#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 3.08 0.31 -0.43 0.00 -1.26 -5.08 121.76 118.38 2q3s s ALA 2 Ca 0.00 -2.69 0.05 0.00 0.00 0.00 0.00 51.96 49.32 2q3s s ALA 2 Cb 0.00 -2.17 -0.06 0.00 0.00 0.00 0.00 23.12 20.88 2q3s s ALA 2 CO 0.00 -1.80 0.01 -1.54 0.00 0.00 0.00 175.76 172.43 2q3s s SER 3 N 1.00 2.66 -1.15 0.00 1.04 -1.26 -4.90 113.70 111.10 2q3s s SER 3 Ca 0.11 -1.30 -0.18 0.00 0.48 0.00 0.00 55.95 55.07 2q3s s SER 3 Cb -0.21 -0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.71 2q3s s SER 3 CO -0.06 -0.49 2.08 0.49 0.98 0.00 0.00 173.24 176.25 2q3s n PHE 4 N -0.67 2.81 -2.63 5.02 0.99 -1.26 -4.88 117.46 116.84 2q3s n PHE 4 Ca -0.04 -2.43 -0.42 0.00 -0.00 0.00 0.00 57.45 54.56 2q3s n PHE 4 Cb 0.65 -2.18 -0.02 0.00 -1.00 0.00 0.00 39.48 36.93 2q3s n PHE 4 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 2q3s s ASP 5 N 4.07 6.58 0.23 4.37 3.84 -1.26 -4.58 116.67 129.92 2q3s s ASP 5 Ca 0.52 -1.70 -0.22 0.00 -0.00 0.00 0.00 52.55 51.15 2q3s s ASP 5 Cb 0.14 -2.54 0.04 0.00 -1.38 0.00 0.00 42.92 39.17 2q3s s ASP 5 CO 0.01 -1.38 0.69 -0.83 -0.00 0.00 0.00 175.17 173.65 2q3s s GLY 6 N 4.64 -0.28 0.51 2.12 0.00 -0.97 -4.80 107.32 108.55 2q3s s GLY 6 Ca 0.45 -0.01 -0.20 0.00 0.00 0.00 0.00 44.72 44.96 2q3s s GLY 6 CO -0.07 0.00 0.59 -1.05 0.00 0.00 0.00 173.10 172.57 2q3s n PRO 7 N -0.43 0.63 -4.45 2.90 -0.02 -1.26 -4.35 135.00 128.02 2q3s n PRO 7 Ca -0.09 0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 61.32 2q3s n PRO 7 Cb 0.61 -1.70 -0.11 0.00 -0.02 0.00 0.00 33.50 32.28 2q3s n PRO 7 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2q3s s LYS 8 N -1.96 2.26 0.18 -0.52 2.20 -1.26 -2.97 119.74 117.68 2q3s s LYS 8 Ca 0.67 -0.90 0.07 0.00 -0.36 0.00 0.00 55.97 55.45 2q3s s LYS 8 Cb -0.50 -2.34 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 2q3s s LYS 8 CO 0.55 0.55 -0.14 -0.06 -0.36 0.00 0.00 175.35 175.90 2q3s s PHE 9 N -1.04 1.58 0.51 4.03 0.08 -0.03 -5.00 117.98 118.12 2q3s s PHE 9 Ca 0.18 -0.61 0.02 0.00 0.12 0.00 0.00 56.93 56.64 2q3s s PHE 9 Cb -0.11 -0.76 0.02 0.00 -0.57 0.00 0.00 43.02 41.61 2q3s s PHE 9 CO 0.09 0.27 0.21 1.17 -0.10 0.00 0.00 175.22 176.86 2q3s n LYS 10 N -0.21 0.76 -0.57 0.44 4.81 -1.26 0.02 118.16 122.15 2q3s n LYS 10 Ca -0.10 -3.43 0.06 0.00 -0.87 0.00 0.00 58.31 53.98 2q3s n LYS 10 Cb 0.60 0.64 0.29 0.00 0.02 0.00 0.00 35.03 36.58 2q3s n LYS 10 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2q3s n THR 12 N -1.49 1.70 -2.75 3.15 -2.24 -1.26 -4.94 114.28 106.44 2q3s n THR 12 Ca -0.11 -0.97 -0.10 0.00 -2.27 0.00 0.00 64.05 60.60 2q3s n THR 12 Cb 0.61 -0.12 0.06 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.68 -0.04 0.00 3.42 5.68 -1.26 -4.98 116.55 120.05 2q3s n ASP 13 Ca 0.20 -2.77 0.00 0.00 -0.50 0.00 0.00 54.79 51.73 2q3s n ASP 13 Cb 0.82 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.98 2q3s n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2q3s n GLY 14 N -0.14 0.00 3.71 6.12 0.00 -1.26 -4.89 105.19 108.73 2q3s n GLY 14 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2q3s n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2q3s n SER 15 N 0.00 2.16 -3.94 1.61 3.41 -1.26 -4.99 113.62 110.60 2q3s n SER 15 Ca 0.00 0.94 -0.31 0.00 -0.26 0.00 0.00 58.87 59.24 2q3s n SER 15 Cb 0.00 -1.52 -0.15 0.00 -0.26 0.00 0.00 64.21 62.28 2q3s n SER 15 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2q3s s TYR 16 N -1.34 2.79 -0.10 7.33 2.02 -1.26 -4.33 117.35 122.47 2q3s s TYR 16 Ca 0.73 -2.20 -0.30 0.00 -0.37 0.00 0.00 57.07 54.94 2q3s s TYR 16 Cb -0.43 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.07 2q3s s TYR 16 CO 0.49 -0.86 1.02 0.08 -1.57 0.00 0.00 175.55 174.71 2q3s s VAL 17 N 1.25 4.75 0.69 0.71 1.01 0.10 -4.86 120.40 124.05 2q3s s VAL 17 Ca 0.02 2.02 -0.05 0.00 0.00 0.00 0.00 61.98 63.96 2q3s s VAL 17 Cb -0.19 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 31.97 2q3s s VAL 17 CO -0.10 0.00 0.99 -1.10 0.00 0.00 0.00 175.10 174.89 2q3s s GLN 18 N 2.02 2.09 0.13 2.72 -0.21 -1.24 -0.85 119.66 124.31 2q3s s GLN 18 Ca 0.49 -0.48 -0.16 0.00 0.02 0.00 0.00 55.36 55.24 2q3s s GLN 18 Cb -0.19 -2.23 0.03 0.00 1.00 0.00 0.00 33.01 31.63 2q3s s GLN 18 CO 0.18 -1.25 0.39 0.95 -2.12 0.00 0.00 175.29 173.45 2q3s s THR 19 N -3.18 0.07 -0.18 -0.19 -4.23 -1.16 -1.86 115.64 104.91 2q3s s THR 19 Ca 0.61 -0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 60.45 2q3s s THR 19 Cb -0.09 -1.21 0.08 0.00 1.34 0.00 0.00 72.50 72.61 2q3s s THR 19 CO 0.44 -0.32 0.18 -0.75 -0.54 0.00 0.00 174.62 173.63 2q3s s LYS 20 N -3.81 0.14 -0.36 3.99 2.47 -1.16 -2.28 119.74 118.73 2q3s s LYS 20 Ca 0.04 0.18 -0.08 0.00 -1.56 0.00 0.00 55.97 54.54 2q3s s LYS 20 Cb 0.02 -1.25 0.04 0.00 -1.46 0.00 0.00 37.83 35.18 2q3s s LYS 20 CO -0.11 -0.62 0.15 0.99 0.16 0.00 0.00 175.35 175.93 2q3s s THR 21 N 2.28 4.07 -0.12 3.43 2.01 -1.26 -0.95 115.64 125.10 2q3s s THR 21 Ca 0.05 -1.09 -0.03 0.00 0.31 0.00 0.00 61.69 60.94 2q3s s THR 21 Cb -0.15 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 2q3s s THR 21 CO -0.11 -0.24 -0.02 -0.63 -0.69 0.00 0.00 174.62 172.94 2q3s s ILE 22 N 1.45 4.10 -0.47 1.82 1.01 -0.01 -4.98 121.20 124.11 2q3s s ILE 22 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 2q3s s ILE 22 Cb -0.20 -2.76 0.05 0.00 0.01 0.00 0.00 42.46 39.57 2q3s s ILE 22 CO 0.04 0.55 0.53 -0.62 0.00 0.00 0.00 174.94 175.43 2q3s s ASP 23 N -0.27 6.20 -0.25 3.58 -1.08 -1.26 0.31 116.67 123.90 2q3s s ASP 23 Ca 0.05 -0.91 -0.29 0.00 -0.52 0.00 0.00 52.55 50.88 2q3s s ASP 23 Cb -0.12 -2.25 -0.01 0.00 -1.46 0.00 0.00 42.92 39.07 2q3s s ASP 23 CO 0.02 -0.75 1.44 -0.69 0.52 0.00 0.00 175.17 175.71 2q3s s VAL 24 N 2.29 3.95 0.00 1.11 1.01 0.16 -4.89 120.40 124.03 2q3s s VAL 24 Ca 0.12 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2q3s s VAL 24 Cb -0.19 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2q3s s VAL 24 CO 0.12 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.46 2q3s n GLY 25 N 4.41 -1.13 0.40 4.51 0.00 -1.26 -4.13 105.19 107.99 2q3s n GLY 25 Ca 0.16 -1.21 0.07 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 1.72 0.00 1.61 3.41 -1.26 -4.54 113.62 114.56 2q3s n SER 26 Ca 0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 2q3s n SER 26 Cb 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2q3s n SER 26 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2q3s n SER 27 N 0.17 0.04 -4.51 4.04 7.64 -1.26 -4.64 113.62 115.10 2q3s n SER 27 Ca 0.07 -0.28 -0.33 0.00 1.01 0.00 0.00 58.87 59.33 2q3s n SER 27 Cb 0.31 0.38 0.12 0.00 -1.01 0.00 0.00 64.21 64.01 2q3s n SER 27 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2q3s n THR 28 N -0.38 0.56 -3.96 0.44 -1.04 -1.26 -5.00 114.28 103.64 2q3s n THR 28 Ca 0.00 -0.18 -0.33 0.00 -2.04 0.00 0.00 64.05 61.50 2q3s n THR 28 Cb 0.01 -0.80 -0.14 0.00 -1.82 0.00 0.00 70.33 67.58 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 -2.08 4.84 0.04 8.00 3.68 -1.26 -4.79 116.67 125.10 2q3s s ASP 29 Ca 0.63 -1.92 0.26 0.00 2.13 0.00 0.00 52.55 53.64 2q3s s ASP 29 Cb -0.25 -1.67 0.63 0.00 -1.45 0.00 0.00 42.92 40.19 2q3s s ASP 29 CO 0.62 -0.37 1.52 2.30 0.13 0.00 0.00 175.17 179.36 2q3s n ILE 30 N 4.39 0.11 -0.18 4.11 -5.35 -1.26 -4.44 119.36 116.74 2q3s n ILE 30 Ca -0.02 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2q3s n ILE 30 Cb 0.42 -0.04 0.03 0.00 -1.74 0.00 0.00 39.64 38.32 2q3s n ILE 30 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2q3s n SER 31 N -1.68 -0.27 0.17 7.28 7.64 -1.26 -1.04 113.62 124.45 2q3s n SER 31 Ca 0.05 0.83 0.02 0.00 1.01 0.00 0.00 58.87 60.78 2q3s n SER 31 Cb 0.37 -0.21 0.29 0.00 -1.01 0.00 0.00 64.21 63.65 2q3s n SER 31 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2q3s h PRO 32 N 0.00 0.00 -0.13 1.43 0.11 -1.98 -1.71 132.00 129.73 2q3s h PRO 32 Ca 0.18 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.08 2q3s h PRO 32 Cb 0.30 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.42 2q3s h PRO 32 CO -0.48 0.47 -0.77 1.88 -0.21 0.00 0.00 178.00 178.89 2q3s h TYR 33 N 0.00 0.90 -0.47 0.65 0.05 -1.40 -2.25 116.97 114.45 2q3s h TYR 33 Ca -0.00 -0.40 -0.09 0.00 0.05 0.00 0.00 58.73 58.29 2q3s h TYR 33 Cb 0.89 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 2q3s h TYR 33 CO 0.00 1.21 -0.06 -0.07 -1.05 0.00 0.00 178.16 178.19 2q3s h LEU 34 N 0.45 0.80 -0.64 3.88 3.38 -1.47 -2.29 115.31 119.42 2q3s h LEU 34 Ca -0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2q3s h LEU 34 Cb 1.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2q3s h LEU 34 CO 0.15 0.90 0.36 0.28 0.09 0.00 0.00 178.44 180.22 2q3s h SER 35 N 0.75 0.80 -0.31 -0.43 0.02 -1.10 0.71 113.55 113.99 2q3s h SER 35 Ca 0.13 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2q3s h SER 35 Cb 0.54 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2q3s h SER 35 CO 0.03 0.66 0.18 -0.07 -1.14 0.00 0.00 176.83 176.49 2q3s h LEU 36 N 0.88 0.38 -0.38 5.07 3.38 -1.18 0.60 115.31 124.06 2q3s h LEU 36 Ca 0.23 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2q3s h LEU 36 Cb 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2q3s h LEU 36 CO -0.04 0.33 0.22 0.40 0.09 0.00 0.00 178.44 179.44 2q3s h ILE 37 N 0.39 1.13 -0.32 1.22 1.08 -1.20 0.10 117.51 119.92 2q3s h ILE 37 Ca 0.11 -0.32 -0.12 0.00 -0.39 0.00 0.00 64.86 64.14 2q3s h ILE 37 Cb 0.03 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 2q3s h ILE 37 CO -0.02 0.13 -0.30 -0.09 -0.69 0.00 0.00 178.15 177.19 2q3s h ARG 38 N 0.49 0.67 -0.37 2.37 2.43 -0.51 -1.93 114.38 117.52 2q3s h ARG 38 Ca 0.13 -0.29 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 2q3s h ARG 38 Cb 0.02 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2q3s h ARG 38 CO -0.02 0.89 0.00 1.49 -1.51 0.00 0.00 179.97 180.81 2q3s h GLU 39 N 0.57 0.66 0.00 0.20 4.81 0.35 -2.89 114.58 118.27 2q3s h GLU 39 Ca 0.07 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2q3s h GLU 39 Cb 0.80 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2q3s h GLU 39 CO 0.07 0.76 0.00 -3.47 -0.73 0.00 0.00 179.01 175.64 2q3s n ASP 40 N -4.48 0.00 -0.25 1.04 2.03 0.33 -2.28 116.55 112.95 2q3s n ASP 40 Ca -0.01 0.86 0.09 0.00 0.52 0.00 0.00 54.79 56.24 2q3s n ASP 40 Cb 0.28 -0.41 0.18 0.00 -0.72 0.00 0.00 41.12 40.44 2q3s n ASP 40 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2q3s n SER 41 N -1.74 -0.14 0.17 1.67 2.88 -0.74 0.67 113.62 116.40 2q3s n SER 41 Ca 0.00 1.22 -0.14 0.00 -1.33 0.00 0.00 58.87 58.62 2q3s n SER 41 Cb 0.00 -0.42 -0.07 0.00 -0.75 0.00 0.00 64.21 62.97 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 0.44 -0.38 2.46 2.04 -1.50 0.44 117.51 121.02 2q3s h ILE 42 Ca 0.40 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.17 2q3s h ILE 42 Cb 0.78 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2q3s h ILE 42 CO -0.69 0.00 -0.13 -0.07 0.00 0.00 0.00 178.15 177.26 2q3s h LEU 43 N -0.55 0.77 -0.84 1.44 3.38 0.68 -3.40 115.31 116.80 2q3s h LEU 43 Ca -0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2q3s h LEU 43 Cb 0.51 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2q3s h LEU 43 CO -0.06 0.98 0.00 0.59 0.09 0.00 0.00 178.44 180.03 2q3s n ASN 44 N -4.33 0.54 -1.13 -0.43 3.02 -0.66 -4.91 115.26 107.37 2q3s n ASN 44 Ca -0.02 -1.12 0.01 0.00 -0.03 0.00 0.00 54.58 53.42 2q3s n ASN 44 Cb 0.38 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.78 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 -0.06 4.41 3.80 7.41 0.00 0.15 -4.54 105.19 116.35 2q3s n GLY 45 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.79 0.00 -1.31 1.61 5.03 -1.16 -2.24 115.26 116.40 2q3s n ASN 46 Ca 0.29 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.65 2q3s n ASN 46 Cb 1.02 -1.36 0.01 0.00 -1.02 0.00 0.00 39.78 38.43 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 -2.00 -1.79 -4.57 3.52 1.74 -0.88 -4.94 116.66 107.73 2q3s n ARG 47 Ca 0.00 0.38 -0.31 0.00 -0.77 0.00 0.00 57.85 57.15 2q3s n ARG 47 Cb 0.00 -4.15 -0.12 0.00 -1.02 0.00 0.00 32.46 27.17 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 -2.73 2.73 -0.01 7.54 0.00 -0.95 -0.19 121.76 128.14 2q3s s ALA 48 Ca 0.10 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 50.96 2q3s s ALA 48 Cb -0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 2q3s s ALA 48 CO 0.13 0.59 -0.18 0.08 0.00 0.00 0.00 175.76 176.38 2q3s s VAL 49 N -0.97 1.40 -0.03 0.00 1.01 0.27 -4.75 120.40 117.33 2q3s s VAL 49 Ca 0.16 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2q3s s VAL 49 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2q3s s VAL 49 CO 0.07 0.40 0.13 -0.63 0.00 0.00 0.00 175.10 175.07 2q3s s ILE 50 N -0.42 5.16 0.25 2.22 1.09 0.49 0.06 121.20 130.06 2q3s s ILE 50 Ca 0.07 -0.19 -0.03 0.00 -1.10 0.00 0.00 60.65 59.40 2q3s s ILE 50 Cb -0.07 -3.36 -0.02 0.00 -1.06 0.00 0.00 42.46 37.95 2q3s s ILE 50 CO -0.01 0.39 0.29 0.72 -0.10 0.00 0.00 174.94 176.23 2q3s s PHE 51 N -1.21 1.01 0.11 3.97 -0.12 0.12 -0.72 117.98 121.14 2q3s s PHE 51 Ca 0.23 -1.23 -0.16 0.00 -0.05 0.00 0.00 56.93 55.72 2q3s s PHE 51 Cb -0.12 -0.32 0.03 0.00 -0.63 0.00 0.00 43.02 41.98 2q3s s PHE 51 CO 0.14 -0.83 0.38 0.34 -0.05 0.00 0.00 175.22 175.20 2q3s s ASP 52 N -3.16 -0.21 -0.02 1.98 3.68 -1.10 -4.40 116.67 113.43 2q3s s ASP 52 Ca 0.34 -0.30 0.04 0.00 2.13 0.00 0.00 52.55 54.76 2q3s s ASP 52 Cb 0.03 0.45 -0.01 0.00 -1.45 0.00 0.00 42.92 41.95 2q3s s ASP 52 CO 0.14 -0.81 -0.14 0.68 0.13 0.00 0.00 175.17 175.17 2q3s s VAL 53 N -3.60 1.12 -0.15 1.11 -7.23 -1.26 -1.57 120.40 108.82 2q3s s VAL 53 Ca 0.02 -0.58 0.02 0.00 -1.81 0.00 0.00 61.98 59.63 2q3s s VAL 53 Cb 0.02 -0.95 0.02 0.00 0.56 0.00 0.00 36.38 36.02 2q3s s VAL 53 CO -0.10 0.32 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.51 2q3s s TYR 54 N -0.11 2.49 0.28 2.82 1.51 0.66 -4.91 117.35 120.09 2q3s s TYR 54 Ca 0.01 -1.33 0.03 0.00 -1.01 0.00 0.00 57.07 54.77 2q3s s TYR 54 Cb -0.08 -1.74 0.03 0.00 -0.11 0.00 0.00 41.96 40.07 2q3s s TYR 54 CO 0.00 -0.65 0.28 0.91 -1.11 0.00 0.00 175.55 174.98 2q3s n TRP 55 N 4.36 -1.61 -4.32 2.71 7.02 -1.26 0.36 117.44 124.70 2q3s n TRP 55 Ca -0.20 -1.13 -0.17 0.00 -1.02 0.00 0.00 57.50 54.98 2q3s n TRP 55 Cb 0.51 -0.24 -0.10 0.00 -2.42 0.00 0.00 31.31 29.05 2q3s n TRP 55 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2q3s s ASP 56 N -2.69 2.21 0.40 -0.99 2.15 0.16 -4.41 116.67 113.51 2q3s s ASP 56 Ca 0.21 -1.07 -0.22 0.00 0.43 0.00 0.00 52.55 51.90 2q3s s ASP 56 Cb -0.02 -0.07 -0.11 0.00 -0.30 0.00 0.00 42.92 42.42 2q3s s ASP 56 CO 0.13 -0.30 0.94 -0.69 -0.17 0.00 0.00 175.17 175.09 2q3s s VAL 57 N -3.17 4.35 -0.41 1.11 1.01 -1.26 -2.59 120.40 119.45 2q3s s VAL 57 Ca 0.22 1.56 -0.17 0.00 0.00 0.00 0.00 61.98 63.59 2q3s s VAL 57 Cb 0.02 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.71 2q3s s VAL 57 CO 0.06 -0.20 0.44 -0.83 0.00 0.00 0.00 175.10 174.56 2q3s s GLY 58 N -2.04 1.88 -0.52 4.51 0.00 -1.24 -4.68 107.32 105.22 2q3s s GLY 58 Ca 0.59 -1.43 0.07 0.00 0.00 0.00 0.00 44.72 43.95 2q3s s GLY 58 CO 0.16 1.16 0.85 0.69 0.00 0.00 0.00 173.10 175.96 2q3s n PHE 59 N 5.61 2.73 0.00 1.90 3.01 -1.26 -4.85 117.46 124.60 2q3s n PHE 59 Ca -0.07 -3.94 0.00 0.00 1.01 0.00 0.00 57.45 54.45 2q3s n PHE 59 Cb 0.48 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 2q3s n PHE 59 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 2q3s n THR 66 N 0.07 0.00 0.32 4.37 5.66 -1.26 -5.14 114.28 118.30 2q3s n THR 66 Ca 0.29 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 61.46 2q3s n THR 66 Cb 0.48 0.00 0.92 0.00 -1.55 0.00 0.00 70.33 70.18 2q3s n THR 66 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2q3s h LYS 67 N 0.00 0.00 -0.29 1.09 1.63 -2.06 0.23 116.57 117.16 2q3s h LYS 67 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2q3s h LYS 67 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2q3s h LYS 67 CO 0.00 0.00 0.00 0.25 -3.45 0.00 0.00 179.45 176.25 2q3s n THR 68 N -2.89 0.45 0.25 1.00 -2.24 -1.26 -4.53 114.28 105.06 2q3s n THR 68 Ca -0.02 -0.72 0.08 0.00 -2.27 0.00 0.00 64.05 61.11 2q3s n THR 68 Cb 0.26 1.00 0.62 0.00 -2.10 0.00 0.00 70.33 70.11 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 3.77 0.00 0.39 3.42 4.64 -0.96 -1.97 113.55 122.85 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 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2q3s h SER 69 CO 0.00 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 2q3s n GLY 70 N -1.24 -0.89 3.70 -0.77 0.00 -1.26 -4.71 105.19 100.03 2q3s n GLY 70 Ca -0.03 -0.04 -0.42 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 -2.93 3.18 0.10 1.61 0.52 -0.74 -3.70 118.94 116.98 2q3s s TRP 71 Ca 0.07 1.12 0.09 0.00 0.02 0.00 0.00 56.10 57.40 2q3s s TRP 71 Cb 0.08 -3.50 -0.04 0.00 -1.15 0.00 0.00 33.47 28.87 2q3s s TRP 71 CO 0.22 -1.65 -0.22 -1.12 0.02 0.00 0.00 176.95 174.20 2q3s s SER 72 N 1.44 2.69 -0.30 2.95 0.01 -1.07 -4.90 113.70 114.53 2q3s s SER 72 Ca 0.59 -0.69 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 2q3s s SER 72 Cb -0.28 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 65.79 2q3s s SER 72 CO 0.26 0.09 1.21 -0.22 0.41 0.00 0.00 173.24 174.98 2q3s s LEU 73 N -1.90 3.93 -0.22 2.44 2.96 -1.26 0.40 118.68 125.02 2q3s s LEU 73 Ca 0.08 1.18 0.09 0.00 -0.22 0.00 0.00 54.13 55.26 2q3s s LEU 73 Cb -0.10 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.85 2q3s s LEU 73 CO 0.04 -0.97 -0.08 -0.24 -1.32 0.00 0.00 176.35 173.78 2q3s n SER 74 N 7.23 1.18 -3.48 3.68 2.88 1.12 -4.78 113.62 121.44 2q3s n SER 74 Ca 0.14 -0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.49 2q3s n SER 74 Cb 0.47 0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 64.15 2q3s n SER 74 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2q3s s SER 75 N -5.94 0.39 0.31 -3.46 0.01 0.15 0.10 113.70 105.26 2q3s s SER 75 Ca -0.22 -1.22 -0.13 0.00 1.31 0.00 0.00 55.95 55.69 2q3s s SER 75 Cb 0.07 0.66 0.02 0.00 0.21 0.00 0.00 66.02 66.98 2q3s s SER 75 CO 0.68 -1.30 0.59 -0.69 0.41 0.00 0.00 173.24 172.93 2q3s s VAL 76 N -3.30 0.00 0.06 3.43 1.01 -1.20 0.24 120.40 120.64 2q3s s VAL 76 Ca 0.25 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 2q3s s VAL 76 Cb -0.01 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2q3s s VAL 76 CO 0.15 0.00 0.03 -0.75 0.00 0.00 0.00 175.10 174.53 2q3s s LYS 77 N -3.38 0.64 -0.21 2.72 2.20 -0.61 -2.37 119.74 118.74 2q3s s LYS 77 Ca 0.21 -1.08 -0.08 0.00 -0.36 0.00 0.00 55.97 54.65 2q3s s LYS 77 Cb -0.03 0.24 0.09 0.00 -1.51 0.00 0.00 37.83 36.62 2q3s s LYS 77 CO 0.12 -0.14 0.46 -0.51 -0.36 0.00 0.00 175.35 174.91 2q3s s LEU 78 N -2.75 -0.66 0.03 5.43 1.43 -0.35 -2.70 118.68 119.10 2q3s s LEU 78 Ca 0.04 1.08 0.07 0.00 -1.03 0.00 0.00 54.13 54.29 2q3s s LEU 78 Cb 0.05 1.53 -0.02 0.00 0.03 0.00 0.00 46.19 47.78 2q3s s LEU 78 CO -0.09 -0.23 -0.20 -0.44 0.23 0.00 0.00 176.35 175.62 2q3s s SER 79 N 2.47 2.37 0.39 2.29 0.01 0.10 -0.67 113.70 120.67 2q3s s SER 79 Ca -0.04 -0.48 0.05 0.00 1.31 0.00 0.00 55.95 56.79 2q3s s SER 79 Cb -0.11 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 2q3s s SER 79 CO -0.14 0.17 0.17 0.42 0.41 0.00 0.00 173.24 174.27 2q3s s THR 80 N -0.72 0.41 0.06 1.44 -4.23 -1.14 -0.38 115.64 111.08 2q3s s THR 80 Ca 0.07 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.64 2q3s s THR 80 Cb -0.08 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.44 2q3s s THR 80 CO 0.01 0.00 0.97 -1.14 -0.54 0.00 0.00 174.62 173.92 2q3s n ARG 81 N -0.84 0.04 0.00 3.99 3.00 -1.26 -3.89 116.66 117.71 2q3s n ARG 81 Ca -0.02 0.45 0.00 0.00 -0.00 0.00 0.00 57.85 58.28 2q3s n ARG 81 Cb 0.64 -2.11 0.00 0.00 0.00 0.00 0.00 32.46 30.99 2q3s n ARG 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2q3s n ASN 82 N -1.76 0.00 -5.03 6.15 3.02 -1.26 -5.03 115.26 111.35 2q3s n ASN 82 Ca -0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.35 2q3s n ASN 82 Cb 0.48 -0.