#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nq9 n ILE 2 N 0.00 0.34 -2.55 1.96 0.13 -1.26 -4.98 119.36 113.00 3nq9 n ILE 2 Ca 0.00 0.11 -0.43 0.00 -1.10 0.00 0.00 62.75 61.33 3nq9 n ILE 2 Cb 0.00 -1.00 -0.02 0.00 -0.84 0.00 0.00 39.64 37.78 3nq9 n ILE 2 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 3nq9 s VAL 3 N -2.00 4.49 -0.15 9.51 1.01 -1.26 -4.88 120.40 127.11 3nq9 s VAL 3 Ca 0.00 1.80 0.15 0.00 0.00 0.00 0.00 61.98 63.93 3nq9 s VAL 3 Cb 0.00 -4.16 0.34 0.00 0.00 0.00 0.00 36.38 32.56 3nq9 s VAL 3 CO 0.00 -0.13 1.17 0.35 0.00 0.00 0.00 175.10 176.49 3nq9 n THR 4 N 5.23 1.89 -3.98 3.92 -2.24 -1.26 -4.94 114.28 112.90 3nq9 n THR 4 Ca 0.12 -2.54 -0.35 0.00 -2.27 0.00 0.00 64.05 59.01 3nq9 n THR 4 Cb 0.46 -0.17 -0.13 0.00 -2.10 0.00 0.00 70.33 68.39 3nq9 n THR 4 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3nq9 s GLN 5 N -2.83 3.58 0.07 -0.78 0.74 -1.26 -5.09 119.66 114.09 3nq9 s GLN 5 Ca 0.33 -0.53 0.00 0.00 0.05 0.00 0.00 55.36 55.21 3nq9 s GLN 5 Cb 0.31 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 31.26 3nq9 s GLN 5 CO -0.02 -0.07 -0.05 0.95 -0.55 0.00 0.00 175.29 175.56 3nq9 s THR 6 N 1.21 0.43 -0.13 -0.34 -4.23 -1.26 -4.53 115.64 106.80 3nq9 s THR 6 Ca 0.03 -1.81 -0.23 0.00 -1.18 0.00 0.00 61.69 58.50 3nq9 s THR 6 Cb -0.15 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 3nq9 s THR 6 CO 0.01 -0.91 0.72 -0.32 -0.54 0.00 0.00 174.62 173.58 3nq9 s MET 7 N -3.72 4.34 0.13 3.99 1.75 -0.65 -4.86 119.30 120.28 3nq9 s MET 7 Ca 0.08 0.85 -0.30 0.00 -1.25 0.00 0.00 55.69 55.07 3nq9 s MET 7 Cb 0.06 -3.51 -0.07 0.00 2.84 0.00 0.00 34.83 34.15 3nq9 s MET 7 CO -0.07 -0.12 1.04 0.15 -0.65 0.00 0.00 175.02 175.38 3nq9 s LYS 8 N 1.44 4.63 0.00 4.11 1.02 -1.26 -4.05 119.74 125.62 3nq9 s LYS 8 Ca 0.35 1.60 0.00 0.00 0.02 0.00 0.00 55.97 57.94 3nq9 s LYS 8 Cb -0.17 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 3nq9 s LYS 8 CO 0.15 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.09 3nq9 n GLY 9 N 2.25 0.46 3.67 -3.33 0.00 -1.26 -4.99 105.19 101.99 3nq9 n GLY 9 Ca 0.03 -0.87 -0.48 0.00 0.00 0.00 0.00 46.02 44.71 3nq9 n GLY 9 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3nq9 n LEU 10 N 0.00 3.07 -4.25 0.99 7.94 -1.26 -4.98 117.00 118.51 3nq9 n LEU 10 Ca 0.00 1.05 -0.43 0.00 -1.11 0.00 0.00 56.01 55.52 3nq9 n LEU 10 Cb 0.00 -1.38 -0.07 0.00 0.53 0.00 0.00 43.42 42.50 3nq9 n LEU 10 CO 0.00 -0.28 0.08 -0.62 -1.11 0.00 0.00 177.39 175.46 3nq9 s ASP 11 N 2.01 5.96 0.50 1.96 -1.08 -1.26 -4.94 116.67 119.82 3nq9 s ASP 11 Ca 0.85 -1.97 0.27 0.00 -0.52 0.00 0.00 52.55 51.18 3nq9 s ASP 11 Cb -0.72 -2.10 1.30 0.00 -1.46 0.00 0.00 42.92 39.95 3nq9 s ASP 11 CO 0.44 -0.74 1.99 -0.29 0.52 0.00 0.00 175.17 177.10 3nq9 h ILE 12 N 5.90 0.50 -0.11 4.11 6.09 -1.93 -2.48 117.51 129.59 3nq9 h ILE 12 Ca -0.21 -0.72 -0.13 0.00 -1.37 0.00 0.00 64.86 62.43 3nq9 h ILE 12 Cb 1.08 1.49 -0.01 0.00 0.47 0.00 0.00 36.82 39.84 3nq9 h ILE 12 CO 0.91 0.14 -0.52 1.56 -3.07 0.00 0.00 178.15 177.17 3nq9 h GLN 13 N 0.00 0.29 0.00 2.19 1.08 -1.95 -2.80 115.11 113.93 3nq9 h GLN 13 Ca -0.00 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3nq9 h GLN 13 Cb 0.48 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3nq9 h GLN 13 CO 0.02 0.75 0.00 1.63 -0.95 0.00 0.00 178.83 180.28 3nq9 n LYS 14 N -3.94 0.25 0.00 1.46 5.02 -0.93 -2.38 118.16 117.64 3nq9 n LYS 14 Ca -0.02 0.13 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 3nq9 n LYS 14 Cb 0.57 -1.50 0.41 0.00 -0.02 0.00 0.00 35.03 34.48 3nq9 n LYS 14 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3nq9 n VAL 15 N -1.24 0.00 -1.68 -0.18 0.24 -1.05 -4.82 118.33 109.59 3nq9 n VAL 15 Ca 0.08 -0.30 -0.38 0.00 -2.04 0.00 0.00 64.34 61.70 3nq9 n VAL 15 Cb 0.11 0.73 0.06 0.00 -1.47 0.00 0.00 33.84 33.27 3nq9 n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3nq9 n ALA 16 N 0.37 0.74 0.00 2.33 0.00 -1.00 -4.68 120.51 118.27 3nq9 n ALA 16 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3nq9 n ALA 16 Cb 0.41 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3nq9 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nq9 n GLY 17 N 1.07 -0.18 3.72 0.00 0.00 -0.15 -4.90 105.19 104.75 3nq9 n GLY 17 Ca 0.14 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 3nq9 n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3nq9 s THR 18 N 0.00 4.44 0.10 2.61 -4.23 -1.26 -1.07 115.64 116.23 3nq9 s THR 18 Ca 0.00 1.94 0.01 0.00 -1.18 0.00 0.00 61.69 62.47 3nq9 s THR 18 Cb 0.00 -4.24 -0.04 0.00 1.34 0.00 0.00 72.50 69.56 3nq9 s THR 18 CO 0.00 0.26 -0.06 0.26 -0.54 0.00 0.00 174.62 174.54 3nq9 s TRP 19 N 0.28 0.86 -0.05 3.99 0.52 -1.06 -4.64 118.94 118.84 3nq9 s TRP 19 Ca 0.49 -0.93 0.04 0.00 0.02 0.00 0.00 56.10 55.72 3nq9 s TRP 19 Cb -0.24 -0.51 -0.00 0.00 -1.15 0.00 0.00 33.47 31.57 3nq9 s TRP 19 CO 0.30 -0.17 -0.18 0.71 0.02 0.00 0.00 176.95 177.63 3nq9 s TYR 20 N -3.65 1.78 -1.15 -1.98 2.02 0.60 -4.31 117.35 110.66 3nq9 s TYR 20 Ca 0.12 -0.54 -0.21 0.00 -0.37 0.00 0.00 57.07 56.06 3nq9 s TYR 20 Cb 0.06 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.44 3nq9 s TYR 20 CO -0.05 -0.20 1.68 -1.12 -1.57 0.00 0.00 175.55 174.29 3nq9 s SER 21 N 0.11 6.36 0.37 2.29 0.01 -1.26 -1.10 113.70 120.48 3nq9 s SER 21 Ca -0.06 -1.84 0.16 0.00 1.31 0.00 0.00 55.95 55.52 3nq9 s SER 21 Cb -0.12 -2.58 0.73 0.00 0.21 0.00 0.00 66.02 64.26 3nq9 s SER 21 CO 0.03 -1.65 1.79 0.25 0.41 0.00 0.00 173.24 174.07 3nq9 h LEU 22 N 13.73 0.00 -7.40 