#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3s s ALA 2 N 0.00 2.69 0.11 7.33 0.00 -1.26 -5.09 121.76 125.55 2q3s s ALA 2 Ca 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 51.96 50.00 2q3s s ALA 2 Cb 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 2q3s s ALA 2 CO 0.00 -1.30 0.18 -1.54 0.00 0.00 0.00 175.76 173.10 2q3s s SER 3 N 1.14 0.16 -1.22 0.00 1.04 -1.26 -5.03 113.70 108.53 2q3s s SER 3 Ca -0.05 -0.84 -0.15 0.00 0.48 0.00 0.00 55.95 55.39 2q3s s SER 3 Cb -0.20 0.35 0.13 0.00 0.10 0.00 0.00 66.02 66.40 2q3s s SER 3 CO -0.04 -0.77 1.52 -0.36 0.98 0.00 0.00 173.24 174.57 2q3s s PHE 4 N -3.93 3.24 -0.90 5.02 0.40 -1.26 -4.68 117.98 115.86 2q3s s PHE 4 Ca 0.12 -1.92 0.13 0.00 -0.60 0.00 0.00 56.93 54.65 2q3s s PHE 4 Cb 0.05 -4.47 0.38 0.00 0.51 0.00 0.00 43.02 39.50 2q3s s PHE 4 CO -0.06 -1.54 1.32 -0.40 0.70 0.00 0.00 175.22 175.24 2q3s n ASP 5 N 6.63 3.23 -2.47 1.36 3.85 -1.21 -4.21 116.55 123.73 2q3s n ASP 5 Ca 0.40 -2.17 -0.04 0.00 -0.71 0.00 0.00 54.79 52.27 2q3s n ASP 5 Cb 0.44 -0.31 0.03 0.00 -1.35 0.00 0.00 41.12 39.93 2q3s n ASP 5 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2q3s n GLY 6 N 0.48 -1.86 3.65 6.12 0.00 -0.56 -4.82 105.19 108.19 2q3s n GLY 6 Ca 0.15 -1.56 -0.47 0.00 0.00 0.00 0.00 46.02 44.14 2q3s n GLY 6 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q3s n PRO 7 N -1.70 1.87 -3.42 1.61 -0.04 -1.26 -4.61 135.00 127.43 2q3s n PRO 7 Ca 0.02 0.67 -0.36 0.00 -0.04 0.00 0.00 63.50 63.79 2q3s n PRO 7 Cb 0.08 -2.35 -0.06 0.00 -0.04 0.00 0.00 33.50 31.13 2q3s n PRO 7 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2q3s s LYS 8 N 0.23 3.94 0.07 0.54 2.20 -1.26 -3.91 119.74 121.54 2q3s s LYS 8 Ca 0.75 0.43 0.09 0.00 -0.36 0.00 0.00 55.97 56.88 2q3s s LYS 8 Cb -0.72 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 2q3s s LYS 8 CO 0.45 0.55 -0.23 -0.06 -0.36 0.00 0.00 175.35 175.69 2q3s s PHE 9 N -1.35 2.41 0.47 4.03 0.08 -0.82 -4.98 117.98 117.81 2q3s s PHE 9 Ca 0.34 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 57.11 2q3s s PHE 9 Cb -0.15 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 40.92 2q3s s PHE 9 CO 0.18 0.23 0.40 0.21 -0.10 0.00 0.00 175.22 176.14 2q3s s LYS 10 N -1.55 2.39 0.22 0.44 2.20 -1.26 0.27 119.74 122.44 2q3s s LYS 10 Ca 0.14 -1.75 0.17 0.00 -0.36 0.00 0.00 55.97 54.17 2q3s s LYS 10 Cb -0.10 -2.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.98 2q3s s LYS 10 CO 0.05 -0.39 1.23 1.15 -0.36 0.00 0.00 175.35 177.03 2q3s h THR 12 N 0.90 0.60 -0.28 3.43 2.02 -1.93 -3.48 112.91 114.17 2q3s h THR 12 Ca -0.39 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 64.86 2q3s h THR 12 Cb 1.28 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 2q3s h THR 12 CO 0.57 0.34 0.00 -0.90 0.37 0.00 0.00 175.52 175.90 2q3s n ASP 13 N -3.06 3.51 0.00 4.18 5.75 -1.26 -4.95 116.55 120.72 2q3s n ASP 13 Ca -0.02 -2.67 0.00 0.00 -0.01 0.00 0.00 54.79 52.10 2q3s n ASP 13 Cb 0.73 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 2q3s n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2q3s n GLY 14 N -0.19 2.33 3.90 6.12 0.00 -1.26 -5.02 105.19 111.07 2q3s n GLY 14 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2q3s n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q3s s SER 15 N -3.56 4.76 0.17 1.61 1.04 -1.26 -5.03 113.70 111.43 2q3s s SER 15 Ca 0.00 0.82 0.07 0.00 0.48 0.00 0.00 55.95 57.32 2q3s s SER 15 Cb 0.00 -1.41 -0.04 0.00 0.10 0.00 0.00 66.02 64.67 2q3s s SER 15 CO 0.00 -1.73 -0.15 -0.31 0.98 0.00 0.00 173.24 172.03 2q3s s TYR 16 N -3.48 1.63 -0.34 5.02 1.51 -1.26 -4.44 117.35 115.99 2q3s s TYR 16 Ca 0.61 -0.56 -0.01 0.00 -1.01 0.00 0.00 57.07 56.09 2q3s s TYR 16 Cb -0.11 -0.79 0.07 0.00 -0.11 0.00 0.00 41.96 41.02 2q3s s TYR 16 CO 0.49 0.29 0.07 0.08 -1.11 0.00 0.00 175.55 175.36 2q3s s VAL 17 N -2.65 2.97 0.18 0.71 1.01 0.14 -4.75 120.40 118.01 2q3s s VAL 17 Ca 0.18 -1.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.14 2q3s s VAL 17 Cb -0.02 -2.87 -0.08 0.00 0.00 0.00 0.00 36.38 33.41 2q3s s VAL 17 CO 0.05 -0.34 1.25 -1.10 0.00 0.00 0.00 175.10 174.96 2q3s s GLN 18 N 1.17 4.44 0.26 2.72 1.11 0.20 -1.95 119.66 127.61 2q3s s GLN 18 Ca 0.01 1.94 0.04 0.00 0.01 0.00 0.00 55.36 57.36 2q3s s GLN 18 Cb -0.21 -3.23 -0.06 0.00 -1.01 0.00 0.00 33.01 28.51 2q3s s GLN 18 CO -0.03 -0.18 0.01 0.95 0.01 0.00 0.00 175.29 176.05 2q3s s THR 19 N 0.16 1.13 -0.02 -0.19 -4.23 -1.25 -1.96 115.64 109.28 2q3s s THR 19 Ca 0.55 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 58.98 2q3s s THR 19 Cb -0.34 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2q3s s THR 19 CO 0.36 -0.22 0.11 -0.75 -0.54 0.00 0.00 174.62 173.59 2q3s s LYS 20 N -3.86 0.30 -0.01 3.99 2.47 0.17 -1.50 119.74 121.30 2q3s s LYS 20 Ca 0.31 -0.15 0.02 0.00 -1.56 0.00 0.00 55.97 54.59 2q3s s LYS 20 Cb 0.06 0.13 -0.00 0.00 -1.46 0.00 0.00 37.83 36.56 2q3s s LYS 20 CO 0.11 -0.06 -0.06 0.99 0.16 0.00 0.00 175.35 176.49 2q3s s THR 21 N -0.70 0.49 -0.02 3.43 2.01 -1.26 -1.75 115.64 117.84 2q3s s THR 21 Ca -0.08 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 2q3s s THR 21 Cb -0.05 -0.43 0.02 0.00 0.01 0.00 0.00 72.50 72.04 2q3s s THR 21 CO 0.01 0.15 0.05 -0.63 -0.69 0.00 0.00 174.62 173.51 2q3s s ILE 22 N 0.02 -0.02 -0.21 1.82 1.01 -0.36 -4.97 121.20 118.49 2q3s s ILE 22 Ca 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.55 2q3s s ILE 22 Cb -0.04 -0.10 -0.03 0.00 0.01 0.00 0.00 42.46 42.30 2q3s s ILE 22 CO -0.00 0.03 0.53 -1.81 0.00 0.00 0.00 174.94 173.69 2q3s s ASP 23 N 0.47 6.55 -0.52 3.58 1.01 -1.26 -2.13 116.67 124.37 2q3s s ASP 23 Ca -0.04 0.66 -0.23 0.00 0.71 0.00 0.00 52.55 53.66 2q3s s ASP 23 Cb -0.05 -2.30 0.04 0.00 1.01 0.00 0.00 42.92 41.62 2q3s s ASP 23 CO -0.02 -0.21 0.85 -0.69 0.21 0.00 0.00 175.17 175.32 2q3s s VAL 24 N 1.77 4.53 0.57 -1.27 1.01 0.99 -4.94 120.40 123.06 2q3s s VAL 24 Ca 0.24 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 2q3s s VAL 24 Cb -0.15 -4.45 0.12 0.00 0.00 0.00 0.00 36.38 31.90 2q3s s VAL 24 CO 0.09 -0.97 0.78 0.61 0.00 0.00 0.00 175.10 175.62 2q3s n GLY 25 N 5.10 -0.13 0.37 4.51 0.00 -1.26 -4.08 105.19 109.71 2q3s n GLY 25 Ca 0.00 -1.89 0.18 0.00 0.00 0.00 0.00 46.02 44.32 2q3s n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2q3s h SER 26 N -0.72 0.62 0.00 1.61 4.64 -1.97 -3.13 113.55 114.59 2q3s h SER 26 Ca -0.26 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2q3s h SER 26 Cb 0.83 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2q3s h SER 26 CO 0.23 0.16 -0.02 -1.54 -0.87 0.00 0.00 176.83 174.79 2q3s n SER 27 N -4.73 2.19 -4.73 4.97 3.41 -1.26 -4.49 113.62 108.98 2q3s n SER 27 Ca 0.25 -2.88 -0.42 0.00 -0.26 0.00 0.00 58.87 55.56 2q3s n SER 27 Cb 0.73 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 2q3s n SER 27 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2q3s s THR 28 N -2.48 2.61 -0.26 6.66 2.01 -1.18 -4.97 115.64 118.01 2q3s s THR 28 Ca 0.26 0.46 -0.23 0.00 0.31 0.00 0.00 61.69 62.49 2q3s s THR 28 Cb 0.23 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 2q3s s THR 28 CO 0.02 0.05 0.76 -0.62 -0.69 0.00 0.00 174.62 174.14 2q3s s ASP 29 N 0.91 6.71 0.00 3.53 3.68 -1.26 -4.79 116.67 125.45 2q3s s ASP 29 Ca 0.67 0.83 0.19 0.00 2.13 0.00 0.00 52.55 56.37 2q3s s ASP 29 Cb -0.43 -2.40 -0.01 0.00 -1.45 0.00 0.00 42.92 38.63 2q3s s ASP 29 CO 0.35 -0.50 0.96 2.30 0.13 0.00 0.00 175.17 178.41 2q3s n ILE 30 N 5.32 0.00 0.21 4.11 -5.35 -1.26 -4.40 119.36 117.98 2q3s n ILE 30 Ca 0.03 -0.30 0.14 0.00 -0.27 0.00 0.00 62.75 62.35 2q3s n ILE 30 Cb 0.48 1.22 0.73 0.00 -1.74 0.00 0.00 39.64 40.33 2q3s n ILE 30 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2q3s h SER 31 N 2.07 0.00 0.54 7.28 0.87 -1.93 -2.15 113.55 120.22 2q3s h SER 31 Ca 0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2q3s h SER 31 Cb 0.64 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2q3s h SER 31 CO 0.00 0.00 -0.37 -0.65 -0.53 0.00 0.00 176.83 175.28 2q3s h PRO 32 N 0.00 0.00 0.00 2.24 0.11 -2.01 -3.20 132.00 129.14 2q3s h PRO 32 Ca 0.00 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.75 2q3s h PRO 32 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.05 2q3s h PRO 32 CO 0.00 0.37 -2.29 0.66 -0.21 0.00 0.00 178.00 176.53 2q3s n TYR 33 N -3.84 0.19 0.15 0.65 4.01 -0.83 -3.75 117.16 113.75 2q3s n TYR 33 Ca -0.01 0.06 0.06 0.00 -0.16 0.00 0.00 57.90 57.85 2q3s n TYR 33 Cb 0.44 -1.03 0.53 0.00 -0.31 0.00 0.00 39.34 38.97 2q3s n TYR 33 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2q3s h LEU 34 N 0.00 0.19 0.00 7.72 3.38 -1.61 0.69 115.31 125.68 2q3s h LEU 34 Ca -0.51 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2q3s h LEU 34 Cb 2.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.85 2q3s h LEU 34 CO 0.02 0.16 -0.50 0.28 0.09 0.00 0.00 178.44 178.49 2q3s h SER 35 N 0.22 0.00 1.11 -0.43 0.02 -1.72 -2.42 113.55 110.34 2q3s h SER 35 Ca 0.06 -0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 60.80 2q3s h SER 35 Cb 0.03 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2q3s h SER 35 CO -0.01 0.01 -0.91 -0.07 -1.14 0.00 0.00 176.83 174.72 2q3s h LEU 36 N 0.00 0.00 -0.46 5.07 3.38 -1.38 -0.92 115.31 121.00 2q3s h LEU 36 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2q3s h LEU 36 Cb 0.95 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2q3s h LEU 36 CO 0.00 0.80 0.03 0.40 0.09 0.00 0.00 178.44 179.76 2q3s h ILE 37 N 0.00 1.26 -0.21 1.22 1.08 -0.85 -2.29 117.51 117.72 2q3s h ILE 37 Ca -0.04 -0.99 -0.13 0.00 -0.39 0.00 0.00 64.86 63.31 2q3s h ILE 37 Cb 1.64 1.00 -0.00 0.00 -3.07 0.00 0.00 36.82 36.40 2q3s h ILE 37 CO 0.10 0.34 -0.36 -0.09 -0.69 0.00 0.00 178.15 177.45 2q3s h ARG 38 N 0.64 0.61 -0.33 2.37 2.43 -1.39 -2.12 114.38 116.58 2q3s h ARG 38 Ca 0.13 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 2q3s h ARG 38 Cb 0.45 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2q3s h ARG 38 CO 0.02 0.99 0.18 1.49 -1.51 0.00 0.00 179.97 181.14 2q3s h GLU 39 N 0.29 0.46 -0.78 0.20 4.81 -1.19 0.33 114.58 118.71 2q3s h GLU 39 Ca 0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2q3s h GLU 39 Cb 0.95 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 2q3s h GLU 39 CO 0.08 0.39 0.47 0.22 -0.73 0.00 0.00 179.01 179.43 2q3s h ASP 40 N 0.42 0.94 -0.17 1.04 -0.00 -1.44 2.48 116.42 119.69 2q3s h ASP 40 Ca 0.12 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.03 57.06 2q3s h ASP 40 Cb 0.06 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 39.14 2q3s h ASP 40 CO -0.02 0.73 0.03 -1.28 -0.00 0.00 0.00 179.24 178.70 2q3s h SER 41 N 1.07 0.27 -0.22 2.28 0.87 -1.10 -1.82 113.55 114.89 2q3s h SER 41 Ca 0.28 -0.26 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 2q3s h SER 41 Cb -0.03 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2q3s h SER 41 CO -0.05 0.46 -0.17 0.40 -0.53 0.00 0.00 176.83 176.94 2q3s h ILE 42 N 0.07 1.32 -0.64 2.23 2.04 0.09 0.33 117.51 122.94 2q3s h ILE 42 Ca 0.05 -1.30 0.07 0.00 1.00 0.00 0.00 64.86 64.68 2q3s h ILE 42 Cb 0.31 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 2q3s h ILE 42 CO 0.00 0.40 0.42 -0.07 0.00 0.00 0.00 178.15 178.91 2q3s h LEU 43 N 0.20 0.53 -0.87 1.44 3.38 0.43 -3.41 115.31 117.01 2q3s h LEU 43 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2q3s h LEU 43 Cb 0.70 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2q3s h LEU 43 CO 0.04 0.34 -0.03 -0.46 0.09 0.00 0.00 178.44 178.42 2q3s n ASN 44 N -4.48 -0.11 -0.98 -0.43 6.94 -0.74 -4.95 115.26 110.52 2q3s n ASN 44 Ca 0.10 -0.25 0.08 0.00 -0.02 0.00 0.00 54.58 54.48 2q3s n ASN 44 Cb 0.27 0.03 0.26 0.00 -2.36 0.00 0.00 39.78 37.98 2q3s n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2q3s n GLY 45 N 0.00 3.61 2.40 4.83 0.00 0.11 -4.94 105.19 111.20 2q3s n GLY 45 Ca -0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 2q3s n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2q3s n ASN 46 N -0.10 -4.67 -2.88 1.61 5.03 -1.03 -3.23 115.26 109.98 2q3s n ASN 46 Ca 0.20 0.34 -0.20 0.00 0.87 0.00 0.00 54.58 55.79 2q3s n ASN 46 Cb 0.83 -3.38 0.05 0.00 -1.02 0.00 0.00 39.78 36.26 2q3s n ASN 46 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2q3s n ARG 47 N -2.60 -5.48 -4.70 3.52 1.74 -0.62 -4.93 116.66 103.60 2q3s n ARG 47 Ca -0.14 0.76 -0.28 0.00 -0.77 0.00 0.00 57.85 57.42 2q3s n ARG 47 Cb 0.45 -5.41 -0.17 0.00 -1.02 0.00 0.00 32.46 26.32 2q3s n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2q3s s ALA 48 N -3.18 1.63 -0.38 7.54 0.00 -1.20 -0.01 121.76 126.16 2q3s s ALA 48 Ca 0.38 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 2q3s s ALA 48 Cb -0.17 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.27 2q3s s ALA 48 CO 0.47 0.09 0.22 0.08 0.00 0.00 0.00 175.76 176.61 2q3s s VAL 49 N 0.69 4.56 0.27 0.00 1.01 -0.09 -4.78 120.40 122.06 2q3s s VAL 49 Ca -0.13 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 2q3s s VAL 49 Cb -0.16 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 2q3s s VAL 49 CO 0.03 -0.27 0.96 -0.63 0.00 0.00 0.00 175.10 175.19 2q3s s ILE 50 N 1.54 4.04 0.27 2.22 1.09 0.16 -3.09 121.20 127.43 2q3s s ILE 50 Ca 0.02 1.94 -0.12 0.00 -1.10 0.00 0.00 60.65 61.39 2q3s s ILE 50 Cb -0.20 -4.19 -0.00 0.00 -1.06 0.00 0.00 42.46 37.02 2q3s s ILE 50 CO 0.06 0.37 0.49 0.72 -0.10 0.00 0.00 174.94 176.49 2q3s s PHE 51 N -1.31 0.44 0.03 3.97 -0.12 -1.17 0.14 117.98 119.96 2q3s s PHE 51 Ca 0.44 -0.81 -0.24 0.00 -0.05 0.00 0.00 56.93 56.28 2q3s s PHE 51 Cb -0.24 0.18 0.06 0.00 -0.63 0.00 0.00 43.02 42.39 2q3s s PHE 51 CO 0.30 -1.04 0.56 0.34 -0.05 0.00 0.00 175.22 175.33 2q3s s ASP 52 N -3.05 -0.49 0.08 1.98 3.68 -0.75 -4.13 116.67 113.98 2q3s s ASP 52 Ca 0.23 0.28 0.04 0.00 2.13 0.00 0.00 52.55 55.22 2q3s s ASP 52 Cb -0.01 0.51 -0.03 0.00 -1.45 0.00 0.00 42.92 41.94 2q3s s ASP 52 