#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 3.51 0.00 -3.46 7.64 -1.26 -1.45 113.62 118.60 2q2a n SER 12 Ca 0.00 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2q2a n SER 12 Cb 0.00 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.63 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 0.93 1.84 1.82 0.23 0.00 -1.26 -5.02 105.19 103.73 2q2a n GLY 13 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 3.54 1.54 -0.02 0.00 -0.53 -5.06 105.19 102.66 2q2a n GLY 14 Ca 0.00 -1.93 0.08 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.98 4.94 -2.35 1.61 5.75 -1.26 -4.54 116.55 118.72 2q2a n ASP 15 Ca -0.00 -2.74 -0.12 0.00 -0.01 0.00 0.00 54.79 51.92 2q2a n ASP 15 Cb 0.34 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 39.82 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 0.58 -0.35 1.26 6.12 0.00 -1.26 -1.91 105.19 109.62 2q2a n GLY 16 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.76 0.63 0.33 -0.02 0.00 -1.26 -4.84 105.19 99.28 2q2a n GLY 17 Ca -0.15 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 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 1.09 -3.63 4.61 0.00 -1.81 -3.41 119.26 116.11 2q2a h ALA 18 Ca 0.00 -0.20 -0.33 0.00 0.00 0.00 0.00 54.91 54.37 2q2a h ALA 18 Cb 0.00 -0.28 -0.32 0.00 0.00 0.00 0.00 17.79 17.19 2q2a h ALA 18 CO 0.00 0.63 -0.75 0.99 0.00 0.00 0.00 179.25 180.12 2q2a s THR 19 N -5.43 0.26 -0.02 0.00 2.01 -1.26 -5.12 115.64 106.09 2q2a s THR 19 Ca -0.12 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 2q2a s THR 19 Cb 0.16 -0.30 -0.06 0.00 0.01 0.00 0.00 72.50 72.31 2q2a s THR 19 CO 0.83 0.13 1.48 -0.75 -0.69 0.00 0.00 174.62 175.62 2q2a s LYS 20 N 0.58 4.24 0.59 4.92 2.20 -1.26 -4.98 119.74 126.03 2q2a s LYS 20 Ca -0.06 2.04 -0.17 0.00 -0.36 0.00 0.00 55.97 57.42 2q2a s LYS 20 Cb -0.09 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 2q2a s LYS 20 CO -0.01 -0.67 1.12 -1.59 -0.36 0.00 0.00 175.35 173.83 2q2a s LYS 21 N 2.91 3.13 0.33 4.03 -2.85 -1.26 -5.02 119.74 121.01 2q2a s LYS 21 Ca 0.67 1.49 -0.20 0.00 -1.00 0.00 0.00 55.97 56.92 2q2a s LYS 21 Cb -0.32 -1.99 -0.10 0.00 -2.06 0.00 0.00 37.83 33.37 2q2a s LYS 21 CO 0.27 -1.00 0.84 0.15 0.10 0.00 0.00 175.35 175.70 2q2a s LYS 22 N -3.66 4.26 0.19 1.78 1.02 -1.26 -4.92 119.74 117.14 2q2a s LYS 22 Ca 0.70 0.99 -0.31 0.00 0.02 0.00 0.00 55.97 57.37 2q2a s LYS 22 Cb -0.22 -2.56 -0.09 0.00 -0.52 0.00 0.00 37.83 34.44 2q2a s LYS 22 CO 0.33 0.19 1.45 0.08 -0.92 0.00 0.00 175.35 176.48 2q2a s VAL 23 N -1.84 2.86 -0.40 3.17 1.01 -0.33 -4.83 120.40 120.03 2q2a s VAL 23 Ca 0.53 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.00 2q2a s VAL 23 Cb -0.13 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.84 2q2a s VAL 23 CO 0.19 0.08 0.40 -0.69 0.00 0.00 0.00 175.10 175.08 2q2a s VAL 24 N 0.56 5.13 -0.17 2.92 1.01 -1.26 -0.71 120.40 127.87 2q2a s VAL 24 Ca 0.63 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 2q2a s VAL 24 Cb -0.41 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2q2a s VAL 24 CO 0.36 -0.33 -0.01 -0.69 0.00 0.00 0.00 175.10 174.44 2q2a s VAL 25 N 2.06 4.04 0.09 2.92 1.01 -0.12 -1.07 120.40 129.33 2q2a s VAL 25 Ca 0.11 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2q2a s VAL 25 Cb -0.17 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2q2a s VAL 25 CO 0.13 0.47 0.06 -0.83 0.00 0.00 0.00 175.10 174.92 2q2a s GLY 26 N 0.57 1.97 0.19 4.51 0.00 -0.38 0.17 107.32 114.35 2q2a s GLY 26 Ca -0.01 -1.06 -0.11 0.00 0.00 0.00 0.00 44.72 43.54 2q2a s GLY 26 CO 0.02 -1.04 0.37 -1.08 0.00 0.00 0.00 173.10 171.37 2q2a s THR 27 N -1.39 0.04 -0.56 0.90 -1.32 -0.29 -2.16 115.64 110.85 2q2a s THR 27 Ca 0.28 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 2q2a s THR 27 Cb -0.12 -1.92 0.14 0.00 -1.51 0.00 0.00 72.50 69.09 2q2a s THR 27 CO 0.21 -0.17 0.34 -0.62 -2.21 0.00 0.00 174.62 172.17 2q2a s ASP 28 N -2.97 4.85 -1.48 8.08 2.15 -1.26 -1.12 116.67 124.91 2q2a s ASP 28 Ca 0.18 -2.86 -0.12 0.00 0.43 0.00 0.00 52.55 50.18 2q2a s ASP 28 Cb 0.02 -1.76 0.02 0.00 -0.30 0.00 0.00 42.92 40.90 2q2a s ASP 28 CO 0.03 -0.32 2.39 0.00 -0.17 0.00 0.00 175.17 177.09 2q2a n ALA 29 N 3.40 6.09 -2.69 3.66 0.00 -1.26 -4.05 120.51 125.66 2q2a n ALA 29 Ca 0.06 -3.84 -0.07 0.00 0.00 0.00 0.00 53.44 49.59 2q2a n ALA 29 Cb 0.36 -3.42 0.08 0.00 0.00 0.00 0.00 19.45 16.47 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 5.11 2.25 -2.77 0.00 0.00 -1.11 -3.86 120.51 120.13 2q2a n ALA 30 Ca 0.58 -2.10 -0.09 0.00 0.00 0.00 0.00 53.44 51.82 2q2a n ALA 30 Cb 0.34 -0.97 0.07 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.40 -1.48 -1.74 0.00 -0.00 0.44 -4.11 117.46 110.18 2q2a n PHE 31 Ca 0.02 -2.42 -0.41 0.00 -0.00 0.00 0.00 57.45 54.63 2q2a n PHE 31 Cb 0.84 0.93 0.00 0.00 -0.00 0.00 0.00 39.48 41.25 2q2a n PHE 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2q2a n ALA 32 N -0.11 1.82 0.78 3.13 0.00 -1.15 -1.10 120.51 123.88 2q2a n ALA 32 Ca 0.06 0.33 0.08 0.00 0.00 0.00 0.00 53.44 53.91 2q2a n ALA 32 Cb 0.78 -2.34 0.24 0.00 0.00 0.00 0.00 19.45 18.13 2q2a n ALA 32 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2q2a n PRO 33 N 0.35 1.95 -0.05 0.00 -0.04 -1.26 -4.36 135.00 131.59 2q2a n PRO 33 Ca 0.04 -1.46 -0.15 0.00 -0.04 0.00 0.00 63.50 61.89 2q2a n PRO 33 Cb 0.38 -1.36 -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 2.53 0.07 -2.77 0.54 0.04 -1.44 0.14 116.94 116.05 2q2a h PHE 34 Ca 0.00 -0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.59 2q2a h PHE 34 Cb 0.57 -0.00 -0.27 0.00 2.20 0.00 0.00 35.95 38.45 2q2a h PHE 34 CO 0.23 0.98 -0.34 -1.83 -0.60 0.00 0.00 178.31 176.75 2q2a s GLU 35 N -2.49 0.36 0.33 1.51 1.03 -1.03 -1.18 118.70 117.24 2q2a s GLU 35 Ca -0.18 0.67 -0.18 0.00 0.03 0.00 0.00 54.97 55.31 2q2a s GLU 35 Cb -0.02 0.00 0.04 0.00 -0.80 0.00 0.00 34.13 33.35 2q2a s GLU 35 CO 0.70 -0.14 0.75 1.52 -1.33 0.00 0.00 175.26 176.77 2q2a s TYR 36 N 1.11 -0.02 -0.12 4.83 -0.85 -0.08 -0.42 117.35 121.81 2q2a s TYR 36 Ca -0.07 -0.55 -0.06 0.00 -0.52 0.00 0.00 57.07 55.87 2q2a s TYR 36 Cb -0.08 0.76 -0.04 0.00 0.38 0.00 0.00 41.96 42.99 2q2a s TYR 36 CO -0.09 -1.40 0.09 -1.64 -1.52 0.00 0.00 175.55 170.99 2q2a s MET 37 N -3.11 3.43 -0.18 -3.49 -1.94 -1.25 -0.43 119.30 112.32 2q2a s MET 37 Ca 0.14 -0.24 -0.04 0.00 -1.71 0.00 0.00 55.69 53.83 2q2a s MET 37 Cb -0.05 -3.10 0.09 0.00 2.01 0.00 0.00 34.83 33.78 2q2a s MET 37 CO 0.09 0.67 0.22 -1.14 -0.01 0.00 0.00 175.02 174.85 2q2a s GLN 38 N -0.73 0.17 -1.47 2.03 0.74 -0.17 -4.87 119.66 115.36 2q2a s GLN 38 Ca 0.13 0.30 -0.08 0.00 0.05 0.00 0.00 55.36 55.75 2q2a s GLN 38 Cb -0.12 -0.99 0.06 0.00 1.10 0.00 0.00 33.01 33.05 2q2a s GLN 38 CO 0.03 -0.58 0.77 1.63 -0.55 0.00 0.00 175.29 176.59 2q2a n LYS 39 N 5.32 -4.61 -0.99 1.67 4.76 -1.26 -1.73 118.16 121.33 2q2a n LYS 39 Ca -0.05 0.54 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 2q2a n LYS 39 Cb 0.50 -5.17 0.00 0.00 -1.84 0.00 0.00 35.03 28.52 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 -1.68 0.35 3.58 0.72 0.00 -1.26 -5.02 105.19 101.89 2q2a n GLY 40 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.67 2.13 -0.12 1.61 -0.14 -0.70 -5.11 119.74 116.73 2q2a s LYS 41 Ca 0.00 -1.07 -0.25 0.00 -1.36 0.00 0.00 55.97 53.29 2q2a s LYS 41 Cb 0.00 -2.28 -0.02 0.00 -1.68 0.00 0.00 37.83 33.84 2q2a s LYS 41 CO 0.00 0.49 0.79 0.42 -0.76 0.00 0.00 175.35 176.29 2q2a s ILE 42 N -1.32 4.94 0.26 2.17 1.01 -1.26 -1.00 121.20 126.00 2q2a s ILE 42 Ca 0.22 1.58 0.03 0.00 0.00 0.00 0.00 60.65 62.48 2q2a s ILE 42 Cb -0.11 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 2q2a s ILE 42 CO 0.14 0.12 0.04 0.68 0.00 0.00 0.00 174.94 175.92 2q2a s VAL 43 N 1.58 0.94 0.00 2.92 -7.23 0.42 -4.96 120.40 114.07 2q2a s VAL 43 Ca 0.39 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2q2a s VAL 43 Cb -0.17 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2q2a s VAL 43 CO 0.16 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 2q2a n GLY 44 N -0.49 1.97 0.12 2.32 0.00 -1.26 -0.90 105.19 106.96 2q2a n GLY 44 Ca -0.03 