#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 2.77 0.03 7.33 0.00 -1.26 -5.05 121.76 125.58 2q3s s ALA 2 Ca 0.00 0.80 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 2q3s s ALA 2 Cb 0.00 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.82 2q3s s ALA 2 CO 0.00 -0.67 0.45 -1.54 0.00 0.00 0.00 175.76 174.01 2q3s s SER 3 N -1.75 -0.35 -1.19 0.00 1.04 -1.26 -5.06 113.70 105.14 2q3s s SER 3 Ca 0.70 0.12 -0.11 0.00 0.48 0.00 0.00 55.95 57.14 2q3s s SER 3 Cb -0.23 0.44 0.21 0.00 0.10 0.00 0.00 66.02 66.53 2q3s s SER 3 CO 0.27 -0.65 1.44 0.49 0.98 0.00 0.00 173.24 175.77 2q3s n PHE 4 N 0.62 4.51 0.23 5.02 3.01 -1.26 -4.76 117.46 124.82 2q3s n PHE 4 Ca -0.19 -3.34 0.09 0.00 1.01 0.00 0.00 57.45 55.02 2q3s n PHE 4 Cb 0.59 -1.96 0.26 0.00 -0.01 0.00 0.00 39.48 38.36 2q3s n PHE 4 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2q3s n ASP 5 N 4.28 3.04 -3.20 4.37 5.68 -1.25 -4.46 116.55 125.00 2q3s n ASP 5 Ca 0.33 -1.99 -0.19 0.00 -0.50 0.00 0.00 54.79 52.44 2q3s n ASP 5 Cb 0.40 -0.36 0.15 0.00 -1.14 0.00 0.00 41.12 40.17 2q3s n ASP 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2q3s n GLY 6 N 1.41 -2.21 3.72 6.12 0.00 -0.77 -4.94 105.19 108.52 2q3s n GLY 6 Ca 0.19 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.37 2.06 -4.10 1.61 -0.04 -1.26 -4.50 135.00 125.40 2q3s n PRO 7 Ca 0.10 0.73 -0.34 0.00 -0.04 0.00 0.00 63.50 63.96 2q3s n PRO 7 Cb 0.38 -2.46 -0.07 0.00 -0.04 0.00 0.00 33.50 31.31 2q3s n PRO 7 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2q3s s LYS 8 N -2.24 3.12 -0.01 0.54 -2.85 -1.26 -3.22 119.74 113.82 2q3s s LYS 8 Ca 0.60 -0.42 0.07 0.00 -1.00 0.00 0.00 55.97 55.22 2q3s s LYS 8 Cb -0.49 -2.91 -0.02 0.00 -2.06 0.00 0.00 37.83 32.35 2q3s s LYS 8 CO 0.58 0.67 -0.21 -0.06 0.10 0.00 0.00 175.35 176.43 2q3s s PHE 9 N -1.14 2.47 0.69 1.78 0.08 -0.75 -4.92 117.98 116.18 2q3s s PHE 9 Ca 0.21 -0.33 -0.05 0.00 0.12 0.00 0.00 56.93 56.89 2q3s s PHE 9 Cb -0.12 -1.52 0.07 0.00 -0.57 0.00 0.00 43.02 40.88 2q3s s PHE 9 CO 0.12 0.08 0.97 0.21 -0.10 0.00 0.00 175.22 176.50 2q3s s LYS 10 N -0.81 2.12 -0.04 0.44 2.20 -1.26 -0.22 119.74 122.17 2q3s s LYS 10 Ca 0.11 -0.49 0.17 0.00 -0.36 0.00 0.00 55.97 55.40 2q3s s LYS 10 Cb -0.10 -2.24 -0.21 0.00 -1.51 0.00 0.00 37.83 33.77 2q3s s LYS 10 CO 0.01 -1.21 0.55 0.25 -0.36 0.00 0.00 175.35 174.58 2q3s n THR 12 N -2.83 1.22 1.86 3.43 -2.24 -1.26 -4.99 114.28 109.48 2q3s n THR 12 Ca 0.09 -0.74 0.11 0.00 -2.27 0.00 0.00 64.05 61.24 2q3s n THR 12 Cb 0.60 -0.66 0.66 0.00 -2.10 0.00 0.00 70.33 68.83 2q3s n THR 12 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2q3s n ASP 13 N -2.82 0.00 0.00 3.42 5.75 -1.26 -4.83 116.55 116.81 2q3s n ASP 13 Ca -0.17 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.44 2q3s n ASP 13 Cb 0.95 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.04 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 0.75 3.43 3.75 6.12 0.00 -1.26 -5.06 105.19 112.92 2q3s n GLY 14 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.95 3.58 -0.11 1.61 1.04 -1.26 -5.02 113.70 112.59 2q3s s SER 15 Ca 0.00 1.25 0.02 0.00 0.48 0.00 0.00 55.95 57.70 2q3s s SER 15 Cb 0.00 -1.92 0.01 0.00 0.10 0.00 0.00 66.02 64.21 2q3s s SER 15 CO 0.00 -2.54 -0.17 -0.31 0.98 0.00 0.00 173.24 171.20 2q3s s TYR 16 N -3.08 2.10 -0.11 5.02 1.51 -1.26 -4.38 117.35 117.15 2q3s s TYR 16 Ca 0.63 -0.97 -0.22 0.00 -1.01 0.00 0.00 57.07 55.51 2q3s s TYR 16 Cb -0.16 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.17 2q3s s TYR 16 CO 0.55 -0.47 0.66 0.08 -1.11 0.00 0.00 175.55 175.26 2q3s s VAL 17 N 0.84 5.05 -0.20 0.71 1.01 0.69 -4.86 120.40 123.64 2q3s s VAL 17 Ca -0.09 1.32 -0.20 0.00 0.00 0.00 0.00 61.98 63.01 2q3s s VAL 17 Cb -0.15 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2q3s s VAL 17 CO 0.00 0.21 0.59 -1.10 0.00 0.00 0.00 175.10 174.80 2q3s s GLN 18 N 1.12 4.19 0.31 2.72 -0.21 -0.91 -1.82 119.66 125.07 2q3s s GLN 18 Ca 0.34 0.53 0.09 0.00 0.02 0.00 0.00 55.36 56.33 2q3s s GLN 18 Cb -0.17 -3.58 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 2q3s s GLN 18 CO 0.15 -0.22 0.08 0.95 -2.12 0.00 0.00 175.29 174.12 2q3s s THR 19 N 1.87 3.17 -0.21 -0.19 -4.23 -1.20 0.46 115.64 115.31 2q3s s THR 19 Ca 0.27 -1.79 -0.18 0.00 -1.18 0.00 0.00 61.69 58.80 2q3s s THR 19 Cb -0.16 -2.92 0.06 0.00 1.34 0.00 0.00 72.50 70.82 2q3s s THR 19 CO 0.10 -0.26 0.55 -0.75 -0.54 0.00 0.00 174.62 173.73 2q3s s LYS 20 N -3.77 0.63 -0.09 3.99 2.47 0.44 -1.84 119.74 121.56 2q3s s LYS 20 Ca 0.35 0.81 0.02 0.00 -1.56 0.00 0.00 55.97 55.60 2q3s s LYS 20 Cb -0.04 0.27 0.01 0.00 -1.46 0.00 0.00 37.83 36.61 2q3s s LYS 20 CO 0.21 -0.09 -0.16 0.99 0.16 0.00 0.00 175.35 176.46 2q3s s THR 21 N 0.52 1.48 -0.10 3.43 2.01 -1.26 0.11 115.64 121.83 2q3s s THR 21 Ca -0.02 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2q3s s THR 21 Cb -0.04 -1.34 -0.00 0.00 0.01 0.00 0.00 72.50 71.12 2q3s s THR 21 CO -0.02 0.44 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.47 2q3s s ILE 22 N 0.80 2.08 -0.28 1.82 1.01 -0.48 -4.97 121.20 121.17 2q3s s ILE 22 Ca -0.11 -1.02 -0.22 0.00 0.00 0.00 0.00 60.65 59.30 2q3s s ILE 22 Cb -0.16 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 2q3s s ILE 22 CO 0.02 0.56 0.74 -1.81 0.00 0.00 0.00 174.94 174.44 2q3s s ASP 23 N 0.29 6.65 -0.31 3.58 1.01 -1.26 -1.44 116.67 125.19 2q3s s ASP 23 Ca -0.17 0.70 -0.16 0.00 0.71 0.00 0.00 52.55 53.62 2q3s s ASP 23 Cb -0.18 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2q3s s ASP 23 CO 0.08 -0.53 0.41 -0.69 0.21 0.00 0.00 175.17 174.66 2q3s s VAL 24 N 2.79 5.13 0.03 -1.27 1.01 -0.35 -4.95 120.40 122.78 2q3s s VAL 24 Ca 0.30 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2q3s s VAL 24 Cb -0.15 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2q3s s VAL 24 CO 0.11 -0.01 0.04 0.61 0.00 0.00 0.00 175.10 175.84 2q3s n GLY 25 N 4.77 2.12 0.00 4.51 0.00 -1.26 -3.28 105.19 112.05 2q3s n GLY 25 Ca -0.07 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 43.94 2q3s n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2q3s n SER 26 N -2.80 0.00 -0.02 1.61 3.41 -1.26 -3.80 113.62 110.76 2q3s n SER 26 Ca 0.01 -0.81 -0.03 0.00 -0.26 0.00 0.00 58.87 57.78 2q3s n SER 26 Cb 0.03 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 2q3s n SER 26 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2q3s n SER 27 N -1.01 3.79 -1.80 4.04 3.41 -1.26 -4.56 113.62 116.24 2q3s n SER 27 Ca 0.20 -0.02 -0.25 0.00 -0.26 0.00 0.00 58.87 58.54 2q3s n SER 27 Cb 0.09 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 2q3s n SER 27 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2q3s n THR 28 N -2.51 0.00 -2.77 6.66 -1.04 -1.25 -4.82 114.28 108.55 2q3s n THR 28 Ca -0.07 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.51 2q3s n THR 