#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qny s GLU -8 N 0.00 4.34 0.14 1.09 2.56 -1.26 -5.03 118.70 120.54 2qny s GLU -8 Ca 0.00 0.59 -0.31 0.00 0.00 0.00 0.00 54.97 55.25 2qny s GLU -8 Cb 0.00 -3.42 -0.10 0.00 2.00 0.00 0.00 34.13 32.62 2qny s GLU -8 CO 0.00 0.19 1.58 0.42 -0.56 0.00 0.00 175.26 176.89 2qny s ILE -7 N 0.47 2.73 0.73 -3.70 1.01 -1.26 -4.97 121.20 116.20 2qny s ILE -7 Ca 0.29 0.47 -0.11 0.00 0.00 0.00 0.00 60.65 61.30 2qny s ILE -7 Cb -0.16 -3.30 0.03 0.00 0.01 0.00 0.00 42.46 39.03 2qny s ILE -7 CO 0.13 0.03 1.07 0.00 0.00 0.00 0.00 174.94 176.18 2qny s ALA -6 N 1.47 2.49 -0.03 9.38 0.00 -1.26 -5.07 121.76 128.73 2qny s ALA -6 Ca 0.71 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.89 2qny s ALA -6 Cb -0.43 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 2qny s ALA -6 CO 0.31 -1.45 -0.17 0.99 0.00 0.00 0.00 175.76 175.45 2qny s THR -5 N -2.96 1.37 0.61 0.00 2.01 -1.26 -5.15 115.64 110.26 2qny s THR -5 Ca 0.60 -0.70 -0.06 0.00 0.31 0.00 0.00 61.69 61.84 2qny s THR -5 Cb -0.16 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.20 2qny s THR -5 CO 0.55 0.39 0.92 0.42 -0.69 0.00 0.00 174.62 176.22 2qny s THR -4 N -0.05 3.52 0.00 -0.82 -4.23 -1.26 -5.11 115.64 107.68 2qny s THR -4 Ca -0.01 0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.49 2qny s THR -4 Cb -0.10 -3.41 -0.01 0.00 1.34 0.00 0.00 72.50 70.32 2qny s THR -4 CO 0.01 -0.43 0.01 -0.94 -0.54 0.00 0.00 174.62 172.73 2qny s SER -3 N -4.33 0.10 0.00 3.99 1.04 -1.22 -4.66 113.70 108.62 2qny s SER -3 Ca 0.55 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2qny s SER -3 Cb -0.11 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2qny s SER -3 CO 0.45 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.10 2qny n GLY -2 N 2.21 7.14 3.75 7.32 0.00 0.13 -4.24 105.19 121.49 2qny n GLY -2 Ca -0.19 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 2qny n GLY -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny s ALA -1 N -2.00 2.67 -0.17 4.61 0.00 -1.22 -4.87 121.76 120.78 2qny s ALA -1 Ca 0.00 1.18 -0.24 0.00 0.00 0.00 0.00 51.96 52.90 2qny s ALA -1 Cb 0.00 -3.51 -0.22 0.00 0.00 0.00 0.00 23.12 19.38 2qny s ALA -1 CO 0.00 -1.28 0.47 -0.09 0.00 0.00 0.00 175.76 174.85 2qny h ARG 1 N 1.19 0.01 -5.26 0.00 2.43 -1.93 -3.37 114.38 107.45 2qny h ARG 1 Ca -0.51 -0.02 -0.61 0.00 -0.81 0.00 0.00 59.98 58.03 2qny h ARG 1 Cb 1.30 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 30.73 2qny h ARG 1 CO 0.56 1.01 -0.34 -1.12 -1.51 0.00 0.00 179.97 178.57 2qny s SER 2 N -6.60 6.28 0.03 -3.80 0.01 -1.26 -4.95 113.70 103.42 2qny s SER 2 Ca -0.24 0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.38 2qny s SER 2 Cb 0.02 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 2qny s SER 2 CO 0.64 -0.02 -0.11 -0.69 0.41 0.00 0.00 173.24 173.48 2qny s VAL 3 N 1.22 0.81 0.34 3.43 1.01 -1.26 -2.18 120.40 123.77 2qny s VAL 3 Ca 0.14 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 2qny s VAL 3 Cb -0.14 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.50 2qny s VAL 3 CO 0.06 -0.10 0.65 -0.83 0.00 0.00 0.00 175.10 174.89 2qny s GLY 4 N -1.10 0.60 -0.56 4.51 0.00 -0.56 -0.44 107.32 109.78 2qny s GLY 4 Ca -0.02 -0.89 -0.23 0.00 0.00 0.00 0.00 44.72 43.58 2qny s GLY 4 CO 0.01 -0.49 0.87 1.08 0.00 0.00 0.00 173.10 174.56 2qny s LEU 5 N -3.08 4.35 0.16 0.66 1.43 -1.26 -2.35 118.68 118.59 2qny s LEU 5 Ca 0.20 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 2qny s LEU 5 Cb -0.03 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.51 2qny s LEU 5 CO 0.13 -1.18 1.44 -0.07 0.23 0.00 0.00 176.35 176.89 2qny h LEU 6 N 10.73 0.75 -7.08 1.79 3.38 -0.95 -3.34 115.31 120.59 2qny h LEU 6 Ca -0.27 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.25 2qny h LEU 6 Cb 1.08 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.49 2qny h LEU 6 CO 1.07 1.18 0.17 -0.94 0.09 0.00 0.00 178.44 180.02 2qny s SER 7 N -6.97 -0.52 0.04 -0.43 1.04 -1.23 -2.71 113.70 102.93 2qny s SER 7 Ca -0.08 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.34 2qny s SER 7 Cb 0.10 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.79 2qny s SER 7 CO 0.87 -0.96 -0.16 0.54 0.98 0.00 0.00 173.24 174.50 2qny s VAL 8 N -3.76 1.29 -0.01 5.02 0.11 -0.19 -1.64 120.40 121.22 2qny s VAL 8 Ca 0.02 -1.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 2qny s VAL 8 Cb -0.01 -1.16 0.01 0.00 -1.53 0.00 0.00 36.38 33.69 2qny s VAL 8 CO -0.12 0.05 -0.01 -0.83 -3.33 0.00 0.00 175.10 170.86 2qny s GLY 9 N -1.20 0.12 -0.04 6.54 0.00 0.10 -4.57 107.32 108.27 2qny s GLY 9 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.80 2qny s GLY 9 CO 0.02 0.13 -0.16 0.00 0.00 0.00 0.00 173.10 173.08 2qny s ALA 10 N 0.26 1.43 -0.17 3.20 0.00 -1.26 -0.45 121.76 124.77 2qny s ALA 10 Ca -0.02 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.29 2qny s ALA 10 Cb -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2qny s ALA 10 CO -0.01 0.27 -0.18 -0.47 0.00 0.00 0.00 175.76 175.37 2qny s TYR 11 N -0.02 2.76 -0.17 0.00 5.04 0.38 -4.86 117.35 120.49 2qny s TYR 11 Ca -0.02 -1.38 0.00 0.00 -2.44 0.00 0.00 57.07 53.23 2qny s TYR 11 Cb -0.10 -1.90 0.01 0.00 0.35 0.00 0.00 41.96 40.32 2qny s TYR 11 CO 0.01 -0.67 -0.17 1.03 -1.34 0.00 0.00 175.55 174.42 2qny s ARG 12 N 1.07 3.13 0.57 4.97 0.52 -1.26 -1.64 118.95 126.31 2qny s ARG 12 Ca -0.01 -0.78 -0.19 0.00 -0.52 0.00 0.00 55.73 54.24 2qny s ARG 12 Cb -0.14 -2.62 -0.07 0.00 0.52 0.00 0.00 34.95 32.63 2qny s ARG 12 CO -0.06 -0.09 0.74 -2.30 0.02 0.00 0.00 175.30 173.61 2qny n PRO 13 N 4.33 0.72 -0.20 3.54 -0.02 -1.26 -4.93 135.00 137.18 2qny n PRO 13 Ca -0.20 0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.47 2qny n PRO 13 Cb 0.51 -1.91 0.02 0.00 -0.02 0.00 0.00 33.50 32.10 2qny n PRO 13 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2qny h GLU 14 N 0.44 1.01 -6.24 -0.52 4.81 -1.99 -3.44 114.58 108.66 2qny h GLU 14 Ca -0.46 -0.33 -0.56 0.00 -0.13 0.00 0.00 59.36 57.88 2qny h GLU 14 Cb 1.38 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 2qny h GLU 14 CO 0.49 1.01 1.04 0.50 -0.73 0.00 0.00 179.01 181.32 2qny s ARG 15 N -5.01 4.08 -0.15 1.92 3.52 -1.25 -4.99 118.95 117.07 2qny s ARG 15 Ca -0.12 1.85 -0.18 0.00 -0.13 0.00 0.00 55.73 57.15 2qny s ARG 15 Cb 0.13 -3.93 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 2qny s ARG 15 CO 0.85 -0.93 0.49 0.08 -0.81 0.00 0.00 175.30 174.98 2qny s VAL 16 N 4.19 5.16 -0.35 7.11 1.01 -1.26 -2.06 120.40 134.20 2qny s VAL 16 Ca 0.66 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 63.58 2qny s VAL 16 Cb -0.27 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.36 2qny s VAL 16 CO 0.25 0.27 0.09 -0.69 0.00 0.00 0.00 175.10 175.02 2qny s VAL 17 N 0.98 3.05 0.76 2.92 1.01 0.52 -4.98 120.40 124.67 2qny s VAL 17 Ca 0.25 -1.74 -0.11 0.00 0.00 0.00 0.00 61.98 60.38 2qny s VAL 17 Cb -0.15 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.34 2qny s VAL 17 CO 0.10 -0.39 1.09 0.42 0.00 0.00 0.00 175.10 176.32 2qny s THR 18 N 1.18 3.39 0.21 3.92 -4.23 -1.26 -1.92 115.64 116.91 2qny s THR 18 Ca 0.02 0.45 -0.10 0.00 -1.18 0.00 0.00 61.69 60.88 2qny s THR 18 Cb -0.21 -3.20 0.14 0.00 1.34 0.00 0.00 72.50 70.56 2qny s THR 18 CO -0.03 -0.59 1.80 0.78 -0.54 0.00 0.00 174.62 176.05 2qny h ASN 19 N -0.96 0.52 -0.77 3.99 2.35 -1.71 -1.38 115.58 117.63 2qny h ASN 19 Ca -0.46 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.27 2qny h ASN 19 Cb 1.25 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 2qny h ASN 19 CO 0.59 0.34 0.26 -0.78 -1.65 0.00 0.00 177.43 176.19 2qny h ASP 20 N 0.66 1.10 -0.28 5.81 3.58 -1.87 -0.58 116.42 124.83 2qny h ASP 20 Ca 0.29 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2qny h ASP 20 Cb 0.19 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2qny h ASP 20 CO -0.19 1.00 0.10 -0.08 -2.88 0.00 0.00 179.24 177.20 2qny h GLU 21 N 1.14 0.43 0.00 0.28 4.81 -1.85 -3.14 114.58 116.25 2qny h GLU 21 Ca 0.25 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2qny h GLU 21 Cb 0.28 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2qny h GLU 21 CO -0.01 0.47 -0.08 0.97 -0.73 0.00 0.00 179.01 179.63 2qny h ILE 22 N 0.30 0.14 -2.90 2.32 2.10 -1.12 -3.41 117.51 114.95 2qny h ILE 22 Ca 0.09 -1.11 -0.60 0.00 1.08 0.00 0.00 64.86 64.32 2qny h ILE 22 Cb 0.21 1.98 -0.40 0.00 -1.09 0.00 0.00 36.82 37.52 2qny h ILE 22 CO -0.01 0.08 -0.76 0.00 -1.08 0.00 0.00 178.15 176.38 2qny s GLN 24 N 0.45 2.40 0.00 0.00 -0.21 -1.25 -4.63 119.66 116.42 2qny s GLN 24 Ca 0.18 -2.09 0.00 0.00 0.02 0.00 0.00 55.36 53.48 2qny s GLN 24 Cb -0.23 -3.77 0.00 0.00 1.00 0.00 0.00 33.01 30.01 2qny s GLN 24 CO -0.00 -1.15 0.00 0.45 -2.12 0.00 0.00 175.29 172.46 2qny n SER 28 N 4.26 0.00 -0.08 5.90 2.88 -1.26 -5.18 113.62 120.14 2qny n SER 28 Ca 0.01 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.54 2qny n SER 28 Cb 0.40 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.11 2qny n SER 28 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2qny h SER 29 N 1.20 0.65 -0.03 -3.46 4.64 -1.94 -1.17 113.55 113.44 2qny h SER 29 Ca 0.00 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.23 2qny h SER 29 Cb 0.00 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 2qny h SER 29 CO 0.00 0.65 -0.05 0.44 -0.87 0.00 0.00 176.83 177.00 2qny h ASP 30 N 0.68 -0.15 -0.25 4.97 3.45 -1.89 -1.57 116.42 121.66 2qny h ASP 30 Ca 0.15 0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.62 2qny h ASP 30 Cb 0.26 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 2qny h ASP 30 CO -0.00 -0.07 0.06 -0.33 -1.57 0.00 0.00 179.24 177.32 2qny h GLU 31 N -0.08 0.40 -0.12 3.56 5.08 -1.91 -2.22 114.58 119.29 2qny h GLU 31 Ca 0.03 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2qny h GLU 31 Cb 0.12 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2qny h GLU 31 CO -0.07 0.51 -0.20 2.35 -1.00 0.00 0.00 179.01 180.60 2qny h TRP 32 N 0.23 -0.51 -0.11 4.33 7.01 -1.11 -0.67 115.95 125.11 2qny h TRP 32 Ca 0.08 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 2qny h TRP 32 Cb 0.29 0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.59 2qny h TRP 32 CO 0.01 -0.27 -0.02 0.82 -2.79 0.00 0.00 178.44 176.18 2qny h ILE 33 N -0.25 1.29 -0.43 2.65 2.04 -1.33 -3.03 117.51 118.44 2qny h ILE 33 Ca 0.10 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.03 2qny h ILE 33 Cb 0.39 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 2qny h ILE 33 CO -0.27 0.27 0.27 0.22 0.00 0.00 0.00 178.15 178.64 2qny h TYR 34 N -0.11 0.51 -0.79 1.37 5.03 -1.26 -1.03 116.97 120.69 2qny h TYR 34 Ca 0.03 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.36 2qny h TYR 34 Cb 0.43 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 38.50 2qny h TYR 34 CO 0.05 0.30 0.52 1.15 -1.32 0.00 0.00 178.16 178.87 2qny h THR 35 N 0.55 1.19 0.00 1.81 2.02 -1.17 0.29 112.91 117.60 2qny h THR 35 Ca 0.17 -0.36 -0.19 0.00 0.77 0.00 0.00 66.41 66.79 2qny h THR 35 Cb -0.02 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.40 2qny h THR 35 CO -0.06 0.19 -0.94 0.03 0.37 0.00 0.00 175.52 175.12 2qny h ARG 36 N 1.06 0.00 0.00 6.66 3.08 -1.36 -3.41 114.38 120.40 2qny h ARG 36 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2qny h ARG 36 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2qny h ARG 36 CO -0.07 0.89 -0.74 0.25 -1.07 0.00 0.00 179.97 179.23 2qny n THR 37 N -3.31 0.00 -0.31 2.04 -2.24 -0.41 -4.68 114.28 105.36 2qny n THR 37 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qny n THR 37 Cb 0.91 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2qny n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qny n GLY 38 N 2.33 0.77 3.74 3.38 0.00 0.10 -1.01 105.19 114.50 2qny n GLY 38 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2qny n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qny s ILE 39 N -2.69 4.81 -0.18 -0.61 1.01 -1.26 -3.92 121.20 118.36 2qny s ILE 39 Ca 0.00 1.61 -0.09 0.00 0.00 0.00 0.00 60.65 62.17 2qny s ILE 39 Cb 0.00 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 2qny s ILE 39 CO 0.00 0.33 -0.23 0.29 0.00 0.00 0.00 174.94 175.33 2qny n LYS 40 N 3.09 0.38 -4.20 2.79 5.02 0.11 -3.56 118.16 121.78 2qny n LYS 40 Ca -0.02 0.17 -0.12 0.00 -2.02 0.00 0.00 58.31 56.32 2qny n LYS 40 Cb 0.51 -1.13 -0.10 0.00 -0.02 0.00 0.00 35.03 34.28 2qny n LYS 40 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qny s THR 41 N -2.33 0.38 0.17 -0.18 -4.23 -0.71 -1.76 115.64 106.98 2qny s THR 41 Ca -0.25 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.23 2qny s THR 41 Cb 0.10 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 2qny s THR 41 CO 0.31 -0.44 0.28 0.00 -0.54 0.00 0.00 174.62 174.23 2qny s ARG 42 N -3.99 1.16 -0.14 3.99 3.03 -0.81 -2.75 118.95 119.45 2qny s ARG 42 Ca 0.25 -1.19 -0.06 0.00 2.03 0.00 0.00 55.73 56.76 2qny s ARG 42 Cb 0.07 0.37 -0.04 0.00 -1.03 0.00 0.00 34.95 34.32 2qny s ARG 42 CO 0.03 -0.42 0.06 1.03 -1.13 0.00 0.00 175.30 174.87 2qny s ARG 43 N -3.97 3.55 -0.13 3.89 1.81 -1.26 -0.35 118.95 122.48 2qny s ARG 43 Ca 0.18 -0.31 -0.02 0.00 -1.72 0.00 0.00 55.73 53.86 2qny s ARG 43 Cb 0.03 -3.08 -0.02 0.00 -0.45 0.00 0.00 34.95 31.43 2qny s ARG 43 CO 0.00 0.53 -0.08 -0.06 -0.68 0.00 0.00 175.30 175.02 2qny s PHE 44 N -0.36 2.93 0.64 -0.53 0.40 -0.87 -1.48 117.98 118.71 2qny s PHE 44 Ca 0.09 -0.35 -0.15 0.00 -0.60 0.00 0.00 56.93 55.93 2qny s PHE 44 Cb -0.12 -1.87 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 2qny s PHE 44 CO 0.02 -0.02 1.08 0.00 0.70 0.00 0.00 175.22 177.00 2qny s ALA 45 N 0.12 2.59 0.81 5.36 0.00 -1.26 -3.90 121.76 125.47 2qny s ALA 45 Ca -0.03 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 2qny s ALA 45 Cb -0.14 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 19.79 2qny s ALA 45 CO 0.03 -1.10 1.10 0.00 0.00 0.00 0.00 175.76 175.79 2qny s ALA 46 N -2.50 2.22 0.43 0.00 0.00 -1.26 -4.95 121.76 115.69 2qny s ALA 46 Ca 0.64 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.46 2qny s ALA 46 Cb -0.18 -3.10 0.92 0.00 0.00 0.00 0.00 23.12 20.76 2qny s ALA 46 CO 0.42 -1.76 2.06 -0.44 0.00 0.00 0.00 175.76 176.03 2qny h ASP 47 N -1.12 0.37 0.14 0.00 3.32 -2.06 -2.22 116.42 114.85 2qny h ASP 47 Ca -0.47 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2qny h ASP 47 Cb 1.27 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2qny h ASP 47 CO 0.59 0.29 -0.04 -0.90 -1.72 0.00 0.00 179.24 177.46 2qny n ASP 48 N -4.47 0.61 -4.91 6.45 5.75 -1.26 -4.86 116.55 113.86 2qny n ASP 48 Ca 0.02 -0.98 -0.28 0.00 -0.01 0.00 0.00 54.79 53.54 2qny n ASP 48 Cb 0.08 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 2qny n ASP 48 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2qny s GLU 49 N -2.18 3.58 0.25 0.11 2.02 -0.84 -5.05 118.70 116.59 2qny s GLU 49 Ca 0.38 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.21 2qny s GLU 49 Cb 0.21 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 2qny s GLU 49 CO 0.40 0.32 0.23 -1.54 0.02 0.00 0.00 175.26 174.69 2qny s SER 50 N -3.11 0.64 0.19 -0.19 1.04 -1.26 -4.85 113.70 106.16 2qny s SER 50 Ca 0.41 -1.47 -0.12 0.00 0.48 0.00 0.00 55.95 55.26 2qny s SER 50 Cb -0.11 0.47 0.22 0.00 0.10 0.00 0.00 66.02 66.70 2qny s SER 50 CO 0.29 -0.96 1.74 0.00 0.98 0.00 0.00 173.24 175.28 2qny h ALA 51 N 2.41 0.65 -0.62 5.32 0.00 -1.91 -2.00 119.26 123.11 2qny h ALA 51 Ca -0.31 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2qny h ALA 51 Cb 1.24 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2qny h ALA 51 CO 0.46 -0.24 0.20 0.00 0.00 0.00 0.00 179.25 179.67 2qny h ALA 52 N 1.38 0.81 -0.39 0.00 0.00 -1.95 -1.31 119.26 117.81 2qny h ALA 52 Ca 0.27 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2qny h ALA 52 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2qny h ALA 52 CO -0.29 0.47 -0.25 0.66 0.00 0.00 0.00 179.25 179.83 2qny h SER 53 N 0.88 0.81 -0.18 0.00 4.64 -1.88 -0.87 113.55 116.96 2qny h SER 53 Ca 0.20 -0.31 -0.18 0.00 -0.47 0.00 0.00 61.79 61.03 2qny h SER 53 Cb 0.27 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2qny h SER 53 CO -0.01 1.03 -0.57 0.24 -0.87 0.00 0.00 176.83 176.65 2qny h MET 54 N 0.68 0.78 -0.72 4.77 0.00 -1.36 -2.71 114.93 116.38 2qny h MET 54 Ca 0.09 -0.51 0.05 0.00 0.00 0.00 0.00 59.70 59.33 2qny h MET 54 Cb 0.78 0.07 -0.05 0.00 0.00 0.00 0.00 31.60 32.39 2qny h MET 54 CO 0.06 1.14 0.43 0.00 0.00 0.00 0.00 176.91 178.54 2qny h ALA 55 N 0.75 0.97 -0.12 6.32 0.00 -1.01 -0.76 119.26 125.41 2qny h ALA 55 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qny h ALA 55 Cb 1.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2qny h ALA 55 CO 0.12 0.16 0.08 1.15 0.00 0.00 0.00 179.25 180.76 2qny h THR 56 N 0.81 1.03 -0.75 0.00 2.02 -1.08 0.13 112.91 115.08 2qny h THR 56 Ca 0.31 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 2qny h THR 56 Cb 0.12 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2qny h THR 56 CO -0.15 0.03 0.36 -0.08 0.37 0.00 0.00 175.52 176.05 2qny h GLU 57 N 0.17 1.08 -0.64 6.66 4.57 -1.24 -0.96 114.58 124.21 2qny h GLU 57 Ca 0.05 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2qny h GLU 57 Cb -0.02 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 2qny h GLU 57 CO -0.01 0.84 0.38 0.00 -1.18 0.00 0.00 179.01 179.05 2qny h ALA 58 N 1.18 0.81 -0.68 2.92 0.00 -0.95 -2.41 119.26 120.14 2qny h ALA 58 Ca 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2qny h ALA 58 Cb 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2qny h ALA 58 CO -0.03 0.29 0.31 0.00 0.00 0.00 0.00 179.25 179.82 2qny h ARG 60 N 0.95 0.58 -0.24 0.00 3.08 -1.00 -0.41 114.38 117.34 2qny h ARG 60 Ca 0.23 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 60.06 2qny h ARG 60 Cb 0.14 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2qny h ARG 60 CO -0.03 0.39 -0.59 0.00 -1.07 0.00 0.00 179.97 178.67 2qny h ARG 61 N 0.60 0.78 -0.55 0.04 3.08 -1.11 -2.55 114.38 114.67 2qny h ARG 61 Ca 0.32 -0.52 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 2qny h ARG 61 Cb 0.28 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2qny h ARG 61 CO -0.23 1.15 0.17 0.00 -1.07 0.00 0.00 179.97 179.98 2qny h ALA 62 N 0.74 0.72 -0.58 0.04 0.00 -0.77 -2.01 119.26 117.40 2qny h ALA 62 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2qny h ALA 62 Cb 1.19 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2qny h ALA 62 CO 0.12 0.39 0.37 -0.07 0.00 0.00 0.00 179.25 180.07 2qny h LEU 63 N 0.77 0.62 -0.43 0.00 3.38 -1.05 -2.14 115.31 116.46 2qny h LEU 63 Ca 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2qny h LEU 63 Cb 0.29 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2qny h LEU 63 CO -0.00 0.44 0.25 -1.28 0.09 0.00 0.00 178.44 177.94 2qny h SER 64 N 0.74 0.53 0.59 -0.43 0.87 -1.28 -0.09 113.55 114.48 2qny h SER 64 Ca 0.22 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2qny h SER 64 Cb -0.04 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2qny h SER 64 CO -0.07 0.45 -0.09 0.78 -0.53 0.00 0.00 176.83 177.37 2qny h ASN 65 N 0.57 0.00 0.35 6.23 2.35 -1.18 -2.48 115.58 121.42 2qny h ASN 65 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2qny h ASN 65 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2qny h ASN 65 CO -0.03 0.09 -0.37 0.00 -1.65 0.00 0.00 177.43 175.47 2qny n ALA 66 N -2.19 3.30 -2.58 -0.83 0.00 -0.82 -4.82 120.51 112.58 2qny n ALA 66 Ca -0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 53.44 52.95 2qny n ALA 66 Cb 0.27 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 18.61 2qny n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qny n GLY 67 N 1.41 0.13 3.35 0.00 0.00 -0.93 -5.01 105.19 104.14 2qny n GLY 67 Ca 0.09 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 2qny n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qny s LEU 68 N -3.26 2.54 0.43 0.99 1.43 -0.09 -5.04 118.68 115.68 2qny s LEU 68 Ca 0.13 -1.05 0.07 0.00 -1.03 0.00 0.00 54.13 52.25 2qny s LEU 68 Cb -0.06 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 2qny s LEU 68 CO 0.16 -0.20 0.20 -0.94 0.23 0.00 0.00 176.35 175.80 2qny s SER 69 N -3.33 4.45 0.52 2.29 1.04 -1.26 -4.08 113.70 113.34 2qny s SER 69 Ca 0.23 -1.12 0.19 0.00 0.48 0.00 0.00 55.95 55.73 2qny s SER 69 Cb 0.00 -0.32 1.31 0.00 0.10 0.00 0.00 66.02 67.10 2qny s SER 69 CO 0.07 -0.63 2.09 0.00 0.98 0.00 0.00 173.24 175.75 2qny h ALA 70 N 1.33 2.19 0.00 5.32 0.00 -1.96 -1.23 119.26 124.92 2qny h ALA 70 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2qny h ALA 70 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2qny h ALA 70 CO 0.68 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2qny n ALA 71 N -2.58 1.38 0.70 0.00 0.00 -1.26 -1.68 120.51 117.08 2qny n ALA 71 Ca 0.02 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.70 2qny n ALA 71 Cb 0.29 -1.32 0.25 0.00 0.00 0.00 0.00 19.45 18.68 2qny n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qny n ASP 72 N -2.14 0.61 -4.77 0.00 8.00 -0.46 -4.90 116.55 112.90 2qny n ASP 72 Ca 0.01 0.13 -0.38 0.00 0.71 0.00 0.00 54.79 55.26 2qny n ASP 72 Cb 0.14 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 2qny n ASP 72 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qny s ILE 73 N -3.11 5.07 -0.42 0.53 -1.09 -0.68 -4.61 121.20 116.90 2qny s ILE 73 Ca 0.08 0.95 0.19 0.00 -2.23 0.00 0.00 60.65 59.64 2qny s ILE 73 Cb 0.15 -3.79 -0.25 0.00 -1.58 0.00 0.00 42.46 36.98 2qny s ILE 73 CO 0.69 0.44 0.59 0.47 -1.23 0.00 0.00 174.94 175.90 2qny n ASP 74 N 2.79 0.75 -3.55 3.58 10.43 -0.08 -4.96 116.55 125.51 2qny n ASP 74 Ca -0.10 -0.44 -0.06 0.00 2.57 0.00 0.00 54.79 56.76 2qny n ASP 74 Cb 0.52 1.46 -0.02 0.00 1.84 0.00 0.00 41.12 44.92 2qny n ASP 74 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2qny s GLY 75 N -3.51 -0.38 -0.03 0.44 0.00 -1.23 -3.57 107.32 99.04 2qny s GLY 75 Ca -0.00 1.31 -0.01 0.00 0.00 0.00 0.00 44.72 46.02 2qny s GLY 75 CO 0.77 0.44 0.05 0.54 0.00 0.00 0.00 173.10 174.90 2qny s VAL 76 N -2.76 -0.08 -0.22 1.40 0.11 -0.69 -1.11 120.40 117.05 2qny s VAL 76 Ca 0.07 0.30 -0.06 0.00 -2.93 0.00 0.00 61.98 59.36 2qny s VAL 76 Cb -0.01 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.70 2qny s VAL 76 CO -0.07 0.12 0.03 -0.63 -3.33 0.00 0.00 175.10 171.22 2qny s ILE 77 N 1.50 4.09 -0.21 7.04 1.01 -0.19 -2.87 121.20 131.57 2qny s ILE 77 Ca -0.04 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 2qny s ILE 77 Cb -0.13 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2qny s ILE 77 CO -0.03 0.40 0.29 -0.69 0.00 0.00 0.00 174.94 174.91 2qny s VAL 78 N 1.22 5.28 -0.16 2.92 1.01 -0.81 -1.51 120.40 128.34 2qny s VAL 78 Ca 0.04 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 2qny