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 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 0.31 -0.74 1.61 3.57 -0.29 -1.15 116.94 120.26 2q2a h PHE 45 Ca 0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2q2a h PHE 45 Cb 0.00 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 2q2a h PHE 45 CO 0.00 0.27 0.48 -0.44 -2.23 0.00 0.00 178.31 176.40 2q2a h ASP 46 N 0.25 0.85 -0.27 0.41 3.32 -1.38 -0.57 116.42 119.03 2q2a h ASP 46 Ca 0.08 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2q2a h ASP 46 Cb 0.07 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2q2a h ASP 46 CO -0.01 0.62 0.11 0.58 -1.72 0.00 0.00 179.24 178.82 2q2a h VAL 47 N 1.00 1.17 -0.44 -1.35 2.07 -1.45 0.13 116.25 117.38 2q2a h VAL 47 Ca 0.27 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2q2a h VAL 47 Cb -0.11 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2q2a h VAL 47 CO -0.06 0.18 0.10 0.44 0.02 0.00 0.00 177.57 178.25 2q2a h ASP 48 N 0.29 0.68 -0.39 0.57 3.32 -0.96 -2.13 116.42 117.79 2q2a h ASP 48 Ca 0.09 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 2q2a h ASP 48 Cb 0.18 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2q2a h ASP 48 CO -0.01 0.74 0.01 0.25 -1.72 0.00 0.00 179.24 178.51 2q2a h LEU 49 N 0.58 0.68 -0.48 1.55 5.85 -0.96 -2.12 115.31 120.41 2q2a h LEU 49 Ca 0.14 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.61 2q2a h LEU 49 Cb 0.33 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2q2a h LEU 49 CO 0.00 0.81 0.20 0.25 -0.34 0.00 0.00 178.44 179.37 2q2a h LEU 50 N 0.52 0.25 -0.51 2.25 5.85 -0.66 0.65 115.31 123.66 2q2a h LEU 50 Ca 0.11 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2q2a h LEU 50 Cb 0.46 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2q2a h LEU 50 CO 0.02 0.18 0.22 -0.78 -0.34 0.00 0.00 178.44 177.74 2q2a h ASP 51 N 0.40 0.69 -0.64 1.25 3.58 -1.18 0.88 116.42 121.40 2q2a h ASP 51 Ca 0.22 -0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2q2a h ASP 51 Cb 0.18 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 2q2a h ASP 51 CO -0.19 0.65 0.27 0.00 -2.88 0.00 0.00 179.24 177.09 2q2a h ALA 52 N 1.07 0.83 0.19 -0.78 0.00 -1.06 -2.02 119.26 117.50 2q2a h ALA 52 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2q2a h ALA 52 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2q2a h ALA 52 CO -0.02 0.43 -0.09 0.28 0.00 0.00 0.00 179.25 179.85 2q2a h VAL 53 N 0.90 0.88 -0.31 0.00 2.07 -0.29 -1.13 116.25 118.36 2q2a h VAL 53 Ca 0.22 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 2q2a h VAL 53 Cb 0.18 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2q2a h VAL 53 CO -0.02 0.08 -0.10 0.24 0.02 0.00 0.00 177.57 177.79 2q2a h MET 54 N -0.44 0.51 -0.44 1.57 2.07 -0.87 -0.08 114.93 117.26 2q2a h MET 54 Ca -0.03 -0.14 -0.09 0.00 -2.07 0.00 0.00 59.70 57.38 2q2a h MET 54 Cb 0.33 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.99 2q2a h MET 54 CO 0.04 0.61 -0.07 0.87 1.07 0.00 0.00 176.91 179.43 2q2a h LYS 55 N 0.47 0.82 -0.18 1.72 1.57 -1.31 0.25 116.57 119.91 2q2a h LYS 55 Ca 0.09 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2q2a h LYS 55 Cb 0.47 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2q2a h LYS 55 CO 0.03 0.92 -0.03 0.00 -0.57 0.00 0.00 179.45 179.79 2q2a h ALA 56 N 0.87 1.61 0.00 3.86 0.00 -0.63 -1.80 119.26 123.17 2q2a h ALA 56 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2q2a h ALA 56 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2q2a h ALA 56 CO 0.04 0.29 -0.01 0.00 0.00 0.00 0.00 179.25 179.57 2q2a n ALA 57 N -2.49 2.31 -2.96 0.00 0.00 -0.09 -4.85 120.51 112.41 2q2a n ALA 57 Ca -0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.23 2q2a n ALA 57 Cb 0.20 -1.47 0.04 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 1.36 -0.13 3.17 0.00 0.00 -0.17 -5.01 105.19 104.40 2q2a n GLY 58 Ca 0.06 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -5.00 2.91 0.37 0.99 1.43 -0.10 -5.03 118.68 114.25 2q2a s LEU 59 Ca 0.28 -0.84 -0.26 0.00 -1.03 0.00 0.00 54.13 52.28 2q2a s LEU 59 Cb -0.12 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 44.40 2q2a s LEU 59 CO 0.35 -0.09 1.15 -1.81 0.23 0.00 0.00 176.35 176.18 2q2a s ASP 60 N 1.30 6.72 0.14 2.29 1.11 -1.26 -4.54 116.67 122.43 2q2a s ASP 60 Ca 0.01 2.31 -0.12 0.00 0.18 0.00 0.00 52.55 54.93 2q2a s ASP 60 Cb -0.16 -2.61 0.01 0.00 1.07 0.00 0.00 42.92 41.23 2q2a s ASP 60 CO -0.07 -0.53 0.34 -0.72 1.18 0.00 0.00 175.17 175.36 2q2a s TYR 61 N -1.38 0.09 -0.07 4.23 -0.85 -1.26 -1.19 117.35 116.92 2q2a s TYR 61 Ca 0.54 -0.46 0.03 0.00 -0.52 0.00 0.00 57.07 56.66 2q2a s TYR 61 Cb -0.30 0.11 0.01 0.00 0.38 0.00 0.00 41.96 42.15 2q2a s TYR 61 CO 0.38 -0.71 -0.16 -1.21 -1.52 0.00 0.00 175.55 172.33 2q2a s GLU 62 N -3.88 2.09 -0.25 -3.49 2.02 0.11 -4.88 118.70 110.42 2q2a s GLU 62 Ca 0.09 -0.58 -0.12 0.00 0.02 0.00 0.00 54.97 54.38 2q2a s GLU 62 Cb 0.02 -1.68 -0.05 0.00 0.10 0.00 0.00 34.13 32.53 2q2a s GLU 62 CO -0.06 0.11 0.24 -1.17 0.02 0.00 0.00 175.26 174.40 2q2a s LEU 63 N 0.46 4.08 -0.12 1.80 2.96 -1.26 -0.94 118.68 125.65 2q2a s LEU 63 Ca -0.14 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2q2a s LEU 63 Cb -0.16 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.29 2q2a s LEU 63 CO 0.05 -0.04 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.35 2q2a s LYS 64 N 1.50 3.30 -1.17 1.98 3.01 0.13 -4.99 119.74 123.51 2q2a s LYS 64 Ca 0.10 -0.72 -0.19 0.00 -1.01 0.00 0.00 55.97 54.15 2q2a s LYS 64 Cb -0.15 -2.57 0.08 0.00 -1.01 0.00 0.00 37.83 34.18 2q2a s LYS 64 CO 0.08 0.22 1.57 1.21 0.51 0.00 0.00 175.35 178.95 2q2a s ASN 65 N 0.31 6.73 0.00 2.83 2.47 -1.26 -1.14 114.94 124.87 2q2a s ASN 65 Ca -0.11 -2.12 0.22 0.00 0.42 0.00 0.00 52.86 51.27 2q2a s ASN 65 Cb -0.16 -2.55 -0.14 0.00 -1.45 0.00 0.00 41.25 36.95 2q2a s ASN 65 CO 0.06 -1.25 0.92 0.00 -3.72 0.00 0.00 177.10 173.12 2q2a n ILE 66 N 6.36 0.01 0.00 -5.21 3.06 -0.28 -4.93 119.36 118.39 2q2a n ILE 66 Ca 0.41 -0.07 0.00 0.00 -2.50 0.00 0.00 62.75 60.58 2q2a n ILE 66 Cb 0.48 0.74 0.00 0.00 0.54 0.00 0.00 39.64 41.40 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 1.46 -0.15 0.04 4.50 0.00 -0.69 -4.54 105.19 105.82 2q2a n GLY 67 Ca 0.03 -1.78 -0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 -0.64 1.61 2.91 -1.84 -1.32 115.95 116.66 2q2a h TRP 68 Ca 0.00 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 2q2a h TRP 68 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.62 2q2a h TRP 68 CO 0.00 0.00 0.30 -0.44 -1.03 0.00 0.00 178.44 177.27 2q2a h ASP 69 N -0.82 0.84 -0.76 2.65 3.32 -1.91 -1.97 116.42 117.76 2q2a h ASP 69 Ca 0.00 -0.13 0.08 0.00 0.02 0.00 0.00 57.03 56.99 2q2a h ASP 69 Cb 0.00 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 2q2a h ASP 69 CO 0.00 0.74 0.50 -0.65 -1.72 0.00 0.00 179.24 178.11 2q2a h PRO 70 N 0.88 0.73 -0.30 3.56 0.11 -1.80 -2.26 132.00 132.92 2q2a h PRO 70 Ca 0.22 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.30 2q2a h PRO 70 Cb 0.12 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 2q2a h PRO 70 CO -0.03 0.49 0.16 1.25 -0.21 0.00 0.00 178.00 179.66 2q2a h LEU 71 N 0.76 0.26 -0.50 2.35 5.85 -0.46 0.25 115.31 123.81 2q2a h LEU 71 Ca 0.34 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.00 2q2a h LEU 71 Cb 0.34 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2q2a h LEU 71 CO -0.12 0.19 0.06 -0.26 -0.34 0.00 0.00 178.44 177.97 2q2a h PHE 72 N 0.34 0.91 -1.00 1.25 0.04 -1.27 -1.38 116.94 115.83 2q2a h PHE 72 Ca 0.12 -0.13 0.04 0.00 2.80 0.00 0.00 57.97 60.79 2q2a h PHE 72 Cb 0.02 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 37.86 2q2a h PHE 72 CO -0.08 0.83 0.65 0.00 -0.60 0.00 0.00 178.31 179.11 2q2a h ALA 73 N 0.96 1.32 0.00 2.45 0.00 -1.15 -2.29 119.26 120.55 2q2a h ALA 73 Ca 0.15 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 2q2a h ALA 73 Cb 0.43 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2q2a h ALA 73 CO 0.01 0.55 -0.80 0.77 0.00 0.00 0.00 179.25 179.79 2q2a h SER 74 N 1.27 0.00 -0.51 0.00 0.02 -0.72 -2.53 113.55 111.08 2q2a h SER 74 Ca 