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.62 2q3s n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2q3s s LEU 83 N -3.26 3.12 -0.18 3.41 1.43 -1.25 -3.72 118.68 118.23 2q3s s LEU 83 Ca 0.00 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.22 2q3s s LEU 83 Cb 0.00 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.61 2q3s s LEU 83 CO 0.00 -1.30 0.08 0.00 0.23 0.00 0.00 176.35 175.35 2q3s s LEU 85 N 2.05 4.12 -0.09 0.00 2.96 0.16 -2.99 118.68 124.88 2q3s s LEU 85 Ca 0.01 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 2q3s s LEU 85 Cb -0.16 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 2q3s s LEU 85 CO -0.10 0.11 -0.19 0.12 -1.32 0.00 0.00 176.35 174.97 2q3s s PHE 86 N 0.81 2.64 0.09 5.38 2.19 -0.12 -1.21 117.98 127.77 2q3s s PHE 86 Ca 0.07 -0.66 0.09 0.00 0.33 0.00 0.00 56.93 56.77 2q3s s PHE 86 Cb -0.13 -1.72 -0.04 0.00 -1.31 0.00 0.00 43.02 39.83 2q3s s PHE 86 CO 0.02 -0.19 -0.23 -0.51 1.83 0.00 0.00 175.22 176.14 2q3s s LEU 87 N 0.03 2.42 -0.10 6.12 1.43 -1.00 -0.83 118.68 126.74 2q3s s LEU 87 Ca -0.07 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 2q3s s LEU 87 Cb -0.15 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 2q3s s LEU 87 CO 0.05 0.21 -0.15 -0.13 0.23 0.00 0.00 176.35 176.57 2q3s s ARG 88 N -1.76 3.09 0.12 1.70 0.52 0.15 -3.21 118.95 119.56 2q3s s ARG 88 Ca 0.14 -0.71 0.10 0.00 -0.52 0.00 0.00 55.73 54.74 2q3s s ARG 88 Cb -0.10 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 2q3s s ARG 88 CO 0.06 0.33 -0.23 -0.51 0.02 0.00 0.00 175.30 174.97 2q3s s LEU 89 N 0.04 2.48 0.41 2.53 1.43 0.12 0.38 118.68 126.07 2q3s s LEU 89 Ca -0.05 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 52.46 2q3s s LEU 89 Cb -0.15 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.71 2q3s s LEU 89 CO 0.04 0.19 0.57 -2.16 0.23 0.00 0.00 176.35 175.23 2q3s s PRO 90 N -2.01 2.90 -0.04 1.29 0.04 -1.26 -4.75 135.00 131.17 2q3s s PRO 90 Ca 0.15 -1.04 0.01 0.00 0.04 0.00 0.00 61.00 60.16 2q3s s PRO 90 Cb -0.10 -2.73 0.02 0.00 0.04 0.00 0.00 34.50 31.73 2q3s s PRO 90 CO 0.07 -0.23 -0.04 0.21 0.04 0.00 0.00 177.00 177.05 2q3s s LYS 91 N -4.37 0.78 0.95 4.56 2.20 -1.26 -3.89 119.74 118.71 2q3s s LYS 91 Ca 0.52 -0.10 -0.15 0.00 -0.36 0.00 0.00 55.97 55.88 2q3s s LYS 91 Cb -0.10 -0.79 0.17 0.00 -1.51 0.00 0.00 37.83 35.61 2q3s s LYS 91 CO 0.34 -0.07 1.23 -1.25 -0.36 0.00 0.00 175.35 175.23 2q3s s PRO 92 N 0.86 0.75 0.45 4.03 0.04 -1.26 -5.12 135.00 134.74 2q3s s PRO 92 Ca -0.11 -0.11 -0.22 0.00 0.04 0.00 0.00 61.00 60.59 2q3s s PRO 92 Cb -0.14 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 2q3s s PRO 92 CO 0.00 -2.39 1.07 -0.06 0.04 0.00 0.00 177.00 175.67 2q3s s PHE 93 N -3.58 3.07 0.49 0.56 0.40 -1.25 -5.07 117.98 112.60 2q3s s PHE 93 Ca 0.69 1.60 0.04 0.00 -0.60 0.00 0.00 56.93 58.66 2q3s s PHE 93 Cb -0.08 -3.17 -0.01 0.00 0.51 0.00 0.00 43.02 40.26 2q3s s PHE 93 CO 0.53 -0.93 0.14 -1.01 0.70 0.00 0.00 175.22 174.66 2q3s s HIS 94 N -1.73 2.01 0.28 0.36 3.76 -1.26 -5.03 115.29 113.68 2q3s s HIS 94 Ca 0.63 -0.82 0.01 0.00 -0.15 0.00 0.00 55.06 54.72 2q3s s HIS 94 Cb -0.22 -1.78 0.55 0.00 1.11 0.00 0.00 32.58 32.24 2q3s s HIS 94 CO 0.27 0.06 1.84 -0.44 -0.85 0.00 0.00 174.74 175.61 2q3s h ASP 95 N 1.25 0.94 0.00 1.40 3.45 -1.98 -0.24 116.42 121.24 2q3s h ASP 95 Ca -0.42 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.09 2q3s h ASP 95 Cb 1.29 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 2q3s h ASP 95 CO 0.70 0.51 0.02 -0.46 -1.57 0.00 0.00 179.24 178.44 2q3s n ASN 96 N -4.61 0.00 -0.09 6.45 2.04 -1.26 0.11 115.26 117.90 2q3s n ASN 96 Ca 0.19 0.08 0.12 0.00 -0.44 0.00 0.00 54.58 54.53 2q3s n ASN 96 Cb 0.34 -0.08 0.19 0.00 -2.53 0.00 0.00 39.78 37.70 2q3s n ASN 96 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2q3s n LEU 97 N -0.99 0.83 0.18 -4.53 4.77 -0.10 -3.91 117.00 113.25 2q3s n LEU 97 Ca 0.00 -0.21 0.03 0.00 -0.03 0.00 0.00 56.01 55.79 2q3s n LEU 97 Cb 0.02 -0.15 0.35 0.00 -2.33 0.00 0.00 43.42 41.31 2q3s n LEU 97 CO 0.00 0.18 0.70 0.11 -1.33 0.00 0.00 177.39 177.06 2q3s h LYS 98 N 0.46 0.00 -0.35 3.23 1.57 0.66 -0.74 116.57 121.40 2q3s h LYS 98 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2q3s h LYS 98 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2q3s h LYS 98 CO 0.00 0.39 0.01 -0.44 -0.57 0.00 0.00 179.45 178.84 2q3s h ASP 99 N 0.00 0.51 -0.49 0.86 3.45 -1.72 0.79 116.42 119.81 2q3s h ASP 99 Ca -0.00 -0.09 -0.10 0.00 0.43 0.00 0.00 57.03 57.27 2q3s h ASP 99 Cb 0.72 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.34 2q3s h ASP 99 CO 0.05 0.57 -0.07 0.25 -1.57 0.00 0.00 179.24 178.47 2q3s h LEU 100 N 0.52 0.91 -0.04 1.55 5.85 -1.36 -0.35 115.31 122.40 2q3s h LEU 100 Ca 0.11 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 2q3s h LEU 100 Cb 0.32 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2q3s h LEU 100 CO 0.01 1.04 0.01 1.88 -0.34 0.00 0.00 178.44 181.04 2q3s h TYR 101 N 0.77 0.07 -0.34 1.25 -1.99 -0.92 -0.73 116.97 115.08 2q3s h TYR 101 Ca 0.13 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.85 2q3s h TYR 101 Cb 0.61 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.31 2q3s h TYR 101 CO 0.05 0.29 0.20 0.00 -0.00 0.00 0.00 178.16 178.70 2q3s h ARG 102 N -0.17 0.46 -0.42 4.88 3.08 -0.92 -2.18 114.38 119.11 2q3s h ARG 102 Ca 0.01 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.14 2q3s h ARG 102 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2q3s h ARG 102 CO 0.00 0.36 0.36 0.35 -1.07 0.00 0.00 179.97 179.97 2q3s h PHE 103 N 0.44 0.00 -0.00 3.04 3.04 -0.81 0.15 116.94 122.80 2q3s h PHE 103 Ca 0.12 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.07 2q3s h PHE 103 Cb 0.01 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.52 2q3s h PHE 103 CO -0.04 0.00 -0.13 1.19 -2.02 0.00 0.00 178.31 177.31 2q3s n PHE 104 N -4.06 0.00 0.95 0.41 0.99 -0.30 -3.52 117.46 111.92 2q3s n PHE 104 Ca 0.07 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.65 2q3s n PHE 104 Cb 0.55 -0.24 0.34 0.00 -1.00 0.00 0.00 39.48 39.13 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 -1.12 3.14 -1.69 4.37 0.00 0.52 -2.96 120.51 122.77 2q3s n ALA 105 Ca 0.12 -0.27 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 2q3s n ALA 105 Cb 0.29 -1.23 0.02 0.00 0.00 0.00 0.00 19.45 18.54 2q3s n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2q3s n SER 106 N -1.58 2.22 -0.19 0.00 2.88 -1.23 -4.63 113.62 111.10 2q3s n SER 106 Ca 0.06 1.03 0.03 0.00 -1.33 0.00 0.00 58.87 58.66 2q3s n SER 106 Cb 0.35 -1.49 0.01 0.00 -0.75 0.00 0.00 64.21 62.34 2q3s n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2q3s n LYS 107 N -0.30 0.81 -0.03 -1.46 5.02 -1.26 -4.42 118.16 116.50 2q3s n LYS 107 Ca 0.09 -0.68 0.00 0.00 -2.02 0.00 0.00 58.31 55.69 2q3s n LYS 107 Cb 0.42 -1.04 0.30 0.00 -0.02 0.00 0.00 35.03 34.68 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 0.91 0.61 -2.98 2.13 0.05 -1.96 -3.44 116.94 112.26 2q3s h PHE 108 Ca 0.00 -0.04 -0.45 0.00 3.82 0.00 0.00 57.97 61.30 2q3s h PHE 108 Cb 0.21 -0.18 -0.14 0.00 2.00 0.00 0.00 35.95 37.84 2q3s h PHE 108 CO 0.00 0.54 -0.62 0.14 -0.18 0.00 0.00 178.31 178.19 2q3s s VAL 109 N -5.14 1.14 -0.33 -0.55 -7.23 -1.26 -4.93 120.40 102.10 2q3s s VAL 109 Ca -0.08 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 57.97 2q3s s VAL 109 Cb 0.16 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 2q3s s VAL 109 CO 0.77 -0.06 0.19 -0.89 -0.31 0.00 0.00 175.10 174.79 2q3s s THR 110 N -3.34 4.82 -0.49 5.32 2.01 0.73 -4.81 115.64 119.88 2q3s s THR 110 Ca 0.35 -0.40 -0.24 0.00 0.31 0.00 0.00 61.69 61.72 2q3s s THR 110 Cb 0.08 -3.49 0.03 0.00 0.01 0.00 0.00 72.50 69.13 2q3s s THR 110 CO 0.14 0.01 0.87 -0.36 -0.69 0.00 0.00 174.62 174.60 2q3s s PHE 111 N 1.64 2.91 -0.03 4.92 0.08 0.11 -0.57 117.98 127.05 2q3s s PHE 111 Ca 0.05 0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.27 2q3s s PHE 111 Cb -0.17 -3.88 -0.03 0.00 -0.57 0.00 0.00 43.02 38.36 2q3s s PHE 111 CO 0.08 -1.14 -0.08 0.08 -0.10 0.00 0.00 175.22 174.06 2q3s s VAL 112 N 3.62 3.57 0.20 -0.44 1.01 0.11 -3.51 120.40 124.97 2q3s s VAL 112 Ca 0.32 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 2q3s s VAL 112 Cb -0.12 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.77 2q3s s VAL 112 CO 0.22 0.49 0.49 -0.83 0.00 0.00 0.00 175.10 175.47 2q3s s GLY 113 N -1.13 0.12 -0.24 4.51 0.00 -1.19 0.16 107.32 109.55 2q3s s GLY 113 Ca 0.15 -0.46 -0.15 0.00 0.00 0.00 0.00 44.72 44.26 2q3s s GLY 113 CO 0.04 -0.41 0.35 0.14 0.00 0.00 0.00 173.10 173.22 2q3s s VAL 114 N -3.92 5.21 -0.58 1.40 1.01 -1.26 -3.64 120.40 118.63 2q3s s VAL 114 Ca 0.13 0.57 -0.21 0.00 0.00 0.00 0.00 61.98 62.47 2q3s s VAL 114 Cb -0.01 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.72 2q3s s VAL 114 CO 0.00 0.22 0.64 0.00 0.00 0.00 0.00 175.10 175.97 2q3s n GLN 115 N 4.82 -1.85 0.00 2.72 1.13 -1.26 -4.97 117.38 117.97 2q3s n GLN 115 Ca -0.09 1.38 0.04 0.00 -1.94 0.00 0.00 57.00 56.39 2q3s n GLN 115 Cb 0.51 -3.13 0.02 0.00 0.11 0.00 0.00 30.24 27.75 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 -1.03 0.00 -0.39 5.09 -5.35 -1.26 -4.78 119.36 111.64 2q3s n ILE 116 Ca -0.11 -0.45 -0.10 0.00 -0.27 0.00 0.00 62.75 61.83 2q3s n ILE 116 Cb 0.63 1.14 -0.08 0.00 -1.74 0.00 0.00 39.64 39.59 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 1.30 -0.03 -0.55 6.28 4.81 -1.97 -0.29 114.58 124.13 2q3s h GLU 117 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2q3s h GLU 117 Cb 0.33 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2q3s h GLU 117 CO 0.00 -0.02 0.23 0.93 -0.73 0.00 0.00 179.01 179.42 2q3s h GLU 118 N -0.03 0.79 0.94 1.92 4.39 -2.00 -3.03 114.58 117.57 2q3s h GLU 118 Ca 0.18 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 2q3s h GLU 118 Cb 0.45 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2q3s h GLU 118 CO -0.92 0.64 -0.45 -0.44 -1.16 0.00 0.00 179.01 176.68 2q3s h ASP 119 N 0.79 -1.07 -0.89 1.42 3.32 -1.39 0.59 116.42 119.18 2q3s h ASP 119 Ca 0.19 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.36 2q3s h ASP 119 Cb 0.14 0.28 -0.11 0.00 0.22 0.00 0.00 39.33 39.86 2q3s h ASP 119 CO -0.02 -0.75 -0.52 0.18 -1.72 0.00 0.00 179.24 176.41 2q3s n LEU 120 N -5.63 -0.94 0.01 1.55 4.77 -0.90 0.71 117.00 116.56 2q3s n LEU 120 Ca -0.16 1.59 -0.11 0.00 -0.03 0.00 0.00 56.01 57.30 2q3s n LEU 120 Cb 0.50 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 2q3s n LEU 120 CO 0.39 -1.30 0.50 0.44 -1.33 0.00 0.00 177.39 176.10 2q3s h ASP 121 N 0.00 -1.26 -0.23 -1.43 5.19 -1.38 4.82 116.42 122.14 2q3s h ASP 121 Ca 0.15 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 2q3s h ASP 121 Cb 0.37 0.49 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 2q3s h ASP 121 CO -0.84 -0.36 0.15 -0.07 -3.12 0.00 0.00 179.24 174.99 2q3s h LEU 122 N -0.45 0.27 -0.77 1.55 3.38 0.76 3.02 115.31 123.07 2q3s h LEU 122 Ca 0.02 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.10 2q3s h LEU 122 Cb 0.51 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 2q3s h LEU 122 CO -0.31 0.21 0.33 -0.07 0.09 0.00 0.00 178.44 178.69 2q3s h LEU 123 N 0.30 0.34 0.13 1.67 3.38 2.47 1.27 115.31 124.86 2q3s h LEU 123 Ca 0.08 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2q3s h LEU 123 Cb -0.01 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2q3s h LEU 123 CO -0.02 0.14 -0.06 -0.09 0.09 0.00 0.00 178.44 178.49 2q3s h ARG 124 N 0.49 -0.17 -0.32 1.13 2.43 1.08 0.89 114.38 119.91 2q3s h ARG 124 Ca 0.42 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.56 2q3s h ARG 124 Cb 0.61 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2q3s h ARG 124 CO -0.39 0.29 0.06 0.93 -1.51 0.00 0.00 179.97 179.35 2q3s h GLU 125 N -0.82 0.53 0.00 0.20 5.08 0.58 0.71 114.58 120.86 2q3s h GLU 125 Ca -0.02 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 2q3s h GLU 125 Cb 0.54 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2q3s h GLU 125 CO 0.03 0.62 -1.51 0.09 -1.00 0.00 0.00 179.01 177.24 2q3s n ASN 126 N -4.61 0.65 0.00 1.42 4.13 0.43 -4.54 115.26 112.74 2q3s n ASN 126 Ca -0.02 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.52 2q3s n ASN 126 Cb 0.21 0.56 0.00 0.00 -1.54 0.00 0.00 39.78 39.02 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 -2.74 0.00 -1.52 3.10 8.25 -0.95 -5.01 115.22 116.35 2q3s n HIS 127 Ca -0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.26 2q3s n HIS 127 Cb 0.77 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.84 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 1.22 0.92 3.76 -1.41 0.00 0.66 -4.94 105.19 105.41 2q3s n GLY 128 Ca 0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.63 4.30 -0.08 0.99 0.20 0.28 -4.88 118.68 116.86 2q3s s LEU 129 Ca 0.00 0.65 0.02 0.00 0.69 0.00 0.00 54.13 55.49 2q3s s LEU 129 Cb 0.00 -2.45 0.01 0.00 -0.43 0.00 0.00 46.19 43.32 2q3s s LEU 129 CO 0.00 0.15 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.37 2q3s s VAL 130 N 0.09 1.37 -0.43 1.68 1.01 -1.26 -1.95 120.40 120.91 2q3s s VAL 130 Ca 0.19 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 2q3s s VAL 130 Cb -0.14 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.03 2q3s s VAL 130 CO 0.07 0.41 0.37 -0.63 0.00 0.00 0.00 175.10 175.32 2q3s s ILE 131 N 0.74 5.19 0.22 2.22 1.01 -1.26 -4.22 121.20 125.09 2q3s s ILE 131 Ca -0.13 -0.61 0.26 0.00 0.00 0.00 0.00 60.65 60.17 2q3s s ILE 131 Cb -0.16 -4.01 0.26 0.00 0.01 0.00 0.00 42.46 38.56 2q3s s ILE 131 CO 0.03 -0.40 1.91 0.03 0.00 0.00 0.00 174.94 176.50 2q3s h ARG 132 N 8.69 0.00 -3.29 2.79 3.08 -1.79 -3.39 114.38 120.47 2q3s h ARG 132 Ca -0.27 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.19 2q3s h ARG 132 Cb 1.11 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.77 2q3s h ARG 132 CO 0.78 0.19 -0.76 1.21 -1.07 0.00 0.00 179.97 180.31 2q3s s ASN 133 N -6.14 3.82 0.31 7.04 3.84 -1.26 -5.06 114.94 117.48 2q3s s ASN 133 Ca -0.00 -1.90 0.03 0.00 0.21 0.00 0.00 52.86 51.20 2q3s s