#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3s n ALA 2 N 0.00 -1.67 -3.04 7.33 0.00 -1.26 -4.98 120.51 116.90 2q3s n ALA 2 Ca 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 53.44 53.85 2q3s n ALA 2 Cb 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 19.45 17.42 2q3s n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2q3s s SER 3 N 1.36 -0.23 -1.21 0.00 1.04 -1.26 -5.01 113.70 108.38 2q3s s SER 3 Ca 0.92 -0.36 -0.13 0.00 0.48 0.00 0.00 55.95 56.87 2q3s s SER 3 Cb -1.16 0.49 0.18 0.00 0.10 0.00 0.00 66.02 65.63 2q3s s SER 3 CO 0.59 -0.89 1.48 0.49 0.98 0.00 0.00 173.24 175.90 2q3s n PHE 4 N -0.24 4.67 -3.02 5.02 3.01 -1.26 -4.83 117.46 120.79 2q3s n PHE 4 Ca -0.15 -3.30 -0.31 0.00 1.01 0.00 0.00 57.45 54.70 2q3s n PHE 4 Cb 0.64 -2.11 -0.04 0.00 -0.01 0.00 0.00 39.48 37.96 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 5.13 5.00 -3.58 4.37 5.75 -1.19 -4.19 116.55 127.84 2q3s n ASP 5 Ca 0.36 -3.60 -0.20 0.00 -0.01 0.00 0.00 54.79 51.34 2q3s n ASP 5 Cb 0.41 -0.77 -0.04 0.00 -1.03 0.00 0.00 41.12 39.69 2q3s n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2q3s n GLY 6 N 0.24 3.74 3.65 6.12 0.00 -1.19 -4.98 105.19 112.76 2q3s n GLY 6 Ca 0.33 -2.26 -0.50 0.00 0.00 0.00 0.00 46.02 43.59 2q3s n GLY 6 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q3s n PRO 7 N -0.77 1.83 -3.96 1.61 -0.04 -1.26 -4.68 135.00 127.73 2q3s n PRO 7 Ca -0.12 0.65 -0.21 0.00 -0.04 0.00 0.00 63.50 63.78 2q3s n PRO 7 Cb 0.41 -2.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 2q3s n PRO 7 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2q3s s LYS 8 N 4.42 3.05 0.00 0.54 -2.85 -1.26 -4.55 119.74 119.09 2q3s s LYS 8 Ca 0.97 -1.01 0.03 0.00 -1.00 0.00 0.00 55.97 54.95 2q3s s LYS 8 Cb -0.77 -2.66 -0.01 0.00 -2.06 0.00 0.00 37.83 32.33 2q3s s LYS 8 CO 0.53 0.32 -0.08 -0.06 0.10 0.00 0.00 175.35 176.16 2q3s s PHE 9 N -2.13 0.72 0.86 1.78 0.08 -1.26 -5.09 117.98 112.95 2q3s s PHE 9 Ca 0.36 -0.19 -0.09 0.00 0.12 0.00 0.00 56.93 57.13 2q3s s PHE 9 Cb -0.08 -0.45 0.18 0.00 -0.57 0.00 0.00 43.02 42.09 2q3s s PHE 9 CO 0.27 -0.02 1.18 0.21 -0.10 0.00 0.00 175.22 176.76 2q3s s LYS 10 N -0.43 1.01 0.00 0.44 2.20 -1.26 -3.97 119.74 117.73 2q3s s LYS 10 Ca 0.01 -0.84 0.12 0.00 -0.36 0.00 0.00 55.97 54.90 2q3s s LYS 10 Cb -0.04 -2.08 -0.13 0.00 -1.51 0.00 0.00 37.83 34.07 2q3s s LYS 10 CO -0.00 -2.03 0.53 0.25 -0.36 0.00 0.00 175.35 173.74 2q3s n THR 12 N -3.35 0.00 -1.22 3.43 -2.24 -1.26 -5.01 114.28 104.63 2q3s n THR 12 Ca 0.16 -0.22 0.07 0.00 -2.27 0.00 0.00 64.05 61.79 2q3s n THR 12 Cb 0.60 1.01 0.19 0.00 -2.10 0.00 0.00 70.33 70.03 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 -1.24 2.58 0.00 3.42 5.75 -1.26 -4.97 116.55 120.83 2q3s n ASP 13 Ca 0.02 -3.34 0.00 0.00 -0.01 0.00 0.00 54.79 51.46 2q3s n ASP 13 Cb 0.20 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 2q3s n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2q3s n GLY 14 N -1.12 1.92 3.83 6.12 0.00 -1.26 -4.99 105.19 109.69 2q3s n GLY 14 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.86 5.06 0.22 1.61 1.04 -1.26 -5.05 113.70 112.45 2q3s s SER 15 Ca 0.00 1.33 0.09 0.00 0.48 0.00 0.00 55.95 57.86 2q3s s SER 15 Cb 0.00 -2.14 -0.05 0.00 0.10 0.00 0.00 66.02 63.93 2q3s s SER 15 CO 0.00 -1.61 -0.17 -0.31 0.98 0.00 0.00 173.24 172.13 2q3s s TYR 16 N -3.19 1.90 -0.07 5.02 1.51 -1.26 -4.71 117.35 116.55 2q3s s TYR 16 Ca 0.59 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 2q3s s TYR 16 Cb -0.13 -0.88 0.02 0.00 -0.11 0.00 0.00 41.96 40.85 2q3s s TYR 16 CO 0.54 0.45 -0.10 0.08 -1.11 0.00 0.00 175.55 175.41 2q3s s VAL 17 N -2.61 1.03 -0.02 0.71 1.01 -1.25 -4.68 120.40 114.58 2q3s s VAL 17 Ca 0.23 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 2q3s s VAL 17 Cb -0.03 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 2q3s s VAL 17 CO 0.09 0.34 0.52 -1.10 0.00 0.00 0.00 175.10 174.95 2q3s s GLN 18 N 0.89 4.22 0.58 2.72 -0.21 0.19 -4.14 119.66 123.91 2q3s s GLN 18 Ca -0.11 0.59 0.08 0.00 0.02 0.00 0.00 55.36 55.94 2q3s s GLN 18 Cb -0.15 -3.33 0.08 0.00 1.00 0.00 0.00 33.01 30.61 2q3s s GLN 18 CO 0.01 0.42 0.66 0.25 -2.12 0.00 0.00 175.29 174.51 2q3s n THR 19 N 2.64 0.00 0.00 -0.19 -2.24 -1.26 0.26 114.28 113.49 2q3s n THR 19 Ca -0.09 -2.08 0.00 0.00 -2.27 0.00 0.00 64.05 59.62 2q3s n THR 19 Cb 0.51 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2q3s n THR 19 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2q3s n LYS 20 N -2.11 0.00 -5.28 -0.78 3.00 -0.90 -3.16 118.16 108.93 2q3s n LYS 20 Ca 0.09 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.10 2q3s n LYS 20 Cb 0.62 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.49 2q3s n LYS 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2q3s s THR 21 N 0.00 2.01 -0.02 3.15 2.01 -1.26 -0.70 115.64 120.84 2q3s s THR 21 Ca 0.00 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 60.93 2q3s s THR 21 Cb 0.00 -1.67 0.01 0.00 0.01 0.00 0.00 72.50 70.84 2q3s s THR 21 CO 0.00 0.57 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.82 2q3s s ILE 22 N -0.57 0.47 -1.15 1.82 1.01 -0.87 -4.97 121.20 116.94 2q3s s ILE 22 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 2q3s s ILE 22 Cb -0.10 -0.43 0.24 0.00 0.01 0.00 0.00 42.46 42.17 2q3s s ILE 22 CO -0.01 0.16 2.04 0.47 0.00 0.00 0.00 174.94 177.60 2q3s n ASP 23 N 3.34 7.57 -3.82 3.58 8.00 -1.26 0.28 116.55 134.24 2q3s n ASP 23 Ca -0.18 -3.46 -0.51 0.00 0.71 0.00 0.00 54.79 51.35 2q3s n ASP 23 Cb 0.55 -1.25 -0.07 0.00 -0.02 0.00 0.00 41.12 40.33 2q3s n ASP 23 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2q3s n VAL 24 N 0.74 0.00 -3.45 2.53 0.31 0.55 -4.92 118.33 114.09 2q3s n VAL 24 Ca 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.85 2q3s n VAL 24 Cb 0.26 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 2q3s n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2q3s n GLY 25 N 1.75 3.56 0.26 2.92 0.00 -1.26 -4.00 105.19 108.42 2q3s n GLY 25 Ca 0.19 -2.16 0.13 0.00 0.00 0.00 0.00 46.02 44.18 2q3s n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2q3s h SER 26 N 0.00 0.00 -3.69 1.61 4.64 -1.95 -3.37 113.55 110.80 2q3s h SER 26 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 2q3s h SER 26 Cb 0.00 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 61.72 2q3s h SER 26 CO 0.00 0.11 -0.80 -0.94 -0.87 0.00 0.00 176.83 174.33 2q3s s SER 27 N -6.13 4.07 -0.18 4.97 1.04 -1.26 -4.64 113.70 111.57 2q3s s SER 27 Ca -0.03 -1.21 -0.28 0.00 0.48 0.00 0.00 55.95 54.91 2q3s s SER 27 Cb 0.13 -1.43 0.10 0.00 0.10 0.00 0.00 66.02 64.91 2q3s s SER 27 CO 0.58 -0.17 0.85 -0.89 0.98 0.00 0.00 173.24 174.59 2q3s s THR 28 N 1.21 0.00 -0.16 2.02 2.01 -1.26 -5.06 115.64 114.41 2q3s s THR 28 Ca -0.06 