#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 3.55 -0.09 -0.43 0.00 -1.26 -5.06 121.76 118.47 2q3s s ALA 2 Ca 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 2q3s s ALA 2 Cb 0.00 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.42 2q3s s ALA 2 CO 0.00 -0.72 0.22 -1.54 0.00 0.00 0.00 175.76 173.72 2q3s s SER 3 N 1.66 -0.23 -1.30 0.00 1.04 -1.26 -4.99 113.70 108.62 2q3s s SER 3 Ca 0.14 0.46 -0.17 0.00 0.48 0.00 0.00 55.95 56.86 2q3s s SER 3 Cb -0.16 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.40 2q3s s SER 3 CO 0.10 -0.10 2.06 0.49 0.98 0.00 0.00 173.24 176.77 2q3s n PHE 4 N 3.23 3.47 0.39 5.02 3.01 -1.26 -4.35 117.46 126.97 2q3s n PHE 4 Ca -0.15 -2.67 0.05 0.00 1.01 0.00 0.00 57.45 55.68 2q3s n PHE 4 Cb 0.57 -2.44 0.03 0.00 -0.01 0.00 0.00 39.48 37.63 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 7.30 1.59 -3.69 4.37 3.85 -1.09 -4.03 116.55 124.85 2q3s n ASP 5 Ca 0.51 -1.29 0.00 0.00 -0.71 0.00 0.00 54.79 53.29 2q3s n ASP 5 Cb 0.41 0.14 0.00 0.00 -1.35 0.00 0.00 41.12 40.32 2q3s n ASP 5 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2q3s n GLY 6 N 0.62 -3.47 3.56 6.12 0.00 -0.95 -4.72 105.19 106.35 2q3s n GLY 6 Ca 0.05 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 2q3s n GLY 6 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2q3s s PRO 7 N -0.85 1.57 0.19 1.61 0.04 -1.26 -4.66 135.00 131.63 2q3s s PRO 7 Ca 0.00 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.21 2q3s s PRO 7 Cb 0.00 -4.79 -0.09 0.00 0.04 0.00 0.00 34.50 29.67 2q3s s PRO 7 CO 0.00 -4.51 1.32 0.21 0.04 0.00 0.00 177.00 174.07 2q3s s LYS 8 N 8.92 4.37 0.11 4.56 2.20 -1.26 -4.67 119.74 133.97 2q3s s LYS 8 Ca 0.93 2.06 0.11 0.00 -0.36 0.00 0.00 55.97 58.70 2q3s s LYS 8 Cb -0.13 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 2q3s s LYS 8 CO 0.08 -0.29 -0.27 -0.06 -0.36 0.00 0.00 175.35 174.46 2q3s s PHE 9 N 0.27 2.29 0.25 4.03 0.08 -0.67 -4.99 117.98 119.23 2q3s s PHE 9 Ca 0.58 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 57.23 2q3s s PHE 9 Cb -0.37 -1.27 0.05 0.00 -0.57 0.00 0.00 43.02 40.87 2q3s s PHE 9 CO 0.37 0.29 0.34 1.17 -0.10 0.00 0.00 175.22 177.28 2q3s n LYS 10 N 1.10 0.27 -0.10 0.44 4.81 -1.26 -0.50 118.16 122.92 2q3s n LYS 10 Ca -0.18 -0.84 0.08 0.00 -0.87 0.00 0.00 58.31 56.50 2q3s n LYS 10 Cb 0.53 -0.25 0.13 0.00 0.02 0.00 0.00 35.03 35.46 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 -1.96 0.38 0.49 3.15 -2.24 -1.26 -4.88 114.28 107.96 2q3s n THR 12 Ca 0.05 -0.69 0.06 0.00 -2.27 0.00 0.00 64.05 61.20 2q3s n THR 12 Cb 0.19 1.03 0.02 0.00 -2.10 0.00 0.00 70.33 69.46 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 0.96 1.52 0.00 3.42 3.85 -1.26 -4.99 116.55 120.05 2q3s n ASP 13 Ca 0.12 -1.26 0.00 0.00 -0.71 0.00 0.00 54.79 52.95 2q3s n ASP 13 Cb 0.45 0.31 0.00 0.00 -1.35 0.00 0.00 41.12 40.53 2q3s n ASP 13 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2q3s n GLY 14 N 0.84 1.83 3.71 6.12 0.00 -1.26 -5.09 105.19 111.35 2q3s n GLY 14 Ca 0.05 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.46 3.93 -0.27 1.61 1.04 -1.26 -5.01 113.70 113.27 2q3s s SER 15 Ca 0.00 2.28 0.03 0.00 0.48 0.00 0.00 55.95 58.74 2q3s s SER 15 Cb 0.00 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.60 2q3s s SER 15 CO 0.00 -2.44 -0.08 -0.31 0.98 0.00 0.00 173.24 171.39 2q3s s TYR 16 N -2.20 3.33 -0.12 5.02 1.51 -1.26 -4.53 117.35 119.09 2q3s s TYR 16 Ca 0.72 -2.38 -0.29 0.00 -1.01 0.00 0.00 57.07 54.10 2q3s s TYR 16 Cb -0.27 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.50 2q3s s TYR 16 CO 0.49 -0.88 1.19 0.08 -1.11 0.00 0.00 175.55 175.31 2q3s s VAL 17 N 1.09 4.37 0.01 0.71 1.01 0.34 -4.90 120.40 123.02 2q3s s VAL 17 Ca -0.06 1.67 -0.10 0.00 0.00 0.00 0.00 61.98 63.48 2q3s s VAL 17 Cb -0.20 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2q3s s VAL 17 CO -0.05 -0.08 0.33 -1.10 0.00 0.00 0.00 175.10 174.21 2q3s s GLN 18 N 2.81 3.73 0.37 2.72 -0.21 -0.51 -1.68 119.66 126.88 2q3s s GLN 18 Ca 0.53 0.15 0.07 0.00 0.02 0.00 0.00 55.36 56.13 2q3s s GLN 18 Cb -0.22 -3.12 -0.03 0.00 1.00 0.00 0.00 33.01 30.65 2q3s s GLN 18 CO 0.17 0.66 0.24 0.99 -2.12 0.00 0.00 175.29 175.23 2q3s s THR 19 N -1.21 0.15 -0.29 -0.19 2.01 -1.26 -1.72 115.64 113.13 2q3s s THR 19 Ca 0.26 -2.00 -0.14 0.00 0.31 0.00 0.00 61.69 60.12 2q3s s THR 19 Cb -0.14 -2.43 0.11 0.00 0.01 0.00 0.00 72.50 70.04 2q3s s THR 19 CO 0.14 0.00 0.72 -0.75 -0.69 0.00 0.00 174.62 174.04 2q3s s LYS 20 N -3.48 0.62 -0.08 4.92 2.47 0.12 -2.25 119.74 122.06 2q3s s LYS 20 Ca 0.35 1.21 0.00 0.00 -1.56 0.00 0.00 55.97 55.97 2q3s s LYS 20 Cb 0.02 0.35 -0.03 0.00 -1.46 0.00 0.00 37.83 36.71 2q3s s LYS 20 CO 0.25 -0.15 -0.07 0.99 0.16 0.00 0.00 175.35 176.52 2q3s s THR 21 N 2.00 3.70 -0.02 3.43 2.01 -1.26 -0.08 115.64 125.41 2q3s s THR 21 Ca -0.08 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 61.44 2q3s s THR 21 Cb -0.07 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 69.94 2q3s s THR 21 CO -0.19 0.58 0.04 -0.63 -0.69 0.00 0.00 174.62 173.73 2q3s s ILE 22 N -0.60 -0.06 -0.16 1.82 1.01 0.36 -4.88 121.20 118.69 2q3s s ILE 22 Ca 0.09 0.23 -0.17 0.00 0.00 0.00 0.00 60.65 60.80 2q3s s ILE 22 Cb -0.12 -0.09 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 2q3s s ILE 22 CO 0.02 0.10 0.46 -0.62 0.00 0.00 0.00 174.94 174.89 2q3s s ASP 23 N 1.17 6.59 -0.37 3.58 -1.08 -1.26 0.61 116.67 125.90 2q3s s ASP 23 Ca -0.08 0.70 -0.13 0.00 -0.52 0.00 0.00 52.55 52.52 2q3s s ASP 23 Cb -0.13 -2.27 0.01 0.00 -1.46 0.00 0.00 42.92 39.07 2q3s s ASP 23 CO -0.03 -0.05 0.24 -0.69 0.52 0.00 0.00 175.17 175.15 2q3s s VAL 24 N 1.01 5.00 0.00 1.11 1.01 0.32 -4.88 120.40 123.97 2q3s s VAL 24 Ca 0.23 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2q3s s VAL 24 Cb -0.15 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2q3s s VAL 24 CO 0.09 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2q3s n GLY 25 N 5.08 1.74 1.99 4.51 0.00 -1.26 -3.24 105.19 114.01 2q3s n GLY 25 Ca -0.12 -1.72 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 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 5.02 -0.25 1.61 3.41 -1.26 -4.50 113.62 117.65 2q3s n SER 26 Ca 0.00 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.87 2q3s n SER 26 Cb 0.00 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 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 -1.00 0.00 -3.94 4.04 7.64 -1.26 -4.89 113.62 114.21 2q3s n SER 27 Ca 0.52 -0.51 -0.27 0.00 1.01 0.00 0.00 58.87 59.62 2q3s n SER 27 Cb 1.06 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 64.45 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 0.00 0.00 -3.24 0.44 -1.04 -1.26 -5.08 114.28 104.10 2q3s n THR 28 Ca 0.00 -1.04 -0.24 0.00 -2.04 0.00 0.00 64.05 60.73 2q3s n THR 28 Cb 0.26 -1.43 -0.07 0.00 -1.82 0.00 0.00 70.33 67.26 2q3s n THR 28 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2q3s n ASP 29 N -3.69 -0.38 0.16 8.00 4.64 -1.26 -4.95 116.55 119.08 2q3s n ASP 29 Ca 0.16 -2.59 0.12 0.00 -1.38 0.00 0.00 54.79 51.10 2q3s n ASP 29 Cb 0.56 -0.40 0.59 0.00 -1.04 0.00 0.00 41.12 40.83 2q3s n ASP 29 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 2q3s h ILE 30 N 3.24 0.00 -0.78 5.18 3.07 -1.98 -3.25 117.51 122.99 2q3s h ILE 30 Ca 0.14 -0.11 0.15 0.00 1.55 0.00 0.00 64.86 66.59 2q3s h ILE 30 Cb 0.91 0.73 -0.10 0.00 -0.27 0.00 0.00 36.82 38.09 2q3s h ILE 30 CO 0.40 0.00 0.32 -1.28 -1.05 0.00 0.00 178.15 176.54 2q3s h SER 31 N 0.00 0.30 -0.44 2.16 0.87 -1.95 -0.99 113.55 113.51 2q3s h SER 31 Ca 0.00 0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.75 2q3s h SER 31 Cb 0.16 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.13 2q3s h SER 31 CO 0.00 0.11 -0.02 -0.65 -0.53 0.00 0.00 176.83 175.73 2q3s h PRO 32 N 0.46 0.08 -0.41 2.24 0.11 -1.99 0.15 132.00 132.64 2q3s h PRO 32 Ca 0.43 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.49 2q3s h PRO 32 Cb 0.67 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 2q3s h PRO 32 CO -0.41 0.05 0.04 1.88 -0.21 0.00 0.00 178.00 179.35 2q3s h TYR 33 N 0.09 0.66 0.00 0.65 0.05 -1.53 0.28 116.97 117.16 2q3s h TYR 33 Ca 0.22 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.86 2q3s h TYR 33 Cb 0.32 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 2q3s h TYR 33 CO -0.30 0.61 -0.33 -0.07 -1.05 0.00 0.00 178.16 177.01 2q3s h LEU 34 N 0.61 0.00 0.00 3.88 3.38 -0.29 0.18 115.31 123.07 2q3s h LEU 34 Ca 0.13 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 2q3s h LEU 34 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2q3s h LEU 34 CO 0.01 0.33 -0.78 0.28 0.09 0.00 0.00 178.44 178.36 2q3s h SER 35 N 0.00 0.00 0.25 -0.43 0.02 0.78 -1.10 113.55 113.07 2q3s h SER 35 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2q3s h SER 35 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2q3s h SER 35 CO 0.04 0.52 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.07 2q3s h LEU 36 N 0.00 -0.28 -0.91 5.07 3.38 -0.62 -1.25 115.31 120.70 2q3s h LEU 36 Ca -0.05 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 57.96 2q3s h LEU 36 Cb 1.44 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 42.13 2q3s h LEU 36 CO 0.06 0.20 -0.48 0.40 0.09 0.00 0.00 178.44 178.71 2q3s h ILE 37 N -1.06 0.02 -0.71 1.22 1.08 -1.07 1.29 117.51 118.27 2q3s h ILE 37 Ca -0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 2q3s h ILE 37 Cb 0.34 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.07 2q3s h ILE 37 CO 0.06 0.00 0.38 -0.09 -0.69 0.00 0.00 178.15 177.80 2q3s h ARG 38 N -0.05 0.99 -0.53 2.37 2.43 -1.29 0.19 114.38 118.49 2q3s h ARG 38 Ca 0.24 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 2q3s h ARG 38 Cb 0.52 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2q3s h ARG 38 CO -0.91 0.74 -0.04 1.49 -1.51 0.00 0.00 179.97 179.74 2q3s h GLU 39 N 1.00 0.96 -0.40 0.20 4.81 0.15 -1.95 114.58 119.35 2q3s h GLU 39 Ca 0.25 -0.33 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 2q3s h GLU 39 Cb 0.04 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2q3s h GLU 39 CO -0.04 0.99 -0.16 0.22 -0.73 0.00 0.00 179.01 179.29 2q3s h ASP 40 N 0.83 0.83 0.42 1.04 3.58 0.22 -2.32 116.42 121.03 2q3s h ASP 40 Ca 0.15 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 2q3s h ASP 40 Cb 0.58 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 2q3s h ASP 40 CO 0.03 1.04 -0.50 -1.28 -2.88 0.00 0.00 179.24 175.65 2q3s h SER 41 N 0.63 -1.41 -0.60 2.28 0.87 -0.47 1.27 113.55 116.11 2q3s h SER 41 Ca 0.09 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 2q3s h SER 41 Cb 0.71 0.48 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 2q3s h SER 41 CO 0.05 -0.64 0.38 0.40 -0.53 0.00 0.00 176.83 176.49 2q3s h ILE 42 N -0.95 1.10 0.00 2.23 2.04 -1.43 0.89 117.51 121.39 2q3s h ILE 42 Ca -0.05 -0.26 -0.24 0.00 1.00 0.00 0.00 64.86 65.31 2q3s h ILE 42 Cb 0.84 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 2q3s h ILE 42 CO -0.11 0.14 -1.36 -0.07 0.00 0.00 0.00 178.15 176.76 2q3s h LEU 43 N 0.76 0.00 0.00 1.44 3.38 -1.25 -3.40 115.31 116.24 2q3s h LEU 43 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2q3s h LEU 43 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2q3s h LEU 43 CO -0.08 0.92 -0.88 0.59 0.09 0.00 0.00 178.44 179.08 2q3s n ASN 44 N -3.14 4.41 -0.47 -0.43 5.03 0.42 -4.77 115.26 116.31 2q3s n ASN 44 Ca -0.09 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.42 2q3s n ASN 44 Cb 0.97 0.69 0.15 0.00 -1.02 0.00 0.00 39.78 40.58 2q3s n ASN 44 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2q3s n GLY 45 N 2.42 3.69 3.63 7.41 0.00 0.19 -4.92 105.19 117.62 2q3s n GLY 45 Ca 0.00 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.45 -5.18 -2.44 1.61 4.13 0.22 -2.91 115.26 110.24 2q3s n ASN 46 Ca 0.13 -0.61 -0.18 0.00 1.68 0.00 0.00 54.58 55.61 2q3s n ASN 46 Cb 0.59 -4.81 0.03 0.00 -1.54 0.00 0.00 39.78 34.04 2q3s n ASN 46 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2q3s n ARG 47 N -4.78 -3.78 -4.58 3.52 1.74 0.24 -4.88 116.66 104.14 2q3s n ARG 47 Ca -0.05 0.75 -0.27 0.00 -0.77 0.00 0.00 57.85 57.51 2q3s n ARG 47 Cb 0.58 -5.25 -0.11 0.00 -1.02 0.00 0.00 32.46 26.66 2q3s n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2q3s s ALA 48 N -3.04 3.04 -0.41 7.54 0.00 -1.15 -1.50 121.76 126.24 2q3s s ALA 48 Ca 0.23 -2.18 0.06 0.00 0.00 0.00 0.00 51.96 50.06 2q3s s ALA 48 Cb -0.10 0.05 0.18 0.00 0.00 0.00 0.00 23.12 23.25 2q3s s ALA 48 CO 0.28 -0.00 0.69 0.08 0.00 0.00 0.00 175.76 176.81 2q3s s VAL 49 N -2.65 -0.91 -0.54 0.00 1.01 -1.12 -4.60 120.40 111.59 2q3s s VAL 49 Ca 0.34 -0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 2q3s s VAL 49 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 36.38 36.40 2q3s s VAL 49 CO 0.17 0.00 1.99 -0.63 0.00 0.00 0.00 175.10 176.63 2q3s s ILE 50 N 1.75 3.28 0.09 2.22 1.09 -0.53 -1.85 121.20 127.25 2q3s s ILE 50 Ca 0.17 0.19 0.04 0.00 -1.10 0.00 0.00 60.65 59.96 2q3s s ILE 50 Cb -0.03 -3.67 -0.04 0.00 -1.06 0.00 0.00 42.46 37.67 2q3s s ILE 50 CO -0.08 -0.61 0.02 0.72 -0.10 0.00 0.00 174.94 174.89 2q3s s PHE 51 N 9.49 3.05 0.09 3.97 -0.12 0.41 -2.00 117.98 132.86 2q3s s PHE 51 Ca 0.77 0.00 0.03 0.00 -0.05 0.00 0.00 56.93 57.68 2q3s s PHE 51 Cb -0.15 -1.56 -0.04 0.00 -0.63 0.00 0.00 43.02 40.64 2q3s s PHE 51 CO 0.24 0.49 -0.09 0.34 -0.05 0.00 0.00 175.22 176.16 2q3s s ASP 52 N -2.36 1.25 0.02 1.98 3.68 0.12 -4.02 116.67 117.34 2q3s s ASP 52 Ca 0.27 -0.83 0.02 0.00 2.13 0.00 0.00 52.55 54.14 2q3s s ASP 52 Cb -0.12 0.04 -0.01 0.00 -1.45 0.00 0.00 42.92 41.38 2q3s s ASP 52 CO 0.19 -0.32 -0.07 0.68 0.13 0.00 0.00 175.17 175.79 2q3s s VAL 53 N -2.66 0.51 0.00 1.11 -7.23 -1.26 0.45 120.40 111.32 2q3s s VAL 53 Ca 0.05 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.63 2q3s s VAL 53 Cb -0.01 -0.49 -0.01 0.00 0.56 0.00 0.00 36.38 36.43 2q3s s VAL 53 CO -0.01 -0.08 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.36 2q3s s TYR 54 N -0.65 0.28 0.38 2.82 1.51 -0.80 -5.00 117.35 115.89 2q3s s TYR 54 Ca -0.03 -0.14 0.08 0.00 -1.01 0.00 0.00 57.07 55.97 2q3s s TYR 54 Cb -0.05 -0.18 -0.06 0.00 -0.11 0.00 0.00 41.96 41.55 2q3s s TYR 54 CO 0.00 -0.03 0.04 -1.58 -1.11 0.00 0.00 175.55 172.87 2q3s s TRP 55 N -0.34 2.53 -0.21 2.71 0.52 -1.26 -2.30 118.94 120.59 2q3s s TRP 55 Ca -0.02 -0.56 -0.06 0.00 0.02 0.00 0.00 56.10 55.48 2q3s s TRP 55 Cb -0.03 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 2q3s s TRP 55 CO -0.00 0.41 0.04 0.34 0.02 0.00 0.00 176.95 177.76 2q3s s ASP 56 N -3.74 5.12 -1.19 2.95 2.15 -0.12 -4.69 116.67 117.15 2q3s s ASP 56 Ca 0.36 -0.14 -0.12 0.00 0.43 0.00 0.00 52.55 53.08 2q3s s ASP 56 Cb 0.05 -1.89 0.20 0.00 -0.30 0.00 0.00 42.92 40.97 2q3s s ASP 56 CO 0.19 0.05 1.38 0.52 -0.17 0.00 0.00 175.17 177.15 2q3s n VAL 57 N 4.34 4.34 -2.75 1.11 0.31 -1.26 -0.24 118.33 124.18 2q3s n VAL 57 Ca -0.17 -4.88 -0.40 0.00 -0.01 0.00 0.00 64.34 58.88 2q3s n VAL 57 Cb 0.52 -2.49 -0.05 0.00 -0.91 0.00 0.00 33.84 30.91 2q3s n VAL 57 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2q3s s GLY 58 N 2.35 3.07 -0.45 2.92 0.00 -1.25 -4.94 107.32 109.03 2q3s s GLY 58 Ca 0.40 0.60 -0.29 0.00 0.00 0.00 0.00 44.72 45.43 2q3s s GLY 58 CO -0.01 1.28 1.12 -1.36 0.00 0.00 0.00 173.10 174.12 2q3s s PHE 59 N -0.76 2.87 0.00 1.90 2.99 -1.26 -4.03 117.98 119.70 2q3s s PHE 59 Ca 0.43 0.77 0.00 0.00 0.00 0.00 0.00 56.93 58.13 2q3s s PHE 59 Cb -0.25 -4.30 0.00 0.00 0.00 0.00 0.00 43.02 38.47 2q3s s PHE 59 CO 0.31 -1.19 0.00 0.25 -0.00 0.00 0.00 175.22 174.59 2q3s n THR 66 N 6.68 0.00 0.00 0.64 -2.24 -1.26 -4.86 114.28 113.23 2q3s n THR 66 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2q3s n THR 66 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.00 -0.00 -0.78 4.76 -1.26 -4.95 118.16 115.93 2q3s n LYS 67 Ca 0.00 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.53 2q3s n LYS 67 Cb 0.00 -0.22 -0.12 0.00 -1.84 0.00 0.00 35.03 32.85 2q3s n LYS 67 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2q3s n THR 68 N -1.02 0.00 0.78 -0.18 -2.24 -1.26 -4.53 114.28 105.84 2q3s n THR 68 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2q3s n THR 68 Cb 0.00 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2q3s n THR 68 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2q3s n SER 69 N -1.69 0.54 -0.03 3.42 2.88 -1.26 -2.85 113.62 114.62 2q3s n SER 69 Ca 0.01 -1.32 0.04 0.00 -1.33 0.00 0.00 58.87 56.27 2q3s n SER 69 Cb 0.36 -0.27 -0.14 0.00 -0.75 0.00 0.00 64.21 63.40 2q3s n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2q3s n GLY 70 N 0.17 -0.87 3.47 0.46 0.00 -1.26 -4.94 105.19 102.22 2q3s n GLY 70 Ca 0.00 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.07 1.21 -0.21 1.61 0.52 -1.13 -3.81 118.94 114.06 2q3s s TRP 71 Ca -0.07 1.09 -0.08 0.00 0.02 0.00 0.00 56.10 57.06 2q3s s TRP 71 Cb 0.10 -3.08 0.09 0.00 -1.15 0.00 0.00 33.47 29.44 2q3s s TRP 71 CO 0.77 -4.02 0.47 -1.54 0.02 0.00 0.00 176.95 172.65 2q3s s SER 72 N -2.58 -0.47 -0.76 2.95 1.04 0.66 -4.82 113.70 109.72 2q3s s SER 72 Ca 0.69 1.10 -0.24 0.00 0.48 0.00 0.00 55.95 57.98 2q3s s SER 72 Cb -0.24 1.42 -0.16 0.00 0.10 0.00 0.00 66.02 67.14 2q3s s SER 72 CO 0.64 -0.22 2.42 -0.11 0.98 0.00 0.00 173.24 176.94 2q3s n LEU 73 N 5.18 1.22 0.03 2.42 7.94 -1.26 -0.94 117.00 131.59 2q3s n LEU 73 Ca -0.12 -0.79 0.14 0.00 -1.11 0.00 0.00 56.01 54.13 2q3s n LEU 73 Cb 0.51 -1.35 0.51 0.00 0.53 0.00 0.00 43.42 43.62 2q3s n LEU 73 CO 0.00 -1.84 0.88 -1.54 -1.11 0.00 0.00 177.39 173.79 2q3s n SER 74 N 14.55 0.31 -3.64 1.96 3.41 -0.97 -4.63 113.62 124.61 2q3s n SER 74 Ca 0.50 0.46 -0.03 0.00 -0.26 0.00 0.00 58.87 59.54 2q3s n SER 74 Cb 0.36 -0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.76 2q3s n SER 74 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2q3s s SER 75 N -3.52 -0.06 0.11 4.04 1.04 -1.17 0.19 113.70 114.34 2q3s s SER 75 Ca 0.12 0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.64 2q3s s SER 75 Cb 0.17 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 2q3s s SER 75 CO 0.57 -0.06 -0.11 -0.69 0.98 0.00 0.00 173.24 173.93 2q3s s VAL 76 N -1.35 1.06 -0.17 5.02 1.01 -0.89 -1.91 120.40 123.17 2q3s s VAL 76 Ca 0.09 -1.77 -0.01 0.00 0.00 0.00 0.00 61.98 60.29 2q3s s VAL 76 Cb -0.01 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 2q3s s VAL 76 CO -0.06 -0.59 -0.13 -0.75 0.00 0.00 0.00 175.10 173.56 2q3s s LYS 77 N -3.05 3.24 -0.23 2.72 2.20 0.17 -1.90 119.74 122.89 2q3s s LYS 77 Ca 0.09 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 54.99 2q3s s LYS 77 Cb -0.02 -2.70 0.04 0.00 -1.51 0.00 0.00 37.83 33.65 2q3s s LYS 77 CO 0.01 -0.03 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.32 2q3s s LEU 78 N 0.95 2.92 0.14 5.43 1.43 -0.69 0.13 118.68 128.99 2q3s s LEU 78 Ca -0.02 -1.03 0.10 0.00 -1.03 0.00 0.00 54.13 52.15 2q3s s LEU 78 Cb -0.15 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2q3s s LEU 78 CO -0.02 -0.11 -0.24 -0.44 0.23 0.00 0.00 176.35 175.78 2q3s s SER 79 N 1.21 3.51 0.28 2.29 0.01 -0.85 -1.12 113.70 119.04 2q3s s SER 79 Ca -0.02 -0.71 0.02 0.00 1.31 0.00 0.00 55.95 56.55 2q3s s SER 79 Cb -0.17 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.69 2q3s s SER 79 CO -0.08 0.17 0.13 0.42 0.41 0.00 0.00 173.24 174.29 2q3s s THR 80 N -1.19 0.42 0.19 1.44 -4.23 0.42 -1.45 115.64 111.24 2q3s s THR 80 Ca 0.16 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 2q3s s THR 80 Cb -0.10 -2.56 0.16 0.00 1.34 0.00 0.00 72.50 71.35 2q3s s THR 80 CO 0.08 0.00 1.61 -0.09 -0.54 0.00 0.00 174.62 175.68 2q3s h ARG 81 N 2.29 -0.10 0.00 3.99 9.65 -1.91 -3.07 114.38 125.23 2q3s h ARG 81 Ca -0.36 0.01 -0.20 0.00 -1.10 0.00 0.00 59.98 58.33 2q3s h ARG 81 Cb 1.25 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.82 2q3s h ARG 81 CO 0.56 -0.06 -1.18 -0.91 2.80 0.00 0.00 179.97 181.18 2q3s h ASN 82 N -0.10 0.00 -2.81 -3.80 2.35 -1.93 -3.45 115.58 105.84 2q3s h ASN 82 Ca 0.25 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.46 2q3s h ASN 82 Cb 0.50 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.72 2q3s h ASN 82 CO -0.62 0.82 -0.76 -0.76 -1.65 0.00 0.00 177.43 174.46 2q3s s LEU 83 N -6.31 2.55 -0.12 1.61 1.43 -1.16 -1.43 118.68 115.24 2q3s s LEU 83 Ca -0.01 -0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 52.06 2q3s s LEU 83 Cb 0.09 -0.91 0.06 0.00 0.03 0.00 0.00 46.19 45.46 2q3s s LEU 83 CO 