#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 1.03 -3.17 7.33 0.00 -1.26 -4.98 120.51 119.47 2q3s n ALA 2 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.75 2q3s n ALA 2 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.13 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 0.40 -0.35 -1.22 0.00 1.04 -1.26 -5.05 113.70 107.25 2q3s s SER 3 Ca 0.71 -0.13 -0.19 0.00 0.48 0.00 0.00 55.95 56.82 2q3s s SER 3 Cb -0.67 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.02 2q3s s SER 3 CO 0.48 -0.84 1.64 -0.36 0.98 0.00 0.00 173.24 175.13 2q3s s PHE 4 N -3.43 2.75 -1.47 5.02 0.40 -1.26 -4.66 117.98 115.33 2q3s s PHE 4 Ca 0.00 -1.44 0.15 0.00 -0.60 0.00 0.00 56.93 55.04 2q3s s PHE 4 Cb 0.01 -4.72 0.33 0.00 0.51 0.00 0.00 43.02 39.15 2q3s s PHE 4 CO -0.10 -1.82 1.24 -0.40 0.70 0.00 0.00 175.22 174.84 2q3s n ASP 5 N 8.37 2.97 -2.59 1.36 5.68 -1.22 -4.44 116.55 126.68 2q3s n ASP 5 Ca 0.44 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.84 2q3s n ASP 5 Cb 0.47 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 0.88 -1.65 3.69 6.12 0.00 0.71 -4.93 105.19 110.01 2q3s n GLY 6 Ca 0.14 -1.55 -0.42 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 -0.82 2.03 -4.53 1.61 -0.04 -1.26 -4.21 135.00 127.78 2q3s n PRO 7 Ca 0.00 0.71 -0.34 0.00 -0.04 0.00 0.00 63.50 63.84 2q3s n PRO 7 Cb 0.00 -2.29 -0.12 0.00 -0.04 0.00 0.00 33.50 31.05 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 -1.90 3.19 0.10 0.54 -2.85 -1.26 -1.67 119.74 115.89 2q3s s LYS 8 Ca 0.56 -0.54 0.06 0.00 -1.00 0.00 0.00 55.97 55.06 2q3s s LYS 8 Cb -0.57 -2.74 -0.04 0.00 -2.06 0.00 0.00 37.83 32.42 2q3s s LYS 8 CO 0.61 0.46 -0.08 -0.06 0.10 0.00 0.00 175.35 176.39 2q3s s PHE 9 N -0.24 2.80 0.56 1.78 0.08 0.28 -4.89 117.98 118.35 2q3s s PHE 9 Ca 0.04 -0.12 0.07 0.00 0.12 0.00 0.00 56.93 57.03 2q3s s PHE 9 Cb -0.13 -1.46 0.07 0.00 -0.57 0.00 0.00 43.02 40.93 2q3s s PHE 9 CO 0.02 0.43 0.78 0.21 -0.10 0.00 0.00 175.22 176.57 2q3s s LYS 10 N -2.19 2.33 0.08 0.44 2.20 -1.26 0.12 119.74 121.46 2q3s s LYS 10 Ca 0.22 -1.42 0.23 0.00 -0.36 0.00 0.00 55.97 54.65 2q3s s LYS 10 Cb -0.11 -2.61 0.17 0.00 -1.51 0.00 0.00 37.83 33.77 2q3s s LYS 10 CO 0.14 -0.82 1.15 0.25 -0.36 0.00 0.00 175.35 175.71 2q3s n THR 12 N -2.26 0.24 -0.05 3.43 -2.24 -1.26 -4.93 114.28 107.21 2q3s n THR 12 Ca 0.13 -0.26 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 2q3s n THR 12 Cb 0.61 0.07 0.29 0.00 -2.10 0.00 0.00 70.33 69.19 2q3s n THR 12 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2q3s n ASP 13 N -2.02 3.57 0.00 3.42 5.75 -1.26 -4.93 116.55 121.07 2q3s n ASP 13 Ca 0.02 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 2q3s n ASP 13 Cb 0.44 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 1.56 2.44 3.73 6.12 0.00 -1.26 -5.05 105.19 112.73 2q3s n GLY 14 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.76 3.64 -0.11 1.61 1.04 -1.26 -4.99 113.70 111.87 2q3s s SER 15 Ca 0.00 1.42 0.04 0.00 0.48 0.00 0.00 55.95 57.89 2q3s s SER 15 Cb 0.00 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 64.01 2q3s s SER 15 CO 0.00 -2.53 -0.24 -0.31 0.98 0.00 0.00 173.24 171.15 2q3s s TYR 16 N -2.99 2.57 -0.32 5.02 1.51 -1.26 -4.29 117.35 117.59 2q3s s TYR 16 Ca 0.63 -1.08 -0.09 0.00 -1.01 0.00 0.00 57.07 55.52 2q3s s TYR 16 Cb -0.17 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 2q3s s TYR 16 CO 0.56 -0.44 0.14 0.08 -1.11 0.00 0.00 175.55 174.78 2q3s s VAL 17 N 0.40 4.35 0.67 0.71 1.01 0.33 -4.83 120.40 123.05 2q3s s VAL 17 Ca -0.17 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 2q3s s VAL 17 Cb -0.18 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 32.94 2q3s s VAL 17 CO 0.08 -0.02 1.00 -1.10 0.00 0.00 0.00 175.10 175.06 2q3s s GLN 18 N 1.55 2.58 0.14 2.72 -0.21 -1.00 0.10 119.66 125.54 2q3s s GLN 18 Ca 0.03 0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.42 2q3s s GLN 18 Cb -0.18 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.63 2q3s s GLN 18 CO 0.05 -1.03 0.02 0.95 -2.12 0.00 0.00 175.29 173.17 2q3s s THR 19 N -3.20 0.35 -0.15 -0.19 -4.23 -0.67 -1.28 115.64 106.28 2q3s s THR 19 Ca 0.58 -1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 59.08 2q3s s THR 19 Cb -0.11 -2.02 0.06 0.00 1.34 0.00 0.00 72.50 71.77 2q3s s THR 19 CO 0.47 -0.52 0.34 -0.75 -0.54 0.00 0.00 174.62 173.61 2q3s s LYS 20 N -3.98 0.30 -0.32 3.99 2.47 -0.21 -0.21 119.74 121.78 2q3s s LYS 20 Ca 0.22 0.72 -0.08 0.00 -1.56 0.00 0.00 55.97 55.27 2q3s s LYS 20 Cb 0.07 -0.03 0.02 0.00 -1.46 0.00 0.00 37.83 36.42 2q3s s LYS 20 CO 0.01 -0.18 0.12 0.99 0.16 0.00 0.00 175.35 176.46 2q3s s THR 21 N 1.54 4.18 -0.40 3.43 2.01 -1.26 -0.40 115.64 124.74 2q3s s THR 21 Ca -0.08 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.05 2q3s s THR 21 Cb -0.10 -3.23 0.04 0.00 0.01 0.00 0.00 72.50 69.23 2q3s s THR 21 CO -0.11 -0.04 0.25 -0.63 -0.69 0.00 0.00 174.62 173.40 2q3s s ILE 22 N 1.52 4.68 -0.46 1.82 1.09 0.12 -4.99 121.20 124.98 2q3s s ILE 22 Ca 0.02 -0.95 -0.29 0.00 -1.10 0.00 0.00 60.65 58.33 2q3s s ILE 22 Cb -0.18 -3.68 0.03 0.00 -1.06 0.00 0.00 42.46 37.57 2q3s s ILE 22 CO 0.04 -0.33 1.11 -0.62 -0.10 0.00 0.00 174.94 175.03 2q3s s ASP 23 N 1.78 6.64 -0.28 3.58 -1.08 -1.26 -0.73 116.67 125.32 2q3s s ASP 23 Ca 0.03 0.47 -0.17 0.00 -0.52 0.00 0.00 52.55 52.36 2q3s s ASP 23 Cb -0.20 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.69 2q3s s ASP 23 CO 0.06 -1.20 0.46 -0.69 0.52 0.00 0.00 175.17 174.32 2q3s s VAL 24 N 4.31 5.10 0.00 1.11 1.01 0.39 -4.93 120.40 127.40 2q3s s VAL 24 Ca 0.46 0.66 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2q3s s VAL 24 Cb -0.08 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2q3s s VAL 24 CO 0.30 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2q3s n GLY 25 N 4.58 1.74 0.09 4.51 0.00 -1.26 -2.58 105.19 112.26 2q3s n GLY 25 Ca -0.06 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 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 0.16 0.00 1.61 4.64 -1.96 -3.42 113.55 114.58 2q3s h SER 26 Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2q3s h SER 26 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2q3s h SER 26 CO 0.00 1.20 0.00 -1.54 -0.87 0.00 0.00 176.83 175.62 2q3s n SER 27 N -3.28 0.77 -4.52 4.97 3.41 -1.26 -4.67 113.62 109.03 2q3s n SER 27 Ca -0.13 -0.97 -0.55 0.00 -0.26 0.00 0.00 58.87 56.95 2q3s n SER 27 Cb 1.02 0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.95 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 -0.04 0.23 -3.16 6.66 -1.04 -1.26 -4.91 114.28 110.75 2q3s n THR 28 Ca 0.00 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.05 61.56 2q3s n THR 28 Cb 0.04 -0.28 -0.06 0.00 -1.82 0.00 0.00 70.33 68.21 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 