#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 1.89 -3.44 7.33 0.00 -1.26 -4.99 120.51 120.04 2q3s n ALA 2 Ca 0.00 0.42 -0.16 0.00 0.00 0.00 0.00 53.44 53.70 2q3s n ALA 2 Cb 0.00 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 16.98 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 0.84 -0.53 -1.10 0.00 1.04 -1.26 -5.02 113.70 107.68 2q3s s SER 3 Ca 0.74 0.57 -0.22 0.00 0.48 0.00 0.00 55.95 57.52 2q3s s SER 3 Cb -0.60 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 2q3s s SER 3 CO 0.39 -0.54 1.81 -0.36 0.98 0.00 0.00 173.24 175.52 2q3s s PHE 4 N -1.14 2.19 -1.45 5.02 0.40 -1.26 -4.63 117.98 117.11 2q3s s PHE 4 Ca -0.11 -0.16 0.14 0.00 -0.60 0.00 0.00 56.93 56.20 2q3s s PHE 4 Cb -0.02 -4.30 0.25 0.00 0.51 0.00 0.00 43.02 39.47 2q3s s PHE 4 CO 0.08 -1.62 1.14 -0.40 0.70 0.00 0.00 175.22 175.12 2q3s n ASP 5 N 12.02 2.69 -2.79 1.36 5.68 -0.83 -4.37 116.55 130.31 2q3s n ASP 5 Ca 0.42 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 2q3s n ASP 5 Cb 0.47 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2q3s n ASP 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2q3s n GLY 6 N 0.78 -1.59 3.67 6.12 0.00 -0.34 -4.94 105.19 108.90 2q3s n GLY 6 Ca 0.12 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.58 1.75 -4.16 1.61 -0.04 -1.26 -4.26 135.00 128.06 2q3s n PRO 7 Ca 0.00 0.62 -0.30 0.00 -0.04 0.00 0.00 63.50 63.78 2q3s n PRO 7 Cb 0.00 -2.26 -0.08 0.00 -0.04 0.00 0.00 33.50 31.12 2q3s n PRO 7 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2q3s s LYS 8 N -2.11 2.56 0.06 0.54 -2.85 -1.26 -2.24 119.74 114.44 2q3s s LYS 8 Ca 0.61 -0.82 0.07 0.00 -1.00 0.00 0.00 55.97 54.84 2q3s s LYS 8 Cb -0.53 -2.54 -0.03 0.00 -2.06 0.00 0.00 37.83 32.66 2q3s s LYS 8 CO 0.58 0.55 -0.19 -0.06 0.10 0.00 0.00 175.35 176.32 2q3s s PHE 9 N -1.27 1.68 0.59 1.78 0.08 0.62 -4.89 117.98 116.57 2q3s s PHE 9 Ca 0.25 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.96 2q3s s PHE 9 Cb -0.12 -0.97 0.08 0.00 -0.57 0.00 0.00 43.02 41.44 2q3s s PHE 9 CO 0.17 0.12 0.82 0.21 -0.10 0.00 0.00 175.22 176.44 2q3s s LYS 10 N -1.43 2.21 -0.08 0.44 2.20 -1.25 0.16 119.74 121.99 2q3s s LYS 10 Ca 0.06 -1.35 0.15 0.00 -0.36 0.00 0.00 55.97 54.46 2q3s s LYS 10 Cb -0.09 -2.55 0.56 0.00 -1.51 0.00 0.00 37.83 34.23 2q3s s LYS 10 CO 0.02 -0.94 1.44 0.25 -0.36 0.00 0.00 175.35 175.76 2q3s n THR 12 N -2.37 1.35 0.12 3.43 -2.24 -1.26 -4.89 114.28 108.41 2q3s n THR 12 Ca 0.14 -0.90 0.01 0.00 -2.27 0.00 0.00 64.05 61.04 2q3s n THR 12 Cb 0.61 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 0.87 0.92 0.00 3.42 5.75 -1.26 -4.98 116.55 121.26 2q3s n ASP 13 Ca 0.20 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 2q3s n ASP 13 Cb 0.70 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 41.07 2q3s n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2q3s n GLY 14 N 0.42 0.60 3.83 6.12 0.00 -1.26 -5.07 105.19 109.83 2q3s n GLY 14 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.18 3.95 -0.10 1.61 1.04 -1.26 -5.00 113.70 111.76 2q3s s SER 15 Ca 0.00 0.94 -0.00 0.00 0.48 0.00 0.00 55.95 57.37 2q3s s SER 15 Cb 0.00 -1.51 0.02 0.00 0.10 0.00 0.00 66.02 64.64 2q3s s SER 15 CO 0.00 -2.27 -0.07 -0.31 0.98 0.00 0.00 173.24 171.57 2q3s s TYR 16 N -3.36 1.35 -0.15 5.02 1.51 -1.25 -3.91 117.35 116.56 2q3s s TYR 16 Ca 0.63 -0.63 -0.22 0.00 -1.01 0.00 0.00 57.07 55.84 2q3s s TYR 16 Cb -0.13 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 2q3s s TYR 16 CO 0.52 -0.46 0.66 0.08 -1.11 0.00 0.00 175.55 175.25 2q3s s VAL 17 N 1.62 5.03 -0.23 0.71 1.01 0.42 -4.81 120.40 124.15 2q3s s VAL 17 Ca 0.03 1.30 -0.11 0.00 0.00 0.00 0.00 61.98 63.20 2q3s s VAL 17 Cb -0.13 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 2q3s s VAL 17 CO -0.07 0.16 0.18 -1.10 0.00 0.00 0.00 175.10 174.27 2q3s s GLN 18 N 1.47 4.09 0.63 2.72 -0.21 -0.75 -0.28 119.66 127.35 2q3s s GLN 18 Ca 0.32 -0.23 -0.08 0.00 0.02 0.00 0.00 55.36 55.40 2q3s s GLN 18 Cb -0.16 -3.53 0.01 0.00 1.00 0.00 0.00 33.01 30.33 2q3s s GLN 18 CO 0.13 0.08 0.98 0.95 -2.12 0.00 0.00 175.29 175.31 2q3s s THR 19 N 1.00 3.69 -0.33 -0.19 -4.23 -0.95 -3.10 115.64 111.53 2q3s s THR 19 Ca 0.08 0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.85 2q3s s THR 19 Cb -0.13 -3.50 0.19 0.00 1.34 0.00 0.00 72.50 70.39 2q3s s THR 19 CO 0.04 -0.58 0.77 -0.75 -0.54 0.00 0.00 174.62 173.56 2q3s s LYS 20 N -5.14 0.50 -0.27 3.99 2.47 -1.17 -1.20 119.74 118.92 2q3s s LYS 20 Ca 0.55 0.12 -0.09 0.00 -1.56 0.00 0.00 55.97 54.98 2q3s s LYS 20 Cb -0.11 0.13 -0.04 0.00 -1.46 0.00 0.00 37.83 36.35 2q3s s LYS 20 CO 0.48 -0.81 0.14 0.99 0.16 0.00 0.00 175.35 176.31 2q3s s THR 21 N 2.40 4.87 -0.11 3.43 2.01 -1.26 -3.10 115.64 123.88 2q3s s THR 21 Ca 0.16 -0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.19 2q3s s THR 21 Cb -0.04 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2q3s s THR 21 CO -0.18 0.27 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.17 2q3s s ILE 22 N 1.69 2.04 -0.75 1.82 1.01 -0.69 -5.01 121.20 121.31 2q3s s ILE 22 Ca 0.07 -0.99 -0.26 0.00 0.00 0.00 0.00 60.65 59.46 2q3s s ILE 22 Cb -0.16 -1.78 0.04 0.00 0.01 0.00 0.00 42.46 40.57 2q3s s ILE 22 CO 0.08 0.55 1.25 -1.81 0.00 0.00 0.00 174.94 175.01 2q3s s ASP 23 N 0.53 6.19 0.35 3.58 1.01 -1.26 -2.15 116.67 124.92 2q3s s ASP 23 Ca -0.14 -0.59 -0.28 0.00 0.71 0.00 0.00 52.55 52.24 2q3s s ASP 23 Cb -0.17 -2.54 -0.11 0.00 1.01 0.00 0.00 42.92 41.11 2q3s s ASP 23 CO 0.05 -1.77 1.38 -0.69 0.21 0.00 0.00 175.17 174.35 2q3s s VAL 24 N 5.47 2.45 0.00 -1.27 1.01 -0.53 -4.93 120.40 122.61 2q3s s VAL 24 Ca 0.34 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2q3s s VAL 24 Cb -0.09 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2q3s s VAL 24 CO 0.13 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2q3s n GLY 25 N 0.68 5.29 0.25 4.51 0.00 -1.26 -4.39 105.19 110.27 2q3s n GLY 25 Ca 0.00 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 1.61 4.64 -1.97 -3.31 113.55 114.52 2q3s h SER 26 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2q3s h SER 26 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2q3s h SER 26 CO 0.00 0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 174.56 2q3s n SER 27 N -3.45 0.43 -4.35 4.97 3.41 -1.26 -4.74 113.62 108.62 2q3s n SER 27 Ca -0.01 -0.80 -0.37 0.00 -0.26 0.00 0.00 58.87 57.43 2q3s n SER 27 Cb 0.31 0.17 0.04 0.00 -0.26 0.00 0.00 64.21 64.47 2q3s n SER 27 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2q3s n THR 28 N -0.17 1.15 -3.87 6.66 -1.04 -1.25 -4.94 114.28 110.82 2q3s n THR 28 Ca 0.00 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.05 61.26 2q3s n THR 28 Cb 0.07 -0.44 -0.14 0.00 -1.82 0.00 0.00 70.33 68.00 2q3s n THR 28 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2q3s s ASP 29 N -1.24 4.27 0.03 8.00 