2.44 5.85 -1.62 -3.44 115.31 124.86 3nq9 h LEU 22 Ca 0.30 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 3nq9 h LEU 22 Cb 0.94 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 41.81 3nq9 h LEU 22 CO 1.40 0.39 -0.12 0.00 -0.34 0.00 0.00 178.44 179.76 3nq9 s ALA 23 N -3.94 -0.96 0.01 1.25 0.00 -1.17 -1.01 121.76 115.94 3nq9 s ALA 23 Ca -0.02 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.10 3nq9 s ALA 23 Cb 0.13 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.61 3nq9 s ALA 23 CO 0.71 -0.46 0.19 -1.64 0.00 0.00 0.00 175.76 174.56 3nq9 s MET 24 N -2.53 0.57 0.04 0.00 -1.94 -0.67 -1.61 119.30 113.15 3nq9 s MET 24 Ca -0.05 -0.40 -0.03 0.00 -1.71 0.00 0.00 55.69 53.51 3nq9 s MET 24 Cb -0.01 0.24 -0.02 0.00 2.01 0.00 0.00 34.83 37.05 3nq9 s MET 24 CO -0.03 -0.15 0.02 0.00 -0.01 0.00 0.00 175.02 174.86 3nq9 s ALA 25 N -1.59 0.17 0.14 3.03 0.00 0.01 -0.74 121.76 122.78 3nq9 s ALA 25 Ca -0.13 -0.77 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 3nq9 s ALA 25 Cb -0.06 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 3nq9 s ALA 25 CO 0.01 -0.29 0.26 0.00 0.00 0.00 0.00 175.76 175.74 3nq9 s ALA 26 N -2.71 -0.10 -0.11 0.00 0.00 -0.25 -0.99 121.76 117.61 3nq9 s ALA 26 Ca -0.04 -0.78 0.19 0.00 0.00 0.00 0.00 51.96 51.34 3nq9 s ALA 26 Cb -0.01 0.75 0.40 0.00 0.00 0.00 0.00 23.12 24.26 3nq9 s ALA 26 CO -0.05 -0.61 1.60 0.66 0.00 0.00 0.00 175.76 177.36 3nq9 h SER 27 N 2.59 0.00 -3.97 0.00 4.64 -1.10 0.12 113.55 115.83 3nq9 h SER 27 Ca -0.32 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.53 3nq9 h SER 27 Cb 1.22 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.01 3nq9 h SER 27 CO 0.50 0.33 -0.80 -1.81 -0.87 0.00 0.00 176.83 174.18 3nq9 s ASP 28 N -6.33 1.48 0.16 4.97 1.01 -1.26 -3.92 116.67 112.79 3nq9 s ASP 28 Ca 0.03 -0.23 -0.16 0.00 0.71 0.00 0.00 52.55 52.90 3nq9 s ASP 28 Cb 0.08 -0.31 0.07 0.00 1.01 0.00 0.00 42.92 43.77 3nq9 s ASP 28 CO 0.70 0.12 1.76 0.40 0.21 0.00 0.00 175.17 178.35 3nq9 h ILE 29 N 5.14 0.92 0.00 0.77 2.04 -1.84 -2.15 117.51 122.38 3nq9 h ILE 29 Ca -0.33 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3nq9 h ILE 29 Cb 1.17 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3nq9 h ILE 29 CO 0.49 0.06 0.11 0.77 0.00 0.00 0.00 178.15 179.57 3nq9 h SER 30 N 0.32 0.00 1.40 1.72 4.64 -1.98 0.11 113.55 119.76 3nq9 h SER 30 Ca 0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 3nq9 h SER 30 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3nq9 h SER 30 CO -0.16 0.00 -0.32 -0.07 -0.87 0.00 0.00 176.83 175.41 3nq9 h LEU 31 N 0.00 0.00 -0.23 5.97 3.38 -1.80 -3.36 115.31 119.27 3nq9 h LEU 31 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3nq9 h LEU 31 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3nq9 h LEU 31 CO 0.00 0.32 0.00 0.18 0.09 0.00 0.00 178.44 179.03 3nq9 n LEU 32 N -3.25 0.23 0.22 1.67 4.77 -0.59 -1.53 117.00 118.50 3nq9 n LEU 32 Ca 0.02 -0.39 -0.08 0.00 -0.03 0.00 0.00 56.01 55.53 3nq9 n LEU 32 Cb 0.60 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3nq9 n LEU 32 CO 0.37 0.06 0.52 -2.24 -1.33 0.00 0.00 177.39 174.76 3nq9 h ASP 33 N 0.00 -0.47 -4.07 -1.43 2.03 -0.97 -3.43 116.42 108.08 3nq9 h ASP 33 Ca 0.00 0.02 -0.49 0.00 -0.73 0.00 0.00 57.03 55.83 3nq9 h ASP 33 Cb 0.09 0.12 0.05 0.00 -0.83 0.00 0.00 39.33 38.76 3nq9 h ASP 33 CO 0.00 -0.33 0.41 0.00 -1.03 0.00 0.00 179.24 178.29 3nq9 s ALA 34 N -4.21 2.82 0.47 4.15 0.00 -1.26 -4.90 121.76 118.83 3nq9 s ALA 34 Ca -0.08 0.72 0.34 0.00 0.00 0.00 0.00 51.96 52.94 3nq9 s ALA 34 Cb 0.01 -3.31 1.48 0.00 0.00 0.00 0.00 23.12 21.31 3nq9 s ALA 34 CO 0.24 -0.51 1.64 0.37 0.00 0.00 0.00 175.76 177.50 3nq9 h GLN 35 N 1.49 0.08 -0.67 0.00 4.15 -1.99 0.19 115.11 118.35 3nq9 h GLN 35 Ca -0.50 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3nq9 h GLN 35 Cb 1.24 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.91 3nq9 h GLN 35 CO 0.58 0.05 0.00 -1.13 -1.93 0.00 0.00 178.83 176.40 3nq9 n SER 36 N -4.48 4.13 -4.67 -0.69 3.41 -1.26 -4.38 113.62 105.68 3nq9 n SER 36 Ca 0.37 -2.21 -0.41 0.00 -0.26 0.00 0.00 58.87 56.35 3nq9 n SER 36 Cb 1.50 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 64.95 3nq9 n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nq9 n ALA 37 N 1.30 0.96 -0.33 7.33 0.00 0.66 -4.88 120.51 125.54 3nq9 n ALA 37 Ca 0.24 0.25 0.21 0.00 0.00 0.00 0.00 53.44 54.15 3nq9 n ALA 37 Cb 0.72 -2.21 0.44 0.00 0.00 0.00 0.00 19.45 18.40 3nq9 n ALA 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3nq9 h PRO 38 N 1.91 0.35 -0.30 0.00 0.11 -1.78 -2.62 132.00 129.66 3nq9 h PRO 38 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3nq9 h PRO 38 Cb 1.31 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3nq9 h PRO 38 CO 0.59 0.23 0.00 1.28 -0.21 0.00 0.00 178.00 179.89 3nq9 n LEU 39 N -5.04 2.83 -4.57 2.35 4.32 -0.58 -4.78 117.00 111.52 3nq9 n LEU 39 Ca 0.30 -1.72 -0.35 0.00 -0.02 0.00 0.00 56.01 54.21 3nq9 n LEU 39 Cb 0.91 -0.20 -0.03 0.00 -1.62 0.00 0.00 43.42 42.47 3nq9 n LEU 39 CO 0.10 0.67 1.59 -0.60 -1.22 0.00 0.00 177.39 177.93 3nq9 s ARG 40 N -1.03 3.22 -0.02 3.23 6.06 -0.99 -4.92 118.95 124.50 3nq9 s ARG 40 Ca 0.24 -1.18 0.06 0.00 -2.50 0.00 0.00 55.73 52.35 3nq9 s ARG 40 Cb 0.13 -5.32 -0.01 0.00 0.06 0.00 0.00 34.95 29.82 3nq9 s ARG 40 CO 0.18 -2.88 -0.20 0.14 -2.50 0.00 0.00 175.30 170.04 3nq9 s VAL 41 N 7.26 1.63 -0.21 7.11 -7.23 -1.26 -4.58 120.40 123.11 3nq9 s VAL 41 Ca 0.58 -0.87 -0.03 0.00 -1.81 0.00 0.00 61.98 59.86 3nq9 s