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2q3s s THR 28 Cb -0.19 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.33 2q3s s THR 28 CO -0.06 0.00 -0.19 -0.62 -0.69 0.00 0.00 174.62 173.06 2q3s s ASP 29 N -0.49 3.32 -0.15 3.53 -1.08 -1.26 -4.76 116.67 115.79 2q3s s ASP 29 Ca -0.03 -0.57 0.17 0.00 -0.52 0.00 0.00 52.55 51.60 2q3s s ASP 29 Cb -0.02 -1.50 0.43 0.00 -1.46 0.00 0.00 42.92 40.37 2q3s s ASP 29 CO 0.02 0.06 1.19 2.30 0.52 0.00 0.00 175.17 179.26 2q3s n ILE 30 N 4.21 1.41 0.05 4.11 -5.35 -1.26 -4.79 119.36 117.74 2q3s n ILE 30 Ca -0.20 -2.52 -0.22 0.00 -0.27 0.00 0.00 62.75 59.54 2q3s n ILE 30 Cb 0.51 0.21 -0.15 0.00 -1.74 0.00 0.00 39.64 38.48 2q3s n ILE 30 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2q3s h SER 31 N 1.19 0.53 -1.00 7.28 0.02 -1.98 -2.85 113.55 116.74 2q3s h SER 31 Ca -0.06 -0.90 0.16 0.00 -0.84 0.00 0.00 61.79 60.15 2q3s h SER 31 Cb 1.38 -0.17 -0.10 0.00 0.14 0.00 0.00 62.40 63.65 2q3s h SER 31 CO 0.11 1.66 0.62 -0.65 -1.14 0.00 0.00 176.83 177.43 2q3s h PRO 32 N -0.12 0.83 -0.01 3.45 0.11 -1.98 2.45 132.00 136.73 2q3s h PRO 32 Ca -0.29 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 2q3s h PRO 32 Cb 1.91 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.83 2q3s h PRO 32 CO 0.14 0.55 -0.09 1.88 -0.21 0.00 0.00 178.00 180.27 2q3s h TYR 33 N 0.85 0.10 -0.09 0.65 0.05 -1.90 -2.67 116.97 113.97 2q3s h TYR 33 Ca 0.54 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 59.31 2q3s h TYR 33 Cb 0.73 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 38.39 2q3s h TYR 33 CO -0.00 0.79 -0.42 -0.07 -1.05 0.00 0.00 178.16 177.41 2q3s h LEU 34 N -0.61 -1.29 0.00 3.88 3.38 -1.01 -2.64 115.31 117.02 2q3s h LEU 34 Ca -0.01 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2q3s h LEU 34 Cb 0.81 0.52 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2q3s h LEU 34 CO 0.02 -0.43 0.00 -1.20 0.09 0.00 0.00 178.44 176.91 2q3s n SER 35 N -5.44 0.00 -0.18 -0.43 7.64 0.81 0.56 113.62 116.58 2q3s n SER 35 Ca -0.05 0.32 -0.13 0.00 1.01 0.00 0.00 58.87 60.03 2q3s n SER 35 Cb 0.36 -0.13 -0.09 0.00 -1.01 0.00 0.00 64.21 63.34 2q3s n SER 35 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2q3s h LEU 36 N 0.00 -1.84 -0.94 -3.43 3.38 -1.22 0.41 115.31 111.67 2q3s h LEU 36 Ca 0.00 0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.27 2q3s h LEU 36 Cb 0.00 0.77 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 2q3s h LEU 36 CO 0.00 -0.37 0.60 0.40 0.09 0.00 0.00 178.44 179.16 2q3s h ILE 37 N -0.32 1.11 0.00 1.22 1.08 -0.70 1.48 117.51 121.37 2q3s h ILE 37 Ca 0.10 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.18 2q3s h ILE 37 Cb 0.57 -0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 34.20 2q3s h ILE 37 CO -0.65 0.21 -0.03 -0.09 -0.69 0.00 0.00 178.15 176.89 2q3s h ARG 38 N 1.13 0.00 0.00 2.37 2.43 0.17 -2.58 114.38 117.90 2q3s h ARG 38 Ca 0.39 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2q3s h ARG 38 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2q3s h ARG 38 CO -0.15 0.03 -0.00 1.49 -1.51 0.00 0.00 179.97 179.83 2q3s h GLU 39 N 0.00 -0.00 -0.26 0.20 4.81 0.62 -3.31 114.58 116.65 2q3s h GLU 39 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2q3s h GLU 39 Cb 0.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2q3s h GLU 39 CO 0.00 0.89 0.13 0.22 -0.73 0.00 0.00 179.01 179.52 2q3s h ASP 40 N -0.90 0.33 0.01 1.04 -0.00 -0.43 0.26 116.42 116.74 2q3s h ASP 40 Ca -0.00 -0.12 0.03 0.00 -0.00 0.00 0.00 57.03 56.94 2q3s h ASP 40 Cb 0.89 -0.09 -0.05 0.00 -0.00 0.00 0.00 39.33 40.09 2q3s h ASP 40 CO 0.00 0.36 -0.31 -1.28 -0.00 0.00 0.00 179.24 178.01 2q3s h SER 41 N 0.28 -0.92 0.26 2.28 0.87 -1.65 2.96 113.55 117.63 2q3s h SER 41 Ca 0.09 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2q3s h SER 41 Cb 0.11 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2q3s h SER 41 CO -0.01 -0.38 -0.12 0.40 -0.53 0.00 0.00 176.83 176.19 2q3s h ILE 42 N -0.47 0.00 0.00 2.23 2.04 -1.63 1.67 117.51 121.36 2q3s h ILE 42 Ca 0.06 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2q3s h ILE 42 Cb 0.55 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2q3s h ILE 42 CO -0.25 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.08 2q3s n LEU 43 N -3.19 0.00 0.00 1.44 4.77 0.92 -4.05 117.00 116.89 2q3s n LEU 43 Ca -0.04 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2q3s n LEU 43 Cb 0.14 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2q3s n LEU 43 CO 0.10 -0.10 0.00 0.59 -1.33 0.00 0.00 177.39 176.66 2q3s n ASN 44 N -1.25 0.00 0.00 -1.43 3.02 0.27 -4.97 115.26 110.91 2q3s n ASN 44 Ca 0.09 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 2q3s n ASN 44 Cb 0.13 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.00 -0.19 3.63 7.41 0.00 0.92 -4.79 105.19 112.16 2q3s n GLY 45 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.15 -5.30 -4.01 1.61 5.03 0.49 -3.61 115.26 109.32 2q3s n ASN 46 Ca 0.00 -0.60 -0.30 0.00 0.87 0.00 0.00 54.58 54.55 2q3s n ASN 46 Cb 0.29 -4.84 -0.00 0.00 -1.02 0.00 0.00 39.78 34.21 2q3s n ASN 46 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2q3s n ARG 47 N -4.80 -4.15 -4.40 3.52 1.74 0.23 -4.93 116.66 103.86 2q3s n ARG 47 Ca -0.04 0.48 -0.30 0.00 -0.77 0.00 0.00 57.85 57.21 2q3s n ARG 47 Cb 0.58 -5.10 -0.17 0.00 -1.02 0.00 0.00 32.46 26.75 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 -3.49 1.92 -0.17 7.54 0.00 -1.24 -0.09 121.76 126.24 2q3s s ALA 48 Ca 0.47 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 2q3s s ALA 48 Cb -0.25 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 2q3s s ALA 48 CO 0.88 -0.14 -0.04 0.08 0.00 0.00 0.00 175.76 176.53 2q3s s VAL 49 N 1.06 3.76 -0.07 0.00 1.01 -1.24 -4.77 120.40 120.15 2q3s s VAL 49 Ca -0.04 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2q3s s VAL 49 Cb -0.14 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 2q3s s VAL 49 CO -0.04 0.47 0.38 -0.63 0.00 0.00 0.00 175.10 175.27 2q3s s ILE 50 N 0.64 5.17 0.29 2.22 1.09 -0.61 -1.83 121.20 128.17 2q3s s ILE 50 Ca -0.02 0.75 -0.01 0.00 -1.10 0.00 0.00 60.65 60.26 2q3s s ILE 50 Cb -0.14 -3.69 -0.02 0.00 -1.06 0.00 0.00 42.46 37.55 2q3s s ILE 50 CO 0.02 0.48 0.35 0.72 -0.10 0.00 0.00 174.94 176.41 2q3s s PHE 51 N -0.31 1.15 0.09 3.97 -0.12 -1.11 0.99 117.98 122.63 2q3s s PHE 51 Ca 0.22 -1.32 -0.26 0.00 -0.05 0.00 0.00 56.93 55.52 2q3s s PHE 51 Cb -0.15 -0.30 0.07 0.00 -0.63 0.00 0.00 43.02 42.01 2q3s s PHE 51 CO 0.10 -0.94 0.63 0.34 -0.05 0.00 0.00 175.22 175.30 2q3s s ASP 52 N -3.22 -0.59 0.07 1.98 3.68 -1.12 -4.35 116.67 113.11 2q3s s ASP 52 Ca 0.34 0.22 0.04 0.00 2.13 0.00 0.00 52.55 55.28 2q3s s ASP 52 Cb 0.02 0.57 -0.03 0.00 -1.45 0.00 0.00 42.92 42.03 2q3s s ASP 52 CO 0.18 -0.85 -0.12 0.68 0.13 0.00 0.00 175.17 