s VAL 78 Cb -0.15 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2qny s VAL 78 CO 0.02 0.31 -0.10 0.28 0.00 0.00 0.00 175.10 175.61 2qny s THR 79 N 1.10 3.22 0.12 3.92 -1.32 0.49 -0.34 115.64 122.84 2qny s THR 79 Ca 0.14 -0.58 -0.25 0.00 -1.21 0.00 0.00 61.69 59.79 2qny s THR 79 Cb -0.14 -2.39 0.07 0.00 -1.51 0.00 0.00 72.50 68.53 2qny s THR 79 CO 0.06 0.49 0.72 0.28 -2.21 0.00 0.00 174.62 173.96 2qny s THR 80 N 0.71 0.00 0.00 5.08 -1.32 -1.15 -1.48 115.64 117.48 2qny s THR 80 Ca -0.05 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 2qny s THR 80 Cb -0.15 -1.17 0.00 0.00 -1.51 0.00 0.00 72.50 69.67 2qny s THR 80 CO 0.02 0.00 0.29 0.59 -2.21 0.00 0.00 174.62 173.31 2qny n ASN 81 N -0.35 0.59 -1.20 8.08 3.02 -1.26 -4.47 115.26 119.66 2qny n ASN 81 Ca -0.13 -1.00 0.02 0.00 -0.03 0.00 0.00 54.58 53.44 2qny n ASN 81 Cb 0.63 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.92 2qny n ASN 81 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2qny n THR 82 N -0.00 1.38 -2.98 3.41 -2.24 -1.26 -4.94 114.28 107.65 2qny n THR 82 Ca 0.00 -2.51 -0.43 0.00 -2.27 0.00 0.00 64.05 58.84 2qny n THR 82 Cb 0.11 0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 2qny n THR 82 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2qny s HIS 83 N -2.14 2.98 -0.22 4.78 5.04 -1.26 -4.45 115.29 120.02 2qny s HIS 83 Ca 0.37 0.07 0.02 0.00 -1.54 0.00 0.00 55.06 53.98 2qny s HIS 83 Cb 0.38 -3.66 0.30 0.00 0.04 0.00 0.00 32.58 29.64 2qny s HIS 83 CO -0.09 -1.01 1.40 1.19 -2.34 0.00 0.00 174.74 173.88 2qny n PHE 84 N 6.70 1.36 -4.78 3.88 3.01 -1.26 -4.75 117.46 121.63 2qny n PHE 84 Ca 0.01 -1.08 -0.26 0.00 1.01 0.00 0.00 57.45 57.14 2qny n PHE 84 Cb 0.48 -0.55 -0.16 0.00 -0.01 0.00 0.00 39.48 39.23 2qny n PHE 84 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2qny s LEU 85 N -1.47 1.87 0.40 4.37 1.43 -1.26 -5.01 118.68 119.01 2qny s LEU 85 Ca 0.25 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 2qny s LEU 85 Cb 0.21 -0.94 0.81 0.00 0.03 0.00 0.00 46.19 46.31 2qny s LEU 85 CO 0.05 0.13 2.02 1.56 0.23 0.00 0.00 176.35 180.34 2qny h GLN 86 N 6.39 0.53 -2.07 1.70 1.08 -2.05 -3.45 115.11 117.25 2qny h GLN 86 Ca -0.32 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 56.85 2qny h GLN 86 Cb 1.18 -0.11 -0.18 0.00 -0.05 0.00 0.00 27.48 28.31 2qny h GLN 86 CO 0.48 0.40 0.34 -0.08 -0.95 0.00 0.00 178.83 179.01 2qny s THR 87 N -5.38 0.00 0.79 -0.54 -1.32 -1.26 -4.71 115.64 103.23 2qny s THR 87 Ca -0.08 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.29 2qny s THR 87 Cb 0.17 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.23 2qny s THR 87 CO 0.74 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 172.08 2qny s PRO 88 N -1.85 2.09 0.73 7.08 0.04 -1.26 -5.14 135.00 136.69 2qny s PRO 88 Ca -0.04 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 2qny s PRO 88 Cb -0.00 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.69 2qny s PRO 88 CO 0.01 -1.76 1.09 -1.25 0.04 0.00 0.00 177.00 175.14 2qny s PRO 89 N -4.89 2.49 0.18 0.56 0.04 -1.26 -4.85 135.00 127.26 2qny s PRO 89 Ca 0.62 1.22 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 2qny s PRO 89 Cb -0.18 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.51 2qny s PRO 89 CO 0.56 -1.47 1.55 0.00 0.04 0.00 0.00 177.00 177.68 2qny h ALA 90 N -0.72 0.72 -0.52 8.56 0.00 -1.94 -3.36 119.26 122.00 2qny h ALA 90 Ca -0.45 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 54.15 2qny h ALA 90 Cb 1.23 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 2qny h ALA 90 CO 0.53 0.66 -0.17 0.00 0.00 0.00 0.00 179.25 180.27 2qny h ALA 91 N 0.93 0.27 -0.60 0.00 0.00 -1.91 -0.69 119.26 117.25 2qny h ALA 91 Ca 0.08 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2qny h ALA 91 Cb 0.86 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2qny h ALA 91 CO 0.08 -0.48 0.14 -1.35 0.00 0.00 0.00 179.25 177.64 2qny h PRO 92 N -0.04 0.93 -0.52 0.00 0.11 -1.85 -0.46 132.00 130.16 2qny h PRO 92 Ca 0.25 -0.20 0.02 0.00 0.11 0.00 0.00 66.00 66.18 2qny h PRO 92 Cb 0.42 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 2qny h PRO 92 CO -0.56 0.83 0.32 0.52 -0.21 0.00 0.00 178.00 178.90 2qny h MET 93 N 0.89 0.62 -0.19 1.05 2.86 -1.44 -1.19 114.93 117.54 2qny h MET 93 Ca 0.19 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2qny h MET 93 Cb 0.32 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2qny h MET 93 CO -0.00 0.41 0.09 0.28 1.06 0.00 0.00 176.91 178.75 2qny h VAL 94 N 0.64 1.13 -0.81 -2.22 2.07 -0.91 -1.67 116.25 114.48 2qny h VAL 94 Ca 0.20 -0.39 0.13 0.00 0.82 0.00 0.00 66.70 67.47 2qny h VAL 94 Cb -0.01 1.05 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 2qny h VAL 94 CO -0.08 0.13 0.40 0.00 0.02 0.00 0.00 177.57 178.04 2qny h ALA 95 N 0.95 1.19 -0.14 1.67 0.00 -0.87 -1.75 119.26 120.30 2qny h ALA 95 Ca 0.06 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2qny h ALA 95 Cb 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qny h ALA 95 CO -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.16 2qny h ALA 96 N 1.53 0.19 -0.49 0.00 0.00 -0.90 -0.32 119.26 119.27 2qny h ALA 96 Ca 0.43 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2qny h ALA 96 Cb 0.58 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2qny h ALA 96 CO -0.34 -0.12 0.33 0.77 0.00 0.00 0.00 179.25 179.88 2qny h SER 97 N -0.01 0.47 0.68 0.00 0.02 -0.97 0.09 113.55 113.84 2qny h SER 97 Ca 0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2qny h SER 97 Cb 0.36 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2qny h SER 97 CO 0.01 0.32 0.00 0.18 -1.14 0.00 0.00 176.83 176.20 2qny n LEU 98 N -4.47 0.00 0.00 5.07 4.77 -0.69 -4.88 117.00 116.79 2qny n LEU 98 Ca 0.05 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2qny n LEU 98 Cb 0.15 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2qny n LEU 98 CO 0.35 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2qny n GLY 99 N 0.66 0.62 2.41 -0.72 0.00 0.02 -4.71 105.19 103.48 2qny n GLY 99 Ca 0.06 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 2qny n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny n ALA 100 N -0.14 2.82 0.32 4.61 0.00 -0.15 -4.89 120.51 123.08 2qny n ALA 100 Ca 0.00 -3.75 0.21 0.00 0.00 0.00 0.00 53.44 49.90 2qny n ALA 100 Cb 0.10 -0.87 1.12 0.00 0.00 0.00 0.00 19.45 19.80 2qny n ALA 100 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2qny h LYS 101 N 2.99 0.00 0.00 0.00 2.10 -1.80 -3.05 116.57 116.82 2qny h LYS 101 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2qny h LYS 101 Cb 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 2qny h LYS 101 CO 0.59 0.00 -0.88 0.41 -2.00 0.00 0.00 179.45 177.57 2qny n GLY 102 N -1.02 -1.29 3.78 0.07 0.00 -1.26 -4.70 105.19 100.76 2qny n GLY 102 Ca -0.03 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 2qny n GLY 102 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qny s ILE 103 N -3.19 3.36 0.80 -0.61 -4.36 -1.15 -5.01 121.20 111.04 2qny s ILE 103 Ca 0.04 0.91 -0.13 0.00 -0.26 0.00 0.00 60.65 61.21 2qny s ILE 103 Cb 0.14 -3.40 0.08 0.00 1.25 0.00 0.00 42.46 40.52 2qny s ILE 103 CO 0.77 -0.12 1.18 -1.48 0.24 0.00 0.00 174.94 175.53 2qny s LEU 104 N -3.41 3.14 0.00 0.37 0.05 -1.23 -4.87 118.68 112.73 2qny s LEU 104 Ca 0.68 2.27 0.00 0.00 0.05 0.00 0.00 54.13 57.13 2qny s LEU 104 Cb -0.23 -4.58 0.00 0.00 -2.05 0.00 0.00 46.19 39.33 2qny s LEU 104 CO 0.27 -2.54 0.00 0.61 -0.55 0.00 0.00 176.35 174.14 2qny n GLY 105 N 0.23 1.93 3.54 -3.48 0.00 -1.26 -1.70 105.19 104.46 2qny n GLY 105 Ca 0.13 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 2qny n GLY 105 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qny s PHE 106 N -2.00 0.14 -0.02 1.61 -0.71 -1.14 -4.74 117.98 111.13 2qny s PHE 106 Ca 0.00 -0.51 -0.14 0.00 -1.04 0.00 0.00 56.93 55.25 2qny s PHE 106 Cb 0.00 0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 42.02 2qny s PHE 106 CO 0.00 -0.94 0.37 -0.51 -1.34 0.00 0.00 175.22 172.80 2qny s ASP 107 N -2.95 6.75 -0.14 1.98 1.11 -1.26 -1.93 116.67 120.23 2qny s ASP 107 Ca 0.16 0.89 0.02 0.00 0.18 0.00 0.00 52.55 53.80 2qny s ASP 107 Cb -0.01 -2.22 0.01 0.00 1.07 0.00 0.00 42.92 41.77 2qny s ASP 107 CO 0.03 0.33 -0.21 -0.22 1.18 0.00 0.00 175.17 176.29 2qny s LEU 108 N -1.04 2.05 -0.17 1.23 0.20 0.54 -4.96 118.68 116.53 2qny s LEU 108 Ca 0.22 -0.58 0.01 0.00 0.69 0.00 0.00 54.13 54.47 2qny s LEU 108 Cb -0.16 -1.39 0.01 0.00 -0.43 0.00 0.00 46.19 44.21 2qny s LEU 108 CO 0.12 0.05 -0.17 -0.44 -0.29 0.00 0.00 176.35 175.62 2qny s SER 109 N 0.93 3.43 -0.34 3.68 0.01 -1.26 -2.94 113.70 117.21 2qny s SER 109 Ca -0.05 -0.55 0.14 0.00 1.31 0.00 0.00 55.95 56.81 2qny s SER 109 Cb -0.15 -1.53 0.43 0.00 0.21 0.00 0.00 66.02 64.98 2qny s SER 109 CO -0.04 0.05 1.40 0.00 0.41 0.00 0.00 173.24 175.06 2qny n ALA 110 N 4.30 2.55 -0.85 1.44 0.00 -1.26 -4.97 120.51 121.72 2qny n ALA 110 Ca -0.20 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 51.74 2qny n ALA 110 Cb 0.51 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2qny n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qny n GLY 111 N -1.11 2.97 0.21 0.00 0.00 -1.26 -2.06 105.19 103.95 2qny n GLY 111 Ca -0.09 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.75 2qny n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny n ALA 113 N -2.28 2.22 -0.26 0.00 0.00 -0.87 -3.89 120.51 115.42 2qny n ALA 113 Ca -0.00 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2qny n ALA 113 Cb 0.43 -1.39 0.39 0.00 0.00 0.00 0.00 19.45 18.88 2qny n ALA 113 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qny h GLY 114 N 3.98 1.17 0.81 0.00 0.00 -1.51 -2.28 103.07 105.24 2qny h GLY 114 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2qny h GLY 114 CO 0.00 0.08 0.00 -2.75 0.00 0.00 0.00 176.54 173.87 2qny h PHE 115 N 0.66 0.34 -0.48 5.60 3.57 -1.78 -0.30 116.94 124.55 2qny h PHE 115 Ca 0.45 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.90 2qny h PHE 115 Cb 0.75 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 2qny h PHE 115 CO -0.00 0.52 0.30 0.78 -2.23 0.00 0.00 178.31 177.68 2qny h GLY 116 N 0.07 0.68 1.01 2.40 0.00 -1.76 0.18 103.07 105.64 2qny h GLY 116 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2qny h GLY 116 CO 0.01 0.22 0.44 -0.97 0.00 0.00 0.00 176.54 176.23 2qny h TYR 117 N 0.62 0.86 -0.14 5.60 0.05 -1.35 -0.79 116.97 121.81 2qny h TYR 117 Ca 0.18 0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.83 2qny h TYR 117 Cb -0.03 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 2qny h TYR 117 CO -0.05 0.55 -0.54 0.00 -1.05 0.00 0.00 178.16 177.07 2qny h ALA 118 N 1.24 0.81 -0.21 3.88 0.00 -0.73 0.02 119.26 124.27 2qny h ALA 118 Ca 0.25 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2qny h ALA 118 Cb -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2qny h ALA 118 CO -0.05 0.69 -0.01 1.25 0.00 0.00 0.00 179.25 181.12 2qny h LEU 119 N 0.32 0.38 -0.50 0.00 6.46 -0.50 -1.06 115.31 120.41 2qny h LEU 119 Ca 0.01 -0.32 0.01 0.00 -0.12 0.00 0.00 57.88 57.45 2qny h LEU 119 Cb 1.05 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.85 2qny h LEU 119 CO 0.09 0.61 0.33 1.23 -0.62 0.00 0.00 178.44 180.09 2qny h GLY 120 N 0.14 0.70 1.04 3.75 0.00 -0.99 -1.17 103.07 106.54 2qny h GLY 120 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2qny