#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q2a n SER 12 N 0.00 1.03 0.00 -3.46 7.64 -1.26 -1.51 113.62 116.06 2q2a n SER 12 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2q2a n SER 12 Cb 0.00 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 2q2a n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2q2a n GLY 13 N 1.86 1.63 0.00 0.23 0.00 -1.26 -5.01 105.19 102.65 2q2a n GLY 13 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2q2a n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q2a n GLY 14 N -2.00 4.25 1.19 -0.02 0.00 -0.57 -5.07 105.19 102.97 2q2a n GLY 14 Ca 0.00 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.26 2q2a n GLY 14 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2q2a n ASP 15 N -2.09 4.07 -1.64 1.61 5.75 -1.26 -4.60 116.55 118.39 2q2a n ASP 15 Ca 0.00 -2.41 -0.18 0.00 -0.01 0.00 0.00 54.79 52.18 2q2a n ASP 15 Cb 0.00 -0.47 -0.05 0.00 -1.03 0.00 0.00 41.12 39.56 2q2a n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2q2a n GLY 16 N 0.68 1.06 1.12 6.12 0.00 -1.26 -2.04 105.19 110.86 2q2a n GLY 16 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2q2a n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q2a n GLY 17 N -0.82 0.70 0.36 -0.02 0.00 -1.26 -4.80 105.19 99.34 2q2a n GLY 17 Ca -0.20 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.67 2q2a n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q2a h ALA 18 N 0.00 1.39 -3.57 4.61 0.00 -1.84 -3.41 119.26 116.44 2q2a h ALA 18 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 2q2a h ALA 18 Cb 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 17.79 17.20 2q2a h ALA 18 CO 0.00 0.35 -0.74 0.99 0.00 0.00 0.00 179.25 179.86 2q2a s THR 19 N -6.02 0.06 0.04 0.00 2.01 -1.26 -5.12 115.64 105.35 2q2a s THR 19 Ca -0.12 0.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.68 2q2a s THR 19 Cb 0.20 -0.15 -0.07 0.00 0.01 0.00 0.00 72.50 72.49 2q2a s THR 19 CO 0.81 0.09 1.52 -0.75 -0.69 0.00 0.00 174.62 175.61 2q2a s LYS 20 N 0.80 4.24 0.57 4.92 2.20 -1.26 -4.98 119.74 126.23 2q2a s LYS 20 Ca -0.07 2.15 -0.16 0.00 -0.36 0.00 0.00 55.97 57.53 2q2a s LYS 20 Cb -0.10 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 2q2a s LYS 20 CO -0.02 -0.64 1.04 -1.59 -0.36 0.00 0.00 175.35 173.78 2q2a s LYS 21 N 2.40 3.48 0.27 4.03 -2.85 -1.26 -5.03 119.74 120.78 2q2a s LYS 21 Ca 0.69 1.14 -0.12 0.00 -1.00 0.00 0.00 55.97 56.67 2q2a s LYS 21 Cb -0.36 -2.06 -0.08 0.00 -2.06 0.00 0.00 37.83 33.27 2q2a s LYS 21 CO 0.29 -0.67 0.64 0.15 0.10 0.00 0.00 175.35 175.86 2q2a s LYS 22 N -4.08 3.91 0.16 1.78 1.02 -1.26 -4.94 119.74 116.33 2q2a s LYS 22 Ca 0.62 0.48 -0.31 0.00 0.02 0.00 0.00 55.97 56.78 2q2a s LYS 22 Cb -0.14 -2.55 -0.09 0.00 -0.52 0.00 0.00 37.83 34.53 2q2a s LYS 22 CO 0.36 0.24 1.45 0.08 -0.92 0.00 0.00 175.35 176.56 2q2a s VAL 23 N -1.89 2.95 -0.42 3.17 1.01 -0.35 -4.85 120.40 120.02 2q2a s VAL 23 Ca 0.51 0.71 -0.18 0.00 0.00 0.00 0.00 61.98 63.01 2q2a s VAL 23 Cb -0.11 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2q2a s VAL 23 CO 0.19 0.07 0.51 -0.69 0.00 0.00 0.00 175.10 175.18 2q2a s VAL 24 N 0.85 5.00 -0.15 2.92 1.01 -1.26 -1.28 120.40 127.49 2q2a s VAL 24 Ca 0.65 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 2q2a s VAL 24 Cb -0.40 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 2q2a s VAL 24 CO 0.33 -0.46 0.02 -0.69 0.00 0.00 0.00 175.10 174.30 2q2a s VAL 25 N 2.37 4.40 0.19 2.92 1.01 0.12 -0.97 120.40 130.45 2q2a s VAL 25 Ca 0.16 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.04 2q2a s VAL 25 Cb -0.16 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2q2a s VAL 25 CO 0.15 0.51 -0.06 -0.83 0.00 0.00 0.00 175.10 174.87 2q2a s GLY 26 N 0.05 1.72 0.16 4.51 0.00 -0.42 -0.09 107.32 113.25 2q2a s GLY 26 Ca 0.03 -1.47 -0.19 0.00 0.00 0.00 0.00 44.72 43.09 2q2a s GLY 26 CO 0.02 -1.49 0.50 -1.08 0.00 0.00 0.00 173.10 171.05 2q2a s THR 27 N -1.80 0.03 -0.60 0.90 -1.32 -0.63 -2.17 115.64 110.05 2q2a s THR 27 Ca 0.26 -0.43 -0.05 0.00 -1.21 0.00 0.00 61.69 60.27 2q2a s THR 27 Cb -0.09 -1.22 0.15 0.00 -1.51 0.00 0.00 72.50 69.84 2q2a s THR 27 CO 0.17 -0.16 0.42 -0.62 -2.21 0.00 0.00 174.62 172.23 2q2a s ASP 28 N -2.80 5.43 -1.58 8.08 2.15 -1.26 -1.51 116.67 125.18 2q2a s ASP 28 Ca 0.04 -2.62 -0.10 0.00 0.43 0.00 0.00 52.55 50.30 2q2a s ASP 28 Cb 0.00 -1.90 -0.05 0.00 -0.30 0.00 0.00 42.92 40.67 2q2a s ASP 28 CO -0.10 -0.45 2.83 0.00 -0.17 0.00 0.00 175.17 177.28 2q2a n ALA 29 N 3.84 7.31 -2.79 3.66 0.00 -1.26 -4.18 120.51 127.08 2q2a n ALA 29 Ca 0.05 -3.63 -0.11 0.00 0.00 0.00 0.00 53.44 49.75 2q2a n ALA 29 Cb 0.40 -3.32 0.03 0.00 0.00 0.00 0.00 19.45 16.56 2q2a n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q2a n ALA 30 N 3.58 2.51 -2.74 0.00 0.00 -1.13 -3.74 120.51 118.99 2q2a n ALA 30 Ca 0.74 -2.82 -0.09 0.00 0.00 0.00 0.00 53.44 51.28 2q2a n ALA 30 Cb 0.25 -0.96 0.09 0.00 0.00 0.00 0.00 19.45 18.83 2q2a n ALA 30 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2q2a n PHE 31 N -0.03 -2.47 -1.88 0.00 -0.00 0.05 -4.03 117.46 109.09 2q2a n PHE 31 Ca 0.11 -2.15 -0.41 0.00 -0.00 0.00 0.00 57.45 55.00 2q2a n PHE 31 Cb 0.78 1.48 -0.00 0.00 -0.00 0.00 0.00 39.48 41.73 2q2a n PHE 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2q2a s ALA 32 N 0.02 3.49 -2.15 3.13 0.00 -1.20 -1.04 121.76 124.03 2q2a s ALA 32 Ca 0.23 1.48 0.17 0.00 0.00 0.00 0.00 51.96 53.84 2q2a s ALA 32 Cb 0.34 -3.57 0.51 0.00 0.00 0.00 0.00 23.12 20.40 2q2a s ALA 32 CO -0.06 -0.98 1.41 -0.35 0.00 0.00 0.00 175.76 175.78 2q2a n PRO 33 N 0.42 1.98 -0.05 0.00 -0.04 -1.26 -4.39 135.00 131.67 2q2a n PRO 33 Ca 0.01 -1.51 -0.15 0.00 -0.04 0.00 0.00 63.50 61.82 2q2a n PRO 33 Cb 0.40 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 2q2a n PRO 33 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2q2a h PHE 34 N 2.69 0.09 -2.76 0.54 0.04 -1.41 0.10 116.94 116.22 2q2a h PHE 34 Ca 0.00 -0.06 -0.13 0.00 2.80 0.00 0.00 57.97 60.58 2q2a h PHE 34 Cb 0.60 -0.01 -0.27 0.00 2.20 0.00 0.00 35.95 38.48 2q2a h PHE 34 CO 0.23 0.96 -0.33 -1.83 -0.60 0.00 0.00 178.31 176.74 2q2a s GLU 35 N -2.60 0.37 0.26 1.51 1.03 -0.94 -0.95 118.70 117.37 2q2a s GLU 35 Ca -0.18 0.68 -0.21 0.00 0.03 0.00 0.00 54.97 55.29 2q2a s GLU 35 Cb -0.02 0.01 0.03 0.00 -0.80 0.00 0.00 34.13 33.36 2q2a s GLU 35 CO 0.71 -0.14 0.78 1.52 -1.33 0.00 0.00 175.26 176.81 2q2a s TYR 36 N 1.10 -0.15 -0.14 4.83 -0.85 0.11 -0.77 117.35 121.48 2q2a s TYR 36 Ca -0.07 -0.30 -0.09 0.00 -0.52 0.00 0.00 57.07 56.08 2q2a s TYR 36 Cb -0.07 0.71 -0.05 0.00 0.38 0.00 0.00 41.96 42.93 2q2a s TYR 36 CO -0.09 -1.18 0.18 -1.64 -1.52 0.00 0.00 175.55 171.30 2q2a s MET 37 N -3.62 3.83 -0.10 -3.49 -1.94 -1.25 -0.77 119.30 111.97 2q2a s MET 37 Ca 0.12 -0.09 -0.04 0.00 -1.71 0.00 0.00 55.69 53.98 2q2a s MET 37 Cb -0.05 -3.30 0.05 0.00 2.01 0.00 0.00 34.83 33.55 2q2a s MET 37 CO 0.06 0.55 0.19 -1.14 -0.01 0.00 0.00 175.02 174.67 2q2a s GLN 38 N -0.39 0.07 -1.57 2.03 0.74 -0.03 -4.89 119.66 115.62 2q2a s GLN 38 Ca 0.14 0.58 -0.11 0.00 0.05 0.00 0.00 55.36 56.02 2q2a s GLN 38 Cb -0.12 -0.28 0.09 0.00 1.10 0.00 0.00 33.01 33.80 2q2a s GLN 38 CO 0.03 -0.32 0.70 1.63 -0.55 0.00 0.00 175.29 176.77 2q2a n LYS 39 N 5.33 -3.65 -0.98 1.67 4.76 -1.26 -1.19 118.16 122.84 2q2a n LYS 39 Ca -0.05 0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 2q2a n LYS 39 Cb 0.50 -4.98 0.00 0.00 -1.84 0.00 0.00 35.03 28.71 2q2a n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2q2a n GLY 40 N -1.65 0.71 3.46 0.72 0.00 -1.26 -5.01 105.19 102.15 2q2a n GLY 40 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2q2a n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q2a s LYS 41 N -0.13 1.88 -0.11 1.61 -0.14 -0.33 -5.11 119.74 117.41 2q2a s LYS 41 Ca 0.00 -1.11 -0.26 0.00 -1.36 0.00 0.00 55.97 53.24 2q2a s LYS 41 Cb 0.00 -2.12 -0.02 0.00 -1.68 0.00 0.00 37.83 34.01 2q2a s LYS 41 CO 0.00 0.50 0.85 0.42 -0.76 0.00 0.00 175.35 176.37 2q2a s ILE 42 N -1.03 4.90 0.18 2.17 1.01 -1.26 -0.85 121.20 126.32 2q2a s ILE 42 Ca 0.16 1.72 0.03 0.00 0.00 0.00 0.00 60.65 62.56 2q2a s ILE 42 Cb -0.10 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2q2a s ILE 42 CO 0.07 0.10 -0.03 0.68 0.00 0.00 0.00 174.94 175.76 2q2a s VAL 43 N 1.64 0.94 0.00 2.92 -7.23 0.05 -4.96 120.40 113.77 2q2a s VAL 43 Ca 0.42 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2q2a s VAL 43 Cb -0.18 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.67 2q2a s VAL 43 CO 0.17 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 2q2a n GLY 44 N -0.28 1.41 0.11 2.32 0.00 -1.26 -0.71 105.19 106.78 2q2a n GLY 44 Ca -0.07 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 2q2a n GLY 44 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2q2a h PHE 45 N 0.00 0.27 -0.61 1.61 3.57 -0.36 -1.72 116.94 119.70 2q2a h PHE 45 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2q2a h PHE 45 Cb 0.00 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 2q2a h PHE 45 CO 0.00 0.21 0.34 -0.44 -2.23 0.00 0.00 178.31 176.18 2q2a h ASP 46 N 0.26 0.75 -0.31 0.41 3.32 -1.28 -0.69 116.42 118.88 2q2a h ASP 46 Ca 0.08 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2q2a h ASP 46 Cb 0.01 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2q2a h ASP 46 CO -0.01 0.61 0.11 0.58 -1.72 0.00 0.00 179.24 178.80 2q2a h VAL 47 N 0.85 1.20 -0.39 -1.35 2.07 -1.50 0.14 116.25 117.27 2q2a h VAL 47 Ca 0.22 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 2q2a h VAL 47 Cb 0.02 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2q2a h VAL 47 CO -0.04 0.21 -0.01 0.44 0.02 0.00 0.00 177.57 178.20 2q2a h ASP 48 N 0.34 0.69 -0.22 0.57 3.32 -1.03 -1.94 116.42 118.14 2q2a h ASP 48 Ca 0.10 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 2q2a h ASP 48 Cb 0.22 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2q2a h ASP 48 CO -0.01 0.84 -0.05 0.25 -1.72 0.00 0.00 179.24 178.56 2q2a h LEU 49 N 0.53 0.43 -0.62 1.55 5.85 -1.00 -2.19 115.31 119.85 2q2a h LEU 49 Ca 0.11 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.56 2q2a h LEU 49 Cb 0.49 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 2q2a h LEU 49 CO 0.02 0.69 0.28 0.25 -0.34 0.00 0.00 178.44 179.33 2q2a h LEU 50 N 0.16 0.33 -0.37 2.25 5.85 -0.63 0.12 115.31 123.03 2q2a h LEU 50 Ca 0.06 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2q2a h LEU 50 Cb 0.49 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2q2a h LEU 50 CO 0.02 0.20 0.16 -0.78 -0.34 0.00 0.00 178.44 177.71 2q2a h ASP 51 N 0.49 0.51 -0.23 1.25 3.58 -1.21 0.11 116.42 120.92 2q2a h ASP 51 Ca 0.30 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2q2a h ASP 51 Cb 0.32 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2q2a h ASP 51 CO -0.26 0.52 0.14 0.00 -2.88 0.00 0.00 179.24 176.76 2q2a h ALA 52 N 1.01 0.29 0.32 -0.78 0.00 -0.91 -1.75 119.26 117.43 2q2a h ALA 52 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2q2a h ALA 52 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2q2a h ALA 52 CO -0.01 -0.25 -0.15 0.28 0.00 0.00 0.00 179.25 179.12 2q2a h VAL 53 N 0.30 0.70 -0.34 0.00 2.07 -0.46 -1.47 116.25 117.04 2q2a h VAL 53 Ca 0.09 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2q2a h VAL 53 Cb -0.02 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2q2a h VAL 53 CO -0.03 0.02 -0.02 0.24 0.02 0.00 0.00 177.57 177.80 2q2a h MET 54 N -0.47 0.54 -0.46 1.57 2.07 -0.78 0.64 114.93 118.05 2q2a h MET 54 Ca -0.04 -0.13 -0.05 0.00 -2.07 0.00 0.00 59.70 57.41 2q2a h MET 54 Cb 0.36 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.00 2q2a h MET 54 CO 0.07 0.59 0.07 0.87 1.07 0.00 0.00 176.91 179.58 2q2a h LYS 55 N 0.52 0.76 -0.33 1.72 1.57 -1.25 0.01 116.57 119.57 2q2a h LYS 55 Ca 0.11 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 2q2a h LYS 55 Cb 0.37 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2q2a h LYS 55 CO 0.01 0.78 0.04 0.00 -0.57 0.00 0.00 179.45 179.72 2q2a h ALA 56 N 0.95 1.47 0.00 3.86 0.00 -0.78 -1.61 119.26 123.15 2q2a h ALA 56 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2q2a h ALA 56 Cb 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2q2a h ALA 56 CO 0.01 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.64 2q2a n ALA 57 N -2.48 2.25 -2.81 0.00 0.00 0.17 -4.86 120.51 112.78 2q2a n ALA 57 Ca 0.02 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.18 2q2a n ALA 57 Cb 0.20 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.23 2q2a n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q2a n GLY 58 N 1.31 -0.33 3.17 0.00 0.00 -0.59 -5.01 105.19 103.73 2q2a n GLY 58 Ca 0.06 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2q2a n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q2a s LEU 59 N -5.58 3.21 0.43 0.99 1.43 -0.11 -5.03 118.68 114.02 2q2a s LEU 59 Ca 0.22 -0.97 -0.24 0.00 -1.03 0.00 0.00 54.13 52.11 2q2a s LEU 59 Cb -0.10 -1.64 -0.08 0.00 0.03 0.00 0.00 46.19 44.41 2q2a s LEU 59 CO 0.27 -0.14 1.14 -1.81 0.23 0.00 0.00 176.35 176.03 2q2a s ASP 60 N 1.28 6.38 0.21 2.29 1.01 -1.26 -4.56 116.67 122.02 2q2a s ASP 60 Ca -0.01 2.24 -0.14 0.00 0.71 0.00 0.00 52.55 55.35 2q2a s ASP 60 Cb -0.17 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.16 2q2a s ASP 60 CO -0.05 -0.77 0.45 -0.72 0.21 0.00 0.00 175.17 174.30 2q2a s TYR 61 N -1.55 0.19 -0.02 4.23 -0.85 -1.26 -1.21 117.35 116.88 2q2a s TYR 61 Ca 0.61 -0.55 0.03 0.00 -0.52 0.00 0.00 57.07 56.64 2q2a s TYR 61 Cb -0.27 0.21 -0.00 0.00 0.38 0.00 0.00 41.96 42.28 2q2a s TYR 61 CO 0.33 -0.91 -0.10 -1.21 -1.52 0.00 0.00 175.55 172.14 2q2a s GLU 62 N -3.95 0.93 -0.20 -3.49 2.02 -0.40 -4.87 118.70 108.73 2q2a s GLU 62 Ca 0.16 -0.36 -0.04 0.00 0.02 0.00 0.00 54.97 54.75 2q2a s GLU 62 Cb 0.00 -0.88 -0.02 0.00 0.10 0.00 0.00 34.13 33.33 2q2a s GLU 62 CO 0.03 0.19 -0.03 -1.17 0.02 0.00 0.00 175.26 174.30 2q2a s LEU 63 N -0.09 3.06 -0.15 1.80 2.96 -1.26 -0.70 118.68 124.30 2q2a s LEU 63 Ca 0.01 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2q2a s LEU 63 Cb -0.06 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2q2a s LEU 63 CO -0.00 0.04 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.47 2q2a s LYS 64 N 1.16 3.59 -1.15 1.98 -0.14 0.87 -5.00 119.74 121.04 2q2a s LYS 64 Ca 0.02 -0.55 -0.19 0.00 -1.36 0.00 0.00 55.97 53.89 2q2a s LYS 64 Cb -0.15 -2.85 0.08 0.00 -1.68 0.00 0.00 37.83 33.23 2q2a s LYS 64 CO 0.00 0.25 1.54 1.21 -0.76 0.00 0.00 175.35 177.60 2q2a s ASN 65 N 0.31 6.72 0.02 2.83 2.47 -1.26 -1.61 114.94 124.42 2q2a s ASN 65 Ca -0.05 -2.10 0.22 0.00 0.42 0.00 0.00 52.86 51.35 2q2a s ASN 65 Cb -0.14 -2.54 -0.07 0.00 -1.45 0.00 0.00 41.25 37.04 2q2a s ASN 65 CO 0.03 -1.24 0.92 0.00 -3.72 0.00 0.00 177.10 173.09 2q2a n ILE 66 N 6.30 0.09 0.00 -5.21 3.06 -0.57 -4.92 119.36 118.11 2q2a n ILE 66 Ca 0.39 -0.21 0.00 0.00 -2.50 0.00 0.00 62.75 60.44 2q2a n ILE 66 Cb 0.48 0.40 0.00 0.00 0.54 0.00 0.00 39.64 41.06 2q2a n ILE 66 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2q2a n GLY 67 N 1.39 0.15 0.05 4.50 0.00 -0.85 -4.52 105.19 105.91 2q2a n GLY 67 Ca 0.02 -1.83 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 2q2a n GLY 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2q2a h TRP 68 N 0.00 -0.06 -0.74 1.61 2.91 -1.84 -1.49 115.95 116.33 2q2a h TRP 68 Ca 0.00 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.04 2q2a h TRP 68 Cb 0.00 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.63 2q2a h TRP 68 CO 0.00 -0.04 0.47 -0.44 -1.03 0.00 0.00 178.44 177.40 2q2a h ASP 69 N -0.48 0.79 -0.47 2.65 3.32 -1.91 -1.78 116.42 118.53 2q2a h ASP 69 Ca -0.01 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.06 2q2a h ASP 69 Cb 0.05 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2q2a h ASP 69 CO 0.01 0.55 0.31 -0.65 -1.72 0.00 0.00 179.24 177.75 2q2a h PRO 70 N 0.93 0.54 -0.19 3.56 0.11 -1.80 -2.03 132.00 133.13 2q2a h PRO 70 Ca 0.29 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.40 2q2a h PRO 70 Cb -0.02 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 30.94 2q2a h PRO 70 CO -0.10 0.36 0.01 1.25 -0.21 0.00 0.00 178.00 179.31 2q2a h LEU 71 N 0.56 -0.06 -0.89 2.35 5.85 -0.38 0.40 115.31 123.14 2q2a h LEU 71 Ca 0.19 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 2q2a h LEU 71 Cb 0.06 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2q2a h LEU 71 CO -0.05 -0.00 0.16 -0.26 -0.34 0.00 0.00 178.44 177.95 2q2a h PHE 72 N 0.07 1.02 -0.65 1.25 0.04 -1.15 -1.28 116.94 116.23 2q2a h PHE 72 Ca 0.09 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 2q2a h PHE 72 Cb 0.10 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 2q2a h PHE 72 CO -0.16 0.83 0.06 0.00 -0.60 0.00 0.00 178.31 178.44 2q2a h ALA 73 N 1.24 0.87 -0.03 2.45 0.00 -1.10 -2.62 119.26 120.07 2q2a h ALA 73 Ca 0.20 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2q2a h ALA 73 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2q2a h ALA 73 CO -0.00 0.67 -0.58 0.77 0.00 0.00 0.00 179.25 180.12 2q2a h SER 74 N 1.03 0.10 -0.49 0.00 0.02 -0.63 -2.48 113.55 111.09 2q2a h SER 74 Ca 0.19 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2q2a h SER 74 Cb 0.50 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2q2a h SER 74 CO 0.02 0.65 0.20 -0.07 -1.14 0.00 0.00 176.83 176.49 2q2a h LEU 75 N 0.06 0.68 -0.60 5.07 3.38 -1.12 -1.31 115.31 121.49 2q2a h LEU 75 Ca -0.00 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.82 2q2a h LEU 75 Cb 1.