175.20 2q3s s VAL 53 N -2.94 0.97 -0.02 1.11 -7.23 -1.26 -2.56 120.40 108.47 2q3s s VAL 53 Ca -0.03 -1.31 0.04 0.00 -1.81 0.00 0.00 61.98 58.88 2q3s s VAL 53 Cb -0.01 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.91 2q3s s VAL 53 CO -0.06 -0.31 -0.13 -0.31 -0.31 0.00 0.00 175.10 173.98 2q3s s TYR 54 N -1.46 1.23 0.12 2.82 1.51 -0.91 -5.02 117.35 115.64 2q3s s TYR 54 Ca -0.03 -0.27 0.10 0.00 -1.01 0.00 0.00 57.07 55.86 2q3s s TYR 54 Cb -0.09 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 2q3s s TYR 54 CO 0.02 -0.06 -0.24 -1.58 -1.11 0.00 0.00 175.55 172.57 2q3s s TRP 55 N -0.14 2.38 -0.33 2.71 0.52 -1.26 -0.77 118.94 122.04 2q3s s TRP 55 Ca 0.02 -0.35 -0.18 0.00 0.02 0.00 0.00 56.10 55.61 2q3s s TRP 55 Cb -0.07 -1.29 -0.01 0.00 -1.15 0.00 0.00 33.47 30.96 2q3s s TRP 55 CO 0.00 0.34 0.50 0.34 0.02 0.00 0.00 176.95 178.15 2q3s s ASP 56 N -2.04 6.32 0.53 2.95 3.68 0.71 -4.84 116.67 123.97 2q3s s ASP 56 Ca 0.15 0.05 -0.22 0.00 2.13 0.00 0.00 52.55 54.67 2q3s s ASP 56 Cb -0.10 -2.26 -0.05 0.00 -1.45 0.00 0.00 42.92 39.05 2q3s s ASP 56 CO 0.07 -0.43 1.26 -0.69 0.13 0.00 0.00 175.17 175.51 2q3s s VAL 57 N 2.35 2.54 0.70 1.11 1.01 -1.26 -1.42 120.40 125.43 2q3s s VAL 57 Ca 0.18 0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 2q3s s VAL 57 Cb -0.16 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.08 2q3s s VAL 57 CO 0.12 -0.02 1.05 -0.83 0.00 0.00 0.00 175.10 175.42 2q3s s GLY 58 N -1.22 1.63 -0.47 4.51 0.00 -1.24 -4.62 107.32 105.90 2q3s s GLY 58 Ca 0.70 -0.67 0.06 0.00 0.00 0.00 0.00 44.72 44.81 2q3s s GLY 58 CO 0.40 -0.28 1.02 0.69 0.00 0.00 0.00 173.10 174.93 2q3s n PHE 59 N -2.96 -3.08 0.00 1.90 0.99 -1.26 -4.82 117.46 108.23 2q3s n PHE 59 Ca 0.07 -1.96 0.00 0.00 -0.00 0.00 0.00 57.45 55.56 2q3s n PHE 59 Cb 0.59 1.61 0.00 0.00 -1.00 0.00 0.00 39.48 40.68 2q3s n PHE 59 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 2q3s n THR 66 N 0.92 0.00 -0.09 4.37 5.66 -1.26 -4.43 114.28 119.46 2q3s n THR 66 Ca 0.07 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.16 2q3s n THR 66 Cb 0.67 0.00 0.44 0.00 -1.55 0.00 0.00 70.33 69.89 2q3s n THR 66 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2q3s h LYS 67 N 0.00 0.52 -0.06 1.09 6.56 -2.06 -1.72 116.57 120.90 2q3s h LYS 67 Ca 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2q3s h LYS 67 Cb 0.00 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.54 2q3s h LYS 67 CO 0.00 0.35 0.00 0.25 -2.06 0.00 0.00 179.45 177.99 2q3s n THR 68 N -4.47 0.08 0.43 -0.16 -2.24 -1.26 -4.05 114.28 102.61 2q3s n THR 68 Ca 0.08 -0.11 0.11 0.00 -2.27 0.00 0.00 64.05 61.86 2q3s n THR 68 Cb 0.25 -0.05 0.45 0.00 -2.10 0.00 0.00 70.33 68.88 2q3s n THR 68 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2q3s n SER 69 N -0.39 0.52 -0.26 3.42 3.41 -0.65 -2.66 113.62 117.02 2q3s n SER 69 Ca 0.10 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 2q3s n SER 69 Cb 0.12 -0.74 0.30 0.00 -0.26 0.00 0.00 64.21 63.63 2q3s n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q3s n GLY 70 N 0.05 -0.57 3.75 5.00 0.00 -1.26 -4.89 105.19 107.28 2q3s n GLY 70 Ca 0.03 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.54 3.47 -0.03 1.61 0.52 -1.09 -3.64 118.94 117.23 2q3s s TRP 71 Ca 0.22 1.56 -0.10 0.00 0.02 0.00 0.00 56.10 57.79 2q3s s TRP 71 Cb 0.19 -3.38 0.02 0.00 -1.15 0.00 0.00 33.47 29.14 2q3s s TRP 71 CO 0.55 -0.94 0.23 -1.12 0.02 0.00 0.00 176.95 175.69 2q3s s SER 72 N -0.40 -0.14 0.04 2.95 0.01 -0.51 -4.86 113.70 110.79 2q3s s SER 72 Ca 0.48 0.12 -0.34 0.00 1.31 0.00 0.00 55.95 57.52 2q3s s SER 72 Cb -0.33 0.34 -0.13 0.00 0.21 0.00 0.00 66.02 66.11 2q3s s SER 72 CO 0.40 -0.31 1.69 -0.11 0.41 0.00 0.00 173.24 175.33 2q3s n LEU 73 N 1.86 3.13 -0.05 2.44 7.94 -1.26 -0.21 117.00 130.84 2q3s n LEU 73 Ca -0.19 1.04 -0.08 0.00 -1.11 0.00 0.00 56.01 55.67 2q3s n LEU 73 Cb 0.57 -1.38 -0.04 0.00 0.53 0.00 0.00 43.42 43.10 2q3s n LEU 73 CO 0.20 -0.24 -0.82 -0.24 -1.11 0.00 0.00 177.39 175.18 2q3s n SER 74 N 4.75 2.39 -3.65 1.96 2.88 0.05 -4.77 113.62 117.23 2q3s n SER 74 Ca 0.20 0.01 -0.15 0.00 -1.33 0.00 0.00 58.87 57.59 2q3s n SER 74 Cb 0.28 -0.20 -0.08 0.00 -0.75 0.00 0.00 64.21 63.47 2q3s n SER 74 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2q3s s SER 75 N -5.25 -0.45 0.14 -3.46 1.04 -1.15 -2.04 113.70 102.52 2q3s s SER 75 Ca -0.13 0.54 0.11 0.00 0.48 0.00 0.00 55.95 56.95 2q3s s SER 75 Cb 0.04 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 2q3s s SER 75 CO 0.20 -0.46 -0.27 0.54 0.98 0.00 0.00 173.24 174.23 2q3s s VAL 76 N -0.96 2.27 -0.18 5.02 0.11 -0.04 -2.14 120.40 124.48 2q3s s VAL 76 Ca -0.10 -1.80 0.00 0.00 -2.93 0.00 0.00 61.98 57.16 2q3s s VAL 76 Cb -0.03 -2.02 0.04 0.00 -1.53 0.00 0.00 36.38 32.84 2q3s s VAL 76 CO 0.06 0.06 -0.09 -0.75 -3.33 0.00 0.00 175.10 171.05 2q3s s LYS 77 N -2.15 1.84 -0.25 1.54 2.20 -1.06 -0.04 119.74 121.83 2q3s s LYS 77 Ca 0.15 -0.68 -0.06 0.00 -0.36 0.00 0.00 55.97 55.02 2q3s s LYS 77 Cb -0.10 -2.22 -0.01 0.00 -1.51 0.00 0.00 37.83 33.99 2q3s s LYS 77 CO 0.07 -0.40 0.03 -0.51 -0.36 0.00 0.00 175.35 174.17 2q3s s LEU 78 N 1.50 3.33 -0.13 5.43 1.43 -1.03 -2.80 118.68 126.41 2q3s s LEU 78 Ca 0.00 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2q3s s LEU 78 Cb -0.15 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2q3s s LEU 78 CO -0.08 -0.07 -0.18 -0.44 0.23 0.00 0.00 176.35 175.81 2q3s s SER 79 N 1.53 3.56 0.55 2.29 0.01 0.28 -2.63 113.70 119.28 2q3s s SER 79 Ca 0.05 -0.46 0.03 0.00 1.31 0.00 0.00 55.95 56.89 2q3s s SER 79 Cb -0.15 -1.52 0.03 0.00 0.21 0.00 0.00 66.02 64.58 2q3s s SER 79 CO 0.01 0.14 0.26 0.42 0.41 0.00 0.00 173.24 174.48 2q3s s THR 80 N 0.48 1.37 0.39 1.44 -4.23 -0.60 -1.57 115.64 112.91 2q3s s THR 80 Ca -0.12 -1.68 0.07 0.00 -1.18 0.00 0.00 61.69 58.78 2q3s s THR 80 Cb -0.16 -2.05 0.21 0.00 1.34 0.00 0.00 72.50 71.84 2q3s s THR 80 CO 0.05 0.00 1.98 -0.09 -0.54 0.00 0.00 174.62 176.02 2q3s h ARG 81 N 0.92 0.47 0.00 3.99 2.43 -1.90 -3.24 114.38 117.04 2q3s h ARG 81 Ca -0.39 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.64 2q3s h ARG 81 Cb 1.31 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2q3s h ARG 81 CO 0.63 0.41 -1.76 0.09 -1.51 0.00 0.00 179.97 177.83 2q3s n ASN 82 N -4.38 0.31 -4.16 -3.80 3.02 -1.26 -4.64 115.26 100.34 2q3s n ASN 82 Ca 0.02 0.12 -0.17 0.00 -0.03 0.00 0.00 54.58 54.52 2q3s n ASN 82 Cb 0.15 1.26 -0.12 0.00 -0.61 0.00 0.00 39.78 40.46 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 -5.02 2.29 -0.29 3.41 1.43 -1.23 0.53 118.68 119.81 2q3s s LEU 83 Ca -0.06 -0.64 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 2q3s s LEU 83 Cb 0.11 -0.46 0.11 0.00 0.03 0.00 0.00 46.19 45.98 2q3s s LEU 83 CO 0.86 -0.11 0.16 0.00 0.23 0.00 0.00 176.35 177.49 2q3s s