3.68 -1.26 -4.84 116.67 125.30 2q3s s ASP 29 Ca 0.61 -2.23 0.27 0.00 2.13 0.00 0.00 52.55 53.32 2q3s s ASP 29 Cb -0.38 -1.29 0.92 0.00 -1.45 0.00 0.00 42.92 40.72 2q3s s ASP 29 CO 0.63 -0.34 1.73 2.30 0.13 0.00 0.00 175.17 179.61 2q3s n ILE 30 N 4.11 0.10 0.26 4.11 -5.35 -1.26 -3.91 119.36 117.41 2q3s n ILE 30 Ca 0.03 -0.05 0.08 0.00 -0.27 0.00 0.00 62.75 62.54 2q3s n ILE 30 Cb 0.39 -0.28 0.65 0.00 -1.74 0.00 0.00 39.64 38.66 2q3s n ILE 30 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2q3s h SER 31 N 0.00 0.00 0.13 7.28 4.64 -1.96 0.12 113.55 123.75 2q3s h SER 31 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2q3s h SER 31 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2q3s h SER 31 CO 0.00 0.03 -0.06 -0.65 -0.87 0.00 0.00 176.83 175.28 2q3s h PRO 32 N 0.00 -0.17 0.00 4.77 0.11 -2.01 -0.95 132.00 133.76 2q3s h PRO 32 Ca -0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2q3s h PRO 32 Cb 0.06 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2q3s h PRO 32 CO 0.00 0.12 0.00 0.66 -0.21 0.00 0.00 178.00 178.58 2q3s n TYR 33 N -5.04 0.25 0.07 0.65 4.01 -1.11 -2.48 117.16 113.52 2q3s n TYR 33 Ca -0.09 0.08 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 2q3s n TYR 33 Cb 0.20 -0.64 -0.06 0.00 -0.31 0.00 0.00 39.34 38.54 2q3s n TYR 33 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2q3s h LEU 34 N 0.00 0.00 -0.01 7.72 3.38 -0.60 -3.27 115.31 122.53 2q3s h LEU 34 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2q3s h LEU 34 Cb 0.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.20 2q3s h LEU 34 CO 0.00 0.64 -1.11 0.28 0.09 0.00 0.00 178.44 178.34 2q3s h SER 35 N 0.00 0.58 -0.54 -0.43 0.02 -0.85 -2.65 113.55 109.67 2q3s h SER 35 Ca -0.10 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.32 2q3s h SER 35 Cb 1.58 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.91 2q3s h SER 35 CO 0.07 1.35 0.32 -0.07 -1.14 0.00 0.00 176.83 177.36 2q3s h LEU 36 N 0.19 0.67 -0.09 5.07 3.38 -1.62 0.41 115.31 123.31 2q3s h LEU 36 Ca -0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2q3s h LEU 36 Cb 1.78 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 2q3s h LEU 36 CO 0.19 0.52 -0.00 0.40 0.09 0.00 0.00 178.44 179.65 2q3s h ILE 37 N 0.77 1.25 -0.04 1.22 1.08 -1.58 -1.00 117.51 119.21 2q3s h ILE 37 Ca 0.20 -0.79 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 2q3s h ILE 37 Cb -0.01 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2q3s h ILE 37 CO -0.04 0.22 0.00 -0.09 -0.69 0.00 0.00 178.15 177.56 2q3s h ARG 38 N -0.13 0.02 0.04 2.37 2.43 -1.04 -0.59 114.38 117.48 2q3s h ARG 38 Ca 0.02 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2q3s h ARG 38 Cb 0.35 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2q3s h ARG 38 CO 0.00 0.01 -0.16 1.49 -1.51 0.00 0.00 179.97 179.81 2q3s h GLU 39 N 0.02 -0.28 -0.03 0.20 4.81 -0.19 -0.59 114.58 118.52 2q3s h GLU 39 Ca 0.02 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2q3s h GLU 39 Cb 0.02 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2q3s h GLU 39 CO -0.03 -0.18 -0.19 0.22 -0.73 0.00 0.00 179.01 178.10 2q3s h ASP 40 N -0.29 0.05 0.35 1.04 1.82 -1.08 0.14 116.42 118.45 2q3s h ASP 40 Ca 0.04 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 2q3s h ASP 40 Cb 0.33 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.33 2q3s h ASP 40 CO -0.12 0.24 -0.17 -1.28 -1.61 0.00 0.00 179.24 176.30 2q3s h SER 41 N 0.05 -0.40 -1.00 2.28 0.87 -0.69 -0.83 113.55 113.83 2q3s h SER 41 Ca 0.01 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2q3s h SER 41 Cb 0.37 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.38 2q3s h SER 41 CO 0.03 0.03 0.66 0.40 -0.53 0.00 0.00 176.83 177.41 2q3s h ILE 42 N -0.94 1.26 -0.02 2.23 2.04 -0.89 0.52 117.51 121.71 2q3s h ILE 42 Ca -0.05 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 2q3s h ILE 42 Cb 0.53 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2q3s h ILE 42 CO 0.08 0.25 -0.21 -0.07 0.00 0.00 0.00 178.15 178.20 2q3s h LEU 43 N 1.36 0.22 0.00 1.44 3.38 -0.79 -3.41 115.31 117.50 2q3s h LEU 43 Ca 0.37 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2q3s h LEU 43 Cb -0.15 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2q3s h LEU 43 CO -0.08 0.90 -0.93 0.59 0.09 0.00 0.00 178.44 179.01 2q3s n ASN 44 N -4.55 4.65 -0.64 -0.43 3.02 -0.66 -4.80 115.26 111.85 2q3s n ASN 44 Ca -0.09 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.50 2q3s n ASN 44 Cb 0.46 0.73 0.14 0.00 -0.61 0.00 0.00 39.78 40.50 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 2.53 0.67 2.56 7.41 0.00 0.17 -4.89 105.19 113.64 2q3s n GLY 45 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 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 0.38 -5.27 -1.83 1.61 5.03 -0.60 -2.74 115.26 111.84 2q3s n ASN 46 Ca 0.10 -0.02 -0.17 0.00 0.87 0.00 0.00 54.58 55.37 2q3s n ASN 46 Cb 0.31 -4.38 -0.02 0.00 -1.02 0.00 0.00 39.78 34.68 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 -3.15 -1.31 -4.15 3.52 1.74 -0.35 -4.95 116.66 108.01 2q3s n ARG 47 Ca -0.19 0.84 -0.29 0.00 -0.77 0.00 0.00 57.85 57.44 2q3s n ARG 47 Cb 0.65 -5.25 -0.08 0.00 -1.02 0.00 0.00 32.46 26.76 2q3s n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2q3s s ALA 48 N -2.81 3.26 -0.09 7.54 0.00 -1.11 -1.30 121.76 127.25 2q3s s ALA 48 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.80 2q3s s ALA 48 Cb 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 21.99 2q3s s ALA 48 CO 0.00 0.65 -0.12 0.08 0.00 0.00 0.00 175.76 176.38 2q3s s VAL 49 N -1.39 1.20 -0.15 0.00 1.01 -0.70 -4.77 120.40 115.61 2q3s s VAL 49 Ca 0.26 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 2q3s s VAL 49 Cb -0.11 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2q3s s VAL 49 CO 0.18 0.38 0.37 -0.63 0.00 0.00 0.00 175.10 175.40 2q3s s ILE 50 N 1.04 5.25 0.32 2.22 1.09 -0.45 -1.71 121.20 128.96 2q3s s ILE 50 Ca -0.07 0.71 0.05 0.00 -1.10 0.00 0.00 60.65 60.24 2q3s s ILE 50 Cb -0.15 -3.71 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 2q3s s ILE 50 CO -0.01 0.35 0.21 0.72 -0.10 0.00 0.00 174.94 176.11 2q3s s PHE 51 N 0.63 1.64 -0.08 3.97 -0.12 -1.07 -1.08 117.98 121.88 2q3s s PHE 51 Ca 0.20 -1.52 -0.30 0.00 -0.05 0.00 0.00 56.93 55.27 2q3s s PHE 51 Cb -0.14 -0.78 0.11 0.00 -0.63 0.00 0.00 43.02 41.58 2q3s s PHE 51 CO 0.07 -0.70 0.89 0.34 -0.05 0.00 0.00 175.22 175.77 2q3s s ASP 52 N -3.37 -0.43 0.13 1.98 -1.08 -1.04 -4.66 116.67 108.21 2q3s s ASP 52 Ca 0.37 0.31 0.07 0.00 -0.52 0.00 0.00 52.55 52.78 2q3s s ASP 52 Cb 0.04 0.38 -0.04 0.00 -1.46 0.00 0.00 42.92 41.84 2q3s s ASP 52 CO 0.22 -0.51 -0.16 0.68 0.52 0.00 0.00 175.17 175.91 2q3s s VAL 53 N -1.91 1.54 0.01 1.11 -7.23 -1.26 -0.37 120.40 112.29 2q3s s VAL 53 Ca -0.01 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 