0.39 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 2q2a h SER 74 Cb -0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2q2a h SER 74 CO -0.12 0.80 0.24 -0.07 -1.14 0.00 0.00 176.83 176.53 2q2a h LEU 75 N 0.00 0.68 -0.55 5.07 3.38 -1.07 -1.27 115.31 121.55 2q2a h LEU 75 Ca -0.01 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2q2a h LEU 75 Cb 1.45 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2q2a h LEU 75 CO 0.10 0.63 0.34 1.56 0.09 0.00 0.00 178.44 181.16 2q2a h GLN 76 N 0.68 0.66 0.00 1.13 4.20 -1.19 -2.01 115.11 118.59 2q2a h GLN 76 Ca 0.17 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2q2a h GLN 76 Cb 0.14 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2q2a h GLN 76 CO -0.02 0.44 0.00 -1.13 -0.67 0.00 0.00 178.83 177.45 2q2a n SER 77 N -4.76 0.29 -0.12 1.46 3.41 -0.97 -4.92 113.62 108.01 2q2a n SER 77 Ca 0.04 0.53 -0.02 0.00 -0.26 0.00 0.00 58.87 59.16 2q2a n SER 77 Cb 0.06 -0.61 -0.01 0.00 -0.26 0.00 0.00 64.21 63.40 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 -1.78 -0.97 0.18 4.33 5.02 -0.57 -4.89 118.16 119.48 2q2a n LYS 78 Ca 0.06 0.34 0.05 0.00 -2.02 0.00 0.00 58.31 56.75 2q2a n LYS 78 Cb 0.36 -4.13 0.49 0.00 -0.02 0.00 0.00 35.03 31.73 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 0.42 0.11 -5.63 1.97 4.81 -1.59 -3.39 114.58 111.28 2q2a h GLU 79 Ca -0.03 -0.02 -0.66 0.00 -0.13 0.00 0.00 59.36 58.52 2q2a h GLU 79 Cb 0.53 -0.02 -0.20 0.00 0.63 0.00 0.00 28.75 29.69 2q2a h GLU 79 CO 0.05 0.21 -0.67 0.08 -0.73 0.00 0.00 179.01 177.94 2q2a s VAL 80 N -4.83 3.85 -0.25 0.32 1.01 -0.87 -4.94 120.40 114.69 2q2a s VAL 80 Ca -0.05 -0.39 0.21 0.00 0.00 0.00 0.00 61.98 61.75 2q2a s VAL 80 Cb 0.16 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.93 2q2a s VAL 80 CO 0.70 0.54 1.11 0.44 0.00 0.00 0.00 175.10 177.90 2q2a h ASP 81 N 6.08 0.00 -4.70 3.32 3.32 -1.31 -3.39 116.42 119.75 2q2a h ASP 81 Ca -0.38 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 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 0.58 0.11 0.32 -0.32 -1.72 0.00 0.00 179.24 178.21 2q2a s MET 82 N -3.26 0.91 0.03 3.56 0.00 -1.08 -4.23 119.30 115.22 2q2a s MET 82 Ca 0.00 0.15 0.04 0.00 0.00 0.00 0.00 55.69 55.88 2q2a s MET 82 Cb 0.09 0.43 -0.02 0.00 0.00 0.00 0.00 34.83 35.33 2q2a s MET 82 CO 0.77 -0.30 -0.11 0.20 0.00 0.00 0.00 175.02 175.58 2q2a s GLY 83 N -1.33 0.62 -0.06 2.11 0.00 0.83 -1.25 107.32 108.24 2q2a s GLY 83 Ca -0.06 -0.68 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 2q2a s GLY 83 CO 0.05 -0.66 -0.01 -1.50 0.00 0.00 0.00 173.10 170.98 2q2a s ILE 84 N -0.77 0.40 -0.21 0.90 2.07 -0.92 -1.32 121.20 121.34 2q2a s ILE 84 Ca -0.00 0.07 0.08 0.00 -1.41 0.00 0.00 60.65 59.39 2q2a s ILE 84 Cb -0.07 -0.53 0.26 0.00 0.13 0.00 0.00 42.46 42.25 2q2a s ILE 84 CO 0.01 0.25 1.21 -0.24 -1.91 0.00 0.00 174.94 174.26 2q2a n SER 85 N 4.86 -1.07 -3.75 4.50 2.88 -1.26 -4.39 113.62 115.39 2q2a n SER 85 Ca -0.12 -1.87 -0.26 0.00 -1.33 0.00 0.00 58.87 55.29 2q2a n SER 85 Cb 0.50 0.48 0.05 0.00 -0.75 0.00 0.00 64.21 64.49 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 -0.99 -0.47 3.63 0.46 0.00 -1.26 -4.88 105.19 101.69 2q2a n GLY 86 Ca -0.15 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.37 4.98 0.14 -0.61 1.01 -1.26 -4.98 121.20 117.11 2q2a s ILE 87 Ca 0.49 1.17 -0.31 0.00 0.00 0.00 0.00 60.65 62.00 2q2a s ILE 87 Cb -0.23 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 2q2a s ILE 87 CO 0.79 0.04 1.29 -0.89 0.00 0.00 0.00 174.94 176.17 2q2a s THR 88 N 2.39 3.49 -0.09 2.92 2.01 -1.26 -1.33 115.64 123.76 2q2a s THR 88 Ca 0.27 1.14 -0.30 0.00 0.31 0.00 0.00 61.69 63.12 2q2a s THR 88 Cb -0.16 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 2q2a s THR 88 CO 0.09 0.13 1.31 -0.63 -0.69 0.00 0.00 174.62 174.82 2q2a s ILE 89 N 0.60 4.10 0.07 1.82 1.01 0.46 -4.85 121.20 124.41 2q2a s ILE 89 Ca 0.59 1.39 0.03 0.00 0.00 0.00 0.00 60.65 62.66 2q2a s ILE 89 Cb -0.34 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2q2a s ILE 89 CO 0.33 -0.06 -0.09 0.42 0.00 0.00 0.00 174.94 175.54 2q2a s THR 90 N 2.95 0.79 0.25 2.92 -4.23 -1.26 -4.67 115.64 112.39 2q2a s THR 90 Ca 0.58 -1.42 -0.05 0.00 -1.18 0.00 0.00 61.69 59.63 2q2a s THR 90 Cb -0.25 -1.08 0.25 0.00 1.34 0.00 0.00 72.50 72.76 2q2a s THR 90 CO 0.20 -0.49 1.90 0.44 -0.54 0.00 0.00 174.62 176.14 2q2a h ASP 91 N 3.94 1.07 -0.52 3.99 3.32 -1.99 -0.88 116.42 125.35 2q2a h ASP 91 Ca -0.37 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.60 2q2a h ASP 91 Cb 1.19 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2q2a h ASP 91 CO 0.48 0.73 0.04 -0.08 -1.72 0.00 0.00 179.24 178.68 2q2a h GLU 92 N 1.24 0.89 -0.51 3.56 4.81 -2.01 -2.80 114.58 119.76 2q2a h GLU 92 Ca 0.39 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 2q2a h GLU 92 Cb 0.01 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2q2a h GLU 92 CO -0.13 0.90 0.08 0.00 -0.73 0.00 0.00 179.01 179.13 2q2a h ARG 93 N 0.76 0.79 -0.01 1.92 3.08 -1.83 -2.45 114.38 116.64 2q2a h ARG 93 Ca 0.15 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2q2a h ARG 93 Cb 0.47 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2q2a h ARG 93 CO 0.02 0.75 0.04 0.87 -1.07 0.00 0.00 179.97 180.57 2q2a h LYS 94 N 0.76 0.00 0.00 0.04 1.57 -0.92 0.05 116.57 118.08 2q2a h LYS 94 Ca 0.16 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2q2a h LYS 94 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2q2a h LYS 94 CO 0.01 0.00 -0.22 1.96 -0.57 0.00 0.00 179.45 180.63 2q2a h GLN 95 N 0.00 0.00 0.00 3.15 4.20 -1.29 -3.34 115.11 117.83 2q2a h GLN 95 Ca 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2q2a h GLN 95 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2q2a h GLN 95 CO -0.00 0.22 -1.24 0.43 -0.67 0.00 0.00 178.83 177.57 2q2a n SER 96 N -3.53 3.92 -4.19 1.46 7.64 -0.21 -5.08 113.62 113.62 2q2a n SER 96 Ca -0.01 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2q2a n SER 96 Cb 0.37 1.03 -0.10 0.00 -1.01 0.00 0.00 64.21 64.50 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 -2.26 1.04 0.21 1.43 2.02 -0.17 -3.96 117.35 115.66 2q2a s TYR 97 Ca -0.02 -1.17 0.06 0.00 -0.37 0.00 0.00 57.07 55.57 2q2a s TYR 97 Cb 0.03 -0.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 2q2a s TYR 97 CO 0.19 -0.42 0.15 -0.51 -1.57 0.00 0.00 175.55 173.39 2q2a s ASP 98 N -3.11 5.42 0.10 2.29 1.01 -0.21 -4.25 116.67 117.91 2q2a s ASP 98 Ca 0.26 -0.23 0.07 0.00 0.71 0.00 0.00 52.55 53.37 2q2a s ASP 98 Cb 0.07 -1.37 -0.03 0.00 1.01 0.00 0.00 42.92 42.60 2q2a s ASP 98 CO 0.04 0.02 -0.19 -0.36 0.21 0.00 0.00 175.17 174.89 2q2a s PHE 99 N -1.95 1.65 1.02 4.23 0.08 -1.26 -0.68 117.98 121.07 2q2a s PHE 99 Ca 0.32 -0.44 -0.13 0.00 0.12 0.00 0.00 56.93 56.80 2q2a s PHE 99 Cb -0.09 -0.90 0.20 0.00 -0.57 0.00 0.00 43.02 41.66 2q2a s PHE 99 CO 0.24 0.18 1.09 -1.54 -0.10 0.00 0.00 175.22 175.09 2q2a s SER 100 N -1.98 2.45 0.70 1.36 1.04 0.56 -4.97 113.70 112.86 2q2a s SER 100 Ca 0.06 1.17 -0.16 0.00 0.48 0.00 0.00 55.95 57.49 2q2a s SER 100 Cb -0.09 -1.84 -0.00 0.00 0.10 0.00 0.00 66.02 64.19 2q2a s SER 100 CO 0.04 -3.24 0.99 0.47 0.98 0.00 0.00 173.24 172.48 2q2a n ASP 101 N -4.24 0.60 -4.77 7.02 8.00 -1.26 -4.62 116.55 117.28 2q2a n ASP 101 Ca 0.05 0.69 -0.36 0.00 0.71 0.00 0.00 54.79 55.88 2q2a n ASP 101 Cb 0.57 -1.41 0.01 0.00 -0.02 0.00 0.00 41.12 40.27 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 -3.28 3.39 0.00 -0.24 0.04 -1.26 -4.60 135.00 129.05 2q2a s PRO 102 Ca 0.74 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2q2a s PRO 102 Cb -0.35 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2q2a s PRO 102 CO 0.49 -0.86 0.40 2.48 0.04 0.00 0.00 177.00 179.56 2q2a n TYR 103 N -1.08 0.00 -3.52 0.56 0.18 -0.12 -4.89 117.16 108.28 2q2a n TYR 103 Ca 0.11 -0.04 -0.13 0.00 1.88 0.00 0.00 57.90 59.71 2q2a n TYR 103 Cb 0.49 -0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.40 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 -0.09 -0.48 0.05 -3.48 5.36 -1.25 -4.97 117.98 113.12 2q2a s PHE 104 Ca 0.00 0.67 0.09 0.00 -0.96 