LEU 85 N 2.15 3.69 -0.27 0.00 2.96 -1.08 -2.12 118.68 124.01 2q3s s LEU 85 Ca 0.09 1.23 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 2q3s s LEU 85 Cb -0.16 -4.15 0.16 0.00 0.50 0.00 0.00 46.19 42.54 2q3s s LEU 85 CO -0.36 -0.52 0.44 0.12 -1.32 0.00 0.00 176.35 174.71 2q3s s PHE 86 N -2.57 -1.10 -0.16 5.38 2.19 0.12 -2.48 117.98 119.36 2q3s s PHE 86 Ca 0.53 0.74 -0.07 0.00 0.33 0.00 0.00 56.93 58.46 2q3s s PHE 86 Cb -0.10 0.04 -0.04 0.00 -1.31 0.00 0.00 43.02 41.60 2q3s s PHE 86 CO 0.36 -0.89 0.08 -0.51 1.83 0.00 0.00 175.22 176.09 2q3s s LEU 87 N 2.61 3.98 -0.22 6.12 1.43 0.94 -2.05 118.68 131.50 2q3s s LEU 87 Ca 0.12 0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 53.37 2q3s s LEU 87 Cb -0.14 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 2q3s s LEU 87 CO -0.24 0.25 0.00 -0.13 0.23 0.00 0.00 176.35 176.46 2q3s s ARG 88 N -0.05 3.52 0.09 1.70 0.52 0.80 -0.87 118.95 124.67 2q3s s ARG 88 Ca 0.08 -0.55 0.04 0.00 -0.52 0.00 0.00 55.73 54.77 2q3s s ARG 88 Cb -0.12 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 2q3s s ARG 88 CO 0.01 -0.14 0.05 -0.51 0.02 0.00 0.00 175.30 174.73 2q3s s LEU 89 N 1.38 3.66 1.03 2.53 1.43 -0.87 -0.33 118.68 127.52 2q3s s LEU 89 Ca 0.05 -0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 2q3s s LEU 89 Cb -0.15 -2.36 0.21 0.00 0.03 0.00 0.00 46.19 43.92 2q3s s LEU 89 CO 0.00 0.16 1.15 -2.16 0.23 0.00 0.00 176.35 175.73 2q3s s PRO 90 N -2.43 0.14 0.00 1.29 0.04 -1.26 -4.79 135.00 128.00 2q3s s PRO 90 Ca 0.28 0.12 -0.25 0.00 0.04 0.00 0.00 61.00 61.19 2q3s s PRO 90 Cb -0.12 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.55 2q3s s PRO 90 CO 0.21 -2.84 1.03 -0.22 0.04 0.00 0.00 177.00 175.22 2q3s h LYS 91 N -1.96 -0.83 -5.39 4.56 1.63 -1.98 -3.42 116.57 109.19 2q3s h LYS 91 Ca -0.49 0.06 -0.62 0.00 -0.85 0.00 0.00 60.65 58.75 2q3s h LYS 91 Cb 1.31 0.19 -0.12 0.00 -0.60 0.00 0.00 32.23 33.00 2q3s h LYS 91 CO 0.49 -0.54 -0.52 -1.25 -3.45 0.00 0.00 179.45 174.18 2q3s s PRO 92 N -4.44 3.91 0.27 1.90 0.04 -1.26 -4.93 135.00 130.49 2q3s s PRO 92 Ca -0.13 -0.25 -0.02 0.00 0.04 0.00 0.00 61.00 60.64 2q3s s PRO 92 Cb 0.01 -3.27 0.06 0.00 0.04 0.00 0.00 34.50 31.34 2q3s s PRO 92 CO 0.40 0.41 0.37 1.19 0.04 0.00 0.00 177.00 179.41 2q3s n PHE 93 N 3.14 -3.53 -3.74 0.56 3.72 -1.26 -5.01 117.46 111.34 2q3s n PHE 93 Ca -0.17 -0.50 -0.12 0.00 -0.05 0.00 0.00 57.45 56.60 2q3s n PHE 93 Cb 0.53 -0.28 -0.08 0.00 -0.94 0.00 0.00 39.48 38.71 2q3s n PHE 93 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2q3s s HIS 94 N -1.28 -0.16 0.00 1.38 3.76 -1.26 -5.04 115.29 112.68 2q3s s HIS 94 Ca 0.23 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.26 2q3s s HIS 94 Cb -0.01 0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.80 2q3s s HIS 94 CO 0.16 -0.48 0.00 -0.25 -0.85 0.00 0.00 174.74 173.31 2q3s n ASP 95 N 0.79 0.00 -0.17 1.40 9.92 -1.26 0.11 116.55 127.33 2q3s n ASP 95 Ca -0.19 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.05 2q3s n ASP 95 Cb 0.58 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.13 2q3s n ASP 95 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2q3s h ASN 96 N 0.00 -0.24 0.00 -2.24 -1.07 -1.85 0.40 115.58 110.57 2q3s h ASN 96 Ca 0.00 0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.50 2q3s h ASN 96 Cb 0.00 0.23 0.00 0.00 -2.07 0.00 0.00 38.32 36.48 2q3s h ASN 96 CO 0.00 -0.09 0.00 0.18 0.07 0.00 0.00 177.43 177.59 2q3s n LEU 97 N -5.25 0.00 -0.08 6.14 4.77 0.30 -2.37 117.00 120.51 2q3s n LEU 97 Ca 0.06 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 2q3s n LEU 97 Cb 0.29 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 2q3s n LEU 97 CO 0.14 0.00 0.62 0.50 -1.33 0.00 0.00 177.39 177.32 2q3s h LYS 98 N 0.00 0.78 -0.59 3.23 3.64 -1.09 -2.26 116.57 120.29 2q3s h LYS 98 Ca 0.00 -0.37 0.17 0.00 -1.27 0.00 0.00 60.65 59.18 2q3s h LYS 98 Cb 0.00 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2q3s h LYS 98 CO 0.00 1.00 0.57 -0.44 -2.27 0.00 0.00 179.45 178.31 2q3s h ASP 99 N 0.66 0.00 0.82 4.20 3.32 -1.70 0.24 116.42 123.97 2q3s h ASP 99 Ca 0.07 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.91 2q3s h ASP 99 Cb 0.87 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 2q3s h ASP 99 CO 0.08 0.00 -0.97 0.25 -1.72 0.00 0.00 179.24 176.88 2q3s h LEU 100 N 0.00 0.11 0.04 1.55 5.85 -1.65 -2.56 115.31 118.64 2q3s h LEU 100 Ca 0.28 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2q3s h LEU 100 Cb 1.41 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2q3s h LEU 100 CO -0.00 1.01 -0.02 1.88 -0.34 0.00 0.00 178.44 180.97 2q3s h TYR 101 N 0.03 -0.04 0.16 1.25 -1.99 -0.98 -2.73 116.97 112.67 2q3s h TYR 101 Ca -0.03 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2q3s h TYR 101 Cb 1.67 0.01 -0.03 0.00 2.00 0.00 0.00 36.73 40.39 2q3s h TYR 101 CO 0.01 0.56 -0.36 0.00 -0.00 0.00 0.00 178.16 178.37 2q3s h ARG 102 N -0.70 -0.55 -0.89 4.88 3.08 -1.56 -1.52 114.38 117.12 2q3s h ARG 102 Ca -0.00 0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.32 2q3s h ARG 102 Cb 0.62 0.12 -0.14 0.00 0.08 0.00 0.00 29.97 30.66 2q3s h ARG 102 CO 0.01 -0.37 0.30 0.35 -1.07 0.00 0.00 179.97 179.20 2q3s h PHE 103 N -0.57 0.48 0.00 3.04 3.57 -1.59 0.41 116.94 122.28 2q3s h PHE 103 Ca -0.02 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2q3s h PHE 103 Cb 0.54 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2q3s h PHE 103 CO -0.34 -0.17 -0.06 0.74 -2.23 0.00 0.00 178.31 176.25 2q3s h PHE 104 N 0.26 0.00 -0.01 0.41 0.05 -1.25 -2.72 116.94 113.68 2q3s h PHE 104 Ca 0.57 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.36 2q3s h PHE 104 Cb 1.15 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.10 2q3s h PHE 104 CO -0.21 0.06 -0.15 0.00 -0.18 0.00 0.00 178.31 177.83 2q3s n ALA 105 N -2.12 2.85 -1.76 2.45 0.00 0.13 -2.96 120.51 119.11 2q3s n ALA 105 Ca 0.02 -0.46 -0.38 0.00 0.00 0.00 0.00 53.44 52.62 2q3s n ALA 105 Cb 0.45 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.25 5.85 -0.22 0.00 0.15 -0.57 -4.14 113.70 112.52 2q3s s SER 106 Ca 0.30 2.47 0.15 0.00 0.70 0.00 0.00 55.95 59.57 2q3s s SER 106 Cb 0.20 -2.61 0.65 0.00 -1.71 0.00 0.00 66.02 62.55 2q3s s SER 106 CO 0.43 -1.15 1.58 0.29 1.20 0.00 0.00 173.24 175.58 2q3s n LYS 107 N -0.68 3.66 0.09 5.44 5.02 -1.26 -4.31 118.16 126.13 2q3s n LYS 107 Ca 0.08 -3.00 -0.01 0.00 -2.02 0.00 0.00 58.31 53.37 2q3s n LYS 107 Cb 0.47 -2.03 -0.04 0.00 -0.02 0.00 0.00 35.03 33.41 2q3s n LYS 107 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2q3s h PHE 108 N 2.63 0.00 -3.15 2.13 0.04 -1.94 -3.47 116.94 113.18 2q3s h PHE 108 Ca 0.03 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.33 2q3s h PHE 108 Cb 1.73 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.74 2q3s h PHE 108 