#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqb s GLN 3 N 0.00 0.22 -0.26 1.45 0.74 -0.62 -5.00 119.66 116.20 1nqb s GLN 3 Ca 0.00 0.23 0.02 0.00 0.05 0.00 0.00 55.36 55.66 1nqb s GLN 3 Cb 0.00 0.11 0.06 0.00 1.10 0.00 0.00 33.01 34.28 1nqb s GLN 3 CO 0.00 -0.03 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.12 1nqb s LEU 4 N 0.04 3.26 -0.24 3.68 1.43 -1.26 -1.55 118.68 124.04 1nqb s LEU 4 Ca -0.01 -1.39 -0.09 0.00 -1.03 0.00 0.00 54.13 51.61 1nqb s LEU 4 Cb -0.02 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1nqb s LEU 4 CO 0.00 -0.22 0.12 -1.10 0.23 0.00 0.00 176.35 175.38 1nqb s GLN 5 N 1.19 3.88 0.18 1.70 -0.21 0.07 -3.93 119.66 122.53 1nqb s GLN 5 Ca -0.06 -0.37 0.04 0.00 0.02 0.00 0.00 55.36 54.98 1nqb s GLN 5 Cb -0.20 -3.43 -0.03 0.00 1.00 0.00 0.00 33.01 30.35 1nqb s GLN 5 CO -0.06 -0.04 0.29 -0.65 -2.12 0.00 0.00 175.29 172.71 1nqb s GLN 6 N 1.28 3.37 0.90 2.91 -0.21 -1.26 -0.94 119.66 125.71 1nqb s GLN 6 Ca 0.06 -0.68 -0.11 0.00 0.02 0.00 0.00 55.36 54.64 1nqb s GLN 6 Cb -0.14 -2.90 0.13 0.00 1.00 0.00 0.00 33.01 31.10 1nqb s GLN 6 CO 0.05 0.49 1.09 -1.54 -2.12 0.00 0.00 175.29 173.26 1nqb s SER 7 N -3.46 3.41 0.96 5.90 1.04 -1.05 -4.99 113.70 115.51 1nqb s SER 7 Ca 0.34 1.52 -0.12 0.00 0.48 0.00 0.00 55.95 58.17 1nqb s SER 7 Cb -0.10 -2.20 0.16 0.00 0.10 0.00 0.00 66.02 63.98 1nqb s SER 7 CO 0.28 -2.68 1.10 -0.83 0.98 0.00 0.00 173.24 172.08 1nqb s GLY 8 N -3.37 1.58 0.49 7.32 0.00 -1.26 -4.64 107.32 107.45 1nqb s GLY 8 Ca 0.64 -0.27 -0.22 0.00 0.00 0.00 0.00 44.72 44.86 1nqb s GLY 8 CO 0.57 0.29 1.00 0.00 0.00 0.00 0.00 173.10 174.96 1nqb n ALA 9 N -4.04 0.26 -2.63 3.20 0.00 -1.26 -4.80 120.51 111.24 1nqb n ALA 9 Ca 0.06 0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1nqb n ALA 9 Cb 0.57 -2.10 -0.16 0.00 0.00 0.00 0.00 19.45 17.75 1nqb n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nqb s GLU 10 N -2.31 2.10 -0.21 0.00 0.41 -0.51 -5.01 118.70 113.17 1nqb s GLU 10 Ca 0.68 -0.81 0.01 0.00 -0.41 0.00 0.00 54.97 54.43 1nqb s GLU 10 Cb -0.49 -1.88 0.05 0.00 -1.78 0.00 0.00 34.13 30.02 1nqb s GLU 10 CO 0.53 0.40 -0.07 -0.51 -0.49 0.00 0.00 175.26 175.12 1nqb s LEU 11 N -0.27 2.27 0.24 1.80 1.43 -1.26 -1.40 118.68 121.49 1nqb s LEU 11 Ca 0.01 -0.97 0.01 0.00 -1.03 0.00 0.00 54.13 52.15 1nqb s LEU 11 Cb -0.11 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1nqb s LEU 11 CO 0.01 -0.19 0.10 0.68 0.23 0.00 0.00 176.35 177.19 1nqb s VAL 12 N 1.44 0.41 0.26 -1.59 -7.23 -0.58 -5.02 120.40 108.09 1nqb s VAL 12 Ca -0.03 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.21 1nqb s VAL 12 Cb -0.17 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1nqb s VAL 12 CO -0.07 -0.01 0.24 -0.54 -0.31 0.00 0.00 175.10 174.41 1nqb s LYS 13 N -4.07 3.00 0.39 4.82 1.02 -1.26 -0.58 119.74 123.06 1nqb s LYS 13 Ca 0.38 -1.02 -0.26 0.00 0.02 0.00 0.00 55.97 55.09 1nqb s LYS 13 Cb 0.08 -2.62 -0.11 0.00 -0.52 0.00 0.00 37.83 34.66 1nqb s LYS 13 CO 0.13 0.38 1.12 -2.30 -0.92 0.00 0.00 175.35 173.76 1nqb n PRO 14 N -1.24 1.62 0.00 -1.68 -0.02 -1.26 -2.37 135.00 130.05 1nqb n PRO 14 Ca -0.07 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1nqb n PRO 14 Cb 0.58 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1nqb n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqb n GLY 15 N 1.03 2.37 3.75 -1.23 0.00 0.78 -4.95 105.19 106.94 1nqb n GLY 15 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1nqb n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqb s ALA 16 N -2.35 1.55 0.16 4.61 0.00 -1.00 -4.14 121.76 120.59 1nqb s ALA 16 Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.65 1nqb s ALA 16 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1nqb s ALA 16 CO 0.00 -2.40 -0.18 -1.12 0.00 0.00 0.00 175.76 172.06 1nqb s SER 17 N -3.77 2.62 -0.06 0.00 0.01 -1.26 -1.75 113.70 109.48 1nqb s SER 17 Ca 0.64 -0.85 -0.15 0.00 1.31 0.00 0.00 55.95 56.90 1nqb s SER 17 Cb -0.16 -0.15 0.03 0.00 0.21 0.00 0.00 66.02 65.95 1nqb s SER 17 CO 0.55 -0.04 0.35 0.54 0.41 0.00 0.00 173.24 175.05 1nqb s VAL 18 N -2.00 0.03 -0.21 3.43 0.11 -0.53 -5.01 120.40 116.22 1nqb s VAL 18 Ca 0.15 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 1nqb s VAL 18 Cb -0.06 -0.59 0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1nqb s VAL 18 CO 0.06 -0.15 -0.14 -0.75 -3.33 0.00 0.00 175.10 170.79 1nqb s LYS 19 N -0.75 2.87 0.10 1.54 2.20 -1.26 -0.80 119.74 123.64 1nqb s LYS 19 Ca -0.08 -0.93 -0.00 0.00 -0.36 0.00 0.00 55.97 54.60 1nqb s LYS 19 Cb -0.04 -2.75 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 1nqb s LYS 19 CO 0.03 -0.31 0.26 -0.51 -0.36 0.00 0.00 175.35 174.46 1nqb s LEU 20 N 1.28 4.33 0.16 5.43 1.43 -0.12 -4.94 118.68 126.25 1nqb s LEU 20 Ca 0.02 0.31 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1nqb s LEU 20 Cb -0.15 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 1nqb s LEU 20 CO -0.09 0.12 -0.16 -0.94 0.23 0.00 0.00 176.35 175.51 1nqb s SER 21 N -2.68 2.41 -0.26 2.29 1.04 -1.26 -1.34 113.70 113.90 1nqb s SER 21 Ca 0.36 -0.89 -0.03 0.00 0.48 0.00 0.00 55.95 55.87 1nqb s SER 21 Cb -0.12 -0.12 0.11 0.00 0.10 0.00 0.00 66.02 65.99 1nqb s SER 21 CO 0.28 -0.11 0.21 0.00 0.98 0.00 0.00 173.24 174.59 1nqb s LYS 23 N 2.25 4.25 0.02 0.00 2.20 -0.12 -0.77 119.74 127.58 1nqb s LYS 23 Ca 0.08 0.48 0.01 0.00 -0.36 0.00 0.00 55.97 56.19 1nqb s LYS 23 Cb -0.15 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1nqb s LYS 23 CO -0.28 0.30 0.04 0.00 -0.36 0.00 0.00 175.35 175.06 1nqb s ALA 24 N 0.13 3.44 0.08 3.13 0.00 -0.51 -0.75 121.76 127.28 1nqb s ALA 24 Ca 0.26 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 1nqb s ALA 24 Cb -0.16 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.56 1nqb s ALA 24 CO 0.12 0.69 0.37 -1.54 0.00 0.00 0.00 175.76 175.39 1nqb s SER 25 N -1.84 -0.20 0.00 0.00 1.04 -0.60 -4.87 113.70 107.24 1nqb s SER 25 Ca 0.23 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1nqb s SER 25 Cb -0.12 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1nqb s SER 25 CO 0.14 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1nqb n GLY 26 N 0.17 0.73 3.83 7.32 0.00 -1.26 -1.59 105.19 114.39 1nqb n GLY 26 Ca -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1nqb n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nqb s TYR 27 N -2.67 -0.09 -0.64 1.61 1.13 -1.26 -4.96 117.35 110.47 1nqb s TYR 27 Ca 0.00 -0.40 -0.26 0.00 -1.41 0.00 0.00 57.07 54.99 1nqb s TYR 27 Cb 0.00 0.73 0.04 0.00 -1.10 0.00 0.00 41.96 41.63 1nqb s TYR 27 CO 0.00 -1.26 1.15 0.99 -2.51 0.00 0.00 175.55 173.92 1nqb s THR 28 N -3.36 4.02 0.29 -3.49 2.01 -1.26 -4.92 115.64 108.93 1nqb s THR 28 Ca 0.13 0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.63 1nqb s THR 28 Cb -0.05 -4.75 0.35 0.00 0.01 0.00 0.00 72.50 68.06 1nqb s THR 28 CO 0.07 -1.48 1.61 0.15 -0.69 0.00 0.00 174.62 174.28 1nqb h PHE 29 N 9.66 0.15 0.00 4.92 3.57 -1.94 0.20 116.94 133.50 1nqb h PHE 29 Ca -0.27 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1nqb h PHE 29 Cb 1.06 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1nqb h PHE 29 CO 1.04 -0.32 0.00 0.25 -2.23 0.00 0.00 178.31 177.04 1nqb n THR 30 N -5.36 0.58 1.36 4.41 -2.24 -1.26 -3.44 114.28 108.33 1nqb n THR 30 Ca 0.22 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 62.28 1nqb n THR 30 Cb 0.72 -0.81 0.45 0.00 -2.10 0.00 0.00 70.33 68.58 1nqb n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1nqb n SER 31 N -1.43 1.26 -4.05 3.42 7.64 0.06 -3.89 113.62 116.63 1nqb n SER 31 Ca 0.06 -1.18 -0.12 0.00 1.01 0.00 0.00 58.87 58.63 1nqb n SER 31 Cb 0.20 0.07 -0.11 0.00 -1.01 0.00 0.00 64.21 63.36 1nqb n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1nqb s TYR 32 N -2.26 0.62 0.52 1.43 1.51 -1.22 -4.77 117.35 113.19 1nqb s TYR 32 Ca 0.31 -0.51 -0.07 0.00 -1.01 0.00 0.00 