#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 2.92 0.00 -3.46 7.64 -1.26 -2.59 113.62 116.87 2q2a n SER 12 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2q2a n SER 12 Cb 0.00 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.67 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 0.71 0.91 0.21 0.23 0.00 -1.26 -5.03 105.19 100.96 2q2a n GLY 13 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 3.94 1.30 -0.02 0.00 -1.07 -5.07 105.19 102.26 2q2a n GLY 14 Ca 0.00 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.90 4.41 -1.69 1.61 5.75 -1.26 -4.77 116.55 117.70 2q2a n ASP 15 Ca 0.00 -2.62 -0.21 0.00 -0.01 0.00 0.00 54.79 51.96 2q2a n ASP 15 Cb 0.04 -0.53 -0.08 0.00 -1.03 0.00 0.00 41.12 39.52 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 0.49 1.68 0.73 6.12 0.00 -1.26 -1.81 105.19 111.14 2q2a n GLY 16 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.45 0.81 0.36 -0.02 0.00 -1.26 -4.87 105.19 99.76 2q2a n GLY 17 Ca -0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 1.27 -3.45 4.61 0.00 -1.79 -3.41 119.26 116.49 2q2a h ALA 18 Ca 0.00 -0.05 -0.39 0.00 0.00 0.00 0.00 54.91 54.47 2q2a h ALA 18 Cb 0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 17.79 17.10 2q2a h ALA 18 CO 0.00 0.52 -0.76 0.99 0.00 0.00 0.00 179.25 179.99 2q2a s THR 19 N -6.09 0.42 -0.11 0.00 2.01 -1.26 -5.10 115.64 105.51 2q2a s THR 19 Ca -0.13 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 2q2a s THR 19 Cb 0.18 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 2q2a s THR 19 CO 0.81 0.21 1.64 -0.75 -0.69 0.00 0.00 174.62 175.84 2q2a s LYS 20 N 1.03 4.04 0.61 4.92 2.20 -1.26 -4.96 119.74 126.32 2q2a s LYS 20 Ca -0.09 2.01 -0.14 0.00 -0.36 0.00 0.00 55.97 57.38 2q2a s LYS 20 Cb -0.14 -4.00 -0.03 0.00 -1.51 0.00 0.00 37.83 32.15 2q2a s LYS 20 CO -0.01 -1.00 1.04 0.15 -0.36 0.00 0.00 175.35 175.17 2q2a s LYS 21 N 4.26 3.34 0.24 4.03 -0.14 -1.26 -5.01 119.74 125.19 2q2a s LYS 21 Ca 0.73 1.07 -0.13 0.00 -1.36 0.00 0.00 55.97 56.27 2q2a s LYS 21 Cb -0.30 -2.04 -0.08 0.00 -1.68 0.00 0.00 37.83 33.73 2q2a s LYS 21 CO 0.29 -0.79 0.62 0.15 -0.76 0.00 0.00 175.35 174.86 2q2a s LYS 22 N -4.40 3.95 0.17 1.68 1.02 -1.26 -4.94 119.74 115.96 2q2a s LYS 22 Ca 0.61 0.50 -0.31 0.00 0.02 0.00 0.00 55.97 56.78 2q2a s LYS 22 Cb -0.14 -2.68 -0.10 0.00 -0.52 0.00 0.00 37.83 34.39 2q2a s LYS 22 CO 0.42 0.32 1.53 0.08 -0.92 0.00 0.00 175.35 176.78 2q2a s VAL 23 N -1.75 2.70 -0.41 3.17 1.01 -0.47 -4.85 120.40 119.80 2q2a s VAL 23 Ca 0.47 0.51 -0.17 0.00 0.00 0.00 0.00 61.98 62.79 2q2a s VAL 23 Cb -0.12 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2q2a s VAL 23 CO 0.20 0.04 0.44 -0.69 0.00 0.00 0.00 175.10 175.09 2q2a s VAL 24 N 1.02 5.09 -0.16 2.92 1.01 -1.26 -0.83 120.40 128.19 2q2a s VAL 24 Ca 0.68 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 2q2a s VAL 24 Cb -0.43 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 2q2a s VAL 24 CO 0.32 -0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 174.30 2q2a s VAL 25 N 2.15 3.80 0.24 2.92 1.01 -0.08 -1.10 120.40 129.33 2q2a s VAL 25 Ca 0.12 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.79 2q2a s VAL 25 Cb -0.17 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2q2a s VAL 25 CO 0.14 0.49 0.07 -0.83 0.00 0.00 0.00 175.10 174.97 2q2a s GLY 26 N 0.40 1.59 0.17 4.51 0.00 -0.24 -0.14 107.32 113.61 2q2a s GLY 26 Ca -0.04 -1.49 -0.21 0.00 0.00 0.00 0.00 44.72 42.97 2q2a s GLY 26 CO 0.03 -1.53 0.57 -1.08 0.00 0.00 0.00 173.10 171.09 2q2a s THR 27 N -2.11 0.01 -0.59 0.90 -1.32 -0.58 -2.25 115.64 109.70 2q2a s THR 27 Ca 0.31 -0.30 -0.06 0.00 -1.21 0.00 0.00 61.69 60.44 2q2a s THR 27 Cb -0.08 -1.21 0.15 0.00 -1.51 0.00 0.00 72.50 69.86 2q2a s THR 27 CO 0.22 -0.06 0.43 -0.62 -2.21 0.00 0.00 174.62 172.38 2q2a s ASP 28 N -2.79 5.54 -1.51 8.08 2.15 -1.26 -1.52 116.67 125.36 2q2a s ASP 28 Ca 0.03 -2.53 -0.10 0.00 0.43 0.00 0.00 52.55 50.38 2q2a s ASP 28 Cb -0.01 -1.93 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 2q2a s ASP 28 CO -0.09 -0.48 2.58 0.00 -0.17 0.00 0.00 175.17 177.00 2q2a n ALA 29 N 3.98 6.69 -2.68 3.66 0.00 -1.26 -4.08 120.51 126.82 2q2a n ALA 29 Ca 0.04 -3.78 -0.08 0.00 0.00 0.00 0.00 53.44 49.62 2q2a n ALA 29 Cb 0.40 -3.31 0.06 0.00 0.00 0.00 0.00 19.45 16.61 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 4.07 2.72 -2.78 0.00 0.00 -1.15 -3.86 120.51 119.52 2q2a n ALA 30 Ca 0.65 -2.52 -0.10 0.00 0.00 0.00 0.00 53.44 51.48 2q2a n ALA 30 Cb 0.29 -0.95 0.07 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.28 -1.75 -1.76 0.00 7.35 0.46 -4.14 117.46 117.35 2q2a n PHE 31 Ca 0.05 -2.40 -0.41 0.00 -0.76 0.00 0.00 57.45 53.93 2q2a n PHE 31 Cb 0.83 1.05 0.01 0.00 0.35 0.00 0.00 39.48 41.72 2q2a n PHE 31 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2q2a n ALA 32 N -0.03 2.09 0.89 3.13 0.00 -1.17 -1.08 120.51 124.34 2q2a n ALA 32 Ca 0.06 0.30 0.08 0.00 0.00 0.00 0.00 53.44 53.89 2q2a n ALA 32 Cb 0.76 -2.39 0.26 0.00 0.00 0.00 0.00 19.45 18.08 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 0.18 1.89 0.01 0.00 -0.04 -1.26 -4.36 135.00 131.41 2q2a n PRO 33 Ca 0.03 -1.36 -0.18 0.00 -0.04 0.00 0.00 63.50 61.96 2q2a n PRO 33 Cb 0.40 -1.36 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 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 2.42 0.42 -2.44 0.54 0.04 -1.43 0.20 116.94 116.69 2q2a h PHE 34 Ca 0.00 -0.27 -0.07 0.00 2.80 0.00 0.00 57.97 60.42 2q2a h PHE 34 Cb 0.54 -0.03 -0.24 0.00 2.20 0.00 0.00 35.95 38.42 2q2a h PHE 34 CO 0.20 1.16 -0.18 -1.83 -0.60 0.00 0.00 178.31 177.06 2q2a s GLU 35 N -2.71 0.51 0.32 1.51 1.03 -1.01 -1.08 118.70 117.27 2q2a s GLU 35 Ca -0.15 0.90 -0.18 0.00 0.03 0.00 0.00 54.97 55.57 2q2a s GLU 35 Cb 0.01 0.07 0.03 0.00 -0.80 0.00 0.00 34.13 33.44 2q2a s GLU 35 CO 0.79 -0.14 0.74 1.52 -1.33 0.00 0.00 175.26 176.84 2q2a s TYR 36 N 1.29 -0.03 -0.16 4.83 -0.85 -0.17 -0.40 117.35 121.86 2q2a s TYR 36 Ca -0.08 -0.52 -0.08 0.00 -0.52 0.00 0.00 57.07 55.87 2q2a s TYR 36 Cb -0.07 0.74 -0.04 0.00 0.38 0.00 0.00 41.96 42.96 2q2a s TYR 36 CO -0.13 -1.37 0.11 -1.64 -1.52 0.00 0.00 175.55 171.00 2q2a s MET 37 N -3.25 3.82 -0.07 -3.49 -1.94 -1.25 -0.52 119.30 112.60 2q2a s MET 37 Ca 0.13 -0.23 -0.03 0.00 -1.71 0.00 0.00 55.69 53.85 2q2a s MET 37 Cb -0.05 -3.26 0.04 0.00 2.01 0.00 0.00 34.83 33.57 2q2a s MET 37 CO 0.09 0.47 0.06 -1.14 -0.01 0.00 0.00 175.02 174.50 2q2a s GLN 38 N -0.16 -0.01 -1.47 2.03 0.74 -0.50 -4.89 119.66 115.41 2q2a s GLN 38 Ca 0.09 0.25 -0.08 0.00 0.05 0.00 0.00 55.36 55.67 2q2a s GLN 38 Cb -0.12 -0.87 0.06 0.00 1.10 0.00 0.00 33.01 33.18 2q2a s GLN 38 CO 0.01 -0.42 0.79 1.63 -0.55 0.00 0.00 175.29 176.75 2q2a n LYS 39 N 5.29 -4.74 -0.29 1.67 5.02 -1.26 -1.26 118.16 122.59 2q2a n LYS 39 Ca -0.04 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 2q2a n LYS 39 Cb 0.50 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 2q2a n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q2a n GLY 40 N -1.67 2.13 3.70 0.72 0.00 -1.26 -5.02 105.19 103.79 2q2a n GLY 40 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.10 2.63 -0.11 1.61 -0.14 -0.39 -5.09 119.74 118.14 2q2a s LYS 41 Ca 0.00 -0.78 -0.26 0.00 -1.36 0.00 0.00 55.97 53.57 2q2a s LYS 41 Cb 0.00 -2.58 -0.02 0.00 -1.68 0.00 0.00 37.83 33.54 2q2a s LYS 41 CO 0.00 0.56 0.84 0.42 -0.76 0.00 0.00 175.35 176.40 2q2a s ILE 42 N -1.29 4.91 0.18 2.17 1.01 -1.26 -1.41 121.20 125.51 2q2a s ILE 42 Ca 0.25 1.69 0.05 0.00 0.00 0.00 0.00 60.65 62.64 2q2a s ILE 42 Cb -0.12 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2q2a s ILE 42 CO 0.18 0.10 -0.09 0.68 0.00 0.00 0.00 174.94 175.81 2q2a s VAL 43 N 1.65 1.24 0.00 2.92 -7.23 0.32 -4.96 120.40 114.34 2q2a s VAL 43 Ca 0.41 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 2q2a s VAL 43 Cb -0.18 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.76 2q2a s VAL 43 CO 0.16 -0.62 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 2q2a n GLY 44 N -0.28 1.75 0.16 2.32 0.00 -1.26 -1.00 105.19 