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2q2a h LEU 75 CO 0.08 0.66 0.37 -0.61 0.09 0.00 0.00 178.44 179.04 2q2a h GLN 76 N 0.66 0.72 0.00 1.13 4.15 -1.23 -2.05 115.11 118.48 2q2a h GLN 76 Ca 0.16 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2q2a h GLN 76 Cb 0.20 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.72 2q2a h GLN 76 CO -0.01 0.48 0.00 -1.13 -1.93 0.00 0.00 178.83 176.23 2q2a n SER 77 N -4.72 0.55 -0.34 -0.69 3.41 -0.96 -4.93 113.62 105.95 2q2a n SER 77 Ca 0.05 0.55 -0.04 0.00 -0.26 0.00 0.00 58.87 59.17 2q2a n SER 77 Cb 0.06 -0.70 -0.02 0.00 -0.26 0.00 0.00 64.21 63.30 2q2a n SER 77 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2q2a n LYS 78 N -2.01 -0.91 0.20 4.33 5.02 -0.62 -4.90 118.16 119.27 2q2a n LYS 78 Ca 0.06 0.51 0.03 0.00 -2.02 0.00 0.00 58.31 56.89 2q2a n LYS 78 Cb 0.40 -4.36 0.40 0.00 -0.02 0.00 0.00 35.03 31.45 2q2a n LYS 78 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2q2a h GLU 79 N 0.29 0.00 -5.54 1.97 4.81 -1.56 -3.39 114.58 111.17 2q2a h GLU 79 Ca -0.09 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.49 2q2a h GLU 79 Cb 0.59 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 29.77 2q2a h GLU 79 CO 0.13 0.32 -0.66 0.08 -0.73 0.00 0.00 179.01 178.15 2q2a s VAL 80 N -4.30 3.96 -0.31 0.32 1.01 -0.93 -4.93 120.40 115.23 2q2a s VAL 80 Ca -0.03 -0.35 0.22 0.00 0.00 0.00 0.00 61.98 61.82 2q2a s VAL 80 Cb 0.15 -2.71 0.14 0.00 0.00 0.00 0.00 36.38 33.96 2q2a s VAL 80 CO 0.72 0.53 1.31 0.44 0.00 0.00 0.00 175.10 178.09 2q2a h ASP 81 N 6.23 0.00 -4.43 3.32 3.32 -1.25 -3.39 116.42 120.22 2q2a h ASP 81 Ca -0.37 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.74 2q2a h ASP 81 Cb 1.19 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.54 2q2a h ASP 81 CO 0.60 0.09 0.46 -0.32 -1.72 0.00 0.00 179.24 178.35 2q2a s MET 82 N -3.23 0.75 0.01 3.56 0.00 -1.14 -4.31 119.30 114.95 2q2a s MET 82 Ca 0.03 0.03 0.01 0.00 0.00 0.00 0.00 55.69 55.76 2q2a s MET 82 Cb 0.07 0.35 -0.01 0.00 0.00 0.00 0.00 34.83 35.24 2q2a s MET 82 CO 0.74 -0.26 -0.04 0.20 0.00 0.00 0.00 175.02 175.65 2q2a s GLY 83 N -1.52 0.26 -0.05 2.11 0.00 0.02 -1.30 107.32 106.84 2q2a s GLY 83 Ca -0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.31 2q2a s GLY 83 CO -0.00 -0.41 0.01 -1.50 0.00 0.00 0.00 173.10 171.20 2q2a s ILE 84 N -0.72 0.23 -0.11 0.90 2.07 -0.92 -1.10 121.20 121.55 2q2a s ILE 84 Ca -0.06 0.15 0.04 0.00 -1.41 0.00 0.00 60.65 59.37 2q2a s ILE 84 Cb -0.05 -0.37 0.13 0.00 0.13 0.00 0.00 42.46 42.29 2q2a s ILE 84 CO -0.00 0.20 0.94 -0.24 -1.91 0.00 0.00 174.94 173.93 2q2a n SER 85 N 4.74 -0.84 -2.51 4.50 2.88 -1.26 -4.35 113.62 116.78 2q2a n SER 85 Ca -0.14 -1.59 -0.17 0.00 -1.33 0.00 0.00 58.87 55.63 2q2a n SER 85 Cb 0.50 0.33 0.04 0.00 -0.75 0.00 0.00 64.21 64.33 2q2a n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2q2a n GLY 86 N -0.50 -0.18 3.62 0.46 0.00 -1.26 -4.86 105.19 102.46 2q2a n GLY 86 Ca -0.16 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2q2a n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q2a s ILE 87 N -3.11 5.06 0.18 -0.61 1.01 -1.26 -4.98 121.20 117.48 2q2a s ILE 87 Ca 0.32 0.91 -0.30 0.00 0.00 0.00 0.00 60.65 61.57 2q2a s ILE 87 Cb -0.14 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 2q2a s ILE 87 CO 0.39 0.07 1.25 -0.89 0.00 0.00 0.00 174.94 175.77 2q2a s THR 88 N 2.34 3.45 -0.08 2.92 2.01 -1.26 -1.33 115.64 123.69 2q2a s THR 88 Ca 0.22 1.18 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 2q2a s THR 88 Cb -0.16 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2q2a s THR 88 CO 0.09 0.17 1.27 -0.63 -0.69 0.00 0.00 174.62 174.83 2q2a s ILE 89 N 0.15 4.14 0.10 1.82 1.01 0.35 -4.87 121.20 123.90 2q2a s ILE 89 Ca 0.55 1.45 0.04 0.00 0.00 0.00 0.00 60.65 62.69 2q2a s ILE 89 Cb -0.34 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2q2a s ILE 89 CO 0.36 -0.04 -0.11 0.42 0.00 0.00 0.00 174.94 175.57 2q2a s THR 90 N 2.67 1.03 0.15 2.92 -4.23 -1.26 -4.68 115.64 112.23 2q2a s THR 90 Ca 0.58 -1.66 -0.18 0.00 -1.18 0.00 0.00 61.69 59.25 2q2a s THR 90 Cb -0.25 -1.40 0.02 0.00 1.34 0.00 0.00 72.50 72.21 2q2a s THR 90 CO 0.21 -0.53 1.71 0.44 -0.54 0.00 0.00 174.62 175.91 2q2a h ASP 91 N 3.55 -0.11 -0.35 3.99 5.19 -1.99 -0.40 116.42 126.30 2q2a h ASP 91 Ca -0.38 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.12 2q2a h ASP 91 Cb 1.19 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.79 2q2a h ASP 91 CO 0.52 -0.02 0.18 -0.08 -3.12 0.00 0.00 179.24 176.72 2q2a h GLU 92 N 0.10 0.37 -0.72 3.56 4.81 -2.01 -2.48 114.58 118.21 2q2a h GLU 92 Ca 0.15 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2q2a h GLU 92 Cb 0.20 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2q2a h GLU 92 CO -0.25 0.24 0.37 0.00 -0.73 0.00 0.00 179.01 178.64 2q2a h ARG 93 N 0.38 1.02 0.00 1.92 3.08 -1.89 -2.37 114.38 116.52 2q2a h ARG 93 Ca 0.14 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2q2a h ARG 93 Cb 0.04 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 2q2a h ARG 93 CO -0.09 0.77 -0.02 0.87 -1.07 0.00 0.00 179.97 180.43 2q2a h LYS 94 N 1.02 0.00 0.00 0.04 1.57 -0.62 0.58 116.57 119.16 2q2a h LYS 94 Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2q2a h LYS 94 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2q2a h LYS 94 CO -0.04 0.02 -0.05 1.96 -0.57 0.00 0.00 179.45 180.77 2q2a h GLN 95 N 0.00 0.00 0.00 3.15 4.20 -1.11 -3.31 115.11 118.04 2q2a h GLN 95 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2q2a h GLN 95 Cb 0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2q2a h GLN 95 CO 0.00 0.05 -1.23 0.43 -0.67 0.00 0.00 178.83 177.41 2q2a n SER 96 N -4.11 3.86 -4.15 1.46 7.64 -0.28 -5.08 113.62 112.96 2q2a n SER 96 Ca -0.03 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.76 2q2a n SER 96 Cb 0.14 1.21 -0.10 0.00 -1.01 0.00 0.00 64.21 64.44 2q2a n SER 96 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2q2a s TYR 97 N -2.34 0.81 0.13 1.43 2.02 0.04 -4.20 117.35 115.25 2q2a s TYR 97 Ca -0.02 -1.09 0.05 0.00 -0.37 0.00 0.00 57.07 55.64 2q2a s TYR 97 Cb 0.03 -0.49 -0.04 0.00 -0.40 0.00 0.00 41.96 41.06 2q2a s TYR 97 CO 0.21 -0.36 0.08 -0.51 -1.57 0.00 0.00 175.55 173.39 2q2a s ASP 98 N -3.03 5.30 0.13 2.29 1.01 -0.10 -4.24 116.67 118.05 2q2a s ASP 98 Ca 0.16 -0.16 0.08 0.00 0.71 0.00 0.00 52.55 53.35 2q2a s ASP 98 Cb 0.07 -1.33 -0.04 0.00 1.01 0.00 0.00 42.92 42.63 2q2a s ASP 98 CO -0.03 0.11 -0.20 -0.36 0.21 0.00 0.00 175.17 174.91 2q2a s PHE 99 N -1.59 1.83 1.05 4.23 0.08 -1.26 -0.93 117.98 121.39 2q2a s PHE 99 Ca 0.29 -0.44 -0.13 0.00 0.12 0.00 0.00 56.93 56.77 2q2a s PHE 99 Cb -0.11 -0.96 0.21 0.00 -0.57 0.00 0.00 43.02 41.60 2q2a s PHE 99 CO 0.21 0.27 1.09 -1.54 -0.10 0.00 0.00 175.22 175.15 2q2a s SER 100 N -2.28 2.19 0.62 1.36 1.04 0.38 -4.98 113.70 112.03 2q2a s SER 100 Ca 0.11 1.12 -0.18 0.00 0.48 0.00 0.00 55.95 57.48 2q2a s SER 100 Cb -0.08 -1.75 -0.05 0.00 0.10 0.00 0.00 66.02 64.25 2q2a s SER 100 CO 0.05 -3.39 0.90 0.47 0.98 0.00 0.00 173.24 172.25 2q2a n ASP 101 N -4.34 0.46 -4.75 7.02 8.00 -1.26 -4.66 116.55 117.02 2q2a n ASP 101 Ca 0.06 0.77 -0.37 0.00 0.71 0.00 0.00 54.79 55.96 2q2a n ASP 101 Cb 0.57 -1.36 0.03 0.00 -0.02 0.00 0.00 41.12 40.35 2q2a n ASP 101 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2q2a s PRO 102 N -2.75 3.06 0.00 -0.24 0.04 -1.26 -4.60 135.00 129.25 2q2a s PRO 102 Ca 0.75 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2q2a s PRO 102 Cb -0.41 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2q2a s PRO 102 CO 0.48 -1.16 0.31 2.48 0.04 0.00 0.00 177.00 179.15 2q2a n TYR 103 N -1.38 0.00 -3.51 0.56 0.18 -0.18 -4.91 117.16 107.91 2q2a n TYR 103 Ca 0.13 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.75 