0.04 7.05 0.00 8.00 3.68 -1.26 -4.84 116.67 129.34 2q3s s ASP 29 Ca 0.86 1.25 0.00 0.00 2.13 0.00 0.00 52.55 56.78 2q3s s ASP 29 Cb -1.13 -2.39 0.00 0.00 -1.45 0.00 0.00 42.92 37.96 2q3s s ASP 29 CO 0.54 0.11 0.19 2.30 0.13 0.00 0.00 175.17 178.44 2q3s n ILE 30 N 2.58 0.00 0.10 4.11 -5.35 -1.26 -4.79 119.36 114.75 2q3s n ILE 30 Ca -0.06 -0.27 0.11 0.00 -0.27 0.00 0.00 62.75 62.25 2q3s n ILE 30 Cb 0.51 1.33 0.59 0.00 -1.74 0.00 0.00 39.64 40.33 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 0.14 0.23 7.28 4.64 -1.92 -1.82 113.55 122.09 2q3s h SER 31 Ca 0.00 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2q3s h SER 31 Cb 0.16 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2q3s h SER 31 CO 0.00 0.09 -0.10 -0.65 -0.87 0.00 0.00 176.83 175.30 2q3s h PRO 32 N 0.16 0.00 0.01 4.77 0.11 -1.99 0.24 132.00 135.29 2q3s h PRO 32 Ca 0.13 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.12 2q3s h PRO 32 Cb 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2q3s h PRO 32 CO -0.02 0.10 -0.63 1.88 -0.21 0.00 0.00 178.00 179.13 2q3s h TYR 33 N 0.00 0.04 -1.00 0.65 0.05 -1.71 -3.09 116.97 111.91 2q3s h TYR 33 Ca -0.00 -0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.82 2q3s h TYR 33 Cb 0.24 -0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.91 2q3s h TYR 33 CO 0.00 1.25 0.64 -0.07 -1.05 0.00 0.00 178.16 178.93 2q3s h LEU 34 N -0.94 1.02 -0.62 3.88 3.38 -1.42 -1.78 115.31 118.83 2q3s h LEU 34 Ca -0.17 0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.92 2q3s h LEU 34 Cb 1.19 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 2q3s h LEU 34 CO -0.08 0.65 0.17 0.28 0.09 0.00 0.00 178.44 179.55 2q3s h SER 35 N 1.15 0.10 -0.10 -0.43 0.02 -0.61 -0.12 113.55 113.55 2q3s h SER 35 Ca 0.43 0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 61.34 2q3s h SER 35 Cb 0.19 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2q3s h SER 35 CO -0.18 0.05 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.08 2q3s h LEU 36 N 0.32 0.68 -0.06 5.07 3.38 -1.33 -3.06 115.31 120.31 2q3s h LEU 36 Ca 0.32 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2q3s h LEU 36 Cb 0.46 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2q3s h LEU 36 CO -0.37 1.02 -0.34 0.40 0.09 0.00 0.00 178.44 179.24 2q3s h ILE 37 N 0.52 0.00 -0.63 1.22 1.08 -0.19 0.47 117.51 119.97 2q3s h ILE 37 Ca 0.04 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.69 2q3s h ILE 37 Cb 0.95 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 2q3s h ILE 37 CO 0.09 0.00 0.46 -0.09 -0.69 0.00 0.00 178.15 177.91 2q3s h ARG 38 N -0.38 0.00 0.36 2.37 2.43 -1.49 -0.48 114.38 117.19 2q3s h ARG 38 Ca 0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2q3s h ARG 38 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2q3s h ARG 38 CO -0.26 0.00 -0.17 1.49 -1.51 0.00 0.00 179.97 179.52 2q3s h GLU 39 N 0.00 -0.47 0.00 0.20 4.81 -1.04 -0.95 114.58 117.13 2q3s h GLU 39 Ca 0.30 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.52 2q3s h GLU 39 Cb 1.22 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 2q3s h GLU 39 CO -0.00 -0.15 -0.20 0.22 -0.73 0.00 0.00 179.01 178.15 2q3s h ASP 40 N -0.94 0.00 0.12 1.04 1.82 -0.45 -1.01 116.42 117.00 2q3s h ASP 40 Ca -0.05 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 2q3s h ASP 40 Cb 0.53 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.54 2q3s h ASP 40 CO 0.08 0.20 -0.06 -1.28 -1.61 0.00 0.00 179.24 176.57 2q3s h SER 41 N 0.00 -0.14 -0.39 2.28 0.87 -1.12 -1.96 113.55 113.09 2q3s h SER 41 Ca -0.00 -0.42 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2q3s h SER 41 Cb 0.39 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2q3s h SER 41 CO 0.03 0.42 0.24 0.40 -0.53 0.00 0.00 176.83 177.38 2q3s h ILE 42 N -0.78 1.12 0.00 2.23 2.04 -0.88 0.26 117.51 121.50 2q3s h ILE 42 Ca -0.02 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2q3s h ILE 42 Cb 0.55 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2q3s h ILE 42 CO 0.03 0.13 -0.09 -0.07 0.00 0.00 0.00 178.15 178.14 2q3s h LEU 43 N 0.55 0.00 0.00 1.44 3.38 -1.28 -3.42 115.31 115.98 2q3s h LEU 43 Ca 0.15 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2q3s h LEU 43 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2q3s h LEU 43 CO -0.03 0.98 -0.58 0.59 0.09 0.00 0.00 178.44 179.49 2q3s n ASN 44 N -4.62 2.92 -0.93 -0.43 3.02 -1.04 -4.79 115.26 109.40 2q3s n ASN 44 Ca -0.10 -0.15 0.05 0.00 -0.03 0.00 0.00 54.58 54.35 2q3s n ASN 44 Cb 0.44 0.89 0.19 0.00 -0.61 0.00 0.00 39.78 40.69 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 1.76 1.42 2.40 7.41 0.00 0.79 -4.88 105.19 114.10 2q3s n GLY 45 Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 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 0.51 -4.45 -1.41 1.61 5.03 -0.98 -2.39 115.26 113.18 2q3s n ASN 46 Ca 0.14 0.15 -0.16 0.00 0.87 0.00 0.00 54.58 55.58 2q3s n ASN 46 Cb 0.50 -3.78 -0.05 0.00 -1.02 0.00 0.00 39.78 35.44 2q3s n ASN 46 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2q3s n ARG 47 N -2.79 -1.15 -4.00 3.52 1.74 -0.40 -4.92 116.66 108.66 2q3s n ARG 47 Ca -0.17 0.96 -0.34 0.00 -0.77 0.00 0.00 57.85 57.52 2q3s n ARG 47 Cb 0.62 -5.20 -0.06 0.00 -1.02 0.00 0.00 32.46 26.80 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 -2.65 3.77 -0.22 7.54 0.00 -1.01 -0.12 121.76 129.06 2q3s s ALA 48 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 2q3s s ALA 48 Cb 0.00 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.37 2q3s s ALA 48 CO 0.00 0.69 -0.09 0.08 0.00 0.00 0.00 175.76 176.44 2q3s s VAL 49 N -1.19 2.78 0.37 0.00 1.01 0.20 -4.77 120.40 118.80 2q3s s VAL 49 Ca 0.22 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 2q3s s VAL 49 Cb -0.12 -2.32 -0.10 0.00 0.00 0.00 0.00 36.38 33.84 2q3s s VAL 49 CO 0.13 0.34 0.88 -0.63 0.00 0.00 0.00 175.10 175.82 2q3s s ILE 50 N 1.35 4.45 0.16 2.22 1.09 -1.26 -2.23 121.20 126.98 2q3s s ILE 50 Ca 0.03 1.38 -0.24 0.00 -1.10 0.00 0.00 60.65 60.72 2q3s s ILE 50 Cb -0.15 -3.67 0.06 0.00 -1.06 0.00 0.00 42.46 37.64 2q3s s ILE 50 CO -0.06 -0.19 0.75 0.72 -0.10 0.00 0.00 174.94 176.06 2q3s s PHE 51 N -2.01 -0.33 0.17 3.97 -0.12 -1.10 0.04 117.98 118.60 2q3s s PHE 51 Ca 0.57 0.05 -0.06 0.00 -0.05 0.00 0.00 56.93 57.44 2q3s s PHE 51 Cb -0.11 0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 2q3s s PHE 51 CO 0.16 -0.89 0.22 0.34 -0.05 0.00 0.00 175.22 175.00 2q3s s ASP 52 N -2.78 0.11 -0.01 1.98 -1.08 0.14 -4.56 116.67 110.48 2q3s s ASP 52 Ca 0.07 -1.06 0.02 0.00 -0.52 0.00 0.00 52.55 51.06 2q3s s ASP 52 Cb -0.02 0.41 -0.00 0.00 -1.46 0.00 0.00 42.92 41.84 2q3s s ASP 52 CO -0.04 -0.87 -0.06 0.68 0.52 0.00 0.00 175.17 175.40 2q3s s VAL 53 N -4.03 0.46 -0.06 1.11 -7.23 -1.26 -1.04 120.40 108.34 2q3s s VAL 53 Ca 0.23 -0.24 0.02 0.00 -1.81 0.00 0.00 61.98 60.19 2q3s s VAL 53 Cb 0.05 -0.40 0.01 0.00 0.56 0.00 0.00 36.38 36.60 2q3s s VAL 53 CO 0.04 0.13 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.53 2q3s s TYR 54 N -0.08 1.47 0.23 2.82 1.51 -0.64 -5.01 117.35 117.65 2q3s s TYR 54 Ca 0.01 -0.54 0.08 0.00 -1.01 0.00 0.00 57.07 55.61 2q3s s TYR 54 Cb -0.03 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 2q3s s TYR 54 CO -0.00 -0.27 0.09 -1.58 -1.11 0.00 0.00 175.55 172.68 2q3s s TRP 55 N 0.63 2.94 -0.21 2.71 0.52 -1.26 -1.48 118.94 122.79 2q3s s TRP 55 Ca -0.14 -0.14 -0.12 0.00 0.02 0.00 0.00 56.10 55.72 2q3s s TRP 55 Cb -0.16 -1.35 -0.05 0.00 -1.15 0.00 0.00 33.47 30.77 2q3s s TRP 55 CO 0.04 0.55 0.21 -0.51 0.02 0.00 0.00 176.95 177.26 2q3s s ASP 56 N -3.52 6.26 0.24 2.95 1.11 -1.10 -4.81 116.67 117.80 2q3s s ASP 56 Ca 0.31 0.29 -0.31 0.00 0.18 0.00 0.00 52.55 53.01 2q3s s ASP 56 Cb -0.08 -2.13 -0.12 0.00 1.07 0.00 0.00 42.92 41.66 2q3s s ASP 56 CO 0.22 0.09 1.64 0.52 1.18 0.00 0.00 175.17 178.82 2q3s n VAL 57 N 3.91 0.49 -2.95 -1.27 0.31 -1.26 -3.52 118.33 114.04 2q3s n VAL 57 Ca -0.14 -0.12 -0.36 0.00 -0.01 0.00 0.00 64.34 63.71 2q3s n VAL 57 Cb 0.52 -1.92 -0.06 0.00 -0.91 0.00 0.00 33.84 31.46 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 0.81 2.67 -0.45 2.92 0.00 -1.25 -4.68 107.32 107.34 2q3s s GLY 58 Ca 0.70 0.32 0.04 0.00 0.00 0.00 0.00 44.72 45.78 2q3s s GLY 58 CO 0.41 0.71 0.97 0.33 0.00 0.00 0.00 173.10 175.52 2q3s n PHE 59 N 0.54 -2.65 -0.94 1.90 -0.00 -1.26 -4.89 117.46 110.15 2q3s n PHE 59 Ca 0.00 -1.48 0.00 0.00 -0.00 0.00 0.00 57.45 55.98 2q3s n PHE 59 Cb 0.51 1.45 0.00 0.00 -0.00 0.00 0.00 39.48 41.44 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 1.65 0.00 -3.42 -2.13 5.66 -1.26 -4.93 114.28 109.84 2q3s n THR 66 Ca 0.07 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.80 2q3s n THR 66 Cb 0.65 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.32 2q3s n THR 66 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2q3s s LYS 67 N -0.76 0.67 0.00 1.09 3.01 -1.26 -4.76 119.74 117.73 2q3s s LYS 67 Ca 0.00 -1.53 0.00 0.00 -1.01 0.00 0.00 55.97 53.43 2q3s s LYS 67 Cb 0.00 -1.27 0.00 0.00 -1.01 0.00 0.00 37.83 35.55 2q3s s LYS 67 CO 0.00 -1.27 0.00 0.25 0.51 0.00 0.00 175.35 174.84 2q3s n THR 68 N 3.68 0.00 0.24 2.17 -2.24 -1.26 -4.94 114.28 111.92 2q3s n THR 68 Ca 0.18 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.09 2q3s n THR 68 Cb 0.41 0.00 0.70 0.00 -2.10 0.00 0.00 70.33 69.34 2q3s n THR 68 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2q3s h SER 69 N 0.00 0.00 0.14 3.42 0.02 -1.96 0.26 113.55 115.42 2q3s h SER 69 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2q3s h SER 69 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2q3s h SER 69 CO 0.00 0.00 -0.02 0.61 -1.14 0.00 0.00 176.83 176.28 2q3s n GLY 70 N -0.97 -0.88 3.51 -3.77 0.00 -1.26 -4.64 105.19 97.17 2q3s n GLY 70 Ca -0.01 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.16 2.76 -0.09 1.61 0.52 0.90 -3.86 118.94 118.62 2q3s s TRP 71 Ca 0.40 -0.14 -0.07 0.00 0.02 0.00 0.00 56.10 56.32 2q3s s TRP 71 Cb 0.21 -4.12 -0.04 0.00 -1.15 0.00 0.00 33.47 28.38 2q3s s TRP 71 CO 0.40 -1.42 0.17 0.45 0.02 0.00 0.00 176.95 176.56 2q3s s SER 72 N 3.03 6.41 -0.48 2.95 0.15 -1.23 -4.64 113.70 119.88 2q3s s SER 72 Ca 0.28 0.48 -0.27 0.00 0.70 0.00 0.00 55.95 57.15 2q3s s SER 72 Cb -0.13 -2.07 -0.05 0.00 -1.71 0.00 0.00 66.02 62.06 2q3s s SER 72 CO 0.17 0.38 2.17 -0.22 1.20 0.00 0.00 173.24 176.93 2q3s s LEU 73 N -1.21 3.38 -0.05 3.45 2.96 -1.26 -2.70 118.68 123.26 2q3s s LEU 73 Ca 0.18 0.96 -0.19 0.00 -0.22 0.00 0.00 54.13 54.86 2q3s s LEU 73 Cb -0.12 -2.71 -0.13 0.00 0.50 0.00 0.00 46.19 43.72 2q3s s LEU 73 CO 0.07 -2.53 0.80 -1.28 -1.32 0.00 0.00 176.35 172.10 2q3s h SER 74 N 17.09 -0.26 -5.31 3.68 0.87 -1.69 -3.44 113.55 124.49 2q3s h SER 74 Ca -0.27 -0.24 -0.12 0.00 -1.23 0.00 0.00 61.79 59.92 2q3s h SER 74 Cb 1.22 0.07 -0.13 0.00 -0.44 0.00 0.00 62.40 63.12 2q3s h SER 74 CO 1.14 0.26 -0.36 -0.94 -0.53 0.00 0.00 176.83 176.40 2q3s s SER 75 N -5.32 0.06 -0.06 6.23 1.04 -0.55 -1.67 113.70 113.43 2q3s s SER 75 Ca -0.11 -0.96 -0.08 0.00 0.48 0.00 0.00 55.95 55.28 2q3s s SER 75 Cb 0.01 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.58 2q3s s SER 75 CO 0.41 -0.90 0.21 0.54 0.98 0.00 0.00 173.24 174.47 2q3s s VAL 76 N -4.00 0.02 -0.06 5.02 0.11 -0.22 -1.63 120.40 119.64 2q3s s VAL 76 Ca 0.21 -0.13 0.05 0.00 -2.93 0.00 0.00 61.98 59.18 2q3s s VAL 76 Cb 0.04 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 2q3s s VAL 76 CO 0.02 -0.07 -0.24 -0.75 -3.33 0.00 0.00 175.10 170.74 2q3s s LYS 77 N -0.19 2.62 -0.11 1.54 2.20 -0.21 0.11 119.74 125.71 2q3s s LYS 77 Ca -0.03 -0.88 0.02 0.00 -0.36 0.00 0.00 55.97 54.72 2q3s s LYS 77 Cb -0.03 -2.21 0.02 0.00 -1.51 0.00 0.00 37.83 34.10 2q3s s LYS 77 CO 0.01 0.38 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.72 2q3s s LEU 78 N -0.15 1.67 -0.29 5.43 1.43 0.44 0.27 118.68 127.49 2q3s s LEU 78 Ca -0.04 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2q3s s LEU 78 Cb -0.14 -1.05 0.17 0.00 0.03 0.00 0.00 46.19 45.21 2q3s s LEU 78 CO 0.04 0.00 0.48 -0.94 0.23 0.00 0.00 176.35 176.16 2q3s s SER 79 N 1.03 -0.37 1.02 2.29 1.04 0.11 0.34 113.70 119.16 2q3s s SER 79 Ca -0.06 -0.08 -0.10 0.00 0.48 0.00 0.00 55.95 56.18 2q3s s SER 79 Cb -0.15 1.46 0.14 0.00 0.10 0.00 0.00 66.02 67.58 2q3s s SER 79 CO -0.02 -0.33 0.79 0.35 0.98 0.00 0.00 173.24 175.01 2q3s n THR 80 N 5.38 0.00 -0.27 2.02 -2.24 -0.70 -4.29 114.28 114.18 2q3s n THR 80 Ca 0.02 -0.55 0.09 0.00 -2.27 0.00 0.00 64.05 61.33 2q3s n THR 80 Cb 0.51 -1.61 0.23 0.00 -2.10 0.00 0.00 70.33 67.35 2q3s n THR 80 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2q3s h ARG 81 N 0.00 0.26 -0.01 -0.78 2.43 -1.94 -3.15 114.38 111.19 2q3s h ARG 81 Ca -0.26 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 2q3s h ARG 81 Cb 0.73 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2q3s h ARG 81 CO 0.18 0.17 -0.04 -0.91 -1.51 0.00 0.00 179.97 177.86 2q3s h ASN 82 N 0.27 0.04 -2.35 -3.80 2.35 -1.91 -3.43 115.58 106.74 2q3s h ASN 82 Ca 0.47 -0.70 -0.56 0.00 -0.55 0.00 0.00 56.30 54.96 2q3s h ASN 82 Cb 0.86 -0.01 -0.13 0.00 0.05 0.00 0.00 38.32 39.08 2q3s h ASN 82 CO -0.56 0.73 -0.59 -1.48 -1.65 0.00 0.00 177.43 173.88 2q3s s LEU 83 N -8.79 2.46 -0.13 1.61 0.05 -1.19 -2.37 118.68 110.32 2q3s s LEU 83 Ca -0.17 -1.42 -0.04 0.00 0.05 0.00 0.00 54.13 52.55 2q3s s LEU 83 Cb 0.00 -0.60 0.05 0.00 -2.05 0.00 0.00 46.19 43.59 2q3s s LEU 83 CO 0.69 -0.59 0.09 0.00 -0.55 0.00 0.00 176.35 176.00 2q3s s LEU 85 N 2.16 3.81 -0.17 0.00 2.96 1.03 -1.04 118.68 127.43 2q3s s