28 Cb 0.58 -0.21 -0.04 0.00 -1.82 0.00 0.00 70.33 68.85 2q3s n THR 28 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2q3s s ASP 29 N 2.39 6.40 0.00 8.00 3.68 -1.26 -4.81 116.67 131.07 2q3s s ASP 29 Ca 0.50 -0.15 0.25 0.00 2.13 0.00 0.00 52.55 55.28 2q3s s ASP 29 Cb -0.63 -2.47 0.49 0.00 -1.45 0.00 0.00 42.92 38.87 2q3s s ASP 29 CO 0.28 -1.26 1.40 2.30 0.13 0.00 0.00 175.17 178.02 2q3s n ILE 30 N 6.36 0.00 0.05 4.11 -5.35 -1.26 -4.18 119.36 119.09 2q3s n ILE 30 Ca 0.04 -0.13 0.18 0.00 -0.27 0.00 0.00 62.75 62.57 2q3s n ILE 30 Cb 0.48 0.60 0.68 0.00 -1.74 0.00 0.00 39.64 39.66 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 1.22 0.01 0.48 7.28 0.87 -1.93 -1.98 113.55 119.50 2q3s h SER 31 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2q3s h SER 31 Cb 0.56 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 2q3s h SER 31 CO 0.00 0.00 -0.44 -0.65 -0.53 0.00 0.00 176.83 175.22 2q3s h PRO 32 N 0.01 -0.87 0.00 2.24 0.11 -2.00 -1.53 132.00 129.95 2q3s h PRO 32 Ca 0.20 0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 2q3s h PRO 32 Cb 0.81 0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2q3s h PRO 32 CO -0.00 -0.58 -0.10 1.88 -0.21 0.00 0.00 178.00 178.99 2q3s h TYR 33 N -0.90 0.00 -0.47 0.65 0.05 -1.76 -1.87 116.97 112.66 2q3s h TYR 33 Ca -0.06 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.61 2q3s h TYR 33 Cb 0.77 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 2q3s h TYR 33 CO -0.20 0.10 -0.12 -0.07 -1.05 0.00 0.00 178.16 176.81 2q3s h LEU 34 N 0.00 0.87 -1.21 3.88 3.38 -1.20 -2.70 115.31 118.34 2q3s h LEU 34 Ca -0.00 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 2q3s h LEU 34 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2q3s h LEU 34 CO 0.01 1.00 -0.24 0.28 0.09 0.00 0.00 178.44 179.58 2q3s h SER 35 N 0.78 0.00 -0.66 -0.43 0.02 -0.47 0.30 113.55 113.09 2q3s h SER 35 Ca 0.13 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 2q3s h SER 35 Cb 0.64 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 2q3s h SER 35 CO 0.04 0.24 0.08 -0.07 -1.14 0.00 0.00 176.83 175.99 2q3s h LEU 36 N 0.00 1.07 0.27 5.07 3.38 -1.13 0.98 115.31 124.95 2q3s h LEU 36 Ca -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2q3s h LEU 36 Cb 0.71 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2q3s h LEU 36 CO 0.03 1.07 -0.13 0.40 0.09 0.00 0.00 178.44 179.90 2q3s h ILE 37 N 1.03 0.68 0.31 1.22 1.08 -1.11 0.11 117.51 120.83 2q3s h ILE 37 Ca 0.20 -0.79 -0.00 0.00 -0.39 0.00 0.00 64.86 63.87 2q3s h ILE 37 Cb 0.47 1.05 -0.03 0.00 -3.07 0.00 0.00 36.82 35.25 2q3s h ILE 37 CO 0.02 0.14 -0.46 -0.09 -0.69 0.00 0.00 178.15 177.07 2q3s h ARG 38 N -0.84 -0.78 -0.53 2.37 2.43 -0.39 0.31 114.38 116.96 2q3s h ARG 38 Ca -0.04 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 2q3s h ARG 38 Cb 0.51 0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 30.13 2q3s h ARG 38 CO 0.06 -0.52 -0.33 1.49 -1.51 0.00 0.00 179.97 179.16 2q3s h GLU 39 N -0.81 -0.18 0.00 0.20 4.81 0.94 -2.32 114.58 117.21 2q3s h GLU 39 Ca -0.04 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2q3s h GLU 39 Cb 0.74 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2q3s h GLU 39 CO -0.14 -0.12 0.00 -3.47 -0.73 0.00 0.00 179.01 174.55 2q3s n ASP 40 N -5.43 0.00 -0.17 1.04 4.64 0.02 -1.73 116.55 114.93 2q3s n ASP 40 Ca 0.03 0.78 0.11 0.00 -1.38 0.00 0.00 54.79 54.33 2q3s n ASP 40 Cb 0.35 -0.28 0.21 0.00 -1.04 0.00 0.00 41.12 40.35 2q3s n ASP 40 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 2q3s n SER 41 N -1.36 0.04 0.26 1.67 2.88 0.10 -0.51 113.62 116.69 2q3s n SER 41 Ca 0.00 0.84 -0.10 0.00 -1.33 0.00 0.00 58.87 58.28 2q3s n SER 41 Cb 0.00 -0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 63.06 2q3s n SER 41 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2q3s h ILE 42 N 0.00 0.00 -0.47 2.46 2.04 -1.15 0.83 117.51 121.22 2q3s h ILE 42 Ca 0.35 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2q3s h ILE 42 Cb 0.83 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2q3s h ILE 42 CO -0.44 0.00 0.27 -0.07 0.00 0.00 0.00 178.15 177.91 2q3s h LEU 43 N -0.83 0.57 0.00 1.44 3.38 0.08 -3.37 115.31 116.57 2q3s h LEU 43 Ca -0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2q3s h LEU 43 Cb 0.52 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2q3s h LEU 43 CO 0.11 0.45 -0.25 0.59 0.09 0.00 0.00 178.44 179.44 2q3s n ASN 44 N -4.43 1.23 -1.02 -0.43 3.02 -0.26 -4.83 115.26 108.54 2q3s n ASN 44 Ca 0.04 -0.17 0.09 0.00 -0.03 0.00 0.00 54.58 54.51 2q3s n ASN 44 Cb 0.09 0.58 0.24 0.00 -0.61 0.00 0.00 39.78 40.08 2q3s n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q3s n GLY 45 N 0.95 1.57 3.84 7.41 0.00 0.29 -4.92 105.19 114.32 2q3s n GLY 45 Ca 0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 1.07 -4.93 -1.70 1.61 5.03 -0.94 -2.43 115.26 112.97 2q3s n ASN 46 Ca 0.18 -0.73 -0.19 0.00 0.87 0.00 0.00 54.58 54.72 2q3s n ASN 46 Cb 0.47 -3.94 -0.07 0.00 -1.02 0.00 0.00 39.78 35.22 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 -4.64 -1.48 -4.08 3.52 1.74 -1.03 -4.93 116.66 105.75 2q3s n ARG 47 Ca 0.04 1.08 -0.35 0.00 -0.77 0.00 0.00 57.85 57.84 2q3s n ARG 47 Cb 0.53 -5.48 -0.07 0.00 -1.02 0.00 0.00 32.46 26.42 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 -2.66 3.64 -0.18 7.54 0.00 -1.02 0.42 121.76 129.51 2q3s s ALA 48 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 2q3s s ALA 48 Cb 0.00 -1.73 0.05 0.00 0.00 0.00 0.00 23.12 21.44 2q3s s ALA 48 CO 0.00 0.63 -0.00 0.08 0.00 0.00 0.00 175.76 176.47 2q3s s VAL 49 N -1.04 0.81 0.43 0.00 1.01 0.23 -4.85 120.40 116.99 2q3s s VAL 49 Ca 0.17 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 2q3s s VAL 49 Cb -0.12 -1.17 -0.10 0.00 0.00 0.00 0.00 36.38 34.99 2q3s s VAL 49 CO 0.07 -0.06 0.97 -0.63 0.00 0.00 0.00 175.10 175.44 2q3s s ILE 50 N 1.74 4.24 0.09 2.22 1.09 -0.82 -0.86 121.20 128.90 2q3s s ILE 50 Ca -0.01 1.46 -0.17 0.00 -1.10 0.00 0.00 60.65 60.83 2q3s s ILE 50 Cb -0.16 -3.63 0.04 0.00 -1.06 0.00 0.00 42.46 37.65 2q3s s ILE 50 CO -0.07 -0.24 0.42 0.72 -0.10 0.00 0.00 174.94 175.67 2q3s s PHE 51 N -2.06 -0.25 0.24 3.97 -0.12 0.20 -1.08 117.98 118.89 2q3s s PHE 51 Ca 0.61 0.06 -0.08 0.00 -0.05 0.00 0.00 56.93 57.47 2q3s s PHE 51 Cb -0.12 0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 2q3s s PHE 51 CO 0.16 -0.66 0.38 0.34 -0.05 0.00 0.00 175.22 175.39 2q3s s ASP 52 N -2.46 0.08 0.15 1.98 -1.08 -1.13 -4.40 116.67 109.81 2q3s s ASP 52 Ca -0.01 -1.12 0.03 0.00 -0.52 0.00 0.00 52.55 50.93 2q3s s ASP 52 Cb 0.01 0.54 -0.05 0.00 -1.46 0.00 0.00 42.92 41.96 2q3s s ASP 52 CO -0.08 -1.07 -0.04 0.68 0.52 0.00 0.00 175.17 175.18 2q3s s VAL 53 N -3.96 0.84 -0.04 1.11 -7.23 -1.26 -1.43 120.40 108.43 2q3s s VAL 53 Ca 0.28 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 