CO 0.80 0.66 -0.56 0.14 -0.60 0.00 0.00 178.31 178.74 2q3s s VAL 109 N -2.88 0.69 -0.55 -0.55 -7.23 -1.26 -4.74 120.40 103.88 2q3s s VAL 109 Ca 0.02 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.17 2q3s s VAL 109 Cb 0.08 -2.55 0.14 0.00 0.56 0.00 0.00 36.38 34.62 2q3s s VAL 109 CO 0.78 0.00 0.35 -0.89 -0.31 0.00 0.00 175.10 175.03 2q3s s THR 110 N -3.40 3.37 -0.24 5.32 2.01 0.88 -4.84 115.64 118.74 2q3s s THR 110 Ca 0.32 -2.83 -0.32 0.00 0.31 0.00 0.00 61.69 59.17 2q3s s THR 110 Cb 0.06 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 2q3s s THR 110 CO 0.15 -0.82 2.15 0.49 -0.69 0.00 0.00 174.62 175.90 2q3s n PHE 111 N 3.66 1.91 -3.81 4.92 3.72 0.96 -3.71 117.46 125.10 2q3s n PHE 111 Ca 0.05 0.03 -0.36 0.00 -0.05 0.00 0.00 57.45 57.12 2q3s n PHE 111 Cb 0.38 -2.65 -0.13 0.00 -0.94 0.00 0.00 39.48 36.14 2q3s n PHE 111 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2q3s s VAL 112 N 7.13 3.69 0.32 -4.37 1.01 -0.76 0.20 120.40 127.61 2q3s s VAL 112 Ca 1.02 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 62.32 2q3s s VAL 112 Cb -0.59 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 2q3s s VAL 112 CO 0.43 0.13 -0.03 -0.83 0.00 0.00 0.00 175.10 174.80 2q3s s GLY 113 N 1.46 2.05 -0.26 4.51 0.00 0.59 -2.76 107.32 112.91 2q3s s GLY 113 Ca 0.02 -2.03 -0.08 0.00 0.00 0.00 0.00 44.72 42.64 2q3s s GLY 113 CO 0.01 -1.91 0.08 0.14 0.00 0.00 0.00 173.10 171.42 2q3s s VAL 114 N -2.94 4.33 -1.12 1.40 1.01 -1.26 0.76 120.40 122.59 2q3s s VAL 114 Ca 0.32 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 2q3s s VAL 114 Cb 0.05 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 2q3s s VAL 114 CO 0.14 0.28 0.79 0.00 0.00 0.00 0.00 175.10 176.32 2q3s n GLN 115 N 4.93 -1.24 -0.15 2.72 1.13 -1.26 -4.95 117.38 118.56 2q3s n GLN 115 Ca -0.16 0.50 0.05 0.00 -1.94 0.00 0.00 57.00 55.45 2q3s n GLN 115 Cb 0.51 -4.15 0.13 0.00 0.11 0.00 0.00 30.24 26.83 2q3s n GLN 115 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2q3s n ILE 116 N -4.07 1.04 -0.02 5.09 -5.35 -1.26 -4.70 119.36 110.09 2q3s n ILE 116 Ca -0.09 -1.03 -0.10 0.00 -0.27 0.00 0.00 62.75 61.26 2q3s n ILE 116 Cb 0.59 0.47 -0.04 0.00 -1.74 0.00 0.00 39.64 38.93 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 1.63 0.09 -0.57 6.28 4.81 -1.98 0.34 114.58 125.19 2q3s h GLU 117 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2q3s h GLU 117 Cb 0.71 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 2q3s h GLU 117 CO 0.01 0.06 0.23 0.93 -0.73 0.00 0.00 179.01 179.51 2q3s h GLU 118 N 0.10 0.85 -0.19 1.92 4.39 -2.01 -2.96 114.58 116.68 2q3s h GLU 118 Ca 0.06 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.64 2q3s h GLU 118 Cb 0.05 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2q3s h GLU 118 CO -0.08 0.73 -0.01 -0.44 -1.16 0.00 0.00 179.01 178.05 2q3s h ASP 119 N 0.79 -0.09 -0.23 1.42 3.32 -1.71 -0.11 116.42 119.81 2q3s h ASP 119 Ca 0.19 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.35 2q3s h ASP 119 Cb 0.20 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2q3s h ASP 119 CO -0.02 -0.02 0.39 -0.07 -1.72 0.00 0.00 179.24 177.81 2q3s h LEU 120 N 0.05 0.00 0.00 1.55 3.38 -0.17 -2.65 115.31 117.47 2q3s h LEU 120 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2q3s h LEU 120 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2q3s h LEU 120 CO -0.16 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.84 2q3s n ASP 121 N -3.36 0.00 -0.33 -0.43 8.00 -0.08 -1.73 116.55 118.62 2q3s n ASP 121 Ca 0.03 0.32 0.28 0.00 0.71 0.00 0.00 54.79 56.14 2q3s n ASP 121 Cb 0.51 -0.08 0.47 0.00 -0.02 0.00 0.00 41.12 41.99 2q3s n ASP 121 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2q3s n LEU 122 N -0.75 0.13 -0.06 0.64 4.77 -1.07 0.38 117.00 121.04 2q3s n LEU 122 Ca 0.00 0.92 -0.15 0.00 -0.03 0.00 0.00 56.01 56.76 2q3s n LEU 122 Cb 0.00 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 40.57 2q3s n LEU 122 CO 0.00 -1.00 0.47 -0.07 -1.33 0.00 0.00 177.39 175.46 2q3s h LEU 123 N 0.00 0.65 0.25 2.23 3.38 -1.55 0.14 115.31 120.42 2q3s h LEU 123 Ca 0.60 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2q3s h LEU 123 Cb 1.97 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2q3s h LEU 123 CO -0.30 1.09 -0.12 -0.09 0.09 0.00 0.00 178.44 179.11 2q3s h ARG 124 N 0.24 -0.33 -0.48 1.13 2.43 0.78 2.28 114.38 120.44 2q3s h ARG 124 Ca 0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2q3s h ARG 124 Cb 0.98 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 2q3s h ARG 124 CO 0.08 -0.07 0.29 0.93 -1.51 0.00 0.00 179.97 179.70 2q3s h GLU 125 N -1.02 0.66 0.01 0.20 5.08 -0.26 -2.01 114.58 117.24 2q3s h GLU 125 Ca -0.03 -0.06 -0.35 0.00 -1.00 0.00 0.00 59.36 57.91 2q3s h GLU 125 Cb 0.41 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2q3s h GLU 125 CO 0.06 0.49 -2.17 0.09 -1.00 0.00 0.00 179.01 176.47 2q3s n ASN 126 N -4.70 0.66 -0.00 1.42 4.13 0.49 -4.64 115.26 112.61 2q3s n ASN 126 Ca 0.02 0.12 0.02 0.00 1.68 0.00 0.00 54.58 56.42 2q3s n ASN 126 Cb 0.06 0.37 -0.03 0.00 -1.54 0.00 0.00 39.78 38.63 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 -2.96 0.00 -1.03 3.10 8.25 -0.57 -4.98 115.22 117.04 2q3s n HIS 127 Ca -0.30 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.15 2q3s n HIS 127 Cb 1.10 -0.09 -0.00 0.00 1.12 0.00 0.00 29.99 32.11 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 2.22 0.41 3.60 -1.41 0.00 0.73 -4.93 105.19 105.81 2q3s n GLY 128 Ca -0.01 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2q3s n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q3s s LEU 129 N -0.20 3.61 -0.12 0.99 1.43 0.10 -4.87 118.68 119.63 2q3s s LEU 129 Ca 0.00 0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 53.94 2q3s s LEU 129 Cb 0.00 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2q3s s LEU 129 CO 0.00 -1.42 0.08 -0.69 0.23 0.00 0.00 176.35 174.55 2q3s s VAL 130 N 5.43 4.99 -0.22 -1.59 1.01 -1.26 -3.58 120.40 125.18 2q3s s VAL 130 Ca 0.62 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.63 2q3s s VAL 130 Cb -0.15 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.12 2q3s s VAL 130 CO 0.32 0.59 -0.11 -0.63 0.00 0.00 0.00 175.10 175.27 2q3s s ILE 131 N -0.76 1.81 0.10 2.22 1.01 -1.26 -3.09 121.20 121.24 2q3s s ILE 131 Ca 0.13 -1.21 0.06 0.00 0.00 0.00 0.00 60.65 59.63 2q3s s ILE 131 Cb -0.12 -1.90 -0.22 0.00 0.01 0.00 0.00 42.46 40.23 2q3s s ILE 131 CO 0.03 0.11 1.20 0.03 0.00 0.00 0.00 174.94 176.31 2q3s h ARG 132 N 7.91 0.03 -3.07 2.79 3.08 -1.69 -3.41 114.38 120.02 2q3s h ARG 132 Ca -0.26 -0.05 -0.62 0.00 0.07 0.00 0.00 59.98 59.12 2q3s h ARG 132 Cb 1.08 0.02 -0.41 0.00 0.08 0.00 0.00 29.97 30.74 2q3s h ARG 132 CO 0.48 0.98 -0.64 1.21 -1.07 0.00 0.00 179.97 180.93 2q3s s ASN 133 N -6.71 4.29 