0.81 -0.04 0.23 0.00 0.23 0.00 0.00 176.35 177.58 2q3s s LEU 85 N 2.38 2.75 -0.17 0.00 2.96 -0.28 0.14 118.68 126.47 2q3s s LEU 85 Ca 0.02 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2q3s s LEU 85 Cb -0.12 -1.59 0.03 0.00 0.50 0.00 0.00 46.19 45.00 2q3s s LEU 85 CO -0.08 0.25 -0.14 0.12 -1.32 0.00 0.00 176.35 175.18 2q3s s PHE 86 N -0.17 2.35 -0.34 5.38 2.19 0.88 -1.71 117.98 126.58 2q3s s PHE 86 Ca -0.00 -1.41 -0.09 0.00 0.33 0.00 0.00 56.93 55.75 2q3s s PHE 86 Cb -0.13 -1.66 0.01 0.00 -1.31 0.00 0.00 43.02 39.93 2q3s s PHE 86 CO 0.03 -0.72 0.16 -0.51 1.83 0.00 0.00 175.22 176.01 2q3s s LEU 87 N 1.42 4.32 -0.09 6.12 1.43 -0.80 0.13 118.68 131.21 2q3s s LEU 87 Ca 0.03 -0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 52.11 2q3s s LEU 87 Cb -0.14 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 2q3s s LEU 87 CO -0.10 -0.28 0.65 -0.13 0.23 0.00 0.00 176.35 176.72 2q3s s ARG 88 N 1.55 4.39 0.24 1.70 0.52 0.20 -2.09 118.95 125.46 2q3s s ARG 88 Ca 0.03 0.76 0.09 0.00 -0.52 0.00 0.00 55.73 56.09 2q3s s ARG 88 Cb -0.18 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 2q3s s ARG 88 CO 0.05 0.04 0.02 -0.51 0.02 0.00 0.00 175.30 174.92 2q3s s LEU 89 N 0.92 3.30 0.00 2.53 1.43 0.49 0.12 118.68 127.48 2q3s s LEU 89 Ca 0.34 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2q3s s LEU 89 Cb -0.17 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.18 2q3s s LEU 89 CO 0.15 0.02 0.00 -0.81 0.23 0.00 0.00 176.35 175.95 2q3s n PRO 90 N -0.68 1.23 -3.66 1.29 -0.04 -1.20 -4.75 135.00 127.19 2q3s n PRO 90 Ca -0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.30 2q3s n PRO 90 Cb 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.94 2q3s n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2q3s s LYS 91 N -1.16 0.35 0.97 0.54 2.20 -1.26 -4.51 119.74 116.87 2q3s s LYS 91 Ca 0.00 1.01 -0.15 0.00 -0.36 0.00 0.00 55.97 56.46 2q3s s LYS 91 Cb 0.00 0.28 0.19 0.00 -1.51 0.00 0.00 37.83 36.79 2q3s s LYS 91 CO 0.00 -0.23 1.23 -1.25 -0.36 0.00 0.00 175.35 174.74 2q3s s PRO 92 N 2.39 0.59 -0.09 4.03 0.04 -1.26 -5.13 135.00 135.57 2q3s s PRO 92 Ca -0.03 -0.16 -0.27 0.00 0.04 0.00 0.00 61.00 60.58 2q3s s PRO 92 Cb -0.11 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 2q3s s PRO 92 CO -0.13 -2.49 0.86 -0.06 0.04 0.00 0.00 177.00 175.23 2q3s s PHE 93 N -3.59 3.54 0.59 0.56 0.40 -1.26 -5.08 117.98 113.14 2q3s s PHE 93 Ca 0.70 1.42 0.01 0.00 -0.60 0.00 0.00 56.93 58.46 2q3s s PHE 93 Cb -0.08 -3.01 0.06 0.00 0.51 0.00 0.00 43.02 40.50 2q3s s PHE 93 CO 0.53 -0.10 0.83 -1.01 0.70 0.00 0.00 175.22 176.17 2q3s s HIS 94 N 1.50 2.47 -1.19 0.36 3.76 -1.26 -5.00 115.29 115.93 2q3s s HIS 94 Ca 0.43 -0.12 0.11 0.00 -0.15 0.00 0.00 55.06 55.33 2q3s s HIS 94 Cb -0.18 -2.78 0.50 0.00 1.11 0.00 0.00 32.58 31.23 2q3s s HIS 94 CO 0.19 -1.09 1.30 -0.25 -0.85 0.00 0.00 174.74 174.04 2q3s n ASP 95 N -2.45 0.00 0.00 1.40 8.00 -1.26 -2.31 116.55 119.93 2q3s n ASP 95 Ca 0.10 0.34 0.08 0.00 0.71 0.00 0.00 54.79 56.01 2q3s n ASP 95 Cb 0.60 -0.41 0.39 0.00 -0.02 0.00 0.00 41.12 41.69 2q3s n ASP 95 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2q3s n ASN 96 N -1.41 0.00 -0.61 -2.24 6.94 -1.26 -2.23 115.26 114.45 2q3s n ASN 96 Ca 0.04 0.01 0.07 0.00 -0.02 0.00 0.00 54.58 54.67 2q3s n ASN 96 Cb 0.11 -0.26 0.21 0.00 -2.36 0.00 0.00 39.78 37.48 2q3s n ASN 96 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2q3s n LEU 97 N -1.26 1.79 0.13 -4.53 4.77 -0.98 -4.22 117.00 112.70 2q3s n LEU 97 Ca 0.08 -0.86 -0.13 0.00 -0.03 0.00 0.00 56.01 55.06 2q3s n LEU 97 Cb 0.11 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 2q3s n LEU 97 CO 0.11 0.43 0.54 0.11 -1.33 0.00 0.00 177.39 177.26 2q3s h LYS 98 N 2.04 -0.33 -0.44 3.23 1.57 -1.72 -3.09 116.57 117.83 2q3s h LYS 98 Ca 0.00 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2q3s h LYS 98 Cb 0.46 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 2q3s h LYS 98 CO 0.00 0.01 -0.21 -0.25 -0.57 0.00 0.00 179.45 178.43 2q3s n ASP 99 N -5.08 -0.37 -0.12 0.86 8.00 -1.26 -0.00 116.55 118.57 2q3s n ASP 99 Ca -0.09 0.77 -0.10 0.00 0.71 0.00 0.00 54.79 56.08 2q3s n ASP 99 Cb 0.26 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 2q3s n ASP 99 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2q3s h LEU 100 N 0.00 0.54 -1.51 0.64 5.85 -1.86 0.25 115.31 119.22 2q3s h LEU 100 Ca 0.11 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2q3s h LEU 100 Cb 0.22 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2q3s h LEU 100 CO -0.42 0.61 0.20 1.88 -0.34 0.00 0.00 178.44 180.36 2q3s h TYR 101 N 0.44 0.51 0.00 1.25 0.05 -0.34 1.98 116.97 120.86 2q3s h TYR 101 Ca 0.12 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 2q3s h TYR 101 Cb 0.26 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.84 2q3s h TYR 101 CO 0.01 0.37 -0.15 0.00 -1.05 0.00 0.00 178.16 177.34 2q3s h ARG 102 N 0.53 0.10 -0.11 4.88 3.08 -0.44 -3.21 114.38 119.21 2q3s h ARG 102 Ca 0.14 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.10 2q3s h ARG 102 Cb 0.04 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 2q3s h ARG 102 CO -0.02 0.89 -0.05 0.35 -1.07 0.00 0.00 179.97 180.07 2q3s h PHE 103 N -0.64 -0.11 0.00 3.04 3.57 0.14 -1.30 116.94 121.64 2q3s h PHE 103 Ca -0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2q3s h PHE 103 Cb 0.94 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2q3s h PHE 103 CO 0.20 -0.08 0.00 0.74 -2.23 0.00 0.00 178.31 176.94 2q3s h PHE 104 N -0.04 0.00 -0.33 0.41 0.05 0.30 0.23 116.94 117.57 2q3s h PHE 104 Ca 0.06 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.85 2q3s h PHE 104 Cb 0.13 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.08 2q3s h PHE 104 CO -0.17 0.00 0.00 0.00 -0.18 0.00 0.00 178.31 177.96 2q3s n ALA 105 N -2.02 2.46 -1.77 2.45 0.00 -0.50 -3.95 120.51 117.18 2q3s n ALA 105 Ca -0.02 -0.71 -0.38 0.00 0.00 0.00 0.00 53.44 52.32 2q3s n ALA 105 Cb 0.08 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.31 6.46 -0.00 0.00 0.15 0.80 -4.57 113.70 115.23 2q3s s SER 106 Ca 0.32 2.37 0.18 0.00 0.70 0.00 0.00 55.95 59.52 2q3s s SER 106 Cb 0.17 -2.61 0.51 0.00 -1.71 0.00 0.00 66.02 62.38 2q3s s SER 106 CO 0.25 -0.72 1.42 0.29 1.20 0.00 0.00 173.24 175.68 2q3s n LYS 107 N 0.00 2.80 0.12 5.44 5.02 -1.26 -4.28 118.16 126.01 2q3s n LYS 107 Ca 0.05 -2.42 -0.02 0.00 -2.02 0.00 0.00 58.31 53.89 2q3s n LYS 107 Cb 0.46 -1.45 0.17 0.00 -0.02 0.00 0.00 35.03 34.20 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 3.36 0.11 -3.95 2.13 0.04 -1.96 -3.46 116.94 113.21 2q3s h PHE 108 Ca 0.00 -0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 2q3s h PHE 108 Cb 0.89 -0.02 -0.13 0.00 2.20 0.00 0.00 35.95 38.89 2q3s h PHE 108 CO 0.39 0.65 -0.38 0.14 -0.60 0.00 0.00 178.31 