#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 1.55 -3.13 7.33 0.00 -1.26 -5.04 120.51 119.96 2q3s n ALA 2 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.51 2q3s n ALA 2 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.06 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 -0.79 -0.08 -1.19 0.00 1.04 -1.26 -5.03 113.70 106.39 2q3s s SER 3 Ca 0.68 -0.94 -0.16 0.00 0.48 0.00 0.00 55.95 56.02 2q3s s SER 3 Cb -0.44 0.57 0.14 0.00 0.10 0.00 0.00 66.02 66.39 2q3s s SER 3 CO 0.52 -1.12 1.47 -0.36 0.98 0.00 0.00 173.24 174.73 2q3s s PHE 4 N -4.02 3.24 -0.69 5.02 0.40 -1.26 -4.87 117.98 115.80 2q3s s PHE 4 Ca 0.23 -1.87 -0.02 0.00 -0.60 0.00 0.00 56.93 54.67 2q3s s PHE 4 Cb -0.00 -4.44 0.42 0.00 0.51 0.00 0.00 43.02 39.51 2q3s s PHE 4 CO 0.09 -1.53 2.04 -0.40 0.70 0.00 0.00 175.22 176.12 2q3s n ASP 5 N 6.57 7.64 -3.13 1.36 5.75 -1.25 -4.61 116.55 128.88 2q3s n ASP 5 Ca 0.38 -3.77 -0.11 0.00 -0.01 0.00 0.00 54.79 51.28 2q3s n ASP 5 Cb 0.45 -1.00 -0.01 0.00 -1.03 0.00 0.00 41.12 39.53 2q3s n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2q3s n GLY 6 N -0.80 3.26 3.63 6.12 0.00 -1.00 -5.03 105.19 111.37 2q3s n GLY 6 Ca 0.60 -2.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 2q3s n GLY 6 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2q3s s PRO 7 N -2.85 0.49 0.09 1.61 0.04 -1.26 -4.49 135.00 128.62 2q3s s PRO 7 Ca 0.08 1.19 0.10 0.00 0.04 0.00 0.00 61.00 62.42 2q3s s PRO 7 Cb -0.01 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 2q3s s PRO 7 CO 0.05 -2.88 -0.27 0.15 0.04 0.00 0.00 177.00 174.10 2q3s s LYS 8 N -4.64 1.59 -0.02 4.56 1.02 -1.26 -2.46 119.74 118.53 2q3s s LYS 8 Ca 0.66 -1.23 0.04 0.00 0.02 0.00 0.00 55.97 55.46 2q3s s LYS 8 Cb -0.22 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 2q3s s LYS 8 CO 0.60 0.48 -0.14 -0.06 -0.92 0.00 0.00 175.35 175.31 2q3s s PHE 9 N -0.94 1.30 0.00 3.18 0.08 -0.57 -4.96 117.98 116.08 2q3s s PHE 9 Ca 0.13 -0.28 -0.00 0.00 0.12 0.00 0.00 56.93 56.89 2q3s s PHE 9 Cb -0.10 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.49 2q3s s PHE 9 CO 0.04 -0.06 0.00 0.36 -0.10 0.00 0.00 175.22 175.46 2q3s n LYS 10 N 2.89 0.10 0.02 0.44 0.00 -1.26 -0.94 118.16 119.41 2q3s n LYS 10 Ca -0.16 -0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.27 2q3s n LYS 10 Cb 0.55 -0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.60 2q3s n LYS 10 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2q3s n THR 12 N -1.90 0.15 -1.30 0.58 -2.24 -1.26 -4.94 114.28 103.36 2q3s n THR 12 Ca 0.00 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 2q3s n THR 12 Cb 0.00 0.25 0.15 0.00 -2.10 0.00 0.00 70.33 68.64 2q3s n THR 12 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2q3s n ASP 13 N -1.91 4.56 -0.05 3.42 5.75 -1.26 -4.90 116.55 122.17 2q3s n ASP 13 Ca 0.02 -3.68 -0.01 0.00 -0.01 0.00 0.00 54.79 51.12 2q3s n ASP 13 Cb 0.42 -0.84 -0.00 0.00 -1.03 0.00 0.00 41.12 39.67 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 -1.08 0.19 4.00 6.12 0.00 -1.26 -4.98 105.19 108.18 2q3s n GLY 14 Ca 0.57 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.04 5.48 0.09 1.61 1.04 -1.26 -5.10 113.70 113.52 2q3s s SER 15 Ca 0.00 -0.54 0.07 0.00 0.48 0.00 0.00 55.95 55.96 2q3s s SER 15 Cb 0.00 -0.45 -0.03 0.00 0.10 0.00 0.00 66.02 65.64 2q3s s SER 15 CO 0.00 -0.87 -0.19 -0.31 0.98 0.00 0.00 173.24 172.85 2q3s s TYR 16 N -2.43 1.65 -0.14 5.02 1.51 -1.26 -4.40 117.35 117.31 2q3s s TYR 16 Ca 0.55 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 56.21 2q3s s TYR 16 Cb -0.08 -0.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.85 2q3s s TYR 16 CO 0.33 0.16 -0.20 0.08 -1.11 0.00 0.00 175.55 174.82 2q3s s VAL 17 N -1.13 2.31 0.83 0.71 1.01 -0.11 -4.77 120.40 119.25 2q3s s VAL 17 Ca 0.05 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 2q3s s VAL 17 Cb -0.10 -1.94 0.11 0.00 0.00 0.00 0.00 36.38 34.46 2q3s s VAL 17 CO 0.03 0.54 1.18 -1.10 0.00 0.00 0.00 175.10 175.75 2q3s s GLN 18 N 0.71 1.60 0.09 2.72 -0.21 0.10 -1.52 119.66 123.15 2q3s s GLN 18 Ca -0.09 -0.19 -0.10 0.00 0.02 0.00 0.00 55.36 55.00 2q3s s GLN 18 Cb -0.16 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 31.87 2q3s s GLN 18 CO 0.01 -1.76 0.22 0.99 -2.12 0.00 0.00 175.29 172.63 2q3s s THR 19 N -3.58 0.13 -0.28 -0.19 2.01 -1.03 -2.74 115.64 109.96 2q3s s THR 19 Ca 0.65 -1.