0.00 0.00 56.93 56.74 2q2a s PHE 104 Cb 0.00 0.47 -0.03 0.00 -0.34 0.00 0.00 43.02 43.12 2q2a s PHE 104 CO 0.00 -0.53 -0.26 -2.00 -1.46 0.00 0.00 175.22 170.97 2q2a s GLU 105 N -1.87 1.76 0.29 10.12 2.12 -1.26 -1.04 118.70 128.82 2q2a s GLU 105 Ca -0.03 -1.11 -0.09 0.00 0.36 0.00 0.00 54.97 54.11 2q2a s GLU 105 Cb -0.00 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.44 2q2a s GLU 105 CO 0.00 0.50 0.49 0.00 -0.54 0.00 0.00 175.26 175.71 2q2a s ALA 106 N -0.81 0.16 0.08 6.30 0.00 -0.02 -4.99 121.76 122.47 2q2a s ALA 106 Ca 0.12 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 2q2a s ALA 106 Cb -0.10 1.08 0.01 0.00 0.00 0.00 0.00 23.12 24.11 2q2a s ALA 106 CO 0.02 -0.83 0.25 -0.08 0.00 0.00 0.00 175.76 175.12 2q2a s THR 107 N -3.52 0.11 0.49 0.00 -1.32 -1.26 -0.99 115.64 109.16 2q2a s THR 107 Ca 0.26 -0.94 -0.21 0.00 -1.21 0.00 0.00 61.69 59.59 2q2a s THR 107 Cb -0.01 -1.16 -0.08 0.00 -1.51 0.00 0.00 72.50 69.75 2q2a s THR 107 CO 0.13 -0.52 1.08 -1.10 -2.21 0.00 0.00 174.62 172.01 2q2a s GLN 108 N -3.37 3.68 0.16 7.08 -1.52 -1.26 -0.64 119.66 123.78 2q2a s GLN 108 Ca 0.01 1.50 -0.02 0.00 -1.95 0.00 0.00 55.36 54.90 2q2a s GLN 108 Cb 0.02 -2.13 -0.04 0.00 -0.22 0.00 0.00 33.01 30.64 2q2a s GLN 108 CO -0.08 -0.55 0.10 0.14 -0.25 0.00 0.00 175.29 174.64 2q2a s VAL 109 N -1.84 0.06 -0.24 1.09 -7.23 -0.10 -4.73 120.40 107.40 2q2a s VAL 109 Ca 0.68 -1.91 -0.07 0.00 -1.81 0.00 0.00 61.98 58.86 2q2a s VAL 109 Cb -0.20 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 2q2a s VAL 109 CO 0.24 -0.28 0.07 -0.63 -0.31 0.00 0.00 175.10 174.20 2q2a s ILE 110 N -4.09 4.37 -0.26 -0.62 1.01 0.02 -2.49 121.20 119.14 2q2a s ILE 110 Ca 0.29 -0.15 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 2q2a s ILE 110 Cb 0.07 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 2q2a s ILE 110 CO 0.06 0.35 0.23 -0.22 0.00 0.00 0.00 174.94 175.35 2q2a s LEU 111 N 1.51 4.05 0.19 2.97 2.96 0.82 -0.09 118.68 131.09 2q2a s LEU 111 Ca 0.06 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2q2a s LEU 111 Cb -0.15 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 2q2a s LEU 111 CO 0.04 -0.05 -0.00 0.68 -1.32 0.00 0.00 176.35 175.70 2q2a s VAL 112 N 1.61 0.79 0.56 1.68 -7.23 -0.52 -1.18 120.40 116.11 2q2a s VAL 112 Ca 0.09 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.06 2q2a s VAL 112 Cb -0.15 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2q2a s VAL 112 CO 0.09 -0.45 1.23 -0.54 -0.31 0.00 0.00 175.10 175.12 2q2a s LYS 113 N -3.89 3.14 0.60 4.82 1.02 -1.26 -0.52 119.74 123.64 2q2a s LYS 113 Ca 0.25 1.90 0.29 0.00 0.02 0.00 0.00 55.97 58.43 2q2a s LYS 113 Cb 0.06 -2.08 1.56 0.00 -0.52 0.00 0.00 37.83 36.85 2q2a s LYS 113 CO 0.05 -1.09 1.97 1.96 -0.92 0.00 0.00 175.35 177.31 2q2a h GLN 114 N 1.20 0.00 -0.00 1.68 4.20 -0.81 -0.74 115.11 120.65 2q2a h GLN 114 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2q2a h GLN 114 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2q2a h GLN 114 CO 0.56 0.00 -0.01 0.41 -0.67 0.00 0.00 178.83 179.13 2q2a n GLY 115 N -1.44 -1.20 3.77 3.46 0.00 -1.26 -4.95 105.19 103.58 2q2a n GLY 115 Ca 0.05 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.44 6.55 0.00 1.61 0.15 -0.28 -4.91 113.70 114.38 2q2a s SER 116 Ca 0.33 2.87 0.31 0.00 0.70 0.00 0.00 55.95 60.16 2q2a s SER 116 Cb 0.21 -2.66 1.62 0.00 -1.71 0.00 0.00 66.02 63.48 2q2a s SER 116 CO 0.44 -0.71 2.09 -0.81 1.20 0.00 0.00 173.24 175.45 2q2a n PRO 117 N 0.74 0.61 -2.05 5.44 -0.04 -1.26 -4.86 135.00 133.57 2q2a n PRO 117 Ca 0.01 -0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 2q2a n PRO 117 Cb 0.40 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.40 3.53 -0.19 0.52 1.01 -1.26 -4.87 120.40 116.74 2q2a s VAL 118 Ca 0.34 0.77 0.07 0.00 0.00 0.00 0.00 61.98 63.16 2q2a s VAL 118 Cb 0.21 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 2q2a s VAL 118 CO 0.44 -0.04 0.23 0.29 0.00 0.00 0.00 175.10 176.01 2q2a n LYS 119 N 6.48 2.87 -3.83 2.72 5.02 -1.26 -5.00 118.16 125.17 2q2a n LYS 119 Ca 0.16 -0.03 -0.06 0.00 -2.02 0.00 0.00 58.31 56.36 2q2a n LYS 119 Cb 0.43 -0.96 -0.01 0.00 -0.02 0.00 0.00 35.03 34.47 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 -2.12 -0.17 0.29 4.39 2.20 -1.26 -4.89 114.94 113.39 2q2a s ASN 120 Ca 0.00 -0.67 -0.01 0.00 -0.94 0.00 0.00 52.86 51.25 2q2a s ASN 120 Cb 0.05 0.67 0.44 0.00 -2.00 0.00 0.00 41.25 40.41 2q2a s ASN 120 CO 0.28 -1.27 1.88 0.00 -2.94 0.00 0.00 177.10 175.04 2q2a h ALA 121 N 2.00 1.30 0.00 3.54 0.00 -1.94 -2.37 119.26 121.78 2q2a h ALA 121 Ca -0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2q2a h ALA 121 Cb 1.24 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2q2a h ALA 121 CO 0.28 0.52 -0.06 -0.07 0.00 0.00 0.00 179.25 179.92 2q2a h LEU 122 N 0.87 0.00 -0.71 0.00 3.38 -1.99 -1.55 115.31 115.31 2q2a h LEU 122 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2q2a h LEU 122 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2q2a h LEU 122 CO -0.02 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.04 2q2a n ASP 123 N -3.40 0.60 0.00 -0.43 8.00 -0.89 -2.66 116.55 117.76 2q2a n ASP 123 Ca -0.02 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.26 2q2a n ASP 123 Cb 0.21 -0.78 0.66 0.00 -0.02 0.00 0.00 41.12 41.19 2q2a n ASP 123 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2q2a n LEU 124 N -2.17 0.00 -4.68 0.64 4.77 -0.58 -4.86 117.00 110.11 2q2a n LEU 124 Ca 0.02 0.07 -0.45 0.00 -0.03 0.00 0.00 56.01 55.62 2q2a n LEU 124 Cb 0.20 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2q2a n LEU 124 CO 0.18 -0.02 1.29 1.17 -1.33 0.00 0.00 177.39 178.68 2q2a n LYS 125 N -1.07 2.37 -0.95 3.23 3.00 -1.09 -0.97 118.16 122.68 2q2a n LYS 125 Ca 0.16 0.86 0.00 0.00 -0.00 0.00 0.00 58.31 59.33 2q2a n LYS 125 Cb 0.10 -2.66 0.00 0.00 0.00 0.00 0.00 35.03 32.47 2q2a n LYS 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2q2a n GLY 126 N 3.71 0.77 3.94 3.14 0.00 -1.26 -5.01 105.19 110.47 2q2a n GLY 126 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.15 3.04 -0.14 1.61 -0.14 -0.15 -5.10 119.74 118.71 2q2a s LYS 127 Ca 0.00 -1.06 -0.14 0.00 -1.36 0.00 0.00 55.97 53.41 2q2a s LYS 127 Cb 0.00 -2.72 -0.05 0.00 -1.68 0.00 0.00 37.83 33.39 2q2a s LYS 127 CO 0.00 0.14 0.31 0.95 -0.76 0.00 0.00 175.35 176.00 2q2a s THR 128 N -2.18 5.28 -0.12 2.17 -4.23 -1.26 -4.83 115.64 110.46 2q2a s THR 128 Ca 0.42 0.60 0.03 0.00 -1.18 0.00 0.00 61.69 61.56 2q2a s THR 128 Cb -0.08 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2q2a s THR 128 CO 0.29 0.41 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.93 2q2a s ILE 129 N 0.24 2.09 -0.09 2.99 1.01 -0.49 -0.92 121.20 126.03 2q2a s ILE 129 Ca 0.18 -0.99 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 2q2a s ILE 129 Cb -0.13 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 2q2a s ILE 129 CO 0.05 0.55 0.33 -0.83 0.00 0.00 0.00 174.94 175.04 2q2a s GLY 130 N 0.57 2.32 0.05 6.18 0.00 0.11 -0.27 107.32 116.27 2q2a s GLY 130 Ca -0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 2q2a s GLY 130 CO 0.04 0.22 -0.03 -1.34 0.00 0.00 0.00 173.10 171.99 2q2a s VAL 131 N -0.34 0.24 0.14 1.40 -7.23 -0.39 -2.03 120.40 112.19 2q2a s VAL 131 Ca 0.20 -1.82 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 2q2a s VAL 131 Cb -0.14 -1.54 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 2q2a s VAL 131 CO 0.08 -0.99 0.98 -1.58 -0.31 0.00 0.00 175.10 173.29 2q2a s GLN 132 N -3.92 4.70 0.28 4.82 0.74 -1.26 -1.18 119.66 123.84 2q2a s GLN 132 Ca 0.07 1.50 -0.29 0.00 0.05 0.00 0.00 55.36 56.70 2q2a s GLN 132 Cb 0.08 -3.35 -0.14 0.00 1.10 0.00 0.00 33.01 30.70 2q2a s GLN 132 CO -0.10 0.23 1.08 -1.71 -0.55 0.00 0.00 175.29 174.24 2q2a n ASN 133 N 2.57 1.54 -3.63 6.67 5.15 0.35 -3.18 115.26 124.72 2q2a n ASN 133 Ca 0.02 1.18 -0.21 0.00 -0.60 0.00 0.00 54.58 54.96 2q2a n ASN 133 Cb 0.48 -1.31 0.05 0.00 -0.53 0.00 0.00 39.78 38.48 2q2a n ASN 133 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2q2a n ALA 134 N 0.49 -1.91 -2.44 5.20 0.00 -1.26 -4.93 120.51 115.66 2q2a