58.47 2q3s s VAL 53 Cb -0.01 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.31 2q3s s VAL 53 CO -0.01 -0.32 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.01 2q3s s TYR 54 N -1.92 1.20 0.03 2.82 1.51 -0.92 -5.00 117.35 115.07 2q3s s TYR 54 Ca 0.10 -0.28 0.04 0.00 -1.01 0.00 0.00 57.07 55.93 2q3s s TYR 54 Cb -0.06 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 41.01 2q3s s TYR 54 CO 0.04 0.00 -0.09 -1.58 -1.11 0.00 0.00 175.55 172.82 2q3s s TRP 55 N -0.54 2.82 -0.83 2.71 0.52 -1.26 -1.71 118.94 120.65 2q3s s TRP 55 Ca 0.04 -0.09 -0.02 0.00 0.02 0.00 0.00 56.10 56.04 2q3s s TRP 55 Cb -0.06 -1.56 0.34 0.00 -1.15 0.00 0.00 33.47 31.04 2q3s s TRP 55 CO 0.00 0.36 2.06 -3.47 0.02 0.00 0.00 176.95 175.92 2q3s n ASP 56 N 1.40 7.51 -1.10 2.95 4.64 0.44 -4.77 116.55 127.62 2q3s n ASP 56 Ca -0.15 -3.82 -0.15 0.00 -1.38 0.00 0.00 54.79 49.30 2q3s n ASP 56 Cb 0.52 -1.07 -0.02 0.00 -1.04 0.00 0.00 41.12 39.51 2q3s n ASP 56 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 2q3s n VAL 57 N -0.50 0.00 -4.39 5.18 0.31 -1.26 -4.64 118.33 113.02 2q3s n VAL 57 Ca 0.54 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.67 2q3s n VAL 57 Cb 0.25 -0.03 -0.10 0.00 -0.91 0.00 0.00 33.84 33.06 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 0.17 2.07 -0.26 2.92 0.00 -1.26 -5.01 107.32 105.95 2q3s s GLY 58 Ca 0.23 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.15 2q3s s GLY 58 CO 0.15 -1.69 -0.02 -1.36 0.00 0.00 0.00 173.10 170.18 2q3s s PHE 59 N -3.50 3.07 0.00 1.90 2.99 -1.26 -4.76 117.98 116.43 2q3s s PHE 59 Ca 0.34 -1.31 0.00 0.00 0.00 0.00 0.00 56.93 55.96 2q3s s PHE 59 Cb 0.06 -2.12 0.00 0.00 0.00 0.00 0.00 43.02 40.96 2q3s s PHE 59 CO 0.15 -0.66 0.00 -2.37 -0.00 0.00 0.00 175.22 172.34 2q3s n THR 66 N 4.74 0.00 0.12 0.64 5.66 -1.26 -4.88 114.28 119.30 2q3s n THR 66 Ca -0.16 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 60.99 2q3s n THR 66 Cb 0.48 0.00 0.67 0.00 -1.55 0.00 0.00 70.33 69.93 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 0.75 0.00 0.00 1.09 6.56 -2.05 -1.05 116.57 121.86 2q3s h LYS 67 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2q3s h LYS 67 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2q3s h LYS 67 CO 0.00 0.00 -0.27 0.25 -2.06 0.00 0.00 179.45 177.37 2q3s n THR 68 N -4.43 0.43 0.22 -0.16 -2.24 -1.26 -3.77 114.28 103.08 2q3s n THR 68 Ca 0.04 -0.25 0.11 0.00 -2.27 0.00 0.00 64.05 61.68 2q3s n THR 68 Cb 0.37 -0.36 0.60 0.00 -2.10 0.00 0.00 70.33 68.84 2q3s n THR 68 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2q3s h SER 69 N 0.00 0.00 0.56 3.42 4.64 -1.61 0.32 113.55 120.87 2q3s h SER 69 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2q3s h SER 69 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2q3s h SER 69 CO 0.00 0.00 -0.79 1.23 -0.87 0.00 0.00 176.83 176.40 2q3s h GLY 70 N 0.00 0.19 -5.81 -0.77 0.00 -1.75 -3.46 103.07 91.48 2q3s h GLY 70 Ca 0.00 -0.30 -0.73 0.00 0.00 0.00 0.00 47.33 46.30 2q3s h GLY 70 CO 0.00 0.27 0.45 0.79 0.00 0.00 0.00 176.54 178.05 2q3s n TRP 71 N -3.71 1.42 -4.45 5.60 7.02 0.10 -4.51 117.44 118.92 2q3s n TRP 71 Ca -0.03 0.74 -0.20 0.00 -1.02 0.00 0.00 57.50 56.99 2q3s n TRP 71 Cb 0.75 -2.29 -0.14 0.00 -2.42 0.00 0.00 31.31 27.20 2q3s n TRP 71 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2q3s s SER 72 N 1.02 1.56 -0.21 -0.99 0.15 -1.26 -4.91 113.70 109.06 2q3s s SER 72 Ca 0.89 -0.35 -0.29 0.00 0.70 0.00 0.00 55.95 56.90 2q3s s SER 72 Cb -1.07 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 2q3s s SER 72 CO 0.54 0.09 1.13 -0.22 1.20 0.00 0.00 173.24 175.97 2q3s s LEU 73 N -0.75 4.13 -0.26 3.45 2.96 -1.26 0.17 118.68 127.11 2q3s s LEU 73 Ca 0.03 1.49 -0.06 0.00 -0.22 0.00 0.00 54.13 55.38 2q3s s LEU 73 Cb -0.06 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.94 2q3s s LEU 73 CO 0.00 -0.71 -0.29 -1.54 -1.32 0.00 0.00 176.35 172.50 2q3s n SER 74 N 6.44 1.97 -4.04 3.68 3.41 -0.69 -4.78 113.62 119.62 2q3s n SER 74 Ca 0.13 0.09 -0.09 0.00 -0.26 0.00 0.00 58.87 58.73 2q3s n SER 74 Cb 0.46 -0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 63.72 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 -6.96 0.18 0.02 4.04 1.04 -1.22 0.16 113.70 110.98 2q3s s SER 75 Ca -0.36 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.07 2q3s s SER 75 Cb 0.12 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 2q3s s SER 75 CO 0.54 -0.80 -0.03 0.68 0.98 0.00 0.00 173.24 174.61 2q3s s VAL 76 N -3.99 0.17 -0.07 5.02 -7.23 -0.50 -2.17 120.40 111.64 2q3s s VAL 76 Ca 0.18 -0.77 0.02 0.00 -1.81 0.00 0.00 61.98 59.61 2q3s s VAL 76 Cb 0.05 -0.28 -0.02 0.00 0.56 0.00 0.00 36.38 36.69 2q3s s VAL 76 CO -0.01 -0.38 -0.13 -0.75 -0.31 0.00 0.00 175.10 173.52 2q3s s LYS 77 N -1.20 2.72 -0.21 4.82 2.20 0.50 -1.23 119.74 127.35 2q3s s LYS 77 Ca -0.12 -0.67 -0.04 0.00 -0.36 0.00 0.00 55.97 54.78 2q3s s LYS 77 Cb -0.08 -2.46 0.11 0.00 -1.51 0.00 0.00 37.83 33.89 2q3s s LYS 77 CO -0.01 0.54 0.34 -0.51 -0.36 0.00 0.00 175.35 175.36 2q3s s LEU 78 N -0.51 -0.49 0.13 5.43 1.43 0.27 -2.48 118.68 122.46 2q3s s LEU 78 Ca 0.07 0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.45 2q3s s LEU 78 Cb -0.12 0.97 -0.00 0.00 0.03 0.00 0.00 46.19 47.06 2q3s s LEU 78 CO 0.02 -0.28 0.25 -0.94 0.23 0.00 0.00 176.35 175.62 2q3s s SER 79 N 2.50 0.06 0.53 2.29 1.04 -0.24 0.13 113.70 120.01 2q3s s SER 79 Ca 0.07 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.76 2q3s s SER 79 Cb -0.14 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.38 2q3s s SER 79 CO -0.13 -0.82 0.12 0.42 0.98 0.00 0.00 173.24 173.80 2q3s s THR 80 N -3.92 1.24 0.39 2.02 -4.23 0.69 -1.34 115.64 110.48 2q3s s THR 80 Ca 0.11 -1.86 0.20 0.00 -1.18 0.00 0.00 61.69 58.97 2q3s s THR 80 Cb 0.04 -2.09 0.40 0.00 1.34 0.00 0.00 72.50 72.18 2q3s s THR 80 CO -0.05 0.00 1.70 -0.09 -0.54 0.00 0.00 174.62 175.64 2q3s h ARG 81 N 1.15 0.30 0.00 3.99 2.43 -1.92 -2.18 114.38 118.16 2q3s h ARG 81 Ca -0.42 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2q3s h ARG 81 Cb 1.32 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2q3s h ARG 81 CO 0.69 0.20 -1.58 0.09 -1.51 0.00 0.00 179.97 177.85 2q3s n ASN 82 N -4.76 0.68 -4.33 -3.80 3.02 -1.26 -4.79 115.26 100.03 2q3s n ASN 82 Ca 0.30 -0.28 -0.18 0.00 -0.03 0.00 0.00 54.58 54.40 2q3s n ASN 82 Cb 1.04 1.62 -0.10 0.00 -0.61 0.00 0.00 39.78 41.73 2q3s n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2q3s s LEU 83 N -3.91 2.55 -0.16 3.41 1.43 -0.82 -1.80 118.68 119.38 2q3s s LEU 83 Ca -0.03 -1.01 -0.06 0.00 -1.03 0.00 0.00 54.13 52.00 2q3s s LEU 83 Cb 0.13 -0.61 0.08 0.00 0.03 0.00 0.00 46.19 45.81 2q3s s LEU 83 CO 0.79 -0.20 0.35 0.00 0.23 0.00 0.00 176.35 177.52 2q3s s LEU 85 N 2.41 2.59 -0.20 0.00 2.96 0.34 -3.07 118.68 123.70 2q3s s LEU 85 Ca -0.01 