106.87 2q2a n GLY 44 Ca -0.09 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.04 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 0.17 -0.52 1.61 3.57 -0.71 -1.68 116.94 119.38 2q2a h PHE 45 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2q2a h PHE 45 Cb 0.00 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2q2a h PHE 45 CO 0.00 0.05 0.20 -0.44 -2.23 0.00 0.00 178.31 175.89 2q2a h ASP 46 N 0.23 0.68 -0.27 0.41 3.32 -1.35 -1.24 116.42 118.21 2q2a h ASP 46 Ca 0.17 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2q2a h ASP 46 Cb 0.17 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2q2a h ASP 46 CO -0.20 0.63 0.09 0.58 -1.72 0.00 0.00 179.24 178.62 2q2a h VAL 47 N 0.74 1.19 -0.42 -1.35 2.07 -1.47 0.13 116.25 117.15 2q2a h VAL 47 Ca 0.18 -0.62 -0.13 0.00 0.82 0.00 0.00 66.70 66.95 2q2a h VAL 47 Cb 0.16 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2q2a h VAL 47 CO -0.02 0.20 -0.25 0.44 0.02 0.00 0.00 177.57 177.97 2q2a h ASP 48 N 0.28 0.95 -0.24 0.57 3.32 -1.15 -1.87 116.42 118.29 2q2a h ASP 48 Ca 0.09 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 2q2a h ASP 48 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2q2a h ASP 48 CO -0.00 1.17 0.02 0.25 -1.72 0.00 0.00 179.24 178.95 2q2a h LEU 49 N 0.75 0.40 -0.61 1.55 5.85 -1.17 -2.20 115.31 119.89 2q2a h LEU 49 Ca 0.09 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.59 2q2a h LEU 49 Cb 0.83 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 2q2a h LEU 49 CO 0.07 0.59 0.29 0.25 -0.34 0.00 0.00 178.44 179.31 2q2a h LEU 50 N 0.20 0.40 -1.02 2.25 5.85 -0.64 0.14 115.31 122.48 2q2a h LEU 50 Ca 0.07 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2q2a h LEU 50 Cb 0.38 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2q2a h LEU 50 CO 0.01 0.25 0.23 -0.78 -0.34 0.00 0.00 178.44 177.82 2q2a h ASP 51 N 0.54 0.86 -0.21 1.25 3.58 -1.14 0.67 116.42 121.97 2q2a h ASP 51 Ca 0.28 -0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.50 2q2a h ASP 51 Cb 0.24 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 2q2a h ASP 51 CO -0.22 0.79 -0.30 0.00 -2.88 0.00 0.00 179.24 176.63 2q2a h ALA 52 N 1.34 0.32 0.19 -0.78 0.00 -0.77 -2.35 119.26 117.22 2q2a h ALA 52 Ca 0.21 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2q2a h ALA 52 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2q2a h ALA 52 CO -0.02 0.34 -0.09 0.28 0.00 0.00 0.00 179.25 179.76 2q2a h VAL 53 N 0.26 0.88 -0.70 0.00 2.07 -0.12 -1.29 116.25 117.35 2q2a h VAL 53 Ca 0.02 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2q2a h VAL 53 Cb 0.87 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2q2a h VAL 53 CO 0.07 0.09 0.35 0.24 0.02 0.00 0.00 177.57 178.34 2q2a h MET 54 N -0.45 0.99 -0.45 1.57 2.07 -0.97 -0.11 114.93 117.60 2q2a h MET 54 Ca -0.03 -0.12 -0.05 0.00 -2.07 0.00 0.00 59.70 57.43 2q2a h MET 54 Cb 0.34 -0.19 -0.02 0.00 -1.87 0.00 0.00 31.60 29.86 2q2a h MET 54 CO 0.04 0.75 0.08 0.87 1.07 0.00 0.00 176.91 179.72 2q2a h LYS 55 N 0.99 0.74 -0.65 1.72 1.57 -1.34 -0.57 116.57 119.03 2q2a h LYS 55 Ca 0.25 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2q2a h LYS 55 Cb 0.08 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2q2a h LYS 55 CO -0.03 0.76 0.43 0.00 -0.57 0.00 0.00 179.45 180.03 2q2a h ALA 56 N 0.95 1.57 0.00 3.86 0.00 -0.75 -2.21 119.26 122.68 2q2a h ALA 56 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2q2a h ALA 56 Cb 0.38 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2q2a h ALA 56 CO 0.01 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2q2a n ALA 57 N -2.44 2.29 -2.21 0.00 0.00 -0.10 -4.87 120.51 113.19 2q2a n ALA 57 Ca 0.07 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2q2a n ALA 57 Cb 0.07 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.04 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 1.39 -0.10 3.25 0.00 0.00 -0.45 -5.01 105.19 104.28 2q2a n GLY 58 Ca 0.06 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.59 4.37 0.51 0.99 1.43 -0.35 -5.03 118.68 117.00 2q2a s LEU 59 Ca 0.00 -1.22 -0.22 0.00 -1.03 0.00 0.00 54.13 51.66 2q2a s LEU 59 Cb 0.00 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 2q2a s LEU 59 CO 0.00 -0.34 1.24 -1.81 0.23 0.00 0.00 176.35 175.67 2q2a s ASP 60 N 1.46 5.68 0.16 2.29 1.01 -1.26 -4.61 116.67 121.40 2q2a s ASP 60 Ca -0.01 2.49 -0.19 0.00 0.71 0.00 0.00 52.55 55.54 2q2a s ASP 60 Cb -0.20 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.16 2q2a s ASP 60 CO 0.02 -1.27 0.52 -0.72 0.21 0.00 0.00 175.17 173.93 2q2a s TYR 61 N -1.47 -0.29 -0.03 4.23 -0.85 -1.26 -1.37 117.35 116.30 2q2a s TYR 61 Ca 0.69 -0.00 0.05 0.00 -0.52 0.00 0.00 57.07 57.28 2q2a s TYR 61 Cb -0.33 0.42 -0.01 0.00 0.38 0.00 0.00 41.96 42.42 2q2a s TYR 61 CO 0.39 -0.83 -0.17 -1.21 -1.52 0.00 0.00 175.55 172.20 2q2a s GLU 62 N -3.81 1.65 -0.24 -3.49 2.02 -0.01 -4.88 118.70 109.94 2q2a s GLU 62 Ca 0.04 -0.62 -0.08 0.00 0.02 0.00 0.00 54.97 54.34 2q2a s GLU 62 Cb -0.00 -1.49 -0.03 0.00 0.10 0.00 0.00 34.13 32.70 2q2a s GLU 62 CO -0.09 0.29 0.09 -1.17 0.02 0.00 0.00 175.26 174.41 2q2a s LEU 63 N -0.12 3.62 -0.16 1.80 2.96 -1.26 -0.90 118.68 124.61 2q2a s LEU 63 Ca 0.00 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2q2a s LEU 63 Cb -0.10 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 2q2a s LEU 63 CO 0.01 -0.00 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.43 2q2a s LYS 64 N 1.44 3.51 -1.23 1.98 -0.14 0.80 -5.00 119.74 121.10 2q2a s LYS 64 Ca 0.06 -0.60 -0.18 0.00 -1.36 0.00 0.00 55.97 53.89 2q2a s LYS 64 Cb -0.15 -2.84 0.08 0.00 -1.68 0.00 0.00 37.83 33.25 2q2a s LYS 64 CO 0.05 0.13 1.62 1.21 -0.76 0.00 0.00 175.35 177.60 2q2a s ASN 65 N 0.61 6.81 0.00 2.83 2.47 -1.26 -1.53 114.94 124.87 2q2a s ASN 65 Ca -0.04 -2.35 0.22 0.00 0.42 0.00 0.00 52.86 51.11 2q2a s ASN 65 Cb -0.15 -2.54 0.03 0.00 -1.45 0.00 0.00 41.25 37.14 2q2a s ASN 65 CO 0.03 -1.16 1.08 2.30 -3.72 0.00 0.00 177.10 175.62 2q2a n ILE 66 N 6.18 0.01 0.00 -5.21 -5.35 -0.58 -4.92 119.36 109.49 2q2a n ILE 66 Ca 0.44 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.90 2q2a n ILE 66 Cb 0.46 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 2q2a n ILE 66 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q2a n GLY 67 N 1.49 0.16 0.11 3.28 0.00 -0.85 -4.55 105.19 104.84 2q2a n GLY 67 Ca 0.04 -1.80 -0.04 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.21 -0.84 1.61 2.91 -1.85 -0.47 115.95 117.10 2q2a h TRP 68 Ca 0.00 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 2q2a h TRP 68 Cb 0.00 0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 28.68 2q2a h TRP 68 CO 0.00 -0.13 0.39 -0.44 -1.03 0.00 0.00 178.44 177.23 2q2a h ASP 69 N -0.69 1.12 -0.56 2.65 3.32 -1.91 -1.90 116.42 118.44 2q2a h ASP 69 Ca -0.02 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 56.91 2q2a h ASP 69 Cb 0.18 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 2q2a h ASP 69 CO 0.04 0.95 0.37 -0.65 -1.72 0.00 0.00 179.24 178.23 2q2a h PRO 70 N 1.21 0.66 -0.04 3.56 0.11 -1.81 -1.87 132.00 133.82 2q2a h PRO 70 Ca 0.29 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.37 2q2a h PRO 70 Cb 0.14 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2q2a h PRO 70 CO -0.03 0.44 -0.06 1.25 -0.21 0.00 0.00 178.00 179.38 2q2a h LEU 71 N 0.68 -0.18 -0.66 2.35 5.85 -0.24 -0.76 115.31 122.35 2q2a h LEU 71 Ca 0.22 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 2q2a h LEU 71 Cb 0.04 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2q2a h LEU 71 CO -0.06 -0.09 0.00 -0.26 -0.34 0.00 0.00 178.44 177.70 2q2a h PHE 72 N -0.09 1.14 -0.92 1.25 -1.00 -1.32 -1.02 116.94 114.98 2q2a h PHE 72 Ca 0.04 -0.19 -0.00 0.00 2.81 0.00 0.00 57.97 60.63 2q2a h PHE 72 Cb 0.14 -0.30 -0.04 0.00 3.61 0.00 0.00 35.95 39.36 2q2a h PHE 72 CO -0.15 1.00 0.57 0.00 -1.61 0.00 0.00 178.31 178.12 2q2a h ALA 73 N 1.03 1.26 0.00 2.45 0.00 -1.14 -2.15 119.26 120.71 2q2a h ALA 73 Ca 0.17 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 2q2a h ALA 73 Cb 0.55 