2q2a n TYR 103 Cb 0.48 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.39 2q2a n TYR 103 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 2q2a s PHE 104 N -0.02 -0.59 0.02 -3.48 5.36 -1.25 -4.97 117.98 113.06 2q2a s PHE 104 Ca 0.00 0.90 0.08 0.00 -0.96 0.00 0.00 56.93 56.95 2q2a s PHE 104 Cb 0.00 0.44 -0.02 0.00 -0.34 0.00 0.00 43.02 43.10 2q2a s PHE 104 CO 0.00 -0.61 -0.24 -2.00 -1.46 0.00 0.00 175.22 170.91 2q2a s GLU 105 N -1.67 1.73 0.32 10.12 2.12 -1.26 -0.88 118.70 129.18 2q2a s GLU 105 Ca -0.07 -0.98 -0.05 0.00 0.36 0.00 0.00 54.97 54.23 2q2a s GLU 105 Cb -0.00 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.58 2q2a s GLU 105 CO 0.04 0.48 0.48 0.00 -0.54 0.00 0.00 175.26 175.72 2q2a s ALA 106 N -0.72 0.53 0.09 6.30 0.00 0.41 -4.98 121.76 123.38 2q2a s ALA 106 Ca 0.10 -1.37 -0.12 0.00 0.00 0.00 0.00 51.96 50.57 2q2a s ALA 106 Cb -0.09 1.12 0.01 0.00 0.00 0.00 0.00 23.12 24.16 2q2a s ALA 106 CO 0.01 -0.80 0.27 -0.08 0.00 0.00 0.00 175.76 175.16 2q2a s THR 107 N -3.22 0.11 0.51 0.00 -1.32 -1.26 -0.97 115.64 109.48 2q2a s THR 107 Ca 0.29 -0.89 -0.20 0.00 -1.21 0.00 0.00 61.69 59.67 2q2a s THR 107 Cb -0.00 -1.19 -0.07 0.00 -1.51 0.00 0.00 72.50 69.72 2q2a s THR 107 CO 0.17 -0.49 1.08 -1.10 -2.21 0.00 0.00 174.62 172.08 2q2a s GLN 108 N -3.54 3.61 0.21 7.08 -1.52 -1.26 -0.33 119.66 123.92 2q2a s GLN 108 Ca 0.02 1.49 -0.01 0.00 -1.95 0.00 0.00 55.36 54.91 2q2a s GLN 108 Cb 0.03 -2.08 -0.04 0.00 -0.22 0.00 0.00 33.01 30.70 2q2a s GLN 108 CO -0.10 -0.61 0.16 0.14 -0.25 0.00 0.00 175.29 174.63 2q2a s VAL 109 N -1.86 0.00 -0.22 1.09 -7.23 -0.01 -4.74 120.40 107.43 2q2a s VAL 109 Ca 0.69 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.83 2q2a s VAL 109 Cb -0.20 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 2q2a s VAL 109 CO 0.24 0.00 0.05 -0.63 -0.31 0.00 0.00 175.10 174.45 2q2a s ILE 110 N -4.08 4.36 -0.20 -0.62 1.01 -0.27 -2.48 121.20 118.92 2q2a s ILE 110 Ca 0.38 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.79 2q2a s ILE 110 Cb 0.06 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 2q2a s ILE 110 CO 0.13 0.39 0.08 -0.22 0.00 0.00 0.00 174.94 175.32 2q2a s LEU 111 N 1.16 3.79 0.13 2.97 2.96 0.91 -0.22 118.68 130.38 2q2a s LEU 111 Ca 0.04 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2q2a s LEU 111 Cb -0.14 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2q2a s LEU 111 CO 0.03 0.12 0.06 0.68 -1.32 0.00 0.00 176.35 175.92 2q2a s VAL 112 N 0.69 0.10 0.45 1.68 -7.23 -0.46 -1.11 120.40 114.52 2q2a s VAL 112 Ca 0.04 -1.90 -0.24 0.00 -1.81 0.00 0.00 61.98 58.07 2q2a s VAL 112 Cb -0.13 -2.03 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 2q2a s VAL 112 CO 0.02 -0.47 1.22 -0.54 -0.31 0.00 0.00 175.10 175.01 2q2a s LYS 113 N -4.04 3.77 0.51 4.82 1.02 -1.26 -0.27 119.74 124.29 2q2a s LYS 113 Ca 0.24 1.92 0.29 0.00 0.02 0.00 0.00 55.97 58.43 2q2a s LYS 113 Cb 0.07 -2.51 1.40 0.00 -0.52 0.00 0.00 37.83 36.28 2q2a s LYS 113 CO 0.02 -0.58 1.87 1.96 -0.92 0.00 0.00 175.35 177.70 2q2a h GLN 114 N 2.21 0.09 0.00 1.68 4.20 -1.47 -0.41 115.11 121.41 2q2a h GLN 114 Ca -0.49 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2q2a h GLN 114 Cb 1.25 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2q2a h GLN 114 CO 0.61 0.06 0.00 0.41 -0.67 0.00 0.00 178.83 179.23 2q2a n GLY 115 N -1.67 -1.02 3.76 3.46 0.00 -1.26 -4.92 105.19 103.54 2q2a n GLY 115 Ca 0.19 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2q2a n GLY 115 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2q2a s SER 116 N -2.46 6.48 0.00 1.61 0.15 -0.16 -4.90 113.70 114.41 2q2a s SER 116 Ca 0.26 2.89 0.26 0.00 0.70 0.00 0.00 55.95 60.05 2q2a s SER 116 Cb 0.16 -2.64 1.27 0.00 -1.71 0.00 0.00 66.02 63.09 2q2a s SER 116 CO 0.35 -0.81 1.86 -0.81 1.20 0.00 0.00 173.24 175.03 2q2a n PRO 117 N 1.50 0.32 -1.71 5.44 -0.04 -1.26 -4.87 135.00 134.38 2q2a n PRO 117 Ca 0.05 0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 2q2a n PRO 117 Cb 0.39 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 2q2a n PRO 117 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2q2a s VAL 118 N -2.62 2.62 -0.08 0.52 1.01 -1.26 -4.90 120.40 115.68 2q2a s VAL 118 Ca 0.23 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.31 2q2a s VAL 118 Cb 0.17 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.44 2q2a s VAL 118 CO 0.40 -0.00 0.16 0.29 0.00 0.00 0.00 175.10 175.95 2q2a n LYS 119 N 5.99 1.64 -3.83 2.72 5.02 -1.26 -5.01 118.16 123.43 2q2a n LYS 119 Ca 0.18 -0.04 -0.06 0.00 -2.02 0.00 0.00 58.31 56.37 2q2a n LYS 119 Cb 0.39 -1.03 -0.01 0.00 -0.02 0.00 0.00 35.03 34.36 2q2a n LYS 119 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2q2a s ASN 120 N -2.33 -0.20 0.33 4.39 2.20 -1.26 -4.87 114.94 113.20 2q2a s ASN 120 Ca -0.01 -0.62 0.02 0.00 -0.94 0.00 0.00 52.86 51.31 2q2a s ASN 120 Cb 0.04 0.67 0.57 0.00 -2.00 0.00 0.00 41.25 40.53 2q2a s ASN 120 CO 0.24 -1.26 1.94 0.00 -2.94 0.00 0.00 177.10 175.07 2q2a h ALA 121 N 2.00 1.43 0.00 3.54 0.00 -1.94 -2.60 119.26 121.69 2q2a h ALA 121 Ca -0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2q2a h ALA 121 Cb 1.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2q2a h ALA 121 CO 0.26 0.45 -0.14 -0.07 0.00 0.00 0.00 179.25 179.75 2q2a h LEU 122 N 0.78 0.00 -1.33 0.00 3.38 -2.01 -1.44 115.31 114.69 2q2a h LEU 122 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2q2a h LEU 122 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2q2a h LEU 122 CO -0.03 0.14 0.00 0.44 0.09 0.00 0.00 178.44 179.08 2q2a h ASP 123 N 0.00 0.00 0.61 -0.43 3.32 -1.88 -2.32 116.42 115.71 2q2a h ASP 123 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2q2a h ASP 123 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2q2a h ASP 123 CO 0.02 0.00 -0.01 0.18 -1.72 0.00 0.00 179.24 177.71 2q2a n LEU 124 N -2.30 0.03 -4.68 1.55 4.77 -0.54 -4.80 117.00 111.03 2q2a n LEU 124 Ca -0.01 0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.83 2q2a n LEU 124 Cb 0.09 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2q2a n LEU 124 CO 0.13 0.01 1.49 0.29 -1.33 0.00 0.00 177.39 177.98 2q2a n LYS 125 N -1.29 2.70 0.00 3.23 5.02 -0.88 -0.43 118.16 126.50 2q2a n LYS 125 Ca 0.13 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.41 2q2a n LYS 125 Cb 0.26 -2.88 0.00 0.00 -0.02 0.00 0.00 35.03 32.39 2q2a n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q2a n GLY 126 N 4.28 2.29 3.92 0.72 0.00 -1.26 -5.04 105.19 110.10 2q2a n GLY 126 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2q2a n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q2a s LYS 127 N -0.39 3.54 -0.08 1.61 -0.14 0.43 -5.08 119.74 119.62 2q2a s LYS 127 Ca 0.00 -0.15 -0.17 0.00 -1.36 0.00 0.00 55.97 54.29 2q2a s LYS 127 Cb 0.00 -2.62 -0.05 0.00 -1.68 0.00 0.00 37.83 33.48 2q2a s LYS 127 CO 0.00 0.12 0.46 0.95 -0.76 0.00 0.00 175.35 176.13 2q2a s THR 128 N -2.29 5.12 -0.10 2.17 -4.23 -1.26 -4.83 115.64 110.22 2q2a s THR 128 Ca 0.42 0.93 0.03 0.00 -1.18 0.00 0.00 61.69 61.90 2q2a s THR 128 Cb -0.10 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2q2a s THR 128 CO 0.35 0.41 -0.21 -0.63 -0.54 0.00 0.00 174.62 174.00 2q2a s ILE 129 N 0.08 1.85 -0.02 2.99 1.01 0.32 -1.02 121.20 126.41 2q2a s ILE 129 Ca 0.25 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 2q2a s ILE 129 Cb -0.16 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 2q2a s ILE 129 CO 0.11 0.51 0.43 -0.83 0.00 0.00 0.00 174.94 175.17 2q2a s GLY 130 N 0.46 2.48 0.06 6.18 0.00 0.36 -0.22 107.32 116.64 2q2a s GLY 130 Ca -0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 44.72 44.34 2q2a s GLY 130 CO 0.07 0.31 -0.00 -1.34 0.00 0.00 0.00 173.10 172.13 2q2a s VAL 131 N -0.71 0.21 0.22 1.40 -7.23 0.06 -2.35 120.40 111.99 2q2a s VAL 131 Ca 0.24 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 2q2a s VAL 131 Cb -0.17 -1.53 -0.08 0.00 0.56 0.00 0.00 36.38 35.16 2q2a s VAL 131 CO 0.13 -0.94 0.97 -1.58 -0.31 0.00 0.00 175.10 173.37 2q2a s GLN 132 N -3.92 4.79 0.30 4.82 0.74 -1.26 -0.61 119.66 124.52 2q2a s GLN 132 Ca 0.08 1.53 -0.29 0.00 0.05 0.00 0.00 55.36 56.73 2q2a s GLN 132 Cb 0.08 -3.29 -0.13 0.00 1.10 0.00 0.00 33.01 30.77 2q2a s GLN 132 CO -0.10 0.40 1.21 -1.71 -0.55 0.00 0.00 175.29 174.54 2q2a n ASN 133 N 1.75 2.22 -3.51 6.67 2.85 0.68 -3.36 115.26 122.55 2q2a n ASN 133 Ca -0.01 1.19 -0.21 0.00 -0.11 0.00 0.00 