57.07 55.79 1nqb s TYR 32 Cb 0.20 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.64 1nqb s TYR 32 CO 0.43 -0.10 0.86 -1.58 -1.11 0.00 0.00 175.55 174.05 1nqb s TRP 33 N -1.44 3.58 -0.06 2.71 0.52 -1.25 -4.36 118.94 118.64 1nqb s TRP 33 Ca -0.10 0.95 0.04 0.00 0.02 0.00 0.00 56.10 57.00 1nqb s TRP 33 Cb -0.10 -2.42 0.00 0.00 -1.15 0.00 0.00 33.47 29.80 1nqb s TRP 33 CO 0.00 -0.40 -0.18 1.41 0.02 0.00 0.00 176.95 177.80 1nqb s MET 34 N -4.87 2.12 0.27 4.98 1.75 -0.65 -0.82 119.30 122.09 1nqb s MET 34 Ca 0.50 -0.64 0.10 0.00 -1.25 0.00 0.00 55.69 54.39 1nqb s MET 34 Cb -0.10 -1.74 -0.04 0.00 2.84 0.00 0.00 34.83 35.78 1nqb s MET 34 CO 0.48 0.18 -0.04 -1.01 -0.65 0.00 0.00 175.02 173.97 1nqb s HIS 35 N 0.28 2.63 -0.05 4.11 3.76 0.09 -1.57 115.29 124.53 1nqb s HIS 35 Ca -0.11 -0.24 0.04 0.00 -0.15 0.00 0.00 55.06 54.61 1nqb s HIS 35 Cb -0.14 -1.16 -0.00 0.00 1.11 0.00 0.00 32.58 32.38 1nqb s HIS 35 CO 0.04 0.64 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.82 1nqb s TRP 36 N -2.35 1.71 0.04 1.40 0.52 -0.99 -0.85 118.94 118.41 1nqb s TRP 36 Ca 0.31 -0.51 0.06 0.00 0.02 0.00 0.00 56.10 55.99 1nqb s TRP 36 Cb -0.06 -1.16 -0.02 0.00 -1.15 0.00 0.00 33.47 31.08 1nqb s TRP 36 CO 0.19 -0.18 -0.18 0.08 0.02 0.00 0.00 176.95 176.88 1nqb s VAL 37 N 0.10 1.47 -0.05 4.03 1.01 0.11 -1.55 120.40 125.52 1nqb s VAL 37 Ca -0.05 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.87 1nqb s VAL 37 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1nqb s VAL 37 CO 0.02 0.17 -0.11 -0.75 0.00 0.00 0.00 175.10 174.43 1nqb s LYS 38 N -1.07 2.57 -0.20 2.72 2.20 0.09 -0.81 119.74 125.24 1nqb s LYS 38 Ca 0.06 -0.66 -0.04 0.00 -0.36 0.00 0.00 55.97 54.97 1nqb s LYS 38 Cb -0.08 -2.45 0.07 0.00 -1.51 0.00 0.00 37.83 33.86 1nqb s LYS 38 CO 0.01 0.63 0.08 -1.14 -0.36 0.00 0.00 175.35 174.58 1nqb s GLN 39 N -0.82 0.28 0.53 4.03 0.74 -0.43 -0.76 119.66 123.21 1nqb s GLN 39 Ca 0.12 -0.29 -0.17 0.00 0.05 0.00 0.00 55.36 55.08 1nqb s GLN 39 Cb -0.11 -1.82 -0.07 0.00 1.10 0.00 0.00 33.01 32.12 1nqb s GLN 39 CO 0.01 -0.73 1.00 1.03 -0.55 0.00 0.00 175.29 176.06 1nqb s ARG 40 N 2.03 3.81 -0.54 1.67 0.52 -1.21 -1.25 118.95 123.97 1nqb s ARG 40 Ca 0.03 1.02 -0.32 0.00 -0.52 0.00 0.00 55.73 55.94 1nqb s ARG 40 Cb -0.16 -2.11 -0.13 0.00 0.52 0.00 0.00 34.95 33.06 1nqb s ARG 40 CO -0.14 -0.39 2.36 -2.30 0.02 0.00 0.00 175.30 174.85 1nqb n PRO 41 N -1.65 0.77 -2.54 3.54 -0.02 -1.26 -1.78 135.00 132.06 1nqb n PRO 41 Ca 0.07 0.14 -0.20 0.00 -2.02 0.00 0.00 63.50 61.49 1nqb n PRO 41 Cb 0.54 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1nqb n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqb n GLY 42 N 6.45 -0.50 0.02 -1.23 0.00 -1.26 -4.89 105.19 103.77 1nqb n GLY 42 Ca 0.47 0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.49 1nqb n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqb n ARG 43 N -3.20 2.56 0.00 1.61 1.74 -0.73 -5.15 116.66 113.49 1nqb n ARG 43 Ca -0.21 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1nqb n ARG 43 Cb 0.67 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 1nqb n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nqb n GLY 44 N 2.92 2.37 3.90 -0.13 0.00 -1.26 -4.98 105.19 108.02 1nqb n GLY 44 Ca -0.06 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1nqb n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nqb s LEU 45 N 0.00 4.37 0.01 0.99 1.43 -1.26 -3.36 118.68 120.86 1nqb s LEU 45 Ca 0.00 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1nqb s LEU 45 Cb 0.00 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 1nqb s LEU 45 CO 0.00 0.26 -0.04 -1.61 0.23 0.00 0.00 176.35 175.19 1nqb s GLU 46 N -1.92 0.33 -0.15 1.70 2.02 0.06 -4.98 118.70 115.76 1nqb s GLU 46 Ca 0.27 -0.32 -0.20 0.00 0.02 0.00 0.00 54.97 54.73 1nqb s GLU 46 Cb -0.13 -0.22 -0.03 0.00 0.10 0.00 0.00 34.13 33.85 1nqb s GLU 46 CO 0.18 0.05 0.59 -0.46 0.02 0.00 0.00 175.26 175.65 1nqb s TRP 47 N -0.54 3.45 -0.19 1.61 -0.00 -1.26 -0.73 118.94 121.27 1nqb s TRP 47 Ca -0.03 0.96 -0.18 0.00 -0.00 0.00 0.00 56.10 56.85 1nqb s TRP 47 Cb -0.04 -2.72 -0.14 0.00 -0.00 0.00 0.00 33.47 30.56 1nqb s TRP 47 CO -0.00 -0.03 0.08 -0.89 -0.00 0.00 0.00 176.95 176.10 1nqb n ILE 48 N 4.26 1.50 -2.55 5.86 5.41 -0.60 -4.68 119.36 128.56 1nqb n ILE 48 Ca -0.03 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1nqb n ILE 48 Cb 0.51 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 1nqb n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1nqb n GLY 49 N 1.48 -1.57 3.30 7.39 0.00 -1.24 -1.07 105.19 113.49 1nqb n GLY 49 Ca -0.25 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 1nqb n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nqb s ARG 50 N -1.39 1.04 0.02 1.61 1.04 -0.08 -2.35 118.95 118.85 1nqb s ARG 50 Ca 0.00 -0.97 0.01 0.00 -1.04 0.00 0.00 55.73 53.73 1nqb s ARG 50 Cb 0.00 0.40 -0.01 0.00 -2.04 0.00 0.00 34.95 33.29 1nqb s ARG 50 CO 0.00 -0.38 -0.04 -1.50 -0.04 0.00 0.00 175.30 173.34 1nqb s ILE 51 N -3.88 0.21 -0.34 4.99 2.07 -0.61 -1.94 121.20 121.70 1nqb s ILE 51 Ca 0.09 -0.65 -0.13 0.00 -1.41 0.00 0.00 60.65 58.54 1nqb s ILE 51 Cb 0.03 -0.29 -0.02 0.00 0.13 0.00 0.00 42.46 42.31 1nqb s ILE 51 CO -0.07 -0.29 0.26 -0.62 -1.91 0.00 0.00 174.94 172.31 1nqb s ASP 52 N -0.99 6.08 0.47 4.50 2.15 -0.37 -1.63 116.67 126.88 1nqb s ASP 52 Ca -0.09 -0.36 0.22 0.00 0.43 0.00 0.00 52.55 52.76 1nqb s ASP 52 Cb -0.07 -2.15 1.18 0.00 -0.30 0.00 0.00 42.92 41.58 1nqb s ASP 52 CO -0.00 -0.24 1.98 -0.65 -0.17 0.00 0.00 175.17 176.09 1nqb h PRO 53 N 8.47 0.00 0.40 4.34 0.11 -1.85 0.12 132.00 143.59 1nqb h PRO 53 Ca -0.31 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 1nqb h PRO 53 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1nqb h PRO 53 CO 0.64 0.19 -0.19 -0.97 -0.21 0.00 0.00 178.00 177.46 1nqb h ASN 54 N 0.00 -0.45 0.00 -2.05 -1.24 -1.89 -3.37 115.58 106.58 1nqb h ASN 54 Ca -0.00 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.88 1nqb h ASN 54 Cb 0.45 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1nqb h ASN 54 CO 0.03 -0.07 -1.95 -1.54 -1.29 0.00 0.00 177.43 172.60 1nqb n SER 55 N -5.18 0.10 0.00 1.15 3.41 -1.23 -5.01 113.62 106.85 1nqb n SER 55 Ca -0.10 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1nqb n SER 55 Cb 0.29 1.95 0.00 0.00 -0.26 0.00 0.00 64.21 66.19 1nqb n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nqb n GLY 56 N 1.28 0.75 3.78 5.00 0.00 0.41 -5.06 105.19 111.36 1nqb n GLY 56 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1nqb n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqb s GLY 57 N -1.74 2.69 0.14 -0.02 0.00 -1.25 -4.75 107.32 102.38 1nqb s GLY 57 Ca 0.00 0.84 0.03 0.00 0.00 0.00 0.00 44.72 45.59 1nqb s GLY 57 CO 0.00 1.24 -0.08 -0.51 0.00 0.00 0.00 173.10 173.75 1nqb s THR 58 N -1.69 0.99 -0.11 0.90 -4.23 -1.26 -1.24 115.64 109.01 1nqb s THR 58 Ca 0.67 -2.02 -0.05 0.00 -1.18 0.00 0.00 61.69 59.11 1nqb s THR 58 Cb -0.25 -1.84 0.05 0.00 1.34 0.00 0.00 72.50 71.80 1nqb s THR 58 CO 0.29 -0.75 0.24 -0.75 -0.54 0.00 0.00 174.62 173.12 1nqb s LYS 59 N -3.79 0.18 0.19 3.99 2.20 -0.82 -5.01 119.74 116.69 1nqb s LYS 59 Ca 0.16 0.58 0.10 0.00 -0.36 0.00 0.00 55.97 56.45 1nqb s LYS 59 Cb 0.04 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 1nqb s LYS 59 CO -0.00 -0.20 -0.17 0.71 -0.36 0.00 0.00 175.35 175.33 1nqb s TYR 60 N 1.57 2.46 -0.14 4.03 1.51 -1.26 -0.90 117.35 124.63 1nqb s TYR 60 Ca -0.06 -0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 55.41 1nqb s TYR 60 Cb -0.11 -1.20 -0.01 0.00 -0.11 0.00 0.00 41.96 40.53 1nqb s TYR 60 CO -0.08 0.52 1.12 1.21 -1.11 0.00 0.00 175.55 177.20 1nqb s ASN 61 N -2.81 7.10 0.41 2.29 3.84 -0.23 -4.89 114.94 120.64 1nqb s ASN 61 Ca 0.23 1.60 0.22 0.00 0.21 0.00 0.00 52.86 55.13 1nqb s ASN 61 Cb -0.08 -2.55 1.22 0.00 -0.55 0.00 0.00 41.25 