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2q2a h ALA 73 CO 0.03 0.64 -0.84 0.77 0.00 0.00 0.00 179.25 179.85 2q2a h SER 74 N 1.27 0.09 -0.57 0.00 0.02 -0.88 -2.59 113.55 110.89 2q2a h SER 74 Ca 0.33 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2q2a h SER 74 Cb -0.07 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2q2a h SER 74 CO -0.06 0.89 0.32 -0.07 -1.14 0.00 0.00 176.83 176.77 2q2a h LEU 75 N 0.04 0.71 -0.92 5.07 3.38 -1.08 -0.81 115.31 121.70 2q2a h LEU 75 Ca -0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2q2a h LEU 75 Cb 1.47 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 2q2a h LEU 75 CO 0.12 0.60 0.21 1.56 0.09 0.00 0.00 178.44 181.02 2q2a h GLN 76 N 0.77 1.00 0.00 1.13 4.20 -1.15 -2.09 115.11 118.97 2q2a h GLN 76 Ca 0.20 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2q2a h GLN 76 Cb 0.04 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.66 2q2a h GLN 76 CO -0.03 0.85 -0.24 -1.13 -0.67 0.00 0.00 178.83 177.61 2q2a n SER 77 N -4.27 0.54 -0.08 1.46 3.41 -1.00 -4.93 113.62 108.75 2q2a n SER 77 Ca 0.05 0.32 -0.01 0.00 -0.26 0.00 0.00 58.87 58.97 2q2a n SER 77 Cb 0.21 -0.32 -0.00 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.93 -0.79 0.25 4.33 5.02 -0.43 -4.90 118.16 119.71 2q2a n LYS 78 Ca 0.05 0.27 0.09 0.00 -2.02 0.00 0.00 58.31 56.71 2q2a n LYS 78 Cb 0.40 -3.92 0.65 0.00 -0.02 0.00 0.00 35.03 32.14 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 0.52 0.00 -5.62 1.97 4.81 -1.51 -3.39 114.58 111.36 2q2a h GLU 79 Ca -0.02 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.55 2q2a h GLU 79 Cb 0.43 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 29.57 2q2a h GLU 79 CO 0.03 0.08 -0.72 0.08 -0.73 0.00 0.00 179.01 177.75 2q2a s VAL 80 N -4.71 3.41 -0.17 0.32 1.01 -0.83 -4.94 120.40 114.49 2q2a s VAL 80 Ca -0.04 -0.55 0.18 0.00 0.00 0.00 0.00 61.98 61.56 2q2a s VAL 80 Cb 0.16 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2q2a s VAL 80 CO 0.65 0.54 1.03 0.44 0.00 0.00 0.00 175.10 177.76 2q2a h ASP 81 N 6.22 0.00 -4.94 3.32 3.32 -1.32 -3.38 116.42 119.63 2q2a h ASP 81 Ca -0.35 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 2q2a h ASP 81 Cb 1.19 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.57 2q2a h ASP 81 CO 0.56 0.41 0.22 -0.32 -1.72 0.00 0.00 179.24 178.40 2q2a s MET 82 N -3.04 1.10 0.03 3.56 0.00 -1.03 -4.26 119.30 115.65 2q2a s MET 82 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 55.69 55.72 2q2a s MET 82 Cb 0.08 0.51 -0.02 0.00 0.00 0.00 0.00 34.83 35.41 2q2a s MET 82 CO 0.79 -0.39 -0.06 0.20 0.00 0.00 0.00 175.02 175.55 2q2a s GLY 83 N -1.70 0.38 -0.03 2.11 0.00 0.12 -1.07 107.32 107.13 2q2a s GLY 83 Ca -0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 2q2a s GLY 83 CO 0.02 -0.59 0.03 -1.50 0.00 0.00 0.00 173.10 171.06 2q2a s ILE 84 N -0.98 0.02 -0.06 0.90 2.07 -0.96 -1.12 121.20 121.08 2q2a s ILE 84 Ca -0.07 0.24 0.02 0.00 -1.41 0.00 0.00 60.65 59.43 2q2a s ILE 84 Cb -0.07 -0.19 0.07 0.00 0.13 0.00 0.00 42.46 42.40 2q2a s ILE 84 CO 0.00 0.14 0.65 -0.24 -1.91 0.00 0.00 174.94 173.59 2q2a n SER 85 N 4.58 -0.54 -3.21 4.50 2.88 -1.26 -4.42 113.62 116.14 2q2a n SER 85 Ca -0.19 -1.16 -0.21 0.00 -1.33 0.00 0.00 58.87 55.99 2q2a n SER 85 Cb 0.50 0.20 0.07 0.00 -0.75 0.00 0.00 64.21 64.24 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 -0.26 -0.36 3.61 0.46 0.00 -1.26 -4.87 105.19 102.51 2q2a n GLY 86 Ca -0.11 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.28 5.04 0.15 -0.61 1.01 -1.26 -4.98 121.20 117.27 2q2a s ILE 87 Ca 0.48 0.88 -0.31 0.00 0.00 0.00 0.00 60.65 61.71 2q2a s ILE 87 Cb -0.21 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.30 2q2a s ILE 87 CO 0.64 0.03 1.34 -0.89 0.00 0.00 0.00 174.94 176.06 2q2a s THR 88 N 2.38 3.28 -0.10 2.92 2.01 -1.26 -1.32 115.64 123.56 2q2a s THR 88 Ca 0.22 0.98 -0.30 0.00 0.31 0.00 0.00 61.69 62.91 2q2a s THR 88 Cb -0.15 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2q2a s THR 88 CO 0.10 0.11 1.42 -0.63 -0.69 0.00 0.00 174.62 174.93 2q2a s ILE 89 N 0.63 3.94 0.11 1.82 1.01 0.12 -4.88 121.20 123.95 2q2a s ILE 89 Ca 0.61 1.18 0.05 0.00 0.00 0.00 0.00 60.65 62.48 2q2a s ILE 89 Cb -0.36 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2q2a s ILE 89 CO 0.34 -0.08 -0.12 0.42 0.00 0.00 0.00 174.94 175.50 2q2a s THR 90 N 3.48 1.10 0.21 2.92 -4.23 -1.26 -4.70 115.64 113.16 2q2a s THR 90 Ca 0.63 -1.67 -0.11 0.00 -1.18 0.00 0.00 61.69 59.37 2q2a s THR 90 Cb -0.27 -1.42 0.14 0.00 1.34 0.00 0.00 72.50 72.29 2q2a s THR 90 CO 0.22 -0.50 1.87 0.44 -0.54 0.00 0.00 174.62 176.11 2q2a h ASP 91 N 3.55 0.81 -0.55 3.99 3.32 -1.99 -0.84 116.42 124.71 2q2a h ASP 91 Ca -0.38 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 2q2a h ASP 91 Cb 1.19 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 2q2a h ASP 91 CO 0.52 0.58 0.29 -0.08 -1.72 0.00 0.00 179.24 178.82 2q2a h GLU 92 N 0.95 0.78 -0.30 3.56 4.81 -2.01 -2.70 114.58 119.67 2q2a h GLU 92 Ca 0.27 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2q2a h GLU 92 Cb -0.08 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2q2a h GLU 92 CO -0.07 0.61 -0.11 0.00 -0.73 0.00 0.00 179.01 178.71 2q2a h ARG 93 N 0.74 0.50 0.00 1.92 3.08 -1.85 -2.77 114.38 116.00 2q2a h ARG 93 Ca 0.19 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2q2a h ARG 93 Cb 0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2q2a h ARG 93 CO -0.03 0.61 -0.02 0.87 -1.07 0.00 0.00 179.97 180.33 2q2a h LYS 94 N 0.47 0.00 -0.53 0.04 1.57 -0.84 0.12 116.57 117.40 2q2a h LYS 94 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2q2a h LYS 94 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2q2a h LYS 94 CO 0.03 0.02 0.27 1.96 -0.57 0.00 0.00 179.45 181.16 2q2a h GLN 95 N 0.00 0.73 0.00 3.15 4.20 -1.34 -3.32 115.11 118.53 2q2a h GLN 95 Ca -0.00 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 2q2a h GLN 95 Cb 0.07 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2q2a h GLN 95 CO 0.00 0.56 -1.76 0.43 -0.67 0.00 0.00 178.83 177.39 2q2a n SER 96 N -4.39 1.78 -4.20 1.46 7.64 -0.44 -5.03 113.62 110.44 2q2a n SER 96 Ca 0.05 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.81 2q2a n SER 96 Cb 0.11 1.27 -0.10 0.00 -1.01 0.00 0.00 64.21 64.48 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 -2.68 1.01 0.14 1.43 2.02 0.31 -3.77 117.35 115.81 2q2a s TYR 97 Ca -0.06 -0.86 0.02 0.00 -0.37 0.00 0.00 57.07 55.80 2q2a s TYR 97 Cb 0.07 -0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 2q2a s TYR 97 CO 0.56 -0.07 0.28 -0.51 -1.57 0.00 0.00 175.55 174.24 2q2a s ASP 98 N -3.07 6.35 0.13 2.29 1.01 -0.54 -4.23 116.67 118.61 2q2a s ASP 98 Ca 0.13 0.20 0.08 0.00 0.71 0.00 0.00 52.55 53.68 2q2a s ASP 98 Cb 0.04 -1.93 -0.04 0.00 1.01 0.00 0.00 42.92 42.01 2q2a s ASP 98 CO -0.03 0.07 -0.20 -0.36 0.21 0.00 0.00 175.17 174.86 2q2a s PHE 99 N -1.71 1.81 1.01 4.23 0.08 -1.26 -0.94 117.98 121.19 2q2a s PHE 99 Ca 0.35 -0.44 -0.12 0.00 0.12 0.00 0.00 56.93 56.84 2q2a s PHE 99 Cb -0.11 -0.95 0.19 0.00 -0.57 0.00 0.00 43.02 41.58 2q2a s PHE 99 CO 0.28 0.26 1.09 -1.54 -0.10 0.00 0.00 175.22 175.21 2q2a s SER 100 N -2.21 2.53 0.69 1.36 1.04 0.36 -4.96 113.70 112.52 2q2a s SER 100 Ca 0.10 1.23 -0.16 0.00 0.48 0.00 0.00 55.95 57.59 2q2a s SER 100 Cb -0.08 -1.90 -0.02 0.00 0.10 0.00 0.00 66.02 64.12 2q2a s SER 100 CO 0.05 -3.20 0.87 0.47 0.98 0.00 0.00 173.24 172.41 2q2a n ASP 101 N -4.22 0.17 -4.76 7.02 8.00 -1.26 -4.62 116.55 116.87 2q2a n ASP 101 Ca 0.05 0.68 -0.38 0.00 0.71 0.00 0.00 54.79 55.85 2q2a n ASP 101 Cb 0.57 -1.36 0.01 0.00 -0.02 0.00 0.00 41.12 40.32 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 -3.07 3.65 0.00 -0.24 0.04 -1.26 -4.61 135.00 129.51 2q2a s PRO 102 Ca 0.72 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.79 2q2a s PRO 102 Cb -0.36 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2q2a s PRO 102 CO 0.51 -0.72 0.41 2.48 0.04 0.00 0.00 177.00 179.72 2q2a n TYR 103 N -0.45 0.00 -3.50 0.56 0.18 0.02 -4.88 117.16 109.09 2q2a n TYR 103 