0.28 7.04 3.04 -1.26 -5.07 114.94 116.55 2q3s s ASN 133 Ca -0.00 -3.50 0.08 0.00 0.04 0.00 0.00 52.86 49.48 2q3s s ASN 133 Cb 0.09 -1.47 -0.06 0.00 -1.54 0.00 0.00 41.25 38.28 2q3s s ASN 133 CO 0.83 -0.14 -0.10 0.00 -3.04 0.00 0.00 177.10 174.65 2q3s s ALA 134 N -0.92 2.46 -0.10 1.71 0.00 -1.26 -0.03 121.76 123.64 2q3s s ALA 134 Ca 0.23 -1.89 -0.04 0.00 0.00 0.00 0.00 51.96 50.26 2q3s s ALA 134 Cb -0.10 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.09 2q3s s ALA 134 CO -0.12 0.04 0.20 -1.50 0.00 0.00 0.00 175.76 174.38 2q3s s ILE 135 N -2.85 -0.22 -0.80 0.00 1.10 0.53 -4.89 121.20 114.07 2q3s s ILE 135 Ca 0.29 0.26 -0.25 0.00 -0.51 0.00 0.00 60.65 60.44 2q3s s ILE 135 Cb 0.01 -0.34 0.01 0.00 0.15 0.00 0.00 42.46 42.30 2q3s s ILE 135 CO 0.12 0.11 1.57 0.21 -2.11 0.00 0.00 174.94 174.85 2q3s s ASN 136 N 1.90 5.85 0.31 4.50 3.84 -1.26 -0.30 114.94 129.79 2q3s s ASN 136 Ca -0.02 -0.54 0.06 0.00 0.21 0.00 0.00 52.86 52.57 2q3s s ASN 136 Cb -0.12 -2.55 0.74 0.00 -0.55 0.00 0.00 41.25 38.77 2q3s s ASN 136 CO -0.07 -2.04 1.80 1.62 -2.79 0.00 0.00 177.10 175.62 2q3s h VAL 137 N 6.63 0.75 -0.33 -5.21 3.04 0.00 0.17 116.25 121.32 2q3s h VAL 137 Ca -0.10 -0.27 0.09 0.00 -1.01 0.00 0.00 66.70 65.42 2q3s h VAL 137 Cb 1.06 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.23 2q3s h VAL 137 CO 1.29 0.14 0.34 1.23 -1.01 0.00 0.00 177.57 179.56 2q3s h GLY 138 N 0.78 0.00 0.78 3.17 0.00 -1.86 -0.64 103.07 105.31 2q3s h GLY 138 Ca 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.87 2q3s h GLY 138 CO -0.33 0.00 0.01 1.70 0.00 0.00 0.00 176.54 177.92 2q3s h LYS 139 N 0.00 0.06 0.70 4.80 3.64 -0.95 -2.65 116.57 122.18 2q3s h LYS 139 Ca 0.16 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2q3s h LYS 139 Cb 0.83 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2q3s h LYS 139 CO -0.00 0.27 -0.34 1.25 -2.27 0.00 0.00 179.45 178.37 2q3s h LEU 140 N -0.16 -0.80 0.00 5.20 5.85 -1.23 -2.76 115.31 121.41 2q3s h LEU 140 Ca 0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2q3s h LEU 140 Cb 0.24 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2q3s h LEU 140 CO 0.00 -0.53 0.00 0.00 -0.34 0.00 0.00 178.44 177.57 2q3s n ALA 141 N -2.53 0.00 -0.35 1.25 0.00 -0.93 -0.66 120.51 117.30 2q3s n ALA 141 Ca -0.14 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.47 2q3s n ALA 141 Cb 0.39 0.47 0.38 0.00 0.00 0.00 0.00 19.45 20.69 2q3s n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q3s h ALA 142 N -1.09 1.79 0.00 0.00 0.00 -1.56 0.86 119.26 119.26 2q3s h ALA 142 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2q3s h ALA 142 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2q3s h ALA 142 CO 0.00 -0.25 -0.23 0.93 0.00 0.00 0.00 179.25 179.70 2q3s h GLU 143 N 0.60 0.00 0.00 0.00 5.08 -0.58 -2.33 114.58 117.36 2q3s h GLU 143 Ca 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.99 2q3s h GLU 143 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2q3s h GLU 143 CO -0.46 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 177.79 2q3s n ALA 144 N -2.48 0.00 0.00 3.43 0.00 0.29 -4.18 120.51 117.57 2q3s n ALA 144 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2q3s n ALA 144 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2q3s n ALA 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2q3s n ARG 145 N 0.00 0.00 -1.89 0.00 5.12 -0.87 -4.50 116.66 114.52 2q3s n ARG 145 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 2q3s n ARG 145 Cb 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.80 0.34 2.64 -0.13 0.00 -0.88 -4.99 105.19 101.38 2q3s n GLY 146 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 2q3s n GLY 146 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2q3s n THR 147 N -3.87 2.34 0.00 2.61 -1.04 -1.21 -4.97 114.28 108.15 2q3s n THR 147 Ca -0.01 -5.28 0.00 0.00 -2.04 0.00 0.00 64.05 56.72 2q3s n THR 147 Cb 0.45 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 2q3s n THR 147 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2q3s n LEU 148 N 0.29 0.00 0.00 -4.42 4.77 -1.26 -0.91 117.00 115.48 2q3s n LEU 148 Ca 0.30 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.36 2q3s n LEU 148 Cb 0.43 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 42.03 2q3s n LEU 148 CO 0.35 0.00 0.72 0.55 -1.33 0.00 0.00 177.39 177.67 2q3s n VAL 149 N -2.81 0.00 0.11 4.08 3.14 -1.26 -3.28 118.33 118.31 2q3s n VAL 149 Ca 0.00 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.20 2q3s n VAL 149 Cb 0.00 -0.73 -0.13 0.00 -1.06 0.00 0.00 33.84 31.92 2q3s n VAL 149 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2q3s h LEU 150 N 0.00 0.55 0.00 6.55 3.38 -1.35 -3.29 115.31 121.16 2q3s h LEU 150 Ca 0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2q3s h LEU 150 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2q3s h LEU 150 CO 0.00 1.42 0.00 1.21 0.09 0.00 0.00 178.44 181.16 2q3s n GLU 151 N -3.62 0.14 0.00 1.13 2.13 -1.21 -3.12 120.64 116.09 2q3s n GLU 151 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 2q3s n GLU 151 Cb 1.01 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 31.54 2q3s n GLU 151 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2q3s n PHE 152 N -0.68 0.00 -2.47 4.31 3.72 -1.24 -4.76 117.46 116.34 2q3s n PHE 152 Ca 0.01 -0.15 -0.31 0.00 -0.05 0.00 0.00 57.45 56.96 2q3s n PHE 152 Cb 0.01 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.29 3.62 0.00 4.37 1.43 -1.18 -5.08 118.68 121.54 2q3s s LEU 153 Ca 0.00 1.32 -0.15 0.00 -1.03 0.00 0.00 54.13 54.28 2q3s s LEU 153 Cb 0.00 -4.27 0.20 0.00 0.03 0.00 0.00 46.19 42.15 2q3s s LEU 153 CO 0.00 -0.58 1.18 0.61 0.23 0.00 0.00 176.35 177.79 2q3s n GLY 154 N -1.79 -1.48 0.00 -3.19 0.00 -1.26 -4.77 105.19 92.69 2q3s n GLY 154 Ca 0.04 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2q3s n GLY 154 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2q3s n THR 155 N -3.64 0.00 -0.23 2.61 -1.04 -1.26 -1.80 114.28 108.92 2q3s n THR 155 Ca 0.15 1.29 0.01 0.00 -2.04 0.00 0.00 64.05 63.46 2q3s n THR 155 Cb 0.51 -1.89 0.09 0.00 -1.82 0.00 0.00 70.33 67.23 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 0.04 0.00 -2.82 1.12 -1.95 0.78 114.38 111.55 2q3s h ARG 156 Ca 0.00 -0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 2q3s h ARG 156 Cb 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 29.94 2q3s h ARG 156 CO 0.00 0.03 -0.20 1.49 -3.11 0.00 0.00 179.97 178.18 2q3s h GLU 157 N 0.05 0.00 0.00 0.20 4.57 -1.91 0.91 114.58 118.40 2q3s h GLU 157 Ca 0.34 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.40 2q3s h GLU 157 Cb 0.55 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 2q3s h GLU 157 CO -0.64 0.20 -0.58 1.25 -1.18 0.00 0.00 179.01 178.06 2q3s h LEU 158 N 0.00 0.00 0.50 1.64 5.85 0.41 -1.40 