h GLY 120 CO 0.01 0.25 0.27 0.00 0.00 0.00 0.00 176.54 177.08 2qny h ALA 121 N 1.18 0.96 -0.18 3.60 0.00 -0.95 -0.82 119.26 123.05 2qny h ALA 121 Ca 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2qny h ALA 121 Cb -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2qny h ALA 121 CO -0.04 0.61 0.04 0.00 0.00 0.00 0.00 179.25 179.85 2qny h ALA 122 N 1.14 0.24 -0.82 0.00 0.00 -0.99 -0.92 119.26 117.91 2qny h ALA 122 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qny h ALA 122 Cb 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2qny h ALA 122 CO -0.02 -0.11 0.52 0.00 0.00 0.00 0.00 179.25 179.64 2qny h ALA 123 N 0.84 1.04 -0.45 0.00 0.00 -1.11 -1.06 119.26 118.52 2qny h ALA 123 Ca 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2qny h ALA 123 Cb 0.28 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2qny h ALA 123 CO 0.00 0.48 -0.12 -0.44 0.00 0.00 0.00 179.25 179.17 2qny h ASP 124 N 1.11 0.81 -0.30 0.00 3.32 -1.07 -2.08 116.42 118.20 2qny h ASP 124 Ca 0.30 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 2qny h ASP 124 Cb -0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 2qny h ASP 124 CO -0.06 0.94 -0.39 -0.03 -1.72 0.00 0.00 179.24 177.98 2qny h MET 125 N 0.73 0.86 -0.24 3.56 4.05 -0.80 -1.70 114.93 121.39 2qny h MET 125 Ca 0.12 -0.45 -0.07 0.00 -0.28 0.00 0.00 59.70 59.03 2qny h MET 125 Cb 0.61 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 2qny h MET 125 CO 0.04 1.09 -0.11 0.82 0.23 0.00 0.00 176.91 178.98 2qny h ILE 126 N 0.70 1.30 0.00 1.77 2.04 -1.15 -0.44 117.51 121.73 2qny h ILE 126 Ca 0.06 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 2qny h ILE 126 Cb 0.97 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 2qny h ILE 126 CO 0.09 0.37 -0.29 0.03 0.00 0.00 0.00 178.15 178.35 2qny h ARG 127 N 0.21 0.00 0.00 2.37 3.08 -1.39 -2.29 114.38 116.35 2qny h ARG 127 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qny h ARG 127 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2qny h ARG 127 CO 0.03 0.29 0.00 0.41 -1.07 0.00 0.00 179.97 179.63 2qny n GLY 128 N -0.55 -1.45 1.33 0.04 0.00 -0.64 -0.70 105.19 103.22 2qny n GLY 128 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2qny n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qny n GLY 129 N 1.35 0.73 0.09 -0.02 0.00 -0.87 -3.44 105.19 103.04 2qny n GLY 129 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 2qny n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qny n GLY 130 N -2.42 -1.46 3.49 -0.02 0.00 -0.20 -4.83 105.19 99.75 2qny n GLY 130 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2qny n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny s ALA 131 N -3.16 -1.78 -0.17 4.61 0.00 -1.21 -4.97 121.76 115.07 2qny s ALA 131 Ca 0.08 0.92 -0.00 0.00 0.00 0.00 0.00 51.96 52.96 2qny s ALA 131 Cb 0.12 0.50 -0.10 0.00 0.00 0.00 0.00 23.12 23.63 2qny s ALA 131 CO 0.48 -0.70 -0.16 0.00 0.00 0.00 0.00 175.76 175.38 2qny n ALA 132 N -0.25 1.67 -3.21 0.00 0.00 -1.26 -4.17 120.51 113.28 2qny n ALA 132 Ca -0.10 -0.71 -0.14 0.00 0.00 0.00 0.00 53.44 52.48 2qny n ALA 132 Cb 0.62 0.14 -0.15 0.00 0.00 0.00 0.00 19.45 20.06 2qny n ALA 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qny s THR 133 N -2.33 0.10 0.03 0.00 2.01 -1.26 -4.12 115.64 110.07 2qny s THR 133 Ca -0.23 0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.80 2qny s THR 133 Cb 0.06 -0.14 -0.02 0.00 0.01 0.00 0.00 72.50 72.41 2qny s THR 133 CO 0.37 0.07 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.29 2qny s MET 134 N 0.41 0.39 -0.11 4.92 1.00 -0.03 -0.90 119.30 124.98 2qny s MET 134 Ca -0.04 -0.66 -0.12 0.00 0.00 0.00 0.00 55.69 54.87 2qny s MET 134 Cb -0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 34.83 34.68 2qny s MET 134 CO -0.01 -0.01 0.27 -0.51 0.00 0.00 0.00 175.02 174.76 2qny s LEU 135 N -1.50 4.34 -0.16 -0.03 1.43 -0.27 -0.51 118.68 121.98 2qny s LEU 135 Ca -0.14 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2qny s LEU 135 Cb -0.10 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.82 2qny s LEU 135 CO -0.00 0.24 -0.10 -0.69 0.23 0.00 0.00 176.35 176.03 2qny s VAL 136 N -0.31 1.35 -0.13 -1.59 1.01 -0.58 -1.02 120.40 119.13 2qny s VAL 136 Ca 0.17 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2qny s VAL 136 Cb -0.14 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.88 2qny s VAL 136 CO 0.06 0.30 -0.15 0.54 0.00 0.00 0.00 175.10 175.85 2qny s VAL 137 N 1.55 1.55 -0.17 2.92 0.11 -0.57 -0.18 120.40 125.63 2qny s VAL 137 Ca 0.03 -0.65 -0.20 0.00 -2.93 0.00 0.00 61.98 58.23 2qny s VAL 137 Cb -0.14 -1.44 -0.03 0.00 -1.53 0.00 0.00 36.38 33.24 2qny s VAL 137 CO -0.09 0.45 0.57 -0.83 -3.33 0.00 0.00 175.10 171.87 2qny s GLY 138 N 1.25 2.19 0.01 6.54 0.00 -0.50 -0.38 107.32 116.43 2qny s GLY 138 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.46 2qny s GLY 138 CO -0.06 1.10 -0.02 -1.08 0.00 0.00 0.00 173.10 173.04 2qny s THR 139 N 1.43 0.07 -0.21 0.90 -1.32 -0.55 -1.17 115.64 114.79 2qny s THR 139 Ca 0.27 -0.38 -0.10 0.00 -1.21 0.00 0.00 61.69 60.27 2qny s THR 139 Cb -0.16 -0.13 0.08 0.00 -1.51 0.00 0.00 72.50 70.78 2qny s THR 139 CO 0.11 -0.20 0.48 -0.70 -2.21 0.00 0.00 174.62 172.10 2qny s GLU 140 N -0.60 0.44 -0.69 7.08 2.56 -0.49 -4.30 118.70 122.69 2qny s GLU 140 Ca -0.06 0.97 0.01 0.00 0.00 0.00 0.00 54.97 55.89 2qny s GLU 140 Cb -0.04 0.15 0.17 0.00 2.00 0.00 0.00 34.13 36.41 2qny s GLU 140 CO -0.00 -0.18 0.50 0.21 -0.56 0.00 0.00 175.26 175.22 2qny s LYS 141 N 1.85 2.58 0.17 4.30 2.20 -1.26 -1.63 119.74 127.95 2qny s LYS 141 Ca -0.07 -2.99 0.16 0.00 -0.36 0.00 0.00 55.97 52.70 2qny s LYS 141 Cb -0.09 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2qny s LYS 141 CO -0.14 -1.22 1.15 -0.07 -0.36 0.00 0.00 175.35 174.71 2qny h LEU 142 N 6.17 0.00 -0.98 5.43 3.38 -1.94 -3.39 115.31 123.98 2qny h LEU 142 Ca 0.06 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.23 2qny h LEU 142 Cb 0.84 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.48 2qny h LEU 142 CO 0.74 0.55 0.57 0.77 0.09 0.00 0.00 178.44 181.16 2qny h SER 143 N 0.00 0.69 0.69 -0.43 4.64 -1.88 0.69 113.55 117.96 2qny h SER 143 Ca -0.08 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2qny h SER 143 Cb 1.48 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2qny h SER 143 CO 0.06 0.21 0.00 -2.65 -0.87 0.00 0.00 176.83 173.58 2qny n PRO 144 N -4.83 0.15 0.00 4.77 -0.02 -1.26 -2.66 135.00 131.14 2qny n PRO 144 Ca 0.23 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 2qny n PRO 144 Cb 0.60 -1.78 0.35 0.00 -0.02 0.00 0.00 33.50 32.65 2qny n PRO 144 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2qny n THR 145 N -2.07 0.00 -3.00 3.45 -2.24 0.23 -4.91 114.28 105.74 2qny n THR 145 Ca 0.03 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.16 2qny n THR 145 Cb 0.22 0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 2qny n THR 145 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qny s ILE 146 N -2.24 4.98 -0.62 2.28 1.01 -1.09 -1.17 121.20 124.34 2qny s ILE 146 Ca 0.29 1.45 -0.27 0.00 0.00 0.00 0.00 60.65 62.13 2qny s ILE 146 Cb 0.20 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.65 2qny s ILE 146 CO 0.43 0.13 1.15 -0.62 0.00 0.00 0.00 174.94 176.02 2qny s ASP 147 N 1.05 6.34 0.00 3.58 3.68 -1.26 -4.90 116.67 125.15 2qny s ASP 147 Ca 0.35 -0.20 0.06 0.00 2.13 0.00 0.00 52.55 54.89 2qny s ASP 147 Cb -0.17 -2.52 0.24 0.00 -1.45 0.00 0.00 42.92 39.02 2qny s ASP 147 CO 0.14 -1.52 1.18 0.23 0.13 0.00 0.00 175.17 175.33 2qny n MET 148 N 8.43 0.00 0.00 4.34 2.81 -1.26 -0.50 117.12 130.94 2qny n MET 148 Ca 0.05 0.40 0.12 0.00 -1.81 0.00 0.00 57.70 56.46 2qny n MET 148 Cb 0.48 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 31.67 2qny n MET 148 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2qny n TYR 149 N -1.50 0.00 -2.69 2.03 4.02 -1.26 -4.80 117.16 112.96 2qny n TYR 149 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 2qny n TYR 149 Cb 0.06 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 2qny n TYR 149 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2qny s ASP 150 N -2.54 6.34 0.00 7.72 3.68 0.35 -4.85 116.67 127.37 2qny s ASP 150 Ca 0.20 -1.14 0.20 0.00 2.13 0.00 0.00 52.55 53.94 2qny s ASP 150 Cb 0.18 -2.50 1.17 0.00 -1.45 0.00 0.00 42.92 40.32 2qny s ASP 150 CO 0.57 -1.52 1.58 -2.11 0.13 0.00 0.00 175.17 173.82 2qny n ARG 151 N 8.36 0.67 0.07 4.34 1.85 -1.26 -1.42 116.66 129.27 2qny n ARG 151 Ca 0.14 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 57.09 2qny n ARG 151 Cb 0.49 -1.45 -0.05 0.00 -1.05 0.00 0.00 32.46 30.39 2qny n ARG 151 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qny n GLY 152 N 0.33 -1.32 0.00 2.89 0.00 -1.26 -4.74 105.19 101.09 2qny n GLY 152 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2qny n GLY 152 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qny n ASN 153 N -2.58 0.00 0.16 1.61 0.23 -1.03 -4.93 115.26 108.72 2qny n ASN 153 Ca -0.02 -0.14 0.14 0.00 -0.53 0.00 0.00 54.58 54.02 2qny n ASN 153 Cb 0.59 0.00 0.69 0.00 -2.08 0.00 0.00 39.78 38.98 2qny n ASN 153 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qny n PHE 155 N -4.37 0.07 -0.11 0.00 1.16 -1.26 -4.43 117.46 108.52 2qny n PHE 155 Ca 0.02 -0.03 -0.23 0.00 -1.87 0.00 0.00 57.45 55.34 2qny n PHE 155 Cb 0.30 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.06 2qny n PHE 155 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 2qny n ILE 156 N 0.25 1.53 -2.85 1.97 5.41 0.02 -4.92 119.36 120.76 2qny n ILE 156 Ca 0.18 -0.07 -0.30 0.00 1.00 0.00 0.00 62.75 63.56 2qny n ILE 156 Cb 0.35 -2.03 -0.03 0.00 -0.71 0.00 0.00 39.64 37.22 2qny n ILE 156 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2qny s PHE 157 N -2.38 3.47 0.39 1.39 0.40 -1.25 -0.96 117.98 119.04 2qny s PHE 157 Ca -0.30 1.05 -0.12 0.00 -0.60 0.00 0.00 56.93 56.96 2qny s PHE 157 Cb 0.07 -2.44 0.05 0.00 0.51 0.00 0.00 43.02 41.21 2qny s PHE 157 CO 0.57 -0.11 0.73 0.00 0.70 0.00 0.00 175.22 177.11 2qny n ALA 158 N -1.30 -1.47 -2.50 5.36 0.00 -0.27 -4.78 120.51 115.56 2qny n ALA 158 Ca 0.02 -1.34 -0.27 0.00 0.00 0.00 0.00 53.44 51.85 2qny n ALA 158 Cb 0.54 1.07 -0.11 0.00 0.00 0.00 0.00 19.45 20.95 2qny n ALA 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qny s ASP 159 N -3.09 3.87 0.00 0.00 1.01 -0.55 -3.71 116.67 114.21 2qny s ASP 159 Ca 0.19 -0.69 0.00 0.00 0.71 0.00 0.00 52.55 52.76 2qny s ASP 159 Cb -0.04 -0.51 0.00 0.00 1.01 0.00 0.00 42.92 43.38 2qny s ASP 159 CO 0.14 0.12 0.00 0.61 0.21 0.00 0.00 175.17 176.25 2qny n GLY 160 N 0.27 2.00 3.16 0.21 0.00 -0.65 -4.61 105.19 105.56 2qny n GLY 160 Ca -0.12 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 2qny n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny s ALA 161 N -1.99 -0.53 -0.12 4.61 0.00 -0.65 -1.40 121.76 121.67 2qny s ALA 161 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 2qny s ALA 161 Cb 0.00 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.18 2qny s ALA 161 CO 0.00 -0.21 0.33 0.00 0.00 0.00 0.00 175.76 175.87 2qny s ALA 162 N -1.15 -0.80 0.09 0.00 0.00 -0.31 -0.47 121.76 119.12 2qny s ALA 162 Ca -0.12 0.94 0.09 0.00 0.00 0.00 0.00 51.96 52.87 2qny s ALA 162 Cb -0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 2qny s ALA 162 CO 0.02 -0.16 -0.24 0.00 0.00 0.00 