Ca 0.07 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.68 2q2a n TYR 103 Cb 0.46 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.36 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 -0.01 -0.64 0.06 -3.48 5.36 -1.25 -4.98 117.98 113.05 2q2a s PHE 104 Ca 0.00 0.99 0.09 0.00 -0.96 0.00 0.00 56.93 57.05 2q2a s PHE 104 Cb 0.00 0.43 -0.03 0.00 -0.34 0.00 0.00 43.02 43.08 2q2a s PHE 104 CO 0.00 -0.65 -0.25 -2.00 -1.46 0.00 0.00 175.22 170.86 2q2a s GLU 105 N -1.62 1.78 0.36 10.12 2.12 -1.26 -1.00 118.70 129.20 2q2a s GLU 105 Ca -0.09 -1.13 -0.06 0.00 0.36 0.00 0.00 54.97 54.05 2q2a s GLU 105 Cb -0.00 -2.01 0.02 0.00 0.26 0.00 0.00 34.13 32.40 2q2a s GLU 105 CO 0.06 0.51 0.57 0.00 -0.54 0.00 0.00 175.26 175.86 2q2a s ALA 106 N -0.88 0.34 0.07 6.30 0.00 0.29 -4.97 121.76 122.91 2q2a s ALA 106 Ca 0.13 -1.30 -0.14 0.00 0.00 0.00 0.00 51.96 50.64 2q2a s ALA 106 Cb -0.10 1.01 0.02 0.00 0.00 0.00 0.00 23.12 24.05 2q2a s ALA 106 CO 0.03 -0.85 0.32 -0.08 0.00 0.00 0.00 175.76 175.19 2q2a s THR 107 N -2.80 0.09 0.45 0.00 -1.32 -1.26 -1.03 115.64 109.77 2q2a s THR 107 Ca 0.26 -0.71 -0.23 0.00 -1.21 0.00 0.00 61.69 59.80 2q2a s THR 107 Cb -0.02 -1.07 -0.08 0.00 -1.51 0.00 0.00 72.50 69.83 2q2a s THR 107 CO 0.18 -0.39 1.15 -1.10 -2.21 0.00 0.00 174.62 172.25 2q2a s GLN 108 N -3.08 3.80 0.29 7.08 -1.52 -1.26 -0.49 119.66 124.48 2q2a s GLN 108 Ca -0.01 1.73 0.02 0.00 -1.95 0.00 0.00 55.36 55.15 2q2a s GLN 108 Cb 0.01 -2.41 -0.04 0.00 -0.22 0.00 0.00 33.01 30.34 2q2a s GLN 108 CO -0.07 -0.50 0.12 0.14 -0.25 0.00 0.00 175.29 174.73 2q2a s VAL 109 N -1.57 0.49 -0.23 1.09 -7.23 -0.26 -4.73 120.40 107.96 2q2a s VAL 109 Ca 0.63 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.73 2q2a s VAL 109 Cb -0.28 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 2q2a s VAL 109 CO 0.33 0.00 0.06 -0.63 -0.31 0.00 0.00 175.10 174.56 2q2a s ILE 110 N -3.64 4.43 -0.23 -0.62 1.01 -0.27 -2.54 121.20 119.34 2q2a s ILE 110 Ca 0.36 -0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.78 2q2a s ILE 110 Cb 0.06 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2q2a s ILE 110 CO 0.15 0.38 0.12 -0.22 0.00 0.00 0.00 174.94 175.37 2q2a s LEU 111 N 1.21 3.91 0.08 2.97 2.96 0.91 -0.11 118.68 130.61 2q2a s LEU 111 Ca 0.04 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2q2a s LEU 111 Cb -0.14 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 2q2a s LEU 111 CO 0.03 0.07 0.00 0.68 -1.32 0.00 0.00 176.35 175.82 2q2a s VAL 112 N 0.99 0.19 0.44 1.68 -7.23 -0.68 -0.78 120.40 115.02 2q2a s VAL 112 Ca 0.06 -1.85 -0.25 0.00 -1.81 0.00 0.00 61.98 58.13 2q2a s VAL 112 Cb -0.14 -1.74 -0.08 0.00 0.56 0.00 0.00 36.38 34.99 2q2a s VAL 112 CO 0.04 -0.78 1.33 -0.54 -0.31 0.00 0.00 175.10 174.83 2q2a s LYS 113 N -3.97 3.77 0.51 4.82 1.02 -1.26 -0.60 119.74 124.03 2q2a s LYS 113 Ca 0.14 2.20 0.31 0.00 0.02 0.00 0.00 55.97 58.63 2q2a s LYS 113 Cb 0.08 -2.63 1.43 0.00 -0.52 0.00 0.00 37.83 36.18 2q2a s LYS 113 CO -0.05 -0.67 1.83 1.96 -0.92 0.00 0.00 175.35 177.50 2q2a h GLN 114 N 2.37 0.09 0.00 1.68 4.20 -1.43 0.14 115.11 122.16 2q2a h GLN 114 Ca -0.50 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.20 2q2a h GLN 114 Cb 1.26 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2q2a h GLN 114 CO 0.61 0.06 0.00 0.41 -0.67 0.00 0.00 178.83 179.24 2q2a n GLY 115 N -1.69 -1.04 3.75 3.46 0.00 -1.26 -4.91 105.19 103.50 2q2a n GLY 115 Ca 0.22 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.19 6.55 0.00 1.61 0.15 0.04 -4.91 113.70 114.95 2q2a s SER 116 Ca 0.39 2.79 0.28 0.00 0.70 0.00 0.00 55.95 60.11 2q2a s SER 116 Cb 0.20 -2.63 1.40 0.00 -1.71 0.00 0.00 66.02 63.28 2q2a s SER 116 CO 0.38 -0.76 1.95 -0.81 1.20 0.00 0.00 173.24 175.20 2q2a n PRO 117 N 1.96 0.40 -1.79 5.44 -0.04 -1.26 -4.87 135.00 134.84 2q2a n PRO 117 Ca 0.06 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 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 -2.57 2.68 -0.05 0.52 1.01 -1.26 -4.89 120.40 115.84 2q2a s VAL 118 Ca 0.26 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.46 2q2a s VAL 118 Cb 0.19 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2q2a s VAL 118 CO 0.42 0.00 0.07 0.29 0.00 0.00 0.00 175.10 175.89 2q2a n LYS 119 N 5.55 2.56 -3.92 2.72 5.02 -1.26 -5.02 118.16 123.81 2q2a n LYS 119 Ca 0.17 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.35 2q2a n LYS 119 Cb 0.39 -0.88 -0.02 0.00 -0.02 0.00 0.00 35.03 34.50 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 -1.86 0.02 0.32 4.39 2.20 -1.26 -4.89 114.94 113.87 2q2a s ASN 120 Ca -0.00 -0.97 0.02 0.00 -0.94 0.00 0.00 52.86 50.97 2q2a s ASN 120 Cb 0.02 0.71 0.60 0.00 -2.00 0.00 0.00 41.25 40.58 2q2a s ASN 120 CO 0.10 -1.37 1.93 0.00 -2.94 0.00 0.00 177.10 174.82 2q2a h ALA 121 N 2.09 1.57 0.00 3.54 0.00 -1.94 -2.54 119.26 121.98 2q2a h ALA 121 Ca -0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2q2a h ALA 121 Cb 1.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2q2a h ALA 121 CO 0.33 0.31 -0.14 -0.07 0.00 0.00 0.00 179.25 179.68 2q2a h LEU 122 N 0.94 0.00 -0.38 0.00 3.38 -1.99 -1.94 115.31 115.32 2q2a h LEU 122 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2q2a h LEU 122 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2q2a h LEU 122 CO -0.12 0.14 0.00 0.47 0.09 0.00 0.00 178.44 179.02 2q2a n ASP 123 N -3.35 0.20 -0.44 -0.43 8.00 -0.96 -2.05 116.55 117.52 2q2a n ASP 123 Ca -0.00 0.57 0.10 0.00 0.71 0.00 0.00 54.79 56.18 2q2a n ASP 123 Cb 0.35 -0.61 0.41 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.75 1.33 -4.66 0.64 4.77 -0.73 -4.85 117.00 111.75 2q2a n LEU 124 Ca 0.01 -0.55 -0.46 0.00 -0.03 0.00 0.00 56.01 54.98 2q2a n LEU 124 Cb 0.08 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2q2a n LEU 124 CO 0.08 0.28 1.12 0.29 -1.33 0.00 0.00 177.39 177.82 2q2a n LYS 125 N 0.10 2.02 -0.80 3.23 5.02 -0.87 -1.53 118.16 125.33 2q2a n LYS 125 Ca 0.16 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 2q2a n LYS 125 Cb 0.28 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 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 2.99 0.15 3.97 0.72 0.00 -1.26 -4.99 105.19 106.76 2q2a n GLY 126 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.20 3.17 -0.12 1.61 -0.14 -0.59 -5.08 119.74 117.39 2q2a s LYS 127 Ca 0.00 -0.72 -0.16 0.00 -1.36 0.00 0.00 55.97 53.73 2q2a s LYS 127 Cb 0.00 -2.71 -0.05 0.00 -1.68 0.00 0.00 37.83 33.39 2q2a s LYS 127 CO 0.00 -0.02 0.39 0.95 -0.76 0.00 0.00 175.35 175.91 2q2a s THR 128 N -2.31 5.21 -0.08 2.17 -4.23 -1.26 -4.84 115.64 110.30 2q2a s THR 128 Ca 0.45 0.76 0.03 0.00 -1.18 0.00 0.00 61.69 61.74 2q2a s THR 128 Cb -0.10 -3.72 0.01 0.00 1.34 0.00 0.00 72.50 70.03 2q2a s THR 128 CO 0.34 0.40 -0.16 -0.63 -0.54 0.00 0.00 174.62 174.03 2q2a s ILE 129 N 0.26 1.45 -0.09 2.99 1.01 -0.06 -1.08 121.20 125.68 2q2a s ILE 129 Ca 0.22 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 2q2a s ILE 129 Cb -0.14 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 2q2a s ILE 129 CO 0.08 0.43 0.31 -0.83 0.00 0.00 0.00 174.94 174.93 2q2a s GLY 130 N 0.66 2.30 0.13 6.18 0.00 0.33 -0.48 107.32 116.45 2q2a s GLY 130 Ca -0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 44.72 44.18 2q2a s GLY 130 CO 0.04 0.17 0.05 -1.34 0.00 0.00 0.00 173.10 172.01 2q2a s VAL 131 N -0.41 0.17 0.08 1.40 -7.23 0.02 -2.44 120.40 111.98 2q2a s VAL 131 Ca 0.19 -1.91 -0.24 0.00 -1.81 0.00 0.00 61.98 58.20 2q2a s VAL 131 Cb -0.14 -2.03 -0.06 0.00 0.56 0.00 0.00 36.38 34.70 2q2a s VAL 131 CO 0.08 -0.49 0.74 -1.58 -0.31 0.00 0.00 175.10 173.54 2q2a s GLN 132 N -4.03 4.48 0.30 4.82 0.74 -1.26 -1.01 119.66 123.70 2q2a s GLN 132 Ca 0.23 1.04 -0.28 0.00 0.05 0.00 0.00 55.36 56.40 2q2a s GLN 132 Cb 0.07 -3.33 -0.14 0.00 1.10 0.00 0.00 33.01 30.72 2q2a s GLN 132 CO 0.02 0.39 1.08 -1.71 -0.55 0.00 0.00 175.29 174.52 2q2a n ASN 133 N 2.40 1.65 -3.62 6.67 2.85 0.42 -3.14 115.26 122.49 2q2a n ASN 133 Ca -0.04 1.18 -0.22 0.00 -0.11 0.00 0.00 54.58 55.39 2q2a n ASN 133 Cb 0.50 -1.33 0.06 0.00 