VAL 41 Cb -0.01 -1.36 -0.00 0.00 0.56 0.00 0.00 36.38 35.57 3nq9 s VAL 41 CO 0.02 0.46 -0.06 -0.31 -0.31 0.00 0.00 175.10 174.90 3nq9 s TYR 42 N -0.36 2.93 0.29 2.82 1.51 -0.66 -4.98 117.35 118.89 3nq9 s TYR 42 Ca 0.05 -1.02 -0.28 0.00 -1.01 0.00 0.00 57.07 54.80 3nq9 s TYR 42 Cb -0.09 -2.08 -0.09 0.00 -0.11 0.00 0.00 41.96 39.59 3nq9 s TYR 42 CO 0.00 -0.58 1.00 0.08 -1.11 0.00 0.00 175.55 174.94 3nq9 s VAL 43 N 1.44 3.90 -0.12 0.71 1.01 -1.26 -0.86 120.40 125.22 3nq9 s VAL 43 Ca 0.05 1.78 -0.06 0.00 0.00 0.00 0.00 61.98 63.76 3nq9 s VAL 43 Cb -0.14 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3nq9 s VAL 43 CO -0.04 0.33 -0.16 1.21 0.00 0.00 0.00 175.10 176.44 3nq9 n GLU 44 N 1.02 0.26 -3.69 2.72 2.13 -0.18 -4.22 120.64 118.69 3nq9 n GLU 44 Ca -0.00 0.11 -0.13 0.00 0.66 0.00 0.00 57.16 57.80 3nq9 n GLU 44 Cb 0.47 -0.96 -0.09 0.00 0.27 0.00 0.00 31.44 31.13 3nq9 n GLU 44 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3nq9 s GLU 45 N -2.23 0.62 -0.20 5.31 2.12 -1.12 -2.55 118.70 120.66 3nq9 s GLU 45 Ca -0.17 0.79 -0.08 0.00 0.36 0.00 0.00 54.97 55.87 3nq9 s GLU 45 Cb 0.06 0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.69 3nq9 s GLU 45 CO 0.22 -0.09 0.09 -0.51 -0.54 0.00 0.00 175.26 174.43 3nq9 s LEU 46 N 0.46 3.87 -0.60 2.70 1.43 -0.23 -1.63 118.68 124.67 3nq9 s LEU 46 Ca -0.01 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 3nq9 s LEU 46 Cb -0.04 -2.00 0.15 0.00 0.03 0.00 0.00 46.19 44.33 3nq9 s LEU 46 CO -0.02 0.14 0.38 -0.54 0.23 0.00 0.00 176.35 176.54 3nq9 s LYS 47 N 0.60 2.16 0.23 1.70 1.02 0.07 -0.98 119.74 124.54 3nq9 s LYS 47 Ca 0.04 -2.94 -0.30 0.00 0.02 0.00 0.00 55.97 52.79 3nq9 s LYS 47 Cb -0.13 -3.27 -0.10 0.00 -0.52 0.00 0.00 37.83 33.81 3nq9 s LYS 47 CO 0.01 -1.21 1.51 -1.25 -0.92 0.00 0.00 175.35 173.49 3nq9 s PRO 48 N -0.83 4.22 0.64 -1.68 0.04 -1.26 -1.44 135.00 134.70 3nq9 s PRO 48 Ca 0.21 2.37 -0.12 0.00 0.04 0.00 0.00 61.00 63.51 3nq9 s PRO 48 Cb -0.15 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 3nq9 s PRO 48 CO -0.09 -0.52 1.04 0.95 0.04 0.00 0.00 177.00 178.43 3nq9 s THR 49 N 0.35 4.32 0.43 1.26 -4.23 0.08 -4.93 115.64 112.92 3nq9 s THR 49 Ca 0.63 0.80 0.17 0.00 -1.18 0.00 0.00 61.69 62.12 3nq9 s THR 49 Cb -0.44 -3.61 0.37 0.00 1.34 0.00 0.00 72.50 70.16 3nq9 s THR 49 CO 0.40 -0.94 1.89 -0.65 -0.54 0.00 0.00 174.62 174.79 3nq9 h PRO 50 N -0.35 0.39 -0.04 3.99 0.11 -1.95 -0.79 132.00 133.35 3nq9 h PRO 50 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3nq9 h PRO 50 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3nq9 h PRO 50 CO 0.59 0.26 0.00 -0.85 -0.21 0.00 0.00 178.00 177.79 3nq9 n GLU 51 N -4.48 1.28 -0.56 1.05 0.28 -1.26 -4.96 120.64 111.99 3nq9 n GLU 51 Ca 0.16 -0.42 0.00 0.00 -0.16 0.00 0.00 57.16 56.74 3nq9 n GLU 51 Cb 0.61 -1.40 0.00 0.00 1.43 0.00 0.00 31.44 32.07 3nq9 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3nq9 n GLY 52 N 0.99 0.69 3.84 -1.84 0.00 -0.30 -5.00 105.19 103.57 3nq9 n GLY 52 Ca 0.18 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 3nq9 n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nq9 s ASP 53 N -2.26 5.24 -0.29 1.61 1.01 -1.26 -4.29 116.67 116.43 3nq9 s ASP 53 Ca 0.00 1.33 0.03 0.00 0.71 0.00 0.00 52.55 54.62 3nq9 s ASP 53 Cb 0.00 -2.16 0.08 0.00 1.01 0.00 0.00 42.92 41.84 3nq9 s ASP 53 CO 0.00 -1.49 -0.03 -0.22 0.21 0.00 0.00 175.17 173.63 3nq9 s LEU 54 N -5.51 3.82 0.03 1.23 2.96 0.73 -0.74 118.68 121.20 3nq9 s LEU 54 Ca 0.58 -1.68 -0.27 0.00 -0.22 0.00 0.00 54.13 52.55 3nq9 s LEU 54 Cb -0.13 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 3nq9 s LEU 54 CO 0.54 -0.28 0.84 -1.61 -1.32 0.00 0.00 176.35 174.51 3nq9 s GLU 55 N 1.08 4.54 -0.18 1.98 2.02 -0.52 -0.22 118.70 127.40 3nq9 s GLU 55 Ca -0.00 1.18 0.01 0.00 0.02 0.00 0.00 54.97 56.18 3nq9 s GLU 55 Cb -0.19 -3.40 0.03 0.00 0.10 0.00 0.00 34.13 30.66 3nq9 s GLU 55 CO -0.07 0.17 -0.17 0.42 0.02 0.00 0.00 175.26 175.62 3nq9 s ILE 56 N 0.31 1.94 -0.19 -1.63 1.01 0.33 -0.75 121.20 122.22 3nq9 s ILE 56 Ca 0.43 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 59.95 3nq9 s ILE 56 Cb -0.21 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3nq9 s ILE 56 CO 0.25 0.45 0.52 -0.76 0.00 0.00 0.00 174.94 175.40 3nq9 s LEU 57 N 1.32 4.17 0.24 2.97 1.43 -0.65 -0.45 118.68 127.72 3nq9 s LEU 57 Ca 0.03 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 3nq9 s LEU 57 Cb -0.14 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 3nq9 s LEU 57 CO -0.12 -0.16 0.20 -1.48 0.23 0.00 0.00 176.35 175.02 3nq9 s LEU 58 N 1.50 1.28 0.06 1.79 -0.00 -0.06 -1.01 118.68 122.24 3nq9 s LEU 58 Ca 0.25 -1.48 0.05 0.00 -0.00 0.00 0.00 54.13 52.95 3nq9 s LEU 58 Cb -0.15 0.53 -0.04 0.00 -0.00 0.00 0.00 46.19 46.53 3nq9 s LEU 58 CO 0.10 -0.93 -0.05 -1.10 -0.00 0.00 0.00 176.35 174.37 3nq9 s GLN 59 N -3.91 2.44 0.03 1.48 -0.21 -0.03 -0.08 119.66 119.36 3nq9 s GLN 59 Ca 0.38 -0.85 -0.20 0.00 0.02 0.00 0.00 55.36 54.72 3nq9 s GLN 59 Cb 0.05 -2.47 0.04 0.00 1.00 0.00 0.00 33.01 31.64 3nq9 s GLN 59 CO 0.17 0.55 0.45 -1.59 -2.12 0.00 0.00 175.29 172.75 3nq9 s LYS 60 N -1.99 0.93 -0.15 2.91 -2.85 0.64 -1.66 119.74 117.57 3nq9 s LYS 60 Ca 0.22 -0.25 -0.29 0.00 -1.00 0.00 0.00 55.97 54.65 3nq9 s LYS 60 Cb -0.11 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 3nq9 s LYS 60 CO 0.13 -0.31 1.45 -0.46 0.10 0.00 0.00 175.35 176.26 3nq9 s TRP 61 N -2.18 2.42 0.00 1.78 -0.11 -1.26 -0.39 118.94 119.20 3nq9 s TRP 61 Ca -0.07 0.65 0.00 0.00 1.22 