LEU 85 Ca 0.03 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 53.36 2q3s s LEU 85 Cb -0.15 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 2q3s s LEU 85 CO -0.07 -0.15 0.02 -0.36 -1.32 0.00 0.00 176.35 174.47 2q3s s PHE 86 N 1.56 3.15 -0.23 5.38 0.08 0.47 0.17 117.98 128.56 2q3s s PHE 86 Ca 0.04 -0.09 -0.02 0.00 0.12 0.00 0.00 56.93 56.97 2q3s s PHE 86 Cb -0.17 -2.03 0.01 0.00 -0.57 0.00 0.00 43.02 40.26 2q3s s PHE 86 CO 0.04 0.07 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.65 2q3s s LEU 87 N 0.39 2.96 -0.15 -0.37 1.43 0.30 0.15 118.68 123.38 2q3s s LEU 87 Ca 0.00 -0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 52.25 2q3s s LEU 87 Cb -0.13 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2q3s s LEU 87 CO 0.01 -0.07 0.68 -0.13 0.23 0.00 0.00 176.35 177.08 2q3s s ARG 88 N 1.40 4.30 -0.10 1.70 1.81 0.09 -1.05 118.95 127.10 2q3s s ARG 88 Ca 0.03 0.77 -0.13 0.00 -1.72 0.00 0.00 55.73 54.69 2q3s s ARG 88 Cb -0.15 -3.53 -0.05 0.00 -0.45 0.00 0.00 34.95 30.77 2q3s s ARG 88 CO -0.05 -0.14 0.29 -0.51 -0.68 0.00 0.00 175.30 174.21 2q3s s LEU 89 N 1.56 4.35 0.84 2.53 1.43 -0.67 -0.46 118.68 128.26 2q3s s LEU 89 Ca 0.33 0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 53.98 2q3s s LEU 89 Cb -0.16 -2.37 0.16 0.00 0.03 0.00 0.00 46.19 43.84 2q3s s LEU 89 CO 0.13 0.24 1.16 -2.16 0.23 0.00 0.00 176.35 175.95 2q3s s PRO 90 N -0.35 1.17 0.00 1.29 0.04 -1.07 -4.87 135.00 131.22 2q3s s PRO 90 Ca 0.18 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 60.51 2q3s s PRO 90 Cb -0.14 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2q3s s PRO 90 CO 0.07 -1.93 0.44 1.17 0.04 0.00 0.00 177.00 176.78 2q3s n LYS 91 N -3.32 0.00 -2.05 4.56 3.00 -1.26 -4.40 118.16 114.70 2q3s n LYS 91 Ca 0.15 0.44 -0.38 0.00 -0.00 0.00 0.00 58.31 58.51 2q3s n LYS 91 Cb 0.60 -1.17 -0.03 0.00 0.00 0.00 0.00 35.03 34.43 2q3s n LYS 91 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2q3s s PRO 92 N -1.75 2.63 0.00 1.64 0.04 -1.26 -4.79 135.00 131.51 2q3s s PRO 92 Ca 0.00 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2q3s s PRO 92 Cb 0.00 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 30.13 2q3s s PRO 92 CO 0.00 -2.75 0.00 1.19 0.04 0.00 0.00 177.00 175.48 2q3s n PHE 93 N 12.76 0.00 -0.61 0.56 3.01 -1.26 -4.83 117.46 127.08 2q3s n PHE 93 Ca 0.21 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.46 2q3s n PHE 93 Cb 0.52 -0.03 -0.01 0.00 -0.01 0.00 0.00 39.48 39.95 2q3s n PHE 93 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 2q3s n HIS 94 N 0.59 -0.63 -0.07 1.38 8.25 -1.26 -3.92 115.22 119.57 2q3s n HIS 94 Ca 0.00 0.35 0.07 0.00 -0.26 0.00 0.00 57.72 57.88 2q3s n HIS 94 Cb 0.00 -0.84 0.11 0.00 1.12 0.00 0.00 29.99 30.37 2q3s n HIS 94 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2q3s n ASP 95 N 0.99 0.00 0.22 0.41 9.92 -1.26 0.20 116.55 127.03 2q3s n ASP 95 Ca 0.06 0.16 0.06 0.00 -0.53 0.00 0.00 54.79 54.55 2q3s n ASP 95 Cb 0.15 -0.06 0.50 0.00 -0.64 0.00 0.00 41.12 41.06 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 0.00 -0.01 -2.24 -1.07 -1.83 -2.10 115.58 108.33 2q3s h ASN 96 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.49 2q3s h ASN 96 Cb 0.63 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.88 2q3s h ASN 96 CO -0.00 0.24 0.00 0.18 0.07 0.00 0.00 177.43 177.92 2q3s n LEU 97 N -4.08 0.22 0.03 6.14 4.77 0.55 -4.03 117.00 120.61 2q3s n LEU 97 Ca -0.02 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.78 2q3s n LEU 97 Cb 0.30 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 2q3s n LEU 97 CO 0.36 0.04 0.40 0.11 -1.33 0.00 0.00 177.39 176.97 2q3s h LYS 98 N 0.33 0.47 0.00 3.23 1.79 -1.55 -2.95 116.57 117.89 2q3s h LYS 98 Ca 0.00 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 2q3s h LYS 98 Cb 0.07 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2q3s h LYS 98 CO 0.00 0.97 0.49 -0.44 -1.08 0.00 0.00 179.45 179.39 2q3s h ASP 99 N 0.34 0.00 0.52 0.86 3.32 -1.77 0.81 116.42 120.50 2q3s h ASP 99 Ca -0.02 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.74 2q3s h ASP 99 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2q3s h ASP 99 CO 0.12 0.00 -1.45 0.25 -1.72 0.00 0.00 179.24 176.44 2q3s h LEU 100 N 0.00 0.35 -0.37 1.55 5.85 -1.82 -2.98 115.31 117.89 2q3s h LEU 100 Ca 0.00 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 2q3s h LEU 100 Cb 0.98 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2q3s h LEU 100 CO 0.00 1.38 0.09 1.88 -0.34 0.00 0.00 178.44 181.45 2q3s h TYR 101 N 0.06 0.61 0.00 1.25 -1.99 0.48 -1.43 116.97 115.95 2q3s h TYR 101 Ca -0.21 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.45 2q3s h TYR 101 Cb 1.99 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 40.55 2q3s h TYR 101 CO 0.06 0.60 0.00 -2.13 -0.00 0.00 0.00 178.16 176.69 2q3s n ARG 102 N -4.60 0.00 -0.19 4.88 0.63 -0.95 -2.04 116.66 114.38 2q3s n ARG 102 Ca -0.01 0.63 -0.10 0.00 -0.92 0.00 0.00 57.85 57.45 2q3s n ARG 102 Cb 0.19 -1.47 -0.06 0.00 0.45 0.00 0.00 32.46 31.58 2q3s n ARG 102 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 2q3s h PHE 103 N 0.00 -1.46 -0.81 -0.14 3.57 -1.58 -0.21 116.94 116.31 2q3s h PHE 103 Ca 0.00 0.09 0.18 0.00 3.53 0.00 0.00 57.97 61.76 2q3s h PHE 103 Cb 0.00 0.71 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 2q3s h PHE 103 CO -0.15 -0.44 0.54 0.74 -2.23 0.00 0.00 178.31 176.77 2q3s h PHE 104 N -0.27 0.45 -0.01 0.41 0.05 -1.31 0.70 116.94 116.95 2q3s h PHE 104 Ca 0.14 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.95 2q3s h PHE 104 Cb 0.57 -0.14 0.00 0.00 2.00 0.00 0.00 35.95 38.38 2q3s h PHE 104 CO -0.73 0.15 -0.11 0.00 -0.18 0.00 0.00 178.31 177.44 2q3s n ALA 105 N -2.54 2.78 -1.50 2.45 0.00 -0.34 -4.06 120.51 117.31 2q3s n ALA 105 Ca 0.16 -0.42 -0.38 0.00 0.00 0.00 0.00 53.44 52.80 2q3s n ALA 105 Cb 0.63 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.20 -0.65 -1.32 0.00 2.88 0.24 -3.76 113.62 110.81 2q3s n SER 106 Ca 0.16 0.75 -0.06 0.00 -1.33 0.00 0.00 58.87 58.39 2q3s n SER 106 Cb 0.35 -1.22 0.20 0.00 -0.75 0.00 0.00 64.21 62.79 2q3s n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2q3s n LYS 107 N -0.29 2.02 -0.00 -1.46 5.02 -1.26 -4.21 118.16 117.97 2q3s n LYS 107 Ca 0.12 -3.14 0.04 0.00 -2.02 0.00 0.00 58.31 53.32 2q3s n LYS 107 Cb 0.48 -1.88 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 2q3s n LYS 107 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2q3s n PHE 108 N -1.06 0.00 -3.94 2.13 3.72 -1.26 -5.02 117.46 112.02 2q3s n PHE 108 Ca 0.36 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.66 2q3s n PHE 108 Cb 1.13 -0.18 -0.12 0.00 -0.94 0.00 0.00 39.48 39.36 2q3s n PHE 108 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2q3s s VAL 109 