CO 0.11 -0.71 -0.10 0.68 0.13 0.00 0.00 175.17 175.27 2q3s s VAL 53 N -2.26 0.88 -0.01 1.11 -7.23 -1.26 -0.46 120.40 111.16 2q3s s VAL 53 Ca -0.06 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 2q3s s VAL 53 Cb -0.01 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.76 2q3s s VAL 53 CO -0.00 -0.48 -0.03 -0.31 -0.31 0.00 0.00 175.10 173.97 2q3s s TYR 54 N -2.08 0.36 0.09 2.82 1.51 -1.01 -5.00 117.35 114.04 2q3s s TYR 54 Ca 0.01 -0.06 0.05 0.00 -1.01 0.00 0.00 57.07 56.06 2q3s s TYR 54 Cb -0.05 -0.28 -0.04 0.00 -0.11 0.00 0.00 41.96 41.48 2q3s s TYR 54 CO 0.00 -0.04 0.01 -1.58 -1.11 0.00 0.00 175.55 172.83 2q3s s TRP 55 N 0.18 3.01 -0.48 2.71 0.52 -1.26 -2.58 118.94 121.03 2q3s s TRP 55 Ca -0.02 -0.02 -0.17 0.00 0.02 0.00 0.00 56.10 55.92 2q3s s TRP 55 Cb -0.05 -1.54 0.06 0.00 -1.15 0.00 0.00 33.47 30.80 2q3s s TRP 55 CO -0.00 0.49 0.48 0.34 0.02 0.00 0.00 176.95 178.27 2q3s s ASP 56 N -2.33 6.18 0.02 2.95 3.68 -0.80 -4.78 116.67 121.59 2q3s s ASP 56 Ca 0.26 -1.14 -0.30 0.00 2.13 0.00 0.00 52.55 53.50 2q3s s ASP 56 Cb -0.12 -2.23 -0.05 0.00 -1.45 0.00 0.00 42.92 39.07 2q3s s ASP 56 CO 0.19 -0.73 1.28 -0.69 0.13 0.00 0.00 175.17 175.34 2q3s s VAL 57 N 2.04 3.90 -0.10 1.11 1.01 -1.26 -2.87 120.40 124.24 2q3s s VAL 57 Ca 0.09 1.32 0.02 0.00 0.00 0.00 0.00 61.98 63.40 2q3s s VAL 57 Cb -0.22 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.33 2q3s s VAL 57 CO 0.09 0.05 -0.15 -0.83 0.00 0.00 0.00 175.10 174.26 2q3s s GLY 58 N 1.40 0.98 -0.88 4.51 0.00 -1.26 -4.99 107.32 107.08 2q3s s GLY 58 Ca 0.60 -0.65 -0.25 0.00 0.00 0.00 0.00 44.72 44.42 2q3s s GLY 58 CO 0.27 0.19 1.68 -1.36 0.00 0.00 0.00 173.10 173.87 2q3s s PHE 59 N 0.89 2.10 0.00 1.90 2.99 -1.26 -4.55 117.98 120.05 2q3s s PHE 59 Ca -0.09 0.05 0.00 0.00 0.00 0.00 0.00 56.93 56.89 2q3s s PHE 59 Cb -0.15 -4.35 0.00 0.00 0.00 0.00 0.00 43.02 38.51 2q3s s PHE 59 CO 0.00 -1.93 0.00 0.25 -0.00 0.00 0.00 175.22 173.54 2q3s n THR 66 N 7.25 0.00 0.30 0.64 -2.24 -1.26 -5.18 114.28 113.79 2q3s n THR 66 Ca 0.30 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.12 2q3s n THR 66 Cb 0.49 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.89 2q3s n THR 66 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2q3s n LYS 67 N 0.00 0.06 0.00 -0.78 4.01 -1.26 -1.58 118.16 118.61 2q3s n LYS 67 Ca 0.00 0.29 0.04 0.00 -0.51 0.00 0.00 58.31 58.12 2q3s n LYS 67 Cb 0.00 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.00 2q3s n LYS 67 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2q3s n THR 68 N -1.38 0.00 1.00 -0.18 -2.24 -1.26 -4.40 114.28 105.81 2q3s n THR 68 Ca 0.03 -0.37 0.09 0.00 -2.27 0.00 0.00 64.05 61.52 2q3s n THR 68 Cb 0.07 1.04 0.49 0.00 -2.10 0.00 0.00 70.33 69.83 2q3s n THR 68 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2q3s n SER 69 N -0.76 0.00 0.09 3.42 3.41 -0.61 -0.38 113.62 118.78 2q3s n SER 69 Ca 0.02 -0.36 0.12 0.00 -0.26 0.00 0.00 58.87 58.39 2q3s n SER 69 Cb 0.14 -0.09 0.26 0.00 -0.26 0.00 0.00 64.21 64.26 2q3s n SER 69 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2q3s h GLY 70 N 2.73 0.00 -4.44 5.00 0.00 -1.77 -3.47 103.07 101.12 2q3s h GLY 70 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2q3s h GLY 70 CO 0.00 0.00 0.78 -0.98 0.00 0.00 0.00 176.54 176.34 2q3s s TRP 71 N -3.15 3.12 -0.02 5.60 0.52 0.49 -4.44 118.94 121.07 2q3s s TRP 71 Ca 0.08 0.89 0.04 0.00 0.02 0.00 0.00 56.10 57.13 2q3s s TRP 71 Cb 0.13 -3.80 -0.01 0.00 -1.15 0.00 0.00 33.47 28.64 2q3s s TRP 71 CO 0.67 -2.77 -0.15 0.45 0.02 0.00 0.00 176.95 175.17 2q3s s SER 72 N 0.81 1.75 0.01 2.95 0.15 -1.14 -4.89 113.70 113.34 2q3s s SER 72 Ca 0.64 -0.27 -0.30 0.00 0.70 0.00 0.00 55.95 56.72 2q3s s SER 72 Cb -0.41 -0.26 -0.08 0.00 -1.71 0.00 0.00 66.02 63.57 2q3s s SER 72 CO 0.35 0.17 1.84 -0.22 1.20 0.00 0.00 173.24 176.58 2q3s s LEU 73 N -0.25 4.39 -0.18 3.45 2.96 -1.26 -1.90 118.68 125.89 2q3s s LEU 73 Ca 0.04 2.51 -0.09 0.00 -0.22 0.00 0.00 54.13 56.36 2q3s s LEU 73 Cb -0.07 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.88 2q3s s LEU 73 CO -0.00 -1.00 0.14 -1.54 -1.32 0.00 0.00 176.35 172.63 2q3s n SER 74 N 7.29 2.02 -3.68 3.68 3.41 -1.12 -4.79 113.62 120.44 2q3s n SER 74 Ca 0.19 0.20 -0.15 0.00 -0.26 0.00 0.00 58.87 58.85 2q3s n SER 74 Cb 0.42 -0.80 -0.08 0.00 -0.26 0.00 0.00 64.21 63.49 2q3s n SER 74 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2q3s s SER 75 N -6.95 -0.34 0.01 4.04 0.01 -1.07 0.36 113.70 109.76 2q3s s SER 75 Ca -0.28 0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.33 2q3s s SER 75 Cb 0.08 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 2q3s s SER 75 CO 0.67 -0.51 -0.21 -0.69 0.41 0.00 0.00 173.24 172.91 2q3s s VAL 76 N -1.35 1.65 -0.02 3.43 1.01 0.20 -2.41 120.40 122.91 2q3s s VAL 76 Ca -0.12 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 60.91 2q3s s VAL 76 Cb -0.03 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2q3s s VAL 76 CO 0.06 0.36 -0.23 -0.75 0.00 0.00 0.00 175.10 174.53 2q3s s LYS 77 N -0.77 1.98 -0.01 2.72 2.36 0.39 -0.10 119.74 126.30 2q3s s LYS 77 Ca 0.08 -0.83 0.05 0.00 -2.55 0.00 0.00 55.97 52.72 2q3s s LYS 77 Cb -0.08 -1.86 -0.01 0.00 -1.05 0.00 0.00 37.83 34.82 2q3s s LYS 77 CO 0.00 0.47 -0.17 -0.51 1.55 0.00 0.00 175.35 176.69 2q3s s LEU 78 N -0.46 2.04 -0.00 5.43 1.43 0.12 -1.82 118.68 125.42 2q3s s LEU 78 Ca 0.07 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2q3s s LEU 78 Cb -0.10 -0.88 -0.00 0.00 0.03 0.00 0.00 46.19 45.24 2q3s s LEU 78 CO -0.00 0.20 0.03 -0.44 0.23 0.00 0.00 176.35 176.37 2q3s s SER 79 N -0.45 0.06 0.32 2.29 0.01 0.37 0.41 113.70 116.72 2q3s s SER 79 Ca 0.06 -0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.23 2q3s s SER 79 Cb -0.07 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.25 2q3s s SER 79 CO -0.01 -0.16 0.18 0.35 0.41 0.00 0.00 173.24 174.02 2q3s n THR 80 N 2.36 0.00 -0.01 1.44 -2.24 -1.21 0.37 114.28 114.99 2q3s n THR 80 Ca -0.17 -2.08 -0.00 0.00 -2.27 0.00 0.00 64.05 59.52 2q3s n THR 80 Cb 0.58 0.89 -0.00 0.00 -2.10 0.00 0.00 70.33 69.69 2q3s n THR 80 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2q3s h ARG 81 N 0.00 -0.00 0.00 -0.78 9.65 -1.90 -3.07 114.38 118.29 2q3s h ARG 81 Ca -0.24 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.62 2q3s h ARG 81 Cb 1.04 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.62 2q3s h ARG 81 CO 0.37 -0.00 -0.07 -0.91 2.80 0.00 0.00 179.97 182.16 2q3s h ASN 82 N -0.00 0.00 -3.24 -3.80 2.35 -1.93 -3.45 115.58 105.51 2q3s h ASN 82 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2q3s h ASN 82 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2q3s h ASN 82 CO -0.02 0.07 -0.07 0.18 -1.65 0.00 0.00 177.43 175.94 2q3s n LEU 83 N -3.13 0.00 -3.20 1.61 4.77 -1.16 0.63 117.00 116.51 2q3s n LEU 83 Ca 0.02 -0.46 0.04 0.00 -0.03 0.00 0.00 56.01 55.59 2q3s n LEU 83 Cb 0.48 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2q3s