0.00 0.00 56.10 57.90 3nq9 s TRP 61 Cb -0.01 -3.76 0.00 0.00 -1.50 0.00 0.00 33.47 28.20 3nq9 s TRP 61 CO -0.00 -2.60 0.00 0.39 -4.62 0.00 0.00 176.95 170.12 3nq9 n GLU 62 N 7.03 1.41 0.00 5.86 1.02 -0.59 -4.61 120.64 130.75 3nq9 n GLU 62 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3nq9 n GLU 62 Cb 0.44 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 3nq9 n GLU 62 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3nq9 n ASN 63 N -1.92 0.00 -2.04 1.62 2.85 -1.26 -4.88 115.26 109.63 3nq9 n ASN 63 Ca 0.00 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.22 3nq9 n ASN 63 Cb 0.36 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.42 3nq9 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3nq9 n GLY 64 N 5.00 6.26 3.02 8.20 0.00 -1.26 -5.01 105.19 121.40 3nq9 n GLY 64 Ca 0.00 -2.55 -0.11 0.00 0.00 0.00 0.00 46.02 43.36 3nq9 n GLY 64 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3nq9 s GLU 65 N -3.63 0.32 -0.72 1.61 -1.05 -1.26 -5.10 118.70 108.87 3nq9 s GLU 65 Ca 0.53 -0.36 -0.25 0.00 -0.15 0.00 0.00 54.97 54.75 3nq9 s GLU 65 Cb 0.43 0.13 0.05 0.00 -0.44 0.00 0.00 34.13 34.30 3nq9 s GLU 65 CO 0.03 -0.07 1.14 0.00 0.95 0.00 0.00 175.26 177.31 3nq9 s ALA 67 N 4.84 3.60 0.35 0.00 0.00 0.48 -4.86 121.76 126.17 3nq9 s ALA 67 Ca 0.29 -0.09 -0.25 0.00 0.00 0.00 0.00 51.96 51.92 3nq9 s ALA 67 Cb -0.12 -2.54 -0.10 0.00 0.00 0.00 0.00 23.12 20.36 3nq9 s ALA 67 CO 0.11 0.44 0.95 -0.65 0.00 0.00 0.00 175.76 176.61 3nq9 s GLN 68 N -1.55 4.49 0.02 0.00 -1.52 -1.26 -0.26 119.66 119.57 3nq9 s GLN 68 Ca 0.33 1.30 0.00 0.00 -1.95 0.00 0.00 55.36 55.04 3nq9 s GLN 68 Cb -0.17 -2.66 -0.01 0.00 -0.22 0.00 0.00 33.01 29.95 3nq9 s GLN 68 CO 0.18 0.19 -0.03 0.15 -0.25 0.00 0.00 175.29 175.53 3nq9 s LYS 69 N -2.31 0.26 -0.24 2.91 1.02 0.88 -4.90 119.74 117.35 3nq9 s LYS 69 Ca 0.53 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 56.10 3nq9 s LYS 69 Cb -0.17 -0.00 0.06 0.00 -0.52 0.00 0.00 37.83 37.20 3nq9 s LYS 69 CO 0.22 -0.01 -0.10 0.21 -0.92 0.00 0.00 175.35 174.75 3nq9 s LYS 70 N -1.00 2.07 -0.14 1.68 2.20 -1.26 -0.88 119.74 122.39 3nq9 s LYS 70 Ca -0.10 -1.17 -0.07 0.00 -0.36 0.00 0.00 55.97 54.27 3nq9 s LYS 70 Cb -0.07 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 3nq9 s LYS 70 CO -0.01 -0.55 0.10 0.42 -0.36 0.00 0.00 175.35 174.95 3nq9 s ILE 71 N 1.23 5.13 -0.26 5.43 -1.09 0.41 -4.93 121.20 127.11 3nq9 s ILE 71 Ca -0.07 0.08 -0.06 0.00 -2.23 0.00 0.00 60.65 58.37 3nq9 s ILE 71 Cb -0.19 -3.26 -0.01 0.00 -1.58 0.00 0.00 42.46 37.42 3nq9 s ILE 71 CO -0.06 0.54 0.03 -0.51 -1.23 0.00 0.00 174.94 173.72 3nq9 s ILE 72 N -0.41 3.83 -0.33 2.92 1.10 -1.26 0.12 121.20 127.17 3nq9 s ILE 72 Ca 0.11 -0.49 -0.09 0.00 -0.51 0.00 0.00 60.65 59.66 3nq9 s ILE 72 Cb -0.12 -2.85 0.01 0.00 0.15 0.00 0.00 42.46 39.66 3nq9 s ILE 72 CO 0.02 0.27 0.16 0.00 -2.11 0.00 0.00 174.94 173.27 3nq9 s ALA 73 N 1.52 3.23 0.23 1.50 0.00 0.70 -4.45 121.76 124.49 3nq9 s ALA 73 Ca 0.05 -1.54 -0.24 0.00 0.00 0.00 0.00 51.96 50.22 3nq9 s ALA 73 Cb -0.16 -2.41 -0.09 0.00 0.00 0.00 0.00 23.12 20.46 3nq9 s ALA 73 CO 0.01 -1.11 0.82 -1.21 0.00 0.00 0.00 175.76 174.27 3nq9 s GLU 74 N 1.56 4.50 0.83 0.00 2.02 0.17 -0.19 118.70 127.58 3nq9 s GLU 74 Ca 0.03 1.14 -0.12 0.00 0.02 0.00 0.00 54.97 56.04 3nq9 s GLU 74 Cb -0.18 -3.02 0.09 0.00 0.10 0.00 0.00 34.13 31.13 3nq9 s GLU 74 CO 0.06 0.43 1.18 -1.59 0.02 0.00 0.00 175.26 175.36 3nq9 s LYS 75 N -1.66 1.54 0.15 1.61 -2.85 -1.26 -0.34 119.74 116.93 3nq9 s LYS 75 Ca 0.42 1.67 0.00 0.00 -1.00 0.00 0.00 55.97 57.07 3nq9 s LYS 75 Cb -0.20 -1.77 -0.00 0.00 -2.06 0.00 0.00 37.83 33.79 3nq9 s LYS 75 CO 0.24 -2.27 0.02 0.25 0.10 0.00 0.00 175.35 173.69 3nq9 n THR 76 N -3.51 0.00 0.48 3.79 -2.24 -1.20 -4.73 114.28 106.87 3nq9 n THR 76 Ca 0.13 -0.75 0.11 0.00 -2.27 0.00 0.00 64.05 61.27 3nq9 n THR 76 Cb 0.51 0.19 0.44 0.00 -2.10 0.00 0.00 70.33 69.38 3nq9 n THR 76 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3nq9 n LYS 77 N -0.35 0.14 -3.62 -0.78 5.02 -1.26 -4.52 118.16 112.78 3nq9 n LYS 77 Ca -0.05 0.34 -0.37 0.00 -2.02 0.00 0.00 58.31 56.20 3nq9 n LYS 77 Cb 0.20 -1.75 -0.11 0.00 -0.02 0.00 0.00 35.03 33.35 3nq9 n LYS 77 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3nq9 s ILE 78 N -3.20 5.29 0.43 -0.18 1.01 -1.26 -4.99 121.20 118.30 3nq9 s ILE 78 Ca 0.06 0.16 0.17 0.00 0.00 0.00 0.00 60.65 61.04 3nq9 s ILE 78 Cb 0.10 -3.50 0.37 0.00 0.01 0.00 0.00 42.46 39.44 3nq9 s ILE 78 CO 0.39 0.29 1.89 -0.65 0.00 0.00 0.00 174.94 176.85 3nq9 h PRO 79 N 8.08 0.39 -0.13 2.79 0.11 -1.95 -2.88 132.00 138.40 3nq9 h PRO 79 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3nq9 h PRO 79 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3nq9 h PRO 79 CO 0.59 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 3nq9 n ALA 80 N -2.53 2.53 -3.30 -0.75 0.00 -1.26 -4.90 120.51 110.31 3nq9 n ALA 80 Ca 0.17 -0.50 -0.25 0.00 0.00 0.00 0.00 53.44 52.86 3nq9 n ALA 80 Cb 0.62 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.79 3nq9 n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3nq9 s VAL 81 N -1.83 1.23 0.17 0.00 1.01 -1.09 -0.23 120.40 119.65 3nq9 s VAL 81 Ca 0.33 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.80 3nq9 s VAL 81 Cb 0.18 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3nq9 s VAL 81 CO 0.27 0.37 -0.07 -0.36 0.00 0.00 0.00 175.10 175.31 3nq9 s PHE 82 N 0.48 1.31 -0.09 5.22 0.40 0.84 -3.26 117.98 122.88 3nq9 s PHE 82 Ca -0.12 