2q3s s VAL 53 Cb 0.02 -1.96 0.03 0.00 0.56 0.00 0.00 36.38 35.03 2q3s s VAL 53 CO 0.11 -0.64 0.04 -0.31 -0.31 0.00 0.00 175.10 173.99 2q3s s TYR 54 N -3.54 0.19 0.19 2.82 1.51 0.20 -4.96 117.35 113.76 2q3s s TYR 54 Ca 0.19 0.13 0.07 0.00 -1.01 0.00 0.00 57.07 56.44 2q3s s TYR 54 Cb 0.05 -0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 41.38 2q3s s TYR 54 CO 0.01 -0.18 0.07 -1.58 -1.11 0.00 0.00 175.55 172.76 2q3s s TRP 55 N 1.75 2.98 -0.44 2.71 0.52 -1.26 0.83 118.94 126.02 2q3s s TRP 55 Ca 0.00 -0.09 -0.15 0.00 0.02 0.00 0.00 56.10 55.87 2q3s s TRP 55 Cb -0.12 -1.42 0.05 0.00 -1.15 0.00 0.00 33.47 30.82 2q3s s TRP 55 CO -0.03 0.53 0.36 0.34 0.02 0.00 0.00 176.95 178.17 2q3s s ASP 56 N -3.16 6.14 0.22 2.95 3.68 0.26 -4.70 116.67 122.05 2q3s s ASP 56 Ca 0.30 -1.08 -0.31 0.00 2.13 0.00 0.00 52.55 53.58 2q3s s ASP 56 Cb -0.09 -2.18 -0.11 0.00 -1.45 0.00 0.00 42.92 39.09 2q3s s ASP 56 CO 0.21 -0.56 1.62 -0.69 0.13 0.00 0.00 175.17 175.88 2q3s s VAL 57 N 1.72 2.27 0.20 1.11 1.01 -1.26 -1.27 120.40 124.18 2q3s s VAL 57 Ca 0.05 0.20 0.11 0.00 0.00 0.00 0.00 61.98 62.35 2q3s s VAL 57 Cb -0.21 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2q3s s VAL 57 CO 0.09 0.02 -0.24 -0.83 0.00 0.00 0.00 175.10 174.14 2q3s s GLY 58 N 0.95 1.70 -0.54 4.51 0.00 -1.22 -4.85 107.32 107.87 2q3s s GLY 58 Ca 0.70 -1.65 -0.03 0.00 0.00 0.00 0.00 44.72 43.74 2q3s s GLY 58 CO 0.36 -1.68 0.36 -1.36 0.00 0.00 0.00 173.10 170.78 2q3s s PHE 59 N -1.74 3.47 0.00 1.90 2.99 -1.26 -4.66 117.98 118.69 2q3s s PHE 59 Ca 0.21 -2.58 0.00 0.00 0.00 0.00 0.00 56.93 54.56 2q3s s PHE 59 Cb -0.08 -3.22 0.00 0.00 0.00 0.00 0.00 43.02 39.72 2q3s s PHE 59 CO 0.10 -0.89 0.00 0.25 -0.00 0.00 0.00 175.22 174.68 2q3s n THR 66 N 3.93 0.00 0.36 0.64 -2.24 -1.26 -4.16 114.28 111.55 2q3s n THR 66 Ca 0.04 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.85 2q3s n THR 66 Cb 0.39 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.10 0.00 -0.78 4.01 -1.26 -2.56 118.16 117.68 2q3s n LYS 67 Ca 0.00 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 58.02 2q3s n LYS 67 Cb 0.00 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 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 -1.29 0.78 0.28 -0.18 -2.24 -1.26 -4.83 114.28 105.54 2q3s n THR 68 Ca 0.04 -0.79 0.13 0.00 -2.27 0.00 0.00 64.05 61.16 2q3s n THR 68 Cb 0.06 0.61 0.80 0.00 -2.10 0.00 0.00 70.33 69.70 2q3s n THR 68 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2q3s h SER 69 N 0.00 0.00 0.00 3.42 4.64 -1.82 -1.54 113.55 118.25 2q3s h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2q3s h SER 69 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2q3s h SER 69 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 2q3s n GLY 70 N -1.16 -0.90 3.70 -0.77 0.00 -1.26 -4.75 105.19 100.06 2q3s n GLY 70 Ca -0.03 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2q3s n GLY 70 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2q3s s TRP 71 N -2.00 3.49 0.13 1.61 0.52 -0.58 -3.45 118.94 118.66 2q3s s TRP 71 Ca 0.19 0.97 0.05 0.00 0.02 0.00 0.00 56.10 57.33 2q3s s TRP 71 Cb 0.09 -2.67 -0.04 0.00 -1.15 0.00 0.00 33.47 29.70 2q3s s TRP 71 CO 0.15 0.06 0.08 -1.12 0.02 0.00 0.00 176.95 176.13 2q3s s SER 72 N 0.82 5.33 -0.31 2.95 0.01 -0.39 -4.93 113.70 117.18 2q3s s SER 72 Ca 0.29 -0.15 -0.21 0.00 1.31 0.00 0.00 55.95 57.20 2q3s s SER 72 Cb -0.16 -1.35 -0.01 0.00 0.21 0.00 0.00 66.02 64.72 2q3s s SER 72 CO 0.12 0.12 0.64 -0.22 0.41 0.00 0.00 173.24 174.31 2q3s s LEU 73 N -2.76 4.15 -0.04 2.44 2.96 -1.26 0.90 118.68 125.07 2q3s s LEU 73 Ca 0.29 0.44 0.10 0.00 -0.22 0.00 0.00 54.13 54.74 2q3s s LEU 73 Cb -0.11 -2.84 -0.23 0.00 0.50 0.00 0.00 46.19 43.51 2q3s s LEU 73 CO 0.21 -0.50 0.68 -1.28 -1.32 0.00 0.00 176.35 174.14 2q3s h SER 74 N 8.19 0.05 -4.35 3.68 0.87 0.14 -3.44 113.55 118.69 2q3s h SER 74 Ca -0.26 -0.10 0.19 0.00 -1.23 0.00 0.00 61.79 60.38 2q3s h SER 74 Cb 1.12 -0.02 -0.18 0.00 -0.44 0.00 0.00 62.40 62.88 2q3s h SER 74 CO 0.81 1.09 0.68 -0.94 -0.53 0.00 0.00 176.83 177.93 2q3s s SER 75 N -6.23 -0.24 0.10 6.23 1.04 0.09 -1.34 113.70 113.35 2q3s s SER 75 Ca -0.06 0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.45 2q3s s SER 75 Cb 0.08 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 2q3s s SER 75 CO 0.82 -0.38 -0.13 0.68 0.98 0.00 0.00 173.24 175.21 2q3s s VAL 76 N -2.54 1.17 -0.10 5.02 -7.23 -1.12 0.59 120.40 116.19 2q3s s VAL 76 Ca 0.07 -1.55 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2q3s s VAL 76 Cb -0.01 -1.33 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 2q3s s VAL 76 CO -0.06 -0.38 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.49 2q3s s LYS 77 N -2.37 3.06 -0.22 4.82 2.20 -0.51 -2.91 119.74 123.81 2q3s s LYS 77 Ca 0.04 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.02 2q3s s LYS 77 Cb -0.06 -2.60 0.05 0.00 -1.51 0.00 0.00 37.83 33.72 2q3s s LYS 77 CO 0.02 0.42 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.86 2q3s s LEU 78 N -0.17 2.34 -0.11 5.43 1.43 -1.09 -2.86 118.68 123.65 2q3s s LEU 78 Ca 0.01 -1.04 0.02 0.00 -1.03 0.00 0.00 54.13 52.08 2q3s s LEU 78 Cb -0.13 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 2q3s s LEU 78 CO 0.03 -0.21 -0.18 -0.44 0.23 0.00 0.00 176.35 175.78 2q3s s SER 79 N 1.44 3.62 0.38 2.29 0.01 -0.24 -2.52 113.70 118.68 2q3s s SER 79 Ca -0.04 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.82 2q3s s SER 79 Cb -0.18 -1.48 0.02 0.00 0.21 0.00 0.00 66.02 64.60 2q3s s SER 79 CO -0.07 0.17 0.19 0.35 0.41 0.00 0.00 173.24 174.29 2q3s n THR 80 N 3.46 0.00 -0.05 1.44 -2.24 -0.62 -1.93 114.28 114.33 2q3s n THR 80 Ca -0.18 -1.60 -0.04 0.00 -2.27 0.00 0.00 64.05 59.96 2q3s n THR 80 Cb 0.53 0.01 0.19 0.00 -2.10 0.00 0.00 70.33 68.96 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 0.65 0.00 -0.78 2.43 -1.92 -3.25 114.38 111.51 2q3s h ARG 81 Ca -0.26 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2q3s h ARG 81 Cb 0.90 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2q3s h ARG 81 CO 0.42 0.74 -1.05 -0.91 -1.51 0.00 0.00 179.97 177.67 2q3s h ASN 82 N 0.60 0.00 -4.87 -3.80 2.35 -1.95 -3.47 115.58 104.44 2q3s h ASN 82 Ca 0.11 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.64 2q3s h ASN 82 Cb 0.52 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 38.69 2q3s h ASN 82 CO 0.03 0.07 -0.71 -0.76 -1.65 0.00 0.00 177.43 174.41 2q3s s LEU 83 N -5.42 2.30 -0.21 1.61 1.43 -1.23 -2.14 118.68 115.01 2q3s s LEU 83 Ca -0.01 -0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 52.45 2q3s s LEU 83 Cb 0.09 -0.03 0.07 0.00 0.03 0.00 0.00 46.19 46.35 2q3s s LEU 83 CO 0.79 -0.30 0.05 0.00 0.23 0.00 0.00 176.35 177.12 2q3s s LEU 85 N 1.85 4.15 -0.35 0.00 2.96 -1.05 -0.42 118.68 125.82 2q3s s LEU 85 Ca 0.01 