1qxr h LEU 43 N 0.40 0.57 -0.55 1.64 5.85 -0.99 -0.67 115.31 121.57 1qxr h LEU 43 Ca 0.11 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1qxr h LEU 43 Cb 0.04 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1qxr h LEU 43 CO -0.02 0.80 0.22 0.58 -0.34 0.00 0.00 178.44 179.68 1qxr h VAL 44 N 0.50 1.22 -0.27 1.05 2.07 -1.18 -1.10 116.25 118.54 1qxr h VAL 44 Ca 0.07 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1qxr h VAL 44 Cb 0.68 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1qxr h VAL 44 CO 0.05 0.26 0.00 -0.33 0.02 0.00 0.00 177.57 177.58 1qxr h GLU 45 N 0.75 0.48 -0.20 1.57 4.39 -1.07 -1.31 114.58 119.19 1qxr h GLU 45 Ca 0.18 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 1qxr h GLU 45 Cb 0.20 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1qxr h GLU 45 CO -0.01 0.64 -0.23 -0.22 -1.16 0.00 0.00 179.01 178.02 1qxr h LYS 46 N 0.27 0.36 0.00 2.33 3.64 -1.06 -3.43 116.57 118.68 1qxr h LYS 46 Ca 0.08 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1qxr h LYS 46 Cb 0.42 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1qxr h LYS 46 CO 0.01 0.58 0.00 -1.91 -2.27 0.00 0.00 179.45 175.86 1qxr n GLU 47 N -4.15 0.24 -3.98 1.90 2.13 -0.52 -5.07 120.64 111.19 1qxr n GLU 47 Ca -0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 1qxr n GLU 47 Cb 0.37 -0.02 0.01 0.00 0.27 0.00 0.00 31.44 32.07 1qxr n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1qxr n ASP 48 N -0.03 -3.40 -4.75 4.31 2.03 -0.50 -4.88 116.55 109.34 1qxr n ASP 48 Ca 0.00 -1.04 -0.33 0.00 0.52 0.00 0.00 54.79 53.93 1qxr n ASP 48 Cb 0.00 -1.29 0.07 0.00 -0.72 0.00 0.00 41.12 39.18 1qxr n ASP 48 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1qxr s PRO 49 N -6.76 2.50 -0.02 -0.67 0.04 -1.26 -4.54 135.00 124.28 1qxr s PRO 49 Ca 0.36 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 1qxr s PRO 49 Cb -0.20 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1qxr s PRO 49 CO 0.79 -1.50 1.42 0.08 0.04 0.00 0.00 177.00 177.82 1qxr s VAL 50 N -2.28 3.75 -0.12 -0.36 1.01 -1.26 -0.75 120.40 120.40 1qxr s VAL 50 Ca 0.69 1.09 -0.14 0.00 0.00 0.00 0.00 61.98 63.62 1qxr s VAL 50 Cb -0.23 -3.70 -0.26 0.00 0.00 0.00 0.00 36.38 32.19 1qxr s VAL 50 CO 0.44 -0.02 0.46 0.58 0.00 0.00 0.00 175.10 176.56 1qxr h VAL 51 N 5.04 0.90 -2.73 2.92 2.07 -1.01 -3.43 116.25 120.01 1qxr h VAL 51 Ca -0.37 -2.36 -0.05 0.00 0.82 0.00 0.00 66.70 64.74 1qxr h VAL 51 Cb 1.17 2.59 -0.15 0.00 -1.52 0.00 0.00 31.29 33.38 1qxr h VAL 51 CO 0.91 0.71 0.11 -0.72 0.02 0.00 0.00 177.57 178.61 1qxr s TYR 52 N -2.49 -0.49 0.05 1.57 -0.85 -1.04 -0.45 117.35 113.64 1qxr s TYR 52 Ca -0.22 0.52 0.08 0.00 -0.52 0.00 0.00 57.07 56.93 1qxr s TYR 52 Cb 0.05 0.41 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1qxr s TYR 52 CO 0.75 -0.70 -0.22 -1.21 -1.52 0.00 0.00 175.55 172.65 1qxr s GLU 53 N -2.67 1.42 -0.02 -3.49 2.02 -0.50 -0.80 118.70 114.66 1qxr s GLU 53 Ca -0.04 -0.99 0.06 0.00 0.02 0.00 0.00 54.97 54.03 1qxr s GLU 53 Cb -0.00 -1.56 -0.01 0.00 0.10 0.00 0.00 34.13 32.65 1qxr s GLU 53 CO -0.03 0.40 -0.21 0.08 0.02 0.00 0.00 175.26 175.51 1qxr s VAL 54 N -0.84 1.66 -0.27 2.63 1.01 0.23 -0.53 120.40 124.30 1qxr s VAL 54 Ca 0.08 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1qxr s VAL 54 Cb -0.09 -1.39 0.05 0.00 0.00 0.00 0.00 36.38 34.96 1qxr s VAL 54 CO 0.02 0.47 -0.07 -0.31 0.00 0.00 0.00 175.10 175.21 1qxr s TYR 55 N -0.43 3.23 -0.06 5.22 1.51 0.41 -0.86 117.35 126.38 1qxr s TYR 55 Ca 0.06 -2.09 0.05 0.00 -1.01 0.00 0.00 57.07 54.08 1qxr s TYR 55 Cb -0.09 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 1qxr s TYR 55 CO -0.00 -0.84 -0.19 0.00 -1.11 0.00 0.00 175.55 173.41 1qxr s ALA 56 N 1.18 2.44 -0.32 3.71 0.00 0.14 -0.69 121.76 128.22 1qxr s ALA 56 Ca -0.07 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1qxr s ALA 56 Cb -0.19 -0.84 0.09 0.00 0.00 0.00 0.00 23.12 22.18 1qxr s ALA 56 CO -0.04 0.48 0.02 0.08 0.00 0.00 0.00 175.76 176.30 1qxr s VAL 57 N -0.44 2.17 0.20 0.00 1.01 0.74 -1.80 120.40 122.28 1qxr s VAL 57 Ca 0.05 -2.14 0.10 0.00 0.00 0.00 0.00 61.98 59.99 1qxr s VAL 57 Cb -0.12 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1qxr s VAL 57 CO 0.02 -0.49 -0.14 -1.61 0.00 0.00 0.00 175.10 172.87 1qxr s GLU 58 N 0.99 1.87 0.51 2.72 2.02 -1.26 -2.14 118.70 123.42 1qxr s GLU 58 Ca 0.07 -1.39 0.06 0.00 0.02 0.00 0.00 54.97 53.72 1qxr s GLU 58 Cb -0.19 -2.03 0.02 0.00 0.10 0.00 0.00 34.13 32.03 1qxr s GLU 58 CO -0.08 0.41 0.38 -0.65 0.02 0.00 0.00 175.26 175.34 1qxr s GLN 59 N -2.87 2.29 0.69 1.61 -1.52 -1.26 -5.06 119.66 113.54 1qxr s GLN 59 Ca 0.24 -1.94 -0.15 0.00 -1.95 0.00 0.00 55.36 51.56 1qxr s GLN 59 Cb -0.08 -2.13 0.02 0.00 -0.22 0.00 0.00 33.01 30.60 1qxr s GLN 59 CO 0.14 -0.51 1.17 -1.21 -0.25 0.00 0.00 175.29 174.63 1qxr s GLU 60 N -4.22 2.46 -1.26 2.91 2.02 -1.26 -4.88 118.70 114.47 1qxr s GLU 60 Ca 0.37 1.64 -0.20 0.00 0.02 0.00 0.00 54.97 56.80 1qxr s GLU 60 Cb -0.02 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.34 