178.51 2q3s s VAL 109 N -3.74 0.08 -0.16 -0.55 -7.23 -1.26 -4.88 120.40 102.67 2q3s s VAL 109 Ca -0.02 -1.44 -0.07 0.00 -1.81 0.00 0.00 61.98 58.64 2q3s s VAL 109 Cb 0.13 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 2q3s s VAL 109 CO 0.77 -0.38 0.09 -0.89 -0.31 0.00 0.00 175.10 174.39 2q3s s THR 110 N -3.96 5.05 -0.25 5.32 2.01 -0.56 -4.84 115.64 118.40 2q3s s THR 110 Ca 0.16 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.01 2q3s s THR 110 Cb 0.04 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 2q3s s THR 110 CO -0.01 0.52 0.62 -0.36 -0.69 0.00 0.00 174.62 174.70 2q3s s PHE 111 N -0.20 3.28 -0.19 4.92 0.08 -0.93 -2.81 117.98 122.14 2q3s s PHE 111 Ca 0.09 0.80 -0.02 0.00 0.12 0.00 0.00 56.93 57.92 2q3s s PHE 111 Cb -0.12 -2.83 -0.00 0.00 -0.57 0.00 0.00 43.02 39.50 2q3s s PHE 111 CO 0.01 -0.32 -0.10 0.08 -0.10 0.00 0.00 175.22 174.79 2q3s s VAL 112 N 2.48 3.02 0.25 -0.44 1.01 -0.77 -2.75 120.40 123.20 2q3s s VAL 112 Ca 0.26 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2q3s s VAL 112 Cb -0.15 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2q3s s VAL 112 CO 0.08 0.47 0.14 -0.83 0.00 0.00 0.00 175.10 174.96 2q3s s GLY 113 N 1.17 1.74 -0.06 4.51 0.00 -1.24 0.16 107.32 113.60 2q3s s GLY 113 Ca 0.02 -1.79 0.03 0.00 0.00 0.00 0.00 44.72 42.97 2q3s s GLY 113 CO -0.03 -1.51 -0.12 0.14 0.00 0.00 0.00 173.10 171.58 2q3s s VAL 114 N -3.86 3.26 -0.48 1.40 1.01 -1.26 -1.92 120.40 118.55 2q3s s VAL 114 Ca 0.38 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 2q3s s VAL 114 Cb 0.06 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2q3s s VAL 114 CO 0.15 0.59 0.33 0.00 0.00 0.00 0.00 175.10 176.17 2q3s n GLN 115 N 2.35 -0.78 -0.17 2.72 1.13 -1.26 -4.87 117.38 116.49 2q3s n GLN 115 Ca -0.17 0.27 0.06 0.00 -1.94 0.00 0.00 57.00 55.21 2q3s n GLN 115 Cb 0.52 -1.11 0.16 0.00 0.11 0.00 0.00 30.24 29.92 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 -1.95 0.91 0.10 5.09 -5.35 -1.26 -4.65 119.36 112.24 2q3s n ILE 116 Ca -0.15 -0.96 -0.13 0.00 -0.27 0.00 0.00 62.75 61.24 2q3s n ILE 116 Cb 0.36 0.57 -0.08 0.00 -1.74 0.00 0.00 39.64 38.75 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 2.22 -0.16 -0.38 6.28 4.81 -1.99 0.46 114.58 125.81 2q3s h GLU 117 Ca 0.00 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 2q3s h GLU 117 Cb 0.73 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2q3s h GLU 117 CO 0.00 -0.07 -0.25 0.93 -0.73 0.00 0.00 179.01 178.88 2q3s h GLU 118 N -0.20 0.79 -0.65 1.92 4.39 -2.00 -2.72 114.58 116.11 2q3s h GLU 118 Ca -0.02 -0.33 0.02 0.00 0.34 0.00 0.00 59.36 59.37 2q3s h GLU 118 Cb 0.16 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 2q3s h GLU 118 CO 0.03 0.95 0.43 -0.44 -1.16 0.00 0.00 179.01 178.82 2q3s h ASP 119 N 0.68 0.70 -0.13 1.42 3.32 -1.65 -1.53 116.42 119.23 2q3s h ASP 119 Ca 0.09 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2q3s h ASP 119 Cb 0.78 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2q3s h ASP 119 CO 0.06 0.50 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.68 2q3s h LEU 120 N 0.82 0.65 -0.29 1.55 3.38 0.22 -2.14 115.31 119.51 2q3s h LEU 120 Ca 0.25 -0.26 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 2q3s h LEU 120 Cb -0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2q3s h LEU 120 CO -0.06 0.93 -0.60 0.44 0.09 0.00 0.00 178.44 179.24 2q3s h ASP 121 N 0.53 0.94 -0.30 -0.43 3.32 -1.43 -2.76 116.42 116.30 2q3s h ASP 121 Ca 0.06 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2q3s h ASP 121 Cb 0.82 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2q3s h ASP 121 CO 0.07 1.33 0.19 -0.07 -1.72 0.00 0.00 179.24 179.04 2q3s h LEU 122 N 0.62 0.33 0.07 1.55 3.38 -1.29 0.10 115.31 120.08 2q3s h LEU 122 Ca -0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2q3s h LEU 122 Cb 1.21 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 2q3s h LEU 122 CO 0.13 0.24 -0.47 -0.07 0.09 0.00 0.00 178.44 178.36 2q3s h LEU 123 N 0.39 -1.44 -0.67 1.67 3.38 -1.35 0.55 115.31 117.84 2q3s h LEU 123 Ca 0.11 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2q3s h LEU 123 Cb -0.04 0.54 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2q3s h LEU 123 CO -0.03 -0.49 0.35 -0.09 0.09 0.00 0.00 178.44 178.27 2q3s h ARG 124 N -0.65 0.95 -0.21 1.13 2.43 -1.16 0.16 114.38 117.03 2q3s h ARG 124 Ca -0.00 -0.12 -0.20 0.00 -0.81 0.00 0.00 59.98 58.84 2q3s h ARG 124 Cb 0.66 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2q3s h ARG 124 CO -0.28 0.73 -0.67 0.93 -1.51 0.00 0.00 179.97 179.18 2q3s h GLU 125 N 0.92 0.82 0.00 0.20 5.08 -0.59 -0.97 114.58 120.04 2q3s h GLU 125 Ca 0.23 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2q3s h GLU 125 Cb 0.08 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2q3s h GLU 125 CO -0.03 1.22 -1.32 0.09 -1.00 0.00 0.00 179.01 177.97 2q3s n ASN 126 N -3.99 0.50 0.00 1.42 4.13 0.19 -4.60 115.26 112.91 2q3s n ASN 126 Ca -0.06 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.08 2q3s n ASN 126 Cb 0.69 1.12 0.00 0.00 -1.54 0.00 0.00 39.78 40.05 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 -2.14 0.00 -1.89 3.10 8.25 -0.00 -5.01 115.22 117.53 2q3s n HIS 127 Ca -0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 2q3s n HIS 127 Cb 0.49 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 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 0.06 0.66 3.76 -1.41 0.00 -0.37 -4.95 105.19 102.95 2q3s n GLY 128 Ca 0.00 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.17 4.36 -0.04 0.99 0.20 -1.07 -4.89 118.68 114.05 2q3s s LEU 129 Ca 0.00 0.90 0.03 0.00 0.69 0.00 0.00 54.13 55.75 2q3s s LEU 129 Cb 0.00 -2.68 0.00 0.00 -0.43 0.00 0.00 46.19 43.08 2q3s s LEU 129 CO 0.00 0.12 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.36 2q3s s VAL 130 N -0.04 1.09 -0.56 1.68 1.01 -1.26 -2.32 120.40 120.00 2q3s s VAL 130 Ca 0.25 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2q3s s VAL 130 Cb -0.16 -0.96 0.15 0.00 0.00 0.00 0.00 36.38 35.41 2q3s s VAL 130 CO 0.12 0.33 0.35 -0.63 0.00 0.00 0.00 175.10 175.27 2q3s s ILE 131 N 0.15 3.37 0.39 2.22 1.01 -1.26 -3.69 121.20 123.39 2q3s s ILE 131 Ca -0.04 -2.88 0.06 0.00 0.00 0.00 0.00 60.65 57.79 2q3s s ILE 131 Cb -0.10 -3.24 0.27 0.00 0.01 0.00 0.00 42.46 39.39 2q3s s ILE 131 CO 0.01 -0.82 2.04 0.03 0.00 0.00 0.00 174.94 176.20 2q3s h ARG 132 N 7.09 0.62 -2.88 2.79 3.08 -1.81 -3.27 114.38 120.01 2q3s h ARG 132 Ca -0.05 -0.04 -0.63 0.00 0.07 0.00 0.00 59.98 59.34 2q3s h ARG 132 Cb 0.96 -0.14 -0.41 0.00 0.08 0.00 0.00 29.97 30.45 2q3s h ARG 132 CO 0.70 0.41 -0.51 -1.71 -1.07 0.00 0.00 179.97 177.79 2q3s n ASN 133 N -4.47 3.38 -4.21 7.04 4.05 -1.26 -5.05 115.26 114.74 2q3s n ASN 133 Ca 0.05 -3.27 -0.28 0.00 0.45 0.00 0.00 54.58 51.53 2q3s n