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.41 2q3s s THR 19 Cb -0.08 -1.27 0.10 0.00 0.01 0.00 0.00 72.50 71.26 2q3s s THR 19 CO 0.49 -0.59 0.80 -0.75 -0.69 0.00 0.00 174.62 173.88 2q3s s LYS 20 N -3.70 0.63 0.02 4.92 2.47 -0.10 -2.38 119.74 121.60 2q3s s LYS 20 Ca 0.04 1.00 0.05 0.00 -1.56 0.00 0.00 55.97 55.49 2q3s s LYS 20 Cb 0.04 0.17 -0.02 0.00 -1.46 0.00 0.00 37.83 36.56 2q3s s LYS 20 CO -0.10 -0.12 -0.16 0.99 0.16 0.00 0.00 175.35 176.12 2q3s s THR 21 N 1.25 1.24 -0.08 3.43 2.01 -1.26 -0.57 115.64 121.65 2q3s s THR 21 Ca -0.07 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 2q3s s THR 21 Cb -0.05 -1.08 0.03 0.00 0.01 0.00 0.00 72.50 71.42 2q3s s THR 21 CO -0.14 0.18 0.21 0.27 -0.69 0.00 0.00 174.62 174.44 2q3s s ILE 22 N -0.64 -0.02 -0.15 1.82 -4.36 0.19 -4.90 121.20 113.14 2q3s s ILE 22 Ca 0.04 0.09 -0.19 0.00 -0.26 0.00 0.00 60.65 60.33 2q3s s ILE 22 Cb -0.07 -0.31 -0.04 0.00 1.25 0.00 0.00 42.46 43.29 2q3s s ILE 22 CO 0.01 0.03 0.54 -1.81 0.24 0.00 0.00 174.94 173.95 2q3s s ASP 23 N 0.71 6.67 -0.05 4.36 1.01 -1.26 -1.65 116.67 126.47 2q3s s ASP 23 Ca -0.05 0.81 -0.16 0.00 0.71 0.00 0.00 52.55 53.86 2q3s s ASP 23 Cb -0.06 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 2q3s s ASP 23 CO -0.04 -0.11 0.43 -0.69 0.21 0.00 0.00 175.17 174.97 2q3s s VAL 24 N 1.17 5.09 0.00 -1.27 1.01 0.33 -4.92 120.40 121.79 2q3s s VAL 24 Ca 0.27 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.12 2q3s s VAL 24 Cb -0.16 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2q3s s VAL 24 CO 0.11 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2q3s n GLY 25 N 2.42 4.54 0.10 4.51 0.00 -1.26 -3.86 105.19 111.64 2q3s n GLY 25 Ca -0.11 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.14 2q3s n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2q3s n SER 26 N 0.00 0.84 -0.54 1.61 3.41 -1.26 -4.23 113.62 113.45 2q3s n SER 26 Ca 0.00 0.36 0.06 0.00 -0.26 0.00 0.00 58.87 59.03 2q3s n SER 26 Cb 0.00 0.28 0.06 0.00 -0.26 0.00 0.00 64.21 64.29 2q3s n SER 26 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2q3s n SER 27 N -2.82 2.16 -4.76 4.04 2.88 -1.26 -4.57 113.62 109.30 2q3s n SER 27 Ca -0.07 -1.58 -0.41 0.00 -1.33 0.00 0.00 58.87 55.48 2q3s n SER 27 Cb 0.75 -0.02 -0.01 0.00 -0.75 0.00 0.00 64.21 64.18 2q3s n SER 27 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2q3s s THR 28 N -1.08 2.04 -0.37 2.46 2.01 -1.26 -4.99 115.64 114.45 2q3s s THR 28 Ca 0.16 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 62.15 2q3s s THR 28 Cb 0.11 -3.02 0.08 0.00 0.01 0.00 0.00 72.50 69.67 2q3s s THR 28 CO 0.16 0.01 0.15 -0.62 -0.69 0.00 0.00 174.62 173.63 2q3s s ASP 29 N 0.32 5.26 0.00 3.53 3.68 -1.26 -4.85 116.67 123.35 2q3s s ASP 29 Ca 0.60 -1.59 0.26 0.00 2.13 0.00 0.00 52.55 53.95 2q3s s ASP 29 Cb -0.48 -1.84 0.62 0.00 -1.45 0.00 0.00 42.92 39.77 2q3s s ASP 29 CO 0.53 -0.44 1.48 2.30 0.13 0.00 0.00 175.17 179.17 2q3s n ILE 30 N 4.71 0.00 -0.29 4.11 -5.35 -1.26 -4.39 119.36 116.89 2q3s n ILE 30 Ca -0.08 -0.05 0.13 0.00 -0.27 0.00 0.00 62.75 62.47 2q3s n ILE 30 Cb 0.43 0.31 0.38 0.00 -1.74 0.00 0.00 39.64 39.01 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 0.51 0.66 -0.14 7.28 4.64 -1.91 -1.20 113.55 123.39 2q3s h SER 31 Ca 0.00 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 2q3s h SER 31 Cb 0.50 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2q3s h SER 31 CO 0.00 0.30 -0.03 -0.65 -0.87 0.00 0.00 176.83 175.59 2q3s h PRO 32 N 0.68 0.39 0.04 4.77 0.11 -2.01 -2.01 132.00 133.98 2q3s h PRO 32 Ca 0.48 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 66.39 2q3s h PRO 32 Cb 0.82 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.88 2q3s h PRO 32 CO -0.24 0.44 -0.51 1.88 -0.21 0.00 0.00 178.00 179.36 2q3s h TYR 33 N 0.38 0.44 -0.64 0.65 0.05 -1.54 -2.82 116.97 113.50 2q3s h TYR 33 Ca 0.08 -0.27 0.04 0.00 0.05 0.00 0.00 58.73 58.64 2q3s h TYR 33 Cb 0.30 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 2q3s h TYR 33 CO 0.01 1.12 0.42 -0.07 -1.05 0.00 0.00 178.16 178.59 2q3s h LEU 34 N -0.36 0.63 -0.98 