1qxr s GLU 60 CO 0.22 -1.56 1.80 -1.21 0.02 0.00 0.00 175.26 174.53 1qxr s GLU 61 N -3.90 3.46 0.09 1.61 2.02 -1.26 -4.76 118.70 115.97 1qxr s GLU 61 Ca 0.72 -1.70 0.09 0.00 0.02 0.00 0.00 54.97 54.10 1qxr s GLU 61 Cb -0.26 -5.43 -0.03 0.00 0.10 0.00 0.00 34.13 28.50 1qxr s GLU 61 CO 0.42 -2.86 -0.23 0.15 0.02 0.00 0.00 175.26 172.76 1qxr s LYS 62 N 5.02 1.31 0.28 1.61 1.02 -1.26 -4.78 119.74 122.94 1qxr s LYS 62 Ca 0.59 -1.17 -0.30 0.00 0.02 0.00 0.00 55.97 55.11 1qxr s LYS 62 Cb 0.02 -1.61 -0.12 0.00 -0.52 0.00 0.00 37.83 35.60 1qxr s LYS 62 CO 0.10 0.39 1.50 0.39 -0.92 0.00 0.00 175.35 176.80 1qxr n GLU 63 N 1.25 2.40 -0.22 1.68 1.02 -1.26 -2.72 120.64 122.78 1qxr n GLU 63 Ca -0.18 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1qxr n GLU 63 Cb 0.53 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 1qxr n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qxr n GLY 64 N 2.03 1.89 3.97 0.62 0.00 -1.26 -5.03 105.19 107.41 1qxr n GLY 64 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1qxr n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qxr s ASP 65 N -3.38 5.50 -0.00 1.61 -1.08 -1.10 -4.99 116.67 113.24 1qxr s ASP 65 Ca 0.00 0.10 0.02 0.00 -0.52 0.00 0.00 52.55 52.15 1qxr s ASP 65 Cb 0.00 -1.14 -0.01 0.00 -1.46 0.00 0.00 42.92 40.32 1qxr s ASP 65 CO 0.00 -0.96 -0.05 -0.76 0.52 0.00 0.00 175.17 173.92 1qxr s LEU 66 N -4.67 2.03 0.21 -1.34 1.43 -1.26 -1.00 118.68 114.07 1qxr s LEU 66 Ca 0.54 -0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 1qxr s LEU 66 Cb -0.10 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 1qxr s LEU 66 CO 0.38 0.04 0.11 0.20 0.23 0.00 0.00 176.35 177.31 1qxr s ASN 67 N -0.23 5.25 0.01 2.29 0.01 -0.05 -4.59 114.94 117.63 1qxr s ASN 67 Ca 0.01 -0.29 -0.08 0.00 -0.71 0.00 0.00 52.86 51.79 1qxr s ASN 67 Cb -0.02 -1.27 0.00 0.00 0.41 0.00 0.00 41.25 40.37 1qxr s ASN 67 CO -0.00 0.03 0.16 0.72 -1.51 0.00 0.00 177.10 176.49 1qxr s PHE 68 N -1.95 0.03 -0.15 2.20 -0.12 -0.91 -1.62 117.98 115.46 1qxr s PHE 68 Ca 0.31 -0.12 -0.20 0.00 -0.05 0.00 0.00 56.93 56.86 1qxr s PHE 68 Cb -0.09 -0.04 0.05 0.00 -0.63 0.00 0.00 43.02 42.32 1qxr s PHE 68 CO 0.22 -0.31 0.53 0.00 -0.05 0.00 0.00 175.22 175.61 1qxr s ALA 69 N -1.52 -1.33 0.23 1.99 0.00 0.31 -0.18 121.76 121.26 1qxr s ALA 69 Ca -0.14 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.17 1qxr s ALA 69 Cb -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1qxr s ALA 69 CO 0.01 -0.27 0.39 0.95 0.00 0.00 0.00 175.76 176.84 1qxr s THR 70 N -0.17 5.22 -0.01 0.00 -4.23 0.14 0.54 115.64 117.12 1qxr s THR 70 Ca -0.04 -0.61 0.03 0.00 -1.18 0.00 0.00 61.69 59.90 1qxr s THR 70 Cb -0.03 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 1qxr s THR 70 CO 0.03 -0.27 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.83 1qxr s THR 71 N -1.96 0.91 -0.38 3.99 2.01 -0.65 -0.44 115.64 119.11 1qxr s THR 71 Ca 0.37 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.86 1qxr s THR 71 Cb -0.10 -0.77 0.09 0.00 0.01 0.00 0.00 72.50 71.73 1qxr s THR 71 CO 0.30 0.26 0.15 -0.69 -0.69 0.00 0.00 174.62 173.96 1qxr s VAL 72 N -0.15 3.38 -0.43 3.82 1.01 0.31 -2.23 120.40 126.10 1qxr s VAL 72 Ca 0.02 -1.74 -0.17 0.00 0.00 0.00 0.00 61.98 60.09 1qxr s VAL 72 Cb -0.06 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1qxr s VAL 72 CO -0.00 -0.49 0.44 -0.22 0.00 0.00 0.00 175.10 174.83 1qxr s LEU 73 N 1.22 4.93 0.56 3.92 0.20 0.11 -1.41 118.68 128.22 1qxr s LEU 73 Ca 0.04 -0.74 -0.17 0.00 0.69 0.00 0.00 54.13 53.94 1qxr s LEU 73 Cb -0.22 -2.37 -0.05 0.00 -0.43 0.00 0.00 46.19 43.12 1qxr s LEU 73 CO -0.02 -0.60 1.06 -0.31 -0.29 0.00 0.00 176.35 176.19 1qxr s TYR 74 N 2.11 2.93 0.37 5.38 2.02 0.40 -0.88 117.35 129.68 1qxr s TYR 74 Ca 0.11 1.54 -0.25 0.00 -0.37 0.00 0.00 57.07 58.10 1qxr s TYR 74 Cb -0.18 -3.06 -0.09 0.00 -0.40 0.00 0.00 41.96 38.23 1qxr s TYR 74 CO 0.13 -1.11 1.07 -1.25 -1.57 0.00 0.00 175.55 172.82 1qxr s PRO 75 N -3.74 4.27 0.00 -1.71 0.04 -1.26 -4.75 135.00 127.85 1qxr s PRO 75 Ca 0.66 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1qxr s PRO 75 Cb -0.17 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1qxr s PRO 75 CO 0.31 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.69 1qxr n GLY 76 N 0.59 0.83 3.01 0.56 0.00 -1.26 -4.98 105.19 103.94 1qxr n GLY 76 Ca 0.03 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 1qxr n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qxr s LYS 77 N -2.00 0.39 -0.32 1.61 1.02 -1.26 -0.64 119.74 118.54 1qxr s LYS 77 Ca 0.00 -0.63 -0.00 0.00 0.02 0.00 0.00 55.97 55.35 1qxr s LYS 77 Cb 0.00 -0.08 0.07 0.00 -0.52 0.00 0.00 37.83 37.30 1qxr s LYS 77 CO 0.00 0.00 0.03 0.08 -0.92 0.00 0.00 175.35 174.54 1qxr s VAL 78 N -1.32 2.81 0.00 3.17 1.01 0.97 -4.90 120.40 122.14 1qxr s VAL 78 Ca -0.12 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.15 1qxr s VAL 78 Cb -0.09 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1qxr s VAL 78 CO -0.00 