1.24 0.00 0.00 39.78 40.25 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 0.30 -1.72 -2.49 5.20 0.00 -1.26 -4.93 120.51 115.61 2q2a n ALA 134 Ca 0.09 0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.36 2q2a n ALA 134 Cb 0.33 -3.41 -0.10 0.00 0.00 0.00 0.00 19.45 16.26 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 -3.42 1.97 0.51 0.00 -4.23 -1.19 -5.02 115.64 104.26 2q2a s THR 135 Ca 0.26 -2.17 0.16 0.00 -1.18 0.00 0.00 61.69 58.75 2q2a s THR 135 Cb -0.12 -2.56 0.27 0.00 1.34 0.00 0.00 72.50 71.44 2q2a s THR 135 CO 0.77 -0.25 2.14 0.71 -0.54 0.00 0.00 174.62 177.45 2q2a h THR 136 N 2.14 1.00 -0.18 3.99 1.35 -1.94 -1.21 112.91 118.06 2q2a h THR 136 Ca -0.41 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2q2a h THR 136 Cb 1.24 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 2q2a h THR 136 CO 0.69 0.01 0.12 1.23 -0.25 0.00 0.00 175.52 177.31 2q2a h GLY 137 N 0.04 0.26 0.87 5.82 0.00 -1.90 0.15 103.07 108.31 2q2a h GLY 137 Ca 0.02 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.28 2q2a h GLY 137 CO -0.00 0.10 0.35 -1.61 0.00 0.00 0.00 176.54 175.37 2q2a h GLN 138 N 0.24 0.67 -0.33 4.80 4.15 -1.59 -0.29 115.11 122.76 2q2a h GLN 138 Ca 0.07 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 2q2a h GLN 138 Cb -0.02 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 2q2a h GLN 138 CO -0.01 0.44 0.20 1.49 -1.93 0.00 0.00 178.83 179.02 2q2a h GLU 139 N 0.69 0.45 -0.39 1.69 4.81 -1.09 0.39 114.58 121.13 2q2a h GLU 139 Ca 0.23 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2q2a h GLU 139 Cb 0.02 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2q2a h GLU 139 CO -0.10 0.34 0.23 0.00 -0.73 0.00 0.00 179.01 178.75 2q2a h ALA 140 N 1.08 0.50 -0.59 2.92 0.00 -0.43 0.04 119.26 122.78 2q2a h ALA 140 Ca 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2q2a h ALA 140 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2q2a h ALA 140 CO -0.02 -0.11 0.38 0.00 0.00 0.00 0.00 179.25 179.50 2q2a h ALA 141 N 1.18 0.76 -0.27 0.00 0.00 -0.63 -2.43 119.26 117.87 2q2a h ALA 141 Ca 0.16 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2q2a h ALA 141 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2q2a h ALA 141 CO -0.08 0.15 -0.40 0.93 0.00 0.00 0.00 179.25 179.85 2q2a h GLU 142 N 0.77 0.64 -0.93 0.00 5.08 -0.55 -1.99 114.58 117.59 2q2a h GLU 142 Ca 0.23 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2q2a h GLU 142 Cb -0.05 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2q2a h GLU 142 CO -0.07 0.93 0.61 -0.22 -1.00 0.00 0.00 179.01 179.27 2q2a h LYS 143 N 0.53 1.17 0.16 2.33 3.64 -0.81 0.50 116.57 124.09 2q2a h LYS 143 Ca 0.04 -0.07 -0.32 0.00 -1.27 0.00 0.00 60.65 59.03 2q2a h LYS 143 Cb 0.92 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2q2a h LYS 143 CO 0.08 0.77 -1.58 -0.07 -2.27 0.00 0.00 179.45 176.39 2q2a h LEU 144 N 1.20 0.54 -0.93 5.20 3.38 -1.34 -3.39 115.31 119.97 2q2a h LEU 144 Ca 0.36 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2q2a h LEU 144 Cb -0.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2q2a h LEU 144 CO -0.10 1.60 0.00 0.49 0.09 0.00 0.00 178.44 180.52 2q2a n PHE 145 N -3.55 0.00 -0.51 1.13 3.72 -0.76 -5.09 117.46 112.41 2q2a n PHE 145 Ca -0.19 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.28 2q2a n PHE 145 Cb 1.06 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.57 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 0.07 -2.68 3.77 1.37 0.00 0.17 -4.88 105.19 103.01 2q2a n GLY 146 Ca 0.00 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.15 4.25 0.00 1.61 1.02 -1.26 -4.58 119.74 117.64 2q2a s LYS 147 Ca 0.00 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.66 2q2a s LYS 147 Cb 0.00 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 2q2a s LYS 147 CO 0.00 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2q2a n GLY 148 N 0.63 0.02 0.30 -3.33 0.00 -1.26 -4.99 105.19 96.55 2q2a n GLY 148 Ca 0.03 -1.03 0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 1.61 0.13 -2.01 -2.30 132.00 129.43 2q2a h PRO 149 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.02 0.00 1.12 -0.23 0.00 0.00 178.00 178.91 2q2a h HIS 150 N 0.00 0.00 -3.64 1.56 2.07 -1.94 -3.38 115.15 109.83 2q2a h HIS 150 Ca -0.00 0.00 -0.68 0.00 -2.85 0.00 0.00 60.37 56.84 2q2a h HIS 150 Cb 0.06 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 29.85 2q2a h HIS 150 CO 0.00 0.00 -0.36 0.42 -3.07 0.00 0.00 177.93 174.92 2q2a s ILE 151 N -3.67 5.21 -0.22 6.12 -1.09 -0.87 -0.88 121.20 125.79 2q2a s ILE 151 Ca -0.01 -0.20 -0.12 0.00 -2.23 0.00 0.00 60.65 58.09 2q2a s ILE 151 Cb 0.09 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 2q2a s ILE 151 CO 0.34 -0.15 0.20 -0.54 -1.23 0.00 0.00 174.94 173.57 2q2a s LYS 152 N 1.89 4.11 -0.23 2.79 -0.14 0.37 -4.90 119.74 123.63 2q2a s LYS 152 Ca 0.09 -0.16 -0.01 0.00 -1.36 0.00 0.00 55.97 54.53 2q2a s LYS 152 Cb -0.17 -3.52 0.03 0.00 -1.68 0.00 0.00 37.83 32.48 2q2a s LYS 152 CO 0.11 0.08 -0.09 0.15 -0.76 0.00 0.00 175.35 174.84 2q2a s LYS 153 N 0.98 2.85 0.14 1.68 1.02 -1.26 -0.80 119.74 124.36 2q2a s LYS 153 Ca 0.10 -0.96 0.07 0.00 0.02 0.00 0.00 55.97 55.20 2q2a s LYS 153 Cb -0.13 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 2q2a s LYS 153 CO 0.04 -0.36 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.01 2q2a s PHE 154 N 1.31 2.83 0.19 3.18 0.08 -0.18 -4.68 117.98 120.71 2q2a s PHE 154 Ca 0.01 -0.13 0.25 0.00 0.12 0.00 0.00 56.93 57.18 2q2a s PHE 154 Cb -0.16 -1.42 1.03 0.00 -0.57 0.00 0.00 43.02 41.91 2q2a s PHE 154 CO -0.06 0.48 1.88 1.49 -0.10 0.00 0.00 175.22 178.91 2q2a h GLU 155 N 3.11 0.00 -5.74 0.44 4.57 -1.95 0.12 114.58 115.14 2q2a h GLU 155 Ca -0.48 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.22 2q2a h GLU 155 Cb 1.19 0.00 -0.19 0.00 -0.16 0.00 0.00 28.75 29.58 2q2a h GLU 155 CO 0.56 0.20 -0.78 0.95 -1.18 0.00 0.00 179.01 178.76 2q2a s THR 156 N -3.75 1.53 0.39 0.32 -4.23 -1.26 -4.60 115.64 104.04 2q2a s THR 156 Ca -0.00 -1.68 0.08 0.00 -1.18 0.00 0.00 61.69 58.91 2q2a s THR 156 Cb 0.11 -1.56 0.20 0.00 1.34 0.00 0.00 72.50 72.58 2q2a s THR 156 CO 0.62 -0.27 1.96 0.74 -0.54 0.00 0.00 174.62 177.13 2q2a h THR 157 N 3.68 1.15 -0.49 3.99 2.02 -1.85 -2.72 112.91 118.69 2q2a h THR 157 Ca -0.42 -0.55 0.08 0.00 0.77 0.00 0.00 66.41 66.28 2q2a h THR 157 Cb 1.19 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 68.47 2q2a h THR 157 CO 0.47 0.19 0.13 0.58 0.37 0.00 0.00 175.52 177.26 2q2a h VAL 158 N 0.37 0.77 -0.29 3.16 2.07 -1.96 -1.21 116.25 119.15 2q2a h VAL 158 Ca 0.09 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 2q2a h VAL 158 Cb 0.21 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2q2a h VAL 158 CO 0.00 0.05 -0.34 0.58 0.02 0.00 0.00 177.57 177.88 2q2a h VAL 159 N 0.28 1.29 -0.29 2.57 2.07 -1.90 -2.02 116.25 118.25 2q2a h VAL 159 Ca 0.24 -1.49 0.04 0.00 0.82 0.00 0.00 66.70 66.32 2q2a h VAL 159 Cb 0.30 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2q2a h VAL 159 CO -0.29 0.48 0.06 0.00 0.02 0.00 0.00 177.57 177.84 2q2a h ALA 160 N 1.07 0.31 -0.85 1.67 0.00 -1.08 -1.27 119.26 119.11 2q2a h ALA 160 Ca 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2q2a h ALA 160 Cb 0.85 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2q2a h ALA 160 CO 0.07 -0.35 0.45 0.82 0.00 0.00 0.00 179.25 180.25 2q2a h ILE 161 N 0.17 1.25 -0.86 0.00 2.04 -1.08 -1.46 117.51 117.58 2q2a h ILE 161 Ca 0.13 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.40 2q2a h ILE 161 Cb 0.14 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.29 2q2a h ILE 161 CO -0.17 0.29 0.56 0.24 0.00 0.00 0.00 178.15 179.07 2q2a h MET 162 N 1.18 1.01 0.00 2.37 2.86 -0.79 -0.13 114.93 121.43 2q2a h MET 162 Ca 0.30 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.80 2q2a h MET 162 Cb 0.05 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 2q2a h MET 162 CO -0.05 0.67 -0.36 1.49 1.06 0.00 0.00 176.91 179.72 2q2a h GLU 163 N 1.04 0.00 0.28 1.72 4.57 -0.62 -1.96 114.58 119.62 2q2a h GLU 