0.00 175.76 175.38 2qny s ALA 163 N 0.25 2.10 0.09 0.00 0.00 0.40 -1.41 121.76 123.20 2qny s ALA 163 Ca -0.01 -1.31 0.10 0.00 0.00 0.00 0.00 51.96 50.74 2qny s ALA 163 Cb -0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2qny s ALA 163 CO -0.00 0.47 -0.24 0.14 0.00 0.00 0.00 175.76 176.12 2qny s VAL 164 N -1.00 2.39 -0.21 0.00 -7.23 0.75 -0.72 120.40 114.37 2qny s VAL 164 Ca 0.11 -1.54 -0.13 0.00 -1.81 0.00 0.00 61.98 58.61 2qny s VAL 164 Cb -0.10 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 2qny s VAL 164 CO 0.04 0.21 0.26 -0.69 -0.31 0.00 0.00 175.10 174.61 2qny s VAL 165 N -0.98 5.30 -0.18 1.32 1.01 -0.65 -1.52 120.40 124.70 2qny s VAL 165 Ca 0.14 0.43 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 2qny s VAL 165 Cb -0.10 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2qny s VAL 165 CO 0.05 0.33 -0.03 -0.69 0.00 0.00 0.00 175.10 174.77 2qny s VAL 166 N 0.97 3.82 0.34 2.92 1.01 0.33 -0.25 120.40 129.55 2qny s VAL 166 Ca 0.13 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 2qny s VAL 166 Cb -0.14 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.58 2qny s VAL 166 CO 0.05 0.46 0.69 -0.83 0.00 0.00 0.00 175.10 175.47 2qny s GLY 167 N 0.73 0.47 0.33 4.51 0.00 -0.99 -0.85 107.32 111.52 2qny s GLY 167 Ca -0.01 -0.79 -0.29 0.00 0.00 0.00 0.00 44.72 43.62 2qny s GLY 167 CO 0.02 -0.41 1.50 1.85 0.00 0.00 0.00 173.10 176.07 2qny s GLU 168 N -2.97 4.15 0.15 2.90 2.12 -1.26 -1.49 118.70 122.30 2qny s GLU 168 Ca 0.18 2.52 0.05 0.00 0.36 0.00 0.00 54.97 58.07 2qny s GLU 168 Cb -0.04 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 2qny s GLU 168 CO 0.12 -0.53 -0.11 0.95 -0.54 0.00 0.00 175.26 175.15 2qny s THR 169 N -0.63 1.25 0.33 -1.70 -4.23 -0.92 -4.83 115.64 104.91 2qny s THR 169 Ca 0.57 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 2qny s THR 169 Cb -0.46 -1.86 0.29 0.00 1.34 0.00 0.00 72.50 71.81 2qny s THR 169 CO 0.55 -0.72 1.94 -0.65 -0.54 0.00 0.00 174.62 175.20 2qny h PRO 170 N 2.78 0.87 -5.56 3.99 0.11 -1.96 -3.42 132.00 128.80 2qny h PRO 170 Ca -0.37 -0.05 -0.44 0.00 0.11 0.00 0.00 66.00 65.25 2qny h PRO 170 Cb 1.19 -0.20 -0.17 0.00 0.11 0.00 0.00 31.00 31.94 2qny h PRO 170 CO 0.63 0.57 -0.75 -0.06 -0.21 0.00 0.00 178.00 178.18 2qny s PHE 171 N -5.79 1.58 0.01 0.65 0.40 -1.26 -4.98 117.98 108.59 2qny s PHE 171 Ca -0.11 -0.56 -0.34 0.00 -0.60 0.00 0.00 56.93 55.33 2qny s PHE 171 Cb 0.20 -0.79 -0.13 0.00 0.51 0.00 0.00 43.02 42.81 2qny s PHE 171 CO 0.79 0.25 1.77 0.94 0.70 0.00 0.00 175.22 179.66 2qny n GLN 172 N 0.15 2.17 0.00 0.44 -0.06 -1.26 -4.47 117.38 114.34 2qny n GLN 172 Ca -0.12 0.79 0.01 0.00 -2.00 0.00 0.00 57.00 55.67 2qny n GLN 172 Cb 0.58 -2.61 -0.00 0.00 -4.06 0.00 0.00 30.24 24.15 2qny n GLN 172 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qny n GLY 173 N 4.02 0.31 2.72 1.69 0.00 0.41 -4.93 105.19 109.41 2qny n GLY 173 Ca 0.20 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2qny n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qny s ILE 174 N -0.88 0.08 0.95 -0.61 1.01 -0.77 -1.49 121.20 119.50 2qny s ILE 174 Ca 0.01 0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.80 2qny s ILE 174 Cb 0.01 -0.29 0.18 0.00 0.01 0.00 0.00 42.46 42.37 2qny s ILE 174 CO 0.05 0.20 1.26 -0.83 0.00 0.00 0.00 174.94 175.62 2qny s GLY 175 N 2.01 1.70 0.40 6.18 0.00 0.11 -4.91 107.32 112.81 2qny s GLY 175 Ca 0.04 -1.00 -0.27 0.00 0.00 0.00 0.00 44.72 43.49 2qny s GLY 175 CO -0.04 -0.30 1.42 -4.14 0.00 0.00 0.00 173.10 170.04 2qny s PRO 176 N -5.72 3.96 0.07 2.90 0.02 -1.26 -4.74 135.00 130.23 2qny s PRO 176 Ca 0.70 2.41 -0.31 0.00 0.02 0.00 0.00 61.00 63.83 2qny s PRO 176 Cb -0.07 -2.83 -0.06 0.00 0.02 0.00 0.00 34.50 31.56 2qny s PRO 176 CO 0.52 -0.59 1.21 0.99 -0.33 0.00 0.00 177.00 178.80 2qny s THR 177 N -1.18 3.97 -0.26 0.99 2.01 -1.26 -4.63 115.64 115.28 2qny s THR 177 Ca 0.56 1.42 -0.05 0.00 0.31 0.00 0.00 61.69 63.93 2qny s THR 177 Cb -0.43 -3.91 -0.00 0.00 0.01 0.00 0.00 72.50 68.17 2qny s THR 177 CO 0.57 0.11 0.02 -0.69 -0.69 0.00 0.00 174.62 173.95 2qny s VAL 178 N 1.02 3.68 0.08 3.82 1.01 0.11 -4.97 120.40 125.16 2qny s VAL 178 Ca 0.59 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 2qny s VAL 178 Cb -0.30 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2qny s VAL 178 CO 0.29 0.25 0.08 0.00 0.00 0.00 0.00 175.10 175.72 2qny s ALA 179 N 1.49 0.28 -0.04 5.51 0.00 -1.26 -0.17 121.76 127.57 2qny s ALA 179 Ca 0.04 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 2qny s ALA 179 Cb -0.16 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.46 2qny s ALA 179 CO -0.00 -0.45 0.51 0.41 0.00 0.00 0.00 175.76 176.23 2qny n GLY 180 N 0.00 0.28 3.36 0.00 0.00 -0.89 -5.00 105.19 102.94 2qny n GLY 180 Ca -0.13 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 2qny n GLY 180 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qny s SER 181 N -2.12 0.05 -0.38 1.61 0.01 -1.26 -1.64 113.70 109.98 2qny s SER 181 Ca 0.12 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2qny s SER 181 Cb -0.00 0.45 0.13 0.00 0.21 0.00 0.00 66.02 66.81 2qny s SER 181 CO -0.01 -0.93 0.20 -0.62 0.41 0.00 0.00 173.24 172.29 2qny s ASP 182 N -3.03 3.37 0.42 2.44 3.68 0.34 -4.96 116.67 118.93 2qny s ASP 182 Ca 0.24 -2.23 0.29 0.00 2.13 0.00 0.00 52.55 52.98 2qny s ASP 182 Cb 0.03 -0.68 1.30 0.00 -1.45 0.00 0.00 42.92 42.12 2qny s ASP 182 CO 0.05 -0.31 1.88 1.23 0.13 0.00 0.00 175.17 178.14 2qny h GLY 183 N 7.11 0.00 2.00 2.66 0.00 -1.76 -2.74 103.07 110.35 2qny h GLY 183 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2qny h GLY 183 CO 0.38 0.00 -0.27 0.83 0.00 0.00 0.00 176.54 177.48 2qny h GLU 184 N 0.00 0.00 -0.86 4.80 5.08 -1.95 -3.01 114.58 118.65 2qny h GLU 184 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 2qny h GLU 184 Cb 0.34 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.32 2qny h GLU 184 CO 0.00 0.27 0.46 1.04 -1.00 0.00 0.00 179.01 179.79 2qny n GLN 185 N -3.42 2.44 0.15 2.33 6.02 -1.03 -4.70 117.38 119.17 2qny n GLN 185 Ca 0.00 -3.24 0.06 0.00 -0.01 0.00 0.00 57.00 53.81 2qny n GLN 185 Cb 0.47 -2.16 0.52 0.00 1.02 0.00 0.00 30.24 30.09 2qny n GLN 185 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qny h ALA 186 N 1.44 1.81 0.00 -1.58 0.00 -1.65 -2.40 119.26 116.88 2qny h ALA 186 Ca 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2qny h ALA 186 Cb 1.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2qny h ALA 186 CO 1.11 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 180.26 2qny n ASP 187 N -4.47 0.00 -0.16 0.00 8.00 -1.26 -3.82 116.55 114.84 2qny n ASP 187 Ca -0.01 0.29 -0.02 0.00 0.71 0.00 0.00 54.79 55.76 2qny n ASP 187 Cb 0.11 -0.41 0.20 0.00 -0.02 0.00 0.00 41.12 41.00 2qny n ASP 187 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qny h ALA 188 N 2.88 1.27 -3.24 2.24 0.00 -1.80 -3.39 119.26 117.22 2qny h ALA 188 Ca 0.00 -0.16 -0.46 0.00 0.00 0.00 0.00 54.91 54.29 2qny h ALA 188 Cb 0.31 -0.25 -0.38 0.00 0.00 0.00 0.00 17.79 17.48 2qny h ALA 188 CO 0.00 0.54 -0.78 0.42 0.00 0.00 0.00 179.25 179.43 2qny s ILE 189 N -5.39 0.53 0.05 0.00 1.01 -1.25 -0.03 121.20 116.11 2qny s ILE 189 Ca -0.10 0.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.33 2qny s ILE 189 Cb 0.16 -0.65 0.06 0.00 0.01 0.00 0.00 42.46 42.04 2qny s ILE 189 CO 0.80 0.29 0.57 0.00 0.00 0.00 0.00 174.94 176.59 2qny s ARG 190 N 1.90 1.09 -0.09 2.79 1.70 -0.72 -4.35 118.95 121.27 2qny s ARG 190 Ca 0.05 -0.17 -0.30 0.00 -0.47 0.00 0.00 55.73 54.84 2qny s ARG 190 Cb -0.12 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.74 2qny s ARG 190 CO -0.06 -0.40 1.04 -1.14 -1.08 0.00 0.00 175.30 173.67 2qny s GLN 191 N -2.41 4.42 0.21 3.89 0.74 -1.26 -0.40 119.66 124.84 2qny s GLN 191 Ca -0.05 1.45 0.11 0.00 0.05 0.00 0.00 55.36 56.91 2qny s GLN 191 Cb -0.01 -3.54 0.03 0.00 1.10 0.00 0.00 33.01 30.60 2qny s GLN 191 CO -0.01 -0.32 1.41 0.38 -0.55 0.00 0.00 175.29 176.20 2qny h ASP 192 N 7.13 0.00 -3.22 6.67 2.03 -1.89 -3.43 116.42 123.71 2qny h ASP 192 Ca -0.32 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.43 2qny h ASP 192 Cb 1.16 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 39.30 2qny h ASP 192 CO 0.85 0.76 -0.81 -0.63 -1.03 0.00 0.00 179.24 178.38 2qny s ILE 193 N -2.99 1.21 0.65 4.15 1.01 -1.26 -5.05 121.20 118.91 2qny s ILE 193 Ca 0.01 -0.43 -0.17 0.00 0.00 0.00 0.00 60.65 60.06 2qny s ILE 193 Cb 0.10 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 2qny s ILE 193 CO 0.78 0.39 1.19 1.51 0.00 0.00 0.00 174.94 178.81 2qny s ASP 194 N 1.40 4.87 0.41 3.58 1.47 -1.26 -4.62 116.67 122.52 2qny s ASP 194 Ca 0.00 2.30 0.08 0.00 1.18 0.00 0.00 52.55 56.12 2qny s ASP 194 Cb -0.13 -2.59 0.89 0.00 -0.34 0.00 0.00 42.92 40.75 2qny s ASP 194 CO -0.06 -1.80 2.04 -0.50 0.68 0.00 0.00 175.17 175.53 2qny h TRP 195 N 0.37 0.51 -0.02 2.11 -0.00 -1.98 -1.70 115.95 115.23 2qny h TRP 195 Ca -0.49 0.01 -0.18 0.00 -0.00 0.00 0.00 58.89 58.23 2qny h TRP 195 Cb 1.29 -0.17 0.01 0.00 -0.00 0.00 0.00 29.16 30.29 2qny h TRP 195 CO 0.48 0.31 -0.70 0.82 -0.00 0.00 0.00 178.44 179.35 2qny h ILE 196 N 0.54 1.38 -0.77 1.49 1.08 -1.98 0.13 117.51 119.39 2qny h ILE 196 Ca 0.18 -2.08 0.02 0.00 -0.39 0.00 0.00 64.86 62.59 2qny h ILE 196 Cb 0.07 2.47 -0.04 0.00 -3.07 0.00 0.00 36.82 36.25 2qny h ILE 196 CO -0.04 0.62 0.50 0.74 -0.69 0.00 0.00 178.15 179.27 2qny h THR 197 N 0.07 1.16 -0.52 -0.27 2.02 -1.90 -2.28 112.91 111.19 2qny h THR 197 Ca -0.08 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.76 2qny h THR 197 Cb 1.38 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 2qny h THR 197 CO 0.14 0.18 0.33 0.15 0.37 0.00 0.00 175.52 176.69 2qny h PHE 198 N 1.00 0.66 0.00 3.16 3.57 -1.27 -2.92 116.94 121.14 2qny h PHE 198 Ca 0.29 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 2qny h PHE 198 Cb -0.06 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.46 2qny h PHE 198 CO -0.03 0.43 -0.04 0.00 -2.23 0.00 0.00 178.31 176.45 2qny h ALA 199 N 1.17 1.52 0.00 2.41 0.00 -0.18 -0.59 119.26 123.59 2qny h ALA 199 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qny h ALA 199 Cb -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qny h ALA 199 CO -0.04 0.05 -0.02 1.96 0.00 0.00 0.00 179.25 181.20 2qny h GLN 200 N 0.00 0.00 -1.22 0.00 1.08 -1.24 -3.38 115.11 110.34 2qny h GLN 200 Ca -0.00 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 56.77 2qny h GLN 200 Cb 0.10 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 27.24 2qny h GLN 200 CO 0.01 0.02 -0.87 -1.71 -0.95 0.00 0.00 178.83 175.33 2qny n ASN 201 N -3.11 -0.99 0.22 1.46 5.15 -0.31 -5.01 115.26 112.67 2qny n ASN 201 Ca 0.03 -2.95 0.15 0.00 -0.60 0.00 0.00 54.58 51.21 2qny n ASN 201 Cb 0.46 0.32 0.63 0.00 -0.53 0.00 0.00 39.78 40.66 2qny n ASN 201 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2qny h PRO 202 N 3.94 0.00 0.00 1.20 0.11 -1.54 -2.59 132.00 133.12 2qny h PRO 202 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2qny h PRO 202 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2qny h PRO 202 CO 0.41 0.00 -0.28 0.43 -0.21 0.00 0.00 178.00 178.35 2qny n SER 202 N -2.72 0.58 -2.68 -2.05 7.64 -1.26 -4.82 113.62 108.32 2qny n SER 202 Ca 0.01 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.18 2qny n SER 202 Cb 0.26 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2qny