N -2.54 0.09 -0.04 -4.37 -7.23 -1.26 -4.87 120.40 100.18 2q3s s VAL 109 Ca -0.03 -0.55 -0.23 0.00 -1.81 0.00 0.00 61.98 59.36 2q3s s VAL 109 Cb 0.06 -0.18 -0.04 0.00 0.56 0.00 0.00 36.38 36.78 2q3s s VAL 109 CO 0.35 -0.29 0.69 -0.89 -0.31 0.00 0.00 175.10 174.66 2q3s s THR 110 N -0.86 4.99 -0.50 5.32 2.01 0.82 -4.86 115.64 122.57 2q3s s THR 110 Ca -0.09 1.44 -0.20 0.00 0.31 0.00 0.00 61.69 63.15 2q3s s THR 110 Cb -0.06 -4.03 0.05 0.00 0.01 0.00 0.00 72.50 68.46 2q3s s THR 110 CO -0.01 0.29 0.65 -0.36 -0.69 0.00 0.00 174.62 174.51 2q3s s PHE 111 N 0.55 3.03 -0.46 4.92 0.08 -1.09 0.58 117.98 125.59 2q3s s PHE 111 Ca 0.37 -0.39 -0.20 0.00 0.12 0.00 0.00 56.93 56.82 2q3s s PHE 111 Cb -0.18 -3.53 0.03 0.00 -0.57 0.00 0.00 43.02 38.77 2q3s s PHE 111 CO 0.19 -1.02 0.63 0.08 -0.10 0.00 0.00 175.22 174.99 2q3s s VAL 112 N 2.78 4.85 0.28 -0.44 1.01 -0.95 0.33 120.40 128.26 2q3s s VAL 112 Ca 0.18 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.13 2q3s s VAL 112 Cb -0.17 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 2q3s s VAL 112 CO 0.14 -0.65 -0.06 -0.83 0.00 0.00 0.00 175.10 173.69 2q3s s GLY 113 N 2.18 1.83 -0.18 4.51 0.00 -0.22 -2.72 107.32 112.73 2q3s s GLY 113 Ca 0.20 -1.90 -0.02 0.00 0.00 0.00 0.00 44.72 42.99 2q3s s GLY 113 CO 0.17 -1.85 -0.07 0.14 0.00 0.00 0.00 173.10 171.48 2q3s s VAL 114 N -2.99 3.33 -0.20 1.40 1.01 -1.26 -2.86 120.40 118.83 2q3s s VAL 114 Ca 0.29 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 2q3s s VAL 114 Cb 0.03 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.96 2q3s s VAL 114 CO 0.12 0.47 0.05 0.00 0.00 0.00 0.00 175.10 175.74 2q3s n GLN 115 N 4.12 -2.94 0.00 2.72 1.13 -1.26 -4.99 117.38 116.16 2q3s n GLN 115 Ca -0.18 2.43 0.00 0.00 -1.94 0.00 0.00 57.00 57.30 2q3s n GLN 115 Cb 0.52 -4.13 0.00 0.00 0.11 0.00 0.00 30.24 26.74 2q3s n GLN 115 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2q3s n ILE 116 N 1.16 0.09 -0.04 5.09 -5.35 -1.26 -4.72 119.36 114.33 2q3s n ILE 116 Ca -0.09 -0.27 -0.06 0.00 -0.27 0.00 0.00 62.75 62.06 2q3s n ILE 116 Cb 0.23 1.40 -0.04 0.00 -1.74 0.00 0.00 39.64 39.49 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 0.00 -0.18 -0.39 6.28 4.81 -1.99 0.17 114.58 123.26 2q3s h GLU 117 Ca 0.00 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2q3s h GLU 117 Cb 0.37 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 2q3s h GLU 117 CO 0.00 -0.12 0.11 0.93 -0.73 0.00 0.00 179.01 179.19 2q3s h GLU 118 N -0.19 0.24 -0.62 1.92 4.39 -1.98 0.88 114.58 119.22 2q3s h GLU 118 Ca 0.02 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.83 2q3s h GLU 118 Cb 0.26 -0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 28.77 2q3s h GLU 118 CO -0.23 0.16 0.12 -0.44 -1.16 0.00 0.00 179.01 177.47 2q3s h ASP 119 N 0.25 -0.02 -0.03 1.42 3.32 -1.74 0.61 116.42 120.23 2q3s h ASP 119 Ca 0.19 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 2q3s h ASP 119 Cb 0.20 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2q3s h ASP 119 CO -0.22 -0.01 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.14 2q3s h LEU 120 N 0.25 0.12 -0.66 1.55 3.38 -0.14 -0.74 115.31 119.07 2q3s h LEU 120 Ca 0.33 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2q3s h LEU 120 Cb 0.50 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2q3s h LEU 120 CO -0.43 0.70 0.37 0.44 0.09 0.00 0.00 178.44 179.62 2q3s h ASP 121 N -0.45 0.81 -0.39 -0.43 3.32 -0.67 0.61 116.42 119.22 2q3s h ASP 121 Ca -0.00 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 2q3s h ASP 121 Cb 0.69 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2q3s h ASP 121 CO 0.02 0.66 0.02 -0.07 -1.72 0.00 0.00 179.24 178.14 2q3s h LEU 122 N 0.90 0.67 -1.35 1.55 3.38 0.16 -0.07 115.31 120.55 2q3s h LEU 122 Ca 0.23 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2q3s h LEU 122 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2q3s h LEU 122 CO -0.04 0.80 0.03 -0.07 0.09 0.00 0.00 178.44 179.25 2q3s h LEU 123 N 0.52 0.43 -0.52 1.67 3.38 -0.66 1.21 115.31 121.33 2q3s h LEU 123 Ca 0.11 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 2q3s h LEU 123 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2q3s h LEU 123 CO 0.02 0.47 -0.69 -0.09 0.09 0.00 0.00 178.44 178.24 2q3s h ARG 124 N 0.45 0.24 0.02 1.13 2.43 0.55 -1.88 114.38 117.32 2q3s h ARG 124 Ca 0.10 -0.19 -0.26 0.00 -0.81 0.00 0.00 59.98 58.82 2q3s h ARG 124 Cb 0.25 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2q3s h ARG 124 CO 0.00 0.84 -1.43 0.39 -1.51 0.00 0.00 179.97 178.26 2q3s n GLU 125 N -3.81 0.59 0.05 0.20 1.02 -0.07 -3.05 120.64 115.59 2q3s n GLU 125 Ca -0.03 0.52 0.13 0.00 -0.02 0.00 0.00 57.16 57.76 2q3s n GLU 125 Cb 0.68 -1.73 0.48 0.00 -0.02 0.00 0.00 31.44 30.84 2q3s n GLU 125 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2q3s n ASN 126 N -4.29 0.45 0.00 1.62 4.13 0.41 -4.28 115.26 113.30 2q3s n ASN 126 Ca -0.33 0.48 0.00 0.00 1.68 0.00 0.00 54.58 56.41 2q3s n ASN 126 Cb 0.74 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.42 2q3s n ASN 126 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2q3s n HIS 127 N -1.90 0.00 -3.65 3.10 8.25 -1.12 -4.88 115.22 115.03 2q3s n HIS 127 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 2q3s n HIS 127 Cb 0.39 0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.55 2q3s n HIS 127 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2q3s n GLY 128 N 0.00 -0.61 3.09 -1.41 0.00 -0.90 -4.97 105.19 100.39 2q3s n GLY 128 Ca 0.00 0.29 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.46 1.80 -0.10 0.99 0.20 -0.76 -5.00 118.68 109.36 2q3s s LEU 129 Ca 0.21 -0.40 0.04 0.00 0.69 0.00 0.00 54.13 54.67 2q3s s LEU 129 Cb -0.06 -1.05 -0.00 0.00 -0.43 0.00 0.00 46.19 44.65 2q3s s LEU 129 CO 0.82 0.08 -0.23 -0.69 -0.29 0.00 0.00 176.35 176.04 2q3s s VAL 130 N 0.57 2.13 -0.73 1.68 1.01 -1.26 -3.48 120.40 120.32 2q3s s VAL 130 Ca -0.16 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 2q3s s VAL 130 Cb -0.17 -1.82 0.19 0.00 0.00 0.00 0.00 36.38 34.59 2q3s s VAL 130 CO 0.05 0.56 0.62 -0.63 0.00 0.00 0.00 175.10 175.70 2q3s s ILE 131 N 0.32 4.77 0.53 2.22 1.01 -1.26 -3.34 121.20 125.46 2q3s s ILE 131 Ca -0.18 -2.65 0.25 0.00 0.00 0.00 0.00 60.65 58.07 2q3s s ILE 131 Cb -0.18 -4.01 0.38 0.00 0.01 0.00 0.00 42.46 38.67 2q3s s ILE 131 CO 0.09 -0.96 2.01 0.03 0.00 0.00 0.00 174.94 176.11 2q3s h ARG 132 N 7.50 0.00 -3.29 2.79 3.08 -1.70 -3.36 114.38 119.39 2q3s h ARG 132 Ca 0.04 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.51 2q3s h ARG 132 Cb 1.00 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.66 2q3s h ARG 132 CO 0.74 0.00 -0.76 1.21 -1.07 0.00 0.00 179.97 180.09 2q3s s ASN 133 N -6.25 3.83 0.13 7.04 3.04 -1.26 -5.07 114.94 116.41 2q3s