54.58 55.44 2q2a n ASN 133 Cb 0.47 -1.40 0.08 0.00 1.24 0.00 0.00 39.78 40.17 2q2a n ASN 133 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2q2a n ALA 134 N 0.57 -1.56 -2.51 5.20 0.00 -1.26 -4.92 120.51 116.04 2q2a n ALA 134 Ca 0.08 0.23 -0.24 0.00 0.00 0.00 0.00 53.44 53.51 2q2a n ALA 134 Cb 0.34 -4.35 -0.10 0.00 0.00 0.00 0.00 19.45 15.33 2q2a n ALA 134 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2q2a s THR 135 N -3.33 2.06 0.44 0.00 -4.23 -1.21 -5.02 115.64 104.34 2q2a s THR 135 Ca 0.37 -2.18 0.28 0.00 -1.18 0.00 0.00 61.69 58.97 2q2a s THR 135 Cb -0.16 -2.58 0.30 0.00 1.34 0.00 0.00 72.50 71.40 2q2a s THR 135 CO 0.72 -0.24 2.10 0.71 -0.54 0.00 0.00 174.62 177.38 2q2a h THR 136 N 2.11 0.56 -0.08 3.99 1.35 -1.95 -1.77 112.91 117.13 2q2a h THR 136 Ca -0.41 -0.44 -0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2q2a h THR 136 Cb 1.25 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2q2a h THR 136 CO 0.69 0.10 0.04 1.23 -0.25 0.00 0.00 175.52 177.33 2q2a h GLY 137 N 0.70 0.11 1.00 5.82 0.00 -1.90 -0.96 103.07 107.84 2q2a h GLY 137 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2q2a h GLY 137 CO 0.01 0.05 0.40 -1.61 0.00 0.00 0.00 176.54 175.39 2q2a h GLN 138 N 0.05 0.88 -0.11 4.80 4.15 -1.59 -1.84 115.11 121.45 2q2a h GLN 138 Ca 0.03 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.40 2q2a h GLN 138 Cb 0.05 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 2q2a h GLN 138 CO -0.00 0.62 -0.05 1.49 -1.93 0.00 0.00 178.83 178.96 2q2a h GLU 139 N 0.88 -0.03 -0.73 1.69 4.81 -1.26 -0.92 114.58 119.01 2q2a h GLU 139 Ca 0.23 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.55 2q2a h GLU 139 Cb -0.04 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.28 2q2a h GLU 139 CO -0.04 -0.02 0.38 0.00 -0.73 0.00 0.00 179.01 178.60 2q2a h ALA 140 N 1.07 1.01 -0.16 2.92 0.00 -1.01 0.33 119.26 123.43 2q2a h ALA 140 Ca 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2q2a h ALA 140 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2q2a h ALA 140 CO -0.14 0.00 0.04 0.00 0.00 0.00 0.00 179.25 179.16 2q2a h ALA 141 N 1.42 0.21 -0.52 0.00 0.00 -0.89 -2.26 119.26 117.21 2q2a h ALA 141 Ca 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2q2a h ALA 141 Cb 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2q2a h ALA 141 CO -0.25 -0.16 0.18 0.93 0.00 0.00 0.00 179.25 179.95 2q2a h GLU 142 N 0.06 0.77 -0.51 0.00 5.08 -0.92 -1.05 114.58 118.01 2q2a h GLU 142 Ca 0.05 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2q2a h GLU 142 Cb 0.24 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2q2a h GLU 142 CO -0.00 0.65 0.14 -0.22 -1.00 0.00 0.00 179.01 178.58 2q2a h LYS 143 N 0.75 0.77 0.00 2.33 3.64 -0.77 0.52 116.57 123.82 2q2a h LYS 143 Ca 0.18 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2q2a h LYS 143 Cb 0.19 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2q2a h LYS 143 CO -0.01 0.69 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.55 2q2a h LEU 144 N 0.75 0.20 -0.69 5.20 3.38 -1.04 -3.41 115.31 119.70 2q2a h LEU 144 Ca 0.17 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2q2a h LEU 144 Cb 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2q2a h LEU 144 CO -0.01 0.97 -0.02 0.49 0.09 0.00 0.00 178.44 179.96 2q2a n PHE 145 N -4.52 0.00 0.00 1.13 3.72 -0.43 -5.10 117.46 112.27 2q2a n PHE 145 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2q2a n PHE 145 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2q2a n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2q2a n GLY 146 N 0.41 -1.66 3.78 1.37 0.00 0.18 -4.90 105.19 104.38 2q2a n GLY 146 Ca 0.01 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 2q2a n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q2a s LYS 147 N -2.09 3.10 0.00 1.61 1.02 -1.26 -4.45 119.74 117.67 2q2a s LYS 147 Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.38 2q2a s LYS 147 Cb 0.00 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 2q2a s LYS 147 CO 0.00 -1.01 0.00 0.41 -0.92 0.00 0.00 175.35 173.83 2q2a n GLY 148 N -0.49 1.68 0.26 -3.33 0.00 -1.26 -4.99 105.19 97.07 2q2a n GLY 148 Ca 0.10 -1.29 0.17 0.00 0.00 0.00 0.00 46.02 45.00 2q2a n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q2a h PRO 149 N 0.00 0.00 -0.07 1.61 0.13 -2.00 -2.39 132.00 129.28 2q2a h PRO 149 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2q2a h PRO 149 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2q2a h PRO 149 CO 0.00 0.00 0.10 0.45 -0.23 0.00 0.00 178.00 178.32 2q2a h HIS 150 N 0.00 0.00 -3.59 1.56 3.86 -1.94 -3.39 115.15 111.65 2q2a h HIS 150 Ca 0.00 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.52 2q2a h HIS 150 Cb 0.49 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 28.77 2q2a h HIS 150 CO 0.00 0.00 -0.35 0.42 0.86 0.00 0.00 177.93 178.86 2q2a s ILE 151 N -4.48 5.20 -0.23 2.45 1.01 -0.90 -0.52 121.20 123.73 2q2a s ILE 151 Ca -0.05 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 2q2a s ILE 151 Cb 0.14 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 2q2a s ILE 151 CO 0.49 -0.23 0.18 -0.54 0.00 0.00 0.00 174.94 174.84 2q2a s LYS 152 N 1.89 4.11 -0.18 2.79 -0.14 0.70 -4.89 119.74 124.01 2q2a s LYS 152 Ca 0.09 -0.21 -0.04 0.00 -1.36 0.00 0.00 55.97 54.45 2q2a s LYS 152 Cb -0.18 -3.51 -0.02 0.00 -1.68 0.00 0.00 37.83 32.44 2q2a s LYS 152 CO 0.11 0.10 -0.02 0.15 -0.76 0.00 0.00 175.35 174.93 2q2a s LYS 153 N 0.93 3.61 0.21 1.68 1.02 -1.26 -0.76 119.74 125.17 2q2a s LYS 153 Ca 0.09 -0.53 0.10 0.00 0.02 0.00 0.00 55.97 55.65 2q2a s LYS 153 Cb -0.13 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 2q2a s LYS 153 CO 0.04 0.10 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.34 2q2a s PHE 154 N 0.74 2.45 -0.11 3.18 0.08 0.22 -4.75 117.98 119.79 2q2a s PHE 154 Ca -0.01 -0.29 0.26 0.00 0.12 0.00 0.00 56.93 57.01 2q2a s PHE 154 Cb -0.14 -1.18 0.78 0.00 -0.57 0.00 0.00 43.02 41.91 2q2a s PHE 154 CO 0.02 0.55 1.76 1.49 -0.10 0.00 0.00 175.22 178.94 2q2a h GLU 155 N 2.86 0.00 -5.67 0.44 4.57 -1.95 0.19 114.58 115.02 2q2a h GLU 155 Ca -0.45 0.00 -0.47 0.00 -1.18 0.00 0.00 59.36 57.26 2q2a h GLU 155 Cb 1.22 0.00 -0.19 0.00 -0.16 0.00 0.00 28.75 29.62 2q2a h GLU 155 CO 0.53 0.10 -0.78 0.95 -1.18 0.00 0.00 179.01 178.63 2q2a s THR 156 N -3.43 1.52 0.35 0.32 -4.23 -1.26 -4.59 115.64 104.32 2q2a s THR 156 Ca 0.03 -1.74 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 2q2a s THR 156 Cb 0.08 -1.61 0.15 0.00 1.34 0.00 0.00 72.50 72.46 2q2a s THR 156 CO 0.63 -0.33 1.87 0.74 -0.54 0.00 0.00 174.62 176.99 2q2a h THR 157 N 3.54 1.20 -0.43 3.99 2.02 -1.85 -2.84 112.91 118.55 2q2a h THR 157 Ca -0.41 -0.84 0.09 0.00 0.77 0.00 0.00 66.41 66.02 2q2a h THR 157 Cb 1.20 1.08 -0.09 0.00 -1.74 0.00 0.00 68.15 68.60 2q2a h THR 157 CO 0.49 0.27 -0.21 0.58 0.37 0.00 0.00 175.52 177.02 2q2a h VAL 158 N 0.40 0.38 -0.50 3.16 2.07 -1.96 -1.33 116.25 118.46 2q2a h VAL 158 Ca 0.08 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.51 2q2a h VAL 158 Cb 0.38 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2q2a h VAL 158 CO 0.02 0.00 -0.06 0.58 0.02 0.00 0.00 177.57 178.13 2q2a h VAL 159 N -0.13 1.26 -0.55 2.57 2.07 -1.92 -1.49 116.25 118.05 2q2a h VAL 159 Ca 0.21 -1.14 0.09 0.00 0.82 0.00 0.00 66.70 66.67 2q2a h VAL 159 Cb 0.45 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 2q2a h VAL 159 CO -0.51 0.40 0.17 0.00 0.02 0.00 0.00 177.57 177.65 2q2a h ALA 160 N 1.13 0.67 -0.28 1.67 0.00 -1.21 -0.87 119.26 120.37 2q2a h ALA 160 Ca 0.14 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2q2a h ALA 160 Cb 0.56 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2q2a h ALA 160 CO 0.03 -0.24 -0.27 0.82 0.00 0.00 0.00 179.25 179.59 2q2a h ILE 161 N 0.33 1.27 -0.93 0.00 2.04 -0.75 -2.13 117.51 117.34 2q2a h ILE 161 Ca 0.28 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 2q2a h ILE 161 Cb 0.35 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2q2a h ILE 161 CO -0.31 0.43 0.56 0.24 0.00 0.00 0.00 178.15 179.07 2q2a h MET 162 N 0.49 1.26 0.00 2.37 2.86 -0.50 -0.59 114.93 120.83 2q2a h MET 162 Ca 0.07 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 2q2a h MET 162 Cb 0.72 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2q2a h MET 162 CO 0.06 0.88 -0.32 0.93 1.06 0.00 0.00 176.91 179.52 2q2a h GLU 163 N 1.28 0.00 0.16 1.72 4.39 -0.72 -1.99 114.58 119.42 2q2a h