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.41 3nq9 s PHE 82 Cb -0.15 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.70 3nq9 s PHE 82 CO 0.04 0.03 -0.13 0.21 0.70 0.00 0.00 175.22 176.07 3nq9 s LYS 83 N -3.79 1.91 -0.19 0.44 2.20 0.54 -0.87 119.74 119.98 3nq9 s LYS 83 Ca 0.20 -0.45 -0.07 0.00 -0.36 0.00 0.00 55.97 55.29 3nq9 s LYS 83 Cb 0.04 -1.65 -0.04 0.00 -1.51 0.00 0.00 37.83 34.67 3nq9 s LYS 83 CO 0.02 -0.06 0.04 0.42 -0.36 0.00 0.00 175.35 175.42 3nq9 s ILE 84 N 0.96 4.49 -0.03 5.43 1.01 -0.66 0.43 121.20 132.83 3nq9 s ILE 84 Ca -0.08 -0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 3nq9 s ILE 84 Cb -0.15 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 3nq9 s ILE 84 CO -0.00 0.44 0.98 -0.62 0.00 0.00 0.00 174.94 175.74 3nq9 s ASP 85 N 0.63 7.32 0.07 3.58 2.15 -1.26 -3.67 116.67 125.49 3nq9 s ASP 85 Ca 0.02 1.61 -0.02 0.00 0.43 0.00 0.00 52.55 54.59 3nq9 s ASP 85 Cb -0.13 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.93 3nq9 s ASP 85 CO 0.02 -0.31 0.13 0.00 -0.17 0.00 0.00 175.17 174.84 3nq9 n ALA 86 N 4.24 -0.26 0.00 3.66 0.00 -1.26 -4.99 120.51 121.90 3nq9 n ALA 86 Ca 0.07 -0.25 0.20 0.00 0.00 0.00 0.00 53.44 53.46 3nq9 n ALA 86 Cb 0.50 0.20 0.70 0.00 0.00 0.00 0.00 19.45 20.85 3nq9 n ALA 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3nq9 h LEU 87 N 0.00 0.00 -9.03 0.00 5.85 -2.06 -3.41 115.31 106.66 3nq9 h LEU 87 Ca -0.06 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.00 3nq9 h LEU 87 Cb 0.22 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 41.06 3nq9 h LEU 87 CO 0.08 0.00 -0.83 0.20 -0.34 0.00 0.00 178.44 177.55 3nq9 s ASN 88 N -6.16 3.47 -0.40 1.25 0.01 -1.26 -5.11 114.94 106.75 3nq9 s ASN 88 Ca -0.05 -0.82 -0.21 0.00 -0.71 0.00 0.00 52.86 51.07 3nq9 s ASN 88 Cb 0.19 -0.28 0.01 0.00 0.41 0.00 0.00 41.25 41.59 3nq9 s ASN 88 CO 0.72 0.13 0.68 -0.70 -1.51 0.00 0.00 177.10 176.43 3nq9 s GLU 89 N -2.53 3.53 -0.05 -0.60 2.12 -1.26 -4.82 118.70 115.08 3nq9 s GLU 89 Ca 0.19 -0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.50 3nq9 s GLU 89 Cb -0.08 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.44 3nq9 s GLU 89 CO 0.09 -0.89 -0.14 -0.80 -0.54 0.00 0.00 175.26 172.98 3nq9 s ASN 90 N 1.92 1.87 -0.02 -1.70 0.01 -1.24 -3.53 114.94 112.25 3nq9 s ASN 90 Ca 0.26 -0.31 0.02 0.00 -0.71 0.00 0.00 52.86 52.12 3nq9 s ASN 90 Cb -0.14 -0.64 -0.03 0.00 0.41 0.00 0.00 41.25 40.84 3nq9 s ASN 90 CO 0.18 0.10 -0.04 -0.54 -1.51 0.00 0.00 177.10 175.28 3nq9 s LYS 91 N 0.29 2.69 -0.20 -0.60 1.02 -0.42 -1.65 119.74 120.87 3nq9 s LYS 91 Ca -0.08 -0.63 -0.07 0.00 0.02 0.00 0.00 55.97 55.21 3nq9 s LYS 91 Cb -0.13 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 3nq9 s LYS 91 CO 0.03 0.63 0.06 0.08 -0.92 0.00 0.00 175.35 175.23 3nq9 s VAL 92 N -0.98 4.64 -0.10 3.17 1.01 -0.05 -1.45 120.40 126.65 3nq9 s VAL 92 Ca 0.17 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.10 3nq9 s VAL 92 Cb -0.11 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 3nq9 s VAL 92 CO 0.07 0.43 -0.22 -0.76 0.00 0.00 0.00 175.10 174.61 3nq9 s LEU 93 N 0.70 2.18 -0.26 3.92 1.02 -0.34 -0.11 118.68 125.78 3nq9 s LEU 93 Ca 0.03 -0.51 -0.19 0.00 0.02 0.00 0.00 54.13 53.48 3nq9 s LEU 93 Cb -0.13 -1.43 -0.02 0.00 0.02 0.00 0.00 46.19 44.62 3nq9 s LEU 93 CO 0.02 0.18 0.57 -0.69 0.02 0.00 0.00 176.35 176.45 3nq9 s VAL 94 N 0.25 5.02 -0.10 -1.59 1.01 0.68 -1.27 120.40 124.40 3nq9 s VAL 94 Ca -0.15 0.99 0.08 0.00 0.00 0.00 0.00 61.98 62.90 3nq9 s VAL 94 Cb -0.17 -3.89 -0.24 0.00 0.00 0.00 0.00 36.38 32.08 3nq9 s VAL 94 CO 0.08 0.04 0.44 0.18 0.00 0.00 0.00 175.10 175.83 3nq9 n LEU 95 N 5.64 1.29 -3.64 3.92 4.77 0.09 -1.64 117.00 127.44 3nq9 n LEU 95 Ca -0.02 0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 56.17 3nq9 n LEU 95 Cb 0.49 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 3nq9 n LEU 95 CO 0.42 0.55 1.04 -0.62 -1.33 0.00 0.00 177.39 177.45 3nq9 s ASP 96 N -6.25 -0.15 -0.05 -1.43 2.15 -1.21 -2.79 116.67 106.94 3nq9 s ASP 96 Ca -0.12 0.25 -0.29 0.00 0.43 0.00 0.00 52.55 52.81 3nq9 s ASP 96 Cb 0.07 0.23 0.09 0.00 -0.30 0.00 0.00 42.92 43.02 3nq9 s ASP 96 CO 0.80 -0.09 0.78 0.28 -0.17 0.00 0.00 175.17 176.77 3nq9 s THR 97 N -0.40 0.00 -0.41 1.71 -1.32 -1.26 -0.12 115.64 113.84 3nq9 s THR 97 Ca 0.06 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.58 3nq9 s THR 97 Cb -0.03 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.06 3nq9 s THR 97 CO -0.10 0.00 1.01 -0.90 -2.21 0.00 0.00 174.62 172.43 3nq9 n ASP 98 N 0.56 2.18 0.00 8.08 5.68 -1.00 -5.02 116.55 127.02 3nq9 n ASP 98 Ca -0.15 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 3nq9 n ASP 98 Cb 0.59 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3nq9 n ASP 98 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3nq9 n TYR 99 N -0.02 0.00 0.39 2.11 4.01 -1.25 -4.48 117.16 117.92 3nq9 n TYR 99 Ca 0.04 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.89 3nq9 n TYR 99 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 3nq9 n TYR 99 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3nq9 n LYS 100 N 0.00 0.40 0.06 -0.72 4.76 -1.26 -4.79 118.16 116.61 3nq9 n LYS 100 Ca 0.00 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 3nq9 n LYS 100 Cb 0.00 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 3nq9 n LYS 100 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3nq9 n LYS 101 N -2.12 0.00 -4.10 1.97 5.02 -1.26 -4.76 118.16 112.91 3nq9 n LYS 101 