s ASN 133 Ca -0.05 -1.76 -0.02 0.00 0.04 0.00 0.00 52.86 51.07 2q3s s ASN 133 Cb 0.19 -0.78 -0.04 0.00 -1.54 0.00 0.00 41.25 39.09 2q3s s ASN 133 CO 0.71 -0.39 0.08 0.00 -3.04 0.00 0.00 177.10 174.46 2q3s s ALA 134 N 1.48 0.75 -0.02 1.71 0.00 -1.26 -2.66 121.76 121.76 2q3s s ALA 134 Ca 0.11 -1.40 -0.10 0.00 0.00 0.00 0.00 51.96 50.57 2q3s s ALA 134 Cb -0.18 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.80 2q3s s ALA 134 CO -0.21 -0.50 0.22 -1.50 0.00 0.00 0.00 175.76 173.77 2q3s s ILE 135 N -4.03 0.06 -0.41 0.00 1.10 0.15 -4.84 121.20 113.23 2q3s s ILE 135 Ca 0.23 -0.49 -0.18 0.00 -0.51 0.00 0.00 60.65 59.70 2q3s s ILE 135 Cb 0.07 -0.49 0.01 0.00 0.15 0.00 0.00 42.46 42.21 2q3s s ILE 135 CO 0.01 -0.27 0.49 0.21 -2.11 0.00 0.00 174.94 173.27 2q3s s ASN 136 N -1.09 6.24 0.35 4.50 2.47 -1.26 -1.06 114.94 125.09 2q3s s ASN 136 Ca -0.12 -0.46 0.20 0.00 0.42 0.00 0.00 52.86 52.91 2q3s s ASN 136 Cb -0.06 -2.25 0.20 0.00 -1.45 0.00 0.00 41.25 37.69 2q3s s ASN 136 CO 0.02 -0.59 1.46 1.62 -3.72 0.00 0.00 177.10 175.89 2q3s h VAL 137 N 5.73 0.27 -0.16 -5.21 3.04 -1.92 -3.27 116.25 114.73 2q3s h VAL 137 Ca -0.27 -1.40 -0.15 0.00 -1.01 0.00 0.00 66.70 63.87 2q3s h VAL 137 Cb 1.11 2.07 -0.01 0.00 -2.01 0.00 0.00 31.29 32.45 2q3s h VAL 137 CO 0.80 0.16 -0.54 1.23 -1.01 0.00 0.00 177.57 178.21 2q3s h GLY 138 N 3.84 0.50 2.00 3.17 0.00 -1.85 0.12 103.07 110.85 2q3s h GLY 138 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 2q3s h GLY 138 CO 0.02 0.51 -0.06 1.70 0.00 0.00 0.00 176.54 178.71 2q3s h LYS 139 N 0.35 0.00 0.04 4.80 3.64 -1.78 0.76 116.57 124.38 2q3s h LYS 139 Ca 0.01 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 2q3s h LYS 139 Cb 1.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 2q3s h LYS 139 CO 0.10 0.06 -0.73 1.25 -2.27 0.00 0.00 179.45 177.85 2q3s h LEU 140 N 0.00 0.13 -1.36 5.20 5.85 -1.46 -2.72 115.31 120.94 2q3s h LEU 140 Ca -0.00 -0.83 -0.01 0.00 0.84 0.00 0.00 57.88 57.88 2q3s h LEU 140 Cb 0.48 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2q3s h LEU 140 CO 0.01 1.31 0.25 0.00 -0.34 0.00 0.00 178.44 179.67 2q3s h ALA 141 N -0.14 1.51 -0.29 1.25 0.00 -0.63 0.23 119.26 121.20 2q3s h ALA 141 Ca -0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2q3s h ALA 141 Cb 1.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2q3s h ALA 141 CO -0.03 0.40 0.03 0.00 0.00 0.00 0.00 179.25 179.65 2q3s h ALA 142 N 1.59 0.38 -0.06 0.00 0.00 -0.94 -2.06 119.26 118.17 2q3s h ALA 142 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2q3s h ALA 142 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2q3s h ALA 142 CO -0.03 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.71 2q3s n GLU 143 N -4.62 1.21 -0.41 0.00 -0.58 -0.37 -2.56 120.64 113.31 2q3s n GLU 143 Ca -0.03 -0.32 0.01 0.00 -0.42 0.00 0.00 57.16 56.41 2q3s n GLU 143 Cb 0.23 -1.26 0.02 0.00 -0.57 0.00 0.00 31.44 29.85 2q3s n GLU 143 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2q3s n ALA 144 N -0.41 1.96 0.00 0.62 0.00 0.67 -4.76 120.51 118.59 2q3s n ALA 144 Ca 0.12 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2q3s n ALA 144 Cb 0.12 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.16 4.99 -1.14 0.00 5.12 -0.80 -4.97 116.66 119.70 2q3s n ARG 145 Ca 0.02 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.89 2q3s n ARG 145 Cb 0.67 -0.44 -0.02 0.00 -1.16 0.00 0.00 32.46 31.51 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 0.07 0.74 3.21 -0.13 0.00 -1.06 -5.02 105.19 103.00 2q3s n GLY 146 Ca 0.00 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 2q3s n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q3s s THR 147 N -2.12 3.25 0.31 2.61 2.01 -1.24 -5.01 115.64 115.46 2q3s s THR 147 Ca 0.00 -1.26 0.05 0.00 0.31 0.00 0.00 61.69 60.79 2q3s s THR 147 Cb 0.00 -2.84 0.09 0.00 0.01 0.00 0.00 72.50 69.77 2q3s s THR 147 CO 0.00 -0.10 1.78 -0.07 -0.69 0.00 0.00 174.62 175.54 2q3s h LEU 148 N 8.07 0.40 -2.51 4.42 3.38 -1.95 -3.02 115.31 124.09 2q3s h LEU 148 Ca -0.23 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 2q3s h LEU 148 Cb 1.07 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2q3s h LEU 148 CO 0.56 0.62 -0.02 1.62 0.09 0.00 0.00 178.44 181.31 2q3s h VAL 149 N 0.37 0.32 -0.49 1.22 3.04 -1.95 -2.90 116.25 115.85 2q3s h VAL 149 Ca 0.06 -0.12 0.14 0.00 -1.01 0.00 0.00 66.70 65.78 2q3s h VAL 149 Cb 0.58 1.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.93 2q3s h VAL 149 CO 0.04 0.02 0.42 -0.07 -1.01 0.00 0.00 177.57 176.97 2q3s h LEU 150 N 0.00 0.00 -1.58 3.16 3.38 -1.81 0.54 115.31 118.99 2q3s h LEU 150 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2q3s h LEU 150 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2q3s h LEU 150 CO 0.00 0.00 -0.18 -0.08 0.09 0.00 0.00 178.44 178.28 2q3s h GLU 151 N 0.00 0.00 -0.70 1.13 4.81 -1.44 -3.16 114.58 115.21 2q3s h GLU 151 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2q3s h GLU 151 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2q3s h GLU 151 CO -0.00 0.18 0.00 1.19 -0.73 0.00 0.00 179.01 179.64 2q3s n PHE 152 N -3.56 0.95 -3.74 0.92 3.72 0.19 -4.67 117.46 111.27 2q3s n PHE 152 Ca -0.01 -0.47 -0.29 0.00 -0.05 0.00 0.00 57.45 56.63 2q3s n PHE 152 Cb 0.32 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.82 2q3s n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2q3s s LEU 153 N -1.02 4.26 0.00 4.37 1.43 -1.19 -5.09 118.68 121.44 2q3s s LEU 153 Ca 0.47 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 2q3s s LEU 153 Cb 0.25 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 43.31 2q3s s LEU 153 CO 0.32 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.52 2q3s n GLY 154 N -0.33 0.38 0.08 -3.19 0.00 -1.26 -4.71 105.19 96.15 2q3s n GLY 154 Ca -0.04 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 1.26 -0.01 2.61 2.02 -1.99 -1.72 112.91 115.07 2q3s h THR 155 Ca 0.00 -1.17 -0.13 0.00 0.77 0.00 0.00 66.41 65.88 2q3s h THR 155 Cb 0.00 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 2q3s h THR 155 CO 0.00 0.29 -0.59 -0.09 0.37 0.00 0.00 175.52 175.50 2q3s h ARG 156 N -0.61 0.05 0.12 6.66 1.12 -1.95 -2.59 114.38 117.17 2q3s h ARG 156 Ca -0.01 -0.03 -0.30 0.00 -1.11 0.00 0.00 59.98 58.53 2q3s h ARG 156 Cb 0.53 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 2q3s h ARG 156 CO 0.01 0.62 -1.49 0.93 -3.11 0.00 0.00 179.97 176.93 2q3s h GLU 157 N 0.04 0.25 -0.45 0.20 4.39 -1.94 -0.38 114.58 116.69 2q3s h GLU 157 Ca -0.01 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.23 2q3s h GLU 157 Cb 1.05 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 2q3s h GLU 157 CO 0.08 1.12 0.12 1.25 -1.16 0.00 0.00 179.01 180.41 2q3s h LEU 158 N 0.07 0.61 0.05 1.33 5.85 -1.34 0.76 115.31 