n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qny n GLY 202 N 1.38 -0.73 3.70 0.23 0.00 -0.98 -4.99 105.19 103.81 2qny n GLY 202 Ca 0.05 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 2qny n GLY 202 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qny n PRO 202 N -0.23 2.13 -3.57 1.61 -0.02 -1.26 -5.02 135.00 128.64 2qny n PRO 202 Ca 0.00 0.75 -0.20 0.00 -2.02 0.00 0.00 63.50 62.02 2qny n PRO 202 Cb 0.00 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.11 2qny n PRO 202 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2qny s ARG 202 N -1.95 3.24 0.37 -0.52 1.70 -1.26 -4.96 118.95 115.58 2qny s ARG 202 Ca 0.56 -0.83 -0.25 0.00 -0.47 0.00 0.00 55.73 54.74 2qny s ARG 202 Cb -0.55 -2.80 -0.09 0.00 -0.57 0.00 0.00 34.95 30.93 2qny s ARG 202 CO 0.62 0.15 1.07 -2.14 -1.08 0.00 0.00 175.30 173.92 2qny s PRO 203 N -4.16 4.25 0.10 3.89 0.02 -1.26 -4.91 135.00 132.93 2qny s PRO 203 Ca 0.42 1.61 -0.01 0.00 0.02 0.00 0.00 61.00 63.03 2qny s PRO 203 Cb -0.09 -2.69 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 2qny s PRO 203 CO 0.31 -0.09 0.04 -0.06 -0.33 0.00 0.00 177.00 176.87 2qny s PHE 204 N -1.52 0.71 0.12 6.54 0.08 -1.26 -4.98 117.98 117.66 2qny s PHE 204 Ca 0.55 -1.14 -0.30 0.00 0.12 0.00 0.00 56.93 56.15 2qny s PHE 204 Cb -0.25 -0.42 -0.07 0.00 -0.57 0.00 0.00 43.02 41.71 2qny s PHE 204 CO 0.32 -0.48 1.24 0.54 -0.10 0.00 0.00 175.22 176.74 2qny s VAL 205 N -3.99 3.70 0.06 -0.44 0.11 -0.32 -2.73 120.40 116.79 2qny s VAL 205 Ca 0.17 1.29 0.09 0.00 -2.93 0.00 0.00 61.98 60.61 2qny s VAL 205 Cb 0.07 -3.83 -0.03 0.00 -1.53 0.00 0.00 36.38 31.07 2qny s VAL 205 CO -0.03 0.14 -0.25 -0.13 -3.33 0.00 0.00 175.10 171.50 2qny s ARG 206 N 0.55 1.62 -0.04 1.54 1.81 0.46 -4.68 118.95 120.21 2qny s ARG 206 Ca 0.58 -1.13 0.00 0.00 -1.72 0.00 0.00 55.73 53.45 2qny s ARG 206 Cb -0.32 -1.86 0.03 0.00 -0.45 0.00 0.00 34.95 32.35 2qny s ARG 206 CO 0.32 0.47 -0.01 -1.17 -0.68 0.00 0.00 175.30 174.24 2qny s LEU 207 N -1.43 1.01 -1.05 2.53 2.96 -1.26 -1.76 118.68 119.68 2qny s LEU 207 Ca 0.11 -0.06 -0.13 0.00 -0.22 0.00 0.00 54.13 53.83 2qny s LEU 207 Cb -0.10 -0.32 0.21 0.00 0.50 0.00 0.00 46.19 46.48 2qny s LEU 207 CO 0.03 -0.12 1.14 -1.61 -1.32 0.00 0.00 176.35 174.47 2qny s GLU 208 N 1.29 3.93 0.08 1.98 0.41 0.96 -4.94 118.70 122.41 2qny s GLU 208 Ca -0.06 -2.59 -0.20 0.00 -0.41 0.00 0.00 54.97 51.71 2qny s GLU 208 Cb -0.13 -4.75 -0.07 0.00 -1.78 0.00 0.00 34.13 27.40 2qny s GLU 208 CO -0.02 -1.51 1.34 0.78 -0.49 0.00 0.00 175.26 175.36 2qny h GLY 209 N 8.52 -1.35 0.15 -1.39 0.00 -1.92 -2.50 103.07 104.58 2qny h GLY 209 Ca 0.20 0.74 0.15 0.00 0.00 0.00 0.00 47.33 48.42 2qny h GLY 209 CO 1.04 -0.36 0.34 -2.55 0.00 0.00 0.00 176.54 175.02 2qny h PRO 210 N -0.28 0.47 -0.70 4.80 0.11 -1.99 0.11 132.00 134.53 2qny h PRO 210 Ca 0.04 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.13 2qny h PRO 210 Cb 0.38 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.35 2qny h PRO 210 CO -0.34 0.31 0.47 0.00 -0.21 0.00 0.00 178.00 178.23 2qny h ALA 211 N 1.56 0.89 -0.38 -0.75 0.00 -1.92 -0.25 119.26 118.41 2qny h ALA 211 Ca 0.43 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 2qny h ALA 211 Cb 0.66 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2qny h ALA 211 CO -0.40 0.31 -0.24 0.28 0.00 0.00 0.00 179.25 179.20 2qny h VAL 212 N 0.95 1.28 0.13 0.00 2.07 -0.83 -1.62 116.25 118.23 2qny h VAL 212 Ca 0.26 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.40 2qny h VAL 212 Cb -0.10 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2qny h VAL 212 CO -0.06 0.46 -0.18 0.15 0.02 0.00 0.00 177.57 177.96 2qny h PHE 213 N 0.62 -0.48 -0.15 1.57 3.57 -0.56 0.68 116.94 122.19 2qny h PHE 213 Ca 0.08 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 2qny h PHE 213 Cb 0.80 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 2qny h PHE 213 CO 0.06 -0.27 -0.00 0.00 -2.23 0.00 0.00 178.31 175.87 2qny h ARG 214 N -0.37 0.05 0.53 1.11 3.08 -1.06 -0.38 114.38 117.34 2qny h ARG 214 Ca 0.02 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2qny h ARG 214 Cb 0.37 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2qny h ARG 214 CO -0.08 0.03 -0.28 2.35 -1.07 0.00 0.00 179.97 180.92 2qny h TRP 215 N 0.05 -0.72 -0.20 3.04 7.01 -1.18 -2.09 115.95 121.86 2qny h TRP 215 Ca 0.07 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.07 2qny h TRP 215 Cb 0.09 0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 2qny h TRP 215 CO -0.15 -0.44 0.11 0.00 -2.79 0.00 0.00 178.44 175.16 2qny h ALA 216 N -0.29 0.24 -0.14 2.65 0.00 -0.80 -0.69 119.26 120.23 2qny h ALA 216 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2qny h ALA 216 Cb 0.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2qny h ALA 216 CO 0.10 -0.31 -0.32 0.00 0.00 0.00 0.00 179.25 178.72 2qny h ALA 217 N 1.09 1.19 0.00 0.00 0.00 -1.09 -2.64 119.26 117.81 2qny h ALA 217 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qny h ALA 217 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2qny h ALA 217 CO -0.04 0.53 -1.60 1.19 0.00 0.00 0.00 179.25 179.33 2qny n PHE 218 N -4.09 0.02 -0.08 0.00 3.72 -0.79 -4.64 117.46 111.61 2qny n PHE 218 Ca -0.01 0.01 -0.09 0.00 -0.05 0.00 0.00 57.45 57.30 2qny n PHE 218 Cb 0.42 -0.33 -0.10 0.00 -0.94 0.00 0.00 39.48 38.53 2qny n PHE 218 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2qny n LYS 219 N -1.99 1.22 0.26 -1.08 4.76 -0.27 -4.68 118.16 116.38 2qny n LYS 219 Ca -0.01 0.04 0.17 0.00 -2.87 0.00 0.00 58.31 55.63 2qny n LYS 219 Cb 0.48 -1.36 0.64 0.00 -1.84 0.00 0.00 35.03 32.94 2qny n LYS 219 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2qny h MET 220 N 0.00 0.00 -0.19 1.97 2.86 -1.63 -2.84 114.93 115.10 2qny h MET 220 Ca -0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2qny h MET 220 Cb 1.78 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.43 2qny h MET 220 CO -0.01 0.00 0.12 0.78 1.06 0.00 0.00 176.91 178.86 2qny h GLY 221 N 2.22 0.26 1.62 8.32 0.00 -1.83 -0.09 103.07 113.56 2qny h GLY 221 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 2qny h GLY 221 CO 0.00 0.10 0.02 -0.55 0.00 0.00 0.00 176.54 176.10 2qny h ASP 222 N 0.25 0.45 -0.07 0.19 3.32 -1.81 -2.00 116.42 116.74 2qny h ASP 222 Ca 0.07 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2qny h ASP 222 Cb -0.02 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2qny h ASP 222 CO -0.01 0.50 0.02 0.58 -1.72 0.00 0.00 179.24 178.60 2qny h VAL 223 N 0.47 1.20 -0.73 -1.35 2.07 -1.45 -1.54 116.25 114.92 2qny h VAL 223 Ca 0.10 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.12 2qny h VAL 223 Cb 0.28 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 2qny h VAL 223 CO 0.01 0.17 0.38 1.23 0.02 0.00 0.00 177.57 179.37 2qny h GLY 224 N -0.10 1.10 1.04 2.17 0.00 -0.76 -1.13 103.07 105.39 2qny h GLY 224 Ca 0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 2qny h GLY 224 CO 0.00 0.08 0.19 3.21 0.00 0.00 0.00 176.54 180.02 2qny h ARG 225 N 0.65 1.08 -0.33 4.80 3.08 -1.26 -1.76 114.38 120.63 2qny h ARG 225 Ca 0.35 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 60.18 2qny h ARG 225 Cb 0.35 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 2qny h ARG 225 CO -0.25 0.95 0.17 0.00 -1.07 0.00 0.00 179.97 179.76 2qny h ARG 226 N 1.01 0.35 -0.84 0.04 3.08 -0.69 0.38 114.38 117.71 2qny h ARG 226 Ca 0.22 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2qny h ARG 226 Cb 0.33 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 2qny h ARG 226 CO -0.00 0.23 0.49 0.00 -1.07 0.00 0.00 179.97 179.62 2qny h ALA 227 N 1.17 1.28 -0.24 0.04 0.00 -1.01 0.84 119.26 121.34 2qny h ALA 227 Ca 0.14 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 2qny h ALA 227 Cb 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2qny h ALA 227 CO -0.09 0.60 -0.60 0.52 0.00 0.00 0.00 179.25 179.69 2qny h MET 228 N 1.17 0.83 -0.39 0.00 2.86 -1.10 -2.13 114.93 116.17 2qny h MET 228 Ca 0.30 -0.57 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 2qny h MET 228 Cb -0.03 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 2qny h MET 228 CO -0.05 1.20 0.21 0.22 1.06 0.00 0.00 176.91 179.54 2qny h ASP 229 N 0.59 0.49 -0.88 1.22 3.58 -0.62 0.11 116.42 120.91 2qny h ASP 229 Ca -0.01 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 2qny h ASP 229 Cb 1.22 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.10 2qny h ASP 229 CO 0.13 0.44 0.54 0.00 -2.88 0.00 0.00 179.24 177.47 2qny h ALA 230 N 1.07 1.28 0.00 -0.78 0.00 -0.83 -2.06 119.26 117.94 2qny h ALA 230 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qny h ALA 230 Cb 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2qny h ALA 230 CO -0.02 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2qny n ALA 231 N -2.40 2.11 -2.07 0.00 0.00 -0.80 -4.67 120.51 112.67 2qny n ALA 231 Ca 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.50 2qny n ALA 231 Cb 0.06 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.05 2qny n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qny n GLY 232 N 0.93 0.19 3.55 0.00 0.00 -0.25 -5.03 105.19 104.58 2qny n GLY 232 Ca 0.05 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 2qny n GLY 232 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qny s VAL 233 N -2.23 3.01 0.21 1.61 -7.23 -0.14 -5.02 120.40 110.60 2qny s VAL 233 Ca 0.00 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 58.26 2qny s VAL 233 Cb 0.00 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 2qny s VAL 233 CO 0.00 -0.20 0.44 -0.13 -0.31 0.00 0.00 175.10 174.91 2qny s ARG 234 N -3.05 3.60 0.37 4.82 0.52 -1.26 -4.21 118.95 119.74 2qny s ARG 234 Ca 0.26 -0.11 0.13 0.00 -0.52 0.00 0.00 55.73 55.49 2qny s ARG 234 Cb -0.08 -2.77 0.96 0.00 0.52 0.00 0.00 34.95 33.58 2qny s ARG 234 CO 0.15 0.36 1.79 -1.35 0.02 0.00 0.00 175.30 176.28 2qny h PRO 235 N 2.21 0.52 0.00 3.54 0.11 -1.90 -0.43 132.00 136.06 2qny h PRO 235 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qny h PRO 235 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2qny h PRO 235 CO 0.69 0.34 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 2qny n ASP 236 N -4.66 0.00 -0.05 -2.05 3.85 -1.26 -2.46 116.55 109.92 2qny n ASP 236 Ca 0.23 -0.34 0.11 0.00 -0.71 0.00 0.00 54.79 54.09 2qny n ASP 236 Cb 0.72 -0.19 0.13 0.00 -1.35 0.00 0.00 41.12 40.43 2qny n ASP 236 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2qny n GLN 237 N -1.19 0.14 -2.42 0.11 6.02 -0.17 -4.75 117.38 115.13 2qny n GLN 237 Ca 0.15 -0.10 -0.43 0.00 -0.01 0.00 0.00 57.00 56.61 2qny n GLN 237 Cb 0.16 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 2qny n GLN 237 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qny s ILE 238 N -2.93 4.24 -0.06 5.09 -1.09 -1.03 -4.78 121.20 120.64 2qny s ILE 238 Ca 0.12 1.53 0.01 0.00 -2.23 0.00 0.00 60.65 60.07 2qny s ILE 238 Cb 0.17 -3.98 -0.25 0.00 -1.58 0.00 0.00 42.46 36.81 2qny s ILE 238 CO 0.73 -0.10 0.58 0.44 -1.23 0.00 0.00 174.94 175.37 2qny h ASP 239 N 8.04 0.27 -3.58 3.58 3.32 -1.34 -3.43 116.42 123.28 2qny h ASP 239 Ca -0.29 -0.54 -0.40 0.00 0.02 0.00 0.00 57.03 55.82 2qny h ASP 239 Cb 1.12 -0.09 -0.33 0.00 0.22 0.00 0.00 39.33 40.26 2qny h ASP 239 CO 0.95 1.47 -0.77 -0.69 -1.72 0.00 0.00 179.24 178.48 2qny s VAL 240 N -2.59 0.58 -0.23 -1.35 1.01 -0.39 -1.02 