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.42 1qxr n GLY 79 N 4.53 3.12 0.49 4.51 0.00 -1.26 -1.15 105.19 115.43 1qxr n GLY 79 Ca -0.08 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1qxr n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qxr n LYS 80 N 9.40 1.49 -3.16 1.61 5.02 -1.26 -4.96 118.16 126.31 1qxr n LYS 80 Ca 0.00 -1.02 -0.40 0.00 -2.02 0.00 0.00 58.31 54.87 1qxr n LYS 80 Cb 0.00 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 1qxr n LYS 80 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1qxr s GLU 81 N -2.14 4.26 0.43 1.97 2.12 -0.30 -0.85 118.70 124.19 1qxr s GLU 81 Ca 0.17 0.60 -0.26 0.00 0.36 0.00 0.00 54.97 55.84 1qxr s GLU 81 Cb 0.16 -3.53 -0.09 0.00 0.26 0.00 0.00 34.13 30.93 1qxr s GLU 81 CO 0.46 -0.12 1.40 -0.06 -0.54 0.00 0.00 175.26 176.40 1qxr s PHE 82 N 1.50 2.58 0.29 5.30 0.40 -0.97 -0.02 117.98 127.05 1qxr s PHE 82 Ca 0.29 1.30 -0.27 0.00 -0.60 0.00 0.00 56.93 57.64 1qxr s PHE 82 Cb -0.16 -3.86 -0.14 0.00 0.51 0.00 0.00 43.02 39.37 1qxr s PHE 82 CO 0.11 -2.69 0.90 1.19 0.70 0.00 0.00 175.22 175.43 1qxr n PHE 83 N -0.03 0.87 -3.87 0.36 3.01 0.18 -4.82 117.46 113.16 1qxr n PHE 83 Ca 0.04 0.73 -0.09 0.00 1.01 0.00 0.00 57.45 59.14 1qxr n PHE 83 Cb 0.42 -2.18 -0.05 0.00 -0.01 0.00 0.00 39.48 37.65 1qxr n PHE 83 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 1qxr s PHE 84 N -1.10 0.16 0.51 1.38 -0.12 -1.26 -1.93 117.98 115.62 1qxr s PHE 84 Ca 0.60 -0.51 -0.12 0.00 -0.05 0.00 0.00 56.93 56.84 1qxr s PHE 84 Cb -0.72 0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 41.80 1qxr s PHE 84 CO 0.59 -0.85 0.92 0.95 -0.05 0.00 0.00 175.22 176.78 1qxr s THR 85 N -3.93 4.68 0.27 -4.49 -4.23 -0.75 -4.93 115.64 102.26 1qxr s THR 85 Ca 0.14 0.87 -0.01 0.00 -1.18 0.00 0.00 61.69 61.51 1qxr s THR 85 Cb 0.01 -3.78 0.26 0.00 1.34 0.00 0.00 72.50 70.33 1qxr s THR 85 CO -0.00 -0.78 1.83 0.11 -0.54 0.00 0.00 174.62 175.24 1qxr h LYS 86 N 0.62 0.91 0.00 3.99 1.57 -1.94 -3.42 116.57 118.31 1qxr h LYS 86 Ca -0.46 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1qxr h LYS 86 Cb 1.19 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1qxr h LYS 86 CO 0.62 0.60 0.00 0.41 -0.57 0.00 0.00 179.45 180.51 1qxr n GLY 87 N -1.34 -0.93 3.43 3.86 0.00 -1.26 -4.87 105.19 104.08 1qxr n GLY 87 Ca 0.17 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 1qxr n GLY 87 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qxr s HIS 88 N -2.68 -0.55 0.53 1.61 -3.43 -1.11 -4.72 115.29 104.94 1qxr s HIS 88 Ca 0.00 0.42 -0.02 0.00 -0.80 0.00 0.00 55.06 54.66 1qxr s HIS 88 Cb 0.00 0.54 0.01 0.00 -1.43 0.00 0.00 32.58 31.70 1qxr s HIS 88 CO 0.00 -0.82 0.79 -0.06 -2.00 0.00 0.00 174.74 172.65 1qxr s PHE 89 N -3.43 3.13 0.38 0.38 0.08 -0.75 -1.90 117.98 115.87 1qxr s PHE 89 Ca -0.00 0.32 -0.11 0.00 0.12 0.00 0.00 56.93 57.25 1qxr s PHE 89 Cb -0.01 -2.60 -0.07 0.00 -0.57 0.00 0.00 43.02 39.77 1qxr s PHE 89 CO -0.10 -0.69 0.76 -1.01 -0.10 0.00 0.00 175.22 174.08 1qxr s HIS 90 N -2.78 3.45 0.15 0.36 3.76 -1.26 -0.38 115.29 118.57 1qxr s HIS 90 Ca 0.53 1.08 -0.15 0.00 -0.15 0.00 0.00 55.06 56.37 1qxr s HIS 90 Cb -0.10 -2.46 0.02 0.00 1.11 0.00 0.00 32.58 31.15 1qxr s HIS 90 CO 0.41 -0.06 1.70 0.00 -0.85 0.00 0.00 174.74 175.94 1qxr h ALA 91 N 1.49 0.60 -1.80 -1.40 0.00 -0.74 -3.27 119.26 114.15 1qxr h ALA 91 Ca -0.47 -0.14 -0.67 0.00 0.00 0.00 0.00 54.91 53.63 1qxr h ALA 91 Cb 1.18 -0.18 -0.17 0.00 0.00 0.00 0.00 17.79 18.62 1qxr h ALA 91 CO 0.64 0.20 0.33 0.15 0.00 0.00 0.00 179.25 180.57 1qxr s LYS 92 N -5.58 3.10 0.40 0.00 1.02 -0.67 -4.92 119.74 113.10 1qxr s LYS 92 Ca -0.13 -1.13 0.15 0.00 0.02 0.00 0.00 55.97 54.88 1qxr s LYS 92 Cb 0.11 -4.27 1.02 0.00 -0.52 0.00 0.00 37.83 34.17 1qxr s LYS 92 CO 0.76 -1.67 1.86 -0.07 -0.92 0.00 0.00 175.35 175.31 1qxr h LEU 93 N 10.59 0.46 -1.05 3.17 3.38 -1.87 -1.97 115.31 128.03 1qxr h LEU 93 Ca -0.27 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1qxr h LEU 93 Cb 1.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1qxr h LEU 93 CO 1.14 0.20 0.00 -0.90 0.09 0.00 0.00 178.44 178.97 1qxr n ASP 94 N -4.53 1.44 -4.73 -0.43 3.85 -1.26 -0.21 116.55 110.69 1qxr n ASP 94 Ca 0.18 -2.09 -0.40 0.00 -0.71 0.00 0.00 54.79 51.77 1qxr n ASP 94 Cb 0.63 -0.29 -0.05 0.00 -1.35 0.00 0.00 41.12 40.07 1qxr n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1qxr s ARG 95 N -1.63 4.52 0.75 0.11 3.00 -0.74 -4.49 118.95 120.46 1qxr s ARG 95 Ca 0.13 1.13 -0.05 0.00 0.00 0.00 0.00 55.73 56.94 1qxr s ARG 95 Cb 0.08 -3.40 0.12 0.00 0.00 0.00 0.00 34.95 31.75 1qxr s ARG 95 CO 0.07 0.18 1.04 0.00 0.00 0.00 0.00 175.30 176.59 1qxr s ALA 96 N 0.30 3.29 0.03 2.13 0.00 -1.26 -4.32 121.76 121.92 1qxr s ALA 96 Ca 0.41 -1.38 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 1qxr s ALA 96 Cb -0.20 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.61 1qxr s ALA 96 CO 0.24 -1.55 0.28 -2.00 0.00 0.00 0.00 175.76 172.73 1qxr s GLU 97 N -5.28 0.75 -0.07 0.00 2.12 -0.44 -4.23 118.70 111.56 1qxr s GLU 97 Ca 