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 54.05 2q3s s LEU 85 Cb -0.17 -2.11 0.07 0.00 0.50 0.00 0.00 46.19 44.48 2q3s s LEU 85 CO -0.11 0.10 0.11 0.12 -1.32 0.00 0.00 176.35 175.25 2q3s s PHE 86 N 0.84 3.41 -0.28 5.38 2.19 0.30 -2.66 117.98 127.16 2q3s s PHE 86 Ca 0.08 -2.04 -0.15 0.00 0.33 0.00 0.00 56.93 55.15 2q3s s PHE 86 Cb -0.13 -2.63 -0.03 0.00 -1.31 0.00 0.00 43.02 38.92 2q3s s PHE 86 CO 0.03 -0.87 0.40 -0.51 1.83 0.00 0.00 175.22 176.10 2q3s s LEU 87 N 1.23 4.09 -0.32 6.12 1.43 -1.15 -1.38 118.68 128.71 2q3s s LEU 87 Ca 0.01 0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 53.30 2q3s s LEU 87 Cb -0.21 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.58 2q3s s LEU 87 CO -0.02 -0.23 0.10 -0.13 0.23 0.00 0.00 176.35 176.30 2q3s s ARG 88 N 2.12 2.85 0.50 1.70 0.52 -0.52 -2.78 118.95 123.34 2q3s s ARG 88 Ca 0.16 -1.02 -0.18 0.00 -0.52 0.00 0.00 55.73 54.16 2q3s s ARG 88 Cb -0.16 -3.44 -0.08 0.00 0.52 0.00 0.00 34.95 31.80 2q3s s ARG 88 CO 0.10 -0.57 1.00 -0.51 0.02 0.00 0.00 175.30 175.35 2q3s s LEU 89 N 1.46 3.72 0.57 2.53 1.43 -0.45 -1.21 118.68 126.72 2q3s s LEU 89 Ca 0.01 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 54.82 2q3s s LEU 89 Cb -0.18 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.55 2q3s s LEU 89 CO 0.03 -0.67 0.80 -2.16 0.23 0.00 0.00 176.35 174.58 2q3s s PRO 90 N -3.70 2.45 0.00 1.29 0.04 -1.20 -4.87 135.00 129.00 2q3s s PRO 90 Ca 0.62 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.85 2q3s s PRO 90 Cb -0.12 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2q3s s PRO 90 CO 0.26 -0.80 0.23 1.17 0.04 0.00 0.00 177.00 177.90 2q3s n LYS 91 N -2.41 0.00 -2.10 4.56 3.00 -1.26 -4.42 118.16 115.53 2q3s n LYS 91 Ca 0.09 0.39 -0.42 0.00 -0.00 0.00 0.00 58.31 58.37 2q3s n LYS 91 Cb 0.60 -1.02 -0.03 0.00 0.00 0.00 0.00 35.03 34.58 2q3s n LYS 91 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2q3s s PRO 92 N -1.24 4.24 0.22 1.64 0.04 -1.26 -4.93 135.00 133.72 2q3s s PRO 92 Ca 0.00 2.12 -0.24 0.00 0.04 0.00 0.00 61.00 62.92 2q3s s PRO 92 Cb 0.00 -3.59 -0.09 0.00 0.04 0.00 0.00 34.50 30.86 2q3s s PRO 92 CO 0.00 -0.65 0.81 -0.06 0.04 0.00 0.00 177.00 177.14 2q3s s PHE 93 N 2.53 3.78 0.53 0.56 0.08 -1.26 -4.89 117.98 119.31 2q3s s PHE 93 Ca 0.68 1.60 0.01 0.00 0.12 0.00 0.00 56.93 59.35 2q3s s PHE 93 Cb -0.35 -2.76 0.01 0.00 -0.57 0.00 0.00 43.02 39.34 2q3s s PHE 93 CO 0.29 0.39 0.08 -1.01 -0.10 0.00 0.00 175.22 174.86 2q3s s HIS 94 N -1.38 1.72 0.43 0.36 3.76 -1.26 -4.99 115.29 113.94 2q3s s HIS 94 Ca 0.42 -0.97 0.21 0.00 -0.15 0.00 0.00 55.06 54.56 2q3s s HIS 94 Cb -0.20 -1.64 1.18 0.00 1.11 0.00 0.00 32.58 33.02 2q3s s HIS 94 CO 0.24 0.07 1.81 -0.44 -0.85 0.00 0.00 174.74 175.57 2q3s h ASP 95 N 1.18 0.34 -0.57 1.40 3.32 -1.98 0.17 116.42 120.29 2q3s h ASP 95 Ca -0.43 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 2q3s h ASP 95 Cb 1.32 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.84 2q3s h ASP 95 CO 0.70 0.10 0.33 -0.55 -1.72 0.00 0.00 179.24 178.10 2q3s h ASN 96 N 0.32 0.69 0.30 6.45 -1.07 -1.90 -0.64 115.58 119.73 2q3s h ASN 96 Ca 0.53 -0.07 0.00 0.00 0.07 0.00 0.00 56.30 56.83 2q3s h ASN 96 Cb 1.49 -0.18 0.00 0.00 -2.07 0.00 0.00 38.32 37.57 2q3s h ASN 96 CO -0.20 0.56 0.00 0.18 0.07 0.00 0.00 177.43 178.05 2q3s n LEU 97 N -4.63 0.14 0.31 6.14 4.77 0.58 -0.77 117.00 123.54 2q3s n LEU 97 Ca 0.03 0.55 0.20 0.00 -0.03 0.00 0.00 56.01 56.76 2q3s n LEU 97 Cb 0.07 -0.54 0.97 0.00 -2.33 0.00 0.00 43.42 41.58 2q3s n LEU 97 CO 0.36 -0.44 1.09 0.11 -1.33 0.00 0.00 177.39 177.18 2q3s h LYS 98 N 0.00 0.00 -0.73 3.23 1.57 -1.04 0.14 116.57 119.74 2q3s h LYS 98 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2q3s h LYS 98 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2q3s h LYS 98 CO 0.00 0.00 0.48 -0.44 -0.57 0.00 0.00 179.45 178.92 2q3s h ASP 99 N 0.00 0.84 -0.51 0.86 3.32 -1.06 -1.70 116.42 118.18 2q3s h ASP 99 Ca -0.00 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 2q3s h ASP 99 Cb 0.24 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2q3s h ASP 99 CO 0.00 0.62 0.02 0.25 -1.72 0.00 0.00 179.24 178.41 2q3s h LEU 100 N 0.99 0.90 -0.53 1.55 5.85 -0.90 -2.11 115.31 121.06 2q3s h LEU 100 Ca 0.27 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2q3s h LEU 100 Cb -0.10 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.65 2q3s h LEU 100 CO -0.06 0.94 0.32 1.88 -0.34 0.00 0.00 178.44 181.19 2q3s h TYR 101 N 0.86 0.61 -0.16 1.25 -1.99 -1.32 -1.13 116.97 115.10 2q3s h TYR 101 Ca 0.16 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.83 2q3s h TYR 101 Cb 0.48 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 2q3s h TYR 101 CO 0.03 0.35 -0.28 0.00 -0.00 0.00 0.00 178.16 178.27 2q3s h ARG 102 N 0.65 0.29 -0.28 4.88 3.08 -1.18 -1.47 114.38 120.33 2q3s h ARG 102 Ca 0.21 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2q3s h ARG 102 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2q3s h ARG 102 CO -0.08 0.55 0.08 0.35 -1.07 0.00 0.00 179.97 179.80 2q3s h PHE 103 N 0.26 0.47 0.00 3.04 3.57 -0.60 -2.40 116.94 121.27 2q3s h PHE 103 Ca 0.04 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2q3s h PHE 103 Cb 0.63 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2q3s h PHE 103 CO 0.01 0.50 0.00 1.19 -2.23 0.00 0.00 178.31 177.79 2q3s n PHE 104 N -4.70 0.74 1.84 0.41 0.99 -0.53 -3.08 117.46 113.14 2q3s n PHE 104 Ca -0.02 0.26 0.05 0.00 -0.00 0.00 0.00 57.45 57.73 2q3s n PHE 104 Cb 0.17 -0.92 0.26 0.00 -1.00 0.00 0.00 39.48 38.00 2q3s n PHE 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2q3s n ALA 105 N -1.74 2.54 -2.36 4.37 0.00 -0.58 -4.40 120.51 118.34 2q3s n ALA 105 Ca 0.04 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.04 2q3s n ALA 105 Cb 0.30 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.28 6.51 -0.36 0.00 0.15 -1.18 -4.89 113.70 112.65 2q3s s SER 106 Ca 0.16 0.92 0.06 0.00 0.70 0.00 0.00 55.95 57.79 2q3s s SER 106 Cb 0.08 -2.23 0.46 0.00 -1.71 0.00 0.00 66.02 62.62 2q3s s SER 106 CO 0.12 -0.26 1.41 0.29 1.20 0.00 0.00 173.24 176.01 2q3s n LYS 107 N -0.95 2.98 -0.00 5.44 5.02 -1.26 -4.48 118.16 124.91 2q3s n LYS 107 Ca 0.00 -3.76 0.07 0.00 -2.02 0.00 0.00 58.31 52.60 2q3s n LYS 107 Cb 0.54 -2.16 -0.10 0.00 -0.02 0.00 0.00 35.03 33.29 2q3s n LYS 107 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2q3s n PHE 108 N -0.85 0.00 -3.86 2.13 3.72 -1.26 -5.00 117.46 112.33 2q3s n PHE 108 Ca 0.44 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.74 2q3s n PHE 108 Cb 0.90 -0.22 -0.09 0.00 -0.94 0.00 0.00 39.48 39.13 2q3s n PHE 108 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2q3s s VAL 109 N -2.74 0.10 0.01 -4.37 -7.23 -1.26 -4.79 120.40 100.11 2q3s s VAL 109 Ca -0.02 -0.80 -0.16 0.00 -1.81 0.00 0.00 61.98 59.19 2q3s