ASN 133 Cb 0.08 -0.77 -0.16 0.00 1.23 0.00 0.00 39.78 40.16 2q3s n ASN 133 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2q3s s ALA 134 N -1.74 1.79 -0.05 5.20 0.00 -1.24 -2.18 121.76 123.54 2q3s s ALA 134 Ca 0.29 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2q3s s ALA 134 Cb 0.01 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2q3s s ALA 134 CO -0.12 0.38 -0.13 -1.50 0.00 0.00 0.00 175.76 174.39 2q3s s ILE 135 N -0.26 1.16 -0.64 0.00 2.07 -1.11 -5.00 121.20 117.42 2q3s s ILE 135 Ca 0.02 -0.52 -0.25 0.00 -1.41 0.00 0.00 60.65 58.49 2q3s s ILE 135 Cb -0.11 -1.03 0.05 0.00 0.13 0.00 0.00 42.46 41.50 2q3s s ILE 135 CO 0.01 0.35 1.07 0.21 -1.91 0.00 0.00 174.94 174.67 2q3s s ASN 136 N 0.42 6.25 0.01 4.50 3.84 -1.26 -3.65 114.94 125.04 2q3s s ASN 136 Ca -0.10 -0.54 -0.02 0.00 0.21 0.00 0.00 52.86 52.41 2q3s s ASN 136 Cb -0.13 -2.48 -0.00 0.00 -0.55 0.00 0.00 41.25 38.08 2q3s s ASN 136 CO 0.03 -1.49 0.92 0.55 -2.79 0.00 0.00 177.10 174.32 2q3s n VAL 137 N 6.21 -0.05 -0.08 -5.21 3.14 -0.81 -2.11 118.33 119.42 2q3s n VAL 137 Ca 0.01 1.39 0.25 0.00 -2.96 0.00 0.00 64.34 63.03 2q3s n VAL 137 Cb 0.47 -1.83 0.72 0.00 -1.06 0.00 0.00 33.84 32.14 2q3s n VAL 137 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2q3s h GLY 138 N 0.00 0.00 2.00 7.55 0.00 -1.83 0.24 103.07 111.03 2q3s h GLY 138 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2q3s h GLY 138 CO -0.07 0.00 -0.08 1.70 0.00 0.00 0.00 176.54 178.09 2q3s h LYS 139 N 0.00 0.00 0.00 4.80 1.63 -1.67 1.62 116.57 122.95 2q3s h LYS 139 Ca 0.34 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.06 2q3s h LYS 139 Cb 1.49 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.11 2q3s h LYS 139 CO -0.00 0.08 -0.54 1.25 -3.45 0.00 0.00 179.45 176.79 2q3s h LEU 140 N 0.00 0.00 -0.32 5.20 5.85 -0.61 -3.20 115.31 122.23 2q3s h LEU 140 Ca -0.00 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.24 2q3s h LEU 140 Cb 0.28 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2q3s h LEU 140 CO 0.01 1.07 -0.41 0.00 -0.34 0.00 0.00 178.44 178.77 2q3s h ALA 141 N -0.48 -0.65 -0.64 1.25 0.00 -0.55 0.45 119.26 118.65 2q3s h ALA 141 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.91 2q3s h ALA 141 Cb 0.89 1.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.62 2q3s h ALA 141 CO -0.08 -0.85 0.16 0.00 0.00 0.00 0.00 179.25 178.48 2q3s h ALA 142 N -0.36 0.79 -0.65 0.00 0.00 0.21 0.27 119.26 119.51 2q3s h ALA 142 Ca 0.06 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2q3s h ALA 142 Cb 0.43 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2q3s h ALA 142 CO -0.45 -0.29 0.41 1.49 0.00 0.00 0.00 179.25 180.41 2q3s h GLU 143 N 0.29 0.79 -0.20 0.00 4.81 -0.87 -0.11 114.58 119.29 2q3s h GLU 143 Ca 0.34 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 2q3s h GLU 143 Cb 0.52 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2q3s h GLU 143 CO -0.42 0.52 -0.36 0.00 -0.73 0.00 0.00 179.01 178.03 2q3s h ALA 144 N 1.27 1.01 -0.02 2.92 0.00 0.17 -3.25 119.26 121.37 2q3s h ALA 144 Ca 0.26 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2q3s h ALA 144 Cb -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2q3s h ALA 144 CO -0.10 0.60 -0.31 0.54 0.00 0.00 0.00 179.25 179.99 2q3s n ARG 145 N -4.06 1.55 -2.34 0.00 5.12 -0.34 -4.96 116.66 111.64 2q3s n ARG 145 Ca -0.01 -1.17 -0.19 0.00 -1.93 0.00 0.00 57.85 54.55 2q3s n ARG 145 Cb 0.47 -1.41 -0.01 0.00 -1.16 0.00 0.00 32.46 30.35 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 1.29 -0.37 3.05 -0.13 0.00 -0.07 -4.93 105.19 104.03 2q3s n GLY 146 Ca 0.09 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.95 2.96 0.30 2.61 2.01 -1.17 -4.98 115.64 114.43 2q3s s THR 147 Ca 0.00 -2.64 0.02 0.00 0.31 0.00 0.00 61.69 59.38 2q3s s THR 147 Cb 0.00 -3.04 0.41 0.00 0.01 0.00 0.00 72.50 69.88 2q3s s THR 147 CO 0.00 -0.74 1.53 0.18 -0.69 0.00 0.00 174.62 174.90 2q3s n LEU 148 N 3.90 -0.11 -0.07 4.42 4.77 -1.26 -1.31 117.00 127.34 2q3s n LEU 148 Ca 0.03 1.66 -0.08 0.00 -0.03 0.00 0.00 56.01 57.59 2q3s n LEU 148 Cb 0.39 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 2q3s n LEU 148 CO 0.31 -1.68 0.90 1.62 -1.33 0.00 0.00 177.39 177.20 2q3s h VAL 149 N 0.00 0.89 -0.32 4.08 3.04 -1.96 -3.04 116.25 118.95 2q3s h VAL 149 Ca 0.60 -0.06 0.13 0.00 -1.01 0.00 0.00 66.70 66.35 2q3s h VAL 149 Cb 1.23 0.70 -0.05 0.00 -2.01 0.00 0.00 31.29 31.17 2q3s h VAL 149 CO -0.92 0.03 0.18 0.18 -1.01 0.00 0.00 177.57 176.04 2q3s n LEU 150 N -5.07 0.09 -0.07 3.16 4.77 -0.43 0.30 117.00 119.75 2q3s n LEU 150 Ca -0.01 0.47 -0.07 0.00 -0.03 0.00 0.00 56.01 56.37 2q3s n LEU 150 Cb 0.11 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2q3s n LEU 150 CO 0.27 -0.53 0.87 -0.08 -1.33 0.00 0.00 177.39 176.60 2q3s h GLU 151 N 0.00 0.11 -0.83 3.23 4.81 -1.59 -3.15 114.58 117.17 2q3s h GLU 151 Ca 0.25 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 2q3s h GLU 151 Cb 0.70 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 2q3s h GLU 151 CO -0.21 0.07 0.11 1.19 -0.73 0.00 0.00 179.01 179.44 2q3s n PHE 152 N -5.13 1.37 -3.99 0.92 3.72 0.87 -4.62 117.46 110.60 2q3s n PHE 152 Ca -0.01 -0.66 -0.34 0.00 -0.05 0.00 0.00 57.45 56.39 2q3s n PHE 152 Cb 0.14 -0.43 -0.06 0.00 -0.94 0.00 0.00 39.48 38.18 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 -1.68 4.17 0.87 4.37 1.43 -1.19 -5.10 118.68 121.56 2q3s s LEU 153 Ca 0.32 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.61 2q3s s LEU 153 Cb 0.25 -2.28 0.12 0.00 0.03 0.00 0.00 46.19 44.31 2q3s s LEU 153 CO 0.08 0.32 1.11 -0.83 0.23 0.00 0.00 176.35 177.26 2q3s s GLY 154 N -1.50 1.60 0.22 -3.19 0.00 -1.26 -4.68 107.32 98.50 2q3s s GLY 154 Ca 0.21 -0.29 -0.18 0.00 0.00 0.00 0.00 44.72 44.47 2q3s s GLY 154 CO 0.11 0.21 1.57 -0.84 0.00 0.00 0.00 173.10 174.16 2q3s h THR 155 N -1.40 0.09 0.63 0.90 2.02 -1.99 0.20 112.91 113.35 2q3s h THR 155 Ca -0.49 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 2q3s h THR 155 Cb 1.30 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2q3s h THR 155 CO 0.59 0.00 -0.30 -0.09 0.37 0.00 0.00 175.52 176.09 2q3s h ARG 156 N -0.06 -0.81 -0.92 6.66 1.12 -1.97 -1.77 114.38 116.63 2q3s h ARG 156 Ca 0.31 0.06 0.05 0.00 -1.11 0.00 0.00 59.98 59.29 2q3s h ARG 156 Cb 0.59 0.18 -0.06 0.00 -0.01 0.00 0.00 29.97 30.67 2q3s h ARG 156 CO -0.85 -0.49 0.60 1.49 -3.11 0.00 0.00 179.97 177.60 2q3s h GLU 157 N -1.04 1.06 -0.66 0.20 4.57 -1.89 0.16 114.58 116.99 2q3s h GLU 157 Ca -0.09 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 57.97 2q3s h GLU 157 Cb 0.69 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 2q3s h GLU 157 CO 0.14 0.70 0.16 1.25 -1.18 0.00 0.00 179.01 180.08 2q3s h LEU 158 N 1.09 0.99 -1.14 1.64 5.85 -0.97 0.35 115.31 123.13 2q3s h LEU 158 Ca 