GLU 163 Ca 0.33 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 2q2a h GLU 163 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2q2a h GLU 163 CO -0.06 0.32 -0.07 1.25 -1.16 0.00 0.00 179.01 179.28 2q2a h LEU 164 N 0.00 -0.18 -1.08 1.33 5.85 -0.80 0.46 115.31 120.90 2q2a h LEU 164 Ca -0.00 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.51 2q2a h LEU 164 Cb 0.88 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 2q2a h LEU 164 CO 0.04 0.19 0.62 -0.07 -0.34 0.00 0.00 178.44 178.88 2q2a h LEU 165 N -0.56 0.99 -1.28 2.25 3.38 -0.83 -2.31 115.31 116.95 2q2a h LEU 165 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2q2a h LEU 165 Cb 0.43 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2q2a h LEU 165 CO 0.04 0.65 0.00 -0.46 0.09 0.00 0.00 178.44 178.75 2q2a n ASN 166 N -4.48 1.92 0.00 -0.43 0.23 -0.77 -4.94 115.26 106.79 2q2a n ASN 166 Ca 0.14 -1.75 0.00 0.00 -0.53 0.00 0.00 54.58 52.44 2q2a n ASN 166 Cb 0.17 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 2q2a n ASN 166 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2q2a n GLY 167 N 1.18 0.48 0.22 4.83 0.00 -0.87 -4.94 105.19 106.09 2q2a n GLY 167 Ca 0.16 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.86 2q2a n GLY 167 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2q2a h GLY 168 N 0.00 0.17 -3.63 -0.02 0.00 -0.39 -3.44 103.07 95.77 2q2a h GLY 168 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 47.33 46.85 2q2a h GLY 168 CO 0.00 0.11 -0.74 -1.34 0.00 0.00 0.00 176.54 174.57 2q2a s VAL 169 N -4.47 1.09 -0.22 4.60 -7.23 -0.38 -4.98 120.40 108.82 2q2a s VAL 169 Ca -0.04 -1.68 0.18 0.00 -1.81 0.00 0.00 61.98 58.63 2q2a s VAL 169 Cb 0.15 -1.44 0.07 0.00 0.56 0.00 0.00 36.38 35.72 2q2a s VAL 169 CO 0.74 -0.51 1.28 0.44 -0.31 0.00 0.00 175.10 176.74 2q2a h ASP 170 N 3.52 0.00 -5.00 4.85 3.32 -1.37 -3.40 116.42 118.34 2q2a h ASP 170 Ca -0.38 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2q2a h ASP 170 Cb 1.19 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 2q2a h ASP 170 CO 0.52 0.33 0.20 0.00 -1.72 0.00 0.00 179.24 178.58 2q2a s ALA 171 N -3.07 -1.52 -0.00 3.45 0.00 -1.12 -4.68 121.76 114.81 2q2a s ALA 171 Ca 0.02 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.43 2q2a s ALA 171 Cb 0.08 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 2q2a s ALA 171 CO 0.75 -0.80 -0.26 0.08 0.00 0.00 0.00 175.76 175.53 2q2a s VAL 172 N -3.77 2.06 -0.27 0.00 1.01 -0.27 -0.48 120.40 118.67 2q2a s VAL 172 Ca 0.02 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 60.76 2q2a s VAL 172 Cb -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.64 2q2a s VAL 172 CO -0.10 0.51 0.05 -0.63 0.00 0.00 0.00 175.10 174.92 2q2a s ILE 173 N -0.66 3.82 0.36 2.22 1.01 -0.99 -0.07 121.20 126.89 2q2a s ILE 173 Ca 0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 2q2a s ILE 173 Cb -0.10 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.48 2q2a s ILE 173 CO -0.00 0.19 0.51 0.28 0.00 0.00 0.00 174.94 175.92 2q2a s THR 174 N 1.50 0.00 0.37 2.92 -1.32 -1.03 -4.66 115.64 113.42 2q2a s THR 174 Ca 0.03 -1.56 -0.26 0.00 -1.21 0.00 0.00 61.69 58.69 2q2a s THR 174 Cb -0.16 -2.69 -0.09 0.00 -1.51 0.00 0.00 72.50 68.04 2q2a s THR 174 CO 0.01 0.00 1.18 -1.81 -2.21 0.00 0.00 174.62 171.79 2q2a s ASP 175 N -3.25 6.66 0.25 8.08 1.11 -1.26 -0.83 116.67 127.43 2q2a s ASP 175 Ca 0.30 2.38 -0.04 0.00 0.18 0.00 0.00 52.55 55.37 2q2a s ASP 175 Cb -0.01 -2.62 0.38 0.00 1.07 0.00 0.00 42.92 41.74 2q2a s ASP 175 CO 0.21 -0.58 1.83 -0.55 1.18 0.00 0.00 175.17 177.26 2q2a h ASN 176 N 2.89 0.78 0.58 0.27 -1.07 -0.99 -1.76 115.58 116.28 2q2a h ASN 176 Ca -0.48 0.03 -0.10 0.00 0.07 0.00 0.00 56.30 55.82 2q2a h ASN 176 Cb 1.23 -0.12 -0.01 0.00 -2.07 0.00 0.00 38.32 37.34 2q2a h ASN 176 CO 0.63 0.46 -0.46 0.00 0.07 0.00 0.00 177.43 178.14 2q2a h ALA 177 N 1.44 1.12 -0.05 4.14 0.00 -1.92 0.12 119.26 124.11 2q2a h ALA 177 Ca 0.40 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2q2a h ALA 177 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2q2a h ALA 177 CO -0.22 0.57 -0.19 0.28 0.00 0.00 0.00 179.25 179.70 2q2a h VAL 178 N 0.00 1.45 -0.29 0.00 2.07 -1.60 -1.68 116.25 116.20 2q2a h VAL 178 Ca -0.00 -1.61 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 2q2a h VAL 178 Cb 0.88 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 2q2a h VAL 178 CO 0.06 0.45 0.11 0.00 0.02 0.00 0.00 177.57 178.21 2q2a h ALA 179 N 0.42 0.38 -0.69 1.67 0.00 -1.21 -1.26 119.26 118.56 2q2a h ALA 179 Ca -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2q2a h ALA 179 Cb 0.83 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2q2a h ALA 179 CO 0.04 -0.03 0.28 -0.91 0.00 0.00 0.00 179.25 178.63 2q2a h ASN 180 N 0.32 0.95 -0.56 0.00 2.35 -1.04 -2.02 115.58 115.58 2q2a h ASN 180 Ca 0.10 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 2q2a h ASN 180 Cb 0.18 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2q2a h ASN 180 CO -0.01 0.86 0.20 -0.08 -1.65 0.00 0.00 177.43 176.75 2q2a h GLU 181 N 0.98 0.85 -0.24 0.81 4.57 -1.23 -1.17 114.58 119.15 2q2a h GLU 181 Ca 0.23 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2q2a h GLU 181 Cb 0.20 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2q2a h GLU 181 CO -0.02 0.76 0.13 -0.92 -1.18 0.00 0.00 179.01 177.78 2q2a h TYR 182 N 0.77 0.33 -0.61 0.92 3.20 -0.98 -1.19 116.97 119.42 2q2a h TYR 182 Ca 0.18 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 2q2a h TYR 182 Cb 0.25 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 2q2a h TYR 182 CO 0.01 0.30 0.27 0.28 -1.64 0.00 0.00 178.16 177.39 2q2a h VAL 183 N 0.27 1.22 -0.75 1.81 2.07 -1.22 -1.26 116.25 118.38 2q2a h VAL 183 Ca 0.08 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2q2a h VAL 183 Cb 0.08 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 2q2a h VAL 183 CO -0.01 0.26 0.41 0.11 0.02 0.00 0.00 177.57 178.35 2q2a h LYS 184 N 0.84 1.06 0.00 1.57 1.57 -1.02 -2.90 116.57 117.69 2q2a h LYS 184 Ca 0.21 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2q2a h LYS 184 Cb 0.15 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2q2a h LYS 184 CO -0.02 0.79 -0.27 0.09 -0.57 0.00 0.00 179.45 179.47 2q2a n ASN 185 N -4.44 0.27 -3.08 0.86 3.02 -0.47 -4.41 115.26 107.01 2q2a n ASN 185 Ca 0.07 0.10 -0.20 0.00 -0.03 0.00 0.00 54.58 54.51 2q2a n ASN 185 Cb 0.10 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2q2a n ASN 185 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2q2a n ASN 186 N -1.50 2.01 -0.03 6.41 3.02 -0.49 -4.93 115.26 119.75 2q2a n ASN 186 Ca 0.06 -3.21 0.11 0.00 -0.03 0.00 0.00 54.58 51.51 2q2a n ASN 186 Cb 0.34 -0.60 0.52 0.00 -0.61 0.00 0.00 39.78 39.43 2q2a n ASN 186 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2q2a h PRO 187 N 2.99 0.35 0.00 3.52 0.13 -1.76 -1.25 132.00 135.98 2q2a h PRO 187 Ca 0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2q2a h PRO 187 Cb 0.84 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2q2a h PRO 187 CO 0.60 0.23 0.00 0.09 -0.23 0.00 0.00 178.00 178.70 2q2a n ASN 188 N -4.47 0.65 0.13 1.44 3.02 -1.26 -2.34 115.26 112.43 2q2a n ASN 188 Ca 0.08 0.66 0.13 0.00 -0.03 0.00 0.00 54.58 55.42 2q2a n ASN 188 Cb 0.32 -0.80 0.35 0.00 -0.61 0.00 0.00 39.78 39.04 2q2a n ASN 188 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2q2a h LYS 189 N 0.00 0.00 -6.07 3.52 1.79 -1.62 -3.48 116.57 110.71 2q2a h LYS 189 Ca 0.00 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.07 2q2a h LYS 189 Cb 0.36 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.10 2q2a h LYS 189 CO 0.00 0.00 -0.89 1.63 -1.08 0.00 0.00 179.45 179.11 2q2a n LYS 190 N -2.47 -2.51 -3.98 3.15 5.02 -0.99 -4.89 118.16 111.49 2q2a n LYS 190 Ca 0.05 0.57 -0.22 0.00 -2.02 0.00 0.00 58.31 56.69 2q2a n LYS 190 Cb 0.45 -4.74 -0.05 0.00 -0.02 0.00 0.00 35.03 30.67 2q2a n LYS 190 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2q2a s LEU 191 N -6.36 3.35 0.05 -0.35 1.43 -1.26 -1.29 118.68 114.25 2q2a s LEU 191 Ca 0.32 -0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2q2a s LEU 191 Cb -0.09 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 2q2a s LEU 191 CO 0.83 -0.36 0.08 0.00 0.23 0.00 0.00 176.35 177.12 2q2a s GLN 192 N -3.91 0.65 -0.16 1.70 -2.07 0.63 -4.68 119.66 111.81 2q2a s GLN 192 Ca 0.40 -0.94 -0.05 0.00 -1.82 0.00 0.00 55.36 52.95 2q2a s GLN 192 Cb -0.03 0.25 -0.03 