s VAL 109 Cb 0.09 -0.68 -0.06 0.00 0.56 0.00 0.00 36.38 36.30 2q3s s VAL 109 CO 0.56 -0.44 0.46 -0.89 -0.31 0.00 0.00 175.10 174.47 2q3s s THR 110 N -1.95 4.96 -0.46 5.32 2.01 0.17 -4.89 115.64 120.80 2q3s s THR 110 Ca -0.10 0.95 -0.18 0.00 0.31 0.00 0.00 61.69 62.67 2q3s s THR 110 Cb -0.04 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.74 2q3s s THR 110 CO -0.01 0.55 0.51 -0.36 -0.69 0.00 0.00 174.62 174.62 2q3s s PHE 111 N -0.93 3.13 -0.35 4.92 0.08 -0.48 0.77 117.98 125.12 2q3s s PHE 111 Ca 0.25 -0.50 -0.22 0.00 0.12 0.00 0.00 56.93 56.58 2q3s s PHE 111 Cb -0.17 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.08 2q3s s PHE 111 CO 0.15 -0.85 0.73 0.08 -0.10 0.00 0.00 175.22 175.22 2q3s s VAL 112 N 2.28 4.81 0.12 -0.44 1.01 -0.04 -2.96 120.40 125.18 2q3s s VAL 112 Ca 0.13 0.85 0.04 0.00 0.00 0.00 0.00 61.98 62.99 2q3s s VAL 112 Cb -0.19 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2q3s s VAL 112 CO 0.12 -0.34 -0.10 -0.83 0.00 0.00 0.00 175.10 173.95 2q3s s GLY 113 N 1.77 0.95 -0.24 4.51 0.00 -0.64 -0.63 107.32 113.05 2q3s s GLY 113 Ca 0.29 -1.36 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 2q3s s GLY 113 CO 0.15 -1.45 -0.02 0.14 0.00 0.00 0.00 173.10 171.93 2q3s s VAL 114 N -2.98 3.49 -1.08 1.40 1.01 -1.26 0.27 120.40 121.25 2q3s s VAL 114 Ca 0.12 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 2q3s s VAL 114 Cb 0.00 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 2q3s s VAL 114 CO -0.00 0.34 0.79 0.00 0.00 0.00 0.00 175.10 176.23 2q3s n GLN 115 N 4.80 -1.35 -0.27 2.72 1.13 -1.26 -4.90 117.38 118.26 2q3s n GLN 115 Ca -0.17 0.59 0.07 0.00 -1.94 0.00 0.00 57.00 55.55 2q3s n GLN 115 Cb 0.50 -4.32 0.21 0.00 0.11 0.00 0.00 30.24 26.74 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 -3.82 1.14 0.37 5.09 -5.35 -1.26 -4.65 119.36 110.88 2q3s n ILE 116 Ca -0.09 -1.07 -0.18 0.00 -0.27 0.00 0.00 62.75 61.14 2q3s n ILE 116 Cb 0.59 0.43 -0.09 0.00 -1.74 0.00 0.00 39.64 38.83 2q3s n ILE 116 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2q3s h GLU 117 N 2.66 -0.87 -0.23 6.28 4.81 -1.99 0.17 114.58 125.42 2q3s h GLU 117 Ca 0.00 0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2q3s h GLU 117 Cb 0.88 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2q3s h GLU 117 CO 0.03 -0.58 0.13 0.93 -0.73 0.00 0.00 179.01 178.79 2q3s h GLU 118 N -0.90 0.32 -0.80 1.92 4.39 -2.02 -2.28 114.58 115.21 2q3s h GLU 118 Ca -0.09 -0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.76 2q3s h GLU 118 Cb 0.69 -0.06 -0.13 0.00 -0.10 0.00 0.00 28.75 29.15 2q3s h GLU 118 CO 0.15 0.29 0.12 -0.44 -1.16 0.00 0.00 179.01 177.97 2q3s h ASP 119 N 0.26 -0.16 -0.34 1.42 3.32 -1.75 -2.15 116.42 117.02 2q3s h ASP 119 Ca 0.08 0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.33 2q3s h ASP 119 Cb 0.06 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2q3s h ASP 119 CO -0.01 -0.15 0.20 -0.07 -1.72 0.00 0.00 179.24 177.48 2q3s h LEU 120 N 0.17 0.32 -1.26 1.55 3.38 -0.06 0.25 115.31 119.65 2q3s h LEU 120 Ca 0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.40 2q3s h LEU 120 Cb 0.87 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2q3s h LEU 120 CO -0.64 0.23 0.07 0.44 0.09 0.00 0.00 178.44 178.63 2q3s h ASP 121 N 0.40 0.53 0.09 -0.43 3.32 -1.32 -0.91 116.42 118.11 2q3s h ASP 121 Ca 0.13 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2q3s h ASP 121 Cb 0.01 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2q3s h ASP 121 CO -0.06 0.55 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.89 2q3s h LEU 122 N 0.56 -0.11 -0.65 1.55 3.38 -0.85 0.18 115.31 119.37 2q3s h LEU 122 Ca 0.13 -0.42 0.14 0.00 0.09 0.00 0.00 57.88 57.81 2q3s h LEU 122 Cb 0.25 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.92 2q3s h LEU 122 CO 0.00 0.40 0.04 -0.07 0.09 0.00 0.00 178.44 178.90 2q3s h LEU 123 N -0.65 -0.22 0.52 1.67 3.38 -0.37 0.11 115.31 119.76 2q3s h LEU 123 Ca -0.01 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2q3s h LEU 123 Cb 0.52 0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.54 2q3s h LEU 123 CO 0.02 -0.10 -0.25 -0.09 0.09 0.00 0.00 178.44 178.11 2q3s h ARG 124 N 0.15 -0.67 -0.04 1.13 2.43 -0.86 -2.09 114.38 114.43 2q3s h ARG 124 Ca 0.35 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.53 2q3s h ARG 124 Cb 0.57 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2q3s h ARG 124 CO -0.54 -0.45 -0.13 0.93 -1.51 0.00 0.00 179.97 178.28 2q3s h GLU 125 N -1.02 0.06 0.00 0.20 5.08 -0.57 -1.64 114.58 116.69 2q3s h GLU 125 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2q3s h GLU 125 Cb 0.53 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2q3s h GLU 125 CO 0.12 0.20 -1.21 0.09 -1.00 0.00 0.00 179.01 177.20 2q3s n ASN 126 N -4.35 0.71 0.00 1.42 4.13 0.38 -4.66 115.26 112.89 2q3s n ASN 126 Ca -0.02 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 55.58 2q3s n ASN 126 Cb 0.22 1.18 0.00 0.00 -1.54 0.00 0.00 39.78 39.64 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 -1.72 0.00 -1.24 3.10 8.25 -0.81 -5.01 115.22 117.79 2q3s n HIS 127 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.40 2q3s n HIS 127 Cb 0.40 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.47 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 0.00 0.99 3.64 -1.41 0.00 -0.62 -4.98 105.19 102.81 2q3s n GLY 128 Ca 0.00 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.91 4.10 -0.13 0.99 0.20 -1.05 -4.97 118.68 115.90 2q3s s LEU 129 Ca 0.00 0.41 0.00 0.00 0.69 0.00 0.00 54.13 55.23 2q3s s LEU 129 Cb 0.00 -2.47 -0.01 0.00 -0.43 0.00 0.00 46.19 43.28 2q3s s LEU 129 CO 0.00 -0.12 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.10 2q3s s VAL 130 N 1.65 2.83 0.12 1.68 1.01 -1.26 -2.51 120.40 123.92 2q3s s VAL 130 Ca 0.17 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2q3s s VAL 130 Cb -0.15 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2q3s s VAL 130 CO 0.08 0.53 0.22 -0.63 0.00 0.00 0.00 175.10 175.30 2q3s s ILE 131 N 0.46 5.17 0.00 2.22 1.01 -1.26 -4.28 121.20 124.52 2q3s s ILE 131 Ca -0.11 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2q3s s ILE 131 Cb -0.16 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.71 2q3s s ILE 131 CO 0.05 -0.00 0.00 0.54 0.00 0.00 0.00 174.94 175.53 2q3s n ARG 132 N -0.16 3.09 -3.43 2.79 1.74 -1.26 -4.93 116.66 114.51 2q3s n ARG 132 Ca -0.07 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.75 2q3s n ARG 132 Cb 0.53 -0.36 -0.09 0.00 -1.02 0.00 0.00 32.46 31.52 2q3s n ARG 132 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2q3s n ASN 133 N -0.48 1.08 -3.93 0.55 4.05 -1.26 -5.09 115.26 110.18 2q3s n ASN 133 Ca 0.00 -2.81 -0.23 0.00 0.45 0.00 0.00 54.58 52.00 2q3s n ASN 133 Cb 0.00 -0.64 -0.04 0.00 1.23 0.00 0.00 39.78 40.33 2q3s n ASN 133 