n LEU 83 CO 0.33 -0.07 0.62 0.00 -1.33 0.00 0.00 177.39 176.94 2q3s s LEU 85 N 2.75 2.98 -0.21 0.00 2.96 0.17 0.41 118.68 127.75 2q3s s LEU 85 Ca -0.01 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2q3s s LEU 85 Cb -0.08 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 2q3s s LEU 85 CO -0.13 0.02 -0.02 0.12 -1.32 0.00 0.00 176.35 175.01 2q3s s PHE 86 N 1.25 2.98 -0.32 5.38 2.19 -0.72 0.14 117.98 128.88 2q3s s PHE 86 Ca 0.03 -0.73 -0.02 0.00 0.33 0.00 0.00 56.93 56.54 2q3s s PHE 86 Cb -0.14 -2.10 0.06 0.00 -1.31 0.00 0.00 43.02 39.53 2q3s s PHE 86 CO -0.01 -0.42 0.05 -0.51 1.83 0.00 0.00 175.22 176.16 2q3s s LEU 87 N 1.28 4.21 -0.27 6.12 1.43 0.86 -1.22 118.68 131.09 2q3s s LEU 87 Ca 0.04 -1.40 -0.19 0.00 -1.03 0.00 0.00 54.13 51.55 2q3s s LEU 87 Cb -0.14 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2q3s s LEU 87 CO -0.01 -0.32 0.55 -0.13 0.23 0.00 0.00 176.35 176.67 2q3s s ARG 88 N 1.25 4.04 0.31 1.70 0.52 -0.91 0.60 118.95 126.46 2q3s s ARG 88 Ca -0.02 0.34 0.07 0.00 -0.52 0.00 0.00 55.73 55.60 2q3s s ARG 88 Cb -0.20 -3.67 -0.02 0.00 0.52 0.00 0.00 34.95 31.58 2q3s s ARG 88 CO -0.01 -0.40 0.35 -0.51 0.02 0.00 0.00 175.30 174.75 2q3s s LEU 89 N 2.39 3.85 0.26 2.53 1.43 0.16 -0.01 118.68 129.29 2q3s s LEU 89 Ca 0.22 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2q3s s LEU 89 Cb -0.15 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 2q3s s LEU 89 CO 0.09 -0.30 0.44 -2.16 0.23 0.00 0.00 176.35 174.66 2q3s s PRO 90 N -4.04 3.51 -0.24 1.29 0.04 -1.26 -4.77 135.00 129.53 2q3s s PRO 90 Ca 0.40 -0.38 0.01 0.00 0.04 0.00 0.00 61.00 61.08 2q3s s PRO 90 Cb -0.08 -2.78 0.06 0.00 0.04 0.00 0.00 34.50 31.74 2q3s s PRO 90 CO 0.28 0.32 -0.07 0.21 0.04 0.00 0.00 177.00 177.78 2q3s s LYS 91 N -3.73 1.81 0.65 4.56 2.20 -1.26 -3.13 119.74 120.85 2q3s s LYS 91 Ca 0.39 -1.06 -0.07 0.00 -0.36 0.00 0.00 55.97 54.87 2q3s s LYS 91 Cb -0.10 -2.64 0.03 0.00 -1.51 0.00 0.00 37.83 33.61 2q3s s LYS 91 CO 0.31 -0.57 0.97 -1.25 -0.36 0.00 0.00 175.35 174.45 2q3s s PRO 92 N 1.33 2.60 0.55 4.03 0.04 -1.26 -5.14 135.00 137.15 2q3s s PRO 92 Ca -0.06 -0.06 -0.19 0.00 0.04 0.00 0.00 61.00 60.72 2q3s s PRO 92 Cb -0.19 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 2q3s s PRO 92 CO -0.06 -0.97 1.16 -0.06 0.04 0.00 0.00 177.00 177.11 2q3s s PHE 93 N -3.14 2.59 0.47 0.56 2.99 -1.18 -5.07 117.98 115.19 2q3s s PHE 93 Ca 0.57 1.53 0.07 0.00 0.00 0.00 0.00 56.93 59.10 2q3s s PHE 93 Cb -0.11 -3.36 0.01 0.00 0.00 0.00 0.00 43.02 39.56 2q3s s PHE 93 CO 0.46 -1.78 0.44 -1.01 -0.00 0.00 0.00 175.22 173.32 2q3s s HIS 94 N -1.70 2.27 -0.14 0.36 3.76 -1.26 -5.02 115.29 113.57 2q3s s HIS 94 Ca 0.74 -0.61 0.25 0.00 -0.15 0.00 0.00 55.06 55.29 2q3s s HIS 94 Cb -0.26 -2.11 1.30 0.00 1.11 0.00 0.00 32.58 32.62 2q3s s HIS 94 CO 0.29 -0.34 1.77 -0.44 -0.85 0.00 0.00 174.74 175.18 2q3s h ASP 95 N 0.85 0.00 1.15 1.40 3.45 -1.98 -2.44 116.42 118.85 2q3s h ASP 95 Ca -0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.07 2q3s h ASP 95 Cb 1.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 2q3s h ASP 95 CO 0.55 0.00 0.00 -0.55 -1.57 0.00 0.00 179.24 177.67 2q3s h ASN 96 N 0.00 0.00 0.75 6.45 -0.00 -1.87 -1.20 115.58 119.72 2q3s h ASN 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2q3s h ASN 96 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 2q3s h ASN 96 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.43 177.36 2q3s h LEU 97 N 0.00 0.00 -2.05 6.14 3.38 -1.76 -2.02 115.31 119.00 2q3s h LEU 97 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2q3s h LEU 97 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2q3s h LEU 97 CO 0.00 0.00 0.37 0.11 0.09 0.00 0.00 178.44 179.01 2q3s h LYS 98 N 0.00 0.00 -0.15 1.13 1.57 -1.43 0.57 116.57 118.26 2q3s h LYS 98 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2q3s h LYS 98 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2q3s h LYS 98 CO 0.00 0.00 -0.17 -0.44 -0.57 0.00 0.00 179.45 178.27 2q3s h ASP 99 N 0.00 0.23 0.37 0.86 3.32 -1.57 -1.52 116.42 118.12 2q3s h ASP 99 Ca 0.19 -0.05 -0.32 0.00 0.02 0.00 0.00 57.03 56.86 2q3s h ASP 99 Cb 0.92 -0.06 0.03 0.00 0.22 0.00 0.00 39.33 40.43 2q3s h ASP 99 CO -0.00 0.42 -1.43 0.25 -1.72 0.00 0.00 179.24 176.77 2q3s h LEU 100 N 0.23 0.72 -1.46 1.55 5.85 -0.06 -2.39 115.31 119.74 2q3s h LEU 100 Ca 0.04 -0.78 0.05 0.00 0.84 0.00 0.00 57.88 58.03 2q3s h LEU 100 Cb 0.44 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2q3s h LEU 100 CO 0.03 1.61 0.41 1.88 -0.34 0.00 0.00 178.44 182.03 2q3s h TYR 101 N 0.12 0.67 -0.23 1.25 -1.99 -1.13 -1.52 116.97 114.15 2q3s h TYR 101 Ca -0.23 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.43 2q3s h TYR 101 Cb 2.11 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 40.62 2q3s h TYR 101 CO 0.11 0.38 -0.22 0.00 -0.00 0.00 0.00 178.16 178.43 2q3s h ARG 102 N 0.68 0.55 -0.02 4.88 3.08 -1.24 -3.01 114.38 119.31 2q3s h ARG 102 Ca 0.26 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 60.05 2q3s h ARG 102 Cb 0.16 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 2q3s h ARG 102 CO -0.07 0.87 -0.29 0.35 -1.07 0.00 0.00 179.97 179.76 2q3s h PHE 103 N 0.25 -0.79 0.00 3.04 3.57 -0.79 -2.35 116.94 119.88 2q3s h PHE 103 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2q3s h PHE 103 Cb 0.77 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2q3s h PHE 103 CO 0.08 -0.38 0.00 1.19 -2.23 0.00 0.00 178.31 176.96 2q3s n PHE 104 N -5.40 0.62 1.76 0.41 3.01 -0.66 -2.33 117.46 114.88 2q3s n PHE 104 Ca -0.05 0.27 0.11 0.00 1.01 0.00 0.00 57.45 58.79 2q3s n PHE 104 Cb 0.31 -0.93 0.58 0.00 -0.01 0.00 0.00 39.48 39.43 2q3s n PHE 104 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2q3s n ALA 105 N -1.72 2.60 -1.77 4.37 0.00 -0.88 -4.09 120.51 119.02 2q3s n ALA 105 Ca 0.01 -0.26 -0.38 0.00 0.00 0.00 0.00 53.44 52.81 2q3s n ALA 105 Cb 0.16 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 2q3s n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2q3s s SER 106 N -1.70 6.76 0.00 0.00 0.15 -0.98 -4.60 113.70 113.33 2q3s s SER 106 Ca 0.34 2.28 0.12 0.00 0.70 0.00 0.00 55.95 59.39 2q3s s SER 106 Cb 0.16 -2.61 0.27 0.00 -1.71 0.00 0.00 66.02 62.13 2q3s s SER 106 CO 0.27 -0.50 1.17 0.29 1.20 0.00 0.00 173.24 175.66 2q3s n LYS 107 N 0.35 2.23 0.10 5.44 5.02 -1.26 -4.36 118.16 125.68 2q3s n LYS 107 Ca 0.03 -1.85 -0.05 0.00 -2.02 0.00 0.00 58.31 54.42 2q3s n LYS 107 Cb 0.46 -1.28 0.06 0.00 -0.02 0.00 0.00 35.03 34.26 2q3s n LYS 107 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2q3s h PHE 108 N 2.29 0.13 -3.39 2.13 -1.00 -1.95 -3.46 116.94 111.68 2q3s h PHE 108 Ca 0.00 -0.06 -0.39 0.00 2.81 0.00 0.00 57.97 60.32 2q3s h PHE 108 Cb 0.68 -0.02 -0.14 0.00 3.61 0.00 0.00 35.95 40.09 2q3s h PHE 108 CO 0.18 0.81 -0.62 0.14 -1.61 0.00 0.00 178.31 177.21 2q3s s VAL 109 N -3.36 0.85 -0.16 -0.55 -7.23 -1.26 -4.85 120.40 103.85 2q3s s VAL 109 Ca -0.02 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.10 2q3s s VAL 109 Cb 0.11 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 2q3s s VAL 109 CO 0.80 -0.07 -0.00 -0.89 -0.31 0.00 0.00 175.10 174.62 2q3s s THR 110 N -3.54 4.20 -0.35 5.32 2.01 0.98 -4.89 115.64 119.38 2q3s s THR 110 Ca 0.35 -0.25 -0.17 0.00 0.31 0.00 0.00 61.69 61.94 2q3s s THR 110 Cb 0.08 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 2q3s s THR 110 CO 0.13 0.50 0.43 -0.36 -0.69 0.00 0.00 174.62 174.63 2q3s s PHE 111 N 0.22 3.19 -0.75 4.92 0.08 -1.02 -0.91 117.98 123.71 2q3s s PHE 111 Ca -0.00 0.04 -0.04 0.00 0.12 0.00 0.00 56.93 57.04 2q3s s PHE 111 Cb -0.13 -2.80 0.19 0.00 -0.57 0.00 0.00 43.02 39.71 2q3s s PHE 111 CO 0.02 -0.50 0.61 0.08 -0.10 0.00 0.00 175.22 175.33 2q3s s VAL 112 N 2.19 4.25 0.19 -0.44 1.01 -1.18 -1.60 120.40 124.82 2q3s s VAL 112 Ca 0.15 -3.16 -0.06 0.00 0.00 0.00 0.00 61.98 58.91 2q3s s VAL 112 Cb -0.16 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 2q3s s VAL 112 CO 0.12 -0.97 0.44 -0.83 0.00 0.00 0.00 175.10 173.87 2q3s s GLY 113 N 0.68 2.18 -0.04 4.51 0.00 -1.24 -3.06 107.32 110.35 2q3s s GLY 113 Ca 0.20 -0.50 -0.17 0.00 0.00 0.00 0.00 44.72 44.25 2q3s s GLY 113 CO -0.07 -0.40 0.47 0.14 0.00 0.00 0.00 173.10 173.24 2q3s s VAL 114 N -1.76 5.05 -0.93 1.40 1.01 -1.26 -4.04 120.40 119.86 2q3s s VAL 114 Ca 0.43 0.96 -0.27 0.00 0.00 0.00 0.00 61.98 63.11 2q3s s VAL 114 Cb -0.12 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.50 2q3s s VAL 114 CO 0.25 0.46 0.50 0.00 0.00 0.00 0.00 175.10 176.31 2q3s n GLN 115 N 2.66 -0.41 -0.81 2.72 1.13 -1.26 -4.85 117.38 116.55 2q3s n GLN 115 Ca -0.10 -0.09 0.02 0.00 -1.94 0.00 0.00 57.00 54.89 2q3s n GLN 115 Cb 0.52 -1.65 0.31 0.00 0.11 0.00 0.00 30.24 29.53 2q3s n GLN 115 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2q3s n ILE 116 N -4.10 2.68 0.00 5.09 -5.35 -1.26 -4.76 119.36 111.66 2q3s n ILE 116 Ca -0.09 -1.73 0.00 0.00 -0.27 0.00 0.00 62.75 60.66 2q3s n ILE 116 Cb 0.43 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 2q3s n ILE 116 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2q3s n GLU 117 N -0.11 0.00 -0.16 6.28 2.13 -1.26 -2.37 120.64 125.14 2q3s n GLU 117 Ca 0.31 0.17 0.28 0.00 0.66 0.00 0.00 57.16 58.58 2q3s n GLU 117 Cb 1.17 -1.07 0.72 0.00 0.27 0.00 0.00 31.44 32.53 2q3s n GLU 117 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2q3s h GLU 118 N 0.00 0.00 -0.75 5.31 4.57 -2.01 0.17 114.58 121.86 2q3s h GLU 118 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 2q3s h GLU 118 Cb 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 2q3s h GLU 118 CO 0.00 0.00 0.48 -0.44 -1.18 0.00 0.00 179.01 177.87 2q3s h ASP 119 N 0.00 0.80 -0.03 1.04 3.32 -1.85 -2.63 116.42 117.06 2q3s h ASP 119 Ca 0.41 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.47 2q3s h ASP 119 Cb 1.66 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 2q3s h ASP 119 CO -0.00 0.56 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.97 2q3s h LEU 120 N 0.95 -0.10 -0.76 1.55 3.38 -0.28 -2.80 115.31 117.25 2q3s h LEU 120 Ca 0.29 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.30 2q3s h LEU 120 Cb -0.02 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2q3s h LEU 120 CO -0.10 -0.05 0.50 0.44 0.09 0.00 0.00 178.44 179.33 2q3s h ASP 121 N -0.04 0.86 -0.37 -0.43 3.32 -1.51 -2.36 116.42 115.88 2q3s h ASP 121 Ca 0.03 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.08 2q3s h ASP 121 Cb 0.08 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 2q3s h ASP 121 CO -0.06 0.61 0.19 -0.07 -1.72 0.00 0.00 179.24 178.19 2q3s h LEU 122 N 1.01 0.28 0.32 1.55 3.38 -1.41 0.89 115.31 121.34 2q3s h LEU 122 Ca 0.29 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2q3s h LEU 122 Cb -0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2q3s h LEU 122 CO -0.07 0.21 -0.38 -0.07 0.09 0.00 0.00 178.44 178.21 2q3s h LEU 123 N 0.39 -1.06 0.13 1.67 3.38 -1.40 2.23 115.31 120.64 2q3s h LEU 123 Ca 0.15 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2q3s h LEU 123 Cb 0.06 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2q3s h LEU 123 CO -0.10 -0.51 -0.11 -0.09 0.09 0.00 0.00 178.44 177.72 2q3s h ARG 124 N -0.75 -0.24 -0.09 1.13 2.43 -1.13 0.22 114.38 115.96 2q3s h ARG 124 Ca -0.02 0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 2q3s h ARG 124 Cb 0.69 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2q3s h ARG 124 CO -0.10 -0.16 -0.73 0.93 -1.51 0.00 0.00 179.97 178.40 2q3s h GLU 125 N -0.25 0.65 0.00 0.20 4.39 0.96 -0.75 114.58 119.78 2q3s h GLU 125 Ca -0.00 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.12 2q3s h GLU 125 Cb 0.23 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2q3s h GLU 125 CO -0.02 1.20 -0.82 0.09 -1.16 0.00 0.00 179.01 178.30 2q3s n ASN 126 N -4.04 0.75 0.00 1.42 4.13 0.75 -4.60 115.26 113.67 2q3s n ASN 126 Ca -0.09 -0.61 0.00 0.00 1.68 0.00 0.00 54.58 55.56 2q3s n ASN 126 Cb 0.72 0.70 0.00 0.00 -1.54 0.00 0.00 39.78 39.66 2q3s n ASN 126 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2q3s n HIS 127 N -1.56 0.00 -1.25 3.10 8.25 -0.12 -5.00 115.22 118.65 2q3s n HIS 127 Ca 0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.45 2q3s n HIS 127 Cb 0.35 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 2q3s n HIS 127 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2q3s n GLY 128 N 0.59 0.70 3.37 -1.41 0.00 0.60 -4.96 105.19 104.08 2q3s n GLY 128 Ca 0.00 -0.82 -0.45 0.00 0.00 0.00 0.00 46.02 44.75 2q3s n GLY 128 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2q3s s LEU 129 N -1.17 5.72 0.43 0.99 0.20 -1.08 -4.92 118.68 118.85 2q3s s LEU 129 Ca 0.00 -1.41 -0.17 0.00 0.69 0.00 0.00 54.13 53.24 2q3s s LEU 129 Cb 0.00 -2.19 -0.09 0.00 -0.43 0.00 0.00 46.19 43.48 2q3s s LEU 129 CO 0.00 -0.68 0.89 -0.69 -0.29 0.00 0.00 176.35 175.58 2q3s s VAL 130 N 1.63 4.54 -0.43 1.68 1.01 -1.26 -4.05 120.40 123.53 2q3s s VAL 130 Ca 0.04 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.24 2q3s s VAL 130 Cb -0.25 -3.65 0.14 0.00 0.00 0.00 0.00 36.38 32.61 2q3s s VAL 130 CO 0.06 -0.42 0.24 -0.63 0.00 0.00 0.00 175.10 174.35 2q3s s ILE 131 N -2.29 1.17 -0.35 2.22 1.01 -1.26 -3.70 121.20 118.00 2q3s s ILE 131 Ca 0.58 -2.42 0.21 0.00 0.00 0.00 0.00 60.65 59.02 2q3s s ILE 131 Cb -0.10 -1.82 0.21 0.00 0.01 0.00 0.00 42.46 40.76 2q3s s ILE 131 CO 0.21 -0.92 1.64 0.54 0.00 0.00 0.00 174.94 176.42 2q3s n ARG 132 N 3.61 0.15 -3.41 2.79 1.74 -1.26 -4.45 116.66 115.83 2q3s n ARG 132 Ca 0.10 0.55 -0.18 0.00 -0.77 0.00 0.00 57.85 57.55 2q3s n ARG 132 Cb 0.35 -1.90 -0.10 0.00 -1.02 0.00 0.00 32.46 29.79 2q3s n ARG 132 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2q3s s ASN 133 N -4.04 1.75 0.30 0.55 2.47 -1.26 -5.05 114.94 109.66 2q3s s ASN 133 Ca 0.00 -0.75 -0.06 0.00 0.42 0.00 0.00 52.86 52.47 