3.88 3.38 -1.42 -0.86 115.31 119.58 2q3s h LEU 34 Ca -0.07 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2q3s h LEU 34 Cb 1.29 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2q3s h LEU 34 CO 0.10 0.43 -0.04 0.28 0.09 0.00 0.00 178.44 179.30 2q3s h SER 35 N 0.73 0.67 0.69 -0.43 0.02 -1.38 0.20 113.55 114.06 2q3s h SER 35 Ca 0.26 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 2q3s h SER 35 Cb 0.11 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2q3s h SER 35 CO -0.07 0.76 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.82 2q3s h LEU 36 N 0.65 0.00 -0.07 5.07 3.38 -0.96 0.61 115.31 124.00 2q3s h LEU 36 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2q3s h LEU 36 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2q3s h LEU 36 CO 0.02 0.49 -0.14 0.40 0.09 0.00 0.00 178.44 179.30 2q3s h ILE 37 N 0.00 1.42 -0.97 1.22 1.08 -0.20 -1.17 117.51 118.89 2q3s h ILE 37 Ca -0.00 -1.46 0.04 0.00 -0.39 0.00 0.00 64.86 63.04 2q3s h ILE 37 Cb 0.97 2.22 -0.06 0.00 -3.07 0.00 0.00 36.82 36.88 2q3s h ILE 37 CO 0.06 0.41 0.63 -0.09 -0.69 0.00 0.00 178.15 178.48 2q3s h ARG 38 N -0.28 1.19 -0.01 2.37 2.43 -0.54 -1.22 114.38 118.32 2q3s h ARG 38 Ca 0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2q3s h ARG 38 Cb 0.73 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2q3s h ARG 38 CO 0.03 0.79 -0.01 1.49 -1.51 0.00 0.00 179.97 180.76 2q3s h GLU 39 N 1.22 0.02 -0.58 0.20 4.81 -0.72 -2.04 114.58 117.50 2q3s h GLU 39 Ca 0.38 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.65 2q3s h GLU 39 Cb 0.00 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2q3s h GLU 39 CO -0.12 0.44 0.31 0.22 -0.73 0.00 0.00 179.01 179.13 2q3s h ASP 40 N -0.39 0.46 -0.37 1.04 3.58 -0.94 -2.16 116.42 117.64 2q3s h ASP 40 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2q3s h ASP 40 Cb 0.43 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2q3s h ASP 40 CO 0.00 0.31 0.24 -1.28 -2.88 0.00 0.00 179.24 175.63 2q3s h SER 41 N 0.59 0.42 0.05 2.28 0.87 -1.23 0.26 113.55 116.79 2q3s h SER 41 Ca 0.25 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 2q3s h SER 41 Cb 0.14 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2q3s h SER 41 CO -0.16 0.31 -0.28 0.40 -0.53 0.00 0.00 176.83 176.57 2q3s h ILE 42 N 0.50 1.27 0.00 2.23 2.04 -0.99 -2.09 117.51 120.46 2q3s h ILE 42 Ca 0.13 -1.28 -0.15 0.00 1.00 0.00 0.00 64.86 64.57 2q3s h ILE 42 Cb -0.05 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2q3s h ILE 42 CO -0.03 0.40 -2.10 0.18 0.00 0.00 0.00 178.15 176.60 2q3s n LEU 43 N -4.11 0.00 0.00 1.44 4.77 -0.85 -4.64 117.00 113.61 2q3s n LEU 43 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2q3s n LEU 43 Cb 0.41 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2q3s n LEU 43 CO 0.41 0.20 -0.22 0.59 -1.33 0.00 0.00 177.39 177.04 2q3s n ASN 44 N -2.43 2.23 -0.48 -1.43 3.02 0.88 -4.85 115.26 112.19 2q3s n ASN 44 Ca -0.15 -0.18 0.07 0.00 -0.03 0.00 0.00 54.58 54.28 2q3s n ASN 44 Cb 0.79 0.81 0.16 0.00 -0.61 0.00 0.00 39.78 40.93 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 1.48 4.56 4.15 7.41 0.00 -0.83 -4.95 105.19 117.00 2q3s n GLY 45 Ca 0.00 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.06 -1.42 -0.01 1.61 5.03 -1.14 -1.45 115.26 116.82 2q3s n ASN 46 Ca 0.16 -1.24 -0.00 0.00 0.87 0.00 0.00 54.58 54.37 2q3s n ASN 46 Cb 0.71 -1.90 -0.00 0.00 -1.02 0.00 0.00 39.78 37.56 2q3s n ASN 46 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2q3s n ARG 47 N -4.72 -2.00 -3.02 3.52 5.12 -0.96 -4.94 116.66 109.68 2q3s n ARG 47 Ca -0.23 0.37 -0.35 0.00 -1.93 0.00 0.00 57.85 55.71 2q3s n ARG 47 Cb 0.64 -4.36 -0.06 0.00 -1.16 0.00 0.00 32.46 27.52 2q3s n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2q3s s ALA 48 N -0.75 3.29 -0.35 7.54 0.00 -0.53 -1.20 121.76 129.77 2q3s s ALA 48 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.19 2q3s s ALA 48 Cb 0.00 -2.91 0.14 0.00 0.00 0.00 0.00 23.12 20.35 2q3s s ALA 48 CO 0.00 0.27 0.27 0.08 0.00 0.00 0.00 175.76 176.38 2q3s s VAL 49 N -1.78 -0.07 0.24 0.00 1.01 0.03 -4.80 120.40 115.03 2q3s s VAL 49 Ca 0.51 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 2q3s s VAL 49 Cb -0.14 -0.94 -0.10 0.00 0.00 