163 Ca 0.35 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.52 2q2a h GLU 163 Cb 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2q2a h GLU 163 CO -0.11 0.36 -0.14 1.25 -1.18 0.00 0.00 179.01 179.19 2q2a h LEU 164 N 0.00 -0.32 -1.38 1.64 5.85 -0.47 0.24 115.31 120.86 2q2a h LEU 164 Ca -0.00 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2q2a h LEU 164 Cb 1.10 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 2q2a h LEU 164 CO 0.05 -0.11 0.44 -0.07 -0.34 0.00 0.00 178.44 178.40 2q2a h LEU 165 N -0.52 0.70 -1.18 2.25 3.38 -0.67 -2.34 115.31 116.93 2q2a h LEU 165 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2q2a h LEU 165 Cb 0.39 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2q2a h LEU 165 CO 0.06 0.49 0.00 -0.46 0.09 0.00 0.00 178.44 178.62 2q2a n ASN 166 N -4.45 1.77 0.00 -0.43 0.23 -0.77 -4.93 115.26 106.68 2q2a n ASN 166 Ca 0.08 -1.72 0.00 0.00 -0.53 0.00 0.00 54.58 52.41 2q2a n ASN 166 Cb 0.11 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 1.15 0.80 0.21 4.83 0.00 -0.88 -4.94 105.19 106.36 2q2a n GLY 167 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 0.04 -3.35 -0.02 0.00 -0.80 -3.43 103.07 95.51 2q2a h GLY 168 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 47.33 46.94 2q2a h GLY 168 CO 0.00 0.03 -0.74 -1.34 0.00 0.00 0.00 176.54 174.49 2q2a s VAL 169 N -4.43 1.18 -0.22 4.60 -7.23 -0.60 -4.97 120.40 108.73 2q2a s VAL 169 Ca -0.04 -1.82 0.18 0.00 -1.81 0.00 0.00 61.98 58.49 2q2a s VAL 169 Cb 0.15 -1.59 0.09 0.00 0.56 0.00 0.00 36.38 35.59 2q2a s VAL 169 CO 0.72 -0.57 1.36 0.44 -0.31 0.00 0.00 175.10 176.74 2q2a h ASP 170 N 3.27 0.00 -5.00 4.85 3.32 -1.38 -3.41 116.42 118.07 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 -0.12 0.00 0.22 0.00 0.00 39.33 40.63 2q2a h ASP 170 CO 0.56 0.36 0.21 0.00 -1.72 0.00 0.00 179.24 178.64 2q2a s ALA 171 N -3.04 -1.56 -0.02 3.45 0.00 -1.14 -4.65 121.76 114.79 2q2a s ALA 171 Ca 0.03 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.48 2q2a s ALA 171 Cb 0.07 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 2q2a s ALA 171 CO 0.74 -0.79 -0.22 0.08 0.00 0.00 0.00 175.76 175.58 2q2a s VAL 172 N -3.76 1.74 -0.25 0.00 1.01 0.04 -0.51 120.40 118.67 2q2a s VAL 172 Ca 0.02 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 2q2a s VAL 172 Cb -0.01 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2q2a s VAL 172 CO -0.12 0.49 0.00 -0.63 0.00 0.00 0.00 175.10 174.85 2q2a s ILE 173 N -0.42 3.56 0.32 2.22 1.01 -1.02 -0.06 121.20 126.80 2q2a s ILE 173 Ca 0.06 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 2q2a s ILE 173 Cb -0.09 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.66 2q2a s ILE 173 CO -0.00 0.27 0.53 0.28 0.00 0.00 0.00 174.94 176.02 2q2a s THR 174 N 1.47 0.00 0.44 2.92 -1.32 -1.05 -4.64 115.64 113.46 2q2a s THR 174 Ca 0.04 -1.43 -0.24 0.00 -1.21 0.00 0.00 61.69 58.85 2q2a s THR 174 Cb -0.16 -2.54 -0.08 0.00 -1.51 0.00 0.00 72.50 68.21 2q2a s THR 174 CO -0.01 0.00 1.24 -1.81 -2.21 0.00 0.00 174.62 171.83 2q2a s ASP 175 N -3.14 6.16 0.20 8.08 1.11 -1.26 -1.10 116.67 126.71 2q2a s ASP 175 Ca 0.25 2.50 -0.11 0.00 0.18 0.00 0.00 52.55 55.37 2q2a s ASP 175 Cb -0.01 -2.62 0.15 0.00 1.07 0.00 0.00 42.92 41.51 2q2a s ASP 175 CO 0.15 -0.94 1.85 -0.55 1.18 0.00 0.00 175.17 176.86 2q2a h ASN 176 N 2.30 0.70 0.35 0.27 -1.07 -1.10 -0.81 115.58 116.22 2q2a h ASN 176 Ca -0.50 -0.01 -0.07 0.00 0.07 0.00 0.00 56.30 55.80 2q2a h ASN 176 Cb 1.25 -0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 37.33 2q2a h ASN 176 CO 0.61 0.49 -0.34 0.00 0.07 0.00 0.00 177.43 178.27 2q2a h ALA 177 N 1.27 1.43 -0.04 4.14 0.00 -1.92 0.77 119.26 124.91 2q2a h ALA 177 Ca 0.26 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2q2a h ALA 177 Cb -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2q2a h ALA 177 CO -0.09 0.42 -0.50 0.28 0.00 0.00 0.00 179.25 179.36 2q2a h VAL 178 N 0.00 1.42 -0.38 0.00 2.07 -1.56 -1.26 116.25 116.53 2q2a h VAL 178 Ca -0.00 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 2q2a h VAL 178 Cb 0.60 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 2q2a h VAL 178 CO 0.04 0.57 0.16 0.00 0.02 0.00 0.00 177.57 178.36 2q2a h ALA 179 N 0.37 0.50 -0.64 1.67 0.00 -1.00 -1.60 119.26 118.55 2q2a h ALA 179 Ca -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2q2a h ALA 179 Cb 1.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2q2a h ALA 179 CO 0.10 0.09 0.29 -0.91 0.00 0.00 0.00 179.25 178.82 2q2a h ASN 180 N 0.48 0.85 -0.79 0.00 2.35 -0.89 -1.81 115.58 115.76 2q2a h ASN 180 Ca 0.13 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 2q2a h ASN 180 Cb 0.17 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2q2a h ASN 180 CO -0.01 0.76 0.32 -0.08 -1.65 0.00 0.00 177.43 176.76 2q2a h GLU 181 N 0.88 1.18 -0.19 0.81 4.57 -1.13 -1.18 114.58 119.53 2q2a h GLU 181 Ca 0.22 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2q2a h GLU 181 Cb 0.15 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2q2a h GLU 181 CO -0.02 0.95 0.00 -0.92 -1.18 0.00 0.00 179.01 177.84 2q2a h TYR 182 N 1.15 0.35 -0.51 0.92 3.20 -0.96 -1.30 116.97 119.81 2q2a h TYR 182 Ca 0.26 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 2q2a h TYR 182 Cb 0.21 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 2q2a h TYR 182 CO 0.02 0.52 0.32 0.28 -1.64 0.00 0.00 178.16 177.66 2q2a h VAL 183 N 0.09 1.15 -0.80 1.81 2.07 -1.27 -1.29 116.25 118.00 2q2a h VAL 183 Ca 0.05 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2q2a h VAL 183 Cb 0.38 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2q2a h VAL 183 CO 0.01 0.15 0.36 0.50 0.02 0.00 0.00 177.57 178.61 2q2a h LYS 184 N 0.69 1.17 0.00 1.57 3.64 -1.10 -2.79 116.57 119.75 2q2a h LYS 184 Ca 0.19 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2q2a h LYS 184 Cb -0.03 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 2q2a h LYS 184 CO -0.04 0.92 -0.14 0.09 -2.27 0.00 0.00 179.45 178.01 2q2a n ASN 185 N -4.30 0.60 -3.14 4.20 4.13 -0.50 -4.48 115.26 111.77 2q2a n ASN 185 Ca 0.08 0.43 -0.19 0.00 1.68 0.00 0.00 54.58 56.58 2q2a n ASN 185 Cb 0.16 -0.51 -0.03 0.00 -1.54 0.00 0.00 39.78 37.86 2q2a n ASN 185 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2q2a n ASN 186 N -2.02 1.41 0.05 6.41 3.02 -0.51 -4.93 115.26 118.69 2q2a n ASN 186 Ca 0.05 -3.11 0.10 0.00 -0.03 0.00 0.00 54.58 51.59 2q2a n ASN 186 Cb 0.41 -0.61 0.54 0.00 -0.61 0.00 0.00 39.78 39.51 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 3.00 0.27 0.00 3.52 0.13 -1.78 -2.29 132.00 134.85 2q2a h PRO 187 Ca 0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2q2a h PRO 187 Cb 0.90 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2q2a h PRO 187 CO 0.55 0.18 0.00 -0.91 -0.23 0.00 0.00 178.00 177.59 2q2a h ASN 188 N 0.28 0.00 0.87 1.44 2.35 -1.91 -1.32 115.58 117.28 2q2a h ASN 188 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2q2a h ASN 188 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2q2a h ASN 188 CO -0.03 0.00 -0.29 0.29 -1.65 0.00 0.00 177.43 175.75 2q2a n LYS 189 N -2.32 0.09 -3.61 0.81 4.76 -0.86 -4.96 118.16 112.06 2q2a n LYS 189 Ca 0.01 0.04 -0.24 0.00 -2.87 0.00 0.00 58.31 55.25 2q2a n LYS 189 Cb 0.18 -1.57 0.04 0.00 -1.84 0.00 0.00 35.03 31.84 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 -1.71 -2.84 -3.87 1.97 4.76 -0.50 -4.87 118.16 111.10 2q2a n LYS 190 Ca 0.06 0.59 -0.22 0.00 -2.87 0.00 0.00 58.31 55.87 2q2a n LYS 190 Cb 0.37 -4.86 -0.04 0.00 -1.84 0.00 0.00 35.03 28.66 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 -6.35 3.51 0.01 -0.35 1.43 -1.26 -1.21 118.68 114.45 2q2a s LEU 191 Ca 0.28 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 2q2a s LEU 191 Cb -0.08 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.05 2q2a s LEU 191 CO 0.82 -0.36 0.16 0.00 0.23 0.00 0.00 176.35 177.20 2q2a s GLN 192 N -3.96 0.54 -0.20 1.70 -2.07 0.23 -4.65 119.66 111.25 2q2a s GLN 192 Ca 0.40 -0.45 -0.13 0.00 -1.82 0.00 0.00 55.36 53.36 2q2a s GLN 192 Cb -0.05 0.22 -0.05 