2q3s s ASN 133 Cb 0.07 0.47 -0.00 0.00 -1.45 0.00 0.00 41.25 40.33 2q3s s ASN 133 CO 0.26 -0.39 0.44 0.00 -3.72 0.00 0.00 177.10 173.69 2q3s s ALA 134 N 2.35 0.49 -0.29 1.71 0.00 -1.26 -2.45 121.76 122.31 2q3s s ALA 134 Ca 0.09 -1.33 -0.19 0.00 0.00 0.00 0.00 51.96 50.53 2q3s s ALA 134 Cb -0.14 1.15 0.16 0.00 0.00 0.00 0.00 23.12 24.29 2q3s s ALA 134 CO -0.32 -0.79 1.09 -1.50 0.00 0.00 0.00 175.76 174.24 2q3s s ILE 135 N -3.46 0.00 -0.70 0.00 2.07 -0.63 -4.91 121.20 113.58 2q3s s ILE 135 Ca 0.29 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.26 2q3s s ILE 135 Cb 0.00 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.61 2q3s s ILE 135 CO 0.16 0.00 1.46 0.21 -1.91 0.00 0.00 174.94 174.86 2q3s s ASN 136 N 0.95 5.88 0.39 4.50 3.04 -1.26 -3.61 114.94 124.82 2q3s s ASN 136 Ca -0.05 -0.20 0.15 0.00 0.04 0.00 0.00 52.86 52.79 2q3s s ASN 136 Cb -0.04 -2.55 0.99 0.00 -1.54 0.00 0.00 41.25 38.11 2q3s s ASN 136 CO -0.12 -2.01 1.83 1.62 -3.04 0.00 0.00 177.10 175.37 2q3s h VAL 137 N 6.30 0.67 -0.95 -5.21 3.04 -1.94 -2.56 116.25 115.60 2q3s h VAL 137 Ca -0.27 -0.17 0.11 0.00 -1.01 0.00 0.00 66.70 65.35 2q3s h VAL 137 Cb 1.09 0.12 -0.08 0.00 -2.01 0.00 0.00 31.29 30.41 2q3s h VAL 137 CO 1.26 0.09 0.59 1.23 -1.01 0.00 0.00 177.57 179.73 2q3s h GLY 138 N 0.51 1.52 0.69 3.17 0.00 -1.89 5.57 103.07 112.65 2q3s h GLY 138 Ca 0.51 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 2q3s h GLY 138 CO -0.24 0.17 -0.27 0.50 0.00 0.00 0.00 176.54 176.70 2q3s h LYS 139 N 0.96 -0.73 -0.47 4.80 1.57 -1.73 0.64 116.57 121.61 2q3s h LYS 139 Ca 0.46 0.05 0.08 0.00 -1.87 0.00 0.00 60.65 59.37 2q3s h LYS 139 Cb 0.41 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 2q3s h LYS 139 CO -0.25 -0.43 0.10 1.25 -0.57 0.00 0.00 179.45 179.55 2q3s h LEU 140 N -1.08 0.02 -0.89 2.94 5.85 -1.17 0.58 115.31 121.56 2q3s h LEU 140 Ca -0.08 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2q3s h LEU 140 Cb 0.64 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2q3s h LEU 140 CO 0.13 0.04 0.58 0.00 -0.34 0.00 0.00 178.44 178.85 2q3s h ALA 141 N 1.36 1.13 0.37 1.25 0.00 1.14 0.45 119.26 124.96 2q3s h ALA 141 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2q3s h ALA 141 Cb 0.30 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2q3s h ALA 141 CO -0.30 0.55 -0.18 0.00 0.00 0.00 0.00 179.25 179.33 2q3s h ALA 142 N 1.32 -0.49 -0.76 0.00 0.00 0.14 -1.57 119.26 117.89 2q3s h ALA 142 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2q3s h ALA 142 Cb -0.12 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2q3s h ALA 142 CO -0.07 -0.58 0.49 0.93 0.00 0.00 0.00 179.25 180.02 2q3s h GLU 143 N -0.90 1.01 0.27 0.00 5.08 0.21 0.12 114.58 120.37 2q3s h GLU 143 Ca -0.05 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2q3s h GLU 143 Cb 0.54 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2q3s h GLU 143 CO 0.08 0.68 -0.13 0.00 -1.00 0.00 0.00 179.01 178.64 2q3s h ALA 144 N 1.50 -0.37 -0.16 3.43 0.00 -0.14 -3.26 119.26 120.26 2q3s h ALA 144 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2q3s h ALA 144 Cb -0.09 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2q3s h ALA 144 CO -0.06 -0.44 0.00 0.54 0.00 0.00 0.00 179.25 179.29 2q3s n ARG 145 N -5.05 1.46 -3.70 0.00 1.74 -0.59 -4.92 116.66 105.61 2q3s n ARG 145 Ca -0.08 -0.71 -0.26 0.00 -0.77 0.00 0.00 57.85 56.03 2q3s n ARG 145 Cb 0.26 -1.24 0.06 0.00 -1.02 0.00 0.00 32.46 30.52 2q3s n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2q3s n GLY 146 N 0.90 -0.53 2.76 -0.13 0.00 0.32 -4.97 105.19 103.54 2q3s n GLY 146 Ca 0.10 0.24 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 2q3s n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q3s s THR 147 N -3.31 1.48 0.38 2.61 2.01 -0.67 -5.01 115.64 113.13 2q3s s THR 147 Ca 0.61 -2.42 0.22 0.00 0.31 0.00 0.00 61.69 60.41 2q3s s THR 147 Cb -0.28 -2.05 0.38 0.00 0.01 0.00 0.00 72.50 70.55 2q3s s THR 147 CO 0.76 -0.83 1.61 -0.07 -0.69 0.00 0.00 174.62 175.40 2q3s h LEU 148 N 6.99 0.35 -1.52 4.42 3.38 -1.94 -2.31 115.31 124.69 2q3s h LEU 148 Ca -0.04 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2q3s h LEU 148 Cb 0.94 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2q3s h LEU 148 CO 0.50 -0.32 -0.21 1.62 0.09 0.00 0.00 178.44 180.13 2q3s h VAL 149 N 0.09 0.70 -0.23 1.22 3.04 -1.94 -3.08 116.25 116.04 2q3s h VAL 149 Ca 0.82 -0.89 0.07 0.00 -1.01 0.00 0.00 66.70 65.69 2q3s h VAL 149 Cb 2.20 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 33.03 2q3s h VAL 149 CO -0.66 0.20 0.26 -0.07 -1.01 0.00 0.00 177.57 176.30 2q3s h LEU 150 N 0.00 0.00 -1.84 3.16 3.38 -1.69 -1.68 115.31 116.65 2q3s h LEU 150 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2q3s h LEU 150 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2q3s h LEU 150 CO 0.03 0.00 -0.12 -0.08 0.09 0.00 0.00 178.44 178.36 2q3s h GLU 151 N 0.00 0.00 -0.68 1.13 4.81 -1.44 -3.30 114.58 115.09 2q3s h GLU 151 Ca 0.11 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.88 2q3s h GLU 151 Cb 0.64 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 29.73 2q3s h GLU 151 CO -0.00 0.12 -0.12 1.19 -0.73 0.00 0.00 179.01 179.47 2q3s n PHE 152 N -3.54 2.32 -3.83 0.92 3.01 -0.63 -4.71 117.46 111.00 2q3s n PHE 152 Ca -0.01 -2.22 -0.22 0.00 1.01 0.00 0.00 57.45 56.01 2q3s n PHE 152 Cb 0.26 -0.69 -0.04 0.00 -0.01 0.00 0.00 39.48 39.00 2q3s n PHE 152 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2q3s s LEU 153 N -3.54 3.39 0.52 4.37 1.43 -1.24 -5.10 118.68 118.51 2q3s s LEU 153 Ca 0.53 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 2q3s s LEU 153 Cb 0.44 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.73 2q3s s LEU 153 CO 0.01 -0.47 0.72 -0.83 0.23 0.00 0.00 176.35 176.02 2q3s s GLY 154 N -4.00 1.84 0.10 -3.19 0.00 -1.26 -4.73 107.32 96.08 2q3s s GLY 154 Ca 0.43 -1.40 -0.23 0.00 0.00 0.00 0.00 44.72 43.53 2q3s s GLY 154 CO 0.26 -1.14 1.38 -0.84 0.00 0.00 0.00 173.10 172.76 2q3s h THR 155 N 0.21 0.00 0.09 0.90 2.02 -2.00 -2.02 112.91 112.11 2q3s h THR 155 Ca -0.42 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.79 2q3s h THR 155 Cb 1.29 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 2q3s h THR 155 CO 0.51 0.00 -0.35 -0.09 0.37 0.00 0.00 175.52 175.96 2q3s h ARG 156 N -0.17 -0.54 -0.68 6.66 1.12 -1.97 -2.79 114.38 116.01 2q3s h ARG 156 Ca 0.08 0.04 0.09 0.00 -1.11 0.00 0.00 59.98 59.07 2q3s h ARG 156 Cb 0.37 0.12 -0.07 0.00 -0.01 0.00 0.00 29.97 30.38 2q3s h ARG 156 CO -0.52 -0.36 0.34 1.49 -3.11 0.00 0.00 179.97 177.81 2q3s h GLU 157 N -0.56 0.57 0.62 0.20 4.57 -1.86 0.69 114.58 118.81 2q3s h GLU 157 Ca 0.04 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2q3s h GLU 157 Cb 0.61 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2q3s h GLU 157 CO -0.23 0.38 -0.39 1.25 -1.18 0.00 0.00 179.01 178.84 2q3s h LEU 158 N 0.59 -1.00 -1.04 1.64 5.85 -1.30 0.57 115.31 