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2q3s n ALA 134 N 1.89 0.35 0.00 5.20 0.00 -1.26 -1.39 120.51 125.31 2q3s n ALA 134 Ca 0.25 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 52.07 2q3s n ALA 134 Cb 0.46 0.86 0.00 0.00 0.00 0.00 0.00 19.45 20.77 2q3s n ALA 134 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2q3s n ILE 135 N -0.99 0.00 -2.62 0.00 0.13 -1.16 -4.88 119.36 109.85 2q3s n ILE 135 Ca -0.13 0.00 -0.41 0.00 -1.10 0.00 0.00 62.75 61.11 2q3s n ILE 135 Cb 0.46 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.23 2q3s n ILE 135 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 2q3s s ASN 136 N 0.00 6.47 0.58 9.51 3.84 -1.26 -1.62 114.94 132.46 2q3s s ASN 136 Ca 0.00 -1.41 0.30 0.00 0.21 0.00 0.00 52.86 51.96 2q3s s ASN 136 Cb 0.00 -2.54 1.43 0.00 -0.55 0.00 0.00 41.25 39.59 2q3s s ASN 136 CO 0.00 -1.48 1.82 1.62 -2.79 0.00 0.00 177.10 176.27 2q3s h VAL 137 N 6.55 0.36 -0.01 -5.21 3.04 0.35 0.26 116.25 121.59 2q3s h VAL 137 Ca 0.13 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.70 2q3s h VAL 137 Cb 1.02 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 30.80 2q3s h VAL 137 CO 1.36 0.00 -0.53 1.23 -1.01 0.00 0.00 177.57 178.62 2q3s h GLY 138 N 0.00 0.03 0.90 3.17 0.00 -1.85 -2.10 103.07 103.22 2q3s h GLY 138 Ca 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 2q3s h GLY 138 CO -0.00 0.03 -0.28 1.70 0.00 0.00 0.00 176.54 177.99 2q3s h LYS 139 N 0.02 -0.75 -0.31 4.80 3.64 -0.68 0.22 116.57 123.52 2q3s h LYS 139 Ca -0.00 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2q3s h LYS 139 Cb 0.95 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 2q3s h LYS 139 CO 0.07 -0.46 0.19 1.25 -2.27 0.00 0.00 179.45 178.23 2q3s h LEU 140 N -0.89 0.36 -0.37 5.20 5.85 -1.56 -2.50 115.31 121.39 2q3s h LEU 140 Ca -0.08 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 2q3s h LEU 140 Cb 0.64 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2q3s h LEU 140 CO 0.13 0.27 -0.14 0.00 -0.34 0.00 0.00 178.44 178.36 2q3s h ALA 141 N 1.79 0.52 -0.39 1.25 0.00 -1.02 0.13 119.26 121.54 2q3s h ALA 141 Ca 0.11 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2q3s h ALA 141 Cb -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2q3s h ALA 141 CO -0.02 0.43 0.18 0.00 0.00 0.00 0.00 179.25 179.83 2q3s h ALA 142 N 0.81 0.48 0.09 0.00 0.00 -0.52 0.52 119.26 120.64 2q3s h ALA 142 Ca 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2q3s h ALA 142 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2q3s h ALA 142 CO 0.05 -0.19 -0.05 0.93 0.00 0.00 0.00 179.25 179.99 2q3s h GLU 143 N 0.37 -0.12 -0.97 0.00 5.08 -1.36 1.00 114.58 118.58 2q3s h GLU 143 Ca 0.17 0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.77 2q3s h GLU 143 Cb 0.10 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.26 2q3s h GLU 143 CO -0.13 0.36 0.53 0.00 -1.00 0.00 0.00 179.01 178.77 2q3s h ALA 144 N 0.10 1.66 -0.01 3.43 0.00 -0.66 0.13 119.26 123.91 2q3s h ALA 144 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2q3s h ALA 144 Cb 0.54 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2q3s h ALA 144 CO 0.02 -0.26 -0.71 0.54 0.00 0.00 0.00 179.25 178.84 2q3s n ARG 145 N -4.92 0.42 -2.40 0.00 5.12 0.16 -4.95 116.66 110.08 2q3s n ARG 145 Ca 0.25 -0.33 -0.16 0.00 -1.93 0.00 0.00 57.85 55.69 2q3s n ARG 145 Cb 0.69 -1.49 -0.00 0.00 -1.16 0.00 0.00 32.46 30.50 2q3s n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2q3s n GLY 146 N 1.46 -0.25 3.21 -0.13 0.00 0.24 -5.00 105.19 104.71 2q3s n GLY 146 Ca 0.06 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.82 2.67 0.00 2.61 2.01 0.28 -4.97 115.64 115.42 2q3s s THR 147 Ca 0.05 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.28 2q3s s THR 147 Cb -0.02 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.30 2q3s s THR 147 CO 0.06 0.46 0.44 0.18 -0.69 0.00 0.00 174.62 175.07 2q3s n LEU 148 N 4.70 0.00 -0.25 4.42 4.77 -1.26 -3.92 117.00 125.45 2q3s n LEU 148 Ca -0.19 0.44 0.02 0.00 -0.03 0.00 0.00 56.01 56.24 2q3s n LEU 148 Cb 0.50 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.65 2q3s n LEU 148 CO 0.27 0.00 0.42 0.55 -1.33 0.00 0.00 177.39 177.30 2q3s n VAL 149 N -0.54 -0.32 -0.53 4.08 3.14 -1.26 -0.88 118.33 122.03 2q3s n VAL 149 Ca 0.00 1.56 0.43 0.00 -2.96 0.00 0.00 64.34 63.37 2q3s n VAL 149 Cb 0.00 -2.11 0.65 0.00 -1.06 0.00 0.00 33.84 31.32 2q3s n VAL 149 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2q3s n LEU 150 N -5.04 0.00 -0.01 6.55 4.77 -1.25 0.06 117.00 122.07 2q3s n LEU 150 Ca 0.09 0.85 -0.10 0.00 -0.03 0.00 0.00 56.01 56.81 2q3s n LEU 150 Cb 0.30 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 2q3s n LEU 150 CO -0.09 -0.85 0.91 -0.08 -1.33 0.00 0.00 177.39 175.95 2q3s h GLU 151 N 0.00 0.13 -0.97 3.23 4.81 -1.10 -3.16 114.58 117.52 2q3s h GLU 151 Ca 0.75 -0.01 -0.61 0.00 -0.13 0.00 0.00 59.36 59.36 2q3s h GLU 151 Cb 3.25 -0.03 -0.30 0.00 0.63 0.00 0.00 28.75 32.31 2q3s h GLU 151 CO -0.01 0.09 0.70 1.19 -0.73 0.00 0.00 179.01 180.25 2q3s n PHE 152 N -5.03 3.10 -4.09 0.92 3.72 0.11 -4.33 117.46 111.85 2q3s n PHE 152 Ca -0.04 -2.63 -0.35 0.00 -0.05 0.00 0.00 57.45 54.38 2q3s n PHE 152 Cb 0.04 -1.23 -0.07 0.00 -0.94 0.00 0.00 39.48 37.28 2q3s n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2q3s s LEU 153 N -3.66 4.01 1.20 4.37 1.43 -1.19 -5.10 118.68 119.74 2q3s s LEU 153 Ca 0.61 0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.83 2q3s s LEU 153 Cb 0.49 -2.09 0.29 0.00 0.03 0.00 0.00 46.19 44.91 2q3s s LEU 153 CO 0.02 0.35 1.03 -0.83 0.23 0.00 0.00 176.35 177.15 2q3s s GLY 154 N -1.25 1.52 0.20 -3.19 0.00 -1.26 -4.68 107.32 98.67 2q3s s GLY 154 Ca 0.18 -0.48 -0.11 0.00 0.00 0.00 0.00 44.72 44.31 2q3s s GLY 154 CO 0.07 0.32 1.71 -0.84 0.00 0.00 0.00 173.10 174.36 2q3s h THR 155 N -2.68 0.66 0.13 0.90 2.02 -2.00 -2.36 112.91 109.59 2q3s h THR 155 Ca -0.54 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 2q3s h THR 155 Cb 1.33 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2q3s h THR 155 CO 0.45 0.05 -0.06 -0.09 0.37 0.00 0.00 175.52 176.23 2q3s h ARG 156 N 0.26 -0.17 -0.93 6.66 1.12 -1.98 -3.08 114.38 116.26 2q3s h ARG 156 Ca 0.30 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 59.28 2q3s h ARG 156 Cb 0.43 0.04 -0.07 0.00 -0.01 0.00 0.00 29.97 30.36 2q3s h ARG 156 CO -0.38 0.26 0.60 1.49 -3.11 0.00 0.00 179.97 178.83 2q3s h GLU 157 N -0.69 0.93 0.32 0.20 4.57 -1.90 0.79 114.58 118.80 2q3s h GLU 157 Ca -0.02 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2q3s h GLU 157 Cb 0.51 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2q3s h GLU 157 CO 0.03 0.62 -0.29 1.25 -1.18 0.00 0.00 179.01 179.44 2q3s h LEU 158 N 0.96 -0.77 -0.59 1.64 5.85 -1.49 0.48 115.31 121.40 2q3s h LEU 158 Ca 0.43 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.31 