0.00 -1.09 0.00 0.00 33.01 32.05 2q2a s GLN 192 CO 0.26 -0.14 0.27 0.08 -1.32 0.00 0.00 175.29 174.44 2q2a s VAL 193 N -1.67 5.30 -0.27 3.63 1.01 -1.26 -1.68 120.40 125.45 2q2a s VAL 193 Ca -0.12 0.45 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 2q2a s VAL 193 Cb -0.06 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2q2a s VAL 193 CO 0.00 0.35 0.07 -0.63 0.00 0.00 0.00 175.10 174.89 2q2a s ILE 194 N 0.83 4.08 -0.00 2.22 -1.09 0.84 -4.99 121.20 123.09 2q2a s ILE 194 Ca 0.14 -0.46 -0.10 0.00 -2.23 0.00 0.00 60.65 58.00 2q2a s ILE 194 Cb -0.13 -3.01 -0.05 0.00 -1.58 0.00 0.00 42.46 37.69 2q2a s ILE 194 CO 0.04 0.21 0.32 -1.61 -1.23 0.00 0.00 174.94 172.67 2q2a s GLU 195 N 1.55 3.71 -0.41 2.79 2.02 -1.26 -1.11 118.70 125.98 2q2a s GLU 195 Ca 0.05 0.13 0.05 0.00 0.02 0.00 0.00 54.97 55.22 2q2a s GLU 195 Cb -0.16 -3.13 0.20 0.00 0.10 0.00 0.00 34.13 31.14 2q2a s GLU 195 CO 0.03 0.67 0.40 -3.47 0.02 0.00 0.00 175.26 172.91 2q2a n ASP 196 N 1.47 -0.16 0.31 -0.19 -0.08 -1.26 -4.94 116.55 111.70 2q2a n ASP 196 Ca -0.13 -2.50 0.19 0.00 -1.51 0.00 0.00 54.79 50.84 2q2a n ASP 196 Cb 0.53 -0.58 1.01 0.00 2.34 0.00 0.00 41.12 44.41 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 5.10 0.00 -0.21 -0.67 0.13 -1.93 -0.90 132.00 133.52 2q2a h PRO 197 Ca 0.20 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.21 2q2a h PRO 197 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 2q2a h PRO 197 CO 0.41 0.02 -0.40 0.87 -0.23 0.00 0.00 178.00 178.67 2q2a h LYS 198 N 0.00 0.48 0.08 0.86 1.79 -2.02 -3.35 116.57 114.41 2q2a h LYS 198 Ca -0.00 -0.24 -0.37 0.00 -2.18 0.00 0.00 60.65 57.87 2q2a h LYS 198 Cb 0.12 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 2q2a h LYS 198 CO 0.00 0.80 -2.11 -1.71 -1.08 0.00 0.00 179.45 175.35 2q2a n ASN 199 N -4.03 1.96 -4.78 0.86 2.85 -0.54 -4.94 115.26 106.65 2q2a n ASN 199 Ca -0.02 0.13 -0.36 0.00 -0.11 0.00 0.00 54.58 54.22 2q2a n ASN 199 Cb 0.50 -0.66 -0.08 0.00 1.24 0.00 0.00 39.78 40.79 2q2a n ASN 199 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2q2a s PHE 200 N -2.55 3.41 0.53 1.20 0.08 -0.45 -5.10 117.98 115.10 2q2a s PHE 200 Ca -0.24 0.35 -0.06 0.00 0.12 0.00 0.00 56.93 57.10 2q2a s PHE 200 Cb 0.07 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 2q2a s PHE 200 CO 0.73 0.55 0.86 0.00 -0.10 0.00 0.00 175.22 177.26 2q2a s ALA 201 N -0.72 3.32 0.34 5.36 0.00 -1.26 -4.68 121.76 124.12 2q2a s ALA 201 Ca 0.12 -0.48 -0.28 0.00 0.00 0.00 0.00 51.96 51.32 2q2a s ALA 201 Cb -0.12 -2.68 -0.10 0.00 0.00 0.00 0.00 23.12 20.22 2q2a s ALA 201 CO 0.03 -0.52 1.30 -1.12 0.00 0.00 0.00 175.76 175.44 2q2a s SER 202 N -4.17 6.76 0.03 0.00 0.01 -1.26 -4.41 113.70 110.66 2q2a s SER 202 Ca 0.50 2.66 0.05 0.00 1.31 0.00 0.00 55.95 60.48 2q2a s SER 202 Cb -0.10 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 2q2a s SER 202 CO 0.47 -0.54 -0.16 -1.61 0.41 0.00 0.00 173.24 171.80 2q2a s GLU 203 N -1.82 1.14 -0.07 12.44 2.02 -0.19 -5.01 118.70 127.20 2q2a s GLU 203 Ca 0.49 -0.75 0.04 0.00 0.02 0.00 0.00 54.97 54.77 2q2a s GLU 203 Cb -0.39 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 32.68 2q2a s GLU 203 CO 0.52 0.30 -0.19 0.71 0.02 0.00 0.00 175.26 176.62 2q2a s TYR 204 N -0.71 1.99 0.19 1.61 2.02 -1.26 -0.55 117.35 120.65 2q2a s TYR 204 Ca 0.04 -0.72 -0.22 0.00 -0.37 0.00 0.00 57.07 55.80 2q2a s TYR 204 Cb -0.08 -1.36 -0.08 0.00 -0.40 0.00 0.00 41.96 40.04 2q2a s TYR 204 CO 0.01 -0.30 0.74 0.71 -1.57 0.00 0.00 175.55 175.15 2q2a s TYR 205 N 0.33 3.77 0.12 2.71 2.02 -0.17 -0.71 117.35 125.41 2q2a s TYR 205 Ca -0.13 1.50 0.03 0.00 -0.37 0.00 0.00 57.07 58.10 2q2a s TYR 205 Cb -0.15 -2.68 -0.04 0.00 -0.40 0.00 0.00 41.96 38.68 2q2a s TYR 205 CO 0.05 0.43 -0.08 0.20 -1.57 0.00 0.00 175.55 174.57 2q2a s GLY 206 N -1.40 0.89 0.49 0.71 0.00 -0.43 -0.80 107.32 106.78 2q2a s GLY 206 Ca 0.39 -1.37 -0.20 0.00 0.00 0.00 0.00 44.72 43.55 2q2a s GLY 206 CO 0.23 -1.46 1.03 1.06 0.00 0.00 0.00 173.10 173.95 2q2a s MET 207 N -3.59 3.82 0.13 2.90 -1.94 -1.26 -4.34 119.30 115.00 2q2a s MET 207 Ca 0.12 1.31 0.10 0.00 -1.71 0.00 0.00 55.69 55.51 2q2a s MET 207 Cb 0.03 -2.10 -0.04 0.00 2.01 0.00 0.00 34.83 34.73 2q2a s MET 207 CO -0.02 -0.41 -0.24 -1.50 -0.01 0.00 0.00 175.02 172.84 2q2a s ILE 208 N -2.07 2.04 0.03 2.53 2.07 -0.27 -0.48 121.20 125.05 2q2a s ILE 208 Ca 0.66 -1.71 -0.03 0.00 -1.41 0.00 0.00 60.65 58.16 2q2a s ILE 208 Cb -0.15 -1.83 -0.02 0.00 0.13 0.00 0.00 42.46 40.59 2q2a s ILE 208 CO 0.21 -0.00 0.04 -0.36 -1.91 0.00 0.00 174.94 172.91 2q2a s PHE 209 N -1.20 0.27 0.60 3.50 0.08 -0.12 -0.70 117.98 120.41 2q2a s PHE 209 Ca 0.12 -0.60 -0.19 0.00 0.12 0.00 0.00 56.93 56.38 2q2a s PHE 209 Cb -0.10 -0.20 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 2q2a s PHE 209 CO 0.06 -0.32 1.11 -2.30 -0.10 0.00 0.00 175.22 173.67 2q2a n PRO 210 N 0.90 1.09 -1.65 0.24 -0.02 -1.26 -1.46 135.00 132.84 2q2a n PRO 210 Ca -0.20 0.42 -0.47 0.00 -2.02 0.00 0.00 63.50 61.24 2q2a n PRO 210 Cb 0.58 -2.32 -0.04 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 -1.21 1.89 -1.21 -0.52 3.00 -1.25 -1.87 118.16 117.00 2q2a n LYS 211 Ca 0.14 0.68 -0.07 0.00 -0.00 0.00 0.00 58.31 59.05 2q2a n LYS 211 Cb 0.47 -2.38 -0.03 0.00 0.00 0.00 0.00 35.03 33.08 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 2.85 -4.11 -4.74 3.14 3.02 -1.26 -4.95 115.26 109.20 2q2a n ASN 212 Ca 0.16 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 2q2a n ASN 212 Cb 0.28 -2.25 -0.01 0.00 -0.61 0.00 0.00 39.78 37.19 2q2a n ASN 212 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2q2a n SER 213 N 0.38 3.72 0.02 6.41 2.88 -0.78 -4.89 113.62 121.37 2q2a n SER 213 Ca -0.07 1.16 0.10 0.00 -1.33 0.00 0.00 58.87 58.73 2q2a n SER 213 Cb 0.28 -1.58 0.41 0.00 -0.75 0.00 0.00 64.21 62.57 2q2a n SER 213 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2q2a n GLU 214 N 1.76 0.03 0.18 -1.46 -0.58 -1.26 -3.32 120.64 115.99 2q2a n GLU 214 Ca 0.07 0.20 0.05 0.00 -0.42 0.00 0.00 57.16 57.07 2q2a n GLU 214 Cb 0.37 -1.55 0.26 0.00 -0.57 0.00 0.00 31.44 29.94 2q2a n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2q2a h LEU 215 N 0.00 0.00 -0.26 -4.62 3.38 -1.94 -3.35 115.31 108.52 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 0.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2q2a h LEU 215 CO 0.00 0.40 0.04 0.50 0.09 0.00 0.00 178.44 179.47 2q2a h LYS 216 N 0.00 0.13 -0.54 1.13 3.64 -1.96 -0.74 116.57 118.23 2q2a h LYS 216 Ca -0.00 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2q2a h LYS 216 Cb 1.03 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 2q2a h LYS 216 CO 0.05 0.09 0.33 0.00 -2.27 0.00 0.00 179.45 177.64 2q2a h ALA 217 N 1.20 0.69 -0.58 5.00 0.00 -1.83 0.66 119.26 124.39 2q2a h ALA 217 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2q2a h ALA 217 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2q2a h ALA 217 CO -0.17 0.04 0.18 0.87 0.00 0.00 0.00 179.25 180.17 2q2a h LYS 218 N 0.65 0.91 -0.43 0.00 1.57 -1.60 -1.95 116.57 115.72 2q2a h LYS 218 Ca 0.22 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2q2a h LYS 218 Cb 0.01 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2q2a h LYS 218 CO -0.09 0.82 0.02 0.28 -0.57 0.00 0.00 179.45 179.90 2q2a h VAL 219 N 0.83 1.26 -0.41 0.50 2.07 -0.88 -1.37 116.25 118.24 2q2a h VAL 219 Ca 0.19 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.75 2q2a h VAL 219 Cb 0.29 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2q2a h VAL 219 CO -0.00 0.34 0.17 0.44 0.02 0.00 0.00 177.57 178.54 2q2a h ASP 220 N 0.58 0.21 -0.33 0.57 3.32 -0.69 0.32 116.42 120.41 2q2a h ASP 220 Ca 0.12 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2q2a h ASP 220 Cb 0.46 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2q2a h ASP 220 CO 0.02 0.16 0.13 -0.08 -1.72 0.00 0.00 179.24 177.74 2q2a h GLU 221 N 0.35 0.49 -0.61 3.56 4.57 -1.31 -1.75 114.58 119.88 2q2a h GLU 221 Ca 0.19 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.31 2q2a h GLU 221 Cb 0.14 