115.31 122.31 2q3s h LEU 158 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2q3s h LEU 158 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2q3s h LEU 158 CO 0.03 0.58 -0.24 0.00 -0.34 0.00 0.00 178.44 178.46 2q3s h ALA 159 N 1.42 -0.67 0.65 1.25 0.00 0.66 -3.20 119.26 119.37 2q3s h ALA 159 Ca -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2q3s h ALA 159 Cb 1.43 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2q3s h ALA 159 CO 0.08 -0.84 -0.48 1.25 0.00 0.00 0.00 179.25 179.25 2q3s h HIS 160 N -0.73 -1.31 -0.10 0.00 -0.00 0.37 -2.02 115.15 111.35 2q3s h HIS 160 Ca -0.07 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.33 2q3s h HIS 160 Cb 0.54 0.49 -0.00 0.00 -0.00 0.00 0.00 27.41 28.43 2q3s h HIS 160 CO -0.03 -0.68 0.21 0.00 -0.00 0.00 0.00 177.93 177.43 2q3s h ARG 161 N -1.08 0.00 0.00 5.26 2.47 -1.37 0.82 114.38 120.48 2q3s h ARG 161 Ca -0.09 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.42 2q3s h ARG 161 Cb 0.90 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.18 2q3s h ARG 161 CO 0.03 0.00 -1.83 0.28 0.56 0.00 0.00 179.97 179.02 2q3s n VAL 162 N -3.36 0.83 0.44 2.04 0.31 -1.21 -4.79 118.33 112.60 2q3s n VAL 162 Ca -0.00 -0.38 0.05 0.00 -0.01 0.00 0.00 64.34 64.00 2q3s n VAL 162 Cb 0.31 -0.91 -0.07 0.00 -0.91 0.00 0.00 33.84 32.26 2q3s n VAL 162 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2q3s n LEU 163 N -2.76 0.44 -2.55 7.52 4.77 -0.76 -5.07 117.00 118.59 2q3s n LEU 163 Ca -0.24 -0.43 -0.23 0.00 -0.03 0.00 0.00 56.01 55.09 2q3s n LEU 163 Cb 0.81 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.92 2q3s n LEU 163 CO 0.18 0.11 -0.16 0.79 -1.33 0.00 0.00 177.39 176.98 2q3s n TRP 164 N -1.35 -1.54 -4.32 -1.77 7.02 0.28 -5.00 117.44 110.76 2q3s n TRP 164 Ca 0.01 0.64 -0.17 0.00 -1.02 0.00 0.00 57.50 56.97 2q3s n TRP 164 Cb 0.19 -1.08 -0.10 0.00 -2.42 0.00 0.00 31.31 27.90 2q3s n TRP 164 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2q3s s SER 165 N -1.02 1.34 -0.14 -0.99 0.01 -1.26 -5.09 113.70 106.55 2q3s s SER 165 Ca 0.21 -1.36 -0.29 0.00 1.31 0.00 0.00 55.95 55.82 2q3s s SER 165 Cb -0.02 0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.28 2q3s s SER 165 CO 0.52 -0.70 1.90 -0.62 0.41 0.00 0.00 173.24 174.75 2q3s s ASP 166 N -3.32 6.14 -0.05 2.44 3.68 -1.26 -4.88 116.67 119.42 2q3s s ASP 166 Ca 0.36 2.03 0.11 0.00 2.13 0.00 0.00 52.55 57.18 2q3s s ASP 166 Cb 0.08 -2.53 0.30 0.00 -1.45 0.00 0.00 42.92 39.33 2q3s s ASP 166 CO 0.13 -1.39 1.24 0.18 0.13 0.00 0.00 175.17 175.46 2q3s n LEU 167 N 9.07 2.95 0.11 -1.34 4.77 -1.26 -4.75 117.00 126.55 2q3s n LEU 167 Ca 0.22 -2.30 -0.01 0.00 -0.03 0.00 0.00 56.01 53.89 2q3s n LEU 167 Cb 0.44 -0.28 0.24 0.00 -2.33 0.00 0.00 43.42 41.49 2q3s n LEU 167 CO 0.66 0.68 0.65 1.23 -1.33 0.00 0.00 177.39 179.28 2q3s h GLY 168 N 1.50 0.22 1.36 -0.72 0.00 -1.97 0.49 103.07 103.94 2q3s h GLY 168 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 2q3s h GLY 168 CO 0.05 0.19 -0.21 -1.61 0.00 0.00 0.00 176.54 174.96 2q3s h GLN 169 N 0.17 0.74 0.09 4.80 5.75 -1.99 0.28 115.11 124.96 2q3s h GLN 169 Ca 0.01 -0.29 -0.00 0.00 -0.15 0.00 0.00 58.65 58.22 2q3s h GLN 169 Cb 0.80 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.31 2q3s h GLN 169 CO 0.06 0.89 -0.04 1.25 -2.65 0.00 0.00 178.83 178.34 2q3s h LEU 170 N 0.65 -0.10 -0.62 -2.39 5.85 -1.82 -3.10 115.31 113.78 2q3s h LEU 170 Ca 0.10 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.32 2q3s h LEU 170 Cb 0.70 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 2q3s h LEU 170 CO 0.05 0.54 0.41 0.44 -0.34 0.00 0.00 178.44 179.54 2q3s h ASP 171 N -0.83 0.71 -0.75 1.25 3.32 -0.01 -0.28 116.42 119.84 2q3s h ASP 171 Ca -0.01 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.03 2q3s h ASP 171 Cb 0.59 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 2q3s h ASP 171 CO 0.02 0.51 0.49 0.77 -1.72 0.00 0.00 179.24 179.31 2q3s h SER 172 N 0.84 0.85 0.00 6.45 4.64 -0.54 0.29 113.55 126.08 2q3s h SER 172 Ca 0.23 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.49 2q3s h SER 172 Cb -0.09 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.79 2q3s h SER 172 CO -0.05 0.61 -0.17 0.40 -0.87 0.00 0.00 176.83 176.74 2q3s h ILE 173 N 1.00 1.59 0.00 0.95 2.04 -1.35 -3.22 117.51 118.52 2q3s h ILE 173 Ca 0.28 -1.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.12 2q3s h ILE 173 Cb -0.10 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 2q3s h ILE 173 CO -0.06 0.53 -0.25 -0.33 0.00 0.00 0.00 178.15 178.04 2q3s h GLU 174 N -0.62 0.00 0.00 2.37 5.08 -0.69 -1.17 114.58 119.55 2q3s h GLU 174 Ca -0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2q3s h GLU 174 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2q3s h GLU 174 CO 0.03 0.25 -0.19 0.00 -1.00 0.00 0.00 179.01 178.11 2q3s h ALA 175 N 1.75 1.66 -0.69 3.43 0.00 -0.51 -1.67 119.26 123.23 2q3s h ALA 175 Ca -0.00 -0.17 -0.49 0.00 0.00 0.00 0.00 54.91 54.25 2q3s h ALA 175 Cb 0.52 -0.03 -0.33 0.00 0.00 0.00 0.00 17.79 17.95 2q3s h ALA 175 CO 0.03 0.23 -0.37 0.36 0.00 0.00 0.00 179.25 179.51 2q3s n LYS 176 N -4.28 3.06 -0.33 0.00 2.85 -0.51 -4.88 118.16 114.07 2q3s n LYS 176 Ca -0.02 -3.81 0.23 0.00 -1.05 0.00 0.00 58.31 53.66 2q3s n LYS 176 Cb 0.25 -2.17 0.43 0.00 -0.65 0.00 0.00 35.03 32.89 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 1.90 0.38 0.00 5.58 -0.00 -0.58 0.61 115.95 123.85 2q3s h TRP 177 Ca 0.37 0.06 0.00 0.00 -0.00 0.00 0.00 58.89 59.32 2q3s h TRP 177 Cb 1.38 -0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.54 2q3s h TRP 177 CO 0.99 -0.45 0.00 -0.85 -0.00 0.00 0.00 178.44 178.13 2q3s n GLU 178 N -5.37 0.67 0.00 2.65 0.00 -1.26 -3.61 120.64 113.72 2q3s n GLU 178 Ca 0.30 0.01 0.02 0.00 0.00 0.00 0.00 57.16 57.49 2q3s n GLU 178 Cb 1.01 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.95 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 -1.15 2.64 -2.13 3.44 5.02 0.21 -5.03 118.16 121.16 2q3s n LYS 179 Ca 0.18 -0.38 -0.41 0.00 -2.02 0.00 0.00 58.31 55.69 2q3s n LYS 179 Cb 0.17 -0.88 -0.02 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.84 3.50 1.04 7.82 0.00 -1.04 -4.98 121.76 127.25 2q3s s ALA 180 Ca 0.03 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 2q3s s ALA 180 Cb 0.03 -3.47 0.18 0.00 0.00 0.00 0.00 23.12 19.85 2q3s s ALA 180 CO 0.10 -0.62 0.86 0.41 0.00 0.00 0.00 175.76 176.51 2q3s n GLY 181 N 0.90 -1.43 0.31 0.00 0.00 -1.26 -4.76 105.19 98.95 2q3s n GLY 181 Ca 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 2q3s n GLY 181 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q3s h PRO 182 N -2.15 0.95 0.00 1.61 0.13 -1.99 -1.67 132.00 128.88 2q3s h PRO 182 Ca -0.51 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 64.39 2q3s h PRO 182 Cb 1.30 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2q3s h PRO 182 CO 0.42 0.85 -0.13 1.49 -0.23 0.00 0.00 178.00 180.40 2q3s h GLU 183 N 0.90 0.00 -0.01 0.86 4.81 -2.00 -1.90 114.58 117.25 2q3s h GLU 183 Ca 0.19 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 2q3s h GLU 183 Cb 0.