39.29 1nqb s ASN 61 CO 0.13 -0.60 1.72 -0.08 -2.79 0.00 0.00 177.10 175.48 1nqb h GLU 62 N 7.50 0.27 -0.04 0.43 4.57 -1.95 0.64 114.58 126.01 1nqb h GLU 62 Ca -0.28 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 1nqb h GLU 62 Cb 1.12 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1nqb h GLU 62 CO 0.92 0.18 -0.00 -0.22 -1.18 0.00 0.00 179.01 178.70 1nqb h LYS 63 N 0.28 0.05 -0.31 1.92 3.64 -1.95 -2.99 116.57 117.22 1nqb h LYS 63 Ca 0.67 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 1nqb h LYS 63 Cb 1.86 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.67 1nqb h LYS 63 CO -0.33 0.06 0.00 1.19 -2.27 0.00 0.00 179.45 178.10 1nqb n PHE 64 N -4.50 0.41 -0.32 1.91 3.72 0.20 -4.70 117.46 114.18 1nqb n PHE 64 Ca -0.02 -0.40 0.01 0.00 -0.05 0.00 0.00 57.45 56.99 1nqb n PHE 64 Cb 0.11 -0.02 0.19 0.00 -0.94 0.00 0.00 39.48 38.83 1nqb n PHE 64 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1nqb h LYS 65 N 2.30 1.12 0.00 -1.08 3.64 -1.35 -1.20 116.57 120.00 1nqb h LYS 65 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1nqb h LYS 65 Cb 0.71 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1nqb h LYS 65 CO 0.00 0.74 -0.35 -1.13 -2.27 0.00 0.00 179.45 176.44 1nqb n SER 66 N -4.44 0.46 -0.07 4.20 3.41 -1.26 -4.13 113.62 111.79 1nqb n SER 66 Ca 0.12 0.12 -0.11 0.00 -0.26 0.00 0.00 58.87 58.75 1nqb n SER 66 Cb 0.10 -0.08 -0.15 0.00 -0.26 0.00 0.00 64.21 63.83 1nqb n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1nqb n LYS 67 N -1.74 0.67 -4.23 4.33 4.81 -0.79 -4.86 118.16 116.36 1nqb n LYS 67 Ca 0.05 0.13 -0.20 0.00 -0.87 0.00 0.00 58.31 57.42 1nqb n LYS 67 Cb 0.37 -1.63 -0.12 0.00 0.02 0.00 0.00 35.03 33.67 1nqb n LYS 67 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nqb s ALA 68 N -2.54 1.46 -0.04 3.14 0.00 -0.52 -2.15 121.76 121.12 1nqb s ALA 68 Ca -0.11 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1nqb s ALA 68 Cb 0.07 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1nqb s ALA 68 CO 0.81 0.22 -0.02 0.99 0.00 0.00 0.00 175.76 177.76 1nqb s THR 69 N -1.42 0.34 -0.10 0.00 2.01 -0.70 -4.76 115.64 111.00 1nqb s THR 69 Ca 0.03 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 1nqb s THR 69 Cb -0.09 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 1nqb s THR 69 CO 0.03 0.19 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.39 1nqb s LEU 70 N 1.10 3.54 0.28 4.42 1.43 -1.26 -1.24 118.68 126.95 1nqb s LEU 70 Ca -0.09 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1nqb s LEU 70 Cb -0.14 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1nqb s LEU 70 CO -0.01 0.33 0.35 0.42 0.23 0.00 0.00 176.35 177.67 1nqb s THR 71 N -0.58 0.00 0.13 5.49 -4.23 -0.83 -5.01 115.64 110.62 1nqb s THR 71 Ca 0.10 -1.73 -0.07 0.00 -1.18 0.00 0.00 61.69 58.81 1nqb s THR 71 Cb -0.12 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 1nqb s THR 71 CO 0.02 0.00 0.20 0.68 -0.54 0.00 0.00 174.62 174.98 1nqb s VAL 72 N -3.62 0.10 -0.30 2.29 -7.23 -1.26 -1.10 120.40 109.28 1nqb s VAL 72 Ca 0.33 -1.46 -0.02 0.00 -1.81 0.00 0.00 61.98 59.02 1nqb s VAL 72 Cb 0.02 -1.73 0.10 0.00 0.56 0.00 0.00 36.38 35.33 1nqb s VAL 72 CO 0.17 -0.46 0.11 -0.62 -0.31 0.00 0.00 175.10 173.99 1nqb s ASP 73 N -2.95 3.85 0.16 4.85 2.15 -0.17 -4.98 116.67 119.57 1nqb s ASP 73 Ca 0.15 -1.51 -0.17 0.00 0.43 0.00 0.00 52.55 51.45 1nqb s ASP 73 Cb 0.05 -0.67 0.06 0.00 -0.30 0.00 0.00 42.92 42.06 1nqb s ASP 73 CO -0.03 -0.42 1.69 0.11 -0.17 0.00 0.00 175.17 176.34 1nqb h LYS 74 N 8.21 0.03 -0.97 4.34 1.57 -1.93 -1.09 116.57 126.74 1nqb h LYS 74 Ca -0.16 -0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.79 1nqb h LYS 74 Cb 1.01 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.21 1nqb h LYS 74 CO 0.46 0.02 0.57 -1.35 -0.57 0.00 0.00 179.45 178.58 1nqb h PRO 75 N 0.03 0.73 -0.12 3.15 0.11 -1.98 -1.38 132.00 132.55 1nqb h PRO 75 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1nqb h PRO 75 Cb 0.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1nqb h PRO 75 CO -0.32 0.48 0.00 -1.13 -0.21 0.00 0.00 178.00 176.82 1nqb n SER 76 N -4.78 2.69 -3.83 -2.05 3.41 -1.09 -4.97 113.62 102.99 1nqb n SER 76 Ca 0.21 -1.88 -0.26 0.00 -0.26 0.00 0.00 58.87 56.69 1nqb n SER 76 Cb 0.52 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1nqb n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1nqb n SER 77 N 1.06 -2.31 -4.27 4.04 7.64 -0.44 -4.73 113.62 114.61 1nqb n SER 77 Ca 0.16 -0.84 -0.30 0.00 1.01 0.00 0.00 58.87 58.90 1nqb n SER 77 Cb 0.53 -3.78 -0.16 0.00 -1.01 0.00 0.00 64.21 59.79 1nqb n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nqb s THR 78 N -3.58 1.88 -0.03 0.44 2.01 -1.03 -1.42 115.64 113.91 1nqb s THR 78 Ca 0.25 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1nqb s THR 78 Cb -0.13 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1nqb s THR 78 CO 0.84 0.53 0.01 0.00 -0.69 0.00 0.00 174.62 175.31 1nqb s ALA 79 N -0.49 3.33 0.10 7.40 0.00 0.05 -1.00 121.76 131.16 1nqb s ALA 79 Ca 0.07 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.21 1nqb s ALA 79 Cb -0.10 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1nqb s ALA 79 CO -0.00 0.63 -0.17 0.71 0.00 0.00 0.00 175.76 176.93 1nqb s TYR 80 N -1.03 1.51 -0.11 0.00 2.02 -0.26 -0.46 117.35 119.02 1nqb s TYR 80 Ca 0.18 -0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 56.39 1nqb s TYR 80 Cb -0.12 -0.82 0.04 0.00 -0.40 0.00 0.00 41.96 40.67 1nqb s TYR 80 CO 0.08 0.15 0.03 1.41 -1.57 0.00 0.00 175.55 175.65 1nqb s MET 81 N -2.09 0.43 -0.24 -0.62 -2.45 -0.45 -1.96 119.30 111.92 1nqb s MET 81 Ca 0.05 0.01 -0.13 0.00 -1.25 0.00 0.00 55.69 54.38 1nqb s MET 81 Cb -0.09 -1.26 -0.05 0.00 1.25 0.00 0.00 34.83 34.69 1nqb s MET 81 CO 0.03 -0.43 0.26 -1.14 1.05 0.00 0.00 175.02 174.79 1nqb s GLN 82 N 2.00 4.08 -0.07 4.11 2.00 -0.37 -0.95 119.66 130.46 1nqb s GLN 82 Ca 0.03 -0.11 0.01 0.00 -2.00 0.00 0.00 55.36 53.30 1nqb s GLN 82 Cb -0.14 -3.57 -0.03 0.00 0.80 0.00 0.00 33.01 30.07 1nqb s GLN 82 CO -0.06 -0.04 -0.08 -0.51 -0.50 0.00 0.00 175.29 174.09 1nqb s LEU 83 N 1.36 3.09 0.23 3.68 1.43 0.02 -1.73 118.68 126.77 1nqb s LEU 83 Ca 0.12 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 1nqb s LEU 83 Cb -0.14 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1nqb s LEU 83 CO 0.07 0.35 -0.05 -0.94 0.23 0.00 0.00 176.35 176.01 1nqb s SER 84 N -0.75 2.24 -1.46 2.29 1.04 -0.91 -1.46 113.70 114.69 1nqb s SER 84 Ca 0.11 -1.16 -0.02 0.00 0.48 0.00 0.00 55.95 55.37 1nqb s SER 84 Cb -0.11 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.95 1nqb s SER 84 CO 0.01 -0.39 0.35 -1.20 0.98 0.00 0.00 173.24 172.99 1nqb n SER 85 N -0.45 -0.24 -4.76 7.02 7.64 -1.16 -4.88 113.62 116.79 1nqb n SER 85 Ca -0.06 -1.07 -0.40 0.00 1.01 0.00 0.00 58.87 58.35 1nqb n SER 85 Cb 0.63 -2.70 0.02 0.00 -1.01 0.00 0.00 64.21 61.15 1nqb n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nqb s LEU 86 N -7.08 4.07 0.34 -3.43 1.43 -0.72 -4.63 118.68 108.66 1nqb s LEU 86 Ca 0.06 2.90 0.04 0.00 -1.03 0.00 0.00 54.13 56.10 1nqb s LEU 86 Cb -0.03 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 1nqb s LEU 86 CO 0.92 -1.24 0.16 0.42 0.23 0.00 0.00 176.35 176.84 1nqb s THR 87 N -1.22 0.40 0.53 5.49 -4.23 -1.26 -0.15 115.64 115.20 1nqb s THR 87 Ca 0.63 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.35 1nqb s THR 87 Cb -0.43 -2.48 0.34 0.00 1.34 0.00 0.00 72.50 71.27 1nqb s THR 87 CO 0.55 0.00 2.06 0.77 -0.54 0.00 0.00 174.62 177.46 1nqb h SER 88 N 2.08 0.00 0.46 3.99 4.64 -1.90 0.98 113.55 123.81 1nqb h SER 88 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1nqb h SER 88 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1nqb h SER 88 CO 0.52 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.64 1nqb n GLU 89 N -4.43 0.05 0.00 4.77 0.28 -1.26 -2.65 120.64 117.40 1nqb n