0.00 0.00 36.38 35.20 2q3s s VAL 49 CO 0.19 -0.81 1.49 -0.63 0.00 0.00 0.00 175.10 175.34 2q3s s ILE 50 N 1.30 2.54 0.26 2.22 1.09 -1.25 -1.03 121.20 126.32 2q3s s ILE 50 Ca 0.17 0.44 0.02 0.00 -1.10 0.00 0.00 60.65 60.18 2q3s s ILE 50 Cb -0.20 -3.28 -0.04 0.00 -1.06 0.00 0.00 42.46 37.89 2q3s s ILE 50 CO -0.04 0.06 0.18 0.72 -0.10 0.00 0.00 174.94 175.77 2q3s s PHE 51 N 0.20 1.43 0.08 3.97 -0.71 0.34 -3.51 117.98 119.78 2q3s s PHE 51 Ca 0.62 -1.46 -0.26 0.00 -1.04 0.00 0.00 56.93 54.79 2q3s s PHE 51 Cb -0.43 -0.67 0.07 0.00 -1.21 0.00 0.00 43.02 40.78 2q3s s PHE 51 CO 0.42 -0.68 0.65 0.34 -1.34 0.00 0.00 175.22 174.61 2q3s s ASP 52 N -3.27 -0.58 0.33 1.98 3.68 -1.24 -4.25 116.67 113.32 2q3s s ASP 52 Ca 0.39 0.24 0.03 0.00 2.13 0.00 0.00 52.55 55.34 2q3s s ASP 52 Cb 0.05 0.56 -0.05 0.00 -1.45 0.00 0.00 42.92 42.03 2q3s s ASP 52 CO 0.18 -0.82 0.08 0.68 0.13 0.00 0.00 175.17 175.42 2q3s s VAL 53 N -2.83 0.92 -0.07 1.11 -7.23 -1.26 -3.16 120.40 107.88 2q3s s VAL 53 Ca -0.03 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.10 2q3s s VAL 53 Cb -0.01 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.30 2q3s s VAL 53 CO -0.05 0.00 0.16 -0.31 -0.31 0.00 0.00 175.10 174.59 2q3s s TYR 54 N -3.37 -0.19 0.04 2.82 1.51 -0.74 -4.97 117.35 112.45 2q3s s TYR 54 Ca 0.34 0.48 0.08 0.00 -1.01 0.00 0.00 57.07 56.96 2q3s s TYR 54 Cb 0.07 0.01 -0.03 0.00 -0.11 0.00 0.00 41.96 41.90 2q3s s TYR 54 CO 0.15 -0.13 -0.23 -1.58 -1.11 0.00 0.00 175.55 172.65 2q3s s TRP 55 N 0.58 1.99 -0.32 2.71 0.52 -1.26 -1.27 118.94 121.89 2q3s s TRP 55 Ca -0.04 -0.39 -0.18 0.00 0.02 0.00 0.00 56.10 55.51 2q3s s TRP 55 Cb -0.06 -1.19 -0.01 0.00 -1.15 0.00 0.00 33.47 31.06 2q3s s TRP 55 CO -0.03 0.10 0.53 0.34 0.02 0.00 0.00 176.95 177.90 2q3s s ASP 56 N -1.16 6.36 0.80 2.95 2.15 0.32 -4.72 116.67 123.37 2q3s s ASP 56 Ca 0.09 0.17 -0.11 0.00 0.43 0.00 0.00 52.55 53.13 2q3s s ASP 56 Cb -0.09 -2.28 0.07 0.00 -0.30 0.00 0.00 42.92 40.32 2q3s s ASP 56 CO 0.02 -0.43 1.09 0.68 -0.17 0.00 0.00 175.17 176.36 2q3s s VAL 57 N 2.40 3.19 0.00 1.11 -7.23 -1.26 -2.16 120.40 116.45 2q3s s VAL 57 Ca 0.20 0.39 0.00 0.00 -1.81 0.00 0.00 61.98 60.76 2q3s s VAL 57 Cb -0.15 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.92 2q3s s VAL 57 CO 0.12 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 175.02 2q3s n GLY 58 N -1.20 2.25 3.82 2.32 0.00 -1.26 -4.81 105.19 106.32 2q3s n GLY 58 Ca 0.09 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 2q3s n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q3s s PHE 59 N -2.00 3.43 0.00 1.61 0.40 -1.26 -2.97 117.98 117.19 2q3s s PHE 59 Ca 0.00 0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.68 2q3s s PHE 59 Cb 0.00 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.70 2q3s s PHE 59 CO 0.00 0.62 0.00 0.25 0.70 0.00 0.00 175.22 176.79 2q3s n THR 66 N 1.57 0.00 -0.08 0.64 -2.24 -1.26 -4.19 114.28 108.72 2q3s n THR 66 Ca -0.16 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 2q3s n THR 66 Cb 0.54 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 2q3s n THR 66 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2q3s h LYS 67 N 0.00 0.39 0.00 -0.78 1.79 -2.05 -2.62 116.57 113.31 2q3s h LYS 67 Ca 0.00 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2q3s h LYS 67 Cb 0.00 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2q3s h LYS 67 CO 0.00 0.54 0.00 0.25 -1.08 0.00 0.00 179.45 179.16 2q3s n THR 68 N -4.69 0.10 0.15 -0.16 -2.24 -1.26 -3.87 114.28 102.30 2q3s n THR 68 Ca -0.04 0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 2q3s n THR 68 Cb 0.21 -0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 67.81 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 -0.79 0.00 3.42 4.64 -1.70 -1.28 113.55 117.85 2q3s h SER 69 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2q3s h SER 69 Cb 0.22 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2q3s h SER 69 CO 0.00 -0.36 0.19 0.61 -0.87 0.00 0.00 176.83 176.40 2q3s n GLY 70 N -1.30 -0.18 3.70 -0.77 0.00 -1.24 -4.62 105.19 100.77 2q3s n GLY 70 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.22 2.54 -0.03 1.61 0.52 -0.48 -4.32 118.94 116.56 2q3s s TRP 71 Ca 0.00 0.37 0.04 0.00 0.02 0.00 0.00 