122.65 2q3s h LEU 158 Ca -0.23 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 2q3s h LEU 158 Cb 2.01 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.88 2q3s h LEU 158 CO 0.17 0.60 -0.02 0.00 -0.34 0.00 0.00 178.44 178.85 2q3s h ALA 159 N 1.48 -0.61 -0.75 1.25 0.00 -1.50 -1.12 119.26 118.01 2q3s h ALA 159 Ca 0.15 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.15 2q3s h ALA 159 Cb 0.23 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 2q3s h ALA 159 CO -0.00 -0.61 -0.32 1.58 0.00 0.00 0.00 179.25 179.90 2q3s n HIS 160 N -2.28 -0.04 0.31 0.00 -0.00 -0.15 0.19 115.22 113.24 2q3s n HIS 160 Ca -0.01 0.93 0.16 0.00 -0.00 0.00 0.00 57.72 58.81 2q3s n HIS 160 Cb 0.03 -0.74 0.67 0.00 -0.00 0.00 0.00 29.99 29.94 2q3s n HIS 160 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2q3s h ARG 161 N 0.00 0.00 0.00 1.57 2.47 -0.92 -1.74 114.38 115.76 2q3s h ARG 161 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 2q3s h ARG 161 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 2q3s h ARG 161 CO -0.74 0.00 0.00 0.28 0.56 0.00 0.00 179.97 180.07 2q3s n VAL 162 N -2.88 0.00 -0.11 2.04 0.31 0.50 -4.65 118.33 113.54 2q3s n VAL 162 Ca 0.01 0.09 0.25 0.00 -0.01 0.00 0.00 64.34 64.68 2q3s n VAL 162 Cb 0.27 -1.02 0.71 0.00 -0.91 0.00 0.00 33.84 32.90 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 0.00 0.00 -2.54 7.52 3.38 -0.25 -3.45 115.31 119.96 2q3s h LEU 163 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 2q3s h LEU 163 Cb 0.00 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.79 2q3s h LEU 163 CO 0.00 0.00 -0.90 0.79 0.09 0.00 0.00 178.44 178.42 2q3s n TRP 164 N -4.29 -1.83 -3.82 1.13 7.02 -0.65 -4.99 117.44 110.01 2q3s n TRP 164 Ca 0.15 0.61 -0.07 0.00 -1.02 0.00 0.00 57.50 57.18 2q3s n TRP 164 Cb 0.82 -3.70 -0.01 0.00 -2.42 0.00 0.00 31.31 26.01 2q3s n TRP 164 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2q3s n SER 165 N -2.84 1.77 -4.72 -0.99 3.41 -1.26 -5.08 113.62 103.90 2q3s n SER 165 Ca -0.20 -1.48 -0.37 0.00 -0.26 0.00 0.00 58.87 56.55 2q3s n SER 165 Cb 0.64 0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.73 6.60 -0.42 4.04 2.15 -1.26 -4.88 116.67 121.16 2q3s s ASP 166 Ca 0.05 0.71 0.05 0.00 0.43 0.00 0.00 52.55 53.78 2q3s s ASP 166 Cb -0.00 -2.25 0.44 0.00 -0.30 0.00 0.00 42.92 40.81 2q3s s ASP 166 CO 0.03 0.04 1.33 0.18 -0.17 0.00 0.00 175.17 176.57 2q3s n LEU 167 N 3.62 5.38 0.06 -1.34 4.77 -1.26 -4.76 117.00 123.48 2q3s n LEU 167 Ca -0.09 -4.85 -0.22 0.00 -0.03 0.00 0.00 56.01 50.83 2q3s n LEU 167 Cb 0.52 -0.51 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 2q3s n LEU 167 CO 0.42 2.05 -0.15 1.23 -1.33 0.00 0.00 177.39 179.60 2q3s h GLY 168 N 2.34 0.40 0.32 -0.72 0.00 -1.98 -2.97 103.07 100.46 2q3s h GLY 168 Ca 0.39 -1.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 2q3s h GLY 168 CO 0.94 0.89 -0.15 -1.61 0.00 0.00 0.00 176.54 176.61 2q3s h GLN 169 N -0.21 -0.41 -0.97 4.80 5.75 -2.01 -0.63 115.11 121.42 2q3s h GLN 169 Ca -0.22 0.03 0.19 0.00 -0.15 0.00 0.00 58.65 58.50 2q3s h GLN 169 Cb 1.81 0.09 -0.18 0.00 1.07 0.00 0.00 27.48 30.28 2q3s h GLN 169 CO 0.16 -0.27 -0.27 -0.11 -2.65 0.00 0.00 178.83 175.69 2q3s n LEU 170 N -3.47 -0.40 -0.25 -2.39 7.94 -1.26 -0.44 117.00 116.72 2q3s n LEU 170 Ca -0.05 1.68 0.02 0.00 -1.11 0.00 0.00 56.01 56.55 2q3s n LEU 170 Cb 0.17 -0.49 0.15 0.00 0.53 0.00 0.00 43.42 43.78 2q3s n LEU 170 CO 0.13 -1.59 1.06 0.44 -1.11 0.00 0.00 177.39 176.31 2q3s h ASP 171 N 0.00 0.42 -0.40 1.96 3.32 -1.34 -1.64 116.42 118.75 2q3s h ASP 171 Ca 0.44 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2q3s h ASP 171 Cb 0.69 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 2q3s h ASP 171 CO -1.00 0.23 0.26 0.77 -1.72 0.00 0.00 179.24 177.78 2q3s h SER 172 N 0.57 0.46 -0.14 6.45 4.64 0.87 0.38 113.55 126.77 2q3s h SER 172 Ca 0.37 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.59 2q3s h SER 172 Cb 0.43 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2q3s h SER 172 CO -0.30 0.34 -0.15 0.40 -0.87 0.00 0.00 176.83 176.25 2q3s h ILE 173 N 0.54 1.24 0.55 0.95 2.04 -1.41 -3.28 117.51 118.15 2q3s h ILE 173 Ca 0.15 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 2q3s h ILE 173 Cb -0.06 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2q3s h ILE 173 CO -0.03 0.36 -0.27 -0.08 0.00 0.00 0.00 178.15 178.13 2q3s h GLU 174 N 0.48 -0.72 -0.64 2.37 4.57 -0.28 -3.26 114.58 117.11 2q3s h GLU 174 Ca 0.08 0.05 0.15 0.00 -1.18 0.00 0.00 59.36 58.46 2q3s h GLU 174 Cb 0.55 0.16 -0.12 0.00 -0.16 0.00 0.00 28.75 29.18 2q3s h GLU 174 CO 0.04 -0.48 -0.08 0.00 -1.18 0.00 0.00 179.01 177.31 2q3s n ALA 175 N -2.46 0.24 -1.95 2.92 0.00 0.12 -0.46 120.51 118.92 2q3s n ALA 175 Ca -0.09 0.69 -0.39 0.00 0.00 0.00 0.00 53.44 53.64 2q3s n ALA 175 Cb 0.29 -0.46 0.04 0.00 0.00 0.00 0.00 19.45 19.32 2q3s n ALA 175 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2q3s n LYS 176 N -4.94 2.80 0.16 0.00 2.85 -1.23 -4.80 118.16 113.00 2q3s n LYS 176 Ca 0.12 -3.57 0.07 0.00 -1.05 0.00 0.00 58.31 53.88 2q3s n LYS 176 Cb 0.40 -2.27 0.37 0.00 -0.65 0.00 0.00 35.03 32.88 2q3s n LYS 176 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 177.40 179.22 2q3s n TRP 177 N -0.53 0.46 0.26 5.58 -0.00 0.39 -0.45 117.44 123.15 2q3s n TRP 177 Ca 0.53 0.24 0.11 0.00 -0.00 0.00 0.00 57.50 58.38 2q3s n TRP 177 Cb 0.25 -0.71 -0.10 0.00 -0.00 0.00 0.00 31.31 30.74 2q3s n TRP 177 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 2q3s n GLU 178 N -2.05 0.48 -0.08 5.87 0.00 -1.26 -4.40 120.64 119.21 2q3s n GLU 178 Ca -0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 57.16 56.98 2q3s n GLU 178 Cb 0.28 -1.57 -0.15 0.00 0.00 0.00 0.00 31.44 29.99 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 -2.15 0.67 -1.69 3.44 5.02 0.40 -4.93 118.16 118.92 2q3s n LYS 179 Ca -0.01 0.05 -0.44 0.00 -2.02 0.00 0.00 58.31 55.89 2q3s n LYS 179 Cb 0.51 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 2q3s n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2q3s n ALA 180 N -2.67 1.71 -1.93 7.82 0.00 -0.77 -4.98 120.51 119.69 2q3s n ALA 180 Ca -0.27 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 2q3s n ALA 180 Cb 1.10 -2.37 0.16 0.00 0.00 0.00 0.00 19.45 18.34 2q3s n ALA 180 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2q3s s GLY 181 N 0.59 1.74 0.60 0.00 0.00 -1.26 -4.78 107.32 104.21 2q3s s GLY 181 Ca 0.70 -1.14 0.30 0.00 0.00 0.00 0.00 44.72 44.59 2q3s s GLY 181 CO 0.45 -0.44 2.13 -0.56 0.00 0.00 0.00 173.10 174.67 2q3s h PRO 182 N -1.42 0.00 0.33 2.90 0.13 -1.98 -1.48 132.00 130.47 2q3s h PRO 182 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 2q3s h PRO 182 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2q3s h PRO 182 