GLU 89 Ca 0.04 0.22 0.11 0.00 -0.16 0.00 0.00 57.16 57.38 1nqb n GLU 89 Cb 0.38 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 31.85 1nqb n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1nqb n ASP 90 N -1.45 1.19 -4.67 -1.84 8.00 0.34 -4.89 116.55 113.23 1nqb n ASP 90 Ca 0.04 -0.97 -0.42 0.00 0.71 0.00 0.00 54.79 54.16 1nqb n ASP 90 Cb 0.16 0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 41.75 1nqb n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nqb s SER 91 N -2.75 6.62 0.10 -2.24 0.01 -1.09 -4.90 113.70 109.44 1nqb s SER 91 Ca 0.15 2.37 -0.25 0.00 1.31 0.00 0.00 55.95 59.53 1nqb s SER 91 Cb 0.18 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.95 1nqb s SER 91 CO 0.68 -0.94 1.14 0.00 0.41 0.00 0.00 173.24 174.52 1nqb s ALA 92 N 3.85 -1.95 -0.19 1.44 0.00 -0.58 -4.46 121.76 119.88 1nqb s ALA 92 Ca 0.76 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.56 1nqb s ALA 92 Cb -0.36 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1nqb s ALA 92 CO 0.32 -1.09 0.06 0.08 0.00 0.00 0.00 175.76 175.13 1nqb s VAL 93 N -2.21 4.61 -0.12 0.00 1.01 -0.38 -0.51 120.40 122.80 1nqb s VAL 93 Ca 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 1nqb s VAL 93 Cb -0.01 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1nqb s VAL 93 CO 0.02 0.43 -0.05 -0.31 0.00 0.00 0.00 175.10 175.19 1nqb s TYR 94 N 0.65 2.98 0.16 5.22 1.51 -0.05 -1.32 117.35 126.50 1nqb s TYR 94 Ca 0.03 -0.20 0.11 0.00 -1.01 0.00 0.00 57.07 56.00 1nqb s TYR 94 Cb -0.13 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1nqb s TYR 94 CO 0.02 0.09 -0.24 0.71 -1.11 0.00 0.00 175.55 175.02 1nqb s TYR 95 N -0.08 2.33 0.01 2.71 2.02 0.01 -0.98 117.35 123.36 1nqb s TYR 95 Ca 0.01 -0.36 0.05 0.00 -0.37 0.00 0.00 57.07 56.41 1nqb s TYR 95 Cb -0.13 -1.21 -0.03 0.00 -0.40 0.00 0.00 41.96 40.19 1nqb s TYR 95 CO 0.03 0.43 -0.14 0.00 -1.57 0.00 0.00 175.55 174.30 1nqb s ALA 97 N -0.90 -0.41 0.10 0.00 0.00 -0.03 -1.26 121.76 119.27 1nqb s ALA 97 Ca 0.15 0.43 -0.27 0.00 0.00 0.00 0.00 51.96 52.27 1nqb s ALA 97 Cb -0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.70 1nqb s ALA 97 CO 0.05 -0.09 0.83 0.50 0.00 0.00 0.00 175.76 177.05 1nqb s ARG 98 N -0.02 4.59 -0.03 0.00 3.52 -0.10 -0.73 118.95 126.18 1nqb s ARG 98 Ca -0.01 1.21 -0.13 0.00 -0.13 0.00 0.00 55.73 56.67 1nqb s ARG 98 Cb -0.02 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 1nqb s ARG 98 CO 0.00 0.35 0.36 -0.47 -0.81 0.00 0.00 175.30 174.74 1nqb s TYR 99 N -0.38 3.69 1.01 5.12 5.04 -0.00 -2.11 117.35 129.72 1nqb s TYR 99 Ca 0.40 0.90 -0.18 0.00 -2.44 0.00 0.00 57.07 55.74 1nqb s TYR 99 Cb -0.22 -2.24 -0.05 0.00 0.35 0.00 0.00 41.96 39.79 1nqb s TYR 99 CO 0.26 0.63 -0.44 -0.40 -1.34 0.00 0.00 175.55 174.26 1nqb n ASP 100 N 1.97 -3.57 -0.07 4.32 5.68 -1.02 -3.86 116.55 120.01 1nqb n ASP 100 Ca -0.15 0.13 -0.13 0.00 -0.50 0.00 0.00 54.79 54.14 1nqb n ASP 100 Cb 0.53 -0.88 -0.06 0.00 -1.14 0.00 0.00 41.12 39.57 1nqb n ASP 100 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1nqb h TYR 101 N -1.38 0.54 0.00 2.11 3.20 -1.91 -3.42 116.97 116.11 1nqb h TYR 101 Ca -0.45 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.27 1nqb h TYR 101 Cb 1.33 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.48 1nqb h TYR 101 CO 0.21 0.79 0.00 2.48 -1.64 0.00 0.00 178.16 180.00 1nqb n TYR 102 N -4.49 0.00 -0.96 -3.82 0.18 -1.26 -4.99 117.16 101.82 1nqb n TYR 102 Ca -0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.73 1nqb n TYR 102 Cb 0.37 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.33 1nqb n TYR 102 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1nqb n GLY 103 N 5.00 -2.56 0.07 -7.48 0.00 -1.26 -4.97 105.19 93.99 1nqb n GLY 103 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1nqb n GLY 103 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nqb h SER 104 N 0.00 -0.13 -3.35 1.61 0.02 -1.96 -3.46 113.55 106.28 1nqb h SER 104 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1nqb h SER 104 Cb 0.95 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.46 1nqb h SER 104 CO 0.00 -0.01 -0.01 -0.94 -1.14 0.00 0.00 176.83 174.73 1nqb s SER 105 N -3.20 6.83 0.08 3.07 1.04 -1.26 -5.01 113.70 115.25 1nqb s SER 105 Ca -0.02 1.00 -0.14 0.00 0.48 0.00 0.00 55.95 57.26 1nqb s SER 105 Cb 0.00 -2.35 -0.22 0.00 0.10 0.00 0.00 66.02 63.55 1nqb s SER 105 CO 0.07 -0.08 1.21 1.88 0.98 0.00 0.00 173.24 177.30 1nqb h TYR 106 N 6.81 1.04 -2.68 5.02 -1.99 -1.89 -2.71 116.97 120.57 1nqb h TYR 106 Ca -0.40 -0.54 -0.59 0.00 2.00 0.00 0.00 58.73 59.19 1nqb h TYR 106 Cb 1.18 -0.13 -0.39 0.00 2.00 0.00 0.00 36.73 39.39 1nqb h TYR 106 CO 0.64 1.38 -0.83 -0.06 -0.00 0.00 0.00 178.16 179.29 1nqb s PHE 107 N -3.41 1.38 -0.19 4.88 0.08 -1.25 -3.68 117.98 115.79 1nqb s PHE 107 Ca -0.10 -2.16 0.18 0.00 0.12 0.00 0.00 56.93 54.97 1nqb s PHE 107 Cb 0.07 -1.32 -0.00 0.00 -0.57 0.00 0.00 43.02 41.20 1nqb s PHE 107 CO 0.91 -0.80 1.13 0.38 -0.10 0.00 0.00 175.22 176.75 1nqb h ASP 108 N 6.47 0.00 -3.52 1.36 2.03 -1.68 -3.45 116.42 117.62 1nqb h ASP 108 Ca 0.10 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 56.08 1nqb h ASP 108 Cb 0.93 0.00 -0.34 0.00 -0.83 0.00 0.00 39.33 39.09 1nqb h ASP 108 CO 0.39 0.38 -0.74 -0.31 -1.03 0.00 0.00 179.24 177.93 1nqb s TYR 109 N -3.05 0.19 0.15 4.15 2.02 -1.26 -5.02 117.35 114.53 1nqb s TYR 109 Ca 0.01 0.05 0.10 0.00 -0.37 0.00 0.00 57.07 56.85 1nqb s TYR 109 Cb 0.08 -0.32 -0.04 0.00 -0.40 0.00 0.00 41.96 41.28 1nqb s TYR 109 CO 0.77 -0.10 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.90 1nqb s TRP 110 N 0.98 2.50 0.91 2.71 0.52 -1.26 -0.92 118.94 124.38 1nqb s TRP 110 Ca -0.09 -0.28 -0.15 0.00 0.02 0.00 0.00 56.10 55.61 1nqb s TRP 110 Cb -0.13 -1.28 0.17 0.00 -1.15 0.00 0.00 33.47 31.08 1nqb s TRP 110 CO -0.02 0.45 1.28 0.20 0.02 0.00 0.00 176.95 178.87 1nqb s GLY 111 N -2.46 1.73 0.09 0.98 0.00 -0.39 -4.61 107.32 102.67 1nqb s GLY 111 Ca 0.20 -1.06 0.27 0.00 0.00 0.00 0.00 44.72 44.13 1nqb s GLY 111 CO 0.11 -0.37 1.84 0.61 0.00 0.00 0.00 173.10 175.29 1nqb n GLN 112 N -3.62 0.11 0.00 2.90 0.00 -1.25 -4.81 117.38 110.70 1nqb n GLN 112 Ca 0.13 0.11 0.00 0.00 0.00 0.00 0.00 57.00 57.25 1nqb n GLN 112 Cb 0.60 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 29.21 1nqb n GLN 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nqb n GLY 113 N 1.28 0.54 2.98 2.61 0.00 -1.26 -5.03 105.19 106.30 1nqb n GLY 113 Ca 0.06 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 1nqb n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqb s THR 114 N -2.75 1.29 -0.07 2.61 2.01 -0.15 -4.88 115.64 113.69 1nqb s THR 114 Ca 0.00 -0.48 -0.22 0.00 0.31 0.00 0.00 61.69 61.30 1nqb s THR 114 Cb 0.00 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1nqb s THR 114 CO 0.00 0.41 0.64 0.42 -0.69 0.00 0.00 174.62 175.40 1nqb s THR 115 N 1.42 5.07 -0.23 -0.82 -4.23 -1.26 -0.88 115.64 114.71 1nqb s THR 115 Ca 0.01 1.31 0.01 0.00 -1.18 0.00 0.00 61.69 61.85 1nqb s THR 115 Cb -0.13 -3.98 0.04 0.00 1.34 0.00 0.00 72.50 69.77 1nqb s THR 115 CO -0.07 0.28 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.47 1nqb s VAL 116 N 0.67 2.27 -0.22 2.29 1.01 0.33 -1.43 120.40 125.33 1nqb s VAL 116 Ca 0.34 -1.