0.00 -1.09 0.00 0.00 33.01 32.11 2q2a s GLN 192 CO 0.24 -0.16 -0.00 0.08 -1.32 0.00 0.00 175.29 174.13 2q2a s VAL 193 N -3.27 4.21 -0.23 3.63 1.01 -1.26 -1.35 120.40 123.13 2q2a s VAL 193 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2q2a s VAL 193 Cb 0.03 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2q2a s VAL 193 CO -0.08 0.48 -0.04 -0.63 0.00 0.00 0.00 175.10 174.84 2q2a s ILE 194 N 0.34 3.31 -0.02 2.22 -1.09 0.69 -4.99 121.20 121.66 2q2a s ILE 194 Ca -0.02 -0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 57.73 2q2a s ILE 194 Cb -0.13 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 2q2a s ILE 194 CO 0.02 0.35 0.22 -1.61 -1.23 0.00 0.00 174.94 172.70 2q2a s GLU 195 N 1.45 3.52 -0.41 2.79 2.02 -1.26 -1.11 118.70 125.71 2q2a s GLU 195 Ca 0.05 -0.14 0.03 0.00 0.02 0.00 0.00 54.97 54.93 2q2a s GLU 195 Cb -0.15 -3.11 0.16 0.00 0.10 0.00 0.00 34.13 31.13 2q2a s GLU 195 CO -0.03 0.68 0.32 0.34 0.02 0.00 0.00 175.26 176.59 2q2a s ASP 196 N -1.61 1.84 0.53 -0.19 -1.08 -1.26 -4.90 116.67 110.00 2q2a s ASP 196 Ca 0.25 -2.90 0.28 0.00 -0.52 0.00 0.00 52.55 49.66 2q2a s ASP 196 Cb -0.13 -0.46 1.50 0.00 -1.46 0.00 0.00 42.92 42.37 2q2a s ASP 196 CO 0.14 -0.20 2.09 1.55 0.52 0.00 0.00 175.17 179.28 2q2a h PRO 197 N 5.93 0.00 -0.57 4.34 0.13 -1.94 -1.95 132.00 137.94 2q2a h PRO 197 Ca 0.22 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.24 2q2a h PRO 197 Cb 0.92 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.03 2q2a h PRO 197 CO 0.36 0.10 -0.06 -0.22 -0.23 0.00 0.00 178.00 177.95 2q2a h LYS 198 N 0.00 1.05 0.12 0.86 3.64 -2.02 -3.35 116.57 116.86 2q2a h LYS 198 Ca -0.00 -0.37 -0.30 0.00 -1.27 0.00 0.00 60.65 58.71 2q2a h LYS 198 Cb 0.31 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2q2a h LYS 198 CO 0.01 1.06 -1.56 -0.97 -2.27 0.00 0.00 179.45 175.72 2q2a h ASN 199 N 0.93 0.39 -2.99 4.20 -0.73 -1.91 -3.47 115.58 112.00 2q2a h ASN 199 Ca 0.15 -0.86 -0.62 0.00 1.87 0.00 0.00 56.30 56.84 2q2a h ASN 199 Cb 0.63 -0.13 -0.07 0.00 0.27 0.00 0.00 38.32 39.02 2q2a h ASN 199 CO 0.04 1.68 -0.32 -0.36 -0.37 0.00 0.00 177.43 178.10 2q2a s PHE 200 N -2.50 3.61 0.64 0.67 0.08 -0.76 -5.08 117.98 114.63 2q2a s PHE 200 Ca -0.21 0.73 -0.11 0.00 0.12 0.00 0.00 56.93 57.47 2q2a s PHE 200 Cb 0.05 -2.20 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 2q2a s PHE 200 CO 0.76 0.55 1.04 0.00 -0.10 0.00 0.00 175.22 177.47 2q2a s ALA 201 N -0.58 3.06 0.33 5.36 0.00 -1.26 -4.72 121.76 123.95 2q2a s ALA 201 Ca 0.19 -0.13 -0.28 0.00 0.00 0.00 0.00 51.96 51.74 2q2a s ALA 201 Cb -0.14 -3.07 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 2q2a s ALA 201 CO 0.08 -0.77 1.24 -1.12 0.00 0.00 0.00 175.76 175.18 2q2a s SER 202 N -4.20 6.84 0.02 0.00 0.01 -1.26 -4.43 113.70 110.67 2q2a s SER 202 Ca 0.56 2.54 0.04 0.00 1.31 0.00 0.00 55.95 60.40 2q2a s SER 202 Cb -0.11 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 2q2a s SER 202 CO 0.54 -0.47 -0.13 -1.61 0.41 0.00 0.00 173.24 171.98 2q2a s GLU 203 N -1.80 0.93 -0.03 12.44 2.02 -0.14 -5.00 118.70 127.11 2q2a s GLU 203 Ca 0.49 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.95 2q2a s GLU 203 Cb -0.37 -0.91 -0.01 0.00 0.10 0.00 0.00 34.13 32.94 2q2a s GLU 203 CO 0.48 0.24 -0.22 0.71 0.02 0.00 0.00 175.26 176.48 2q2a s TYR 204 N -0.60 2.06 0.15 1.61 2.02 -1.26 -0.45 117.35 120.88 2q2a s TYR 204 Ca 0.02 -0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 56.15 2q2a s TYR 204 Cb -0.06 -1.34 -0.07 0.00 -0.40 0.00 0.00 41.96 40.09 2q2a s TYR 204 CO 0.00 -0.08 0.51 0.71 -1.57 0.00 0.00 175.55 175.12 2q2a s TYR 205 N -0.39 3.56 0.06 2.71 2.02 -0.06 -0.49 117.35 124.76 2q2a s TYR 205 Ca 0.05 0.95 0.01 0.00 -0.37 0.00 0.00 57.07 57.71 2q2a s TYR 205 Cb -0.10 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.13 2q2a s TYR 205 CO 0.00 0.41 -0.05 0.20 -1.57 0.00 0.00 175.55 174.54 2q2a s GLY 206 N -1.88 0.57 0.49 0.71 0.00 -0.44 -1.01 107.32 105.75 2q2a s GLY 206 Ca 0.39 -1.11 -0.21 0.00 0.00 0.00 0.00 44.72 43.79 2q2a s GLY 206 CO 0.19 -1.20 1.10 1.06 0.00 0.00 0.00 173.10 174.25 2q2a s MET 207 N -3.17 3.67 0.13 2.90 -1.94 -1.26 -4.39 119.30 115.24 2q2a s MET 207 Ca 0.03 1.55 0.10 0.00 -1.71 0.00 0.00 55.69 55.67 2q2a s MET 207 Cb 0.01 -2.17 -0.04 0.00 2.01 0.00 0.00 34.83 34.64 2q2a s MET 207 CO -0.05 -0.58 -0.24 -1.50 -0.01 0.00 0.00 175.02 172.64 2q2a s ILE 208 N -1.78 2.45 0.02 2.53 2.07 -0.26 -0.47 121.20 125.76 2q2a s ILE 208 Ca 0.68 -1.68 -0.07 0.00 -1.41 0.00 0.00 60.65 58.17 2q2a s ILE 208 Cb -0.22 -2.10 -0.00 0.00 0.13 0.00 0.00 42.46 40.27 2q2a s ILE 208 CO 0.26 0.09 0.12 -0.36 -1.91 0.00 0.00 174.94 173.14 2q2a s PHE 209 N -1.10 0.10 0.65 3.50 0.08 -0.10 -0.80 117.98 120.30 2q2a s PHE 209 Ca 0.15 -0.27 -0.18 0.00 0.12 0.00 0.00 56.93 56.76 2q2a s PHE 209 Cb -0.10 -0.08 -0.02 0.00 -0.57 0.00 0.00 43.02 42.25 2q2a s PHE 209 CO 0.07 -0.31 1.13 -2.30 -0.10 0.00 0.00 175.22 173.71 2q2a n PRO 210 N 1.22 0.92 -1.76 0.24 -0.02 -1.26 -0.92 135.00 133.43 2q2a n PRO 210 Ca -0.22 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 2q2a n PRO 210 Cb 0.56 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 2q2a n PRO 210 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2q2a n LYS 211 N -1.63 2.34 -1.85 -0.52 4.81 -1.26 -2.22 118.16 117.83 2q2a n LYS 211 Ca 0.15 0.83 -0.15 0.00 -0.87 0.00 0.00 58.31 58.27 2q2a n LYS 211 Cb 0.48 -2.60 -0.04 0.00 0.02 0.00 0.00 35.03 32.90 2q2a n LYS 211 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2q2a n ASN 212 N 0.11 -4.63 -4.76 3.14 3.02 -1.26 -4.98 115.26 105.90 2q2a n ASN 212 Ca 0.04 0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 2q2a n ASN 212 Cb 0.40 -3.60 -0.02 0.00 -0.61 0.00 0.00 39.78 35.94 2q2a n ASN 212 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2q2a s SER 213 N -2.59 6.75 0.00 6.41 0.15 -0.94 -4.91 113.70 118.56 2q2a s SER 213 Ca 0.00 2.65 0.27 0.00 0.70 0.00 0.00 55.95 59.57 2q2a s SER 213 Cb 0.00 -2.64 1.36 0.00 -1.71 0.00 0.00 66.02 63.03 2q2a s SER 213 CO 0.00 -0.59 1.92 -0.62 1.20 0.00 0.00 173.24 175.16 2q2a n GLU 214 N 1.48 0.38 0.08 5.44 1.02 -1.26 -3.56 120.64 124.22 2q2a n GLU 214 Ca 0.03 0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.10 2q2a n GLU 214 Cb 0.41 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.26 2q2a n GLU 214 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2q2a h LEU 215 N 0.00 0.20 -0.41 -4.62 3.38 -1.94 -3.39 115.31 108.54 2q2a h LEU 215 Ca 0.00 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.86 2q2a h LEU 215 Cb 0.26 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 2q2a h LEU 215 CO 0.00 1.09 -0.13 0.50 0.09 0.00 0.00 178.44 179.99 2q2a h LYS 216 N 0.06 -0.04 -0.68 1.13 3.64 -1.97 0.02 116.57 118.73 2q2a h LYS 216 Ca -0.06 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2q2a h LYS 216 Cb 1.71 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.51 2q2a h LYS 216 CO 0.15 -0.03 0.23 0.00 -2.27 0.00 0.00 179.45 177.53 2q2a h ALA 217 N 1.33 1.12 -0.52 5.00 0.00 -1.83 0.14 119.26 124.51 2q2a h ALA 217 Ca 0.20 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2q2a h ALA 217 Cb 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2q2a h ALA 217 CO -0.44 0.61 -0.07 0.87 0.00 0.00 0.00 179.25 180.21 2q2a h LYS 218 N 0.99 0.95 -0.23 0.00 1.57 -1.52 -1.81 116.57 116.53 2q2a h LYS 218 Ca 0.22 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 2q2a h LYS 218 Cb 0.26 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2q2a h LYS 218 CO -0.01 0.98 -0.27 0.28 -0.57 0.00 0.00 179.45 179.86 2q2a h VAL 219 N 0.86 1.32 -0.73 0.50 2.07 -0.52 -1.51 116.25 118.24 2q2a h VAL 219 Ca 0.14 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.25 2q2a h VAL 219 Cb 0.61 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 2q2a h VAL 219 CO 0.04 0.45 0.46 0.44 0.02 0.00 0.00 177.57 178.98 2q2a h ASP 220 N 0.29 0.75 -0.38 0.57 3.32 -0.63 0.17 116.42 120.51 2q2a h ASP 220 Ca 0.03 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 2q2a h ASP 220 Cb 0.84 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2q2a h ASP 220 CO 0.06 0.51 -0.06 -0.08 -1.72 0.00 0.00 179.24 177.96 2q2a h GLU 221 N 0.89 0.71 -0.67 3.56 4.57 -1.28 -2.28 114.58 120.07 2q2a h GLU 221 Ca 0.30 -0.25 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 2q2a h GLU 221 Cb 0.04 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 