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.34 2q3s s LEU 85 Cb -0.12 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2q3s s LEU 85 CO -0.11 0.00 0.07 -0.36 -1.32 0.00 0.00 176.35 174.63 2q3s s PHE 86 N 1.30 3.20 -0.24 5.38 0.08 -1.18 -0.56 117.98 125.96 2q3s s PHE 86 Ca 0.04 -0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.03 2q3s s PHE 86 Cb -0.14 -2.12 0.03 0.00 -0.57 0.00 0.00 43.02 40.21 2q3s s PHE 86 CO -0.06 0.01 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.48 2q3s s LEU 87 N 0.72 3.02 -0.38 -0.37 1.43 -0.36 -1.71 118.68 121.02 2q3s s LEU 87 Ca 0.03 -0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 52.13 2q3s s LEU 87 Cb -0.13 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2q3s s LEU 87 CO 0.02 -0.10 0.40 -0.13 0.23 0.00 0.00 176.35 176.76 2q3s s ARG 88 N 1.31 3.32 0.66 1.70 0.52 -0.91 -1.41 118.95 124.14 2q3s s ARG 88 Ca 0.01 -0.60 -0.10 0.00 -0.52 0.00 0.00 55.73 54.52 2q3s s ARG 88 Cb -0.16 -3.89 0.01 0.00 0.52 0.00 0.00 34.95 31.43 2q3s s ARG 88 CO -0.06 -0.69 1.04 -0.51 0.02 0.00 0.00 175.30 175.10 2q3s s LEU 89 N 2.07 3.03 0.22 2.53 1.43 0.12 -1.45 118.68 126.63 2q3s s LEU 89 Ca 0.12 1.06 -0.02 0.00 -1.03 0.00 0.00 54.13 54.26 2q3s s LEU 89 Cb -0.17 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.12 2q3s s LEU 89 CO 0.13 -1.21 0.43 -2.16 0.23 0.00 0.00 176.35 173.76 2q3s s PRO 90 N -5.24 3.55 0.44 1.29 0.04 -1.26 -4.91 135.00 128.91 2q3s s PRO 90 Ca 0.57 -0.25 0.16 0.00 0.04 0.00 0.00 61.00 61.52 2q3s s PRO 90 Cb -0.11 -2.80 1.01 0.00 0.04 0.00 0.00 34.50 32.65 2q3s s PRO 90 CO 0.50 0.36 1.96 -0.22 0.04 0.00 0.00 177.00 179.65 2q3s h LYS 91 N 1.97 0.00 -4.16 4.56 1.63 -1.97 -3.35 116.57 115.25 2q3s h LYS 91 Ca -0.48 0.00 -0.75 0.00 -0.85 0.00 0.00 60.65 58.57 2q3s h LYS 91 Cb 1.19 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 32.56 2q3s h LYS 91 CO 0.68 0.22 -0.28 -1.25 -3.45 0.00 0.00 179.45 175.37 2q3s s PRO 92 N -4.43 2.82 -0.59 1.90 0.04 -1.26 -5.01 135.00 128.46 2q3s s PRO 92 Ca -0.03 -1.74 -0.26 0.00 0.04 0.00 0.00 61.00 59.01 2q3s s PRO 92 Cb 0.15 -4.17 -0.10 0.00 0.04 0.00 0.00 34.50 30.42 2q3s s PRO 92 CO 0.68 -1.28 2.44 1.19 0.04 0.00 0.00 177.00 180.07 2q3s n PHE 93 N 5.12 1.29 -1.74 0.56 3.01 -1.26 -4.90 117.46 119.54 2q3s n PHE 93 Ca -0.12 0.12 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 2q3s n PHE 93 Cb 0.40 -2.58 0.21 0.00 -0.01 0.00 0.00 39.48 37.51 2q3s n PHE 93 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 2q3s s HIS 94 N 12.22 1.11 0.24 1.38 3.76 -1.26 -4.96 115.29 127.78 2q3s s HIS 94 Ca 1.01 0.28 -0.06 0.00 -0.15 0.00 0.00 55.06 56.14 2q3s s HIS 94 Cb -0.27 -4.06 0.32 0.00 1.11 0.00 0.00 32.58 29.68 2q3s s HIS 94 CO 0.26 -3.08 1.84 -0.44 -0.85 0.00 0.00 174.74 172.47 2q3s h ASP 95 N -1.96 0.79 0.00 1.40 5.19 -1.92 -3.22 116.42 116.70 2q3s h ASP 95 Ca -0.44 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 55.93 2q3s h ASP 95 Cb 1.23 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 2q3s h ASP 95 CO 0.32 0.50 -0.01 -0.46 -3.12 0.00 0.00 179.24 176.48 2q3s n ASN 96 N -4.65 3.09 0.00 6.45 6.94 -1.26 -3.44 115.26 122.39 2q3s n ASN 96 Ca 0.12 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.72 2q3s n ASN 96 Cb 0.18 -0.75 0.00 0.00 -2.36 0.00 0.00 39.78 36.85 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 2.26 0.94 0.15 -4.53 4.77 -1.22 -4.65 117.00 114.71 2q3s n LEU 97 Ca 0.14 -0.95 0.04 0.00 -0.03 0.00 0.00 56.01 55.21 2q3s n LEU 97 Cb 0.43 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.99 2q3s n LEU 97 CO 0.10 0.24 0.97 0.11 -1.33 0.00 0.00 177.39 177.47 2q3s h LYS 98 N 0.00 0.19 -0.09 3.23 1.57 -1.86 -1.07 116.57 118.54 2q3s h LYS 98 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2q3s h LYS 98 Cb 0.02 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2q3s h LYS 98 CO 0.00 0.26 0.04 -0.44 -0.57 0.00 0.00 179.45 178.73 2q3s h ASP 99 N 0.19 0.12 0.02 0.86 5.19 -1.90 1.15 116.42 122.04 2q3s h ASP 99 Ca 0.04 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2q3s h ASP 99 Cb 0.22 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.70 2q3s h ASP 99 CO 0.01 0.24 -0.01 0.25 -3.12 0.00 0.00 179.24 176.61 2q3s h LEU 100 N -0.02 -0.02 -0.55 1.55 5.85 -1.78 0.93 115.31 121.27 2q3s h LEU 100 Ca 0.03 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.74 2q3s h LEU 100 Cb 0.16 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2q3s h LEU 100 CO -0.00 0.03 0.30 1.88 -0.34 0.00 0.00 178.44 180.31 2q3s h TYR 101 N -0.08 0.55 0.00 1.25 -1.99 -1.04 0.38 116.97 116.04 2q3s h TYR 101 Ca -0.00 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 2q3s h TYR 101 Cb 0.07 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 2q3s h TYR 101 CO -0.06 0.28 -0.23 0.00 -0.00 0.00 0.00 178.16 178.14 2q3s h ARG 102 N 0.58 0.00 -0.18 4.88 3.08 0.17 -2.48 114.38 120.43 2q3s h ARG 102 Ca 0.24 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 2q3s h ARG 102 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2q3s h ARG 102 CO -0.15 0.23 -0.22 0.35 -1.07 0.00 0.00 179.97 179.12 2q3s h PHE 103 N 0.00 0.56 0.00 3.04 3.57 0.12 -2.89 116.94 121.34 2q3s h PHE 103 Ca -0.00 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.30 2q3s h PHE 103 Cb 0.48 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 2q3s h PHE 103 CO 0.00 0.85 -0.10 0.74 -2.23 0.00 0.00 178.31 177.57 2q3s h PHE 104 N 0.11 0.00 -0.00 0.41 -1.00 -0.89 -2.26 116.94 113.30 2q3s h PHE 104 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2q3s h PHE 104 Cb 0.78 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.34 2q3s h PHE 104 CO 0.09 0.10 -0.35 0.00 -1.61 0.00 0.00 178.31 176.53 2q3s n ALA 105 N -2.22 3.24 -1.74 2.45 0.00 -0.96 -3.35 120.51 117.93 2q3s n ALA 105 Ca -0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 2q3s n ALA 105 Cb 0.25 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 2q3s n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2q3s n SER 106 N -1.23 3.75 -0.80 0.00 2.88 -0.85 -4.39 113.62 112.96 2q3s n SER 106 Ca 0.08 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.89 2q3s n SER 106 Cb 0.33 -1.58 0.30 0.00 -0.75 0.00 0.00 64.21 62.51 2q3s n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2q3s n LYS 107 N 2.11 2.07 -0.05 -1.46 5.02 -1.26 -4.20 118.16 120.38 2q3s n LYS 107 Ca 0.09 -1.60 -0.03 0.00 -2.02 0.00 0.00 58.31 54.75 2q3s n LYS 107 Cb 0.36 -1.46 0.20 0.00 -0.02 0.00 0.00 35.03 34.12 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 3.37 0.69 -3.24 2.13 0.04 -1.96 -3.45 116.94 114.53 2q3s h PHE 108 Ca 0.00 -0.10 -0.41 0.00 2.80 0.00 0.00 57.97 60.26 2q3s h PHE 108 Cb 0.73 -0.19 -0.14 0.00 2.20 0.00 0.00 35.95 38.55 2q3s h PHE 108 CO 0.12 0.70 -0.63 0.14 -0.60 0.00 0.00 178.31 178.04 2q3s s VAL 109 N -4.85 1.01 -0.19 -0.55 -7.23 -1.26 -4.91 