0.65 -0.47 0.04 0.00 0.36 0.00 0.00 54.97 55.55 1qxr s GLU 97 Cb -0.07 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.65 1qxr s GLU 97 CO 0.46 -0.23 -0.19 0.08 -0.54 0.00 0.00 175.26 174.83 1qxr s VAL 98 N -2.32 1.64 0.01 3.70 1.01 -0.57 -1.28 120.40 122.60 1qxr s VAL 98 Ca -0.07 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1qxr s VAL 98 Cb -0.02 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1qxr s VAL 98 CO -0.02 0.47 -0.20 -0.31 0.00 0.00 0.00 175.10 175.03 1qxr s TYR 99 N 0.23 2.50 -0.15 5.22 1.51 -0.27 -1.12 117.35 125.27 1qxr s TYR 99 Ca -0.10 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1qxr s TYR 99 Cb -0.15 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.23 1qxr s TYR 99 CO 0.05 0.16 -0.14 0.08 -1.11 0.00 0.00 175.55 174.58 1qxr s VAL 100 N -0.80 1.58 0.01 0.71 1.01 0.11 -1.19 120.40 121.84 1qxr s VAL 100 Ca 0.12 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 1qxr s VAL 100 Cb -0.10 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1qxr s VAL 100 CO 0.02 0.46 0.73 0.00 0.00 0.00 0.00 175.10 176.31 1qxr s ALA 101 N 1.48 3.38 -0.14 5.51 0.00 0.01 -0.34 121.76 131.66 1qxr s ALA 101 Ca 0.05 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1qxr s ALA 101 Cb -0.13 -2.95 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 1qxr s ALA 101 CO -0.11 0.04 -0.13 1.28 0.00 0.00 0.00 175.76 176.85 1qxr n LEU 102 N 3.01 2.91 -3.57 0.00 4.77 -0.14 -0.64 117.00 123.34 1qxr n LEU 102 Ca -0.03 -0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.72 1qxr n LEU 102 Cb 0.51 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1qxr n LEU 102 CO 0.47 0.73 0.40 -0.75 -1.33 0.00 0.00 177.39 176.90 1qxr s LYS 103 N -2.29 0.97 0.61 3.23 2.20 -0.96 -4.71 119.74 118.79 1qxr s LYS 103 Ca -0.19 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1qxr s LYS 103 Cb 0.05 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 36.83 1qxr s LYS 103 CO 0.33 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 1qxr n GLY 104 N 1.45 -1.89 2.89 5.54 0.00 -1.25 -0.72 105.19 111.21 1qxr n GLY 104 Ca -0.18 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 43.88 1qxr n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qxr s LYS 105 N 0.00 1.35 0.00 1.61 1.02 -1.26 -4.06 119.74 118.40 1qxr s LYS 105 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.79 1qxr s LYS 105 Cb 0.00 -1.43 0.00 0.00 -0.52 0.00 0.00 37.83 35.88 1qxr s LYS 105 CO 0.00 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.60 1qxr n GLY 106 N 4.84 3.47 3.88 -3.33 0.00 -0.85 -1.76 105.19 111.43 1qxr n GLY 106 Ca -0.13 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.34 1qxr n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qxr s GLY 107 N 0.00 -0.26 -0.07 -0.02 0.00 -0.36 -1.36 107.32 105.25 1qxr s GLY 107 Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 44.72 45.10 1qxr s GLY 107 CO 0.00 4.40 -0.22 -0.29 0.00 0.00 0.00 173.10 177.00 1qxr s MET 108 N -2.06 2.76 -0.18 2.90 1.75 -0.16 -0.26 119.30 124.04 1qxr s MET 108 Ca 0.26 -0.84 -0.07 0.00 -1.25 0.00 0.00 55.69 53.79 1qxr s MET 108 Cb 0.02 -2.28 -0.04 0.00 2.84 0.00 0.00 34.83 35.37 1qxr s MET 108 CO -0.03 0.35 0.05 -1.17 -0.65 0.00 0.00 175.02 173.58 1qxr s LEU 109 N -0.07 3.74 0.11 4.11 2.96 0.62 -1.38 118.68 128.77 1qxr s LEU 109 Ca -0.05 0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 1qxr s LEU 109 Cb -0.14 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1qxr s LEU 109 CO 0.04 0.16 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.28 1qxr s LEU 110 N 0.45 2.32 0.01 -0.68 1.02 0.02 -0.57 118.68 121.26 1qxr s LEU 110 Ca 0.02 -0.71 -0.17 0.00 0.02 0.00 0.00 54.13 53.29 1qxr s LEU 110 Cb -0.13 -0.80 0.03 0.00 0.02 0.00 0.00 46.19 45.31 1qxr s LEU 110 CO 0.01 0.01 0.38 0.00 0.02 0.00 0.00 176.35 176.77 1qxr s GLN 111 N -2.05 0.81 0.76 1.70 -2.07 -0.75 -0.86 119.66 117.19 1qxr s GLN 111 Ca 0.07 -0.26 -0.09 0.00 -1.82 0.00 0.00 55.36 53.25 1qxr s GLN 111 Cb -0.09 0.36 0.07 0.00 -1.09 0.00 0.00 33.01 32.26 1qxr s GLN 111 CO 0.04 -0.25 1.10 0.95 -1.32 0.00 0.00 175.29 175.81 1qxr s THR 112 N -1.91 2.17 0.57 3.63 -4.23 -0.11 -0.65 115.64 115.12 1qxr s THR 112 Ca -0.09 -0.11 0.27 0.00 -1.18 0.00 0.00 61.69 60.58 1qxr s THR 112 Cb -0.02 -3.02 0.37 0.00 1.34 0.00 0.00 72.50 71.17 1qxr s THR 112 CO 0.01 -0.02 2.03 -0.65 -0.54 0.00 0.00 174.62 175.46 1qxr h PRO 113 N -0.83 0.00 -0.04 3.99 0.11 -1.92 -0.86 132.00 132.46 1qxr h PRO 113 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qxr h PRO 113 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1qxr h PRO 113 CO 0.63 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 1qxr n GLU 114 N -3.97 1.46 -0.33 1.05 4.71 -1.26 -4.92 120.64 117.38 1qxr n GLU 114 Ca 0.05 -0.67 0.00 0.00 -0.01 0.00 0.00 57.16 56.53 1qxr n GLU 114 Cb 0.46 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 29.43 1qxr n GLU 114 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qxr n GLY 115 N 1.09 0.71 3.73 0.62 0.00 -0.33 -5.05 105.19 105.97 1qxr n GLY 115 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1qxr n GLY 115 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qxr s ASP 116 N -2.72 6.84 0.24 1.61 2.15 -1.26 -4.64 116.67 118.88 1qxr s ASP 116 Ca 0.00 2.38 0.10 0.00 0.43 0.00 0.00 52.55 55.46 1qxr s ASP 116 Cb 0.00 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.98 1qxr s ASP 116 CO 0.00 -0.61 -0.07 0.00 -0.17 0.00 0.00 175.17 174.33 1qxr s ALA 117 N 0.63 3.02 -0.10 3.66 0.00 -1.26 -0.93 121.76 126.78 1qxr s ALA 117 Ca 0.61 -1.62 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 1qxr s ALA 117 Cb -0.37 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.09 1qxr s ALA 117 CO 0.34 0.34 0.28 0.21 0.00 0.00 0.00 175.76 176.94 1qxr s LYS 118 N -3.35 0.36 -0.11 0.00 2.47 -0.04 -4.98 119.74 114.09 1qxr s LYS 118 Ca 0.29 0.33 0.02 0.00 -1.56 0.00 0.00 55.97 55.04 1qxr s LYS 118 Cb -0.07 0.17 -0.01 0.00 -1.46 0.00 0.00 37.83 36.46 1qxr s LYS 118 CO 0.17 -0.05 -0.17 -0.46 0.16 0.00 0.00 175.35 175.00 1qxr s TRP 119 N -0.01 2.70 -0.17 4.03 -0.11 -1.26 -0.79 118.94 123.33 1qxr s TRP 119 Ca -0.01 -0.76 0.00 0.00 1.22 0.00 0.00 56.10 56.54 1qxr s TRP 119 Cb -0.02 -1.78 0.04 0.00 -1.50 0.00 0.00 33.47 30.21 1qxr s TRP 119 CO 0.01 -0.26 -0.09 0.42 -4.62 0.00 0.00 176.95 172.40 1qxr s ILE 120 N 0.27 1.40 0.51 5.86 1.01 -0.48 -5.00 121.20 124.78 1qxr s ILE 120 Ca -0.12 -0.77 -0.21 0.00 0.00 0.00 0.00 60.65 59.55 1qxr s ILE 120 Cb -0.16 -1.48 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 1qxr s ILE 120 CO 0.07 0.22 1.18 -0.44 0.00 0.00 0.00 174.94 175.97 1qxr s SER 121 N 1.51 5.83 -0.08 3.58 0.01 -1.26 -0.99 113.70 122.30 1qxr s SER 121 Ca 0.01 2.34 -0.01 0.00 1.31 0.00 0.00 55.95 59.60 1qxr s SER 121 Cb -0.15 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.50 1qxr s SER 121 CO -0.08 -1.16 -0.03 -0.04 0.41 0.00 0.00 173.24 172.34 1qxr s MET 122 N -2.95 0.99 0.29 12.44 -1.94 -0.46 -4.86 119.30 122.80 1qxr s MET 122 Ca 0.69 -0.06 0.05 0.00 -1.71 0.00 0.00 55.69 54.66 1qxr s MET 122 Cb -0.29 -1.19 -0.06 0.00 2.01 0.00 0.00 34.83 35.30 1qxr s MET 122 CO 0.34 -0.26 -0.01 -1.83 -0.01 0.00 0.00 175.02 173.25 1qxr s GLU 123 N 1.74 1.54 0.04 2.03 -1.05 -1.26 -2.00 118.70 119.74 1qxr s GLU 123 Ca 0.03 -1.81 -0.36 0.00 -0.15 0.00 0.00 54.97 52.68 1qxr s GLU 123 Cb -0.13 -0.95 -0.15 0.00 -0.44 0.00 0.00 34.13 32.46 1qxr s GLU 123 CO -0.06 -0.07 1.57 -2.30 0.95 0.00 0.00 175.26 175.36 1qxr n PRO 124 N -0.59 1.69 0.00 -4.83 -0.02 -1.26 -1.05 135.00 128.94 1qxr n PRO 124 Ca -0.04 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1qxr n PRO 124 Cb 0.65 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1qxr n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qxr n GLY 125 N 3.38 1.96 3.69 -1.23 0.00 0.18 -4.96 105.19 108.21 1qxr n GLY 125 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1qxr n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qxr s THR 126 N -2.50 3.63 -0.18 2.61 2.01 -0.22 -4.80 115.64 116.19 1qxr s THR 126 Ca 0.00 1.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.97 1qxr s THR 126 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1qxr s THR 126 CO 0.00 0.00 0.06 -0.69 -0.69 0.00 0.00 174.62 173.30 1qxr s VAL 127 N 2.31 4.73 -0.12 3.82 1.01 -1.26 -0.81 120.40 130.08 1qxr s VAL 127 Ca 0.65 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.57 1qxr s VAL 127 Cb -0.32 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1qxr s VAL 127 CO 0.27 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 175.02 1qxr s VAL 128 N 0.42 3.19 -0.36 2.92 1.01 -0.33 -4.94 120.40 122.30 1qxr s VAL 128 Ca 0.03 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 1qxr s VAL 128 Cb -0.13 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 1qxr s VAL 128 CO 0.00 0.53 0.42 -0.47 0.00 0.00 0.00 175.10 175.59 1qxr s TYR 129 N 0.14 3.19 -0.53 5.22 6.14 -1.26 -1.12 117.35 129.13 1qxr s TYR 129 Ca -0.06 0.00 -0.18 0.00 0.64 0.00 0.00 57.07 57.47 1qxr s TYR 129 Cb -0.15 -2.79 0.09 0.00 0.42 0.00 0.00 41.96 39.53 1qxr s TYR 129 CO 0.04 -0.51 0.59 0.08 0.64 0.00 0.00 175.55 176.40 1qxr s VAL 130 N 2.17 4.98 0.88 3.14 1.01 -0.40 -5.00 120.40 127.18 1qxr s VAL 130 Ca 0.14 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1qxr s VAL 130 Cb -0.16 -4.33 0.12 0.00 0.00 0.00 0.00 36.38 32.00 1qxr s VAL 130 CO 0.12 -0.88 1.09 -2.84 0.00 0.00 0.00 175.10 172.60 1qxr s PRO 131 N 2.30 1.41 0.32 2.72 0.02 -1.26 -1.33 135.00 139.18 1qxr s PRO 131 Ca 0.10 0.87 -0.27 0.00 0.02 0.00 0.00 61.00 61.71 1qxr s PRO 131 Cb -0.23 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.33 1qxr s PRO 131 CO 0.08 -2.14 0.99 -2.30 -0.33 0.00 0.00 177.00 173.29 1qxr n PRO 132 N -3.82 1.32 0.00 5.54 -0.02 -1.26 -2.58 135.00 134.18 1qxr n PRO 132 Ca 0.07 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1qxr n PRO 132 Cb 0.55 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1qxr n PRO 132 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qxr