2q2a h GLU 221 CO -0.12 0.84 0.22 0.00 -1.18 0.00 0.00 179.01 178.77 2q2a h ALA 222 N 0.85 0.88 -0.53 2.92 0.00 -1.00 -1.51 119.26 120.87 2q2a h ALA 222 Ca 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2q2a h ALA 222 Cb 0.55 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2q2a h ALA 222 CO 0.03 0.54 0.34 1.25 0.00 0.00 0.00 179.25 181.41 2q2a h LEU 223 N 0.97 0.57 -0.54 0.00 5.85 -0.58 -0.97 115.31 120.61 2q2a h LEU 223 Ca 0.22 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.98 2q2a h LEU 223 Cb 0.28 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2q2a h LEU 223 CO -0.01 0.41 0.27 0.11 -0.34 0.00 0.00 178.44 178.89 2q2a h LYS 224 N 0.68 0.51 -0.49 1.25 1.57 -1.14 -0.48 116.57 118.47 2q2a h LYS 224 Ca 0.20 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 2q2a h LYS 224 Cb -0.05 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.08 2q2a h LYS 224 CO -0.06 0.34 0.14 -0.97 -0.57 0.00 0.00 179.45 178.33 2q2a h ASN 225 N 0.52 0.10 -0.41 0.86 -0.73 -0.78 0.15 115.58 115.30 2q2a h ASN 225 Ca 0.24 0.07 -0.12 0.00 1.87 0.00 0.00 56.30 58.36 2q2a h ASN 225 Cb 0.16 0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 2q2a h ASN 225 CO -0.17 0.08 -0.22 0.58 -0.37 0.00 0.00 177.43 177.32 2q2a h VAL 226 N 0.29 1.28 -0.11 2.57 2.07 -0.94 -1.65 116.25 119.76 2q2a h VAL 226 Ca 0.24 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 2q2a h VAL 226 Cb 0.28 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2q2a h VAL 226 CO -0.28 0.46 0.03 0.40 0.02 0.00 0.00 177.57 178.21 2q2a h ILE 227 N 0.70 1.19 -0.17 4.57 2.04 -0.89 -1.42 117.51 123.52 2q2a h ILE 227 Ca 0.09 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 2q2a h ILE 227 Cb 0.79 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2q2a h ILE 227 CO 0.07 0.17 -0.05 0.78 0.00 0.00 0.00 178.15 179.11 2q2a h ASN 228 N -0.02 0.24 1.58 1.72 2.35 -0.53 -2.66 115.58 118.26 2q2a h ASN 228 Ca 0.03 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2q2a h ASN 228 Cb 0.23 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2q2a h ASN 228 CO -0.00 0.33 -0.01 0.77 -1.65 0.00 0.00 177.43 176.86 2q2a h SER 229 N 0.25 0.00 0.00 5.81 4.64 -1.36 -3.47 113.55 119.42 2q2a h SER 229 Ca 0.06 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2q2a h SER 229 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2q2a h SER 229 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2q2a n GLY 230 N 1.26 0.24 0.21 -0.77 0.00 -1.00 -4.98 105.19 100.16 2q2a n GLY 230 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2q2a n GLY 230 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2q2a h LYS 231 N 4.46 0.69 -0.50 1.61 1.63 -1.67 -1.78 116.57 121.01 2q2a h LYS 231 Ca 0.00 -0.20 0.09 0.00 -0.85 0.00 0.00 60.65 59.70 2q2a h LYS 231 Cb 0.00 -0.08 -0.08 0.00 -0.60 0.00 0.00 32.23 31.48 2q2a h LYS 231 CO 0.00 0.75 0.06 -0.92 -3.45 0.00 0.00 179.45 175.88 2q2a h TYR 232 N 0.54 0.08 -0.44 1.91 3.20 -1.54 -1.35 116.97 119.37 2q2a h TYR 232 Ca 0.12 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 2q2a h TYR 232 Cb 0.40 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 2q2a h TYR 232 CO 0.03 -0.05 -0.00 1.15 -1.64 0.00 0.00 178.16 177.64 2q2a h THR 233 N 0.18 1.23 -0.34 1.81 2.02 -1.74 -0.36 112.91 115.71 2q2a h THR 233 Ca 0.25 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 2q2a h THR 233 Cb 0.36 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2q2a h THR 233 CO -0.37 0.33 0.09 -0.33 0.37 0.00 0.00 175.52 175.61 2q2a h GLU 234 N 0.67 0.54 -0.59 6.66 5.08 -0.74 -0.78 114.58 125.41 2q2a h GLU 234 Ca 0.13 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2q2a h GLU 234 Cb 0.42 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2q2a h GLU 234 CO 0.02 0.58 0.38 0.82 -1.00 0.00 0.00 179.01 179.81 2q2a h ILE 235 N 0.39 1.11 -0.46 3.13 2.04 -0.87 -1.24 117.51 121.61 2q2a h ILE 235 Ca 0.11 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2q2a h ILE 235 Cb 0.28 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2q2a h ILE 235 CO -0.00 0.14 0.25 0.22 0.00 0.00 0.00 178.15 178.76 2q2a h TYR 236 N 0.76 0.62 -0.47 1.37 3.20 -0.94 -2.63 116.97 118.89 2q2a h TYR 236 Ca 0.23 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2q2a h TYR 236 Cb -0.04 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 2q2a h TYR 236 CO -0.04 0.47 -0.01 0.87 -1.64 0.00 0.00 178.16 177.81 2q2a h LYS 237 N 0.60 0.78 -0.36 1.82 1.57 -0.90 0.21 116.57 120.30 2q2a h LYS 237 Ca 0.16 -0.21 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2q2a h LYS 237 Cb 0.05 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 2q2a h LYS 237 CO -0.03 0.79 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.31 2q2a h LYS 238 N 0.73 -0.04 0.00 3.15 3.64 -0.96 -0.53 116.57 122.56 2q2a h LYS 238 Ca 0.14 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.29 2q2a h LYS 238 Cb 0.46 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2q2a h LYS 238 CO 0.02 -0.03 -1.42 -1.49 -2.27 0.00 0.00 179.45 174.26 2q2a h TRP 239 N -0.05 0.00 -0.00 1.91 4.06 -1.24 -3.40 115.95 117.23 2q2a h TRP 239 Ca 0.18 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.13 2q2a h TRP 239 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 2q2a h TRP 239 CO -0.35 0.85 -0.12 1.19 -3.56 0.00 0.00 178.44 176.44 2q2a n PHE 240 N -3.06 0.00 -1.17 0.49 3.72 0.73 -5.03 117.46 113.14 2q2a n PHE 240 Ca -0.11 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.23 2q2a n PHE 240 Cb 0.95 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.47 2q2a n PHE 240 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2q2a n GLY 241 N 1.00 0.79 3.32 1.37 0.00 -0.21 -4.96 105.19 106.49 2q2a n GLY 241 Ca 0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2q2a n GLY 241 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q2a s LYS 242 N -2.08 1.07 0.27 1.61 -2.85 -1.26 -5.05 119.74 111.45 2q2a s LYS 242 Ca 0.00 -0.89 -0.29 0.00 -1.00 0.00 0.00 55.97 53.78 2q2a s LYS 242 Cb 0.00 0.42 -0.10 0.00 -2.06 0.00 0.00 37.83 36.10 2q2a s LYS 242 CO 0.00 -0.40 1.32 -1.21 0.10 0.00 0.00 175.35 175.16 2q2a s GLU 243 N -3.86 4.36 0.69 1.78 0.41 -1.26 -4.16 118.70 116.66 2q2a s GLU 243 Ca 0.07 2.17 -0.13 0.00 -0.41 0.00 0.00 54.97 56.67 2q2a s GLU 243 Cb 0.03 -3.12 0.02 0.00 -1.78 0.00 0.00 34.13 29.27 2q2a s GLU 243 CO -0.08 -0.23 1.09 -1.25 -0.49 0.00 0.00 175.26 174.30 2q2a s PRO 244 N -0.99 2.70 -0.71 0.39 0.04 -1.26 -5.01 135.00 130.15 2q2a s PRO 244 Ca 0.53 1.24 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 2q2a s PRO 244 Cb -0.39 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.39 2q2a s PRO 244 CO 0.46 -1.31 0.64 0.15 0.04 0.00 0.00 177.00 176.98 2q2a s LYS 245 N -4.48 3.27 0.65 4.56 1.02 -1.26 -4.95 119.74 118.55 2q2a s LYS 245 Ca 0.63 -2.23 0.40 0.00 0.02 0.00 0.00 55.97 54.79 2q2a s LYS 245 Cb -0.18 -4.30 2.21 0.00 -0.52 0.00 0.00 37.83 35.05 2q2a s LYS 245 CO 0.47 -1.28 2.31 -0.07 -0.92 0.00 0.00 175.35 175.86 2q2a h LEU 246 N 8.04 0.00 -1.56 3.17 3.38 -2.03 -1.84 115.31 124.47 2q2a h LEU 246 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2q2a h LEU 246 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2q2a h LEU 246 CO 0.83 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 177.12 2q2a h ASP 247 N 0.00 0.00 0.70 -0.43 3.04 -1.99 -0.94 116.42 116.80 2q2a h ASP 247 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2q2a h ASP 247 Cb 0.07 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 2q2a h ASP 247 CO -0.00 0.00 0.00 0.03 -2.04 0.00 0.00 179.24 177.23 2q2a h ARG 248 N 0.00 0.00 -0.01 4.15 3.08 -1.77 -2.91 114.38 116.92 2q2a h ARG 248 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2q2a h ARG 248 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2q2a h ARG 248 CO 0.00 0.00 -0.08 1.28 -1.07 0.00 0.00 179.97 180.10 2q2a n LEU 249 N -3.04 1.27 -0.19 3.04 4.77 -0.36 -3.98 117.00 118.51 2q2a n LEU 249 Ca -0.00 -0.39 0.09 0.00 -0.03 0.00 0.00 56.01 55.68 2q2a n LEU 249 Cb 0.23 -0.04 0.16 0.00 -2.33 0.00 0.00 43.42 41.43 2q2a n LEU 249 CO 0.25 0.22 0.56 0.29 -1.33 0.00 0.00 177.39 177.37 2q2a n LYS 250 N -0.15 1.43 0.00 3.23 4.76 -1.10 -4.70 118.16 121.63 2q2a n LYS 250 Ca 0.17 -2.68 0.11 0.00 -2.87 0.00 0.00 58.31 53.05 2q2a n LYS 250 Cb 0.34 -1.54 0.67 0.00 -1.84 0.00 0.00 35.03 32.66 2q2a n LYS 250 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07