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 3nq9 n LYS 101 Cb 0.48 -0.09 -0.11 0.00 -0.02 0.00 0.00 35.03 35.29 3nq9 n LYS 101 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3nq9 s TYR 102 N -2.00 0.71 -0.09 2.13 1.13 -1.26 -0.19 117.35 117.78 3nq9 s TYR 102 Ca 0.00 -0.69 -0.04 0.00 -1.41 0.00 0.00 57.07 54.92 3nq9 s TYR 102 Cb 0.00 -0.43 0.04 0.00 -1.10 0.00 0.00 41.96 40.47 3nq9 s TYR 102 CO 0.00 -0.14 0.20 -1.17 -2.51 0.00 0.00 175.55 171.94 3nq9 s LEU 103 N -2.20 0.59 -0.15 -3.49 0.20 0.59 -2.38 118.68 111.85 3nq9 s LEU 103 Ca -0.01 0.42 -0.04 0.00 0.69 0.00 0.00 54.13 55.19 3nq9 s LEU 103 Cb -0.03 0.58 -0.03 0.00 -0.43 0.00 0.00 46.19 46.28 3nq9 s LEU 103 CO -0.02 -0.15 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.11 3nq9 s LEU 104 N 1.15 3.41 0.04 -0.68 1.43 0.84 -0.48 118.68 124.38 3nq9 s LEU 104 Ca -0.09 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 3nq9 s LEU 104 Cb -0.10 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 3nq9 s LEU 104 CO -0.07 0.21 0.07 0.72 0.23 0.00 0.00 176.35 177.51 3nq9 s PHE 105 N 0.13 0.26 0.18 0.29 -0.12 -0.94 -0.73 117.98 117.05 3nq9 s PHE 105 Ca 0.00 -0.61 0.10 0.00 -0.05 0.00 0.00 56.93 56.37 3nq9 s PHE 105 Cb -0.13 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 3nq9 s PHE 105 CO 0.02 -0.36 -0.20 0.00 -0.05 0.00 0.00 175.22 174.63 3nq9 s MET 107 N -2.77 2.63 0.02 0.00 0.00 0.23 -1.20 119.30 118.21 3nq9 s MET 107 Ca 0.18 -0.72 0.03 0.00 0.00 0.00 0.00 55.69 55.17 3nq9 s MET 107 Cb -0.06 -2.09 -0.01 0.00 0.00 0.00 0.00 34.83 32.66 3nq9 s MET 107 CO 0.08 0.05 -0.09 -1.83 0.00 0.00 0.00 175.02 173.23 3nq9 s GLU 108 N 0.66 0.61 0.94 4.11 -1.05 -0.53 -1.22 118.70 122.23 3nq9 s GLU 108 Ca -0.12 -0.52 -0.15 0.00 -0.15 0.00 0.00 54.97 54.03 3nq9 s GLU 108 Cb -0.16 -0.53 0.19 0.00 -0.44 0.00 0.00 34.13 33.19 3nq9 s GLU 108 CO 0.03 0.13 1.30 0.54 0.95 0.00 0.00 175.26 178.21 3nq9 s ASN 109 N -0.84 3.22 -0.07 0.83 2.20 -0.64 -1.30 114.94 118.35 3nq9 s ASN 109 Ca -0.02 0.21 -0.05 0.00 -0.94 0.00 0.00 52.86 52.06 3nq9 s ASN 109 Cb -0.06 -0.28 -0.27 0.00 -2.00 0.00 0.00 41.25 38.63 3nq9 s ASN 109 CO 0.00 -2.66 0.58 0.28 -2.94 0.00 0.00 177.10 172.36 3nq9 h SER 110 N -1.55 0.43 0.00 3.54 0.02 -1.90 -3.44 113.55 110.64 3nq9 h SER 110 Ca -0.44 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 59.74 3nq9 h SER 110 Cb 1.24 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3nq9 h SER 110 CO 0.38 1.67 0.00 0.00 -1.14 0.00 0.00 176.83 177.74 3nq9 n ALA 111 N -2.85 0.09 0.00 3.77 0.00 -1.26 -4.42 120.51 115.84 3nq9 n ALA 111 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3nq9 n ALA 111 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.51 3nq9 n ALA 111 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3nq9 n GLU 112 N 0.00 0.26 -2.04 0.00 0.00 -1.26 -2.65 120.64 114.95 3nq9 n GLU 112 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.73 3nq9 n GLU 112 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 31.44 31.35 3nq9 n GLU 112 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3nq9 s PRO 113 N -0.68 3.59 0.22 5.31 0.04 -1.26 -5.07 135.00 137.15 3nq9 s PRO 113 Ca 0.00 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3nq9 s PRO 113 Cb 0.00 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.42 3nq9 s PRO 113 CO 0.00 -1.55 0.00 0.39 0.04 0.00 0.00 177.00 175.88 3nq9 n GLU 114 N 8.02 -4.12 -1.71 4.56 -0.58 -1.09 -4.97 120.64 120.76 3nq9 n GLU 114 Ca 0.21 3.01 -0.37 0.00 -0.42 0.00 0.00 57.16 59.59 3nq9 n GLU 114 Cb 0.46 -3.19 0.07 0.00 -0.57 0.00 0.00 31.44 28.20 3nq9 n GLU 114 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3nq9 n GLN 115 N 0.92 1.07 -4.21 3.49 6.02 -1.24 -4.89 117.38 118.53 3nq9 n GLN 115 Ca 0.00 0.42 -0.27 0.00 -0.01 0.00 0.00 57.00 57.14 3nq9 n GLN 115 Cb 0.00 -2.48 -0.08 0.00 1.02 0.00 0.00 30.24 28.70 3nq9 n GLN 115 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3nq9 s SER 116 N -1.37 4.73 -0.24 1.08 1.04 -1.26 -5.00 113.70 112.68 3nq9 s SER 116 Ca 0.82 -0.39 -0.22 0.00 0.48 0.00 0.00 55.95 56.64 3nq9 s SER 116 Cb -0.38 -1.00 0.06 0.00 0.10 0.00 0.00 66.02 64.80 3nq9 s SER 116 CO 0.41 0.10 0.64 -0.22 0.98 0.00 0.00 173.24 175.15 3nq9 s LEU 117 N -2.85 -0.45 0.02 2.42 2.96 -1.26 -1.62 118.68 117.91 3nq9 s LEU 117 Ca 0.27 1.29 0.03 0.00 -0.22 0.00 0.00 54.13 55.49 3nq9 s LEU 117 Cb -0.10 2.19 -0.01 0.00 0.50 0.00 0.00 46.19 48.77 3nq9 s LEU 117 CO 0.18 -0.22 -0.09 0.00 -1.32 0.00 0.00 176.35 174.90 3nq9 s ALA 118 N 0.38 0.76 0.09 5.97 0.00 -0.36 -0.70 121.76 127.89 3nq9 s ALA 118 Ca -0.00 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.44 3nq9 s ALA 118 Cb -0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 3nq9 s ALA 118 CO 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 175.76 175.76 3nq9 s GLN 120 N -2.08 0.88 -0.36 0.00 -0.21 0.35 -0.81 119.66 117.42 3nq9 s GLN 120 Ca 0.01 -1.18 -0.08 0.00 0.02 0.00 0.00 55.36 54.13 3nq9 s GLN 120 Cb -0.08 -0.57 0.04 0.00 1.00 0.00 0.00 33.01 33.40 3nq9 s GLN 120 CO 0.02 0.09 0.15 0.00 -2.12 0.00 0.00 175.29 173.43 3nq9 s LEU 122 N 1.43 4.33 0.14 0.00 1.43 0.37 -1.47 118.68 124.91 3nq9 s LEU 122 Ca -0.00 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 3nq9 s LEU 122 Cb -0.20 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 3nq9 s LEU 122 CO 0.03 0.33 -0.11 0.68 0.23 0.00 0.00 176.35 177.51 3nq9 s VAL 123 N -0.54 1.20 -0.00 -1.59 -7.23 -0.26 -0.30 120.40 111.68 3nq9 s VAL 123 Ca 0.13 -1.98 0.23 0.00 -1.81 0.00 0.00 61.98 