120.40 116.40 2qny s VAL 240 Ca -0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2qny s VAL 240 Cb 0.07 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.89 2qny s VAL 240 CO 0.81 0.22 -0.05 0.12 0.00 0.00 0.00 175.10 176.19 2qny s PHE 241 N 0.63 3.00 -0.75 5.22 5.99 0.83 -0.88 117.98 132.03 2qny s PHE 241 Ca -0.09 -1.22 0.03 0.00 0.00 0.00 0.00 56.93 55.65 2qny s PHE 241 Cb -0.12 -2.09 0.18 0.00 0.00 0.00 0.00 43.02 40.99 2qny s PHE 241 CO 0.00 -0.64 0.56 0.08 -0.00 0.00 0.00 175.22 175.23 2qny s VAL 242 N 1.41 3.33 0.66 3.12 1.01 0.07 -0.70 120.40 129.31 2qny s VAL 242 Ca 0.03 -4.08 -0.11 0.00 0.00 0.00 0.00 61.98 57.83 2qny s VAL 242 Cb -0.15 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2qny s VAL 242 CO -0.04 -1.02 1.05 -2.16 0.00 0.00 0.00 175.10 172.93 2qny s PRO 243 N -1.33 3.22 0.29 2.72 0.04 -1.26 -2.53 135.00 136.14 2qny s PRO 243 Ca 0.25 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 2qny s PRO 243 Cb -0.07 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.31 2qny s PRO 243 CO -0.14 -0.87 1.38 1.58 0.04 0.00 0.00 177.00 178.99 2qny n HIS 244 N -2.96 2.30 -1.77 0.56 -0.00 0.48 -4.81 115.22 109.03 2qny n HIS 244 Ca 0.07 0.46 -0.41 0.00 -0.00 0.00 0.00 57.72 57.84 2qny n HIS 244 Cb 0.54 -2.46 -0.01 0.00 -0.00 0.00 0.00 29.99 28.06 2qny n HIS 244 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2qny n GLN 245 N 1.41 3.55 -0.08 1.57 1.13 -1.26 -4.57 117.38 119.13 2qny n GLN 245 Ca 0.08 -2.80 -0.15 0.00 -1.94 0.00 0.00 57.00 52.18 2qny n GLN 245 Cb 0.34 -2.96 -0.12 0.00 0.11 0.00 0.00 30.24 27.61 2qny n GLN 245 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2qny h PHE 246 N 5.42 0.00 -1.99 1.08 3.57 -1.92 -3.34 116.94 119.76 2qny h PHE 246 Ca 0.65 0.00 0.01 0.00 3.53 0.00 0.00 57.97 62.16 2qny h PHE 246 Cb 0.47 0.00 -0.21 0.00 2.79 0.00 0.00 35.95 39.00 2qny h PHE 246 CO 1.57 1.07 0.05 1.21 -2.23 0.00 0.00 178.31 179.98 2qny s ASN 247 N -6.36 -0.89 0.25 0.41 3.84 -1.26 -4.78 114.94 106.14 2qny s ASN 247 Ca -0.21 1.48 -0.06 0.00 0.21 0.00 0.00 52.86 54.28 2qny s ASN 247 Cb -0.00 1.40 0.25 0.00 -0.55 0.00 0.00 41.25 42.35 2qny s ASN 247 CO 0.61 -0.24 1.92 0.28 -2.79 0.00 0.00 177.10 176.89 2qny h SER 248 N 6.53 1.13 -0.51 -4.21 0.02 -1.38 -2.57 113.55 112.56 2qny h SER 248 Ca -0.30 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 2qny h SER 248 Cb 1.21 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 2qny h SER 248 CO 0.14 0.81 0.24 0.03 -1.14 0.00 0.00 176.83 176.91 2qny h ARG 249 N 1.33 0.73 0.05 3.45 -0.00 -1.83 0.28 114.38 118.40 2qny h ARG 249 Ca 0.36 -0.11 0.02 0.00 -0.50 0.00 0.00 59.98 59.75 2qny h ARG 249 Cb -0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 29.97 29.66 2qny h ARG 249 CO -0.08 0.61 -0.19 0.82 0.00 0.00 0.00 179.97 181.14 2qny h ILE 250 N 0.68 0.56 -0.35 2.04 2.04 -1.90 -2.47 117.51 118.10 2qny h ILE 250 Ca 0.17 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.97 2qny h ILE 250 Cb 0.12 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2qny h ILE 250 CO -0.02 0.00 -0.04 0.78 0.00 0.00 0.00 178.15 178.87 2qny h ASN 251 N -0.33 0.54 -0.75 1.72 2.35 -1.18 -1.25 115.58 116.68 2qny h ASN 251 Ca 0.04 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2qny h ASN 251 Cb 0.38 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 2qny h ASN 251 CO -0.14 0.64 0.50 -0.33 -1.65 0.00 0.00 177.43 176.44 2qny h GLU 252 N 0.53 0.97 -0.07 0.81 5.08 -0.82 -0.48 114.58 120.60 2qny h GLU 252 Ca 0.11 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 2qny h GLU 252 Cb 0.41 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2qny h GLU 252 CO 0.02 0.64 -0.70 -0.07 -1.00 0.00 0.00 179.01 177.90 2qny h LEU 253 N 1.00 0.37 -0.40 1.33 3.38 -0.83 -2.89 115.31 117.26 2qny h LEU 253 Ca 0.28 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2qny h LEU 253 Cb -0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2qny h LEU 253 CO -0.07 0.95 -0.20 -0.07 0.09 0.00 0.00 178.44 179.15 2qny h LEU 254 N 0.22 0.87 -0.59 1.67 3.38 -0.83 -1.41 115.31 118.62 2qny h LEU 254 Ca -0.02 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.63 2qny h LEU 254 Cb 1.25 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 2qny h LEU 254 CO 0.11 1.09 0.24 0.58 0.09 0.00 0.00 178.44 180.55 2qny h VAL 255 N 0.66 0.81 0.01 1.22 2.07 -1.09 -0.75 116.25 119.18 2qny h VAL 255 Ca 0.09 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2qny h VAL 255 Cb 0.76 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2qny h VAL 255 CO 0.06 0.08 -0.01 0.50 0.02 0.00 0.00 177.57 178.22 2qny h LYS 256 N 0.44 -0.02 -0.45 1.57 1.63 -1.38 -3.11 116.57 115.26 2qny h LYS 256 Ca 0.29 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 60.10 2qny h LYS 256 Cb 0.33 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 2qny h LYS 256 CO -0.27 0.30 0.30 -0.97 -3.45 0.00 0.00 179.45 175.35 2qny h ASN 257 N -0.33 0.49 0.59 4.20 -0.73 -1.00 -2.53 115.58 116.27 2qny h ASN 257 Ca -0.00 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.16 2qny h ASN 257 Cb 0.32 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.79 2qny h ASN 257 CO 0.00 0.35 -0.02 0.18 -0.37 0.00 0.00 177.43 177.58 2qny n LEU 258 N -4.47 0.05 -3.82 0.34 4.77 -0.31 -4.94 117.00 108.62 2qny n LEU 258 Ca 0.04 0.28 -0.25 0.00 -0.03 0.00 0.00 56.01 56.04 2qny n LEU 258 Cb 0.08 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 40.90 2qny n LEU 258 CO 0.35 0.01 -0.04 0.00 -1.33 0.00 0.00 177.39 176.38 2qny n GLN 259 N -1.28 -4.77 -1.75 3.23 6.02 -0.95 -4.84 117.38 113.03 2qny n GLN 259 Ca 0.14 0.57 -0.29 0.00 -0.01 0.00 0.00 57.00 57.40 2qny n GLN 259 Cb 0.25 -5.16 0.09 0.00 1.02 0.00 0.00 30.24 26.44 2qny n GLN 259 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2qny s LEU 260 N -6.92 2.54 0.55 1.08 1.43 -1.25 -4.49 118.68 111.62 2qny s LEU 260 Ca 0.22 1.02 -0.21 0.00 -1.03 0.00 0.00 54.13 54.13 2qny s LEU 260 Cb -0.11 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 2qny s LEU 260 CO 0.83 -1.88 1.23 0.54 0.23 0.00 0.00 176.35 177.30 2qny n ARG 261 N -3.34 1.46 -0.22 1.70 1.74 -1.26 -4.89 116.66 111.84 2qny n ARG 261 Ca 0.07 0.54 0.26 0.00 -0.77 0.00 0.00 57.85 57.95 2qny n ARG 261 Cb 0.59 -2.42 0.64 0.00 -1.02 0.00 0.00 32.46 30.25 2qny n ARG 261 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2qny h PRO 262 N 1.20 0.15 -0.57 5.56 0.11 -1.99 -1.91 132.00 134.55 2qny h PRO 262 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2qny h PRO 262 Cb 1.32 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2qny h PRO 262 CO 0.55 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 2qny n ASP 263 N -4.37 3.59 -4.76 -2.05 5.68 -1.26 -4.97 116.55 108.41 2qny n ASP 263 Ca 0.20 -1.99 -0.41 0.00 -0.50 0.00 0.00 54.79 52.09 2qny n ASP 263 Cb 0.89 -0.38 -0.01 0.00 -1.14 0.00 0.00 41.12 40.48 2qny n ASP 263 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qny s ALA 263 N -1.24 3.69 -0.05 2.12 0.00 -0.72 -4.96 121.76 120.60 2qny s ALA 263 Ca 0.44 1.58 -0.27 0.00 0.00 0.00 0.00 51.96 53.70 2qny s ALA 263 Cb 0.24 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2qny s ALA 263 CO 0.32 -1.01 0.88 0.08 0.00 0.00 0.00 175.76 176.02 2qny s VAL 264 N -0.35 4.92 -0.18 0.00 1.01 -0.19 -4.95 120.40 120.65 2qny s VAL 264 Ca 0.60 1.81 -0.01 0.00 0.00 0.00 0.00 61.98 64.38 2qny s VAL 264 Cb -0.47 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 31.69 2qny s VAL 264 CO 0.53 0.16 -0.11 -0.69 0.00 0.00 0.00 175.10 174.99 2qny s VAL 265 N 1.15 2.91 0.18 2.92 1.01 -1.26 -0.12 120.40 127.19 2qny s VAL 265 Ca 0.45 -0.67 -0.33 0.00 0.00 0.00 0.00 61.98 61.44 2qny s VAL 265 Cb -0.19 -2.27 -0.14 0.00 0.00 0.00 0.00 36.38 33.78 2qny s VAL 265 CO 0.22 0.48 1.47 0.00 0.00 0.00 0.00 175.10 177.27 2qny n ALA 266 N 4.39 0.91 -2.25 5.51 0.00 0.13 -4.90 120.51 124.30 2qny n ALA 266 Ca -0.19 0.44 0.03 0.00 0.00 0.00 0.00 53.44 53.73 2qny n ALA 266 Cb 0.51 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 17.72 2qny n ALA 266 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qny n ASN 267 N 2.77 0.85 0.30 0.00 5.15 -1.26 -4.85 115.26 118.21 2qny n ASN 267 Ca 0.15 -2.19 0.19 0.00 -0.60 0.00 0.00 54.58 52.12 2qny n ASN 267 Cb 0.28 -0.30 1.01 0.00 -0.53 0.00 0.00 39.78 40.24 2qny n ASN 267 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2qny h ASP 268 N 0.71 0.00 -0.54 1.20 3.58 -1.90 -2.30 116.42 117.17 2qny h ASP 268 Ca -0.14 0.00 0.16 0.00 0.42 0.00 0.00 57.03 57.46 2qny h ASP 268 Cb 1.67 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.69 2qny h ASP 268 CO 0.06 0.00 0.57 -0.29 -2.88 0.00 0.00 179.24 176.70 2qny h ILE 269 N 0.00 0.33 -0.58 2.25 2.10 -1.90 -2.33 117.51 117.37 2qny h ILE 269 Ca 0.02 0.00 0.05 0.00 1.08 0.00 0.00 64.86 66.01 2qny h ILE 269 Cb 0.18 0.55 -0.05 0.00 -1.09 0.00 0.00 36.82 36.41 2qny h ILE 269 CO -0.00 0.00 0.32 -0.08 -1.08 0.00 0.00 178.15 177.31 2qny h GLU 270 N 0.00 0.58 0.00 2.19 4.81 -1.53 -0.49 114.58 120.14 2qny h GLU 270 Ca 0.26 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2qny h GLU 270 Cb 1.40 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2qny h GLU 270 CO -0.00 0.39 -0.05 0.72 -0.73 0.00 0.00 179.01 179.33 2qny n HIS 271 N -4.83 0.00 0.00 0.92 8.25 -1.09 0.07 115.22 118.55 2qny n HIS 271 Ca 0.06 -0.78 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 2qny n HIS 271 Cb 0.14 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2qny n HIS 271 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2qny n THR 272 N -1.09 0.00 -4.74 1.59 -1.04 -0.90 -4.19 114.28 103.91 2qny n THR 272 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 2qny n THR 272 Cb 0.58 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 2qny n THR 272 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qny n GLY 273 N 1.61 -0.37 3.56 3.41 0.00 -0.20 -4.32 105.19 108.89 2qny n GLY 273 Ca 0.00 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 2qny n GLY 273 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qny s ASN 274 N -4.00 6.44 -0.29 1.61 3.84 -0.13 -4.49 114.94 117.91 2qny s ASN 274 Ca 0.00 0.08 0.09 0.00 0.21 0.00 0.00 52.86 53.24 2qny s ASN 274 Cb 0.00 -2.35 0.52 0.00 -0.55 0.00 0.00 41.25 38.86 2qny s ASN 274 CO 0.00 -0.71 1.49 0.35 -2.79 0.00 0.00 177.10 175.44 2qny n THR 275 N 5.77 2.58 0.00 -5.21 -2.24 -1.26 -1.12 114.28 112.80 2qny n THR 275 Ca 0.00 -2.66 0.00 0.00 -2.27 0.00 0.00 64.05 59.12 2qny n THR 275 Cb 0.48 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 2qny n THR 275 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2qny n SER 276 N -1.09 0.00 0.26 3.42 2.88 -1.26 -1.74 113.62 116.09 2qny n SER 276 Ca 0.34 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.98 2qny n SER 276 Cb 1.06 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 65.24 2qny n SER 276 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qny h ALA 277 N -0.33 1.89 0.00 -1.46 0.00 -1.79 -1.99 119.26 115.59 2qny h ALA 277 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qny h ALA 277 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qny h ALA 277 CO 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 179.25 179.09 2qny n ALA 278 N -2.48 2.65 0.17 0.00 0.00 -0.71 -4.47 120.51 115.67 2qny n ALA 278 Ca -0.03 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.11 2qny n ALA 278 Cb 0.11 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 2qny n ALA 278 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qny h SER 279 N 0.00 -0.31 0.30 0.00 0.87 -1.41 -1.45 113.55 111.54 2qny h SER 279 Ca 0.00 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2qny h SER 279 Cb 0.51 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2qny h SER 279 CO 0.00 -0.19 -0.14 0.40 -0.53 0.00 0.00 176.83 176.37 2qny h ILE 280 N -0.42 0.71 0.00 2.23 2.04 -1.79 0.24 117.51 120.52 2qny h ILE 280 Ca -0.04 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 2qny h ILE 280 Cb 0.32 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2qny h ILE 280 CO 0.06 0.00 -0.31 1.55 0.00 0.00 0.00 178.15 179.45 2qny h PRO 281 N -0.41 0.00 -0.61 2.37 0.13 -1.84 0.18 132.00 131.82 2qny h PRO 281 Ca -0.04 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.99 2qny h PRO 281 Cb 0.