n ALA 134 Ca 0.10 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 2q2a n ALA 134 Cb 0.31 -2.54 -0.10 0.00 0.00 0.00 0.00 19.45 17.12 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 -3.52 1.95 0.52 0.00 -4.23 -1.19 -5.02 115.64 104.15 2q2a s THR 135 Ca 0.10 -2.22 0.19 0.00 -1.18 0.00 0.00 61.69 58.58 2q2a s THR 135 Cb -0.05 -2.37 0.32 0.00 1.34 0.00 0.00 72.50 71.74 2q2a s THR 135 CO 0.78 -0.37 2.09 0.71 -0.54 0.00 0.00 174.62 177.30 2q2a h THR 136 N 2.29 0.91 -0.78 3.99 1.35 -1.94 -1.39 112.91 117.33 2q2a h THR 136 Ca -0.40 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2q2a h THR 136 Cb 1.24 0.89 -0.04 0.00 -1.73 0.00 0.00 68.15 68.51 2q2a h THR 136 CO 0.65 0.00 0.49 1.23 -0.25 0.00 0.00 175.52 177.64 2q2a h GLY 137 N 0.01 1.12 0.92 5.82 0.00 -1.90 0.51 103.07 109.56 2q2a h GLY 137 Ca 0.10 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 2q2a h GLY 137 CO -0.00 0.44 0.13 -1.61 0.00 0.00 0.00 176.54 175.49 2q2a h GLN 138 N 1.06 0.51 -0.65 4.80 4.15 -1.49 -0.68 115.11 122.82 2q2a h GLN 138 Ca 0.28 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 2q2a h GLN 138 Cb -0.07 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 2q2a h GLN 138 CO -0.06 0.51 0.40 1.49 -1.93 0.00 0.00 178.83 179.25 2q2a h GLU 139 N 0.40 0.87 -0.81 1.69 4.81 -1.14 -0.16 114.58 120.24 2q2a h GLU 139 Ca 0.11 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2q2a h GLU 139 Cb 0.20 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 2q2a h GLU 139 CO -0.01 0.60 0.38 0.00 -0.73 0.00 0.00 179.01 179.25 2q2a h ALA 140 N 1.21 1.04 -0.29 2.92 0.00 -0.72 0.11 119.26 123.54 2q2a h ALA 140 Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2q2a h ALA 140 Cb -0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2q2a h ALA 140 CO -0.05 0.61 0.14 0.00 0.00 0.00 0.00 179.25 179.96 2q2a h ALA 141 N 1.20 0.37 -0.04 0.00 0.00 -0.79 -2.77 119.26 117.23 2q2a h ALA 141 Ca 0.28 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2q2a h ALA 141 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2q2a h ALA 141 CO -0.03 -0.08 -0.27 0.93 0.00 0.00 0.00 179.25 179.80 2q2a h GLU 142 N 0.33 0.07 -0.28 0.00 5.08 -0.70 -2.55 114.58 116.53 2q2a h GLU 142 Ca 0.10 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2q2a h GLU 142 Cb 0.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2q2a h GLU 142 CO -0.01 0.34 0.05 -0.22 -1.00 0.00 0.00 179.01 178.16 2q2a h LYS 143 N 0.07 0.40 0.37 2.33 3.64 -0.51 0.32 116.57 123.19 2q2a h LYS 143 Ca 0.01 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2q2a h LYS 143 Cb 0.51 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2q2a h LYS 143 CO 0.04 0.39 -0.18 -0.07 -2.27 0.00 0.00 179.45 177.36 2q2a h LEU 144 N 0.39 -0.42 -1.63 5.20 3.38 -1.32 -3.38 115.31 117.53 2q2a h LEU 144 Ca 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q2a h LEU 144 Cb 0.18 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2q2a h LEU 144 CO -0.00 -0.15 0.00 0.49 0.09 0.00 0.00 178.44 178.87 2q2a n PHE 145 N -5.22 0.00 0.00 1.13 3.72 -1.25 -5.11 117.46 110.73 2q2a n PHE 145 Ca -0.10 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 2q2a n PHE 145 Cb 0.26 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.17 0.62 3.76 1.37 0.00 0.10 -4.99 105.19 105.87 2q2a n GLY 146 Ca 0.00 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.20 2.92 0.00 1.61 1.02 -1.25 -4.61 119.74 117.23 2q2a s LYS 147 Ca 0.00 1.72 0.00 0.00 0.02 0.00 0.00 55.97 57.71 2q2a s LYS 147 Cb 0.00 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 2q2a s LYS 147 CO 0.00 -1.22 0.00 0.41 -0.92 0.00 0.00 175.35 173.62 2q2a n GLY 148 N 0.29 1.57 0.04 -3.33 0.00 -1.26 -4.99 105.19 97.50 2q2a n GLY 148 Ca 0.13 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.31 2q2a n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q2a n PRO 149 N -0.58 0.06 0.32 1.61 -0.04 -1.26 -2.44 135.00 132.67 2q2a n PRO 149 Ca 0.00 0.30 0.21 0.00 -0.04 0.00 0.00 63.50 63.97 2q2a n PRO 149 Cb 0.00 -1.61 1.05 0.00 -0.04 0.00 0.00 33.50 32.91 2q2a n PRO 149 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2q2a h HIS 150 N 0.00 0.00 -3.77 0.54 2.07 -1.94 -3.39 115.15 108.66 2q2a h HIS 150 Ca 0.00 0.00 -0.66 0.00 -2.85 0.00 0.00 60.37 56.86 2q2a h HIS 150 Cb 0.29 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 30.09 2q2a h HIS 150 CO 0.00 0.00 -0.48 0.42 -3.07 0.00 0.00 177.93 174.80 2q2a s ILE 151 N -3.99 5.29 -0.15 6.12 1.01 -1.02 -1.39 121.20 127.06 2q2a s ILE 151 Ca -0.03 -0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.42 2q2a s ILE 151 Cb 0.12 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 2q2a s ILE 151 CO 0.45 0.08 0.29 -0.54 0.00 0.00 0.00 174.94 175.22 2q2a s LYS 152 N 1.75 4.21 -0.18 2.79 -0.14 0.62 -4.93 119.74 123.86 2q2a s LYS 152 Ca 0.07 0.10 -0.02 0.00 -1.36 0.00 0.00 55.97 54.75 2q2a s LYS 152 Cb -0.17 -3.41 -0.01 0.00 -1.68 0.00 0.00 37.83 32.57 2q2a s LYS 152 CO 0.11 0.28 -0.09 0.15 -0.76 0.00 0.00 175.35 175.04 2q2a s LYS 153 N 0.35 3.35 0.21 1.68 3.01 -1.26 -1.26 119.74 125.82 2q2a s LYS 153 Ca 0.17 -0.66 0.11 0.00 -1.01 0.00 0.00 55.97 54.58 2q2a s LYS 153 Cb -0.13 -2.84 -0.05 0.00 -1.01 0.00 0.00 37.83 33.80 2q2a s LYS 153 CO 0.04 -0.05 -0.23 -0.06 0.51 0.00 0.00 175.35 175.56 2q2a s PHE 154 N 1.05 2.31 -0.32 3.18 0.08 -0.32 -4.75 117.98 119.19 2q2a s PHE 154 Ca -0.00 -0.35 0.27 0.00 0.12 0.00 0.00 56.93 56.97 2q2a s PHE 154 Cb -0.15 -1.12 0.97 0.00 -0.57 0.00 0.00 43.02 42.15 2q2a s PHE 154 CO -0.01 0.54 1.80 1.49 -0.10 0.00 0.00 175.22 178.94 2q2a h GLU 155 N 3.03 0.00 -4.81 0.44 4.57 -1.95 0.10 114.58 115.96 2q2a h GLU 155 Ca -0.45 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.41 2q2a h GLU 155 Cb 1.22 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.59 2q2a h GLU 155 CO 0.50 0.00 -0.75 0.95 -1.18 0.00 0.00 179.01 178.53 2q2a s THR 156 N -3.38 0.72 0.39 0.32 -4.23 -1.26 -4.58 115.64 103.62 2q2a s THR 156 Ca 0.05 -1.14 0.06 0.00 -1.18 0.00 0.00 61.69 59.48 2q2a s THR 156 Cb 0.09 -0.75 0.24 0.00 1.34 0.00 0.00 72.50 73.42 2q2a s THR 156 CO 0.53 -0.32 2.02 0.74 -0.54 0.00 0.00 174.62 177.04 2q2a h THR 157 N 4.44 1.13 -0.44 3.99 2.02 -1.85 -2.55 112.91 119.65 2q2a h THR 157 Ca -0.37 -0.32 0.08 0.00 0.77 0.00 0.00 66.41 66.56 2q2a h THR 157 Cb 1.20 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 2q2a h THR 157 CO 0.41 0.14 0.05 0.58 0.37 0.00 0.00 175.52 177.07 2q2a h VAL 158 N 0.58 0.72 -0.25 3.16 2.07 -1.96 -1.77 116.25 118.81 2q2a h VAL 158 Ca 0.15 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 67.46 2q2a h VAL 158 Cb 0.01 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2q2a h VAL 158 CO -0.03 0.03 -0.46 0.58 0.02 0.00 0.00 177.57 177.72 2q2a h VAL 159 N 0.17 1.30 -0.50 2.57 2.07 -1.89 -1.48 116.25 118.49 2q2a h VAL 159 Ca 0.22 -1.65 0.08 0.00 0.82 0.00 0.00 66.70 66.17 2q2a h VAL 159 Cb 0.30 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 2q2a h VAL 159 CO -0.32 0.53 0.12 0.00 0.02 0.00 0.00 177.57 177.92 2q2a h ALA 160 N 0.97 0.57 -0.20 1.67 0.00 -1.16 -1.15 119.26 119.97 2q2a h ALA 160 Ca 0.03 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2q2a h ALA 160 Cb 0.99 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2q2a h ALA 160 CO 0.09 -0.29 -0.29 0.82 0.00 0.00 0.00 179.25 179.58 2q2a h ILE 161 N 0.26 1.27 -0.87 0.00 2.04 -0.93 -2.01 117.51 117.27 2q2a h ILE 161 Ca 0.25 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 2q2a h ILE 161 Cb 0.32 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2q2a h ILE 161 CO -0.30 0.41 0.45 0.24 0.00 0.00 0.00 178.15 178.94 2q2a h MET 162 N 0.35 1.24 0.00 2.37 2.86 -0.51 -1.10 114.93 120.14 2q2a h MET 162 Ca 0.05 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 2q2a h MET 162 Cb 0.69 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2q2a h MET 162 CO 0.05 0.93 -0.30 0.93 1.06 0.00 0.00 176.91 179.59 2q2a h GLU 163 N 1.24 0.00 -0.06 1.72 4.39 -0.77 -2.04 114.58 119.06 2q2a h GLU 163 Ca 0.30 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 2q2a h GLU 163 Cb 