58.54 3nq9 s VAL 123 Cb -0.12 -1.77 0.23 0.00 0.56 0.00 0.00 36.38 35.28 3nq9 s VAL 123 CO 0.02 -0.68 1.73 0.03 -0.31 0.00 0.00 175.10 175.90 3nq9 h ARG 124 N 2.94 0.00 -4.58 4.82 2.47 -0.84 0.17 114.38 119.36 3nq9 h ARG 124 Ca -0.37 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.14 3nq9 h ARG 124 Cb 1.19 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.36 3nq9 h ARG 124 CO 0.61 0.23 -0.70 0.95 0.56 0.00 0.00 179.97 181.62 3nq9 s THR 125 N -3.45 0.61 -1.54 2.04 -4.23 -1.26 -4.65 115.64 103.16 3nq9 s THR 125 Ca 0.02 -1.85 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 3nq9 s THR 125 Cb 0.09 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.34 3nq9 s THR 125 CO 0.65 -0.85 2.57 -0.81 -0.54 0.00 0.00 174.62 175.64 3nq9 n PRO 126 N 0.10 3.28 -3.99 3.99 -0.04 -1.26 -4.82 135.00 132.26 3nq9 n PRO 126 Ca -0.13 -2.44 -0.11 0.00 -0.04 0.00 0.00 63.50 60.78 3nq9 n PRO 126 Cb 0.60 -3.05 -0.12 0.00 -0.04 0.00 0.00 33.50 30.89 3nq9 n PRO 126 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3nq9 s GLU 127 N 2.63 0.28 -0.52 0.54 2.02 -1.26 -4.60 118.70 117.79 3nq9 s GLU 127 Ca 0.58 -0.42 -0.28 0.00 0.02 0.00 0.00 54.97 54.87 3nq9 s GLU 127 Cb 0.16 -0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.33 3nq9 s GLU 127 CO -0.07 0.00 1.49 0.08 0.02 0.00 0.00 175.26 176.78 3nq9 s VAL 128 N -0.88 3.74 -0.51 2.63 1.01 -1.26 -4.98 120.40 120.15 3nq9 s VAL 128 Ca -0.08 0.66 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 3nq9 s VAL 128 Cb -0.06 -4.28 0.06 0.00 0.00 0.00 0.00 36.38 32.10 3nq9 s VAL 128 CO -0.00 -1.00 0.62 -0.62 0.00 0.00 0.00 175.10 174.10 3nq9 s ASP 129 N 4.80 6.21 0.39 3.32 -1.08 -1.26 -4.93 116.67 124.13 3nq9 s ASP 129 Ca 0.58 -1.01 0.15 0.00 -0.52 0.00 0.00 52.55 51.75 3nq9 s ASP 129 Cb -0.12 -2.28 0.82 0.00 -1.46 0.00 0.00 42.92 39.87 3nq9 s ASP 129 CO 0.27 -0.90 1.85 0.44 0.52 0.00 0.00 175.17 177.35 3nq9 h ASP 130 N 9.00 0.00 0.24 -0.34 3.32 -1.99 -1.87 116.42 124.78 3nq9 h ASP 130 Ca -0.28 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.52 3nq9 h ASP 130 Cb 1.10 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.66 3nq9 h ASP 130 CO 0.97 0.33 -1.06 -0.33 -1.72 0.00 0.00 179.24 177.44 3nq9 h GLU 131 N 0.00 0.52 -0.26 3.56 3.07 -1.99 -1.23 114.58 118.24 3nq9 h GLU 131 Ca -0.00 -0.61 0.00 0.00 -0.50 0.00 0.00 59.36 58.25 3nq9 h GLU 131 Cb 0.63 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 3nq9 h GLU 131 CO 0.04 1.23 0.17 0.00 -1.40 0.00 0.00 179.01 179.06 3nq9 h ALA 132 N 0.55 0.33 -0.75 3.43 0.00 -1.96 -2.32 119.26 118.54 3nq9 h ALA 132 Ca -0.12 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3nq9 h ALA 132 Cb 1.72 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 3nq9 h ALA 132 CO 0.19 -0.19 0.49 -0.07 0.00 0.00 0.00 179.25 179.67 3nq9 h LEU 133 N 0.35 0.86 -0.44 0.00 3.38 -1.25 0.62 115.31 118.84 3nq9 h LEU 133 Ca 0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3nq9 h LEU 133 Cb -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3nq9 h LEU 133 CO -0.02 0.63 0.16 -0.33 0.09 0.00 0.00 178.44 178.97 3nq9 h GLU 134 N 1.01 0.67 -0.53 1.13 5.08 -1.15 0.11 114.58 120.91 3nq9 h GLU 134 Ca 0.27 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 3nq9 h GLU 134 Cb -0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 3nq9 h GLU 134 CO -0.06 0.63 -0.11 0.87 -1.00 0.00 0.00 179.01 179.34 3nq9 h LYS 135 N 0.57 1.01 -0.21 2.33 1.57 -0.89 -1.30 116.57 119.64 3nq9 h LYS 135 Ca 0.15 -0.38 0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3nq9 h LYS 135 Cb 0.22 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3nq9 h LYS 135 CO -0.01 1.06 -0.05 0.35 -0.57 0.00 0.00 179.45 180.23 3nq9 h PHE 136 N 0.88 -0.10 -0.30 -1.35 3.57 -0.79 -2.19 116.94 116.66 3nq9 h PHE 136 Ca 0.14 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 3nq9 h PHE 136 Cb 0.67 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 3nq9 h PHE 136 CO 0.05 -0.08 0.02 -0.44 -2.23 0.00 0.00 178.31 175.62 3nq9 h ASP 137 N 0.01 0.41 -0.28 0.41 3.32 -0.73 -1.64 116.42 117.92 3nq9 h ASP 137 Ca 0.10 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3nq9 h ASP 137 Cb 0.15 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3nq9 h ASP 137 CO -0.21 0.46 0.02 0.11 -1.72 0.00 0.00 179.24 177.90 3nq9 h LYS 138 N 0.43 0.48 -0.51 3.56 1.79 -1.09 -2.15 116.57 119.09 3nq9 h LYS 138 Ca 0.10 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.43 3nq9 h LYS 138 Cb 0.26 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 3nq9 h LYS 138 CO 0.00 0.62 0.34 0.00 -1.08 0.00 0.00 179.45 179.34 3nq9 h ALA 139 N 0.84 1.64 0.00 3.86 0.00 -1.01 -2.85 119.26 121.73 3nq9 h ALA 139 Ca 0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3nq9 h ALA 139 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3nq9 h ALA 139 CO 0.01 0.34 -0.39 -0.07 0.00 0.00 0.00 179.25 179.14 3nq9 h LEU 140 N 0.69 0.00 -1.21 0.00 4.07 -1.05 -3.17 115.31 114.65 3nq9 h LEU 140 Ca 0.19 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.27 3nq9 h LEU 140 Cb -0.08 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.59 3nq9 h LEU 140 CO -0.04 0.39 0.58 0.50 -1.08 0.00 0.00 178.44 178.79 3nq9 h LYS 141 N 0.00 0.78 0.00 1.13 3.64 -1.14 0.33 116.57 121.30 3nq9 h LYS 141 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3nq9 h LYS 141 Cb 1.30 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3nq9 h LYS 141 CO 0.05 0.52 0.00 0.00 -2.27 0.00 0.00 179.45 177.75 3nq9 n ALA 142 N -2.41 2.26 -2.46 5.00 