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1nqb s VAL 116 Cb -0.17 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1nqb s VAL 116 CO 0.16 0.23 -0.03 -0.89 0.00 0.00 0.00 175.10 174.57 1nqb s THR 117 N 1.22 3.50 -0.24 3.92 2.01 -0.49 -1.52 115.64 124.03 1nqb s THR 117 Ca -0.02 -0.45 -0.13 0.00 0.31 0.00 0.00 61.69 61.40 1nqb s THR 117 Cb -0.17 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1nqb s THR 117 CO -0.08 0.42 0.28 -0.69 -0.69 0.00 0.00 174.62 173.86 1nqb s VAL 118 N 1.45 5.27 0.49 3.82 1.01 -1.26 -1.53 120.40 129.65 1nqb s VAL 118 Ca 0.05 0.43 -0.23 0.00 0.00 0.00 0.00 61.98 62.24 1nqb s VAL 118 Cb -0.14 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 1nqb s VAL 118 CO -0.02 0.27 1.19 -1.54 0.00 0.00 0.00 175.10 175.00 1nqb n SER 119 N 4.62 2.01 -4.88 3.32 3.41 0.25 -4.86 113.62 117.49 1nqb n SER 119 Ca -0.11 1.00 -0.36 0.00 -0.26 0.00 0.00 58.87 59.14 1nqb n SER 119 Cb 0.51 -1.47 -0.06 0.00 -0.26 0.00 0.00 64.21 62.94 1nqb n SER 119 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1nqb s SER 120 N -0.81 6.53 0.53 4.04 0.01 -1.26 -4.60 113.70 118.14 1nqb s SER 120 Ca 0.67 0.62 -0.20 0.00 1.31 0.00 0.00 55.95 58.35 1nqb s SER 120 Cb -0.47 -2.12 -0.06 0.00 0.21 0.00 0.00 66.02 63.58 1nqb s SER 120 CO 0.53 0.29 1.14 -1.81 0.41 0.00 0.00 173.24 173.80 1nqb s ASP 121 N -1.50 5.75 -0.04 2.44 1.01 -1.26 -4.97 116.67 118.10 1nqb s ASP 121 Ca 0.25 2.22 -0.30 0.00 0.71 0.00 0.00 52.55 55.43 1nqb s ASP 121 Cb -0.14 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 1nqb s ASP 121 CO 0.14 -1.20 1.06 -0.63 0.21 0.00 0.00 175.17 174.75 1nqb s ILE 122 N -1.71 4.60 -0.16 0.77 1.01 -1.26 -5.01 121.20 119.44 1nqb s ILE 122 Ca 0.72 1.87 -0.06 0.00 0.00 0.00 0.00 60.65 63.18 1nqb s ILE 122 Cb -0.25 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 1nqb s ILE 122 CO 0.29 0.07 0.03 -1.61 0.00 0.00 0.00 174.94 173.72 1nqb s GLU 123 N 1.57 3.75 -0.34 2.79 2.02 -1.26 -4.77 118.70 122.46 1nqb s GLU 123 Ca 0.53 -0.39 -0.08 0.00 0.02 0.00 0.00 54.97 55.04 1nqb s GLU 123 Cb -0.22 -3.08 0.03 0.00 0.10 0.00 0.00 34.13 30.96 1nqb s GLU 123 CO 0.24 0.34 0.13 -0.51 0.02 0.00 0.00 175.26 175.47 1nqb s LEU 124 N 0.16 4.34 -0.26 1.80 1.02 -1.26 -1.31 118.68 123.18 1nqb s LEU 124 Ca 0.03 -1.02 -0.17 0.00 0.02 0.00 0.00 54.13 52.98 1nqb s LEU 124 Cb -0.13 -1.91 -0.03 0.00 0.02 0.00 0.00 46.19 44.14 1nqb s LEU 124 CO 0.01 -0.32 0.46 -0.89 0.02 0.00 0.00 176.35 175.64 1nqb s THR 125 N 1.46 5.11 -0.13 5.49 2.01 0.22 -4.00 115.64 125.81 1nqb s THR 125 Ca 0.00 0.77 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 1nqb s THR 125 Cb -0.19 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1nqb s THR 125 CO 0.04 0.12 -0.07 -1.10 -0.69 0.00 0.00 174.62 172.93 1nqb s GLN 126 N 2.14 3.36 0.00 4.92 -0.21 -1.26 -1.23 119.66 127.38 1nqb s GLN 126 Ca 0.19 -0.56 -0.00 0.00 0.02 0.00 0.00 55.36 55.01 1nqb s GLN 126 Cb -0.16 -2.76 -0.01 0.00 1.00 0.00 0.00 33.01 31.08 1nqb s GLN 126 CO 0.09 0.35 -0.00 0.95 -2.12 0.00 0.00 175.29 174.57 1nqb s THR 127 N 0.03 0.04 0.70 -0.19 -4.23 -0.52 -4.55 115.64 106.92 1nqb s THR 127 Ca -0.01 -0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 60.16 1nqb s THR 127 Cb -0.14 -0.10 0.08 0.00 1.34 0.00 0.00 72.50 73.68 1nqb s THR 127 CO 0.03 -0.16 0.98 -2.16 -0.54 0.00 0.00 174.62 172.77 1nqb s PRO 128 N -0.47 2.03 0.17 3.99 0.04 -1.26 -1.07 135.00 138.41 1nqb s PRO 128 Ca -0.05 -0.56 -0.03 0.00 0.04 0.00 0.00 61.00 60.39 1nqb s PRO 128 Cb -0.03 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1nqb s PRO 128 CO -0.00 -1.27 1.42 1.25 0.04 0.00 0.00 177.00 178.44 1nqb h LEU 129 N -0.53 0.55 -7.94 -3.56 5.85 -1.80 -3.40 115.31 104.48 1nqb h LEU 129 Ca -0.42 -0.36 -0.41 0.00 0.84 0.00 0.00 57.88 57.52 1nqb h LEU 129 Cb 1.29 -0.16 -0.31 0.00 0.37 0.00 0.00 40.66 41.85 1nqb h LEU 129 CO 0.52 1.11 -0.78 -0.55 -0.34 0.00 0.00 178.44 178.40 1nqb s SER 130 N -6.99 1.11 -0.35 1.25 0.15 -1.26 -1.51 113.70 106.10 1nqb s SER 130 Ca -0.06 -0.17 -0.00 0.00 0.70 0.00 0.00 55.95 56.41 1nqb s SER 130 Cb 0.10 -0.31 0.12 0.00 -1.71 0.00 0.00 66.02 64.22 1nqb s SER 130 CO 0.85 0.05 0.17 -0.22 1.20 0.00 0.00 173.24 175.29 1nqb s LEU 131 N 0.24 1.81 0.13 3.45 0.20 0.02 -4.92 118.68 119.61 1nqb s LEU 131 Ca -0.04 -1.98 -0.30 0.00 0.69 0.00 0.00 54.13 52.50 1nqb s LEU 131 Cb -0.08 -0.72 -0.06 0.00 -0.43 0.00 0.00 46.19 44.89 1nqb s LEU 131 CO 0.00 -0.35 1.04 -2.84 -0.29 0.00 0.00 176.35 173.91 1nqb s PRO 132 N 1.22 4.63 0.11 0.98 0.02 -1.26 -2.36 135.00 138.33 1nqb s PRO 132 Ca 0.14 1.59 -0.01 0.00 0.02 0.00 0.00 61.00 62.74 1nqb s PRO 132 Cb -0.20 -3.33 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 1nqb s PRO 132 CO -0.14 0.11 0.03 0.14 -0.33 0.00 0.00 177.00 176.81 1nqb s VAL 133 N -0.00 0.15 -0.11 3.83 -7.23 0.43 -4.76 120.40 112.72 1nqb s VAL 133 Ca 0.49 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.74 1nqb s VAL 133 Cb -0.26 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1nqb s VAL 133 CO 0.32 -0.62 0.04 -0.44 -0.31 0.00 0.00 175.10 174.08 1nqb s SER 134 N -3.01 5.51 0.25 4.85 0.01 -1.26 0.59 113.70 120.63 1nqb s SER 134 Ca 0.19 0.19 -0.31 0.00 1.31 0.00 0.00 55.95 57.33 1nqb s SER 134 Cb 0.08 -1.67 -0.13 0.00 0.21 0.00 0.00 66.02 64.50 1nqb s SER 134 CO -0.02 0.35 1.41 0.18 0.41 0.00 0.00 173.24 175.58 1nqb n LEU 135 N 2.34 3.21 0.00 2.44 4.32 -1.26 -1.52 117.00 126.53 1nqb n LEU 135 Ca -0.19 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.95 1nqb n LEU 135 Cb 0.54 -1.44 0.00 0.00 -1.62 0.00 0.00 43.42 40.90 1nqb n LEU 135 CO 0.30 -0.45 0.00 0.61 -1.22 0.00 0.00 177.39 176.63 1nqb n GLY 136 N 2.08 3.09 3.83 -0.72 0.00 0.35 -4.95 105.19 108.87 1nqb n GLY 136 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1nqb n GLY 136 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nqb s ASP 137 N -1.13 4.20 0.21 1.61 1.01 -0.57 -4.35 116.67 117.64 1nqb s ASP 137 Ca 0.00 1.03 -0.02 0.00 0.71 0.00 0.00 52.55 54.27 1nqb s ASP 137 Cb 0.00 -1.65 -0.05 0.00 1.01 0.00 0.00 42.92 42.23 1nqb s ASP 137 CO 0.00 -2.12 0.42 -1.10 0.21 0.00 0.00 175.17 172.57 1nqb s GLN 138 N -5.32 3.56 0.03 8.23 -0.21 -1.26 -0.57 119.66 124.11 1nqb s GLN 138 Ca 0.62 -0.24 -0.04 0.00 0.02 0.00 0.00 55.36 55.72 1nqb s GLN 138 Cb -0.13 -2.81 -0.01 0.00 1.00 0.00 0.00 33.01 31.05 1nqb s GLN 138 CO 0.52 0.38 0.05 0.00 -2.12 0.00 0.00 175.29 174.13 1nqb s ALA 139 N -1.87 0.01 -0.08 6.09 0.00 -0.49 -4.96 121.76 120.46 1nqb s ALA 139 Ca 0.40 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 1nqb s ALA 139 Cb -0.11 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.24 1nqb s ALA 139 CO 0.28 -0.26 0.18 0.45 0.00 0.00 0.00 175.76 176.41 1nqb s SER 140 N -1.91 -0.18 0.01 0.00 0.15 -1.26 -0.85 113.70 109.67 1nqb s SER 140 Ca -0.08 0.38 0.07 0.00 0.70 0.00 0.00 55.95 57.01 1nqb s SER 140 Cb -0.04 0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 64.56 1nqb s SER 140 CO -0.03 -0.12 -0.21 -0.63 1.20 0.00 0.00 173.24 173.45 1nqb s ILE 141 N 0.76 1.64 -0.01 6.45 1.01 0.06 -4.84 121.20 126.27 1nqb s ILE 141 Ca -0.06 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1nqb s ILE 141 Cb -0.07 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 1nqb s ILE 141 CO -0.04 0.36 -0.02 -0.55 0.00 0.00 0.00 174.94 174.69 1nqb s SER 142 N -0.76 4.97 -0.17 3.58 0.15 -0.23 -1.63 113.70 119.60 1nqb s SER 142 Ca 0.08 -0.04 -0.04 0.00 0.70 0.00 0.00 55.95 56.65 1nqb s SER 142 Cb -0.08 -1.26 0.08 0.00 -1.71 0.00 0.00 66.02 63.04 1nqb s SER 142 CO 0.00 0.29 0.20 0.00 1.20 0.00 0.00 173.24 174.93 1nqb s ARG 144 N 2.31 2.26 0.11 0.00 0.52 -0.36 -0.82 118.95 122.97 1nqb s ARG 144 Ca 0.05 -0.91 0.03 0.00 -0.52 0.00 0.00 55.73 54.38 1nqb s ARG 144 Cb -0.15 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 1nqb s ARG 144 CO -0.10 0.52 0.15 -1.54 0.02 0.00 0.00 175.30 174.35 1nqb s SER 145 N -0.50 5.82 0.32 0.23 1.04 -0.17 -0.61 113.70 119.83 1nqb s SER 145 Ca 0.06 0.04 0.26 0.00 0.48 0.00 0.00 55.95 56.80 1nqb s SER 145 Cb -0.11 -1.64 0.89 0.00 0.10 0.00 0.00 66.02 65.26 1nqb s SER 145 CO 0.00 0.12 1.77 0.77 0.98 0.00 0.00 173.24 176.88 1nqb h SER 146 N 2.81 0.00 -5.19 7.02 4.64 -1.54 -3.46 113.55 117.83 1nqb h SER 146 Ca -0.47 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 1nqb h SER 146 Cb 1.18 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.14 1nqb h SER 146 CO 0.67 0.00 -0.29 -1.10 -0.87 0.00 0.00 176.83 175.24 1nqb s GLN 147 N -3.29 1.05 0.31 4.77 -0.21 -1.26 -4.98 119.66 116.05 1nqb s GLN 147 Ca 0.06 -1.03 -0.29 0.00 0.02 0.00 0.00 55.36 54.12 1nqb s GLN 147 Cb 0.10 0.38 -0.12 0.00 1.00 0.00 0.00 33.01 34.37 1nqb s GLN 147 CO 0.53 -0.37 1.48 0.45 -2.12 0.00 0.00 175.29 175.26 1nqb n SER 148 N -0.17 3.46 -1.14 5.90 2.88 -1.26 -4.79 113.62 118.50 1nqb n SER 148 Ca -0.11 1.18 0.11 0.00 -1.33 0.00 0.00 58.87 58.71 1nqb n SER 148 Cb 0.63 -1.55 0.27 0.00 -0.75 0.00 0.00 64.21 62.81 1nqb n SER 148 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1nqb n ILE 149 N 1.34 0.73 -2.76 2.46 2.08 -0.83 -4.92 119.36 117.45 1nqb n ILE 149 Ca 0.06 -0.80 -0.42 0.00 0.56 0.00 0.00 62.75 62.16 1nqb n ILE 149 Cb 0.36 0.56 -0.03 0.00 -0.75 0.00 0.00 39.64 39.78 1nqb n ILE 149 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1nqb s VAL 150 N -1.27 4.89 0.47 1.39 1.01 -1.26 -4.01 120.40 121.61 1nqb s VAL 150 Ca 0.41 1.95 -0.11 0.00 0.00 0.00 0.00 61.98 64.23 1nqb s VAL 150 Cb 0.22 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1nqb s VAL 150 CO 0.30 0.16 0.86 -2.28 0.00 0.00 0.00 175.10 174.13 1nqb s HIS 151 N 1.09 3.50 0.60 5.22 2.46 0.19 -4.97 115.29 123.38 1nqb s HIS 151 Ca 0.49 1.16 0.30 0.00 0.47 0.00 0.00 55.06 57.48 1nqb s HIS 151 Cb -0.20 -2.55 1.82 0.00 -0.13 0.00 0.00 32.58 31.52 1nqb s HIS 151 CO 0.25 -0.26 2.22 0.66 -2.47 0.00 0.00 174.74 175.14 1nqb h SER 152 N 0.86 0.00 -0.00 9.88 4.64 -1.93 -0.13 113.55 126.87 1nqb h SER 152 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1nqb h SER 152 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1nqb h SER 152 CO 0.63 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.13 1nqb n ASN 153 N -3.79 0.02 0.00 4.97 0.23 -1.26 -4.90 115.26 110.54 1nqb n ASN 153 Ca -0.02 -1.07 0.00 0.00 -0.53 0.00 0.00 54.58 52.96 1nqb n ASN 153 Cb 0.14 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 1nqb n ASN 153 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nqb n GLY 154 N 0.97 1.70 3.89 4.83 0.00 -0.06 -5.07 105.19 111.44 1nqb n GLY 154 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1nqb n GLY 154 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nqb s ASN 155 N -1.75 6.43 -0.34 1.61 0.02 -1.26 -4.80 114.94 114.86 1nqb s ASN 155 Ca 0.00 1.01 0.04 0.00 -1.02 0.00 0.00 52.86 52.89 1nqb s ASN 155 Cb 0.00 -2.27 0.10 0.00 0.02 0.00 0.00 41.25 39.10 1nqb s ASN 155 CO 0.00 -0.42 0.06 -0.89 0.02 0.00 0.00 177.10 175.86 1nqb s THR 156 N -2.44 2.21 -1.51 1.60 2.01 -1.26 -0.64 115.64 115.61 1nqb s THR 156 Ca 0.49 -2.31 -0.12 0.00 0.31 0.00 0.00 61.69 60.05 1nqb s THR 156 Cb -0.10 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.77 1nqb s THR 156 CO 0.35 -0.61 2.47 -1.22 -0.69 0.00 0.00 174.62 174.92 1nqb n TYR 157 N 4.27 3.14 -3.96 4.92 4.01 -1.26 -3.98 117.16 124.30 1nqb n TYR 157 Ca 0.04 -3.01 -0.35 0.00 -0.16 0.00 0.00 57.90 54.41 1nqb n TYR 157 Cb 0.42 -2.51 -0.12 0.00 -0.31 0.00 0.00 39.34 36.82 1nqb n TYR 157 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1nqb s LEU 158 N 1.40 3.47 0.24 7.72 1.98 -1.26 -0.86 118.68 131.37 1nqb s LEU 158 Ca 0.54 -0.13 0.07 0.00 -2.89 0.00 0.00 54.13 51.73 1nqb s LEU 158 Cb 0.15 -1.90 -0.05 0.00 0.66 0.00 0.00 46.19 45.06 1nqb s LEU 158 CO -0.08 0.06 -0.11 -1.61 -1.89 0.00 0.00 176.35 172.72 1nqb s GLU 159 N 1.04 1.43 -0.03 1.98 2.02 0.22 -0.63 118.70 124.73 1nqb s GLU 159 Ca 0.03 -1.67 0.04 0.00 0.02 0.00 0.00 54.97 53.39 1nqb s GLU 159 Cb -0.14 -1.14 -0.00 0.00 0.10 0.00 0.00 34.13 32.94 1nqb s GLU 159 CO 0.03 0.13 -0.15 -1.58 0.02 0.00 0.00 175.26 173.71 1nqb s TRP 160 N -2.98 1.45 0.10 1.61 0.52 -0.65 -0.52 118.94 118.46 1nqb s TRP 160 Ca 0.26 -0.39 0.07 0.00 0.02 0.00 0.00 56.10 56.05 1nqb s TRP 160 Cb 0.01 -0.99 -0.03 0.00 -1.15 0.00 0.00 33.47 31.31 1nqb s TRP 160 CO 0.09 -0.13 -0.17 0.71 0.02 0.00 0.00 176.95 177.47 1nqb s TYR 161 N 0.05 1.50 -0.12 -1.98 1.51 0.62 -1.49 117.35 117.44 1nqb s TYR 161 Ca -0.03 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 1nqb s TYR 161 Cb -0.10 -0.81 0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1nqb s TYR 161 CO 0.01 0.15 -0.15 -1.17 -1.11 0.00 0.00 175.55 173.29 1nqb s LEU 162 N -2.05 1.70 -0.26 -1.29 2.96 -0.43 -0.84 118.68 118.48 1nqb s LEU 162 Ca 0.05 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1nqb s LEU 162 Cb -0.08 -1.10 0.02 0.00 0.50 0.00 0.00 46.19 45.52 1nqb s LEU 162 CO 0.03 -0.00 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.46 1nqb s GLN 163 N 1.10 2.94 0.42 1.98 0.74 0.03 -1.41 119.66 125.46 1nqb s GLN 163 Ca -0.04 -0.92 -0.10 0.00 0.05 0.00 0.00 55.36 54.35 1nqb s GLN 163 Cb -0.14 -3.08 -0.06 0.00 1.10 0.00 0.00 33.01 30.83 1nqb s GLN 163 CO -0.04 -0.39 0.78 0.15 -0.55 0.00 0.00 175.29 175.24 1nqb s LYS 164 N 1.38 3.75 -0.36 1.67 1.02 -1.26 -1.33 119.74 124.60 1nqb s LYS 164 Ca 0.01 0.45 -0.42 0.00 0.02 0.00 0.00 55.97 56.03 1nqb s LYS 164 Cb -0.17 -2.38 -0.17 0.00 -0.52 0.00 0.00 37.83 34.59 1nqb s LYS 164 CO -0.03 -0.07 1.74 -2.30 -0.92 0.00 0.00 175.35 173.78 1nqb n PRO 165 N -1.43 0.75 -0.77 -1.68 -0.02 -1.26 -1.39 135.00 129.20 1nqb n PRO 165 Ca 0.02 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1nqb n PRO 165 Cb 0.54 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1nqb n PRO 165 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqb n GLY 166 N 4.40 1.11 3.83 -1.23 0.00 -1.26 -5.01 105.19 107.03 1nqb n GLY 166 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 1nqb n GLY 166 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nqb s GLN 167 N -0.14 2.35 0.56 1.61 -0.21 -0.49 -5.13 119.66 118.21 1nqb s GLN 167 Ca 0.00 -1.77 -0.07 0.00 0.02 0.00 0.00 55.36 53.54 1nqb s GLN 167 Cb 0.00 -2.16 -0.02 0.00 1.00 0.00 0.00 33.01 31.84 1nqb s GLN 167 CO 0.00 -0.27 0.89 -1.54 -2.12 0.00 0.00 175.29 172.25 1nqb s SER 168 N -4.08 5.96 0.72 5.90 1.04 -1.26 -4.57 113.70 117.40 1nqb s SER 168 Ca 0.42 0.95 -0.15 0.00 0.48 0.00 0.00 55.95 57.65 1nqb s SER 168 Cb -0.00 -2.07 0.03 0.00 0.10 0.00 0.00 66.02 64.08 1nqb s SER 168 CO 0.24 -0.86 1.17 -2.84 0.98 0.00 0.00 173.24 171.93 1nqb s PRO 169 N -4.95 2.28 -0.02 4.02 0.02 -1.26 -4.52 135.00 130.57 1nqb s PRO 169 Ca 0.52 1.62 0.04 0.00 0.02 0.00 0.00 61.00 63.19 1nqb s PRO 169 Cb -0.11 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.54 1nqb s PRO 169 CO 0.47 -1.70 -0.13 0.15 -0.33 0.00 0.00 177.00 175.46 1nqb s LYS 170 N -4.03 1.21 0.19 5.54 -0.14 -0.50 -4.94 119.74 117.07 1nqb s LYS 170 Ca 0.71 -0.48 -0.30 0.00 -1.36 0.00 0.00 55.97 54.55 1nqb s LYS 170 Cb -0.26 -1.14 -0.08 0.00 -1.68 0.00 0.00 37.83 34.68 1nqb s LYS 170 CO 0.45 0.25 1.20 -1.17 -0.76 0.00 0.00 175.35 175.32 1nqb s LEU 171 N -0.15 4.45 -0.02 3.17 2.96 -1.26 -1.32 118.68 126.51 1nqb s LEU 171 Ca 0.02 2.25 -0.02 0.00 -0.22 0.00 0.00 54.13 56.16 1nqb s LEU 171 Cb -0.07 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1nqb s LEU 171 CO 0.00 -0.38 -0.05 0.18 -1.32 0.00 0.00 176.35 174.78 1nqb n LEU 172 N 2.44 0.43 -4.06 -0.68 4.77 -0.56 -4.79 117.00 114.56 1nqb n LEU 172 Ca 0.04 0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.90 1nqb n LEU 172 Cb 0.44 -0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 1nqb n LEU 172 CO 0.56 -0.04 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.51 1nqb s ILE 173 N -2.08 0.80 0.07 -0.08 -1.09 -1.14 -1.72 121.20 115.97 1nqb s ILE 173 Ca -0.05 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 57.81 1nqb s ILE 173 Cb 0.02 -0.71 -0.03 0.00 -1.58 0.00 0.00 42.46 40.16 1nqb s ILE 173 CO 0.07 0.11 -0.11 -0.72 -1.23 0.00 0.00 174.94 173.06 1nqb s TYR 174 N -0.47 1.03 -1.39 3.97 1.13 0.31 -1.64 117.35 120.29 1nqb s TYR 174 Ca 0.02 -0.54 -0.04 0.00 -1.41 0.00 0.00 57.07 55.09 1nqb s TYR 174 Cb -0.05 -0.58 0.03 0.00 -1.10 0.00 0.00 41.96 40.26 1nqb s TYR 174 CO 0.00 0.01 0.73 1.63 -2.51 0.00 0.00 175.55 175.41 1nqb