n TYR 133 N 0.05 0.00 -3.37 6.00 4.01 0.71 -4.94 117.16 119.62 1qxr n TYR 133 Ca 0.10 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.45 1qxr n TYR 133 Cb 0.34 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.29 1qxr n TYR 133 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1qxr s TRP 134 N -2.16 3.40 0.68 -0.72 0.52 -1.06 -4.06 118.94 115.54 1qxr s TRP 134 Ca 0.00 0.67 -0.13 0.00 0.02 0.00 0.00 56.10 56.66 1qxr s TRP 134 Cb 0.00 -2.53 0.01 0.00 -1.15 0.00 0.00 33.47 29.80 1qxr s TRP 134 CO 0.00 0.02 1.09 0.00 0.02 0.00 0.00 176.95 178.08 1qxr s ALA 135 N 1.19 2.49 -0.12 0.98 0.00 0.18 -4.81 121.76 121.66 1qxr s ALA 135 Ca 0.20 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 1qxr s ALA 135 Cb -0.15 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1qxr s ALA 135 CO 0.08 -1.32 0.33 -3.38 0.00 0.00 0.00 175.76 171.47 1qxr s HIS 136 N -2.63 -0.37 -0.00 0.00 -3.43 -0.80 -1.82 115.29 106.25 1qxr s HIS 136 Ca 0.63 0.89 0.00 0.00 -0.80 0.00 0.00 55.06 55.78 1qxr s HIS 136 Cb -0.18 0.13 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 1qxr s HIS 136 CO 0.47 -0.18 -0.00 0.50 -2.00 0.00 0.00 174.74 173.52 1qxr s ARG 137 N 0.26 0.07 0.10 -0.38 3.52 0.26 -2.76 118.95 120.02 1qxr s ARG 137 Ca -0.01 -0.01 0.02 0.00 -0.13 0.00 0.00 55.73 55.60 1qxr s ARG 137 Cb -0.03 -0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.23 1qxr s ARG 137 CO -0.00 -0.00 0.18 0.95 -0.81 0.00 0.00 175.30 175.61 1qxr s THR 138 N 0.11 5.05 -0.01 4.11 -4.23 -1.26 -0.28 115.64 119.13 1qxr s THR 138 Ca -0.01 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1qxr s THR 138 Cb -0.02 -3.50 0.01 0.00 1.34 0.00 0.00 72.50 70.33 1qxr s THR 138 CO -0.00 0.06 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.42 1qxr s VAL 139 N -1.55 0.27 -0.36 2.29 1.01 0.64 -1.81 120.40 120.89 1qxr s VAL 139 Ca 0.33 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 1qxr s VAL 139 Cb -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1qxr s VAL 139 CO 0.26 0.10 0.36 0.21 0.00 0.00 0.00 175.10 176.03 1qxr s ASN 140 N 0.25 6.17 0.00 3.32 3.84 -0.81 -1.22 114.94 126.48 1qxr s ASN 140 Ca -0.02 -0.34 0.16 0.00 0.21 0.00 0.00 52.86 52.86 1qxr s ASN 140 Cb -0.05 -2.19 0.46 0.00 -0.55 0.00 0.00 41.25 38.91 1qxr s ASN 140 CO -0.01 -0.37 1.38 2.30 -2.79 0.00 0.00 177.10 177.62 1qxr n ILE 141 N 5.25 0.98 -3.39 -5.21 -5.35 -0.72 -4.39 119.36 106.54 1qxr n ILE 141 Ca -0.09 -0.99 0.00 0.00 -0.27 0.00 0.00 62.75 61.40 1qxr n ILE 141 Cb 0.49 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 1qxr n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qxr n GLY 142 N 1.04 4.75 0.74 3.28 0.00 -1.16 -4.97 105.19 108.87 1qxr n GLY 142 Ca 0.17 -2.13 0.08 0.00 0.00 0.00 0.00 46.02 44.14 1qxr n GLY 142 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qxr n ASP 143 N -0.91 2.76 -4.50 1.61 5.75 -1.26 -4.55 116.55 115.46 1qxr n ASP 143 Ca 0.00 -1.81 -0.24 0.00 -0.01 0.00 0.00 54.79 52.72 1qxr n ASP 143 Cb 0.00 -0.15 -0.10 0.00 -1.03 0.00 0.00 41.12 39.83 1qxr n ASP 143 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1qxr s GLU 144 N -1.15 1.72 0.31 0.11 2.02 -1.26 -4.80 118.70 115.65 1qxr s GLU 144 Ca 0.25 -1.88 -0.29 0.00 0.02 0.00 0.00 54.97 53.07 1qxr s GLU 144 Cb 0.15 -1.50 -0.13 0.00 0.10 0.00 0.00 34.13 32.74 1qxr s GLU 144 CO 0.20 0.10 1.27 -2.30 0.02 0.00 0.00 175.26 174.56 1qxr n PRO 145 N -0.72 1.97 -3.74 0.39 -0.02 -1.26 -4.32 135.00 127.30 1qxr n PRO 145 Ca -0.05 0.69 -0.37 0.00 -2.02 0.00 0.00 63.50 61.76 1qxr n PRO 145 Cb 0.63 -2.26 -0.11 0.00 -0.02 0.00 0.00 33.50 31.74 1qxr n PRO 145 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1qxr s PHE 146 N -0.82 3.18 -0.07 6.00 5.36 -0.06 -3.96 117.98 127.61 1qxr s PHE 146 Ca 0.59 -0.08 0.04 0.00 -0.96 0.00 0.00 56.93 56.52 1qxr s PHE 146 Cb -0.61 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.81 1qxr s PHE 146 CO 0.59 -0.15 -0.18 0.42 -1.46 0.00 0.00 175.22 174.43 1qxr s ILE 147 N 1.36 1.57 0.12 3.12 1.01 0.10 0.09 121.20 128.58 1qxr s ILE 147 Ca 0.06 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 1qxr s ILE 147 Cb -0.15 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 40.96 1qxr s ILE 147 CO 0.05 0.45 0.30 0.72 0.00 0.00 0.00 174.94 176.46 1qxr s PHE 148 N 0.27 0.08 -0.11 3.97 -0.71 -0.95 -0.97 117.98 119.57 1qxr s PHE 148 Ca -0.11 -0.46 0.01 0.00 -1.04 0.00 0.00 56.93 55.33 1qxr s PHE 148 Cb -0.15 0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.72 1qxr s PHE 148 CO 0.05 -0.66 -0.13 -1.17 -1.34 0.00 0.00 175.22 171.96 1qxr s LEU 149 N -2.87 2.72 -0.02 -1.99 2.96 0.54 -1.64 118.68 118.37 1qxr s LEU 149 Ca 0.07 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 1qxr s LEU 149 Cb 0.03 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 1qxr s LEU 149 CO -0.08 0.21 -0.25 0.00 -1.32 0.00 0.00 176.35 174.91 1qxr s ALA 150 N 0.08 2.08 -0.13 5.97 0.00 0.19 0.05 121.76 130.00 1qxr s ALA 150 Ca -0.05 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1qxr s