0.00 -1.20 -4.87 120.51 116.84 3nq9 n ALA 142 Ca 0.17 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 3nq9 n ALA 142 Cb 0.40 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 3nq9 n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3nq9 s LEU 143 N -1.92 2.18 -1.61 0.00 1.43 0.10 -5.01 118.68 113.85 3nq9 s LEU 143 Ca 0.29 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 3nq9 s LEU 143 Cb 0.13 -1.03 -0.08 0.00 0.03 0.00 0.00 46.19 45.25 3nq9 s LEU 143 CO 0.22 0.17 2.92 -0.81 0.23 0.00 0.00 176.35 179.08 3nq9 n PRO 144 N 1.77 3.70 -2.83 1.29 -0.04 -1.26 -4.98 135.00 132.65 3nq9 n PRO 144 Ca -0.17 -2.26 -0.39 0.00 -0.04 0.00 0.00 63.50 60.64 3nq9 n PRO 144 Cb 0.53 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.11 3nq9 n PRO 144 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3nq9 s MET 145 N 2.11 4.68 0.00 0.54 -1.94 -1.26 -4.33 119.30 119.10 3nq9 s MET 145 Ca 0.69 1.33 0.00 0.00 -1.71 0.00 0.00 55.69 56.00 3nq9 s MET 145 Cb 0.18 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.91 3nq9 s MET 145 CO -0.06 0.45 0.25 0.72 -0.01 0.00 0.00 175.02 176.37 3nq9 n HIS 146 N 1.18 0.00 -3.83 -0.03 8.25 0.39 -4.93 115.22 116.26 3nq9 n HIS 146 Ca -0.02 -0.01 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 3nq9 n HIS 146 Cb 0.49 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.46 3nq9 n HIS 146 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3nq9 s ILE 147 N -0.03 -0.01 -0.03 1.59 2.07 -1.03 -4.71 121.20 119.06 3nq9 s ILE 147 Ca 0.00 0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.28 3nq9 s ILE 147 Cb 0.00 -0.14 0.02 0.00 0.13 0.00 0.00 42.46 42.47 3nq9 s ILE 147 CO 0.00 0.01 -0.03 -0.60 -1.91 0.00 0.00 174.94 172.41 3nq9 s ARG 148 N 0.22 0.54 0.08 3.50 3.52 -1.26 -1.08 118.95 124.46 3nq9 s ARG 148 Ca -0.01 -0.07 0.08 0.00 -0.13 0.00 0.00 55.73 55.60 3nq9 s ARG 148 Cb -0.02 -0.60 -0.03 0.00 -1.56 0.00 0.00 34.95 32.74 3nq9 s ARG 148 CO -0.01 -0.04 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.71 3nq9 s LEU 149 N 0.64 2.25 0.00 -0.88 1.43 0.08 -5.00 118.68 117.19 3nq9 s LEU 149 Ca -0.07 -0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 52.33 3nq9 s LEU 149 Cb -0.11 -0.99 -0.00 0.00 0.03 0.00 0.00 46.19 45.12 3nq9 s LEU 149 CO -0.00 0.12 0.12 -0.94 0.23 0.00 0.00 176.35 175.88 3nq9 s SER 150 N -1.62 0.04 0.08 2.29 1.04 -1.26 -1.68 113.70 112.60 3nq9 s SER 150 Ca 0.08 -0.22 0.08 0.00 0.48 0.00 0.00 55.95 56.37 3nq9 s SER 150 Cb -0.10 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 3nq9 s SER 150 CO 0.03 -0.34 -0.16 -0.36 0.98 0.00 0.00 173.24 173.39 3nq9 s PHE 151 N -1.31 2.61 0.43 5.02 0.08 -0.18 -5.00 117.98 119.63 3nq9 s PHE 151 Ca -0.14 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 56.73 3nq9 s PHE 151 Cb -0.08 -1.42 0.01 0.00 -0.57 0.00 0.00 43.02 40.96 3nq9 s PHE 151 CO 0.01 0.35 0.61 0.54 -0.10 0.00 0.00 175.22 176.63 3nq9 s ASN 152 N -1.88 5.70 0.51 1.36 2.20 -1.26 -4.91 114.94 116.66 3nq9 s ASN 152 Ca 0.18 -0.12 0.18 0.00 -0.94 0.00 0.00 52.86 52.15 3nq9 s ASN 152 Cb -0.11 -1.05 1.27 0.00 -2.00 0.00 0.00 41.25 39.36 3nq9 s ASN 152 CO 0.09 -0.74 2.09 -0.65 -2.94 0.00 0.00 177.10 174.96 3nq9 h PRO 153 N 0.54 0.05 0.23 3.55 0.11 -1.95 -1.90 132.00 132.63 3nq9 h PRO 153 Ca -0.43 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3nq9 h PRO 153 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3nq9 h PRO 153 CO 0.51 0.03 -0.11 1.15 -0.21 0.00 0.00 178.00 179.38 3nq9 h THR 154 N 0.05 0.83 -0.74 -1.15 2.02 -1.94 -2.57 112.91 109.41 3nq9 h THR 154 Ca 0.09 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 3nq9 h THR 154 Cb 0.30 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3nq9 h THR 154 CO -0.01 0.09 0.46 1.56 0.37 0.00 0.00 175.52 177.99 3nq9 h GLN 155 N -0.51 1.00 0.00 6.66 4.20 -1.74 -2.52 115.11 122.21 3nq9 h GLN 155 Ca -0.03 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3nq9 h GLN 155 Cb 0.38 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 3nq9 h GLN 155 CO 0.05 0.69 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.75 3nq9 h LEU 156 N 1.02 0.00 -0.42 1.46 3.38 -1.16 -1.02 115.31 118.57 3nq9 h LEU 156 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3nq9 h LEU 156 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3nq9 h LEU 156 CO -0.05 0.09 -0.13 -0.62 0.09 0.00 0.00 178.44 177.82 3nq9 n GLU 157 N -3.64 0.92 -4.10 1.13 -0.58 -0.95 -4.91 120.64 108.49 3nq9 n GLU 157 Ca -0.02 -0.42 -0.23 0.00 -0.42 0.00 0.00 57.16 56.07 3nq9 n GLU 157 Cb 0.20 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.54 3nq9 n GLU 157 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3nq9 s GLU 158 N -2.37 2.93 0.12 3.49 -6.30 -0.39 -5.06 118.70 111.12 3nq9 s GLU 158 Ca 0.30 -0.99 -0.31 0.00 -2.50 0.00 0.00 54.97 51.47 3nq9 s GLU 158 Cb 0.20 -2.60 -0.09 0.00 0.00 0.00 0.00 34.13 31.64 3nq9 s GLU 158 CO 0.46 0.43 1.62 -0.65 0.02 0.00 0.00 175.26 177.13 3nq9 s GLN 159 N -3.63 4.21 -2.09 4.30 -1.52 -1.26 -1.96 119.66 117.71 3nq9 s GLN 159 Ca 0.32 2.35 0.00 0.00 -1.95 0.00 0.00 55.36 56.08 3nq9 s GLN 159 Cb -0.09 -3.39 0.00 0.00 -0.22 0.00 0.00 33.01 29.32 3nq9 s GLN 159 CO 0.25 -0.67 0.00 0.00 -0.25 0.00 0.00 175.29 174.61 3nq9 n HIS 161 N -2.76 -1.82 0.44 0.00 8.25 -0.83 -5.04 115.22 113.46 3nq9 n HIS 161 Ca -0.22 0.47 0.04 0.00 -0.26 0.00 0.00 57.72 57.75 3nq9 n HIS 161 Cb 0.68 -4.33 0.21 0.00 1.12 0.00 0.00 29.99 27.67 3nq9 n HIS 161 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09