n LYS 175 N 1.04 -4.78 0.00 -3.49 5.02 -1.05 -1.64 118.16 113.26 1nqb n LYS 175 Ca -0.20 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1nqb n LYS 175 Cb 0.56 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.41 1nqb n LYS 175 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nqb n VAL 176 N -4.41 0.00 -0.80 -0.18 0.31 0.20 -4.20 118.33 109.25 1nqb n VAL 176 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1nqb n VAL 176 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 1nqb n VAL 176 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1nqb n SER 177 N 1.79 0.39 -4.72 4.52 3.41 -1.22 -3.48 113.62 114.30 1nqb n SER 177 Ca 0.00 -1.19 -0.36 0.00 -0.26 0.00 0.00 58.87 57.06 1nqb n SER 177 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1nqb n SER 177 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1nqb s ASN 178 N -0.19 6.34 0.06 4.04 0.01 -0.65 -4.60 114.94 119.94 1nqb s ASN 178 Ca 0.00 0.39 -0.25 0.00 -0.71 0.00 0.00 52.86 52.29 1nqb s ASN 178 Cb 0.00 -2.15 -0.06 0.00 0.41 0.00 0.00 41.25 39.45 1nqb s ASN 178 CO 0.00 0.11 0.75 -0.60 -1.51 0.00 0.00 177.10 175.85 1nqb s ARG 179 N 0.54 4.49 0.61 -0.60 3.52 -1.26 -0.53 118.95 125.72 1nqb s ARG 179 Ca 0.13 1.06 -0.17 0.00 -0.13 0.00 0.00 55.73 56.62 1nqb s ARG 179 Cb -0.12 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 1nqb s ARG 179 CO 0.02 0.34 1.12 0.12 -0.81 0.00 0.00 175.30 176.09 1nqb s PHE 180 N -0.27 2.65 0.06 5.12 5.36 -0.70 -4.92 117.98 125.28 1nqb s PHE 180 Ca 0.37 1.55 -0.33 0.00 -0.96 0.00 0.00 56.93 57.56 1nqb s PHE 180 Cb -0.21 -3.21 -0.12 0.00 -0.34 0.00 0.00 43.02 39.14 1nqb s PHE 180 CO 0.23 -1.62 1.74 0.45 -1.46 0.00 0.00 175.22 174.56 1nqb n SER 181 N -1.97 3.40 0.00 6.13 2.88 -1.26 -1.69 113.62 121.10 1nqb n SER 181 Ca 0.11 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1nqb n SER 181 Cb 0.52 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1nqb n SER 181 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nqb n GLY 182 N 3.95 0.73 3.69 0.46 0.00 -1.26 -5.05 105.19 107.70 1nqb n GLY 182 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1nqb n GLY 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqb s VAL 183 N -2.30 4.94 0.51 1.61 1.01 -0.68 -5.03 120.40 120.46 1nqb s VAL 183 Ca 0.00 1.61 -0.22 0.00 0.00 0.00 0.00 61.98 63.37 1nqb s VAL 183 Cb 0.00 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 1nqb s VAL 183 CO 0.00 0.13 1.11 -2.65 0.00 0.00 0.00 175.10 173.69 1nqb n PRO 184 N 4.51 1.38 0.00 2.72 -0.02 -1.26 -4.87 135.00 137.45 1nqb n PRO 184 Ca 0.02 0.51 0.05 0.00 -2.02 0.00 0.00 63.50 62.06 1nqb n PRO 184 Cb 0.50 -2.26 0.30 0.00 -0.02 0.00 0.00 33.50 32.02 1nqb n PRO 184 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1nqb n ASP 185 N -0.29 0.00 0.19 2.55 5.75 -1.26 -2.50 116.55 120.99 1nqb n ASP 185 Ca 0.10 -0.70 0.14 0.00 -0.01 0.00 0.00 54.79 54.32 1nqb n ASP 185 Cb 0.43 0.00 0.48 0.00 -1.03 0.00 0.00 41.12 41.00 1nqb n ASP 185 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1nqb h ARG 186 N 0.00 0.00 -5.54 0.11 0.11 -1.95 -3.43 114.38 103.68 1nqb h ARG 186 Ca 0.00 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.48 1nqb h ARG 186 Cb 0.00 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 30.99 1nqb h ARG 186 CO 0.00 0.00 -0.35 -0.06 0.10 0.00 0.00 179.97 179.66 1nqb s PHE 187 N -3.37 3.50 -0.04 4.08 0.08 -1.04 -1.28 117.98 119.90 1nqb s PHE 187 Ca 0.05 0.60 -0.09 0.00 0.12 0.00 0.00 56.93 57.61 1nqb s PHE 187 Cb 0.09 -2.26 0.01 0.00 -0.57 0.00 0.00 43.02 40.29 1nqb s PHE 187 CO 0.53 0.35 0.21 -1.54 -0.10 0.00 0.00 175.22 174.67 1nqb s SER 188 N 0.09 -0.14 0.12 1.36 1.04 -0.84 -4.98 113.70 110.35 1nqb s SER 188 Ca 0.16 0.16 0.10 0.00 0.48 0.00 0.00 55.95 56.85 1nqb s SER 188 Cb -0.13 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1nqb s SER 188 CO 0.04 -0.24 -0.24 -0.83 0.98 0.00 0.00 173.24 172.96 1nqb s GLY 189 N -0.64 1.41 0.26 7.32 0.00 -1.26 -1.06 107.32 113.35 1nqb s GLY 189 Ca -0.07 -1.37 -0.15 0.00 0.00 0.00 0.00 44.72 43.13 1nqb s GLY 189 CO 0.01 -1.37 0.55 -1.35 0.00 0.00 0.00 173.10 170.94 1nqb s SER 190 N -2.04 -0.10 0.00 1.64 1.04 -0.53 -4.29 113.70 109.41 1nqb s SER 190 Ca 0.11 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1nqb s SER 190 Cb -0.10 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1nqb s SER 190 CO 0.05 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.67 1nqb n GLY 191 N -0.41 0.84 3.65 7.32 0.00 -1.26 -1.33 105.19 114.00 1nqb n GLY 191 Ca -0.02 -2.32 -0.03 0.00 0.00 0.00 0.00 46.02 43.64 1nqb n GLY 191 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqb s SER 192 N -0.23 -0.17 0.19 1.61 1.04 -0.86 -4.98 113.70 110.30 1nqb s SER 192 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1nqb s SER 192 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1nqb s SER 192 CO 0.00 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1nqb n GLY 193 N -0.40 0.54 0.00 7.32 0.00 -1.26 -1.99 105.19 109.40 1nqb n GLY 193 Ca -0.07 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1nqb n GLY 193 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nqb n THR 194 N 0.00 0.05 -4.21 2.61 -2.24 -1.26 -1.97 114.28 107.26 1nqb n THR 194 Ca 0.00 -0.34 -0.26 0.00 -2.27 0.00 0.00 64.05 61.18 1nqb n THR 194 Cb 0.00 1.31 -0.17 0.00 -2.10 0.00 0.00 70.33 69.37 1nqb n THR 194 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nqb s ASP 195 N -0.05 2.02 0.12 3.42 1.11 -0.84 -1.00 116.67 121.44 1nqb s ASP 195 Ca 0.00 -0.31 0.04 0.00 0.18 0.00 0.00 52.55 52.46 1nqb s ASP 195 Cb 0.00 -0.85 -0.04 0.00 1.07 0.00 0.00 42.92 43.10 1nqb s ASP 195 CO 0.00 -0.05 -0.11 -0.36 1.18 0.00 0.00 175.17 175.83 1nqb s PHE 196 N 1.23 1.19 -0.03 4.23 0.40 0.00 -2.03 117.98 122.98 1nqb s PHE 196 Ca -0.04 -0.66 -0.03 0.00 -0.60 0.00 0.00 56.93 55.60 1nqb s PHE 196 Cb -0.14 -0.63 0.01 0.00 0.51 0.00 0.00 43.02 42.77 1nqb s PHE 196 CO -0.03 0.06 0.08 0.99 0.70 0.00 0.00 175.22 177.02 1nqb s THR 197 N -2.64 -0.01 -0.12 0.64 2.01 -0.44 -1.82 115.64 113.26 1nqb s THR 197 Ca 0.09 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1nqb s THR 197 Cb -0.02 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.35 1nqb s THR 197 CO 0.01 0.01 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.58 1nqb s LEU 198 N 0.24 2.56 0.08 4.42 2.96 -0.64 -1.45 118.68 126.85 1nqb s LEU 198 Ca -0.02 -0.39 0.09 0.00 -0.22 0.00 0.00 54.13 53.60 1nqb s LEU 198 Cb -0.03 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1nqb s LEU 198 CO -0.01 0.16 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.40 1nqb s LYS 199 N 0.36 1.43 -0.18 1.98 1.02 -0.23 -0.76 119.74 123.36 1nqb s LYS 199 Ca -0.13 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.72 1nqb s LYS 199 Cb -0.16 -1.70 0.04 0.00 -0.52 0.00 0.00 37.83 35.48 1nqb s LYS 199 CO 0.06 0.42 -0.09 0.42 -0.92 0.00 0.00 175.35 175.24 1nqb s ILE 200 N -0.96 1.42 0.22 2.17 1.01 -0.03 -1.99 121.20 123.04 1nqb s ILE 200 Ca 0.10 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 1nqb s ILE 200 Cb -0.10 -1.51 0.15 0.00 0.01 0.00 0.00 42.46 41.01 1nqb s ILE 200 CO 0.04 0.20 1.77 0.77 0.00 0.00 0.00 174.94 177.71 1nqb h SER 201 N 8.04 1.08 -1.90 3.58 4.64 -1.48 -1.29 113.55 126.23 1nqb h SER 201 Ca -0.28 -0.18 -0.15 0.00 -0.47 0.00 0.00 61.79 60.71 1nqb h SER 201 Cb 1.11 -0.28 -0.30 0.00 -0.31 0.00 0.00 62.40 62.62 1nqb h SER 201 CO 0.45 0.98 -0.48 -0.60 -0.87 0.00 0.00 176.83 176.31 1nqb s ARG 202 N -5.48 0.35 0.02 4.77 3.52 -1.25 -4.08 118.95 116.79 1nqb s ARG 202 Ca -0.12 0.53 -0.30 0.00 -0.13 0.00 0.00 55.73 55.70 1nqb s ARG 202 Cb 0.16 -0.49 -0.06 0.00 -1.56 0.00 0.00 34.95 33.00 1nqb s ARG 202 CO 0.84 -0.65 1.33 0.08 -0.81 0.00 0.00 175.30 176.10 1nqb s VAL 203 N 2.54 3.78 0.29 7.11 1.01 0.26 -4.82 120.40 130.58 1nqb s VAL 203 Ca 0.13 1.21 0.07 0.00 0.00 0.00 0.00 61.98 63.39 1nqb s VAL 203 Cb -0.15 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1nqb s VAL 203 CO -0.16 0.03 0.23 -1.61 0.00 0.00 0.00 175.10 173.59 1nqb s GLU 204 N 1.93 2.79 0.33 2.72 0.41 -1.26 -0.49 118.70 125.13 1nqb s GLU 204 Ca 0.62 -1.19 0.04 0.00 -0.41 0.00 0.00 54.97 54.02 1nqb s GLU 204 Cb -0.31 -2.50 0.65 0.00 -1.78 0.00 0.00 34.13 30.19 1nqb s GLU 204 CO 0.27 0.26 1.93 0.00 -0.49 0.00 0.00 175.26 177.23 1nqb h ALA 205 N 1.40 1.62 0.00 5.21 0.00 -2.00 -1.36 119.26 124.14 1nqb h ALA 205 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1nqb h ALA 205 Cb 1.