120.40 102.41 2q3s s VAL 109 Ca -0.08 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.01 2q3s s VAL 109 Cb 0.15 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 2q3s s VAL 109 CO 0.79 -0.16 0.02 -0.89 -0.31 0.00 0.00 175.10 174.55 2q3s s THR 110 N -3.44 4.18 -0.44 5.32 2.01 -0.42 -4.80 115.64 118.05 2q3s s THR 110 Ca 0.33 -0.24 -0.21 0.00 0.31 0.00 0.00 61.69 61.88 2q3s s THR 110 Cb 0.07 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.72 2q3s s THR 110 CO 0.12 0.44 0.69 -0.36 -0.69 0.00 0.00 174.62 174.82 2q3s s PHE 111 N 0.78 3.04 -0.13 4.92 0.08 0.14 -1.72 117.98 125.09 2q3s s PHE 111 Ca 0.01 -0.00 -0.16 0.00 0.12 0.00 0.00 56.93 56.89 2q3s s PHE 111 Cb -0.14 -3.45 -0.04 0.00 -0.57 0.00 0.00 43.02 38.81 2q3s s PHE 111 CO 0.02 -0.91 0.40 0.08 -0.10 0.00 0.00 175.22 174.71 2q3s s VAL 112 N 2.97 5.23 0.19 -0.44 1.01 -0.69 0.20 120.40 128.87 2q3s s VAL 112 Ca 0.25 0.78 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 2q3s s VAL 112 Cb -0.14 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2q3s s VAL 112 CO 0.20 0.36 0.11 -0.83 0.00 0.00 0.00 175.10 174.93 2q3s s GLY 113 N 0.52 1.36 -0.20 4.51 0.00 1.00 -2.59 107.32 111.92 2q3s s GLY 113 Ca 0.22 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.28 2q3s s GLY 113 CO 0.08 -1.41 -0.16 0.14 0.00 0.00 0.00 173.10 171.74 2q3s s VAL 114 N -4.09 2.32 -1.23 1.40 1.01 -1.26 -1.19 120.40 117.36 2q3s s VAL 114 Ca 0.35 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 2q3s s VAL 114 Cb 0.07 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 2q3s s VAL 114 CO 0.10 0.47 0.70 0.00 0.00 0.00 0.00 175.10 176.36 2q3s n GLN 115 N 4.64 -2.65 -0.18 2.72 1.13 -1.26 -4.92 117.38 116.86 2q3s n GLN 115 Ca -0.20 0.51 0.10 0.00 -1.94 0.00 0.00 57.00 55.47 2q3s n GLN 115 Cb 0.49 -4.59 0.27 0.00 0.11 0.00 0.00 30.24 26.53 2q3s n GLN 115 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2q3s n ILE 116 N -4.19 0.47 0.28 5.09 -5.35 -1.26 -4.66 119.36 109.74 2q3s n ILE 116 Ca -0.19 -0.58 -0.17 0.00 -0.27 0.00 0.00 62.75 61.55 2q3s n ILE 116 Cb 0.64 0.50 -0.09 0.00 -1.74 0.00 0.00 39.64 38.94 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 3.04 -0.90 -0.26 6.28 4.81 -2.00 -0.08 114.58 125.48 2q3s h GLU 117 Ca 0.00 0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 2q3s h GLU 117 Cb 0.68 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2q3s h GLU 117 CO 0.00 -0.60 -0.25 0.93 -0.73 0.00 0.00 179.01 178.37 2q3s h GLU 118 N -0.93 0.50 -0.35 1.92 4.39 -2.00 -2.53 114.58 115.59 2q3s h GLU 118 Ca -0.06 -0.19 0.07 0.00 0.34 0.00 0.00 59.36 59.52 2q3s h GLU 118 Cb 0.80 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.36 2q3s h GLU 118 CO -0.04 0.71 -0.05 -0.44 -1.16 0.00 0.00 179.01 178.03 2q3s h ASP 119 N 0.44 -0.25 -0.08 1.42 3.32 -1.79 0.26 116.42 119.75 2q3s h ASP 119 Ca 0.07 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2q3s h ASP 119 Cb 0.67 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 2q3s h ASP 119 CO 0.05 -0.08 0.03 -0.07 -1.72 0.00 0.00 179.24 177.45 2q3s h LEU 120 N 0.04 0.12 -1.06 1.55 3.38 -0.81 0.34 115.31 118.87 2q3s h LEU 120 Ca 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q3s h LEU 120 Cb 0.25 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2q3s h LEU 120 CO -0.33 0.25 0.54 0.44 0.09 0.00 0.00 178.44 179.43 2q3s h ASP 121 N -0.03 1.04 -0.07 -0.43 3.32 -1.27 -1.35 116.42 117.63 2q3s h ASP 121 Ca 0.03 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2q3s h ASP 121 Cb 0.17 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2q3s h ASP 121 CO -0.00 0.79 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.14 2q3s h LEU 122 N 1.20 0.21 -1.11 1.55 3.38 -0.28 0.10 115.31 120.36 2q3s h LEU 122 Ca 0.31 -0.51 0.10 0.00 0.09 0.00 0.00 57.88 57.88 2q3s h LEU 122 Cb -0.07 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 2q3s h LEU 122 CO -0.06 0.68 0.61 -0.07 0.09 0.00 0.00 178.44 179.69 2q3s h LEU 123 N -0.25 0.88 0.10 1.67 3.38 -0.14 0.26 115.31 121.21 2q3s h LEU 123 Ca 0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2q3s h LEU 123 Cb 0.63 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2q3s h LEU 123 CO 0.02 0.50 -0.05 -0.09 0.09 0.00 0.00 178.44 178.92 2q3s h ARG 124 N 0.96 -0.13 0.00 1.13 2.43 -1.00 -0.80 114.38 116.97 2q3s h ARG 124 Ca 0.45 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.59 2q3s h ARG 124 Cb 0.41 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2q3s h ARG 124 CO -0.21 0.22 -0.18 0.93 -1.51 0.00 0.00 179.97 179.22 2q3s h GLU 125 N -0.98 0.00 0.00 0.20 5.08 -0.76 0.19 114.58 118.31 2q3s h GLU 125 Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2q3s h GLU 125 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2q3s h GLU 125 CO 0.02 0.18 -2.17 0.09 -1.00 0.00 0.00 179.01 176.14 2q3s n ASN 126 N -4.10 0.01 0.00 1.42 5.03 0.91 -4.64 115.26 113.88 2q3s n ASN 126 Ca -0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.43 2q3s n ASN 126 Cb 0.26 1.54 0.00 0.00 -1.02 0.00 0.00 39.78 40.56 2q3s n ASN 126 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2q3s n HIS 127 N -2.48 0.00 -1.43 3.10 8.25 -0.39 -5.00 115.22 117.27 2q3s n HIS 127 Ca -0.17 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.19 2q3s n HIS 127 Cb 0.83 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.91 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 0.46 0.96 3.57 -1.41 0.00 0.66 -4.96 105.19 104.47 2q3s n GLY 128 Ca 0.00 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 2q3s n GLY 128 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2q3s s LEU 129 N -2.36 4.25 -0.15 0.99 0.20 -0.69 -4.92 118.68 116.01 2q3s s LEU 129 Ca 0.00 0.08 -0.03 0.00 0.69 0.00 0.00 54.13 54.87 2q3s s LEU 129 Cb 0.00 -2.50 -0.02 0.00 -0.43 0.00 0.00 46.19 43.24 2q3s s LEU 129 CO 0.00 -0.35 -0.06 -0.69 -0.29 0.00 0.00 176.35 174.97 2q3s s VAL 130 N 2.21 3.71 -0.41 1.68 1.01 -1.26 -2.63 120.40 124.72 2q3s s VAL 130 Ca 0.16 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 2q3s s VAL 130 Cb -0.16 -2.61 0.07 0.00 0.00 0.00 0.00 36.38 33.68 2q3s s VAL 130 CO 0.12 0.50 0.24 -0.63 0.00 0.00 0.00 175.10 175.32 2q3s s ILE 131 N 0.35 4.21 0.27 2.22 1.01 -1.26 -3.61 121.20 124.40 2q3s s ILE 131 Ca -0.06 -1.32 0.04 0.00 0.00 0.00 0.00 60.65 59.31 2q3s s ILE 131 Cb -0.15 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.82 2q3s s ILE 131 CO 0.04 -0.45 1.68 0.03 0.00 0.00 0.00 174.94 176.23 2q3s h ARG 132 N 8.39 0.35 -3.03 2.79 3.08 -1.76 -3.38 114.38 120.83 2q3s h ARG 132 Ca -0.23 -0.17 -0.62 0.00 0.07 0.00 0.00 59.98 59.04 2q3s h ARG 132 Cb 1.08 -0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.72 2q3s h ARG 132 CO 0.73 0.69 -0.68 1.21 -1.07 0.00 0.00 179.97 180.86 2q3s s ASN 133 N -6.86 4.00 0.26 7.04 3.04 -1.26 -5.10 114.94 116.06 2q3s s