120.62 2q3s h LEU 158 Ca 0.33 0.06 0.25 0.00 0.84 0.00 0.00 57.88 59.36 2q3s h LEU 158 Cb 0.33 0.29 -0.12 0.00 0.37 0.00 0.00 40.66 41.53 2q3s h LEU 158 CO -0.25 -0.60 0.60 0.00 -0.34 0.00 0.00 178.44 177.85 2q3s h ALA 159 N -1.32 1.85 -0.02 1.25 0.00 -0.97 0.99 119.26 121.04 2q3s h ALA 159 Ca -0.08 0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2q3s h ALA 159 Cb 0.77 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2q3s h ALA 159 CO 0.08 -0.33 -0.18 1.25 0.00 0.00 0.00 179.25 180.07 2q3s h HIS 160 N 0.55 -0.48 0.00 0.00 -0.00 0.22 -1.33 115.15 114.11 2q3s h HIS 160 Ca 0.65 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.95 2q3s h HIS 160 Cb 1.29 0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 28.90 2q3s h HIS 160 CO -0.01 -0.26 -0.42 0.00 -0.00 0.00 0.00 177.93 177.24 2q3s h ARG 161 N -0.29 0.00 0.09 5.26 2.47 0.24 -0.33 114.38 121.83 2q3s h ARG 161 Ca 0.06 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.55 2q3s h ARG 161 Cb 0.37 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2q3s h ARG 161 CO -0.19 0.42 -1.21 0.28 0.56 0.00 0.00 179.97 179.83 2q3s h VAL 162 N 0.00 1.13 -0.02 2.04 2.07 -0.92 -3.40 116.25 117.15 2q3s h VAL 162 Ca -0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2q3s h VAL 162 Cb 0.94 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2q3s h VAL 162 CO 0.05 0.65 -0.19 0.18 0.02 0.00 0.00 177.57 178.29 2q3s n LEU 163 N -4.06 2.10 -3.84 2.57 4.77 -0.52 -5.01 117.00 113.02 2q3s n LEU 163 Ca -0.23 -0.88 -0.22 0.00 -0.03 0.00 0.00 56.01 54.64 2q3s n LEU 163 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 2q3s n LEU 163 CO 0.39 0.38 -0.11 0.79 -1.33 0.00 0.00 177.39 177.51 2q3s n TRP 164 N 0.44 -0.66 -3.33 -1.77 8.01 -0.13 -4.94 117.44 115.06 2q3s n TRP 164 Ca 0.09 0.06 -0.22 0.00 -1.31 0.00 0.00 57.50 56.12 2q3s n TRP 164 Cb 0.41 -1.36 0.04 0.00 -2.01 0.00 0.00 31.31 28.39 2q3s n TRP 164 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2q3s s SER 165 N -4.19 4.91 -0.23 -0.99 0.15 -1.26 -5.09 113.70 107.00 2q3s s SER 165 Ca 0.21 -1.01 -0.16 0.00 0.70 0.00 0.00 55.95 55.69 2q3s s SER 165 Cb -0.12 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 2q3s s SER 165 CO 0.49 -1.30 0.40 -0.62 1.20 0.00 0.00 173.24 173.40 2q3s s ASP 166 N -4.56 6.37 -0.26 5.45 -1.08 -1.26 -4.95 116.67 116.38 2q3s s ASP 166 Ca 0.52 0.44 0.12 0.00 -0.52 0.00 0.00 52.55 53.12 2q3s s ASP 166 Cb -0.04 -2.23 0.61 0.00 -1.46 0.00 0.00 42.92 39.80 2q3s s ASP 166 CO 0.33 -0.13 1.58 0.18 0.52 0.00 0.00 175.17 177.65 2q3s n LEU 167 N 4.86 4.81 -0.02 -1.34 4.77 -1.26 -4.76 117.00 124.06 2q3s n LEU 167 Ca -0.08 -3.27 -0.12 0.00 -0.03 0.00 0.00 56.01 52.51 2q3s n LEU 167 Cb 0.51 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 2q3s n LEU 167 CO 0.39 0.86 0.59 1.23 -1.33 0.00 0.00 177.39 179.13 2q3s h GLY 168 N 1.96 -0.64 0.69 -0.72 0.00 -1.99 0.15 103.07 102.51 2q3s h GLY 168 Ca 0.15 0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.99 2q3s h GLY 168 CO 0.46 -0.22 -0.32 -1.61 0.00 0.00 0.00 176.54 174.85 2q3s h GLN 169 N -0.45 -0.68 0.15 4.80 5.75 -2.00 -0.94 115.11 121.75 2q3s h GLN 169 Ca 0.09 0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 2q3s h GLN 169 Cb 0.61 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 2q3s h GLN 169 CO -0.42 -0.45 -0.18 1.25 -2.65 0.00 0.00 178.83 176.37 2q3s h LEU 170 N -0.70 -0.50 -1.05 -2.39 5.85 -1.88 -2.18 115.31 112.45 2q3s h LEU 170 Ca -0.03 0.05 0.19 0.00 0.84 0.00 0.00 57.88 58.93 2q3s h LEU 170 Cb 0.62 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.73 2q3s h LEU 170 CO -0.04 -0.27 0.61 0.44 -0.34 0.00 0.00 178.44 178.85 2q3s h ASP 171 N -0.38 0.77 -0.81 1.25 3.45 -0.56 -1.30 116.42 118.84 2q3s h ASP 171 Ca 0.01 0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.52 2q3s h ASP 171 Cb 0.38 -0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 39.06 2q3s h ASP 171 CO -0.07 0.28 0.36 0.77 -1.57 0.00 0.00 179.24 179.02 2q3s h SER 172 N 0.75 1.08 0.26 6.45 4.64 -0.54 0.81 113.55 127.00 2q3s h SER 172 Ca 0.57 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 2q3s h SER 172 Cb 0.90 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2q3s h SER 172 CO -0.35 0.93 -0.12 0.40 -0.87 0.00 0.00 176.83 176.81 2q3s h ILE 173 N 1.16 0.66 -0.21 0.95 2.04 -0.94 -3.28 117.51 117.89 2q3s h ILE 173 Ca 0.28 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2q3s h ILE 173 Cb 0.16 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2q3s h ILE 173 CO -0.03 0.15 0.01 -0.33 0.00 0.00 0.00 178.15 177.94 2q3s h GLU 174 N -0.87 0.31 -0.26 2.37 5.08 -1.19 -1.45 114.58 118.56 2q3s h GLU 174 Ca -0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2q3s h GLU 174 Cb 0.51 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2q3s h GLU 174 CO 0.06 0.33 0.07 0.00 -1.00 0.00 0.00 179.01 178.47 2q3s h ALA 175 N 1.71 1.63 -0.56 3.43 0.00 -0.92 -1.72 119.26 122.82 2q3s h ALA 175 Ca 0.07 -0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 2q3s h ALA 175 Cb 0.20 -0.12 -0.21 0.00 0.00 0.00 0.00 17.79 17.66 2q3s h ALA 175 CO 0.00 0.28 -0.06 0.36 0.00 0.00 0.00 179.25 179.84 2q3s n LYS 176 N -4.39 2.34 -0.36 0.00 -0.00 -0.81 -4.86 118.16 110.08 2q3s n LYS 176 Ca 0.01 -3.40 0.07 0.00 -0.00 0.00 0.00 58.31 54.99 2q3s n LYS 176 Cb 0.15 -2.00 0.17 0.00 -0.00 0.00 0.00 35.03 33.35 2q3s n LYS 176 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 2q3s h TRP 177 N 1.38 -0.44 0.00 5.58 2.91 -0.33 0.38 115.95 125.43 2q3s h TRP 177 Ca 0.33 0.09 -0.00 0.00 1.13 0.00 0.00 58.89 60.44 2q3s h TRP 177 Cb 1.59 0.35 -0.00 0.00 -0.51 0.00 0.00 29.16 30.59 2q3s h TRP 177 CO 1.10 -0.43 -0.02 1.05 -1.03 0.00 0.00 178.44 179.11 2q3s h GLU 178 N 0.00 0.00 0.00 2.65 9.09 -1.88 -2.24 114.58 122.21 2q3s h GLU 178 Ca 0.50 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.66 2q3s h GLU 178 Cb 0.82 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.87 2q3s h GLU 178 CO -1.01 0.02 -1.78 1.63 0.05 0.00 0.00 179.01 177.92 2q3s n LYS 179 N -3.26 0.64 -1.70 1.06 5.02 0.13 -4.95 118.16 115.10 2q3s n LYS 179 Ca -0.02 0.18 -0.44 0.00 -2.02 0.00 0.00 58.31 56.01 2q3s n LYS 179 Cb 0.14 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.40 2q3s n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2q3s n ALA 180 N -2.53 1.97 -1.89 7.82 0.00 -0.76 -5.00 120.51 120.11 2q3s n ALA 180 Ca -0.17 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.37 2q3s n ALA 180 Cb 0.98 -2.40 0.19 0.00 0.00 0.00 0.00 19.45 18.22 2q3s n ALA 180 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2q3s s GLY 181 N 0.71 1.78 0.22 0.00 0.00 -1.26 -4.68 107.32 104.08 2q3s s GLY 181 Ca 0.71 -1.20 -0.09 0.00 0.00 0.00 0.00 44.72 44.15 2q3s s GLY 181 CO 0.42 -0.42 1.70 -2.55 0.00 0.00 0.00 173.10 172.25 2q3s h PRO 182 N -1.70 0.25 -0.00 2.90 0.11 -1.97 0.32 132.00 131.92 2q3s h PRO 182 Ca -0.44 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 