ASN 133 Cb 0.11 -0.83 -0.05 0.00 -0.55 0.00 0.00 41.25 39.92 2q3s s ASN 133 CO 0.61 -0.37 0.08 0.00 -2.79 0.00 0.00 177.10 174.63 2q3s s ALA 134 N 1.30 2.20 -0.27 1.71 0.00 -1.26 0.06 121.76 125.50 2q3s s ALA 134 Ca 0.12 -1.89 -0.24 0.00 0.00 0.00 0.00 51.96 49.96 2q3s s ALA 134 Cb -0.19 0.82 0.09 0.00 0.00 0.00 0.00 23.12 23.84 2q3s s ALA 134 CO -0.18 -0.37 0.80 -1.50 0.00 0.00 0.00 175.76 174.52 2q3s s ILE 135 N -3.45 0.00 -1.22 0.00 2.07 -1.23 -4.96 121.20 112.40 2q3s s ILE 135 Ca 0.35 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.48 2q3s s ILE 135 Cb 0.08 -1.00 0.18 0.00 0.13 0.00 0.00 42.46 41.85 2q3s s ILE 135 CO 0.15 0.00 1.56 -3.20 -1.91 0.00 0.00 174.94 171.54 2q3s n ASN 136 N 2.74 5.25 0.00 4.50 2.85 -1.26 -3.14 115.26 126.20 2q3s n ASN 136 Ca -0.14 -3.04 0.00 0.00 -0.11 0.00 0.00 54.58 51.28 2q3s n ASN 136 Cb 0.56 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 40.06 2q3s n ASN 136 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 2q3s n VAL 137 N 3.93 0.00 -0.58 3.44 3.14 -1.24 0.34 118.33 127.36 2q3s n VAL 137 Ca 0.36 0.00 0.45 0.00 -2.96 0.00 0.00 64.34 62.20 2q3s n VAL 137 Cb 0.40 0.00 0.73 0.00 -1.06 0.00 0.00 33.84 33.90 2q3s n VAL 137 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2q3s n GLY 138 N -0.46 -0.88 0.07 7.55 0.00 -1.26 0.84 105.19 111.04 2q3s n GLY 138 Ca 0.00 0.70 -0.06 0.00 0.00 0.00 0.00 46.02 46.66 2q3s n GLY 138 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2q3s h LYS 139 N 0.00 0.00 0.02 1.61 3.64 0.55 0.41 116.57 122.80 2q3s h LYS 139 Ca 0.88 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 60.26 2q3s h LYS 139 Cb 3.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 35.03 2q3s h LYS 139 CO -0.21 0.94 -0.01 1.25 -2.27 0.00 0.00 179.45 179.15 2q3s h LEU 140 N 0.00 -0.02 -0.05 5.20 5.85 0.37 -2.93 115.31 123.73 2q3s h LEU 140 Ca -0.01 -0.75 0.03 0.00 0.84 0.00 0.00 57.88 58.00 2q3s h LEU 140 Cb 1.72 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.71 2q3s h LEU 140 CO 0.12 0.81 -0.18 0.00 -0.34 0.00 0.00 178.44 178.85 2q3s h ALA 141 N -0.08 -0.18 -0.92 1.25 0.00 -1.08 1.72 119.26 119.97 2q3s h ALA 141 Ca -0.00 0.02 0.26 0.00 0.00 0.00 0.00 54.91 55.19 2q3s h ALA 141 Cb 0.77 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2q3s h ALA 141 CO 0.00 -0.66 0.65 0.00 0.00 0.00 0.00 179.25 179.25 2q3s h ALA 142 N 0.69 2.75 0.01 0.00 0.00 -1.01 0.25 119.26 121.95 2q3s h ALA 142 Ca 0.07 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 2q3s h ALA 142 Cb 0.36 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2q3s h ALA 142 CO -0.20 -1.02 -1.75 0.39 0.00 0.00 0.00 179.25 176.66 2q3s n GLU 143 N -4.31 0.59 0.00 0.00 1.02 0.24 -3.18 120.64 115.00 2q3s n GLU 143 Ca 0.19 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 2q3s n GLU 143 Cb 0.94 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 2q3s n GLU 143 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2q3s n ALA 144 N -3.62 -0.19 0.32 0.62 0.00 0.56 -2.50 120.51 115.70 2q3s n ALA 144 Ca -0.39 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.26 2q3s n ALA 144 Cb 0.79 0.20 1.07 0.00 0.00 0.00 0.00 19.45 21.50 2q3s n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q3s h ARG 145 N 0.00 0.00 -4.85 0.00 2.47 -0.72 -3.47 114.38 107.80 2q3s h ARG 145 Ca 0.00 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.64 2q3s h ARG 145 Cb 0.00 0.00 0.06 0.00 -1.65 0.00 0.00 29.97 28.38 2q3s h ARG 145 CO 0.00 0.00 -0.26 0.41 0.56 0.00 0.00 179.97 180.68 2q3s n GLY 146 N -0.79 -0.90 3.06 0.04 0.00 -1.04 -5.03 105.19 100.54 2q3s n GLY 146 Ca -0.02 0.35 -0.04 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.12 -0.80 0.37 2.61 2.01 -1.23 -5.07 115.64 110.42 2q3s s THR 147 Ca 0.14 -0.27 0.20 0.00 0.31 0.00 0.00 61.69 62.07 2q3s s THR 147 Cb -0.02 -0.44 0.35 0.00 0.01 0.00 0.00 72.50 72.40 2q3s s THR 147 CO 0.58 -0.17 1.60 -0.07 -0.69 0.00 0.00 174.62 175.87 2q3s h LEU 148 N 7.32 0.36 -1.61 4.42 3.38 -1.96 -2.19 115.31 125.03 2q3s h LEU 148 Ca 0.02 0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2q3s h LEU 148 Cb 1.15 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2q3s h LEU 148 CO 0.15 -0.36 -0.14 1.62 0.09 0.00 0.00 178.44 179.80 2q3s h VAL 149 N 0.08 0.46 -0.26 1.22 3.04 -1.97 -2.83 116.25 115.99 2q3s h VAL 149 Ca 0.82 -0.73 0.08 0.00 -1.01 0.00 0.00 66.70 65.86 2q3s h VAL 149 Cb 2.14 1.51 -0.01 0.00 -2.01 0.00 0.00 31.29 32.91 2q3s h VAL 149 CO -0.71 0.14 0.28 -0.07 -1.01 0.00 0.00 177.57 176.19 2q3s h LEU 150 N 0.00 0.00 -1.47 3.16 3.38 -1.70 0.14 115.31 118.81 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 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2q3s h LEU 150 CO 0.02 0.00 -0.16 -0.08 0.09 0.00 0.00 178.44 178.31 2q3s h GLU 151 N 0.00 0.00 -0.27 1.13 4.81 -1.49 -3.22 114.58 115.55 2q3s h GLU 151 Ca 0.12 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2q3s h GLU 151 Cb 0.67 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.01 2q3s h GLU 151 CO -0.00 0.16 -0.04 1.19 -0.73 0.00 0.00 179.01 179.58 2q3s n PHE 152 N -3.41 0.88 -4.03 0.92 3.72 0.47 -4.75 117.46 111.27 2q3s n PHE 152 Ca -0.01 -1.22 -0.34 0.00 -0.05 0.00 0.00 57.45 55.84 2q3s n PHE 152 Cb 0.34 -0.37 -0.06 0.00 -0.94 0.00 0.00 39.48 38.45 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 -3.03 4.09 0.82 4.37 1.43 -1.20 -5.11 118.68 120.05 2q3s s LEU 153 Ca 0.42 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.66 2q3s s LEU 153 Cb 0.36 -2.33 0.11 0.00 0.03 0.00 0.00 46.19 44.37 2q3s s LEU 153 CO 0.04 0.29 1.16 -0.83 0.23 0.00 0.00 176.35 177.24 2q3s s GLY 154 N -1.66 1.68 0.00 -3.19 0.00 -1.26 -4.76 107.32 98.14 2q3s s GLY 154 Ca 0.23 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2q3s s GLY 154 CO 0.13 -0.41 0.83 2.41 0.00 0.00 0.00 173.10 176.06 2q3s n THR 155 N -3.30 0.00 -0.38 0.90 -1.04 -1.26 -2.13 114.28 107.06 2q3s n THR 155 Ca 0.11 1.33 -0.04 0.00 -2.04 0.00 0.00 64.05 63.40 2q3s n THR 155 Cb 0.60 -1.92 -0.00 0.00 -1.82 0.00 0.00 70.33 67.19 2q3s n THR 155 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2q3s h ARG 156 N 0.00 -0.01 -0.96 -2.82 1.12 -1.97 -0.84 114.38 108.90 2q3s h ARG 156 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2q3s h ARG 156 Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 29.92 2q3s h ARG 156 CO 0.00 -0.01 0.61 1.49 -3.11 0.00 0.00 179.97 178.95 2q3s h GLU 157 N -0.01 1.28 -0.51 0.20 4.57 -1.92 0.38 114.58 118.57 2q3s h GLU 157 Ca 0.28 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 2q3s h GLU 157 Cb 0.54 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 2q3s h GLU 157 CO -0.96 0.87 0.17 1.25 -1.18 0.00 0.00 179.01 179.16 2q3s h LEU 158 N 1.31 0.68 -0.55 1.64 5.85 -0.65 0.34 115.31 123.93 2q3s h LEU 158 