ASN 133 Ca -0.06 -3.31 0.10 0.00 0.04 0.00 0.00 52.86 49.64 2q3s s ASN 133 Cb 0.13 -1.34 -0.05 0.00 -1.54 0.00 0.00 41.25 38.45 2q3s s ASN 133 CO 0.79 -0.17 -0.17 0.00 -3.04 0.00 0.00 177.10 174.51 2q3s s ALA 134 N -0.62 2.52 -0.06 1.71 0.00 -1.26 0.26 121.76 124.31 2q3s s ALA 134 Ca 0.23 -1.82 -0.12 0.00 0.00 0.00 0.00 51.96 50.24 2q3s s ALA 134 Cb -0.12 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.85 2q3s s ALA 134 CO -0.10 0.19 0.29 -1.50 0.00 0.00 0.00 175.76 174.64 2q3s s ILE 135 N -2.68 0.03 -0.41 0.00 1.10 0.54 -4.85 121.20 114.93 2q3s s ILE 135 Ca 0.28 -0.27 -0.16 0.00 -0.51 0.00 0.00 60.65 59.99 2q3s s ILE 135 Cb -0.03 -0.50 0.02 0.00 0.15 0.00 0.00 42.46 42.10 2q3s s ILE 135 CO 0.12 -0.15 0.33 0.21 -2.11 0.00 0.00 174.94 173.35 2q3s s ASN 136 N -0.62 6.13 0.19 4.50 2.47 -1.25 0.33 114.94 126.69 2q3s s ASN 136 Ca -0.07 -0.87 -0.08 0.00 0.42 0.00 0.00 52.86 52.26 2q3s s ASN 136 Cb -0.04 -2.17 0.10 0.00 -1.45 0.00 0.00 41.25 37.68 2q3s s ASN 136 CO 0.02 -0.49 1.66 1.62 -3.72 0.00 0.00 177.10 176.20 2q3s h VAL 137 N 5.66 1.26 -0.93 -5.21 3.04 -1.53 -2.64 116.25 115.90 2q3s h VAL 137 Ca -0.27 -1.13 0.05 0.00 -1.01 0.00 0.00 66.70 64.34 2q3s h VAL 137 Cb 1.12 0.77 -0.06 0.00 -2.01 0.00 0.00 31.29 31.11 2q3s h VAL 137 CO 0.75 0.41 0.61 1.23 -1.01 0.00 0.00 177.57 179.56 2q3s h GLY 138 N 1.00 1.36 0.81 3.17 0.00 -1.79 1.66 103.07 109.29 2q3s h GLY 138 Ca 0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2q3s h GLY 138 CO 0.03 0.35 0.02 1.70 0.00 0.00 0.00 176.54 178.64 2q3s h LYS 139 N 1.12 0.24 -0.14 4.80 3.64 -1.78 0.29 116.57 124.75 2q3s h LYS 139 Ca 0.39 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.53 2q3s h LYS 139 Cb 0.10 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2q3s h LYS 139 CO -0.13 0.42 -0.63 1.25 -2.27 0.00 0.00 179.45 178.09 2q3s h LEU 140 N 0.03 0.56 -0.63 5.20 5.85 -1.08 -3.01 115.31 122.23 2q3s h LEU 140 Ca 0.04 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 2q3s h LEU 140 Cb 0.30 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2q3s h LEU 140 CO 0.00 1.05 -0.01 0.00 -0.34 0.00 0.00 178.44 179.14 2q3s h ALA 141 N 0.95 0.84 -0.47 1.25 0.00 0.27 0.26 119.26 122.36 2q3s h ALA 141 Ca -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2q3s h ALA 141 Cb 1.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2q3s h ALA 141 CO 0.11 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.31 2q3s h ALA 142 N 1.00 0.60 -0.25 0.00 0.00 -0.42 -1.77 119.26 118.42 2q3s h ALA 142 Ca 0.17 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 2q3s h ALA 142 Cb 0.57 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2q3s h ALA 142 CO 0.03 0.09 -0.62 0.93 0.00 0.00 0.00 179.25 179.69 2q3s h GLU 143 N 0.62 0.85 0.12 0.00 5.08 -1.33 0.12 114.58 120.05 2q3s h GLU 143 Ca 0.17 -0.59 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2q3s h GLU 143 Cb 0.01 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2q3s h GLU 143 CO -0.03 1.22 -0.06 0.00 -1.00 0.00 0.00 179.01 179.14 2q3s h ALA 144 N 0.64 -0.98 -0.34 3.43 0.00 -0.37 -3.30 119.26 118.34 2q3s h ALA 144 Ca -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2q3s h ALA 144 Cb 1.24 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2q3s h ALA 144 CO 0.13 -0.96 0.09 0.00 0.00 0.00 0.00 179.25 178.51 2q3s h ARG 145 N -0.17 0.22 -0.70 0.00 2.47 -1.44 -3.48 114.38 111.29 2q3s h ARG 145 Ca -0.02 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2q3s h ARG 145 Cb 0.12 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 2q3s h ARG 145 CO 0.03 0.14 0.00 0.41 0.56 0.00 0.00 179.97 181.11 2q3s n GLY 146 N -1.22 0.52 2.60 0.04 0.00 0.40 -5.09 105.19 102.45 2q3s n GLY 146 Ca 0.01 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.73 -0.11 0.31 2.61 2.01 -1.02 -5.06 115.64 112.65 2q3s s THR 147 Ca 0.00 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.66 2q3s s THR 147 Cb 0.00 -0.71 0.23 0.00 0.01 0.00 0.00 72.50 72.03 2q3s s THR 147 CO 0.00 -0.41 1.94 -0.07 -0.69 0.00 0.00 174.62 175.39 2q3s h LEU 148 N 8.40 0.80 -2.49 4.42 3.38 -1.96 -2.95 115.31 124.90 2q3s h LEU 148 Ca -0.17 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2q3s h LEU 148 Cb 1.11 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2q3s h LEU 148 CO 0.33 0.64 -0.02 1.62 0.09 0.00 0.00 178.44 181.11 2q3s h VAL 149 N 0.90 0.16 -0.42 1.22 3.04 -1.97 -3.04 116.25 116.15 2q3s h VAL 149 Ca 0.23 -0.17 0.11 0.00 -1.01 0.00 0.00 66.70 65.86 2q3s h VAL 149 Cb 0.03 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 30.43 2q3s h VAL 149 CO -0.04 0.02 0.30 -0.07 -1.01 0.00 0.00 177.57 176.77 2q3s h LEU 150 N 0.00 0.06 -1.16 3.16 3.38 -1.81 0.64 115.31 119.58 2q3s h LEU 150 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q3s h LEU 150 Cb 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2q3s h LEU 150 CO 0.00 0.04 0.00 -0.08 0.09 0.00 0.00 178.44 178.49 2q3s h GLU 151 N 0.07 0.00 -0.25 1.13 4.81 -1.40 -3.21 114.58 115.72 2q3s h GLU 151 Ca 0.20 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2q3s h GLU 151 Cb 0.70 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.02 2q3s h GLU 151 CO -0.01 0.00 -0.09 1.19 -0.73 0.00 0.00 179.01 179.37 2q3s n PHE 152 N -2.61 0.81 -4.15 0.92 3.72 0.21 -4.60 117.46 111.76 2q3s n PHE 152 Ca 0.01 -1.33 -0.31 0.00 -0.05 0.00 0.00 57.45 55.78 2q3s n PHE 152 Cb 0.24 -0.38 -0.08 0.00 -0.94 0.00 0.00 39.48 38.32 2q3s n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2q3s s LEU 153 N -3.09 3.54 0.00 4.37 1.43 -1.21 -5.12 118.68 118.59 2q3s s LEU 153 Ca 0.42 -0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.31 2q3s s LEU 153 Cb 0.37 -2.20 0.14 0.00 0.03 0.00 0.00 46.19 44.52 2q3s s LEU 153 CO 0.02 0.20 0.79 0.61 0.23 0.00 0.00 176.35 178.20 2q3s n GLY 154 N 0.76 -1.40 0.37 -3.19 0.00 -1.26 -4.76 105.19 95.71 2q3s n GLY 154 Ca -0.11 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 44.05 2q3s n GLY 154 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2q3s h THR 155 N -1.49 0.27 0.15 2.61 2.02 -1.99 0.98 112.91 115.45 2q3s h THR 155 Ca -0.26 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 66.73 2q3s h THR 155 Cb 0.71 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2q3s h THR 155 CO 0.18 0.02 -0.18 -0.09 0.37 0.00 0.00 175.52 175.83 2q3s h ARG 156 N -1.04 -0.36 -0.90 6.66 1.12 -1.96 -2.62 114.38 115.29 2q3s h ARG 156 Ca -0.09 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 2q3s h ARG 156 Cb 0.72 0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 30.72 2q3s h ARG 156 CO 0.15 -0.24 0.57 1.49 -3.11 0.00 0.00 179.97 178.83 2q3s h GLU 157 N -0.37 1.20 0.01 0.20 4.57 -1.96 -2.76 114.58 115.47 2q3s h GLU 157 Ca 0.01 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2q3s h GLU 157 Cb 0.36 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2q3s