0.39 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 2q3s h LEU 158 Cb 0.13 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2q3s h LEU 158 CO -0.14 0.95 -0.01 0.00 -0.34 0.00 0.00 178.44 178.91 2q3s h ALA 159 N 1.17 1.30 0.07 1.25 0.00 -0.10 -0.79 119.26 122.16 2q3s h ALA 159 Ca 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2q3s h ALA 159 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2q3s h ALA 159 CO 0.00 0.48 -0.04 1.25 0.00 0.00 0.00 179.25 180.94 2q3s h HIS 160 N 0.56 -0.09 0.00 0.00 -0.00 -0.14 0.53 115.15 116.01 2q3s h HIS 160 Ca 0.12 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 2q3s h HIS 160 Cb 0.37 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.81 2q3s h HIS 160 CO 0.01 0.36 0.00 0.00 -0.00 0.00 0.00 177.93 178.31 2q3s h ARG 161 N -0.59 0.00 0.02 5.26 2.47 -0.17 -0.03 114.38 121.34 2q3s h ARG 161 Ca -0.01 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.35 2q3s h ARG 161 Cb 0.50 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.76 2q3s h ARG 161 CO 0.02 0.00 -2.19 0.28 0.56 0.00 0.00 179.97 178.63 2q3s n VAL 162 N -2.91 1.52 -0.00 2.04 0.31 -0.31 -4.79 118.33 114.19 2q3s n VAL 162 Ca 0.01 -0.75 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 2q3s n VAL 162 Cb 0.27 -1.01 -0.00 0.00 -0.91 0.00 0.00 33.84 32.18 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 -3.05 0.00 -3.79 7.52 4.77 0.19 -5.06 117.00 117.58 2q3s n LEU 163 Ca -0.32 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.42 2q3s n LEU 163 Cb 1.08 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.19 2q3s n LEU 163 CO 0.39 0.00 -0.04 0.79 -1.33 0.00 0.00 177.39 177.21 2q3s n TRP 164 N -1.65 -1.99 -3.14 -1.77 7.02 -0.03 -5.02 117.44 110.86 2q3s n TRP 164 Ca -0.00 0.85 -0.20 0.00 -1.02 0.00 0.00 57.50 57.13 2q3s n TRP 164 Cb 0.15 -4.20 0.06 0.00 -2.42 0.00 0.00 31.31 24.90 2q3s n TRP 164 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2q3s n SER 165 N -2.99 2.15 -4.66 -0.99 3.41 -1.26 -5.05 113.62 104.23 2q3s n SER 165 Ca -0.21 -2.55 -0.43 0.00 -0.26 0.00 0.00 58.87 55.43 2q3s n SER 165 Cb 0.64 -0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 2q3s n SER 165 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2q3s s ASP 166 N -4.48 6.88 0.00 4.04 -1.08 -1.26 -4.88 116.67 115.89 2q3s s ASP 166 Ca 0.56 1.84 0.05 0.00 -0.52 0.00 0.00 52.55 54.47 2q3s s ASP 166 Cb -0.04 -2.54 0.13 0.00 -1.46 0.00 0.00 42.92 39.01 2q3s s ASP 166 CO 0.36 -0.79 1.10 0.18 0.52 0.00 0.00 175.17 176.53 2q3s n LEU 167 N 6.66 2.38 -0.20 -1.34 4.77 -1.26 -4.75 117.00 123.26 2q3s n LEU 167 Ca 0.15 -1.96 -0.01 0.00 -0.03 0.00 0.00 56.01 54.15 2q3s n LEU 167 Cb 0.44 -0.10 0.10 0.00 -2.33 0.00 0.00 43.42 41.53 2q3s n LEU 167 CO 0.57 0.59 1.02 1.23 -1.33 0.00 0.00 177.39 179.48 2q3s h GLY 168 N 0.92 0.86 0.93 -0.72 0.00 -1.98 0.43 103.07 103.51 2q3s h GLY 168 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 2q3s h GLY 168 CO 0.00 0.05 -0.07 -1.61 0.00 0.00 0.00 176.54 174.90 2q3s h GLN 169 N 0.49 0.67 -0.50 4.80 5.75 -1.99 0.68 115.11 125.00 2q3s h GLN 169 Ca 0.29 -0.25 -0.08 0.00 -0.15 0.00 0.00 58.65 58.46 2q3s h GLN 169 Cb 0.29 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 2q3s h GLN 169 CO -0.25 0.83 -0.00 1.25 -2.65 0.00 0.00 178.83 178.01 2q3s h LEU 170 N 0.46 0.88 -0.55 -2.39 5.85 -1.81 -2.04 115.31 115.71 2q3s h LEU 170 Ca 0.09 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 2q3s h LEU 170 Cb 0.57 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2q3s h LEU 170 CO 0.03 0.97 0.02 0.44 -0.34 0.00 0.00 178.44 179.56 2q3s h ASP 171 N 0.76 0.94 0.71 1.25 3.32 0.04 0.15 116.42 123.59 2q3s h ASP 171 Ca 0.14 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 2q3s h ASP 171 Cb 0.52 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2q3s h ASP 171 CO 0.03 1.01 -0.34 0.77 -1.72 0.00 0.00 179.24 178.98 2q3s h SER 172 N 0.85 0.00 -0.03 6.45 4.64 -0.80 0.27 113.55 124.94 2q3s h SER 172 Ca 0.16 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 2q3s h SER 172 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2q3s h SER 172 CO 0.03 0.34 -0.17 0.40 -0.87 0.00 0.00 176.83 176.56 2q3s h ILE 173 N 0.00 1.49 -0.30 0.95 2.04 -0.98 -3.32 117.51 117.39 2q3s h ILE 173 Ca -0.00 -1.69 -0.15 0.00 1.00 0.00 0.00 64.86 64.01 2q3s h ILE 173 Cb 0.79 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 39.38 2q3s h ILE 173 CO 0.04 0.46 -0.41 -0.33 0.00 0.00 0.00 178.15 177.91 2q3s h GLU 174 N -0.43 0.82 0.00 2.37 5.08 -0.40 -2.57 114.58 119.45 2q3s h GLU 174 Ca -0.01 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2q3s h GLU 174 Cb 0.85 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2q3s h GLU 174 CO 0.04 1.11 0.01 0.00 -1.00 0.00 0.00 179.01 179.16 2q3s n ALA 175 N -2.54 1.29 -2.73 3.43 0.00 0.94 -1.12 120.51 119.78 2q3s n ALA 175 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 2q3s n ALA 175 Cb 0.55 -0.93 0.06 0.00 0.00 0.00 0.00 19.45 19.14 2q3s n ALA 175 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2q3s n LYS 176 N -1.07 1.39 -0.19 0.00 2.85 -0.99 -4.96 118.16 115.19 2q3s n LYS 176 Ca 0.00 -2.73 0.14 0.00 -1.05 0.00 0.00 58.31 54.67 2q3s n LYS 176 Cb 0.01 -0.89 0.47 0.00 -0.65 0.00 0.00 35.03 33.96 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 1.97 0.57 -0.20 5.58 2.91 -0.92 -1.43 115.95 124.42 2q3s h TRP 177 Ca -0.24 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.78 2q3s h TRP 177 Cb 1.35 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.81 2q3s h TRP 177 CO 0.31 0.22 0.01 1.05 -1.03 0.00 0.00 178.44 179.00 2q3s h GLU 178 N 0.49 0.29 0.03 2.65 9.09 -1.90 -3.06 114.58 122.18 2q3s h GLU 178 Ca 0.39 -0.04 -0.26 0.00 0.05 0.00 0.00 59.36 59.50 2q3s h GLU 178 Cb 0.81 -0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 27.83 2q3s h GLU 178 CO -0.14 0.31 -1.32 0.87 0.05 0.00 0.00 179.01 178.78 2q3s h LYS 179 N 0.29 0.06 -6.64 1.06 1.57 -1.65 -3.48 116.57 107.78 2q3s h LYS 179 Ca 0.07 -0.10 -0.57 0.00 -1.87 0.00 0.00 60.65 58.18 2q3s h LYS 179 Cb 0.18 0.04 0.18 0.00 0.08 0.00 0.00 32.23 32.71 2q3s h LYS 179 CO 0.00 0.89 -0.34 0.00 -0.57 0.00 0.00 179.45 179.43 2q3s n ALA 180 N -2.48 -1.24 -2.04 3.86 0.00 -1.12 -5.01 120.51 112.48 2q3s n ALA 180 Ca -0.08 -0.17 -0.23 0.00 0.00 0.00 0.00 53.44 52.96 2q3s n ALA 180 Cb 1.00 -1.88 0.04 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.39 1.74 0.41 0.00 0.00 -1.26 -4.87 107.32 101.95 2q3s s GLY 181 Ca 0.67 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 44.32 2q3s s GLY 181 CO 0.56 -0.86 2.06 -2.55 0.00 0.00 0.00 173.10 172.31 2q3s h PRO 182 N -0.03 0.55 0.01 2.90 0.11 -1.99 0.43 132.00 133.98 2q3s h PRO 182 Ca -0.43 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.43 2q3s h PRO 182 