Ca 0.35 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 2q3s h LEU 158 Cb -0.11 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 2q3s h LEU 158 CO -0.07 0.64 0.19 0.00 -0.34 0.00 0.00 178.44 178.86 2q3s h ALA 159 N 1.46 0.72 0.03 1.25 0.00 -0.14 -1.82 119.26 120.76 2q3s h ALA 159 Ca 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2q3s h ALA 159 Cb 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2q3s h ALA 159 CO -0.01 0.37 -0.02 1.25 0.00 0.00 0.00 179.25 180.84 2q3s h HIS 160 N 0.76 -0.04 0.00 0.00 -0.00 -0.39 0.78 115.15 116.26 2q3s h HIS 160 Ca 0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 2q3s h HIS 160 Cb 0.25 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 2q3s h HIS 160 CO 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 177.93 177.92 2q3s h ARG 161 N -0.04 0.00 0.00 5.26 2.47 -0.83 -1.28 114.38 119.96 2q3s h ARG 161 Ca -0.00 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.40 2q3s h ARG 161 Cb 0.04 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.30 2q3s h ARG 161 CO 0.00 0.00 -2.20 0.28 0.56 0.00 0.00 179.97 178.61 2q3s n VAL 162 N -2.45 1.20 -0.03 2.04 0.31 -0.70 -4.77 118.33 113.93 2q3s n VAL 162 Ca 0.03 -0.45 0.02 0.00 -0.01 0.00 0.00 64.34 63.93 2q3s n VAL 162 Cb 0.30 -1.29 -0.12 0.00 -0.91 0.00 0.00 33.84 31.82 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 -3.18 0.00 -2.91 7.52 4.77 0.27 -5.00 117.00 118.46 2q3s n LEU 163 Ca -0.38 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.40 2q3s n LEU 163 Cb 0.89 0.14 0.01 0.00 -2.33 0.00 0.00 43.42 42.12 2q3s n LEU 163 CO 0.19 0.14 -0.08 0.79 -1.33 0.00 0.00 177.39 177.10 2q3s n TRP 164 N -2.25 -1.66 -2.54 -1.77 7.02 -0.48 -4.96 117.44 110.79 2q3s n TRP 164 Ca -0.11 0.31 -0.23 0.00 -1.02 0.00 0.00 57.50 56.45 2q3s n TRP 164 Cb 0.64 -3.50 0.09 0.00 -2.42 0.00 0.00 31.31 26.11 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 -2.46 4.63 -0.14 -0.99 1.04 -1.26 -5.04 113.70 109.47 2q3s s SER 165 Ca 0.22 -0.16 -0.29 0.00 0.48 0.00 0.00 55.95 56.20 2q3s s SER 165 Cb -0.11 -0.38 -0.01 0.00 0.10 0.00 0.00 66.02 65.62 2q3s s SER 165 CO 0.27 -1.65 1.09 -0.62 0.98 0.00 0.00 173.24 173.32 2q3s s ASP 166 N -4.63 7.12 -0.16 7.02 -1.08 -1.26 -4.89 116.67 118.79 2q3s s ASP 166 Ca 0.63 1.57 0.17 0.00 -0.52 0.00 0.00 52.55 54.40 2q3s s ASP 166 Cb -0.07 -2.55 0.36 0.00 -1.46 0.00 0.00 42.92 39.20 2q3s s ASP 166 CO 0.43 -0.59 1.23 0.18 0.52 0.00 0.00 175.17 176.94 2q3s n LEU 167 N 5.66 2.78 0.08 -1.34 4.77 -1.26 -4.83 117.00 122.86 2q3s n LEU 167 Ca 0.11 -3.20 -0.12 0.00 -0.03 0.00 0.00 56.01 52.77 2q3s n LEU 167 Cb 0.47 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2q3s n LEU 167 CO 0.53 0.81 0.78 1.23 -1.33 0.00 0.00 177.39 179.41 2q3s h GLY 168 N 0.51 -0.23 1.18 -0.72 0.00 -1.99 0.31 103.07 102.14 2q3s h GLY 168 Ca 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 2q3s h GLY 168 CO 0.06 -0.14 0.40 -1.61 0.00 0.00 0.00 176.54 175.26 2q3s h GLN 169 N -0.26 1.07 -0.01 4.80 5.75 -2.00 -1.61 115.11 122.86 2q3s h GLN 169 Ca 0.02 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 2q3s h GLN 169 Cb 0.28 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 2q3s h GLN 169 CO -0.08 0.80 0.00 1.25 -2.65 0.00 0.00 178.83 178.15 2q3s h LEU 170 N 1.08 0.01 -1.15 -2.39 5.85 -1.82 -2.13 115.31 114.75 2q3s h LEU 170 Ca 0.27 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2q3s h LEU 170 Cb 0.06 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2q3s h LEU 170 CO -0.04 0.32 0.58 0.44 -0.34 0.00 0.00 178.44 179.39 2q3s h ASP 171 N -0.29 0.96 -0.16 1.25 5.19 -0.18 -1.77 116.42 121.42 2q3s h ASP 171 Ca 0.00 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 2q3s h ASP 171 Cb 0.31 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 2q3s h ASP 171 CO 0.00 0.67 -0.00 0.77 -3.12 0.00 0.00 179.24 177.56 2q3s h SER 172 N 1.12 0.29 -0.79 6.45 4.64 -1.20 -0.73 113.55 123.33 2q3s h SER 172 Ca 0.34 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2q3s h SER 172 Cb -0.02 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 2q3s h SER 172 CO -0.09 0.53 0.48 0.40 -0.87 0.00 0.00 176.83 177.28 2q3s h ILE 173 N 0.03 1.22 -0.03 0.95 2.04 -1.07 -3.14 117.51 117.51 2q3s h ILE 173 Ca 0.05 -0.49 -0.17 0.00 1.00 0.00 0.00 64.86 65.24 2q3s h ILE 173 Cb 0.39 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2q3s h ILE 173 CO 0.01 0.23 -0.73 -0.33 0.00 0.00 0.00 178.15 177.33 2q3s h GLU 174 N 1.09 0.21 -0.76 2.37 5.08 -1.11 -3.01 114.58 118.45 2q3s h GLU 174 Ca 0.28 -0.18 0.10 0.00 -1.00 0.00 0.00 59.36 58.56 2q3s h GLU 174 Cb -0.04 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2q3s h GLU 174 CO -0.05 0.85 0.50 0.00 -1.00 0.00 0.00 179.01 179.30 2q3s h ALA 175 N 1.10 1.81 -1.61 3.43 0.00 -1.08 -2.64 119.26 120.27 2q3s h ALA 175 Ca -0.02 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.27 2q3s h ALA 175 Cb 1.30 -0.15 -0.41 0.00 0.00 0.00 0.00 17.79 18.52 2q3s h ALA 175 CO 0.11 0.04 -0.59 0.36 0.00 0.00 0.00 179.25 179.17 2q3s n LYS 176 N -4.50 3.39 -0.13 0.00 -0.00 -1.14 -4.91 118.16 110.87 2q3s n LYS 176 Ca 0.13 -4.51 -0.04 0.00 -0.00 0.00 0.00 58.31 53.88 2q3s n LYS 176 Cb 0.33 -2.25 0.04 0.00 -0.00 0.00 0.00 35.03 33.15 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 2.69 0.14 0.00 5.58 2.91 -1.45 -2.45 115.95 123.37 2q3s h TRP 177 Ca 0.29 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.34 2q3s h TRP 177 Cb 0.79 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 2q3s h TRP 177 CO 0.85 0.01 0.00 -0.85 -1.03 0.00 0.00 178.44 177.43 2q3s n GLU 178 N -5.10 0.03 -0.04 2.65 0.00 -1.26 -1.77 120.64 115.16 2q3s n GLU 178 Ca 0.03 0.29 0.04 0.00 0.00 0.00 0.00 57.16 57.52 2q3s n GLU 178 Cb 0.19 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.18 2q3s n GLU 178 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2q3s n LYS 179 N -1.46 1.07 -2.72 3.44 5.02 -0.94 -5.01 118.16 117.56 2q3s n LYS 179 Ca 0.03 -1.26 -0.41 0.00 -2.02 0.00 0.00 58.31 54.65 2q3s n LYS 179 Cb 0.12 -1.15 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 2q3s n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2q3s s ALA 180 N -0.74 3.27 1.12 7.82 0.00 -0.73 -5.05 121.76 127.46 2q3s s ALA 180 Ca 0.11 0.60 -0.13 0.00 0.00 0.00 0.00 51.96 52.54 2q3s s ALA 180 Cb 0.07 -3.27 0.26 0.00 0.00 0.00 0.00 23.12 20.17 2q3s s ALA 180 CO 0.09 0.01 1.05 0.20 0.00 0.00 0.00 175.76 177.11 2q3s s GLY 181 N -0.26 1.54 0.24 0.00 0.00 -1.26 -4.77 107.32 102.82 2q3s s GLY 181 Ca 0.46 -0.30 -0.06 0.00 0.00 0.00 0.00 44.72 44.82 2q3s s GLY 181 CO 0.31 0.40 1.89 -2.55 0.00 0.00 0.00 173.10 173.15 2q3s h PRO 182 N -2.39 1.15 0.00 2.90 0.11 -1.99 -2.18 132.00 129.60 2q3s h PRO 182 Ca -0.59 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.37 2q3s h PRO 182 Cb 1.34 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2q3s h PRO 182 CO 0.53 0.76 -0.39 1.49 -0.21 0.00 0.00 178.00 180.18 2q3s h GLU 183 N 1.18 0.00 -0.09 1.05 4.81 -1.98 -1.25 114.58 118.29 2q3s h GLU 183 Ca 0.37 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.44 2q3s h GLU 183 Cb -0.