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2q3s h GLU 183 CO 0.00 0.13 -0.61 0.93 -0.73 0.00 0.00 179.01 178.73 2q3s h GLU 184 N 0.00 0.02 -0.09 1.92 5.08 -1.63 -0.42 114.58 119.47 2q3s h GLU 184 Ca -0.00 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2q3s h GLU 184 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2q3s h GLU 184 CO 0.02 0.63 -0.59 1.96 -1.00 0.00 0.00 179.01 180.02 2q3s h GLN 185 N 0.02 0.28 -0.64 2.33 4.20 -1.07 -1.44 115.11 118.79 2q3s h GLN 185 Ca -0.01 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.44 2q3s h GLN 185 Cb 1.08 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 2q3s h GLN 185 CO 0.08 0.79 0.13 1.25 -0.67 0.00 0.00 178.83 180.41 2q3s h LEU 186 N 0.21 1.00 -1.13 1.46 6.46 -1.13 -2.53 115.31 119.65 2q3s h LEU 186 Ca -0.00 -0.25 0.05 0.00 -0.12 0.00 0.00 57.88 57.55 2q3s h LEU 186 Cb 1.10 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.71 2q3s h LEU 186 CO 0.09 0.99 0.59 -0.08 -0.62 0.00 0.00 178.44 179.42 2q3s h GLU 187 N 0.96 1.07 -0.32 1.25 4.81 -0.08 -0.74 114.58 121.52 2q3s h GLU 187 Ca 0.20 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 2q3s h GLU 187 Cb 0.40 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2q3s h GLU 187 CO 0.01 0.71 -0.19 0.00 -0.73 0.00 0.00 179.01 178.80 2q3s h ALA 188 N 1.48 0.45 -0.89 2.92 0.00 -1.07 -2.56 119.26 119.60 2q3s h ALA 188 Ca 0.37 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2q3s h ALA 188 Cb 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2q3s h ALA 188 CO -0.12 0.39 0.47 0.00 0.00 0.00 0.00 179.25 179.99 2q3s h ALA 189 N 0.75 1.15 -0.29 0.00 0.00 -1.01 -0.31 119.26 119.56 2q3s h ALA 189 Ca 0.07 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2q3s h ALA 189 Cb 0.74 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2q3s h ALA 189 CO 0.05 0.67 -0.32 0.00 0.00 0.00 0.00 179.25 179.66 2q3s h ALA 190 N 1.26 0.43 -0.59 0.00 0.00 -1.08 -1.07 119.26 118.22 2q3s h ALA 190 Ca 0.31 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2q3s h ALA 190 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2q3s h ALA 190 CO -0.05 0.47 0.15 0.82 0.00 0.00 0.00 179.25 180.64 2q3s h ILE 191 N 0.47 1.23 -0.06 0.00 2.04 -1.40 0.71 117.51 120.50 2q3s h ILE 191 Ca 0.04 -0.84 -0.11 0.00 1.00 0.00 0.00 64.86 64.96 2q3s h ILE 191 Cb 0.89 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2q3s h ILE 191 CO 0.08 0.32 -0.45 -0.33 0.00 0.00 0.00 178.15 177.77 2q3s h GLU 192 N 0.87 0.14 -0.28 2.37 5.08 -0.87 1.25 114.58 123.14 2q3s h GLU 192 Ca 0.19 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2q3s h GLU 192 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2q3s h GLU 192 CO -0.00 0.56 -0.03 0.78 -1.00 0.00 0.00 179.01 179.32 2q3s h GLY 193 N 1.32 0.56 0.89 -3.84 0.00 -0.71 -1.78 103.07 99.49 2q3s h GLY 193 Ca 0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 2q3s h GLY 193 CO 0.06 0.40 0.07 -0.25 0.00 0.00 0.00 176.54 176.83 2q3s h TRP 194 N 0.28 0.44 -0.86 5.60 7.01 0.06 -2.45 115.95 126.03 2q3s h TRP 194 Ca 0.07 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.03 2q3s h TRP 194 Cb 0.49 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.38 2q3s h TRP 194 CO 0.04 0.49 0.55 -0.07 -2.79 0.00 0.00 178.44 176.66 2q3s h LEU 195 N 0.26 1.01 -0.40 0.65 3.38 0.16 -2.47 115.31 117.91 2q3s h LEU 195 Ca 0.08 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 2q3s h LEU 195 Cb 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2q3s h LEU 195 CO -0.00 0.76 -0.56 0.40 0.09 0.00 0.00 178.44 179.13 2q3s h ILE 196 N 1.18 1.30 -0.33 1.22 1.08 -1.25 0.30 117.51 121.00 2q3s h ILE 196 Ca 0.31 -1.78 0.05 0.00 -0.39 0.00 0.00 64.86 63.05 2q3s h ILE 196 Cb -0.09 1.72 -0.05 0.00 -3.07 0.00 0.00 36.82 35.33 2q3s h ILE 196 CO -0.06 0.57 0.06 0.58 -0.69 0.00 0.00 178.15 178.60 2q3s h VAL 197 N 0.54 0.82 -0.27 1.67 2.07 -1.38 0.54 116.25 120.24 2q3s h VAL 197 Ca 0.01 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2q3s h VAL 197 Cb 1.14 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2q3s h VAL 197 CO 0.11 0.03 0.12 0.78 0.02 0.00 0.00 177.57 178.63 2q3s h ASN 198 N 0.17 0.36 -0.85 0.57 2.35 -1.23 0.98 115.58 117.92 2q3s h ASN 198 Ca 0.16 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2q3s h ASN 198 Cb 0.18 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.41 2q3s h ASN 198 CO -0.22 0.41 0.56 0.58 -1.65 0.00 0.00 177.43 177.12 2q3s h VAL 199 N 0.29 1.17 0.48 2.81 2.07 -0.02 0.65 116.25 123.69 2q3s h VAL 199 Ca 0.09 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2q3s h VAL 199 Cb 0.16 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2q3s h VAL 199 CO -0.01 0.20 -0.23 -0.25 0.02 0.00 0.00 177.57 177.30 2q3s h TRP 200 N 1.10 -0.60 -0.43 1.57 2.91 0.71 -1.92 115.95 119.28 2q3s h TRP 200 Ca 0.33 -0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.46 2q3s h TRP 200 Cb -0.03 0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.80 2q3s h TRP 200 CO -0.00 -0.37 0.49 -0.44 -1.03 0.00 0.00 178.44 177.09 2q3s h ASP 201 N -1.00 0.00 0.81 2.65 3.32 0.12 0.75 116.42 123.08 2q3s h ASP 201 Ca -0.07 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.77 2q3s h ASP 201 Cb 0.49 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2q3s h ASP 201 CO 0.11 0.00 -0.98 1.56 -1.72 0.00 0.00 179.24 178.21 2q3s h GLN 202 N 0.00 0.09 0.00 3.56 1.08 0.40 -3.39 115.11 116.85 2q3s h GLN 202 Ca 0.21 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2q3s h GLN 202 Cb 1.19 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2q3s h GLN 202 CO -0.00 0.99 0.00 1.28 -0.95 0.00 0.00 178.83 180.15 2q3s n LEU 203 N -3.49 2.11 0.00 1.46 4.77 0.24 -3.99 117.00 118.10 2q3s n LEU 203 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2q3s n LEU 203 Cb 0.90 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 2q3s n LEU 203 CO 0.48 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.30 2q3s n SER 204 N -0.61 0.00 0.00 -1.43 2.88 0.17 0.13 113.62 114.77 2q3s n SER 204 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2q3s n SER 204 Cb 0.00 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2q3s n SER 204 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2q3s n ASP 205 N -0.52 4.77 0.00 -3.46 5.68 -1.26 -5.10 116.55 116.66 2q3s n ASP 205 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.32 2q3s n ASP 205 Cb 0.00 0.86 0.20 0.00 -1.14 0.00 0.00 41.12 41.04 2q3s n ASP 205 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03