h GLU 157 CO -0.06 0.82 -0.00 1.25 -1.18 0.00 0.00 179.01 179.83 2q3s h LEU 158 N 1.23 -0.01 -1.24 1.64 5.85 -0.56 -2.18 115.31 120.03 2q3s h LEU 158 Ca 0.33 -0.27 0.32 0.00 0.84 0.00 0.00 57.88 59.09 2q3s h LEU 158 Cb -0.10 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 40.81 2q3s h LEU 158 CO -0.07 0.27 0.68 0.00 -0.34 0.00 0.00 178.44 178.98 2q3s h ALA 159 N 0.70 2.23 0.69 1.25 0.00 -1.21 -1.39 119.26 121.53 2q3s h ALA 159 Ca -0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2q3s h ALA 159 Cb 0.28 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2q3s h ALA 159 CO 0.00 -0.75 -0.43 1.25 0.00 0.00 0.00 179.25 179.32 2q3s h HIS 160 N 0.33 -1.15 0.00 0.00 -0.00 -1.13 -1.71 115.15 111.49 2q3s h HIS 160 Ca 0.69 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 61.04 2q3s h HIS 160 Cb 1.76 0.41 -0.00 0.00 -0.00 0.00 0.00 27.41 29.58 2q3s h HIS 160 CO -0.01 -0.64 -0.02 0.00 -0.00 0.00 0.00 177.93 177.27 2q3s h ARG 161 N -1.05 0.00 0.00 5.26 2.47 -1.02 0.31 114.38 120.35 2q3s h ARG 161 Ca -0.09 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.48 2q3s h ARG 161 Cb 0.84 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.14 2q3s h ARG 161 CO 0.09 0.02 -1.18 0.28 0.56 0.00 0.00 179.97 179.74 2q3s n VAL 162 N -3.17 1.49 0.01 2.04 0.31 -0.87 -4.73 118.33 113.41 2q3s n VAL 162 Ca -0.01 0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 64.20 2q3s n VAL 162 Cb 0.21 -2.19 -0.14 0.00 -0.91 0.00 0.00 33.84 30.80 2q3s n VAL 162 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2q3s h LEU 163 N -1.00 0.24 1.59 7.52 3.38 -1.40 -3.49 115.31 122.15 2q3s h LEU 163 Ca -0.23 -0.45 -0.36 0.00 0.09 0.00 0.00 57.88 56.94 2q3s h LEU 163 Cb 1.03 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.61 2q3s h LEU 163 CO -0.14 1.39 -0.39 0.79 0.09 0.00 0.00 178.44 180.19 2q3s n TRP 164 N -3.31 -0.37 -1.48 1.13 7.02 0.10 -5.00 117.44 115.53 2q3s n TRP 164 Ca -0.21 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.05 2q3s n TRP 164 Cb 1.04 -3.25 0.17 0.00 -2.42 0.00 0.00 31.31 26.85 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 -1.10 -0.47 -4.68 -0.99 3.41 -1.26 -5.01 113.62 103.53 2q3s n SER 165 Ca -0.19 -1.26 -0.40 0.00 -0.26 0.00 0.00 58.87 56.75 2q3s n SER 165 Cb 0.62 -0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 63.74 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 -4.43 6.81 -0.12 4.04 3.68 -1.26 -4.91 116.67 120.48 2q3s s ASP 166 Ca 0.56 0.99 0.16 0.00 2.13 0.00 0.00 52.55 56.39 2q3s s ASP 166 Cb -0.03 -2.39 0.32 0.00 -1.45 0.00 0.00 42.92 39.38 2q3s s ASP 166 CO 0.41 -0.27 1.21 0.18 0.13 0.00 0.00 175.17 176.83 2q3s n LEU 167 N 4.81 2.76 -0.31 -1.34 4.77 -1.26 -4.72 117.00 121.71 2q3s n LEU 167 Ca -0.00 -2.89 -0.01 0.00 -0.03 0.00 0.00 56.01 53.08 2q3s n LEU 167 Cb 0.50 -0.40 0.11 0.00 -2.33 0.00 0.00 43.42 41.30 2q3s n LEU 167 CO 0.46 0.68 1.21 1.23 -1.33 0.00 0.00 177.39 179.64 2q3s h GLY 168 N 0.61 1.26 0.00 -0.72 0.00 -1.98 0.24 103.07 102.48 2q3s h GLY 168 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2q3s h GLY 168 CO 0.06 0.35 0.00 -0.18 0.00 0.00 0.00 176.54 176.77 2q3s n GLN 169 N -4.55 0.00 -0.32 4.80 -0.06 -1.26 0.70 117.38 116.68 2q3s n GLN 169 Ca 0.11 0.34 0.20 0.00 -2.00 0.00 0.00 57.00 55.65 2q3s n GLN 169 Cb 0.10 -1.33 0.40 0.00 -4.06 0.00 0.00 30.24 25.35 2q3s n GLN 169 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 2q3s h LEU 170 N 0.00 -0.01 -0.66 1.69 5.85 -1.91 1.31 115.31 121.58 2q3s h LEU 170 Ca 0.00 0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.97 2q3s h LEU 170 Cb 0.00 0.33 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2q3s h LEU 170 CO 0.00 -0.30 0.43 0.44 -0.34 0.00 0.00 178.44 178.67 2q3s h ASP 171 N 0.09 0.74 -0.77 1.25 5.19 -0.21 -1.59 116.42 121.13 2q3s h ASP 171 Ca 0.68 -0.02 0.07 0.00 -0.62 0.00 0.00 57.03 57.14 2q3s h ASP 171 Cb 1.55 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.81 2q3s h ASP 171 CO -0.77 0.53 0.45 -1.28 -3.12 0.00 0.00 179.24 175.04 2q3s h SER 172 N 0.87 0.67 -0.07 6.45 0.87 0.76 -0.90 113.55 122.20 2q3s h SER 172 Ca 0.24 0.03 -0.24 0.00 -1.23 0.00 0.00 61.79 60.59 2q3s h SER 172 Cb -0.08 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 61.79 2q3s h SER 172 CO -0.06 0.41 -0.90 0.40 -0.53 0.00 0.00 176.83 176.15 2q3s h ILE 173 N 0.79 1.28 0.00 2.23 2.04 -0.81 -3.31 117.51 119.73 2q3s h ILE 173 Ca 0.35 -2.10 -0.15 0.00 1.00 0.00 0.00 64.86 63.95 2q3s h ILE 173 Cb 0.24 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 2q3s h ILE 173 CO -0.20 0.66 -0.72 -0.33 0.00 0.00 0.00 178.15 177.56 2q3s h GLU 174 N 0.45 0.00 -1.00 2.37 5.08 -1.20 -3.29 114.58 116.99 2q3s h GLU 174 Ca -0.09 0.00 0.37 0.00 -1.00 0.00 0.00 59.36 58.63 2q3s h GLU 174 Cb 1.55 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.63 2q3s h GLU 174 CO 0.18 0.72 0.52 0.00 -1.00 0.00 0.00 179.01 179.44 2q3s h ALA 175 N 1.28 2.01 -2.10 3.43 0.00 -1.25 -1.63 119.26 121.00 2q3s h ALA 175 Ca -0.01 0.24 -0.56 0.00 0.00 0.00 0.00 54.91 54.58 2q3s h ALA 175 Cb 1.34 0.26 -0.42 0.00 0.00 0.00 0.00 17.79 18.98 2q3s h ALA 175 CO 0.09 -0.76 -0.79 0.36 0.00 0.00 0.00 179.25 178.15 2q3s n LYS 176 N -5.18 2.71 -0.23 0.00 2.85 -1.24 -4.99 118.16 112.07 2q3s n LYS 176 Ca 0.34 -4.46 -0.02 0.00 -1.05 0.00 0.00 58.31 53.12 2q3s n LYS 176 Cb 1.12 -2.09 0.04 0.00 -0.65 0.00 0.00 35.03 33.45 2q3s n LYS 176 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 177.40 179.70 2q3s h TRP 177 N 2.94 -0.73 0.00 5.58 2.91 -1.43 -2.04 115.95 123.18 2q3s h TRP 177 Ca 0.13 0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.23 2q3s h TRP 177 Cb 0.67 0.42 0.00 0.00 -0.51 0.00 0.00 29.16 29.74 2q3s h TRP 177 CO 0.74 -0.36 0.00 1.05 -1.03 0.00 0.00 178.44 178.85 2q3s h GLU 178 N -0.09 0.00 -0.15 2.65 9.09 -1.93 -1.94 114.58 122.22 2q3s h GLU 178 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.70 2q3s h GLU 178 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 2q3s h GLU 178 CO -0.73 0.00 0.00 1.63 0.05 0.00 0.00 179.01 179.96 2q3s n LYS 179 N -2.82 2.09 -2.95 1.06 5.02 -0.79 -4.85 118.16 114.91 2q3s n LYS 179 Ca 0.01 -1.61 -0.41 0.00 -2.02 0.00 0.00 58.31 54.28 2q3s n LYS 179 Cb 0.29 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.83 3.58 1.05 7.82 0.00 -0.73 -5.05 121.76 126.60 2q3s s ALA 180 Ca 0.34 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 2q3s s ALA 180 Cb 0.20 -3.19 0.22 0.00 0.00 0.00 0.00 23.12 20.35 2q3s s ALA 180 CO 0.30 -0.76 1.08 0.20 0.00 0.00 0.00 175.76 176.59 2q3s s GLY 181 N 1.27 1.56 0.64 0.00 0.00 -1.26 -4.72 107.32 104.80 2q3s s GLY 181 Ca 0.34 -0.41 0.35 0.00 0.00 0.00 0.00 44.72 45.00 2q3s s GLY 181 CO 0.10 0.25 2.14 -0.56 0.00 0.00 0.00 173.10 175.03 2q3s h PRO 182 N -2.09 0.00 0.28 2.90 0.13 -1.98 -2.64 132.00 128.60 2q3s h PRO 182 Ca -0.55 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 2q3s h PRO 182 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2q3s h PRO 182 CO 0.55 0.00 -0.13 1.49 -0.23 0.00 0.00 178.00 179.68 2q3s h GLU 183 N 0.00 -0.36 -0.00 0.86 4.57 -1.99 -1.80 114.58 115.86 2q3s h GLU 183 Ca 0.03 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.10 2q3s h GLU 183 Cb 0.38 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 2q3s h GLU 183 CO -0.00 -0.03 -0.62 0.93 -1.18 0.00 0.00 179.01 178.11 2q3s h GLU 184 N -0.75 0.02 -0.02 1.92 5.08 -1.86 -1.41 114.58 117.56 2q3s h GLU 184 Ca -0.04 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2q3s h GLU 184 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2q3s h GLU 184 CO 0.06 0.63 -0.53 1.96 -1.00 0.00 0.00 179.01 180.13 2q3s h GLN 185 N 0.01 0.07 -0.20 2.33 4.20 -1.55 0.16 115.11 120.13 2q3s h GLN 185 Ca -0.01 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.50 2q3s h GLN 185 Cb 1.