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2q3s h GLU 183 CO -0.12 0.39 -0.64 0.93 -0.73 0.00 0.00 179.01 178.85 2q3s h GLU 184 N 0.00 0.35 0.03 1.92 5.08 -1.76 -0.35 114.58 119.85 2q3s h GLU 184 Ca -0.00 -0.25 -0.23 0.00 -1.00 0.00 0.00 59.36 57.87 2q3s h GLU 184 Cb 1.04 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2q3s h GLU 184 CO 0.05 0.87 -0.99 1.96 -1.00 0.00 0.00 179.01 179.90 2q3s h GLN 185 N 0.25 0.36 -0.12 2.33 4.20 -1.19 -1.23 115.11 119.71 2q3s h GLN 185 Ca -0.01 -0.42 -0.02 0.00 0.06 0.00 0.00 58.65 58.26 2q3s h GLN 185 Cb 1.17 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.08 2q3s h GLN 185 CO 0.11 1.11 0.01 1.25 -0.67 0.00 0.00 178.83 180.63 2q3s h LEU 186 N 0.19 0.19 -0.78 1.46 5.85 -1.22 -0.22 115.31 120.78 2q3s h LEU 186 Ca -0.09 -0.29 0.11 0.00 0.84 0.00 0.00 57.88 58.46 2q3s h LEU 186 Cb 1.64 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.54 2q3s h LEU 186 CO 0.17 0.43 0.41 -0.08 -0.34 0.00 0.00 178.44 179.03 2q3s h GLU 187 N -0.05 0.64 -0.50 1.25 4.81 -0.90 0.65 114.58 120.47 2q3s h GLU 187 Ca 0.03 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2q3s h GLU 187 Cb 0.33 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2q3s h GLU 187 CO 0.00 0.42 0.02 0.00 -0.73 0.00 0.00 179.01 178.73 2q3s h ALA 188 N 1.48 1.10 -0.27 2.92 0.00 -0.99 0.31 119.26 123.81 2q3s h ALA 188 Ca 0.40 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2q3s h ALA 188 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2q3s h ALA 188 CO -0.29 0.58 0.01 0.00 0.00 0.00 0.00 179.25 179.54 2q3s h ALA 189 N 1.25 0.36 -0.08 0.00 0.00 0.12 -1.81 119.26 119.11 2q3s h ALA 189 Ca 0.15 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2q3s h ALA 189 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2q3s h ALA 189 CO 0.02 0.09 -0.63 0.00 0.00 0.00 0.00 179.25 178.73 2q3s h ALA 190 N 0.83 0.79 0.80 0.00 0.00 0.35 -2.42 119.26 119.62 2q3s h ALA 190 Ca 0.08 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2q3s h ALA 190 Cb 0.40 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2q3s h ALA 190 CO 0.01 0.74 -0.38 0.82 0.00 0.00 0.00 179.25 180.44 2q3s h ILE 191 N 0.21 0.14 -0.91 0.00 2.04 -0.20 -2.34 117.51 116.44 2q3s h ILE 191 Ca -0.01 -0.12 0.20 0.00 1.00 0.00 0.00 64.86 65.93 2q3s h ILE 191 Cb 1.15 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 2q3s h ILE 191 CO 0.10 0.01 0.60 -0.33 0.00 0.00 0.00 178.15 178.53 2q3s h GLU 192 N -1.18 0.43 -0.82 2.37 5.08 -1.37 0.44 114.58 119.53 2q3s h GLU 192 Ca -0.11 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2q3s h GLU 192 Cb 0.84 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 2q3s h GLU 192 CO 0.18 0.28 0.53 0.78 -1.00 0.00 0.00 179.01 179.78 2q3s h GLY 193 N 0.44 1.20 1.02 -3.84 0.00 -1.19 -0.11 103.07 100.59 2q3s h GLY 193 Ca 0.48 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 2q3s h GLY 193 CO -0.19 0.34 -0.42 -0.25 0.00 0.00 0.00 176.54 176.01 2q3s h TRP 194 N 1.02 0.92 -0.79 5.60 7.01 0.27 -1.71 115.95 128.27 2q3s h TRP 194 Ca 0.33 -0.32 0.04 0.00 2.11 0.00 0.00 58.89 61.06 2q3s h TRP 194 Cb 0.02 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 26.86 2q3s h TRP 194 CO -0.03 1.10 0.52 -0.07 -2.79 0.00 0.00 178.44 177.17 2q3s h LEU 195 N 0.48 0.81 0.00 0.65 3.38 -0.14 -2.25 115.31 118.24 2q3s h LEU 195 Ca 0.02 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 2q3s h LEU 195 Cb 1.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2q3s h LEU 195 CO 0.10 0.54 -1.15 0.40 0.09 0.00 0.00 178.44 178.42 2q3s h ILE 196 N 0.93 1.54 -0.88 1.22 1.08 -0.98 -2.22 117.51 118.20 2q3s h ILE 196 Ca 0.32 -3.27 0.04 0.00 -0.39 0.00 0.00 64.86 61.56 2q3s h ILE 196 Cb 0.11 2.77 -0.06 0.00 -3.07 0.00 0.00 36.82 36.57 2q3s h ILE 196 CO -0.10 0.88 0.56 0.58 -0.69 0.00 0.00 178.15 179.38 2q3s h VAL 197 N 0.00 1.12 -0.09 1.67 2.07 -1.02 0.53 116.25 120.53 2q3s h VAL 197 Ca -0.07 -0.37 -0.20 0.00 0.82 0.00 0.00 66.70 66.88 2q3s h VAL 197 Cb 1.82 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2q3s h VAL 197 CO 0.12 0.20 -0.77 0.78 0.02 0.00 0.00 177.57 177.92 2q3s h ASN 198 N 1.07 0.62 -0.71 0.57 4.21 -1.38 -2.25 115.58 117.71 2q3s h ASN 198 Ca 0.36 -0.42 -0.00 0.00 1.21 0.00 0.00 56.30 57.45 2q3s h ASN 198 Cb 0.05 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 2q3s h ASN 198 CO -0.13 1.18 0.44 0.58 -1.29 0.00 0.00 177.43 178.21 2q3s h VAL 199 N 0.35 1.20 -0.78 2.81 2.07 -0.81 -1.00 116.25 120.08 2q3s h VAL 199 Ca -0.04 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 2q3s h VAL 199 Cb 1.36 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 2q3s h VAL 199 CO 0.14 0.20 0.39 -0.25 0.02 0.00 0.00 177.57 178.07 2q3s h TRP 200 N 0.96 1.11 -0.30 1.57 2.91 -0.70 0.04 115.95 121.54 2q3s h TRP 200 Ca 0.26 -0.05 -0.12 0.00 1.13 0.00 0.00 58.89 60.11 2q3s h TRP 200 Cb -0.06 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 28.24 2q3s h TRP 200 CO -0.02 0.80 -0.28 -0.44 -1.03 0.00 0.00 178.44 177.48 2q3s h ASP 201 N 1.10 0.77 -0.16 2.65 3.32 -1.20 0.12 116.42 123.01 2q3s h ASP 201 Ca 0.27 -0.46 0.03 0.00 0.02 0.00 0.00 57.03 56.89 2q3s h ASP 201 Cb 0.09 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2q3s h ASP 201 CO -0.04 1.07 -0.04 -0.61 -1.72 0.00 0.00 179.24 177.91 2q3s h GLN 202 N 0.48 -0.00 -0.32 3.56 5.75 -0.95 -2.31 115.11 121.31 2q3s h GLN 202 Ca 0.05 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.40 2q3s h GLN 202 Cb 0.85 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.40 2q3s h GLN 202 CO 0.07 -0.00 -0.39 -0.07 -2.65 0.00 0.00 178.83 175.79 2q3s h LEU 203 N -0.00 0.90 -0.78 -2.39 3.38 -0.80 -3.08 115.31 112.54 2q3s h LEU 203 Ca 0.08 -0.49 -0.13 0.00 0.09 0.00 0.00 57.88 57.44 2q3s h LEU 203 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2q3s h LEU 203 CO -0.17 1.21 -0.45 0.77 0.09 0.00 0.00 178.44 179.88 2q3s h SER 204 N 0.61 0.38 1.67 -0.43 4.64 -0.73 -3.24 113.55 116.45 2q3s h SER 204 Ca 0.04 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 2q3s h SER 204 Cb 0.98 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2q3s h SER 204 CO 0.09 0.78 -0.05 0.44 -0.87 0.00 0.00 176.83 177.23 2q3s h ASP 205 N 0.29 0.00 -0.01 4.97 3.32 -1.47 -3.51 116.42 120.01 2q3s h ASP 205 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2q3s h ASP 205 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2q3s h ASP 205 CO 0.08 0.05 0.00 -1.84 -1.72 0.00 0.00 179.24 175.80