2q3s h LEU 158 Cb 0.38 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 2q3s h LEU 158 CO -0.19 -0.42 0.19 0.00 -0.34 0.00 0.00 178.44 177.68 2q3s h ALA 159 N -0.06 0.74 0.18 1.25 0.00 -0.99 0.67 119.26 121.06 2q3s h ALA 159 Ca -0.02 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2q3s h ALA 159 Cb 0.56 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2q3s h ALA 159 CO -0.04 -0.23 -0.31 1.25 0.00 0.00 0.00 179.25 179.92 2q3s h HIS 160 N 0.36 -0.85 0.00 0.00 -0.00 0.12 0.80 115.15 115.58 2q3s h HIS 160 Ca 0.30 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.69 2q3s h HIS 160 Cb 0.39 0.35 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 2q3s h HIS 160 CO -0.19 -0.43 0.00 0.54 -0.00 0.00 0.00 177.93 177.85 2q3s n ARG 161 N -5.42 0.10 -0.04 5.26 5.12 0.16 -0.86 116.66 120.98 2q3s n ARG 161 Ca -0.07 0.19 -0.03 0.00 -1.93 0.00 0.00 57.85 56.01 2q3s n ARG 161 Cb 0.33 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.04 2q3s n ARG 161 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2q3s n VAL 162 N -1.40 0.57 -0.01 1.55 0.31 0.18 -4.86 118.33 114.67 2q3s n VAL 162 Ca 0.05 -0.41 -0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2q3s n VAL 162 Cb 0.15 -0.52 -0.02 0.00 -0.91 0.00 0.00 33.84 32.54 2q3s n VAL 162 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2q3s n LEU 163 N -2.29 0.00 -2.24 7.52 4.77 0.27 -5.01 117.00 120.02 2q3s n LEU 163 Ca -0.14 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.73 2q3s n LEU 163 Cb 0.73 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.84 2q3s n LEU 163 CO 0.23 0.03 -0.13 0.79 -1.33 0.00 0.00 177.39 176.98 2q3s n TRP 164 N -1.85 -1.32 -2.56 -1.77 7.02 -0.04 -4.93 117.44 111.98 2q3s n TRP 164 Ca -0.02 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.19 2q3s n TRP 164 Cb 0.34 -2.45 0.01 0.00 -2.42 0.00 0.00 31.31 26.78 2q3s n TRP 164 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2q3s s SER 165 N -2.00 6.08 0.02 -0.99 1.04 -1.26 -4.99 113.70 111.60 2q3s s SER 165 Ca 0.00 0.87 -0.30 0.00 0.48 0.00 0.00 55.95 56.99 2q3s s SER 165 Cb 0.00 -2.09 -0.06 0.00 0.10 0.00 0.00 66.02 63.96 2q3s s SER 165 CO 0.00 -0.71 1.49 -0.62 0.98 0.00 0.00 173.24 174.37 2q3s s ASP 166 N -4.16 6.77 -0.09 7.02 2.15 -1.26 -4.85 116.67 122.25 2q3s s ASP 166 Ca 0.49 2.24 0.12 0.00 0.43 0.00 0.00 52.55 55.84 2q3s s ASP 166 Cb -0.10 -2.56 0.21 0.00 -0.30 0.00 0.00 42.92 40.17 2q3s s ASP 166 CO 0.45 -0.78 1.12 0.18 -0.17 0.00 0.00 175.17 175.98 2q3s n LEU 167 N 5.44 2.36 0.00 -1.34 4.77 -1.26 -4.82 117.00 122.15 2q3s n LEU 167 Ca 0.14 -2.69 -0.15 0.00 -0.03 0.00 0.00 56.01 53.28 2q3s n LEU 167 Cb 0.43 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 2q3s n LEU 167 CO 0.60 0.64 0.51 1.23 -1.33 0.00 0.00 177.39 179.04 2q3s h GLY 168 N 0.20 -1.10 0.76 -0.72 0.00 -2.00 -0.80 103.07 99.41 2q3s h GLY 168 Ca 0.00 0.68 0.05 0.00 0.00 0.00 0.00 47.33 48.06 2q3s h GLY 168 CO 0.02 -0.20 0.50 -1.61 0.00 0.00 0.00 176.54 175.25 2q3s h GLN 169 N -0.60 0.91 0.70 4.80 5.75 -1.99 -1.68 115.11 123.01 2q3s h GLN 169 Ca 0.03 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 2q3s h GLN 169 Cb 0.69 -0.20 0.01 0.00 1.07 0.00 0.00 27.48 29.04 2q3s h GLN 169 CO -0.43 0.60 -0.34 1.25 -2.65 0.00 0.00 178.83 177.27 2q3s h LEU 170 N 0.93 -0.80 -0.57 -2.39 5.85 -1.74 -1.70 115.31 114.90 2q3s h LEU 170 Ca 0.35 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.19 2q3s h LEU 170 Cb 0.12 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.27 2q3s h LEU 170 CO -0.15 -0.52 0.01 0.44 -0.34 0.00 0.00 178.44 177.88 2q3s h ASP 171 N -1.03 -0.22 0.13 1.25 5.19 -1.03 0.16 116.42 120.87 2q3s h ASP 171 Ca -0.10 0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 2q3s h ASP 171 Cb 0.75 0.24 -0.00 0.00 0.18 0.00 0.00 39.33 40.49 2q3s h ASP 171 CO 0.16 -0.09 -0.12 -1.28 -3.12 0.00 0.00 179.24 174.80 2q3s h SER 172 N 0.13 0.00 0.00 6.45 0.87 -1.14 0.55 113.55 120.40 2q3s h SER 172 Ca 0.30 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2q3s h SER 172 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2q3s h SER 172 CO -0.47 0.12 -0.00 0.40 -0.53 0.00 0.00 176.83 176.34 2q3s h ILE 173 N 0.00 1.70 0.00 2.23 2.04 -0.07 -3.35 117.51 120.07 2q3s h ILE 173 Ca -0.00 -2.12 -0.05 0.00 1.00 0.00 0.00 64.86 63.69 2q3s h ILE 173 Cb 0.21 3.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 2q3s h ILE 173 CO 0.02 0.55 -0.23 -0.33 0.00 0.00 0.00 178.15 178.15 2q3s h GLU 174 N -0.91 0.00 0.00 2.37 5.08 -0.83 -2.37 114.58 117.91 2q3s h GLU 174 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2q3s h GLU 174 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 2q3s h GLU 174 CO 0.00 0.23 -0.05 0.00 -1.00 0.00 0.00 179.01 178.19 2q3s h ALA 175 N 1.77 1.86 -0.88 3.43 0.00 -1.02 -2.35 119.26 122.07 2q3s h ALA 175 Ca -0.00 -0.05 -0.56 0.00 0.00 0.00 0.00 54.91 54.30 2q3s h ALA 175 Cb 0.42 -0.01 -0.43 0.00 0.00 0.00 0.00 17.79 17.78 2q3s h ALA 175 CO 0.03 0.07 -0.79 0.36 0.00 0.00 0.00 179.25 178.92 2q3s n LYS 176 N -4.40 3.58 -0.22 0.00 2.85 -0.91 -4.92 118.16 114.14 2q3s n LYS 176 Ca -0.03 -4.22 -0.02 0.00 -1.05 0.00 0.00 58.31 52.99 2q3s n LYS 176 Cb 0.14 -2.28 0.04 0.00 -0.65 0.00 0.00 35.03 32.28 2q3s n LYS 176 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 177.40 179.70 2q3s h TRP 177 N 2.24 -0.65 0.00 5.58 2.91 -1.25 -2.27 115.95 122.52 2q3s h TRP 177 Ca 0.36 0.07 -0.02 0.00 1.13 0.00 0.00 58.89 60.43 2q3s h TRP 177 Cb 1.43 0.38 -0.00 0.00 -0.51 0.00 0.00 29.16 30.46 2q3s h TRP 177 CO 0.85 -0.34 -0.11 1.05 -1.03 0.00 0.00 178.44 178.86 2q3s h GLU 178 N -0.08 0.00 0.00 2.65 9.09 -1.90 -2.14 114.58 122.19 2q3s h GLU 178 Ca 0.29 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.47 2q3s h GLU 178 Cb 0.53 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.60 2q3s h GLU 178 CO -0.70 0.11 -1.21 0.87 0.05 0.00 0.00 179.01 178.12 2q3s h LYS 179 N 0.00 0.00 -6.48 1.06 1.57 -1.85 -3.45 116.57 107.42 2q3s h LYS 179 Ca -0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2q3s h LYS 179 Cb 0.20 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.58 2q3s h LYS 179 CO 0.01 0.79 0.58 0.00 -0.57 0.00 0.00 179.45 180.26 2q3s n ALA 180 N -2.41 0.56 -1.92 3.86 0.00 -0.81 -4.96 120.51 114.83 2q3s n ALA 180 Ca -0.06 0.44 -0.27 0.00 0.00 0.00 0.00 53.44 53.56 2q3s n ALA 180 Cb 0.96 -2.22 0.08 0.00 0.00 0.00 0.00 19.45 18.26 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 0.42 1.65 0.56 0.00 0.00 -1.26 -4.79 107.32 103.90 2q3s s GLY 181 Ca 0.74 -0.81 0.28 0.00 0.00 0.00 0.00 44.72 44.93 2q3s s GLY 181 CO 0.47 -0.38 1.95 -0.56 0.00 0.00 0.00 173.10 174.58 2q3s h PRO 182 N -0.77 0.00 -0.04 2.90 0.13 -1.98 0.79 132.00 133.02 2q3s h PRO 182 Ca -0.45 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.46 2q3s h PRO 182 Cb 1.