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 2q3s h GLN 185 CO 0.08 0.58 -0.54 1.25 -0.67 0.00 0.00 178.83 179.52 2q3s h LEU 186 N 0.05 0.67 -0.40 1.46 6.46 -0.89 -2.38 115.31 120.28 2q3s h LEU 186 Ca -0.00 -0.36 -0.12 0.00 -0.12 0.00 0.00 57.88 57.28 2q3s h LEU 186 Cb 0.95 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 2q3s h LEU 186 CO 0.07 1.08 -0.20 -0.08 -0.62 0.00 0.00 178.44 178.69 2q3s h GLU 187 N 0.47 0.84 -0.94 1.25 4.81 -0.61 -2.38 114.58 118.02 2q3s h GLU 187 Ca 0.01 -0.37 0.03 0.00 -0.13 0.00 0.00 59.36 58.90 2q3s h GLU 187 Cb 1.10 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 2q3s h GLU 187 CO 0.11 1.01 0.62 0.00 -0.73 0.00 0.00 179.01 180.01 2q3s h ALA 188 N 0.81 1.23 0.13 2.92 0.00 -0.60 -0.22 119.26 123.53 2q3s h ALA 188 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2q3s h ALA 188 Cb 0.76 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2q3s h ALA 188 CO 0.06 0.52 -0.06 0.00 0.00 0.00 0.00 179.25 179.77 2q3s h ALA 189 N 1.37 -0.17 -0.80 0.00 0.00 -1.30 -1.40 119.26 116.96 2q3s h ALA 189 Ca 0.37 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2q3s h ALA 189 Cb -0.04 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2q3s h ALA 189 CO -0.11 -0.49 0.53 0.00 0.00 0.00 0.00 179.25 179.18 2q3s h ALA 190 N 0.44 1.46 -0.22 0.00 0.00 -1.14 -1.77 119.26 118.02 2q3s h ALA 190 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2q3s h ALA 190 Cb 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2q3s h ALA 190 CO 0.03 0.49 0.11 0.82 0.00 0.00 0.00 179.25 180.70 2q3s h ILE 191 N 1.05 1.13 -0.45 0.00 2.04 -0.95 -2.72 117.51 117.61 2q3s h ILE 191 Ca 0.30 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2q3s h ILE 191 Cb -0.07 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2q3s h ILE 191 CO -0.07 0.13 0.18 -0.33 0.00 0.00 0.00 178.15 178.05 2q3s h GLU 192 N 0.23 0.64 -0.78 2.37 5.08 -0.56 -1.96 114.58 119.60 2q3s h GLU 192 Ca 0.08 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2q3s h GLU 192 Cb 0.10 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2q3s h GLU 192 CO -0.01 0.53 0.34 0.78 -1.00 0.00 0.00 179.01 179.65 2q3s h GLY 193 N 0.79 1.23 0.97 -3.84 0.00 -1.13 -1.84 103.07 99.24 2q3s h GLY 193 Ca 0.16 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 2q3s h GLY 193 CO -0.02 0.60 -0.08 -0.25 0.00 0.00 0.00 176.54 176.80 2q3s h TRP 194 N 1.13 0.83 -0.97 5.60 7.01 -1.14 0.04 115.95 128.45 2q3s h TRP 194 Ca 0.27 -0.17 0.04 0.00 2.11 0.00 0.00 58.89 61.14 2q3s h TRP 194 Cb 0.17 -0.21 -0.06 0.00 -2.10 0.00 0.00 29.16 26.96 2q3s h TRP 194 CO 0.02 0.87 0.63 -0.07 -2.79 0.00 0.00 178.44 177.10 2q3s h LEU 195 N 0.56 1.03 -0.16 0.65 3.38 -1.12 -0.26 115.31 119.40 2q3s h LEU 195 Ca 0.10 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 2q3s h LEU 195 Cb 0.59 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2q3s h LEU 195 CO 0.04 0.70 -0.95 0.40 0.09 0.00 0.00 178.44 178.72 2q3s h ILE 196 N 1.19 1.61 -0.35 1.22 1.08 -1.10 0.16 117.51 121.33 2q3s h ILE 196 Ca 0.39 -3.04 0.01 0.00 -0.39 0.00 0.00 64.86 61.83 2q3s h ILE 196 Cb 0.05 2.68 -0.02 0.00 -3.07 0.00 0.00 36.82 36.46 2q3s h ILE 196 CO -0.13 0.87 0.22 0.58 -0.69 0.00 0.00 178.15 179.00 2q3s h VAL 197 N 0.03 1.07 -0.50 1.67 2.07 -0.55 0.49 116.25 120.54 2q3s h VAL 197 Ca -0.03 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2q3s h VAL 197 Cb 1.64 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2q3s h VAL 197 CO 0.13 0.08 0.15 0.78 0.02 0.00 0.00 177.57 178.74 2q3s h ASN 198 N 0.46 0.73 -0.13 0.57 2.35 -0.94 0.90 115.58 119.51 2q3s h ASN 198 Ca 0.13 -0.21 0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2q3s h ASN 198 Cb -0.04 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 2q3s h ASN 198 CO -0.04 0.75 -0.01 0.58 -1.65 0.00 0.00 177.43 177.07 2q3s h VAL 199 N 0.68 0.90 -0.28 2.81 2.07 -0.32 -2.18 116.25 119.93 2q3s h VAL 199 Ca 0.16 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 2q3s h VAL 199 Cb 0.28 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2q3s h VAL 199 CO -0.00 0.01 0.06 -0.25 0.02 0.00 0.00 177.57 177.40 2q3s h TRP 200 N 0.04 0.48 -0.60 1.57 2.91 0.44 -2.47 115.95 118.33 2q3s h TRP 200 Ca 0.06 -0.06 0.12 0.00 1.13 0.00 0.00 58.89 60.14 2q3s h TRP 200 Cb 0.08 -0.13 -0.11 0.00 -0.51 0.00 0.00 29.16 28.48 2q3s h TRP 200 CO -0.15 0.54 -0.06 -0.44 -1.03 0.00 0.00 178.44 177.30 2q3s h ASP 201 N 0.29 -0.38 0.00 2.65 3.32 0.96 0.53 116.42 123.78 2q3s h ASP 201 Ca 0.09 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2q3s h ASP 201 Cb 0.30 0.31 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2q3s h ASP 201 CO 0.00 -0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.37 2q3s n GLN 202 N -5.33 0.00 -0.15 3.56 6.02 -0.83 -3.12 117.38 117.52 2q3s n GLN 202 Ca 0.08 0.02 0.15 0.00 -0.01 0.00 0.00 57.00 57.24 2q3s n GLN 202 Cb 0.33 -0.63 0.28 0.00 1.02 0.00 0.00 30.24 31.24 2q3s n GLN 202 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2q3s n LEU 203 N -0.16 0.16 -0.34 1.08 4.77 -0.95 0.51 117.00 122.07 2q3s n LEU 203 Ca 0.00 0.78 -0.01 0.00 -0.03 0.00 0.00 56.01 56.75 2q3s n LEU 203 Cb 0.00 -0.38 0.12 0.00 -2.33 0.00 0.00 43.42 40.83 2q3s n LEU 203 CO 0.00 -0.87 1.25 -1.28 -1.33 0.00 0.00 177.39 175.16 2q3s h SER 204 N 0.00 1.01 0.00 -1.43 0.87 -0.82 -3.34 113.55 109.83 2q3s h SER 204 Ca 0.40 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2q3s h SER 204 Cb 1.05 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2q3s h SER 204 CO -0.36 0.69 -0.04 -0.90 -0.53 0.00 0.00 176.83 175.69 2q3s n ASP 205 N -4.49 0.92 0.00 6.23 5.68 0.18 -5.12 116.55 119.96 2q3s n ASP 205 Ca 0.12 -1.61 0.08 0.00 -0.50 0.00 0.00 54.79 52.87 2q3s n ASP 205 Cb 0.09 -0.05 0.45 0.00 -1.14 0.00 0.00 41.12 40.47 2q3s n ASP 205 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03