56.10 56.53 2q3s s TRP 71 Cb 0.00 -3.97 -0.00 0.00 -1.15 0.00 0.00 33.47 28.35 2q3s s TRP 71 CO 0.00 -3.82 -0.14 0.45 0.02 0.00 0.00 176.95 173.46 2q3s s SER 72 N 2.16 1.69 -0.51 2.95 0.15 -0.92 -4.88 113.70 114.34 2q3s s SER 72 Ca 0.73 -0.27 -0.27 0.00 0.70 0.00 0.00 55.95 56.85 2q3s s SER 72 Cb -0.41 -0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 63.50 2q3s s SER 72 CO 0.32 0.13 2.04 -0.22 1.20 0.00 0.00 173.24 176.71 2q3s s LEU 73 N -0.05 3.37 0.09 3.45 2.96 -1.26 -0.52 118.68 126.71 2q3s s LEU 73 Ca -0.00 0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 54.66 2q3s s LEU 73 Cb -0.08 -2.73 -0.23 0.00 0.50 0.00 0.00 46.19 43.65 2q3s s LEU 73 CO 0.01 -2.41 1.19 0.77 -1.32 0.00 0.00 176.35 174.59 2q3s h SER 74 N 16.05 0.45 -5.03 3.68 4.64 -1.75 -3.42 113.55 128.17 2q3s h SER 74 Ca -0.27 -0.45 -0.11 0.00 -0.47 0.00 0.00 61.79 60.49 2q3s h SER 74 Cb 1.20 -0.14 -0.19 0.00 -0.31 0.00 0.00 62.40 62.96 2q3s h SER 74 CO 1.16 1.32 -0.33 -0.44 -0.87 0.00 0.00 176.83 177.66 2q3s s SER 75 N -7.13 -0.08 -0.17 4.97 0.01 -0.40 0.15 113.70 111.04 2q3s s SER 75 Ca -0.04 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.07 2q3s s SER 75 Cb 0.08 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.64 2q3s s SER 75 CO 0.88 -0.51 -0.13 -0.69 0.41 0.00 0.00 173.24 173.20 2q3s s VAL 76 N -1.97 1.68 -0.19 3.43 1.01 0.44 -1.79 120.40 123.01 2q3s s VAL 76 Ca -0.09 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 2q3s s VAL 76 Cb -0.03 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2q3s s VAL 76 CO -0.00 0.35 0.02 -0.75 0.00 0.00 0.00 175.10 174.71 2q3s s LYS 77 N 1.42 3.72 -0.09 2.72 2.20 -1.19 0.24 119.74 128.75 2q3s s LYS 77 Ca 0.02 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.18 2q3s s LYS 77 Cb -0.14 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.08 2q3s s LYS 77 CO -0.10 0.09 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.34 2q3s s LEU 78 N 0.81 1.64 0.19 5.43 1.43 0.33 -3.63 118.68 124.88 2q3s s LEU 78 Ca 0.01 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 2q3s s LEU 78 Cb -0.14 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 2q3s s LEU 78 CO 0.02 0.01 -0.07 -0.44 0.23 0.00 0.00 176.35 176.11 2q3s s SER 79 N 0.93 1.95 0.22 2.29 0.01 -1.23 0.23 113.70 118.10 2q3s s SER 79 Ca -0.09 -1.10 0.01 0.00 1.31 0.00 0.00 55.95 56.08 2q3s s SER 79 Cb -0.15 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 2q3s s SER 79 CO 0.00 -0.39 0.06 0.42 0.41 0.00 0.00 173.24 173.74 2q3s s THR 80 N -3.31 0.59 0.31 1.44 -4.23 0.13 -3.95 115.64 106.62 2q3s s THR 80 Ca 0.23 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.82 2q3s s THR 80 Cb 0.03 -2.41 0.31 0.00 1.34 0.00 0.00 72.50 71.77 2q3s s THR 80 CO 0.05 -0.20 1.69 -0.09 -0.54 0.00 0.00 174.62 175.53 2q3s h ARG 81 N 2.52 0.41 0.00 3.99 1.12 -1.92 -2.12 114.38 118.37 2q3s h ARG 81 Ca -0.37 -0.02 -0.12 0.00 -1.11 0.00 0.00 59.98 58.35 2q3s h ARG 81 Cb 1.23 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 31.08 2q3s h ARG 81 CO 0.61 0.27 -1.44 0.09 -3.11 0.00 0.00 179.97 176.39 2q3s n ASN 82 N -5.02 0.71 -4.33 -3.80 3.02 -1.26 -4.73 115.26 99.86 2q3s n ASN 82 Ca 0.26 0.30 -0.17 0.00 -0.03 0.00 0.00 54.58 54.94 2q3s n ASN 82 Cb 0.77 0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 40.31 2q3s n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2q3s s LEU 83 N -5.53 2.20 -0.21 3.41 1.43 -0.80 0.03 118.68 119.20 2q3s s LEU 83 Ca -0.03 -1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 51.81 2q3s s LEU 83 Cb 0.09 -0.27 0.10 0.00 0.03 0.00 0.00 46.19 46.14 2q3s s LEU 83 CO 0.82 -0.51 0.26 0.00 0.23 0.00 0.00 176.35 177.15 2q3s s LEU 85 N 2.38 4.17 -0.20 0.00 2.96 0.64 -0.92 118.68 127.71 2q3s s LEU 85 Ca 0.08 0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2q3s s LEU 85 Cb -0.16 -2.12 0.01 0.00 0.50 0.00 0.00 46.19 44.42 2q3s s LEU 85 CO -0.13 0.12 -0.14 0.12 -1.32 0.00 0.00 176.35 175.00 2q3s s PHE 86 N 0.68 2.86 -0.39 5.38 2.19 0.26 0.12 117.98 129.08 2q3s s PHE 86 Ca 0.08 -1.38 -0.01 0.00 0.33 0.00 0.00 56.93 55.95 2q3s s PHE 86 Cb -0.12 -1.99 0.11 0.00 -1.31 0.00 0.00 43.02 39.70 2q3s s PHE 86 CO 0.01 -0.71 0.15 -0.51 1.83 0.00 0.00 175.22 176.00 2q3s s LEU 87 N 