2q3s h PRO 182 Cb 1.24 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2q3s h PRO 182 CO 0.37 0.17 -0.59 1.49 -0.21 0.00 0.00 178.00 179.23 2q3s h GLU 183 N 0.26 0.01 -0.01 1.05 4.81 -1.96 1.61 114.58 120.35 2q3s h GLU 183 Ca 0.34 -0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.34 2q3s h GLU 183 Cb 0.53 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.92 2q3s h GLU 183 CO -0.43 0.59 -0.90 0.93 -0.73 0.00 0.00 179.01 178.47 2q3s h GLU 184 N 0.00 0.62 0.02 1.92 5.08 -1.56 0.63 114.58 121.28 2q3s h GLU 184 Ca -0.01 -0.66 -0.21 0.00 -1.00 0.00 0.00 59.36 57.49 2q3s h GLU 184 Cb 1.04 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2q3s h GLU 184 CO 0.08 1.26 -0.92 1.96 -1.00 0.00 0.00 179.01 180.38 2q3s h GLN 185 N 0.25 0.18 -0.83 2.33 4.20 -0.24 -1.66 115.11 119.34 2q3s h GLN 185 Ca -0.11 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.34 2q3s h GLN 185 Cb 1.57 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.38 2q3s h GLN 185 CO 0.18 0.98 0.36 1.25 -0.67 0.00 0.00 178.83 180.93 2q3s h LEU 186 N 0.09 1.11 -2.14 1.46 5.85 0.23 -1.40 115.31 120.52 2q3s h LEU 186 Ca -0.05 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 2q3s h LEU 186 Cb 1.58 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2q3s h LEU 186 CO 0.14 0.96 -0.06 -0.08 -0.34 0.00 0.00 178.44 179.06 2q3s h GLU 187 N 1.19 0.00 0.18 1.25 4.81 -0.25 -0.58 114.58 121.17 2q3s h GLU 187 Ca 0.28 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.21 2q3s h GLU 187 Cb 0.17 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.57 2q3s h GLU 187 CO -0.03 0.06 -1.40 0.00 -0.73 0.00 0.00 179.01 176.90 2q3s h ALA 188 N 1.94 0.03 0.00 2.92 0.00 -0.37 0.15 119.26 123.94 2q3s h ALA 188 Ca -0.00 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2q3s h ALA 188 Cb 0.26 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2q3s h ALA 188 CO 0.01 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.01 2q3s h ALA 189 N 0.07 1.00 0.03 0.00 0.00 -1.20 1.30 119.26 120.45 2q3s h ALA 189 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2q3s h ALA 189 Cb 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2q3s h ALA 189 CO 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.40 2q3s h ALA 190 N 2.09 -0.09 -0.84 0.00 0.00 -1.16 -2.31 119.26 116.96 2q3s h ALA 190 Ca 0.00 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.10 2q3s h ALA 190 Cb 0.64 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.29 2q3s h ALA 190 CO 0.00 -0.09 -0.01 0.82 0.00 0.00 0.00 179.25 179.97 2q3s h ILE 191 N -0.35 0.22 -0.88 0.00 2.04 -0.53 -1.08 117.51 116.93 2q3s h ILE 191 Ca -0.00 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.90 2q3s h ILE 191 Cb 0.03 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.19 2q3s h ILE 191 CO 0.01 0.01 0.54 -0.33 0.00 0.00 0.00 178.15 178.38 2q3s h GLU 192 N 0.07 0.94 -0.53 2.37 5.08 0.16 -1.83 114.58 120.83 2q3s h GLU 192 Ca 0.47 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.74 2q3s h GLU 192 Cb 0.86 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2q3s h GLU 192 CO -0.77 0.62 0.20 0.78 -1.00 0.00 0.00 179.01 178.84 2q3s h GLY 193 N 0.97 0.83 0.82 -3.84 0.00 -0.60 -1.50 103.07 99.75 2q3s h GLY 193 Ca 0.39 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 47.15 2q3s h GLY 193 CO -0.19 0.40 -0.54 -0.25 0.00 0.00 0.00 176.54 175.96 2q3s h TRP 194 N 0.76 0.64 -0.32 5.60 7.01 -1.28 -2.77 115.95 125.59 2q3s h TRP 194 Ca 0.18 -0.31 0.05 0.00 2.11 0.00 0.00 58.89 60.92 2q3s h TRP 194 Cb 0.17 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.10 2q3s h TRP 194 CO 0.01 1.11 0.04 -0.07 -2.79 0.00 0.00 178.44 176.73 2q3s h LEU 195 N -0.01 -0.04 -0.09 0.65 3.38 -0.99 0.28 115.31 118.49 2q3s h LEU 195 Ca -0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2q3s h LEU 195 Cb 1.22 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2q3s h LEU 195 CO 0.11 0.01 0.00 -0.38 0.09 0.00 0.00 178.44 178.27 2q3s n ILE 196 N -5.12 0.62 0.15 1.22 2.08 -0.60 -1.31 119.36 116.39 2q3s n ILE 196 Ca 0.00 0.12 -0.25 0.00 0.56 0.00 0.00 62.75 63.19 2q3s n ILE 196 Cb 0.15 -0.83 -0.16 0.00 -0.75 0.00 0.00 39.64 38.06 2q3s n ILE 196 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2q3s h VAL 197 N 0.00 1.28 0.00 1.39 2.07 -0.33 -2.82 116.25 117.85 2q3s h VAL 197 Ca 0.00 -2.69 0.00 0.00 0.82 0.00 0.00 66.70 64.83 2q3s h VAL 197 Cb 0.39 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 2q3s h VAL 197 CO 0.00 0.81 0.00 0.59 0.02 0.00 0.00 177.57 178.99 2q3s n ASN 198 N -3.73 0.00 -0.06 0.57 3.02 0.67 -2.41 115.26 113.32 2q3s n ASN 198 Ca -0.17 0.47 -0.05 0.00 -0.03 0.00 0.00 54.58 54.80 2q3s n ASN 198 Cb 1.10 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 39.75 2q3s n ASN 198 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2q3s h VAL 199 N 0.00 0.42 -0.79 2.41 2.07 -1.42 -2.51 116.25 116.44 2q3s h VAL 199 Ca 0.00 -1.36 0.15 0.00 0.82 0.00 0.00 66.70 66.31 2q3s h VAL 199 Cb 0.23 0.84 -0.10 0.00 -1.52 0.00 0.00 31.29 30.74 2q3s h VAL 199 CO 0.00 0.14 0.34 -0.25 0.02 0.00 0.00 177.57 177.82 2q3s h TRP 200 N -1.00 0.58 -0.65 1.57 2.91 -1.31 -0.19 115.95 117.86 2q3s h TRP 200 Ca -0.03 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 2q3s h TRP 200 Cb 0.40 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 2q3s h TRP 200 CO 0.02 0.08 0.32 -0.44 -1.03 0.00 0.00 178.44 177.39 2q3s h ASP 201 N 0.48 0.84 1.30 2.65 5.19 -1.60 -1.30 116.42 123.98 2q3s h ASP 201 Ca 0.44 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 2q3s h ASP 201 Cb 0.67 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.96 2q3s h ASP 201 CO -0.41 0.73 0.00 -0.61 -3.12 0.00 0.00 179.24 175.83 2q3s h GLN 202 N 0.89 0.00 0.00 3.56 5.75 -0.64 -3.18 115.11 121.49 2q3s h GLN 202 Ca 0.22 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.63 2q3s h GLN 202 Cb 0.10 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2q3s h GLN 202 CO -0.03 0.00 -0.52 -0.07 -2.65 0.00 0.00 178.83 175.56 2q3s h LEU 203 N 0.00 0.00 -1.94 -2.39 3.38 -0.81 -3.35 115.31 110.21 2q3s h LEU 203 Ca 0.00 -0.72 0.38 0.00 0.09 0.00 0.00 57.88 57.63 2q3s h LEU 203 Cb 0.65 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 2q3s h LEU 203 CO 0.00 1.16 0.93 0.28 0.09 0.00 0.00 178.44 180.90 2q3s h SER 204 N -1.00 0.04 0.96 -0.43 0.02 -1.25 1.59 113.55 113.48 2q3s h SER 204 Ca -0.14 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2q3s h SER 204 Cb 1.05 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 2q3s h SER 204 CO -0.08 -0.00 -0.03 0.44 -1.14 0.00 0.00 176.83 176.02 2q3s h ASP 205 N 0.03 0.00 -0.02 3.07 3.32 -1.68 -3.52 116.42 117.62 2q3s h ASP 205 Ca 0.63 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.68 2q3s h ASP 205 Cb 2.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.01 2q3s h ASP 205 CO -0.04 0.03 0.00 -0.62 -1.72 0.00 0.00 179.24 176.89