ALA 150 Cb -0.15 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1qxr s ALA 150 CO 0.04 0.50 -0.22 0.42 0.00 0.00 0.00 175.76 176.51 1qxr s ILE 151 N -0.56 1.99 0.03 0.00 1.09 -0.28 -0.53 121.20 122.94 1qxr s ILE 151 Ca 0.09 -0.95 -0.08 0.00 -1.10 0.00 0.00 60.65 58.61 1qxr s ILE 151 Cb -0.10 -1.76 -0.00 0.00 -1.06 0.00 0.00 42.46 39.54 1qxr s ILE 151 CO -0.01 0.54 0.16 -0.72 -0.10 0.00 0.00 174.94 174.81 1qxr s TYR 152 N 0.72 0.08 0.31 3.97 1.13 -0.64 -1.51 117.35 121.41 1qxr s TYR 152 Ca -0.10 -0.28 -0.30 0.00 -1.41 0.00 0.00 57.07 54.99 1qxr s TYR 152 Cb -0.16 -0.06 -0.12 0.00 -1.10 0.00 0.00 41.96 40.52 1qxr s TYR 152 CO 0.01 -0.37 1.56 -2.30 -2.51 0.00 0.00 175.55 171.94 1qxr n PRO 153 N 0.93 2.67 0.18 -3.49 -0.02 -1.26 -0.87 135.00 133.14 1qxr n PRO 153 Ca -0.20 0.94 0.16 0.00 -2.02 0.00 0.00 63.50 62.38 1qxr n PRO 153 Cb 0.58 -2.71 0.77 0.00 -0.02 0.00 0.00 33.50 32.12 1qxr n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qxr h ALA 154 N 4.36 1.96 -0.47 3.55 0.00 -1.32 -1.67 119.26 125.67 1qxr h ALA 154 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1qxr h ALA 154 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1qxr h ALA 154 CO 0.76 -0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.32 1qxr n ASP 155 N -4.07 3.54 -0.04 0.00 5.75 -1.26 -4.32 116.55 116.15 1qxr n ASP 155 Ca 0.02 -1.99 -0.01 0.00 -0.01 0.00 0.00 54.79 52.80 1qxr n ASP 155 Cb 0.32 -0.31 0.26 0.00 -1.03 0.00 0.00 41.12 40.36 1qxr n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qxr h ALA 156 N 4.47 1.31 -2.33 2.12 0.00 -1.64 -3.40 119.26 119.80 1qxr h ALA 156 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1qxr h ALA 156 Cb 0.97 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1qxr h ALA 156 CO 0.00 0.47 -0.15 0.41 0.00 0.00 0.00 179.25 179.98 1qxr n GLY 157 N -0.87 -1.18 3.00 0.00 0.00 -1.26 -0.39 105.19 104.49 1qxr n GLY 157 Ca 0.02 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 1qxr n GLY 157 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qxr s HIS 158 N -0.63 0.63 -0.35 1.61 3.76 -1.26 -3.40 115.29 115.64 1qxr s HIS 158 Ca 0.00 -0.18 0.03 0.00 -0.15 0.00 0.00 55.06 54.77 1qxr s HIS 158 Cb 0.00 -0.40 0.10 0.00 1.11 0.00 0.00 32.58 33.40 1qxr s HIS 158 CO 0.00 -0.02 0.08 0.34 -0.85 0.00 0.00 174.74 174.29 1qxr s ASP 159 N -0.40 4.59 -0.09 1.40 2.15 0.48 -4.44 116.67 120.36 1qxr s ASP 159 Ca 0.01 -2.15 0.04 0.00 0.43 0.00 0.00 52.55 50.87 1qxr s ASP 159 Cb -0.04 -1.50 -0.24 0.00 -0.30 0.00 0.00 42.92 40.84 1qxr s ASP 159 CO -0.00 -0.37 0.47 -1.22 -0.17 0.00 0.00 175.17 173.88 1qxr n TYR 160 N 4.24 1.02 -0.25 -5.34 4.02 -1.26 -1.82 117.16 117.77 1qxr n TYR 160 Ca 0.03 0.29 0.03 0.00 -0.01 0.00 0.00 57.90 58.24 1qxr n TYR 160 Cb 0.41 -1.16 0.12 0.00 -0.02 0.00 0.00 39.34 38.69 1qxr n TYR 160 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1qxr h GLY 161 N 2.43 0.68 0.54 2.72 0.00 -1.92 0.17 103.07 107.70 1qxr h GLY 161 Ca -0.37 0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.21 1qxr h GLY 161 CO 0.07 -0.29 0.25 -0.84 0.00 0.00 0.00 176.54 175.74 1qxr h THR 162 N 0.05 0.86 0.01 4.70 2.02 -1.98 -1.52 112.91 117.04 1qxr h THR 162 Ca 0.38 -0.16 -0.22 0.00 0.77 0.00 0.00 66.41 67.18 1qxr h THR 162 Cb 0.63 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1qxr h THR 162 CO -0.71 0.08 -0.95 0.40 0.37 0.00 0.00 175.52 174.72 1qxr h ILE 163 N 0.47 1.44 -0.43 3.11 1.08 -1.55 -3.03 117.51 118.60 1qxr h ILE 163 Ca 0.27 -2.57 -0.00 0.00 -0.39 0.00 0.00 64.86 62.17 1qxr h ILE 163 Cb 0.27 2.48 -0.02 0.00 -3.07 0.00 0.00 36.82 36.48 1qxr h ILE 163 CO -0.24 0.76 0.25 0.00 -0.69 0.00 0.00 178.15 178.23 1qxr h ALA 164 N 0.81 1.63 0.00 1.87 0.00 0.04 0.26 119.26 123.87 1qxr h ALA 164 Ca -0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1qxr h ALA 164 Cb 1.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1qxr h ALA 164 CO 0.16 0.32 -0.40 0.93 0.00 0.00 0.00 179.25 180.25 1qxr h GLU 165 N 0.59 0.00 0.00 0.00 5.08 -1.34 -3.42 114.58 115.49 1qxr h GLU 165 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1qxr h GLU 165 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1qxr h GLU 165 CO -0.03 0.75 -0.87 0.36 -1.00 0.00 0.00 179.01 178.22 1qxr n LYS 166 N -4.59 1.71 0.00 2.33 2.85 -1.15 -5.10 118.16 114.21 1qxr n LYS 166 Ca -0.14 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1qxr n LYS 166 Cb 0.44 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.57 1qxr n LYS 166 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qxr n GLY 167 N 1.40 -0.52 3.87 2.58 0.00 0.91 -4.60 105.19 108.83 1qxr n GLY 167 Ca 0.02 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 1qxr n GLY 167 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qxr s PHE 168 N 0.00 3.33 -0.74 1.61 0.40 -1.26 -4.76 117.98 116.56 1qxr s PHE 168 Ca 0.00 0.07 0.21 0.00 -0.60 0.00 0.00 56.93 56.60 1qxr s PHE 168 Cb 0.00 -1.60 0.84 0.00 0.51 0.00 0.00 43.02 42.77 1qxr s PHE 168 CO 0.00 0.52 1.63 -1.13 0.70 0.00 0.00 175.22 176.95 