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2q3s h PRO 182 CO 0.55 0.36 -0.93 1.49 -0.21 0.00 0.00 178.00 179.27 2q3s h GLU 183 N 0.57 0.27 -0.25 1.05 4.81 -1.99 -1.98 114.58 117.06 2q3s h GLU 183 Ca 0.16 -0.30 -0.11 0.00 -0.13 0.00 0.00 59.36 58.98 2q3s h GLU 183 Cb -0.05 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2q3s h GLU 183 CO -0.03 1.02 -0.30 0.93 -0.73 0.00 0.00 179.01 179.90 2q3s h GLU 184 N 0.14 0.51 -0.61 1.92 5.08 -1.50 -2.02 114.58 118.10 2q3s h GLU 184 Ca -0.06 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 2q3s h GLU 184 Cb 1.57 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 2q3s h GLU 184 CO 0.15 0.76 0.03 1.96 -1.00 0.00 0.00 179.01 180.90 2q3s h GLN 185 N 0.44 1.06 -0.35 2.33 4.20 -0.08 -1.80 115.11 120.90 2q3s h GLN 185 Ca 0.06 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 2q3s h GLN 185 Cb 0.75 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 2q3s h GLN 185 CO 0.06 1.02 0.02 1.25 -0.67 0.00 0.00 178.83 180.51 2q3s h LEU 186 N 0.96 0.51 -0.67 1.46 5.85 -1.21 -1.18 115.31 121.02 2q3s h LEU 186 Ca 0.18 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2q3s h LEU 186 Cb 0.52 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2q3s h LEU 186 CO 0.03 0.56 0.41 -0.08 -0.34 0.00 0.00 178.44 179.01 2q3s h GLU 187 N 0.52 0.76 -0.06 1.25 4.81 -0.60 0.70 114.58 121.98 2q3s h GLU 187 Ca 0.11 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 2q3s h GLU 187 Cb 0.30 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2q3s h GLU 187 CO 0.01 0.51 -0.68 0.00 -0.73 0.00 0.00 179.01 178.11 2q3s h ALA 188 N 1.30 0.73 -0.22 2.92 0.00 -0.91 -2.62 119.26 120.47 2q3s h ALA 188 Ca 0.28 -0.59 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 2q3s h ALA 188 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2q3s h ALA 188 CO -0.12 0.77 -0.58 0.00 0.00 0.00 0.00 179.25 179.31 2q3s h ALA 189 N 1.09 0.36 -0.26 0.00 0.00 0.07 -1.16 119.26 119.36 2q3s h ALA 189 Ca -0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2q3s h ALA 189 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2q3s h ALA 189 CO 0.11 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.95 2q3s h ALA 190 N 0.61 0.36 0.18 0.00 0.00 0.31 -2.79 119.26 117.92 2q3s h ALA 190 Ca -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2q3s h ALA 190 Cb 1.20 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2q3s h ALA 190 CO 0.13 0.10 -0.49 0.82 0.00 0.00 0.00 179.25 179.81 2q3s h ILE 191 N 0.25 0.06 -0.95 0.00 2.04 -1.51 -1.51 117.51 115.89 2q3s h ILE 191 Ca 0.07 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.19 2q3s h ILE 191 Cb 0.44 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 2q3s h ILE 191 CO 0.02 0.00 0.66 -0.33 0.00 0.00 0.00 178.15 178.49 2q3s h GLU 192 N -0.76 0.17 0.59 2.37 5.08 -1.18 0.80 114.58 121.65 2q3s h GLU 192 Ca -0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2q3s h GLU 192 Cb 0.75 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.97 2q3s h GLU 192 CO -0.24 0.11 -0.29 0.78 -1.00 0.00 0.00 179.01 178.38 2q3s h GLY 193 N 0.17 -0.83 -0.65 -3.84 0.00 -1.03 -1.36 103.07 95.53 2q3s h GLY 193 Ca 0.48 0.31 0.28 0.00 0.00 0.00 0.00 47.33 48.40 2q3s h GLY 193 CO -0.10 -0.30 0.28 -0.25 0.00 0.00 0.00 176.54 176.17 2q3s h TRP 194 N -0.96 0.42 -0.46 5.60 7.01 0.51 1.07 115.95 129.13 2q3s h TRP 194 Ca -0.08 0.05 -0.10 0.00 2.11 0.00 0.00 58.89 60.87 2q3s h TRP 194 Cb 0.61 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.62 2q3s h TRP 194 CO 0.05 -0.29 -0.13 -0.07 -2.79 0.00 0.00 178.44 175.20 2q3s h LEU 195 N 0.15 0.85 0.00 0.65 3.38 0.47 -1.22 115.31 119.60 2q3s h LEU 195 Ca 0.63 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 58.21 2q3s h LEU 195 Cb 1.38 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2q3s h LEU 195 CO -0.72 0.99 -0.79 0.40 0.09 0.00 0.00 178.44 178.41 2q3s h ILE 196 N 0.77 0.75 -0.05 1.22 1.08 0.86 -1.70 117.51 120.43 2q3s h ILE 196 Ca 0.12 -2.14 -0.00 0.00 -0.39 0.00 0.00 64.86 62.45 2q3s h ILE 196 Cb 0.64 2.29 -0.00 0.00 -3.07 0.00 0.00 36.82 36.68 2q3s h ILE 196 CO 0.04 0.43 0.03 0.58 -0.69 0.00 0.00 178.15 178.54 2q3s h VAL 197 N 0.00 1.06 0.00 1.67 2.07 0.10 0.15 116.25 121.30 2q3s h VAL 197 Ca -0.05 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2q3s h VAL 197 Cb 1.44 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2q3s h VAL 197 CO 0.06 0.05 -0.06 0.78 0.02 0.00 0.00 177.57 178.42 2q3s h ASN 198 N 0.02 0.00 -0.17 0.57 2.35 -1.15 0.08 115.58 117.27 2q3s h ASN 198 Ca 0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 2q3s h ASN 198 Cb 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 2q3s h ASN 198 CO -0.00 0.06 -0.15 0.58 -1.65 0.00 0.00 177.43 176.27 2q3s h VAL 199 N 0.00 1.33 -0.11 2.81 2.07 -0.54 -2.48 116.25 119.34 2q3s h VAL 199 Ca -0.00 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 2q3s h VAL 199 Cb 0.11 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2q3s h VAL 199 CO 0.01 0.39 -0.04 -0.25 0.02 0.00 0.00 177.57 177.69 2q3s h TRP 200 N 0.07 0.25 -0.83 1.57 2.91 -0.20 -2.02 115.95 117.70 2q3s h TRP 200 Ca 0.03 -0.06 0.06 0.00 1.13 0.00 0.00 58.89 60.05 2q3s h TRP 200 Cb 0.68 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.22 2q3s h TRP 200 CO 0.08 0.56 0.54 -0.44 -1.03 0.00 0.00 178.44 178.15 2q3s h ASP 201 N -0.13 0.82 0.50 2.65 3.32 -1.09 -1.26 116.42 121.23 2q3s h ASP 201 Ca 0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2q3s h ASP 201 Cb 0.49 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2q3s h ASP 201 CO 0.01 0.54 -0.24 -0.61 -1.72 0.00 0.00 179.24 177.22 2q3s h GLN 202 N 0.94 -0.65 -0.41 3.56 5.75 -1.21 -3.29 115.11 119.80 2q3s h GLN 202 Ca 0.35 0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.81 2q3s h GLN 202 Cb 0.18 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 2q3s h GLN 202 CO -0.12 -0.35 -0.08 -0.07 -2.65 0.00 0.00 178.83 175.56 2q3s h LEU 203 N -0.89 0.68 -3.31 -2.39 3.38 -1.25 -3.15 115.31 108.38 2q3s h LEU 203 Ca -0.07 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 2q3s h LEU 203 Cb 0.60 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2q3s h LEU 203 CO 0.11 0.80 0.10 -0.24 0.09 0.00 0.00 178.44 179.30 2q3s n SER 204 N -4.19 5.73 0.00 -0.43 2.88 -0.49 -3.10 113.62 114.02 2q3s n SER 204 Ca 0.01 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 2q3s n SER 204 Cb 0.33 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2q3s n SER 204 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2q3s n ASP 205 N 1.22 0.00 -0.69 -3.46 10.43 -1.19 -4.98 116.55 117.89 2q3s n ASP 205 Ca 0.15 -0.24 0.13 0.00 2.57 0.00 0.00 54.79 57.40 2q3s n ASP 205 Cb 0.57 0.00 0.34 0.00 1.84 0.00 0.00 41.12 43.86 2q3s n ASP 205 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51