CO 0.44 0.00 -0.16 1.49 -0.23 0.00 0.00 178.00 179.54 2q3s h GLU 183 N 0.00 -0.42 0.00 0.86 4.57 -1.99 -0.12 114.58 117.48 2q3s h GLU 183 Ca 0.06 0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.15 2q3s h GLU 183 Cb 0.39 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 2q3s h GLU 183 CO -0.00 -0.15 -0.56 0.93 -1.18 0.00 0.00 179.01 178.05 2q3s h GLU 184 N -0.66 0.00 -0.09 1.92 5.08 -1.80 -1.45 114.58 117.57 2q3s h GLU 184 Ca -0.04 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2q3s h GLU 184 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2q3s h GLU 184 CO 0.07 0.56 -0.48 1.96 -1.00 0.00 0.00 179.01 180.12 2q3s h GLN 185 N 0.00 0.24 -0.15 2.33 4.20 -1.28 0.19 115.11 120.64 2q3s h GLN 185 Ca -0.01 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.44 2q3s h GLN 185 Cb 1.07 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 2q3s h GLN 185 CO 0.07 0.68 -0.49 1.25 -0.67 0.00 0.00 178.83 179.67 2q3s h LEU 186 N 0.19 0.42 -0.36 1.46 6.46 -0.54 -2.87 115.31 120.07 2q3s h LEU 186 Ca 0.01 -0.20 -0.18 0.00 -0.12 0.00 0.00 57.88 57.39 2q3s h LEU 186 Cb 0.93 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.74 2q3s h LEU 186 CO 0.08 0.84 -0.54 -0.08 -0.62 0.00 0.00 178.44 178.12 2q3s h GLU 187 N 0.31 0.80 -0.87 1.25 4.81 -0.42 -2.99 114.58 117.46 2q3s h GLU 187 Ca 0.02 -0.50 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2q3s h GLU 187 Cb 0.97 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2q3s h GLU 187 CO 0.08 1.13 0.58 0.00 -0.73 0.00 0.00 179.01 180.07 2q3s h ALA 188 N 0.77 1.38 -0.47 2.92 0.00 -0.52 -2.40 119.26 120.93 2q3s h ALA 188 Ca 0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2q3s h ALA 188 Cb 1.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2q3s h ALA 188 CO 0.12 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.94 2q3s h ALA 189 N 1.45 0.64 0.44 0.00 0.00 -1.47 -2.33 119.26 117.99 2q3s h ALA 189 Ca 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2q3s h ALA 189 Cb -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2q3s h ALA 189 CO -0.07 0.45 -0.21 0.00 0.00 0.00 0.00 179.25 179.41 2q3s h ALA 190 N 0.92 -0.59 -0.26 0.00 0.00 -1.32 -1.49 119.26 116.51 2q3s h ALA 190 Ca 0.13 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2q3s h ALA 190 Cb 0.52 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 2q3s h ALA 190 CO 0.03 -0.74 -0.43 0.82 0.00 0.00 0.00 179.25 178.92 2q3s h ILE 191 N -0.77 0.12 -0.86 0.00 2.04 -1.53 -1.23 117.51 115.27 2q3s h ILE 191 Ca -0.06 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.93 2q3s h ILE 191 Cb 0.54 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 2q3s h ILE 191 CO 0.10 0.00 0.56 -0.33 0.00 0.00 0.00 178.15 178.48 2q3s h GLU 192 N -0.42 0.69 0.00 2.37 5.08 -1.35 -1.37 114.58 119.58 2q3s h GLU 192 Ca 0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2q3s h GLU 192 Cb 0.61 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2q3s h GLU 192 CO -0.48 0.46 0.00 0.41 -1.00 0.00 0.00 179.01 178.39 2q3s n GLY 193 N -1.44 -2.67 0.14 -3.84 0.00 -0.53 -2.33 105.19 94.51 2q3s n GLY 193 Ca 0.16 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.28 2q3s n GLY 193 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2q3s n TRP 194 N -1.47 0.29 -0.27 1.61 -0.00 -0.80 0.55 117.44 117.36 2q3s n TRP 194 Ca 0.00 0.48 0.05 0.00 -0.00 0.00 0.00 57.50 58.04 2q3s n TRP 194 Cb 0.00 -0.82 0.28 0.00 -0.00 0.00 0.00 31.31 30.76 2q3s n TRP 194 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2q3s h LEU 195 N 0.00 0.83 -0.04 5.87 3.38 -1.07 -0.74 115.31 123.53 2q3s h LEU 195 Ca 0.26 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2q3s h LEU 195 Cb 0.57 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2q3s h LEU 195 CO -0.37 0.53 -0.13 0.40 0.09 0.00 0.00 178.44 178.96 2q3s h ILE 196 N 0.94 1.45 -0.75 1.22 1.08 1.48 0.55 117.51 123.47 2q3s h ILE 196 Ca 0.37 -1.52 0.14 0.00 -0.39 0.00 0.00 64.86 63.46 2q3s h ILE 196 Cb 0.25 2.34 -0.10 0.00 -3.07 0.00 0.00 36.82 36.24 2q3s h ILE 196 CO -0.14 0.42 0.29 0.58 -0.69 0.00 0.00 178.15 178.61 2q3s h VAL 197 N -0.38 0.65 -0.18 1.67 2.07 -1.29 1.69 116.25 120.48 2q3s h VAL 197 Ca -0.00 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 2q3s h VAL 197 Cb 0.74 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2q3s h VAL 197 CO 0.03 0.08 -0.06 0.78 0.02 0.00 0.00 177.57 178.41 2q3s h ASN 198 N 0.43 0.37 -0.70 0.57 2.35 -1.08 1.72 115.58 119.24 2q3s h ASN 198 Ca 0.41 -0.39 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2q3s h ASN 198 Cb 0.63 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 2q3s h ASN 198 CO -0.41 0.68 0.44 0.58 -1.65 0.00 0.00 177.43 177.07 2q3s h VAL 199 N 0.06 1.10 -0.07 2.81 2.07 0.98 -1.10 116.25 122.10 2q3s h VAL 199 Ca 0.04 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2q3s h VAL 199 Cb 0.53 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2q3s h VAL 199 CO 0.02 0.16 0.02 -0.25 0.02 0.00 0.00 177.57 177.54 2q3s h TRP 200 N 0.86 0.12 -0.78 1.57 2.91 0.29 -1.86 115.95 119.06 2q3s h TRP 200 Ca 0.28 -0.01 0.14 0.00 1.13 0.00 0.00 58.89 60.43 2q3s h TRP 200 Cb 0.01 -0.03 -0.09 0.00 -0.51 0.00 0.00 29.16 28.53 2q3s h TRP 200 CO -0.04 0.26 0.34 -0.44 -1.03 0.00 0.00 178.44 177.53 2q3s h ASP 201 N -0.06 0.37 0.26 2.65 3.32 0.31 0.25 116.42 123.51 2q3s h ASP 201 Ca 0.02 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2q3s h ASP 201 Cb 0.20 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2q3s h ASP 201 CO -0.00 0.15 -0.12 1.56 -1.72 0.00 0.00 179.24 179.11 2q3s h GLN 202 N 0.51 -0.33 0.12 3.56 4.20 -1.06 -3.30 115.11 118.81 2q3s h GLN 202 Ca 0.42 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.16 2q3s h GLN 202 Cb 0.61 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 2q3s h GLN 202 CO -0.38 -0.05 -0.15 -0.07 -0.67 0.00 0.00 178.83 177.51 2q3s h LEU 203 N -0.60 -0.40 -1.70 1.46 3.38 -0.51 -2.43 115.31 114.51 2q3s h LEU 203 Ca -0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2q3s h LEU 203 Cb 0.44 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2q3s h LEU 203 CO 0.06 -0.22 0.13 -1.28 0.09 0.00 0.00 178.44 177.22 2q3s h SER 204 N -0.31 0.00 -0.00 -0.43 0.87 -0.65 -2.24 113.55 110.79 2q3s h SER 204 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2q3s h SER 204 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2q3s h SER 204 CO -0.06 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 175.34 2q3s n ASP 205 N -2.47 1.14 -0.84 6.23 5.68 -1.15 -5.11 116.55 120.03 2q3s n ASP 205 Ca -0.02 -1.09 0.10 0.00 -0.50 0.00 0.00 54.79 53.29 2q3s n ASP 205 Cb 0.17 -0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.24 2q3s n ASP 205 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03