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 2qny h PRO 281 CO 0.07 0.31 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.08 2qny h LEU 282 N 0.00 1.06 -0.66 1.56 3.38 -1.01 -1.35 115.31 118.28 2qny h LEU 282 Ca -0.00 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 2qny h LEU 282 Cb 0.56 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2qny h LEU 282 CO 0.04 1.11 -0.13 0.00 0.09 0.00 0.00 178.44 179.54 2qny h ALA 283 N 1.00 0.85 -0.44 1.53 0.00 0.27 -1.80 119.26 120.67 2qny h ALA 283 Ca 0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2qny h ALA 283 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2qny h ALA 283 CO 0.03 0.65 0.24 0.52 0.00 0.00 0.00 179.25 180.69 2qny h MET 284 N 0.81 0.61 -0.65 0.00 2.86 -0.54 -2.52 114.93 115.49 2qny h MET 284 Ca 0.13 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2qny h MET 284 Cb 0.67 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 2qny h MET 284 CO 0.05 0.48 0.34 0.00 1.06 0.00 0.00 176.91 178.84 2qny h ALA 285 N 1.09 0.84 -0.70 6.32 0.00 -1.05 -2.50 119.26 123.27 2qny h ALA 285 Ca 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qny h ALA 285 Cb 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2qny h ALA 285 CO -0.03 0.38 0.43 1.49 0.00 0.00 0.00 179.25 181.52 2qny h GLU 286 N 0.90 0.94 -0.50 0.00 4.22 -1.21 0.18 114.58 119.11 2qny h GLU 286 Ca 0.23 -0.08 -0.06 0.00 0.08 0.00 0.00 59.36 59.52 2qny h GLU 286 Cb 0.07 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2qny h GLU 286 CO -0.03 0.66 0.06 -0.07 -2.18 0.00 0.00 179.01 177.45 2qny h LEU 287 N 0.95 0.75 0.15 1.64 3.38 -1.28 -2.26 115.31 118.64 2qny h LEU 287 Ca 0.25 -0.16 -0.31 0.00 0.09 0.00 0.00 57.88 57.76 2qny h LEU 287 Cb -0.04 -0.20 0.03 0.00 0.09 0.00 0.00 40.66 40.55 2qny h LEU 287 CO -0.05 0.78 -1.30 -0.07 0.09 0.00 0.00 178.44 177.89 2qny h LEU 288 N 0.75 0.88 -0.73 1.67 3.38 -1.06 0.25 115.31 120.44 2qny h LEU 288 Ca 0.16 -0.85 0.06 0.00 0.09 0.00 0.00 57.88 57.34 2qny h LEU 288 Cb 0.37 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2qny h LEU 288 CO 0.01 1.64 0.43 0.74 0.09 0.00 0.00 178.44 181.35 2qny h THR 289 N 0.24 0.99 0.00 0.22 2.02 -0.59 -2.60 112.91 113.19 2qny h THR 289 Ca -0.21 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2qny h THR 289 Cb 1.98 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2qny h THR 289 CO 0.25 0.14 -0.35 0.35 0.37 0.00 0.00 175.52 176.28 2qny n THR 290 N -4.73 0.09 -1.08 3.16 -2.24 -0.86 -4.94 114.28 103.68 2qny n THR 290 Ca 0.10 -0.06 -0.03 0.00 -2.27 0.00 0.00 64.05 61.79 2qny n THR 290 Cb 0.17 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.33 2qny n THR 290 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qny n GLY 291 N 1.46 0.59 0.20 3.38 0.00 -0.98 -4.93 105.19 104.92 2qny n GLY 291 Ca 0.06 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 2qny n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny h ALA 292 N 0.00 0.67 -2.15 4.61 0.00 -1.28 -3.44 119.26 117.67 2qny h ALA 292 Ca -0.06 -0.53 -0.58 0.00 0.00 0.00 0.00 54.91 53.74 2qny h ALA 292 Cb 0.19 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.79 2qny h ALA 292 CO 0.08 0.70 -0.68 0.00 0.00 0.00 0.00 179.25 179.35 2qny s ALA 293 N -3.91 3.01 0.10 0.00 0.00 -0.42 -4.94 121.76 115.60 2qny s ALA 293 Ca -0.07 -1.80 0.10 0.00 0.00 0.00 0.00 51.96 50.19 2qny s ALA 293 Cb 0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2qny s ALA 293 CO 0.84 0.23 -0.26 0.15 0.00 0.00 0.00 175.76 176.72 2qny s LYS 294 N -3.62 1.46 0.32 0.00 -0.14 -1.26 -4.43 119.74 112.08 2qny s LYS 294 Ca 0.32 -1.24 -0.29 0.00 -1.36 0.00 0.00 55.97 53.39 2qny s LYS 294 Cb -0.05 -1.83 -0.12 0.00 -1.68 0.00 0.00 37.83 34.15 2qny s LYS 294 CO 0.18 0.45 1.41 -2.30 -0.76 0.00 0.00 175.35 174.32 2qny n PRO 295 N 1.21 2.34 0.00 -1.68 -0.02 -1.26 -1.68 135.00 133.91 2qny n PRO 295 Ca -0.18 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2qny n PRO 295 Cb 0.53 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2qny n PRO 295 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qny n GLY 296 N 1.18 1.81 3.78 -1.23 0.00 0.44 -4.90 105.19 106.26 2qny n GLY 296 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2qny n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qny s ASP 297 N -2.25 6.36 -0.18 1.61 1.01 -0.67 -4.45 116.67 118.09 2qny s ASP 297 Ca 0.00 2.99 -0.29 0.00 0.71 0.00 0.00 52.55 55.95 2qny s ASP 297 Cb 0.00 -2.66 -0.01 0.00 1.01 0.00 0.00 42.92 41.26 2qny s ASP 297 CO 0.00 -0.85 1.19 -0.22 0.21 0.00 0.00 175.17 175.49 2qny s LEU 298 N -2.12 4.16 0.04 1.23 2.96 -1.26 -0.12 118.68 123.57 2qny s LEU 298 Ca 0.53 1.60 0.09 0.00 -0.22 0.00 0.00 54.13 56.12 2qny s LEU 298 Cb -0.45 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.67 2qny s LEU 298 CO 0.61 -0.72 -0.25 0.00 -1.32 0.00 0.00 176.35 174.67 2qny s ALA 299 N 3.32 2.11 -0.25 5.97 0.00 0.12 -0.86 121.76 132.17 2qny s ALA 299 Ca 0.51 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 2qny s ALA 299 Cb -0.20 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 2qny s ALA 299 CO 0.12 0.50 0.01 -1.17 0.00 0.00 0.00 175.76 175.22 2qny s LEU 300 N -1.14 3.26 -0.16 0.00 2.96 -0.06 -0.83 118.68 122.71 2qny s LEU 300 Ca 0.10 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2qny s LEU 300 Cb -0.10 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2qny s LEU 300 CO 0.02 -0.07 0.03 -0.76 -1.32 0.00 0.00 176.35 174.25 2qny s LEU 301 N 1.50 3.67 -0.16 -0.68 1.43 -0.42 -0.75 118.68 123.27 2qny s LEU 301 Ca 0.05 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2qny s LEU 301 Cb -0.15 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.21 2qny s LEU 301 CO -0.01 0.21 -0.00 -0.63 0.23 0.00 0.00 176.35 176.15 2qny s ILE 302 N 0.15 0.69 -0.18 -0.59 1.01 -1.05 -1.63 121.20 119.60 2qny s ILE 302 Ca 0.03 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 2qny s ILE 302 Cb -0.13 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 2qny s ILE 302 CO 0.01 -0.00 0.17 -0.83 0.00 0.00 0.00 174.94 174.29 2qny s GLY 303 N 1.81 2.09 0.01 6.18 0.00 0.62 -0.38 107.32 117.64 2qny s GLY 303 Ca 0.01 -0.63 -0.05 0.00 0.00 0.00 0.00 44.72 44.05 2qny s GLY 303 CO -0.07 0.14 0.08 -2.52 0.00 0.00 0.00 173.10 170.73 2qny s TYR 304 N 0.21 0.13 -0.74 1.90 -0.85 -1.26 -1.41 117.35 115.33 2qny s TYR 304 Ca 0.11 -0.30 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 2qny s TYR 304 Cb -0.12 -0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.12 2qny s TYR 304 CO 0.00 -0.26 0.00 0.41 -1.52 0.00 0.00 175.55 174.18 2qny n GLY 305 N 1.45 -0.28 3.59 5.49 0.00 -0.89 -4.56 105.19 109.99 2qny n GLY 305 Ca -0.23 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 2qny n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qny n ALA 306 N -0.20 -0.43 0.00 4.61 0.00 -1.26 -1.59 120.51 121.64 2qny n ALA 306 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2qny n ALA 306 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.37 2qny n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qny n GLY 307 N 1.15 2.18 3.15 0.00 0.00 -1.26 -2.45 105.19 107.96 2qny n GLY 307 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 2qny n GLY 307 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qny n LEU 308 N 0.00 -3.94 -4.10 0.99 4.77 -1.06 -4.06 117.00 109.61 2qny n LEU 308 Ca 0.00 0.57 -0.20 0.00 -0.03 0.00 0.00 56.01 56.35 2qny n LEU 308 Cb 0.00 -1.61 -0.14 0.00 -2.33 0.00 0.00 43.42 39.34 2qny n LEU 308 CO 0.00 -1.80 -0.45 -0.44 -1.33 0.00 0.00 177.39 173.36 2qny s SER 309 N -0.77 1.43 0.05 -1.43 0.01 -0.62 -0.51 113.70 111.86 2qny s SER 309 Ca -0.00 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 56.95 2qny s SER 309 Cb 0.00 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 2qny s SER 309 CO 0.02 0.07 -0.08 -0.72 0.41 0.00 0.00 173.24 172.94 2qny s TYR 310 N -0.60 0.75 -0.16 2.43 -0.85 -0.65 -2.09 117.35 116.18 2qny s TYR 310 Ca 0.02 -0.53 -0.09 0.00 -0.52 0.00 0.00 57.07 55.95 2qny s TYR 310 Cb -0.06 -0.44 0.06 0.00 0.38 0.00 0.00 41.96 41.89 2qny s TYR 310 CO 0.00 -0.07 0.40 0.00 -1.52 0.00 0.00 175.55 174.36 2qny s ALA 311 N -1.53 -1.02 0.05 9.51 0.00 -0.50 -2.09 121.76 126.18 2qny s ALA 311 Ca -0.07 1.47 0.01 0.00 0.00 0.00 0.00 51.96 53.36 2qny s ALA 311 Cb -0.09 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2qny s ALA 311 CO 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 175.76 175.45 2qny s ALA 312 N 1.30 0.51 0.00 0.00 0.00 0.76 -0.28 121.76 124.06 2qny s ALA 312 Ca -0.09 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 50.71 2qny s ALA 312 Cb -0.08 0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.25 2qny s ALA 312 CO -0.11 -0.15 0.73 1.14 0.00 0.00 0.00 175.76 177.37 2qny s GLN 313 N -2.27 1.03 -0.11 0.00 0.00 -0.65 -0.71 119.66 116.95 2qny s GLN 313 Ca -0.05 -0.05 -0.19 0.00 -0.00 0.00 0.00 55.36 55.07 2qny s GLN 313 Cb -0.05 0.48 -0.04 0.00 0.00 0.00 0.00 33.01 33.40 2qny s GLN 313 CO -0.02 -0.38 0.50 0.08 0.00 0.00 0.00 175.29 175.47 2qny s VAL 314 N -2.21 5.17 0.24 3.63 1.01 -1.26 -1.31 120.40 125.67 2qny s VAL 314 Ca -0.04 1.01 0.02 0.00 0.00 0.00 0.00 61.98 62.97 2qny s VAL 314 Cb -0.00 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 2qny s VAL 314 CO -0.01 0.31 0.06 0.68 0.00 0.00 0.00 175.10 176.14 2qny s VAL 315 N 0.67 0.69 -0.08 2.92 -7.23 -0.01 0.06 120.40 117.42 2qny s VAL 315 Ca 0.27 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.36 2qny s VAL 315 Cb -0.15 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2qny s VAL 315 CO 0.11 -0.16 0.21 -0.13 -0.31 0.00 0.00 175.10 174.81 2qny s ARG 316 N -3.97 3.54 0.33 4.82 0.52 -0.55 0.10 118.95 123.73 2qny s ARG 316 Ca 0.33 -0.04 -0.29 0.00 -0.52 0.00 0.00 55.73 55.21 2qny s ARG 316 Cb 0.07 -3.17 -0.11 0.00 0.52 0.00 0.00 34.95 32.26 2qny s ARG 316 CO 0.11 0.74 1.45 -1.64 0.02 0.00 0.00 175.30 175.98 2qny s MET 317 N -1.19 4.20 1.03 3.54 -1.94 0.82 -4.49 119.30 121.27 2qny s MET 317 Ca 0.19 2.43 -0.17 0.00 -1.71 0.00 0.00 55.69 56.43 2qny s MET 317 Cb -0.13 -3.03 0.24 0.00 2.01 0.00 0.00 34.83 33.92 2qny s MET 317 CO 0.08 -0.44 1.28 -0.35 -0.01 0.00 0.00 175.02 175.58 2qny n PRO 317 N 1.13 -1.69 0.00 2.03 -0.04 -1.25 -0.42 135.00 134.75 2qny n PRO 317 Ca 0.03 -1.99 0.12 0.00 -0.04 0.00 0.00 63.50 61.62 2qny n PRO 317 Cb 0.40 -1.42 0.70 0.00 -0.04 0.00 0.00 33.50 33.13 2qny n PRO 317 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09