0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2q2a h GLU 163 CO -0.04 0.30 -0.00 1.25 -1.16 0.00 0.00 179.01 179.35 2q2a h LEU 164 N 0.00 0.10 -0.93 1.33 5.85 -0.76 0.29 115.31 121.20 2q2a h LEU 164 Ca -0.00 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.41 2q2a h LEU 164 Cb 0.89 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 2q2a h LEU 164 CO 0.04 0.41 0.61 -0.07 -0.34 0.00 0.00 178.44 179.08 2q2a h LEU 165 N -0.20 1.03 -1.06 2.25 3.38 -0.86 -2.59 115.31 117.26 2q2a h LEU 165 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q2a h LEU 165 Cb 0.36 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2q2a h LEU 165 CO 0.00 0.72 0.00 -0.46 0.09 0.00 0.00 178.44 178.80 2q2a n ASN 166 N -4.47 1.63 0.00 -0.43 0.23 -0.80 -4.93 115.26 106.49 2q2a n ASN 166 Ca 0.11 -1.59 0.00 0.00 -0.53 0.00 0.00 54.58 52.57 2q2a n ASN 166 Cb 0.06 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 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 1.17 0.63 0.30 4.83 0.00 -0.97 -4.93 105.19 106.23 2q2a n GLY 167 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 0.81 -2.57 -0.02 0.00 -0.72 -3.43 103.07 97.13 2q2a h GLY 168 Ca 0.00 -0.42 -0.46 0.00 0.00 0.00 0.00 47.33 46.46 2q2a h GLY 168 CO 0.00 0.40 -0.74 -1.34 0.00 0.00 0.00 176.54 174.86 2q2a s VAL 169 N -5.30 1.76 -0.28 4.60 -7.23 -0.48 -4.98 120.40 108.49 2q2a s VAL 169 Ca -0.09 -2.20 0.21 0.00 -1.81 0.00 0.00 61.98 58.08 2q2a s VAL 169 Cb 0.16 -2.04 0.10 0.00 0.56 0.00 0.00 36.38 35.16 2q2a s VAL 169 CO 0.78 -0.58 1.24 0.44 -0.31 0.00 0.00 175.10 176.67 2q2a h ASP 170 N 2.58 0.00 -4.62 4.85 3.32 -1.31 -3.41 116.42 117.84 2q2a h ASP 170 Ca -0.38 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.70 2q2a h ASP 170 Cb 1.22 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.58 2q2a h ASP 170 CO 0.61 0.13 0.38 0.00 -1.72 0.00 0.00 179.24 178.64 2q2a s ALA 171 N -3.21 -1.82 -0.01 3.45 0.00 -1.14 -4.66 121.76 114.37 2q2a s ALA 171 Ca 0.02 1.25 0.07 0.00 0.00 0.00 0.00 51.96 53.31 2q2a s ALA 171 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2q2a s ALA 171 CO 0.75 -0.46 -0.23 0.08 0.00 0.00 0.00 175.76 175.90 2q2a s VAL 172 N -1.86 1.85 -0.23 0.00 1.01 -0.32 0.04 120.40 120.88 2q2a s VAL 172 Ca -0.03 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 2q2a s VAL 172 Cb -0.00 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 2q2a s VAL 172 CO 0.00 0.48 -0.02 -0.63 0.00 0.00 0.00 175.10 174.93 2q2a s ILE 173 N -0.59 3.47 0.30 2.22 1.01 -0.86 -0.12 121.20 126.62 2q2a s ILE 173 Ca 0.09 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 2q2a s ILE 173 Cb -0.09 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.78 2q2a s ILE 173 CO -0.00 0.37 0.48 1.07 0.00 0.00 0.00 174.94 176.85 2q2a n THR 174 N 4.81 0.00 -2.51 2.92 5.66 -1.04 -4.65 114.28 119.47 2q2a n THR 174 Ca -0.18 -1.30 -0.38 0.00 -3.05 0.00 0.00 64.05 59.15 2q2a n THR 174 Cb 0.50 0.89 -0.04 0.00 -1.55 0.00 0.00 70.33 70.13 2q2a n THR 174 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2q2a s ASP 175 N -2.78 6.95 0.23 1.09 1.11 -1.26 -0.93 116.67 121.08 2q2a s ASP 175 Ca 0.21 2.14 -0.07 0.00 0.18 0.00 0.00 52.55 55.01 2q2a s ASP 175 Cb -0.02 -2.60 0.25 0.00 1.07 0.00 0.00 42.92 41.62 2q2a s ASP 175 CO 0.15 -0.36 1.87 -0.55 1.18 0.00 0.00 175.17 177.47 2q2a h ASN 176 N 3.04 0.88 0.61 0.27 -1.07 -1.19 -1.33 115.58 116.78 2q2a h ASN 176 Ca -0.48 -0.00 -0.12 0.00 0.07 0.00 0.00 56.30 55.77 2q2a h ASN 176 Cb 1.21 -0.20 -0.02 0.00 -2.07 0.00 0.00 38.32 37.25 2q2a h ASN 176 CO 0.64 0.61 -0.58 0.00 0.07 0.00 0.00 177.43 178.16 2q2a h ALA 177 N 1.35 1.02 -0.10 4.14 0.00 -1.93 0.57 119.26 124.31 2q2a h ALA 177 Ca 0.34 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2q2a h ALA 177 Cb 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2q2a h ALA 177 CO -0.12 0.73 -0.08 0.28 0.00 0.00 0.00 179.25 180.06 2q2a h VAL 178 N 0.00 1.34 -0.40 0.00 2.07 -1.61 -1.23 116.25 116.43 2q2a h VAL 178 Ca -0.01 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 2q2a h VAL 178 Cb 1.04 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 2q2a h VAL 178 CO 0.08 0.33 0.14 0.00 0.02 0.00 0.00 177.57 178.14 2q2a h ALA 179 N 0.61 0.52 -0.59 1.67 0.00 -1.11 -1.39 119.26 118.97 2q2a h ALA 179 Ca 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2q2a h ALA 179 Cb 0.57 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2q2a h ALA 179 CO 0.02 0.14 0.36 -0.91 0.00 0.00 0.00 179.25 178.86 2q2a h ASN 180 N 0.49 0.70 -0.66 0.00 2.35 -0.92 -1.89 115.58 115.65 2q2a h ASN 180 Ca 0.13 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 2q2a h ASN 180 Cb 0.22 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 2q2a h ASN 180 CO -0.01 0.55 0.12 -0.08 -1.65 0.00 0.00 177.43 176.36 2q2a h GLU 181 N 0.79 1.10 -0.36 0.81 4.57 -1.10 -1.10 114.58 119.30 2q2a h GLU 181 Ca 0.21 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2q2a h GLU 181 Cb -0.03 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 2q2a h GLU 181 CO -0.04 1.00 0.16 -0.92 -1.18 0.00 0.00 179.01 178.02 2q2a h TYR 182 N 1.03 0.53 -0.40 0.92 3.20 -0.92 -0.90 116.97 120.42 2q2a h TYR 182 Ca 0.21 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2q2a h TYR 182 Cb 0.43 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2q2a h TYR 182 CO 0.03 0.47 0.20 0.28 -1.64 0.00 0.00 178.16 177.50 2q2a h VAL 183 N 0.43 1.17 -0.82 1.81 2.07 -1.15 -1.35 116.25 118.42 2q2a h VAL 183 Ca 0.12 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2q2a h VAL 183 Cb 0.16 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2q2a h VAL 183 CO -0.01 0.18 0.52 0.50 0.02 0.00 0.00 177.57 178.78 2q2a h LYS 184 N 0.52 1.09 0.00 1.57 1.63 -0.97 -2.73 116.57 117.68 2q2a h LYS 184 Ca 0.14 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2q2a h LYS 184 Cb 0.11 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 2q2a h LYS 184 CO -0.02 0.75 -0.19 0.09 -3.45 0.00 0.00 179.45 176.63 2q2a n ASN 185 N -4.49 0.38 -3.00 4.20 3.02 -0.36 -4.39 115.26 110.62 2q2a n ASN 185 Ca 0.08 0.31 -0.18 0.00 -0.03 0.00 0.00 54.58 54.76 2q2a n ASN 185 Cb 0.04 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.75 1.83 -0.00 6.41 3.02 -0.52 -4.92 115.26 119.33 2q2a n ASN 186 Ca 0.06 -3.12 0.10 0.00 -0.03 0.00 0.00 54.58 51.59 2q2a n ASN 186 Cb 0.37 -0.58 0.51 0.00 -0.61 0.00 0.00 39.78 39.47 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 2.97 0.35 0.00 3.52 0.13 -1.75 -1.76 132.00 135.46 2q2a h PRO 187 Ca 0.08 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2q2a h PRO 187 Cb 0.92 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2q2a h PRO 187 CO 0.58 0.23 -0.01 -2.95 -0.23 0.00 0.00 178.00 175.62 2q2a h ASN 188 N 0.36 0.00 0.75 1.44 -1.07 -1.91 -2.38 115.58 112.78 2q2a h ASN 188 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.57 2q2a h ASN 188 Cb 0.32 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.57 2q2a h ASN 188 CO -0.05 0.01 -0.28 0.29 0.07 0.00 0.00 177.43 177.47 2q2a n LYS 189 N -3.16 0.02 -3.77 4.14 4.76 -0.66 -4.96 118.16 114.53 2q2a n LYS 189 Ca -0.02 0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.21 2q2a n LYS 189 Cb 0.15 -1.52 0.02 0.00 -1.84 0.00 0.00 35.03 31.85 2q2a n LYS 189 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2q2a n LYS 190 N -1.55 -4.52 -3.13 1.97 4.76 -0.90 -4.84 118.16 109.96 2q2a n LYS 190 Ca 0.06 0.57 -0.20 0.00 -2.87 0.00 0.00 58.31 55.87 2q2a n LYS 190 Cb 0.34 -5.02 0.01 0.00 -1.84 0.00 0.00 35.03 28.52 2q2a n LYS 190 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2q2a s LEU 191 N -6.76 3.73 0.05 -0.35 1.43 -1.26 -0.14 118.68 115.37 2q2a s LEU 191 Ca 0.01 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 52.95 2q2a s LEU 191 Cb -0.01 -2.86 -0.00 0.00 0.03 0.00 0.00 46.19 43.35 2q2a s LEU 191 CO 0.83 -0.67 0.17 0.00 0.23 0.00 0.00 176.35 176.91 2q2a s GLN 192 N -4.39 0.70 -0.19 1.70 -2.07 0.32 -4.66 119.66 111.06 2q2a s GLN 192 Ca 0.50 -0.72 -0.06 0.00 -1.82 0.00 0.00 55.36 53.26 2q2a s GLN 192 Cb -0.10 0.28 -0.03 0.00 -1.09 0.00 0.00 33.01 32.07 2q2a s GLN 192 CO 0.34 -0.20 0.02 