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 2q2a h GLU 221 CO -0.17 0.49 0.37 0.00 -1.18 0.00 0.00 179.01 178.52 2q2a h ALA 222 N 0.97 0.79 -0.56 2.92 0.00 -0.89 -0.87 119.26 121.62 2q2a h ALA 222 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2q2a h ALA 222 Cb 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2q2a h ALA 222 CO -0.01 0.10 0.36 1.25 0.00 0.00 0.00 179.25 180.95 2q2a h LEU 223 N 0.72 0.62 -0.69 0.00 5.85 -0.19 -0.90 115.31 120.72 2q2a h LEU 223 Ca 0.25 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2q2a h LEU 223 Cb 0.04 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 2q2a h LEU 223 CO -0.11 0.45 0.43 0.11 -0.34 0.00 0.00 178.44 178.97 2q2a h LYS 224 N 0.74 0.80 -0.50 1.25 1.57 -1.03 -0.99 116.57 118.42 2q2a h LYS 224 Ca 0.21 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 2q2a h LYS 224 Cb -0.07 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.01 2q2a h LYS 224 CO -0.05 0.53 0.18 -0.97 -0.57 0.00 0.00 179.45 178.56 2q2a h ASN 225 N 0.82 0.19 0.23 0.86 -0.73 -0.43 0.59 115.58 117.11 2q2a h ASN 225 Ca 0.28 0.06 -0.16 0.00 1.87 0.00 0.00 56.30 58.36 2q2a h ASN 225 Cb 0.05 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 2q2a h ASN 225 CO -0.12 0.13 -0.60 0.58 -0.37 0.00 0.00 177.43 177.05 2q2a h VAL 226 N 0.36 1.36 -0.11 2.57 2.07 -0.85 -1.80 116.25 119.86 2q2a h VAL 226 Ca 0.24 -1.93 -0.05 0.00 0.82 0.00 0.00 66.70 65.77 2q2a h VAL 226 Cb 0.25 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2q2a h VAL 226 CO -0.24 0.58 -0.13 0.40 0.02 0.00 0.00 177.57 178.20 2q2a h ILE 227 N 0.27 1.37 -0.53 4.57 2.04 -1.00 -0.53 117.51 123.71 2q2a h ILE 227 Ca -0.01 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 2q2a h ILE 227 Cb 1.13 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 39.18 2q2a h ILE 227 CO 0.10 0.38 0.12 0.78 0.00 0.00 0.00 178.15 179.53 2q2a h ASN 228 N -0.14 0.76 0.78 1.72 2.35 -0.78 -2.74 115.58 117.54 2q2a h ASN 228 Ca 0.01 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2q2a h ASN 228 Cb 0.67 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2q2a h ASN 228 CO 0.03 0.76 0.00 -1.54 -1.65 0.00 0.00 177.43 175.03 2q2a n SER 229 N -4.27 0.00 0.00 5.81 3.41 -0.69 -4.89 113.62 112.99 2q2a n SER 229 Ca 0.04 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 2q2a n SER 229 Cb 0.23 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2q2a n SER 229 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q2a n GLY 230 N 0.97 1.05 0.19 5.00 0.00 -1.03 -4.97 105.19 106.40 2q2a n GLY 230 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 3.58 0.60 -0.52 1.61 1.63 -1.61 -1.73 116.57 120.13 2q2a h LYS 231 Ca 0.00 -0.12 0.10 0.00 -0.85 0.00 0.00 60.65 59.78 2q2a h LYS 231 Cb 0.00 -0.09 -0.09 0.00 -0.60 0.00 0.00 32.23 31.45 2q2a h LYS 231 CO 0.00 0.59 -0.03 -0.92 -3.45 0.00 0.00 179.45 175.64 2q2a h TYR 232 N 0.50 -0.09 -0.80 1.91 3.20 -1.39 -1.05 116.97 119.25 2q2a h TYR 232 Ca 0.13 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2q2a h TYR 232 Cb 0.22 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 2q2a h TYR 232 CO 0.00 -0.15 0.44 1.15 -1.64 0.00 0.00 178.16 177.97 2q2a h THR 233 N 0.09 1.23 -0.10 1.81 2.02 -1.73 0.35 112.91 116.58 2q2a h THR 233 Ca 0.26 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 2q2a h THR 233 Cb 0.41 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2q2a h THR 233 CO -0.46 0.26 0.05 -0.08 0.37 0.00 0.00 175.52 175.65 2q2a h GLU 234 N 1.12 0.15 -0.33 6.66 4.81 -0.51 -0.39 114.58 126.09 2q2a h GLU 234 Ca 0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2q2a h GLU 234 Cb 0.02 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2q2a h GLU 234 CO -0.05 0.23 0.22 0.82 -0.73 0.00 0.00 179.01 179.51 2q2a h ILE 235 N 0.03 1.09 -0.41 2.32 2.04 -0.85 -1.97 117.51 119.75 2q2a h ILE 235 Ca 0.03 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.78 2q2a h ILE 235 Cb 0.14 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 2q2a h ILE 235 CO -0.00 0.08 0.19 0.22 0.00 0.00 0.00 178.15 178.64 2q2a h TYR 236 N 0.45 0.34 -0.93 1.37 3.20 -0.79 -2.45 116.97 118.16 2q2a h TYR 236 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2q2a h TYR 236 Cb -0.05 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 2q2a h TYR 236 CO -0.05 0.17 0.59 0.87 -1.64 0.00 0.00 178.16 178.10 2q2a h LYS 237 N 0.38 1.25 -0.48 1.82 1.57 -0.91 0.11 116.57 120.30 2q2a h LYS 237 Ca 0.18 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2q2a h LYS 237 Cb 0.11 -0.27 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 2q2a h LYS 237 CO -0.14 0.85 0.14 -0.22 -0.57 0.00 0.00 179.45 179.50 2q2a h LYS 238 N 1.28 0.28 0.00 3.15 3.64 -0.90 0.49 116.57 124.51 2q2a h LYS 238 Ca 0.34 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.55 2q2a h LYS 238 Cb -0.11 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 2q2a h LYS 238 CO -0.07 0.19 -1.45 0.91 -2.27 0.00 0.00 179.45 176.76 2q2a n TRP 239 N -5.05 0.88 0.00 1.91 7.02 -1.03 -4.51 117.44 116.66 2q2a n TRP 239 Ca 0.05 0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.81 2q2a n TRP 239 Cb 0.21 -1.04 0.00 0.00 -2.42 0.00 0.00 31.31 28.07 2q2a n TRP 239 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2q2a n PHE 240 N -2.82 0.00 -1.70 -5.99 3.72 0.35 -5.04 117.46 105.98 2q2a n PHE 240 Ca -0.09 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.15 2q2a n PHE 240 Cb 0.81 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.30 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 1.31 0.98 3.38 1.37 0.00 0.16 -4.98 105.19 107.42 2q2a n GLY 241 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.74 1.18 0.35 1.61 -2.85 -1.26 -5.05 119.74 109.97 2q2a s LYS 242 Ca 0.00 -0.90 -0.28 0.00 -1.00 0.00 0.00 55.97 53.79 2q2a s LYS 242 Cb 0.00 0.45 -0.10 0.00 -2.06 0.00 0.00 37.83 36.13 2q2a s LYS 242 CO 0.00 -0.46 1.27 -1.21 0.10 0.00 0.00 175.35 175.04 2q2a s GLU 243 N -3.87 4.29 0.76 1.78 0.41 -1.26 -4.26 118.70 116.55 2q2a s GLU 243 Ca 0.09 2.12 -0.11 0.00 -0.41 0.00 0.00 54.97 56.66 2q2a s GLU 243 Cb 0.01 -2.99 0.05 0.00 -1.78 0.00 0.00 34.13 29.42 2q2a s GLU 243 CO -0.06 -0.20 1.08 -1.25 -0.49 0.00 0.00 175.26 174.34 2q2a s PRO 244 N -1.88 2.40 -0.65 0.39 0.04 -1.26 -5.01 135.00 129.03 2q2a s PRO 244 Ca 0.51 1.04 -0.09 0.00 0.04 0.00 0.00 61.00 62.50 2q2a s PRO 244 Cb -0.38 -1.92 0.17 0.00 0.04 0.00 0.00 34.50 32.41 2q2a s PRO 244 CO 0.49 -1.51 0.52 0.15 0.04 0.00 0.00 177.00 176.70 2q2a s LYS 245 N -4.97 2.89 0.63 4.56 1.02 -1.26 -4.96 119.74 117.65 2q2a s LYS 245 Ca 0.60 -2.28 0.40 0.00 0.02 0.00 0.00 55.97 54.72 2q2a s LYS 245 Cb -0.16 -4.03 2.10 0.00 -0.52 0.00 0.00 37.83 35.22 2q2a s LYS 245 CO 0.56 -1.22 2.26 -0.07 -0.92 0.00 0.00 175.35 175.96 2q2a h LEU 246 N 7.71 0.00 -2.18 3.17 3.38 -2.03 -1.75 115.31 123.62 2q2a h LEU 246 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2q2a h LEU 246 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2q2a h LEU 246 CO 0.78 0.01 0.00 -2.24 0.09 0.00 0.00 178.44 177.07 2q2a h ASP 247 N 0.00 0.00 0.59 -0.43 3.04 -1.99 -1.21 116.42 116.42 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 0.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.43 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 -0.02 4.15 3.08 -1.75 -2.81 114.38 117.03 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 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2q2a h ARG 248 CO 0.00 0.00 -0.06 1.28 -1.07 0.00 0.00 179.97 180.12 2q2a n LEU 249 N -2.58 1.87 -0.17 3.04 4.77 -0.45 -4.02 117.00 119.45 2q2a n LEU 249 Ca 0.00 -0.62 0.09 0.00 -0.03 0.00 0.00 56.01 55.46 2q2a n LEU 249 Cb 0.20 -0.02 0.15 0.00 -2.33 0.00 0.00 43.42 41.42 2q2a n LEU 249 CO 0.20 0.32 0.55 0.29 -1.33 0.00 0.00 177.39 177.41 2q2a n LYS 250 N 0.37 1.37 0.00 3.23 4.76 -1.06 -4.69 118.16 122.13 2q2a n LYS 250 Ca 0.16 -2.69 0.16 0.00 -2.87 0.00 0.00 58.31 53.07 2q2a n LYS 250 Cb 0.43 -1.53 0.92 0.00 -1.84 0.00 0.00 35.03 33.01 2q2a n LYS 250 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07