1qxr n SER 169 N -0.36 0.37 -4.37 1.36 3.41 -1.26 -4.63 113.62 108.14 1qxr n SER 169 Ca -0.08 0.58 -0.21 0.00 -0.26 0.00 0.00 58.87 58.91 1qxr n SER 169 Cb 0.54 -0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 63.72 1qxr n SER 169 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1qxr s LYS 170 N -3.15 1.38 0.22 4.33 -0.14 -1.26 -0.61 119.74 120.50 1qxr s LYS 170 Ca 0.06 -1.55 0.08 0.00 -1.36 0.00 0.00 55.97 53.20 1qxr s LYS 170 Cb 0.10 -1.35 -0.05 0.00 -1.68 0.00 0.00 37.83 34.85 1qxr s LYS 170 CO 0.37 0.25 -0.13 0.96 -0.76 0.00 0.00 175.35 176.04 1qxr s ILE 171 N -2.48 1.76 -0.22 2.17 -4.36 0.19 -4.63 121.20 113.63 1qxr s ILE 171 Ca 0.21 -2.21 0.01 0.00 -0.26 0.00 0.00 60.65 58.41 1qxr s ILE 171 Cb -0.04 -2.11 0.04 0.00 1.25 0.00 0.00 42.46 41.60 1qxr s ILE 171 CO 0.08 -0.54 -0.14 -0.69 0.24 0.00 0.00 174.94 173.89 1qxr s VAL 172 N -2.96 2.23 0.26 8.37 1.01 -1.26 -1.40 120.40 126.65 1qxr s VAL 172 Ca 0.24 -1.25 0.06 0.00 0.00 0.00 0.00 61.98 61.03 1qxr s VAL 172 Cb -0.00 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 1qxr s VAL 172 CO 0.08 0.25 -0.05 0.27 0.00 0.00 0.00 175.10 175.64 1qxr s ILE 173 N 1.21 1.54 -0.22 2.22 -4.36 -0.26 -2.30 121.20 119.03 1qxr s ILE 173 Ca -0.02 -2.11 -0.09 0.00 -0.26 0.00 0.00 60.65 58.17 1qxr s ILE 173 Cb -0.16 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 1qxr s ILE 173 CO -0.08 -0.33 0.12 -0.70 0.24 0.00 0.00 174.94 174.19 1qxr s GLU 174 N -3.75 4.00 -0.12 0.37 2.12 -0.03 -0.85 118.70 120.44 1qxr s GLU 174 Ca 0.29 -0.32 -0.03 0.00 0.36 0.00 0.00 54.97 55.27 1qxr s GLU 174 Cb 0.04 -3.40 0.04 0.00 0.26 0.00 0.00 34.13 31.07 1qxr s GLU 174 CO 0.11 0.12 0.05 -2.00 -0.54 0.00 0.00 175.26 172.99 1qxr s GLU 175 N 0.86 0.27 -1.09 4.30 2.12 0.72 -4.83 118.70 121.04 1qxr s GLU 175 Ca 0.06 0.02 -0.05 0.00 0.36 0.00 0.00 54.97 55.35 1qxr s GLU 175 Cb -0.13 -1.34 0.01 0.00 0.26 0.00 0.00 34.13 32.92 1qxr s GLU 175 CO 0.03 -0.49 0.94 0.09 -0.54 0.00 0.00 175.26 175.29 1qxr n ASN 176 N 5.21 -4.56 0.00 -1.70 5.03 -1.26 -2.44 115.26 115.54 1qxr n ASN 176 Ca -0.06 -0.47 0.00 0.00 0.87 0.00 0.00 54.58 54.92 1qxr n ASN 176 Cb 0.49 -4.30 0.00 0.00 -1.02 0.00 0.00 39.78 34.95 1qxr n ASN 176 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qxr n GLY 177 N -1.57 0.72 3.43 7.41 0.00 -1.26 -4.99 105.19 108.93 1qxr n GLY 177 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1qxr n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qxr s GLU 178 N -0.27 1.61 0.02 1.61 2.02 -1.02 -5.10 118.70 117.56 1qxr s GLU 178 Ca 0.00 -1.25 -0.29 0.00 0.02 0.00 0.00 54.97 53.45 1qxr s GLU 178 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1qxr s GLU 178 CO 0.00 0.47 0.92 0.08 0.02 0.00 0.00 175.26 176.75 1qxr s VAL 179 N -1.07 4.79 -0.01 2.63 1.01 -1.26 -0.20 120.40 126.29 1qxr s VAL 179 Ca 0.15 1.95 0.02 0.00 0.00 0.00 0.00 61.98 64.10 1qxr s VAL 179 Cb -0.10 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 1qxr s VAL 179 CO 0.07 0.23 -0.07 -0.54 0.00 0.00 0.00 175.10 174.79 1qxr s LYS 180 N 0.65 0.62 -0.23 2.72 1.02 -0.03 -4.93 119.74 119.56 1qxr s LYS 180 Ca 0.48 -0.23 -0.05 0.00 0.02 0.00 0.00 55.97 56.19 1qxr s LYS 180 Cb -0.21 -0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 36.48 1qxr s LYS 180 CO 0.27 0.12 -0.01 0.08 -0.92 0.00 0.00 175.35 174.88 1qxr s VAL 181 N -0.01 3.61 0.20 3.17 1.01 -1.26 -1.10 120.40 126.02 1qxr s VAL 181 Ca 0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1qxr s VAL 181 Cb -0.04 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1qxr s VAL 181 CO -0.00 0.40 0.19 0.68 0.00 0.00 0.00 175.10 176.37 1qxr s VAL 182 N 1.51 0.01 0.36 2.92 -7.23 -0.49 -4.95 120.40 112.53 1qxr s VAL 182 Ca 0.06 -1.87 -0.28 0.00 -1.81 0.00 0.00 61.98 58.08 1qxr s VAL 182 Cb -0.14 -2.38 -0.12 0.00 0.56 0.00 0.00 36.38 34.30 1qxr s VAL 182 CO -0.02 -0.05 1.41 0.47 -0.31 0.00 0.00 175.10 176.60 1qxr n ASP 183 N -0.27 3.36 -4.65 4.85 9.92 -1.26 0.55 116.55 129.04 1qxr n ASP 183 Ca 0.00 1.21 -0.43 0.00 -0.53 0.00 0.00 54.79 55.05 1qxr n ASP 183 Cb 0.65 -1.56 -0.02 0.00 -0.64 0.00 0.00 41.12 39.55 1qxr n ASP 183 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1qxr s ASN 184 N -0.16 6.98 0.50 -2.24 3.84 0.22 -4.50 114.94 119.57 1qxr s ASN 184 Ca 0.55 1.40 0.29 0.00 0.21 0.00 0.00 52.86 55.30 1qxr s ASN 184 Cb -0.52 -2.54 1.01 0.00 -0.55 0.00 0.00 41.25 38.65 1qxr s ASN 184 CO 0.62 -0.78 1.85 -0.65 -2.79 0.00 0.00 177.10 175.35 1qxr h PRO 185 N 7.98 0.00 -0.63 0.43 0.11 -1.92 -3.10 132.00 134.88 1qxr h PRO 185 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1qxr h PRO 185 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1qxr h PRO 185 CO 0.99 0.06 0.00 2.89 -0.21 0.00 0.00 178.00 181.73 1qxr n ARG 186 N -3.15 3.14 0.00 1.05 1.85 -1.26 -5.25 116.66 113.03 1qxr n ARG 186 Ca 0.01 -2.17 0.12 0.00 -1.00 0.00 0.00 57.85 54.82 1qxr n ARG 186 Cb 0.39 -1.77 0.10 0.00 -1.05 0.00 0.00 32.46 30.13 1qxr n ARG 186 CO 0.00 0.00 0.00 1.87 -0.01 0.00 0.00 177.63 179.49