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.47 2q3s h PRO 182 CO 0.63 0.00 -0.85 1.49 -0.23 0.00 0.00 178.00 179.04 2q3s h GLU 183 N 0.00 0.65 -0.33 0.86 4.81 -2.00 -2.10 114.58 116.48 2q3s h GLU 183 Ca 0.26 -0.64 -0.09 0.00 -0.13 0.00 0.00 59.36 58.76 2q3s h GLU 183 Cb 1.15 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 2q3s h GLU 183 CO -0.00 1.25 -0.16 0.93 -0.73 0.00 0.00 179.01 180.29 2q3s h GLU 184 N 0.30 0.58 0.47 1.92 5.08 -1.63 -1.09 114.58 120.21 2q3s h GLU 184 Ca -0.09 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2q3s h GLU 184 Cb 1.51 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2q3s h GLU 184 CO 0.17 0.72 -0.22 1.96 -1.00 0.00 0.00 179.01 180.64 2q3s h GLN 185 N 0.53 -0.60 -0.92 2.33 4.20 -0.69 0.36 115.11 120.31 2q3s h GLN 185 Ca 0.09 0.04 0.12 0.00 0.06 0.00 0.00 58.65 58.96 2q3s h GLN 185 Cb 0.58 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.42 2q3s h GLN 185 CO 0.04 -0.40 0.55 1.25 -0.67 0.00 0.00 178.83 179.60 2q3s h LEU 186 N -0.63 0.77 -0.47 1.46 5.85 -1.34 0.31 115.31 121.26 2q3s h LEU 186 Ca -0.06 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.79 2q3s h LEU 186 Cb 0.48 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 2q3s h LEU 186 CO 0.11 0.40 0.11 -0.08 -0.34 0.00 0.00 178.44 178.64 2q3s h GLU 187 N 0.85 0.25 0.06 1.25 4.81 -0.28 3.63 114.58 125.16 2q3s h GLU 187 Ca 0.47 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.68 2q3s h GLU 187 Cb 0.51 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2q3s h GLU 187 CO -0.28 0.16 -0.03 0.00 -0.73 0.00 0.00 179.01 178.13 2q3s h ALA 188 N 1.35 -0.08 -0.78 2.92 0.00 0.39 1.17 119.26 124.23 2q3s h ALA 188 Ca 0.23 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.12 2q3s h ALA 188 Cb 0.28 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 2q3s h ALA 188 CO -0.28 -0.40 0.34 0.00 0.00 0.00 0.00 179.25 178.91 2q3s h ALA 189 N 0.54 1.12 -0.24 0.00 0.00 0.81 1.81 119.26 123.29 2q3s h ALA 189 Ca -0.01 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2q3s h ALA 189 Cb 0.33 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2q3s h ALA 189 CO 0.01 -0.16 -0.43 0.00 0.00 0.00 0.00 179.25 178.66 2q3s h ALA 190 N 1.54 0.38 0.00 0.00 0.00 0.72 0.31 119.26 122.21 2q3s h ALA 190 Ca 0.42 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2q3s h ALA 190 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2q3s h ALA 190 CO -0.38 0.51 0.00 -0.89 0.00 0.00 0.00 179.25 178.49 2q3s n ILE 191 N -4.17 0.08 -0.11 0.00 5.41 0.40 -0.91 119.36 120.05 2q3s n ILE 191 Ca -0.05 0.02 -0.16 0.00 1.00 0.00 0.00 62.75 63.55 2q3s n ILE 191 Cb 0.56 -0.73 -0.10 0.00 -0.71 0.00 0.00 39.64 38.65 2q3s n ILE 191 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2q3s n GLU 192 N -1.04 0.57 0.28 0.38 1.02 0.59 -3.75 120.64 118.69 2q3s n GLU 192 Ca 0.13 0.14 0.18 0.00 -0.02 0.00 0.00 57.16 57.59 2q3s n GLU 192 Cb 0.08 -1.45 0.99 0.00 -0.02 0.00 0.00 31.44 31.03 2q3s n GLU 192 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2q3s h GLY 193 N 1.61 0.00 0.54 0.62 0.00 0.15 -2.80 103.07 103.19 2q3s h GLY 193 Ca -0.52 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.45 2q3s h GLY 193 CO -0.10 0.00 -2.05 1.87 0.00 0.00 0.00 176.54 176.26 2q3s n TRP 194 N -2.79 0.95 0.02 5.60 -0.00 -0.25 -2.49 117.44 118.48 2q3s n TRP 194 Ca -0.02 0.22 -0.12 0.00 -0.00 0.00 0.00 57.50 57.58 2q3s n TRP 194 Cb 0.08 -1.13 -0.07 0.00 -0.00 0.00 0.00 31.31 30.18 2q3s n TRP 194 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2q3s h LEU 195 N 0.05 0.03 -1.12 5.87 3.38 -1.60 -1.62 115.31 120.30 2q3s h LEU 195 Ca -0.44 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.36 2q3s h LEU 195 Cb 2.02 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.74 2q3s h LEU 195 CO 0.05 0.16 0.16 0.40 0.09 0.00 0.00 178.44 179.31 2q3s h ILE 196 N -0.10 1.21 -0.58 1.22 1.08 -1.68 -0.03 117.51 118.64 2q3s h ILE 196 Ca 0.01 -0.72 -0.06 0.00 -0.39 0.00 0.00 64.86 63.70 2q3s h ILE 196 Cb 0.14 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 2q3s h ILE 196 CO -0.00 0.27 0.12 0.58 -0.69 0.00 0.00 178.15 178.43 2q3s h VAL 197 N 0.76 1.24 0.00 1.67 2.07 -1.40 -1.65 116.25 118.94 2q3s h VAL 197 Ca 0.18 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 2q3s h VAL 197 Cb 0.23 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2q3s h VAL 197 CO -0.01 0.33 -0.30 0.78 0.02 0.00 0.00 177.57 178.40 2q3s h ASN 198 N 0.86 0.00 0.43 0.57 2.35 -0.03 -3.28 115.58 116.49 2q3s h ASN 198 Ca 0.18 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2q3s h ASN 198 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2q3s h ASN 198 CO 0.00 0.30 -0.21 0.58 -1.65 0.00 0.00 177.43 176.45 2q3s h VAL 199 N 0.00 0.56 -0.19 2.81 2.07 -0.29 -2.42 116.25 118.79 2q3s h VAL 199 Ca -0.00 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.31 2q3s h VAL 199 Cb 0.57 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2q3s h VAL 199 CO 0.04 0.05 0.39 -0.25 0.02 0.00 0.00 177.57 177.82 2q3s h TRP 200 N -0.73 0.00 0.08 1.57 2.91 -1.55 -1.10 115.95 117.13 2q3s h TRP 200 Ca -0.06 0.00 -0.33 0.00 1.13 0.00 0.00 58.89 59.64 2q3s h TRP 200 Cb 0.52 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.15 2q3s h TRP 200 CO -0.01 0.00 -1.78 -0.44 -1.03 0.00 0.00 178.44 175.18 2q3s h ASP 201 N 0.00 0.27 -0.58 2.65 3.32 -1.65 -3.20 116.42 117.23 2q3s h ASP 201 Ca 0.09 -0.53 0.03 0.00 0.02 0.00 0.00 57.03 56.64 2q3s h ASP 201 Cb 0.88 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.30 2q3s h ASP 201 CO -0.00 1.47 0.35 -0.61 -1.72 0.00 0.00 179.24 178.73 2q3s h GLN 202 N 0.05 0.66 0.04 3.56 -0.00 -0.69 -2.05 115.11 116.67 2q3s h GLN 202 Ca -0.33 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.28 2q3s h GLN 202 Cb 2.02 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 29.35 2q3s h GLN 202 CO 0.10 0.44 -0.02 -0.07 0.00 0.00 0.00 178.83 179.29 2q3s h LEU 203 N 0.68 -0.04 -1.84 -2.39 3.38 -1.66 -3.07 115.31 110.37 2q3s h LEU 203 Ca 0.24 -0.10 0.20 0.00 0.09 0.00 0.00 57.88 58.30 2q3s h LEU 203 Cb 0.04 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2q3s h LEU 203 CO -0.11 0.08 0.53 -1.28 0.09 0.00 0.00 178.44 177.74 2q3s h SER 204 N -0.15 0.14 -0.87 -0.43 0.87 -1.42 -2.13 113.55 109.55 2q3s h SER 204 Ca -0.00 0.01 -0.43 0.00 -1.23 0.00 0.00 61.79 60.13 2q3s h SER 204 Cb 0.14 -0.02 -0.26 0.00 -0.44 0.00 0.00 62.40 61.83 2q3s h SER 204 CO 0.01 0.06 0.55 -0.90 -0.53 0.00 0.00 176.83 176.02 2q3s n ASP 205 N -4.39 3.82 0.00 6.23 5.68 -0.82 -5.10 116.55 121.97 2q3s n ASP 205 Ca 0.15 -3.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.03 2q3s n ASP 205 Cb 0.72 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 2q3s n ASP 205 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03