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1nqb h ALA 205 CO 0.60 0.24 0.00 -0.85 0.00 0.00 0.00 179.25 179.24 1nqb n GLU 206 N -4.49 0.06 0.00 0.00 0.28 -1.26 -2.83 120.64 112.40 1nqb n GLU 206 Ca 0.13 0.24 0.12 0.00 -0.16 0.00 0.00 57.16 57.49 1nqb n GLU 206 Cb 0.23 -1.50 0.34 0.00 1.43 0.00 0.00 31.44 31.94 1nqb n GLU 206 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1nqb n ASP 207 N -1.43 0.40 -4.75 -1.84 8.00 -0.51 -4.92 116.55 111.50 1nqb n ASP 207 Ca 0.04 -0.10 -0.41 0.00 0.71 0.00 0.00 54.79 55.03 1nqb n ASP 207 Cb 0.14 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1nqb n ASP 207 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nqb s LEU 208 N -2.98 4.46 0.00 0.64 1.43 -1.13 -4.90 118.68 116.20 1nqb s LEU 208 Ca 0.12 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 1nqb s LEU 208 Cb 0.18 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1nqb s LEU 208 CO 0.66 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.45 1nqb n GLY 209 N 1.80 -0.23 3.48 -3.19 0.00 -0.86 -4.76 105.19 101.42 1nqb n GLY 209 Ca 0.03 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 1nqb n GLY 209 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqb s VAL 210 N -2.97 4.31 -0.07 1.61 1.01 -0.45 -0.84 120.40 123.01 1nqb s VAL 210 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 1nqb s VAL 210 Cb 0.00 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1nqb s VAL 210 CO 0.00 0.38 0.29 -0.31 0.00 0.00 0.00 175.10 175.46 1nqb s TYR 211 N 1.26 3.64 -0.02 5.22 1.51 0.02 -0.79 117.35 128.19 1nqb s TYR 211 Ca 0.04 0.76 0.03 0.00 -1.01 0.00 0.00 57.07 56.89 1nqb s TYR 211 Cb -0.15 -2.16 -0.00 0.00 -0.11 0.00 0.00 41.96 39.54 1nqb s TYR 211 CO 0.03 0.62 -0.10 0.71 -1.11 0.00 0.00 175.55 175.70 1nqb s TYR 212 N -0.83 0.95 0.21 2.71 2.02 -0.02 -1.32 117.35 121.06 1nqb s TYR 212 Ca 0.19 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.71 1nqb s TYR 212 Cb -0.14 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 1nqb s TYR 212 CO 0.08 -0.06 0.37 0.00 -1.57 0.00 0.00 175.55 174.37 1nqb s PHE 214 N -1.92 -0.22 -0.12 0.00 5.36 0.32 -1.28 117.98 120.12 1nqb s PHE 214 Ca 0.36 0.47 0.02 0.00 -0.96 0.00 0.00 56.93 56.82 1nqb s PHE 214 Cb -0.10 0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.67 1nqb s PHE 214 CO 0.30 -0.26 -0.20 1.14 -1.46 0.00 0.00 175.22 174.74 1nqb s GLN 215 N -0.59 2.75 -0.28 10.12 1.03 -0.80 -0.61 119.66 131.29 1nqb s GLN 215 Ca -0.07 -0.76 0.09 0.00 0.04 0.00 0.00 55.36 54.66 1nqb s GLN 215 Cb -0.04 -2.22 0.47 0.00 0.03 0.00 0.00 33.01 31.25 1nqb s GLN 215 CO 0.02 0.00 1.36 0.41 -2.54 0.00 0.00 175.29 174.54 1nqb n GLY 216 N 4.02 5.25 0.13 2.60 0.00 -0.04 -3.32 105.19 113.83 1nqb n GLY 216 Ca -0.20 -1.50 -0.20 0.00 0.00 0.00 0.00 46.02 44.12 1nqb n GLY 216 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nqb n SER 217 N -1.06 2.01 -3.94 1.61 7.64 -1.26 -4.86 113.62 113.76 1nqb n SER 217 Ca 0.31 0.17 -0.21 0.00 1.01 0.00 0.00 58.87 60.15 1nqb n SER 217 Cb 0.89 -0.73 -0.16 0.00 -1.01 0.00 0.00 64.21 63.20 1nqb n SER 217 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1nqb s HIS 218 N -2.55 0.95 0.31 1.43 3.76 -1.26 -4.87 115.29 113.05 1nqb s HIS 218 Ca -0.23 -0.29 -0.29 0.00 -0.15 0.00 0.00 55.06 54.10 1nqb s HIS 218 Cb 0.07 -0.77 -0.10 0.00 1.11 0.00 0.00 32.58 32.90 1nqb s HIS 218 CO 0.75 -0.20 1.16 0.14 -0.85 0.00 0.00 174.74 175.74 1nqb s VAL 219 N 0.74 3.26 0.27 -0.90 -7.23 -1.26 -3.54 120.40 111.74 1nqb s VAL 219 Ca -0.12 1.25 -0.26 0.00 -1.81 0.00 0.00 61.98 61.04 1nqb s VAL 219 Cb -0.14 -3.78 -0.09 0.00 0.56 0.00 0.00 36.38 32.92 1nqb s VAL 219 CO 0.01 0.28 0.90 -2.16 -0.31 0.00 0.00 175.10 173.82 1nqb s PRO 220 N -1.64 4.60 0.28 4.82 0.04 -1.26 -4.94 135.00 136.91 1nqb s PRO 220 Ca 0.47 1.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 1nqb s PRO 220 Cb -0.34 -2.97 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 1nqb s PRO 220 CO 0.44 0.38 1.27 0.71 0.04 0.00 0.00 177.00 179.83 1nqb s TYR 221 N -1.45 3.22 0.16 0.56 2.02 -1.23 -4.71 117.35 115.92 1nqb s TYR 221 Ca 0.46 1.41 0.05 0.00 -0.37 0.00 0.00 57.07 58.62 1nqb s TYR 221 Cb -0.21 -3.58 -0.04 0.00 -0.40 0.00 0.00 41.96 37.73 1nqb s TYR 221 CO 0.26 -1.60 -0.12 0.95 -1.57 0.00 0.00 175.55 173.46 1nqb s THR 222 N -0.76 1.34 0.20 -0.71 -4.23 -1.21 -5.02 115.64 105.25 1nqb s THR 222 Ca 0.50 -2.07 0.10 0.00 -1.18 0.00 0.00 61.69 59.04 1nqb s THR 222 Cb -0.37 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 1nqb s THR 222 CO 0.46 -0.67 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.39 1nqb s PHE 223 N -3.11 2.56 0.89 3.99 0.40 -1.26 -1.91 117.98 119.53 1nqb s PHE 223 Ca 0.17 -0.25 -0.13 0.00 -0.60 0.00 0.00 56.93 56.12 1nqb s PHE 223 Cb 0.01 -1.23 0.13 0.00 0.51 0.00 0.00 43.02 42.44 1nqb s PHE 223 CO 0.02 0.54 1.20 0.20 0.70 0.00 0.00 175.22 177.88 1nqb s GLY 224 N -2.95 1.63 0.15 4.36 0.00 -0.40 -4.60 107.32 105.51 1nqb s GLY 224 Ca 0.25 -0.75 0.23 0.00 0.00 0.00 0.00 44.72 44.46 1nqb s GLY 224 CO 0.15 -0.16 1.72 0.61 0.00 0.00 0.00 173.10 175.42 1nqb n GLY 225 N -3.00 -1.38 0.00 0.20 0.00 -1.26 -4.75 105.19 95.00 1nqb n GLY 225 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1nqb n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqb n GLY 226 N 0.64 1.62 2.81 -0.02 0.00 -1.26 -5.06 105.19 103.92 1nqb n GLY 226 Ca 0.04 -1.69 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 1nqb n GLY 226 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqb s THR 227 N -2.21 0.46 -0.40 2.61 2.01 -0.44 -4.57 115.64 113.10 1nqb s THR 227 Ca 0.00 0.03 -0.20 0.00 0.31 0.00 0.00 61.69 61.84 1nqb s THR 227 Cb 0.00 -0.58 0.01 0.00 0.01 0.00 0.00 72.50 71.95 1nqb s THR 227 CO 0.00 0.26 0.60 -0.75 -0.69 0.00 0.00 174.62 174.04 1nqb s LYS 228 N 1.71 3.40 -0.32 4.92 2.20 -0.57 -0.80 119.74 130.29 1nqb s LYS 228 Ca 0.01 -0.28 -0.20 0.00 -0.36 0.00 0.00 55.97 55.14 1nqb s LYS 228 Cb -0.13 -3.90 -0.01 0.00 -1.51 0.00 0.00 37.83 32.29 1nqb s LYS 228 CO -0.04 -0.88 0.60 -1.17 -0.36 0.00 0.00 175.35 173.50 1nqb s LEU 229 N 2.66 4.19 0.13 5.43 2.96 -0.02 -0.80 118.68 133.24 1nqb s LEU 229 Ca 0.21 0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.46 1nqb s LEU 229 Cb -0.15 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 1nqb s LEU 229 CO 0.17 -0.48 -0.06 -1.83 -1.32 0.00 0.00 176.35 172.83 1nqb s GLU 230 N 2.56 0.98 0.25 1.98 -1.05 -1.00 -2.04 118.70 120.39 1nqb s GLU 230 Ca 0.23 -1.43 -0.30 0.00 -0.15 0.00 0.00 54.97 53.32 1nqb s GLU 230 Cb -0.15 -0.36 -0.11 0.00 -0.44 0.00 0.00 34.13 33.08 1nqb s GLU 230 CO 0.12 -0.02 1.53 0.42 0.95 0.00 0.00 175.26 178.27 1nqb s ILE 231 N -3.54 2.40 -0.21 1.83 -1.09 -1.26 -0.43 121.20 118.91 1nqb s ILE 231 Ca 0.17 0.33 -0.29 0.00 -2.23 0.00 0.00 60.65 58.62 1nqb s ILE 231 Cb 0.05 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 1nqb s ILE 231 CO -0.01 0.05 1.57 -0.75 -1.23 0.00 0.00 174.94 174.57 1nqb s LYS 232 N -0.06 3.86 0.00 2.79 2.20 0.20 -4.61 119.74 124.11 1nqb s LYS 232 Ca 0.64 1.66 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 1nqb s LYS 232 Cb -0.45 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 31.87 1nqb s LYS 232 CO 0.42 -1.22 0.00 -2.13 -0.36 0.00 0.00 175.35 172.06