0.08 -1.32 0.00 0.00 175.29 174.22 2q2a s VAL 193 N -2.81 4.26 -0.29 3.63 1.01 -1.26 -1.44 120.40 123.49 2q2a s VAL 193 Ca -0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 2q2a s VAL 193 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.46 2q2a s VAL 193 CO -0.05 0.44 0.09 -0.63 0.00 0.00 0.00 175.10 174.94 2q2a s ILE 194 N 0.75 4.09 0.05 2.22 -1.09 0.88 -4.98 121.20 123.12 2q2a s ILE 194 Ca 0.01 -0.56 -0.10 0.00 -2.23 0.00 0.00 60.65 57.77 2q2a s ILE 194 Cb -0.14 -3.07 -0.06 0.00 -1.58 0.00 0.00 42.46 37.62 2q2a s ILE 194 CO 0.02 0.13 0.37 -1.61 -1.23 0.00 0.00 174.94 172.63 2q2a s GLU 195 N 1.53 3.74 -0.44 2.79 2.02 -1.26 -0.80 118.70 126.29 2q2a s GLU 195 Ca 0.04 0.16 0.05 0.00 0.02 0.00 0.00 54.97 55.24 2q2a s GLU 195 Cb -0.17 -3.04 0.19 0.00 0.10 0.00 0.00 34.13 31.22 2q2a s GLU 195 CO 0.03 0.59 0.42 -3.47 0.02 0.00 0.00 175.26 172.85 2q2a n ASP 196 N 1.07 0.18 0.24 -0.19 -0.08 -1.26 -4.91 116.55 111.60 2q2a n ASP 196 Ca -0.09 -2.58 0.10 0.00 -1.51 0.00 0.00 54.79 50.71 2q2a n ASP 196 Cb 0.52 -0.60 0.62 0.00 2.34 0.00 0.00 41.12 44.01 2q2a n ASP 196 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2q2a h PRO 197 N 5.12 0.00 0.00 -0.67 0.13 -1.94 -0.42 132.00 134.22 2q2a h PRO 197 Ca 0.20 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.25 2q2a h PRO 197 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2q2a h PRO 197 CO 0.45 0.16 -0.39 -0.22 -0.23 0.00 0.00 178.00 177.77 2q2a h LYS 198 N 0.00 0.00 0.00 0.86 3.64 -2.03 -3.32 116.57 115.72 2q2a h LYS 198 Ca -0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 2q2a h LYS 198 Cb 0.37 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2q2a h LYS 198 CO 0.02 0.39 -0.88 -0.97 -2.27 0.00 0.00 179.45 175.74 2q2a h ASN 199 N 0.00 0.00 -3.57 4.20 -0.73 -1.69 -3.48 115.58 110.32 2q2a h ASN 199 Ca -0.00 -0.61 -0.52 0.00 1.87 0.00 0.00 56.30 57.03 2q2a h ASN 199 Cb 0.72 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.28 2q2a h ASN 199 CO 0.05 1.32 0.03 -0.36 -0.37 0.00 0.00 177.43 178.10 2q2a s PHE 200 N -2.31 3.49 0.35 0.67 0.08 -0.28 -5.08 117.98 114.90 2q2a s PHE 200 Ca -0.25 1.18 -0.01 0.00 0.12 0.00 0.00 56.93 57.96 2q2a s PHE 200 Cb 0.03 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 2q2a s PHE 200 CO 0.60 0.24 0.57 0.00 -0.10 0.00 0.00 175.22 176.53 2q2a s ALA 201 N -1.75 3.65 0.31 5.36 0.00 -1.26 -4.75 121.76 123.33 2q2a s ALA 201 Ca 0.47 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 2q2a s ALA 201 Cb -0.13 -2.20 -0.10 0.00 0.00 0.00 0.00 23.12 20.69 2q2a s ALA 201 CO 0.19 0.01 1.25 -1.12 0.00 0.00 0.00 175.76 176.09 2q2a s SER 202 N -3.84 6.91 0.04 0.00 0.01 -1.26 -4.43 113.70 111.13 2q2a s SER 202 Ca 0.42 2.57 0.05 0.00 1.31 0.00 0.00 55.95 60.30 2q2a s SER 202 Cb -0.10 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 2q2a s SER 202 CO 0.36 -0.43 -0.16 -1.61 0.41 0.00 0.00 173.24 171.81 2q2a s GLU 203 N -1.66 1.04 -0.03 12.44 2.02 -0.16 -5.01 118.70 127.35 2q2a s GLU 203 Ca 0.48 -0.81 0.05 0.00 0.02 0.00 0.00 54.97 54.71 2q2a s GLU 203 Cb -0.38 -1.08 -0.01 0.00 0.10 0.00 0.00 34.13 32.76 2q2a s GLU 203 CO 0.49 0.27 -0.19 0.71 0.02 0.00 0.00 175.26 176.56 2q2a s TYR 204 N -0.85 1.79 0.11 1.61 2.02 -1.26 -0.84 117.35 119.92 2q2a s TYR 204 Ca 0.03 -0.41 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 2q2a s TYR 204 Cb -0.08 -1.17 -0.07 0.00 -0.40 0.00 0.00 41.96 40.24 2q2a s TYR 204 CO 0.01 -0.09 0.54 0.71 -1.57 0.00 0.00 175.55 175.16 2q2a s TYR 205 N -0.27 3.68 0.10 2.71 2.02 -0.21 -0.40 117.35 124.98 2q2a s TYR 205 Ca 0.03 1.12 0.02 0.00 -0.37 0.00 0.00 57.07 57.87 2q2a s TYR 205 Cb -0.09 -2.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.02 2q2a s TYR 205 CO 0.01 0.50 -0.07 0.20 -1.57 0.00 0.00 175.55 174.62 2q2a s GLY 206 N -1.45 0.79 0.53 0.71 0.00 -0.44 -0.94 107.32 106.50 2q2a s GLY 206 Ca 0.33 -1.34 -0.19 0.00 0.00 0.00 0.00 44.72 43.52 2q2a s GLY 206 CO 0.18 -1.45 1.07 1.06 0.00 0.00 0.00 173.10 173.97 2q2a s MET 207 N -3.75 3.56 0.08 2.90 -1.94 -1.26 -4.36 119.30 114.53 2q2a s MET 207 Ca 0.12 1.40 0.09 0.00 -1.71 0.00 0.00 55.69 55.59 2q2a s MET 207 Cb 0.05 -2.05 -0.03 0.00 2.01 0.00 0.00 34.83 34.80 2q2a s MET 207 CO -0.04 -0.64 -0.24 -1.50 -0.01 0.00 0.00 175.02 172.59 2q2a s ILE 208 N -2.01 1.99 0.04 2.53 2.07 -0.44 -0.32 121.20 125.06 2q2a s ILE 208 Ca 0.68 -1.50 -0.03 0.00 -1.41 0.00 0.00 60.65 58.39 2q2a s ILE 208 Cb -0.18 -1.75 -0.02 0.00 0.13 0.00 0.00 42.46 40.63 2q2a s ILE 208 CO 0.25 0.15 0.03 -0.36 -1.91 0.00 0.00 174.94 173.11 2q2a s PHE 209 N -0.96 0.32 0.74 3.50 0.08 0.15 -0.12 117.98 121.69 2q2a s PHE 209 Ca 0.10 -0.72 -0.15 0.00 0.12 0.00 0.00 56.93 56.29 2q2a s PHE 209 Cb -0.10 -0.24 0.04 0.00 -0.57 0.00 0.00 43.02 42.16 2q2a s PHE 209 CO 0.04 -0.34 1.22 -2.14 -0.10 0.00 0.00 175.22 173.89 2q2a s PRO 210 N -2.91 2.07 0.24 0.24 0.02 -1.26 -1.05 135.00 132.35 2q2a s PRO 210 Ca -0.02 1.79 -0.31 0.00 0.02 0.00 0.00 61.00 62.48 2q2a s PRO 210 Cb 0.01 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.58 2q2a s PRO 210 CO -0.06 -1.90 1.46 1.17 -0.33 0.00 0.00 177.00 177.34 2q2a n LYS 211 N -2.76 2.18 -1.19 5.54 3.00 -1.25 -2.16 118.16 121.52 2q2a n LYS 211 Ca 0.14 0.78 -0.05 0.00 -0.00 0.00 0.00 58.31 59.17 2q2a n LYS 211 Cb 0.50 -2.47 -0.02 0.00 0.00 0.00 0.00 35.03 33.04 2q2a n LYS 211 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2q2a n ASN 212 N 2.27 -3.59 -4.75 3.14 3.02 -1.26 -4.98 115.26 109.11 2q2a n ASN 212 Ca 0.11 0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.38 2q2a n ASN 212 Cb 0.32 -1.61 -0.02 0.00 -0.61 0.00 0.00 39.78 37.86 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 -2.94 6.60 0.22 6.41 0.15 -0.92 -4.90 113.70 118.33 2q2a s SER 213 Ca 0.00 2.72 0.23 0.00 0.70 0.00 0.00 55.95 59.60 2q2a s SER 213 Cb 0.00 -2.63 0.92 0.00 -1.71 0.00 0.00 66.02 62.61 2q2a s SER 213 CO 0.00 -0.74 1.70 -1.84 1.20 0.00 0.00 173.24 173.56 2q2a n GLU 214 N 2.30 0.18 0.17 5.44 0.00 -1.26 -3.44 120.64 124.03 2q2a n GLU 214 Ca 0.07 0.36 0.07 0.00 0.00 0.00 0.00 57.16 57.66 2q2a n GLU 214 Cb 0.40 -1.81 0.08 0.00 0.00 0.00 0.00 31.44 30.11 2q2a n GLU 214 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2q2a h LEU 215 N 0.00 0.00 -0.24 -1.84 3.38 -1.94 -3.37 115.31 111.30 2q2a h LEU 215 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2q2a h LEU 215 Cb 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2q2a h LEU 215 CO 0.00 0.27 -0.02 0.50 0.09 0.00 0.00 178.44 179.28 2q2a h LYS 216 N 0.00 0.05 -0.68 1.13 3.64 -1.97 -0.46 116.57 118.28 2q2a h LYS 216 Ca -0.01 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2q2a h LYS 216 Cb 1.21 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 2q2a h LYS 216 CO 0.03 0.03 0.14 0.00 -2.27 0.00 0.00 179.45 177.38 2q2a h ALA 217 N 1.22 0.90 -0.63 5.00 0.00 -1.83 0.32 119.26 124.23 2q2a h ALA 217 Ca 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2q2a h ALA 217 Cb 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2q2a h ALA 217 CO -0.21 0.64 0.24 0.87 0.00 0.00 0.00 179.25 180.79 2q2a h LYS 218 N 1.03 0.95 -0.33 0.00 1.57 -1.66 -1.95 116.57 116.17 2q2a h LYS 218 Ca 0.21 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2q2a h LYS 218 Cb 0.41 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2q2a h LYS 218 CO 0.01 0.81 -0.10 0.28 -0.57 0.00 0.00 179.45 179.88 2q2a h VAL 219 N 0.88 1.28 -0.42 0.50 2.07 -0.65 -1.61 116.25 118.31 2q2a h VAL 219 Ca 0.21 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.61 2q2a h VAL 219 Cb 0.22 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2q2a h VAL 219 CO -0.02 0.38 0.20 0.44 0.02 0.00 0.00 177.57 178.59 2q2a h ASP 220 N 0.44 0.27 -0.33 0.57 3.32 -0.81 0.26 116.42 120.14 2q2a h ASP 220 Ca 0.08 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 2q2a h ASP 220 Cb 0.60 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 2q2a h ASP 220 CO 0.04 0.20 0.19 -0.08 -1.72 0.00 0.00 179.24 177.86 2q2a h GLU 221 N 0.40 0.45 -0.55 3.56 4.57 -1.33 -1.89 114.58 119.78 2q2a h GLU 221 Ca 0.18 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 2q2a h GLU 221 Cb 0.11 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 2q2a h GLU 221 CO -0.14 0.35 0.08 0.00 -1.18 0.00 0.00 179.01 178.12 2q2a h ALA 222 N 1.07 1.11 -0.50 2.92 0.00 -0.99 -0.64 119.26 122.22 2q2a h ALA 222 Ca 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2q2a h ALA 222 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2q2a h ALA 222 CO -0.02 0.58 0.25 1.25 0.00 0.00 0.00 179.25 181.31 2q2a h LEU 223 N 0.84 0.64 -0.67 0.00 5.85 -0.36 0.14 115.31 121.75 2q2a h LEU 223 Ca 0.17 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2q2a h LEU 223 Cb 0.38 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2q2a h LEU 223 CO 0.01 0.58 0.44 0.11 -0.34 0.00 0.00 178.44 179.24 2q2a h LYS 224 N 0.66 0.87 -0.42 1.25 1.57 -1.06 -0.42 116.57 119.02 2q2a h LYS 224 Ca 0.17 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 2q2a h LYS 224 Cb 0.10 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 2q2a h LYS 224 CO -0.02 0.58 0.12 -0.97 -0.57 0.00 0.00 179.45 178.58 2q2a h ASN 225 N 0.90 0.09 -0.53 0.86 -0.73 -0.66 0.18 115.58 115.69 2q2a h ASN 225 Ca 0.25 0.06 -0.10 0.00 1.87 0.00 0.00 56.30 58.38 2q2a h ASN 225 Cb -0.09 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.54 2q2a h ASN 225 CO -0.06 0.09 -0.05 0.58 -0.37 0.00 0.00 177.43 177.61 2q2a h VAL 226 N 0.27 1.26 -0.09 2.57 2.07 -0.67 -1.11 116.25 120.55 2q2a h VAL 226 Ca 0.20 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 2q2a h VAL 226 Cb 0.22 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2q2a h VAL 226 CO -0.23 0.42 -0.00 0.40 0.02 0.00 0.00 177.57 178.18 2q2a h ILE 227 N 0.90 1.26 -0.18 4.57 2.04 -0.85 -1.15 117.51 124.10 2q2a h ILE 227 Ca 0.15 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 2q2a h ILE 227 Cb 0.60 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2q2a h ILE 227 CO 0.04 0.23 -0.15 0.78 0.00 0.00 0.00 178.15 179.05 2q2a h ASN 228 N -0.12 0.28 1.52 1.72 2.35 -0.46 -2.59 115.58 118.28 2q2a h ASN 228 Ca 0.03 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2q2a h ASN 228 Cb 0.37 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2q2a h ASN 228 CO 0.01 0.45 0.00 0.77 -1.65 0.00 0.00 177.43 177.01 2q2a h SER 229 N 0.27 0.00 0.00 5.81 4.64 -1.26 -3.47 113.55 119.54 2q2a h SER 229 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2q2a h SER 229 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2q2a h SER 229 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 2q2a n GLY 230 N 1.22 0.55 0.28 -0.77 0.00 -0.98 -4.97 105.19 100.52 2q2a n GLY 230 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 4.42 0.97 -0.52 1.61 1.63 -1.65 -1.75 116.57 121.28 2q2a h LYS 231 Ca 0.00 -0.27 0.08 0.00 -0.85 0.00 0.00 60.65 59.60 2q2a h LYS 231 Cb 0.00 -0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.46 2q2a h LYS 231 CO 0.00 0.94 0.16 -0.92 -3.45 0.00 0.00 179.45 176.18 2q2a h TYR 232 N 0.87 0.28 0.00 1.91 3.20 -1.49 -1.12 116.97 120.61 2q2a h TYR 232 Ca 0.17 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 2q2a h TYR 232 Cb 0.45 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 2q2a h TYR 232 CO 0.03 0.07 -0.55 1.79 -1.64 0.00 0.00 178.16 177.85 2q2a h THR 233 N 0.33 1.24 -0.36 1.81 1.35 -1.75 0.43 112.91 115.96 2q2a h THR 233 Ca 0.26 -2.01 -0.01 0.00 -0.55 0.00 0.00 66.41 64.10 2q2a h THR 233 Cb 0.30 2.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 2q2a h THR 233 CO -0.28 0.54 0.20 -0.33 -0.25 0.00 0.00 175.52 175.40 2q2a h GLU 234 N 0.00 0.50 -0.56 4.72 5.08 -0.77 0.51 114.58 124.06 2q2a h GLU 234 Ca -0.01 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2q2a h GLU 234 Cb 1.09 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2q2a h GLU 234 CO 0.07 0.41 0.16 0.82 -1.00 0.00 0.00 179.01 179.48 2q2a h ILE 235 N 0.46 1.24 -0.50 3.13 2.04 -0.70 -1.23 117.51 121.94 2q2a h ILE 235 Ca 0.13 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 2q2a h ILE 235 Cb 0.06 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2q2a h ILE 235 CO -0.02 0.31 0.12 0.22 0.00 0.00 0.00 178.15 178.77 2q2a h TYR 236 N 0.78 0.84 -0.76 1.37 3.20 -0.71 -2.44 116.97 119.27 2q2a h TYR 236 Ca 0.18 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.95 2q2a h TYR 236 Cb 0.30 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2q2a h TYR 236 CO 0.02 0.75 0.50 0.87 -1.64 0.00 0.00 178.16 178.66 2q2a h LYS 237 N 0.69 1.00 -0.35 1.82 1.57 -0.70 0.20 116.57 120.80 2q2a h LYS 237 Ca 0.16 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 2q2a h LYS 237 Cb 0.34 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 2q2a h LYS 237 CO 0.00 0.66 0.05 -0.22 -0.57 0.00 0.00 179.45 179.38 2q2a h LYS 238 N 1.03 0.16 0.00 3.15 3.64 -0.93 0.41 116.57 124.02 2q2a h LYS 238 Ca 0.28 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.41 2q2a h LYS 238 Cb -0.12 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 2q2a h LYS 238 CO -0.06 0.11 -1.35 -1.49 -2.27 0.00 0.00 179.45 174.39 2q2a h TRP 239 N 0.17 0.00 -0.00 1.91 4.06 -1.14 -3.40 115.95 117.55 2q2a h TRP 239 Ca 0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.12 2q2a h TRP 239 Cb 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 2q2a h TRP 239 CO -0.20 0.90 -0.05 1.19 -3.56 0.00 0.00 178.44 176.72 2q2a n PHE 240 N -3.13 0.00 -1.72 0.49 3.72 0.69 -5.03 117.46 112.48 2q2a n PHE 240 Ca -0.09 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.15 2q2a n PHE 240 Cb 0.96 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.45 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 0.80 1.05 3.41 1.37 0.00 0.13 -4.96 105.19 106.98 2q2a n GLY 241 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.80 1.21 0.31 1.61 -2.85 -1.26 -5.05 119.74 109.91 2q2a s LYS 242 Ca 0.00 -0.84 -0.29 0.00 -1.00 0.00 0.00 55.97 53.84 2q2a s LYS 242 Cb 0.00 0.48 -0.10 0.00 -2.06 0.00 0.00 37.83 36.15 2q2a s LYS 242 CO 0.00 -0.49 1.25 -1.21 0.10 0.00 0.00 175.35 174.99 2q2a s GLU 243 N -3.86 4.44 0.71 1.78 0.41 -1.26 -4.15 118.70 116.77 2q2a s GLU 243 Ca 0.07 2.08 -0.12 0.00 -0.41 0.00 0.00 54.97 56.60 2q2a s GLU 243 Cb 0.01 -3.12 0.02 0.00 -1.78 0.00 0.00 34.13 29.26 2q2a s GLU 243 CO -0.06 -0.07 1.08 -1.25 -0.49 0.00 0.00 175.26 174.46 2q2a s PRO 244 N -1.56 2.69 -0.67 0.39 0.04 -1.26 -5.01 135.00 129.62 2q2a s PRO 244 Ca 0.48 1.15 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 2q2a s PRO 244 Cb -0.37 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.39 2q2a s PRO 244 CO 0.48 -1.30 0.58 0.15 0.04 0.00 0.00 177.00 176.95 2q2a s LYS 245 N -4.68 3.12 0.63 4.56 1.02 -1.26 -4.95 119.74 118.17 2q2a s LYS 245 Ca 0.62 -2.17 0.39 0.00 0.02 0.00 0.00 55.97 54.82 2q2a s LYS 245 Cb -0.17 -4.21 2.10 0.00 -0.52 0.00 0.00 37.83 35.03 2q2a s LYS 245 CO 0.50 -1.27 2.28 -0.07 -0.92 0.00 0.00 175.35 175.88 2q2a h LEU 246 N 8.06 0.00 -1.87 3.17 3.38 -2.03 -1.39 115.31 124.64 2q2a h LEU 246 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 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 0.84 0.01 0.00 -2.24 0.09 0.00 0.00 178.44 177.14 2q2a h ASP 247 N 0.00 0.00 0.61 -0.43 3.04 -2.00 0.19 116.42 117.83 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 0.09 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.38 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 -0.22 4.15 3.08 -1.68 -2.86 114.38 116.85 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 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2q2a h ARG 248 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 2q2a n LEU 249 N -2.55 2.20 -0.39 3.04 4.77 0.05 -4.03 117.00 120.09 2q2a n LEU 249 Ca 0.01 -0.92 0.07 0.00 -0.03 0.00 0.00 56.01 55.14 2q2a n LEU 249 Cb 0.20 -0.14 0.15 0.00 -2.33 0.00 0.00 43.42 41.30 2q2a n LEU 249 CO 0.20 0.46 0.44 0.29 -1.33 0.00 0.00 177.39 177.44 2q2a n LYS 250 N 0.68 1.23 0.00 3.23 4.76 -1.08 -4.73 118.16 122.25 2q2a n LYS 250 Ca 0.17 -2.71 0.15 0.00 -2.87 0.00 0.00 58.31 53.06 2q2a n LYS 250 Cb 0.41 -1.38 0.81 0.00 -1.84 0.00 0.00 35.03 33.03 2q2a n LYS 250 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07