1.36 5.08 0.02 6.12 1.43 0.66 0.56 118.68 133.91 2q3s s LEU 87 Ca 0.05 -2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 50.80 2q3s s LEU 87 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2q3s s LEU 87 CO -0.09 -0.49 0.98 -0.13 0.23 0.00 0.00 176.35 176.85 2q3s s ARG 88 N 1.07 4.58 0.21 1.70 0.52 -0.66 0.17 118.95 126.54 2q3s s ARG 88 Ca 0.09 1.43 0.08 0.00 -0.52 0.00 0.00 55.73 56.81 2q3s s ARG 88 Cb -0.22 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 2q3s s ARG 88 CO -0.05 -0.01 0.01 -0.51 0.02 0.00 0.00 175.30 174.77 2q3s s LEU 89 N 0.83 3.32 0.58 2.53 1.43 0.40 -0.52 118.68 127.24 2q3s s LEU 89 Ca 0.51 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2q3s s LEU 89 Cb -0.22 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.09 2q3s s LEU 89 CO 0.28 0.05 0.86 -2.16 0.23 0.00 0.00 176.35 175.62 2q3s s PRO 90 N -3.22 2.78 -0.15 1.29 0.04 -1.25 -4.74 135.00 129.76 2q3s s PRO 90 Ca 0.29 -0.23 -0.00 0.00 0.04 0.00 0.00 61.00 61.09 2q3s s PRO 90 Cb -0.08 -2.34 0.04 0.00 0.04 0.00 0.00 34.50 32.16 2q3s s PRO 90 CO 0.19 -0.71 -0.06 0.21 0.04 0.00 0.00 177.00 176.67 2q3s s LYS 91 N -4.92 1.50 0.71 4.56 2.20 -1.26 -3.82 119.74 118.71 2q3s s LYS 91 Ca 0.54 -0.46 -0.08 0.00 -0.36 0.00 0.00 55.97 55.61 2q3s s LYS 91 Cb -0.10 -1.91 0.05 0.00 -1.51 0.00 0.00 37.83 34.36 2q3s s LYS 91 CO 0.43 -0.38 1.04 -1.25 -0.36 0.00 0.00 175.35 174.83 2q3s s PRO 92 N 1.64 2.32 0.85 4.03 0.04 -1.26 -5.14 135.00 137.48 2q3s s PRO 92 Ca 0.02 -0.08 -0.11 0.00 0.04 0.00 0.00 61.00 60.87 2q3s s PRO 92 Cb -0.14 -2.13 0.10 0.00 0.04 0.00 0.00 34.50 32.37 2q3s s PRO 92 CO -0.08 -1.22 1.09 -0.06 0.04 0.00 0.00 177.00 176.78 2q3s s PHE 93 N -3.29 2.43 0.40 0.56 0.08 -1.25 -5.07 117.98 111.84 2q3s s PHE 93 Ca 0.59 1.32 0.07 0.00 0.12 0.00 0.00 56.93 59.04 2q3s s PHE 93 Cb -0.11 -3.13 -0.07 0.00 -0.57 0.00 0.00 43.02 39.14 2q3s s PHE 93 CO 0.46 -2.18 0.02 -1.01 -0.10 0.00 0.00 175.22 172.41 2q3s s HIS 94 N -2.95 2.52 0.58 0.36 3.76 -1.26 -5.03 115.29 113.27 2q3s s HIS 94 Ca 0.63 -0.62 0.27 0.00 -0.15 0.00 0.00 55.06 55.18 2q3s s HIS 94 Cb -0.17 -1.74 1.62 0.00 1.11 0.00 0.00 32.58 33.40 2q3s s HIS 94 CO 0.56 0.43 2.13 -0.44 -0.85 0.00 0.00 174.74 176.58 2q3s h ASP 95 N 1.76 0.00 0.38 1.40 3.45 -1.97 -1.69 116.42 119.75 2q3s h ASP 95 Ca -0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.03 2q3s h ASP 95 Cb 1.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 2q3s h ASP 95 CO 0.77 0.00 0.00 -0.46 -1.57 0.00 0.00 179.24 177.98 2q3s n ASN 96 N -3.96 0.63 -0.15 6.45 2.04 -1.26 -1.96 115.26 117.05 2q3s n ASN 96 Ca 0.01 0.72 0.15 0.00 -0.44 0.00 0.00 54.58 55.01 2q3s n ASN 96 Cb 0.26 -0.83 0.70 0.00 -2.53 0.00 0.00 39.78 37.38 2q3s n ASN 96 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2q3s n LEU 97 N -2.27 0.51 -0.29 -4.53 4.77 -0.63 -3.58 117.00 110.97 2q3s n LEU 97 Ca 0.00 -0.08 0.26 0.00 -0.03 0.00 0.00 56.01 56.17 2q3s n LEU 97 Cb 0.13 -0.10 0.60 0.00 -2.33 0.00 0.00 43.42 41.72 2q3s n LEU 97 CO 0.15 0.09 1.25 0.50 -1.33 0.00 0.00 177.39 178.05 2q3s h LYS 98 N 0.72 0.24 -0.01 3.23 1.63 -1.60 0.59 116.57 121.37 2q3s h LYS 98 Ca 0.00 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 2q3s h LYS 98 Cb 0.28 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2q3s h LYS 98 CO 0.00 0.16 -0.28 -0.44 -3.45 0.00 0.00 179.45 175.44 2q3s h ASP 99 N 0.24 0.01 -0.27 4.20 3.32 -1.81 -1.12 116.42 121.00 2q3s h ASP 99 Ca 0.55 -0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.40 2q3s h ASP 99 Cb 1.69 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.24 2q3s h ASP 99 CO -0.17 0.29 -0.59 0.25 -1.72 0.00 0.00 179.24 177.30 2q3s h LEU 100 N 0.01 0.98 -0.25 1.55 5.85 -0.10 0.14 115.31 123.49 2q3s h LEU 100 Ca -0.00 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.18 2q3s h LEU 100 Cb 0.50 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2q3s h LEU 100 CO 0.04 1.35 0.15 1.88 -0.34 0.00 0.00 178.44 181.52 2q3s h TYR 101 N 0.66 0.28 -0.65 1.25 -1.99 -0.96 -0.51 116.97 115.05 2q3s h TYR 101 Ca 0.00 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.66 2q3s h TYR 101 Cb 1.20 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.82 2q3s h TYR 101 CO 0.08 0.17 0.08 0.00 -0.00 0.00 0.00 178.16 178.49 2q3s h ARG 102 N 0.31 1.10 0.54 4.88 3.08 -1.17 -1.42 114.38 121.70 2q3s h ARG 102 Ca 0.10 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 2q3s h ARG 102 Cb -0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2q3s h ARG 102 CO -0.04 1.02 -0.46 0.35 -1.07 0.00 0.00 179.97 179.77 2q3s h PHE 103 N 1.02 -1.25 0.00 3.04 3.57 -0.52 -2.00 116.94 120.80 2q3s h PHE 103 Ca 0.20 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2q3s h PHE 103 Cb 0.47 0.48 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 2q3s h PHE 103 CO 0.03 -0.64 -0.03 0.74 -2.23 0.00 0.00 178.31 176.18 2q3s h PHE 104 N -0.99 0.00 0.00 0.41 0.05 -1.02 -1.98 116.94 113.40 2q3s h PHE 104 Ca -0.06 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.73 2q3s h PHE 104 Cb 0.84 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.79 2q3s h PHE 104 CO -0.20 0.03 -0.06 0.00 -0.18 0.00 0.00 178.31 177.90 2q3s h ALA 105 N 1.97 0.97 -2.29 2.45 0.00 -0.86 -3.27 119.26 118.22 2q3s h ALA 105 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2q3s h ALA 105 Cb 0.08 0.00 0.12 0.00 0.00 0.00 0.00 17.79 17.99 2q3s h ALA 105 CO 0.00 0.00 0.27 0.45 0.00 0.00 0.00 179.25 179.97 2q3s n SER 106 N -2.99 1.78 -0.80 0.00 2.88 -0.75 -4.21 113.62 109.53 2q3s n SER 106 Ca 0.04 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.80 2q3s n SER 106 Cb 0.52 -1.37 0.23 0.00 -0.75 0.00 0.00 64.21 62.83 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 0.49 2.89 0.12 -1.46 5.02 -1.26 -4.43 118.16 119.53 2q3s n LYS 107 Ca 0.08 -2.61 -0.02 0.00 -2.02 0.00 0.00 58.31 53.74 2q3s n LYS 107 Cb 0.35 -1.67 0.10 0.00 -0.02 0.00 0.00 35.03 33.79 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 1.82 0.00 -3.70 2.13 0.05 -1.95 -3.46 116.94 111.83 2q3s h PHE 108 Ca 0.00 0.00 -0.33 0.00 3.82 0.00 0.00 57.97 61.46 2q3s h PHE 108 Cb 1.23 0.00 -0.14 0.00 2.00 0.00 0.00 35.95 39.04 2q3s h PHE 108 CO 0.41 0.71 -0.64 0.14 -0.18 0.00 0.00 178.31 178.75 2q3s s VAL 109 N -3.34 0.66 -0.15 -0.55 -7.23 -1.26 -4.90 120.40 103.62 2q3s s VAL 109 Ca -0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 2q3s s VAL 109 Cb 0.12 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2q3s s VAL 109 CO 0.77 -0.20 0.08 -0.89 -0.31 0.00 0.00 175.10 174.56 2q3s s THR 110 N -3.68 4.98 -0.31 5.32 2.01 -0.34 -4.78 115.64 118.85 2q3s s THR 110 Ca 0.32 0.02 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 2q3s s THR 110 Cb 0.07 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 2q3s s THR 110 CO 0.10 0.52 0.44 -0.36 -0.69 0.00 0.00 174.62 174.64 2q3s s PHE 111 N -0.21 3.22 -0.28 4.92 0.08 0.15 -0.79 117.98 125.07 2q3s s PHE 111 Ca 0.09 0.31 -0.01 0.00 0.12 0.00 0.00 56.93 57.43 2q3s s PHE 111 Cb -0.12 -2.73 0.04 0.00 -0.57 0.00 0.00 43.02 39.64 2q3s s PHE 111 CO 0.01 -0.38 -0.03 0.08 -0.10 0.00 0.00 175.22 174.81 2q3s s VAL 112 N 2.22 2.89 0.40 -0.44 1.01 -0.20 0.56 120.40 126.83 2q3s s VAL 112 Ca 0.17 -1.31 0.03 0.00 0.00 0.00 0.00 61.98 60.87 2q3s s VAL 112 Cb -0.16 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2q3s s VAL 112 CO 0.11 -0.02 0.08 -0.83 0.00 0.00 0.00 175.10 174.45 2q3s s GLY 113 N 1.26 2.49 -0.10 4.51 0.00 0.09 0.12 107.32 115.70 2q3s s GLY 113 Ca -0.04 -1.41 0.04 0.00 0.00 0.00 0.00 44.72 43.30 2q3s s GLY 113 CO -0.02 -1.89 -0.22 0.14 0.00 0.00 0.00 173.10 171.11 2q3s s VAL 114 N -3.17 2.24 -1.24 1.40 1.01 -1.26 0.94 120.40 120.32 2q3s s VAL 114 Ca 0.26 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 2q3s s VAL 114 Cb 0.05 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.58 2q3s s VAL 114 CO 0.13 0.56 0.63 0.00 0.00 0.00 0.00 175.10 176.42 2q3s n GLN 115 N 3.40 -1.22 -0.02 2.72 1.13 -1.26 -4.92 117.38 117.20 2q3s n GLN 115 Ca -0.19 0.29 0.08 0.00 -1.94 0.00 0.00 57.00 55.25 2q3s n GLN 115 Cb 0.53 -3.61 0.08 0.00 0.11 0.00 0.00 30.24 27.35 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 -4.55 0.09 0.01 5.09 -5.35 -1.26 -4.69 119.36 108.70 2q3s n ILE 116 Ca -0.15 -0.54 -0.10 0.00 -0.27 0.00 0.00 62.75 61.69 2q3s n ILE 116 Cb 0.61 1.28 -0.03 0.00 -1.74 0.00 0.00 39.64 39.75 2q3s n ILE 116 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2q3s h GLU 117 N 3.31 -0.27 -0.52 6.28 4.81 -1.99 -0.97 114.58 125.24 2q3s h GLU 117 Ca 0.00 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2q3s h GLU 117 Cb 0.72 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2q3s h GLU 117 CO 0.00 -0.18 -0.04 0.93 -0.73 0.00 0.00 179.01 178.99 2q3s h GLU 118 N -0.28 0.94 -0.27 1.92 4.39 -2.01 -2.78 114.58 116.50 2q3s h GLU 118 Ca 0.09 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 2q3s h GLU 118 Cb 0.41 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2q3s h GLU 118 CO -0.26 0.98 0.13 -0.44 -1.16 0.00 0.00 179.01 178.26 2q3s h ASP 119 N 0.81 0.33 -0.29 1.42 3.32 -1.76 -0.71 116.42 119.54 2q3s h ASP 119 Ca 0.14 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2q3s h ASP 119 Cb 0.58 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2q3s h ASP 119 CO 0.03 0.28 0.01 -0.07 -1.72 0.00 0.00 179.24 177.78 2q3s h LEU 120 N 0.37 0.49 -0.41 1.55 3.38 -0.97 0.99 115.31 120.72 2q3s h LEU 120 Ca 0.10 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2q3s h LEU 120 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2q3s h LEU 120 CO -0.01 0.67 0.04 0.44 0.09 0.00 0.00 178.44 179.67 2q3s h ASP 121 N 0.30 0.67 -0.47 -0.43 3.32 -1.23 0.96 116.42 119.54 2q3s h ASP 121 Ca 0.08 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.87 2q3s h ASP 121 Cb 0.41 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2q3s h ASP 121 CO 0.01 0.78 0.29 -0.07 -1.72 0.00 0.00 179.24 178.53 2q3s h LEU 122 N 0.53 0.49 -0.65 1.55 3.38 -0.84 0.41 115.31 120.18 2q3s h LEU 122 Ca 0.12 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2q3s h LEU 122 Cb 0.41 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2q3s h LEU 122 CO 0.01 0.35 0.24 -0.07 0.09 0.00 0.00 178.44 179.06 2q3s h LEU 123 N 0.59 0.93 0.47 1.67 3.38 0.13 0.11 115.31 122.58 2q3s h LEU 123 Ca 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2q3s h LEU 123 Cb -0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2q3s h LEU 123 CO -0.06 0.86 -0.25 -0.09 0.09 0.00 0.00 178.44 178.99 2q3s h ARG 124 N 0.93 -0.65 -0.29 1.13 2.43 -0.12 0.17 114.38 117.98 2q3s h ARG 124 Ca 0.21 0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.29 2q3s h ARG 124 Cb 0.25 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2q3s h ARG 124 CO -0.01 -0.43 -0.40 0.93 -1.51 0.00 0.00 179.97 178.54 2q3s h GLU 125 N -0.67 0.69 0.00 0.20 5.08 -0.02 0.16 114.58 120.01 2q3s h GLU 125 Ca -0.06 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2q3s h GLU 125 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2q3s h GLU 125 CO 0.08 0.97 -1.18 0.09 -1.00 0.00 0.00 179.01 177.97 2q3s n ASN 126 N -4.04 0.77 0.00 1.42 4.13 0.35 -4.60 115.26 113.29 2q3s n ASN 126 Ca -0.02 -0.74 0.00 0.00 1.68 0.00 0.00 54.58 55.50 2q3s n ASN 126 Cb 0.53 1.15 0.00 0.00 -1.54 0.00 0.00 39.78 39.92 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 -1.67 0.00 -2.03 3.10 8.25 -0.88 -5.01 115.22 116.98 2q3s n HIS 127 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.38 2q3s n HIS 127 Cb 0.38 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.48 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 0.03 0.17 3.69 -1.41 0.00 0.55 -4.97 105.19 103.25 2q3s n GLY 128 Ca 0.00 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.99 4.25 -0.15 0.99 0.20 0.42 -4.87 118.68 116.54 2q3s s LEU 129 Ca 0.00 1.30 0.02 0.00 0.69 0.00 0.00 54.13 56.14 2q3s s LEU 129 Cb 0.00 -3.29 0.01 0.00 -0.43 0.00 0.00 46.19 42.48 2q3s s LEU 129 CO 0.00 -0.31 -0.21 -0.69 -0.29 0.00 0.00 176.35 174.85 2q3s s VAL 130 N 1.61 2.07 -0.41 1.68 1.01 -1.26 -2.67 120.40 122.43 2q3s s VAL 130 Ca 0.41 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 2q3s s VAL 130 Cb -0.18 -1.84 0.09 0.00 0.00 0.00 0.00 36.38 34.46 2q3s s VAL 130 CO 0.17 0.55 0.24 -0.63 0.00 0.00 0.00 175.10 175.42 2q3s s ILE 131 N 0.93 3.87 0.32 2.22 1.01 -1.26 -3.43 121.20 124.85 2q3s s ILE 131 Ca -0.04 -1.63 0.08 0.00 0.00 0.00 0.00 60.65 59.06 2q3s s ILE 131 Cb -0.15 -3.45 0.05 0.00 0.01 0.00 0.00 42.46 38.92 2q3s s ILE 131 CO -0.05 -0.56 1.74 0.03 0.00 0.00 0.00 174.94 176.10 2q3s h ARG 132 N 8.29 0.17 -2.71 2.79 3.08 -1.73 -3.34 114.38 120.93 2q3s h ARG 132 Ca -0.20 -0.08 -0.61 0.00 0.07 0.00 0.00 59.98 59.16 2q3s h ARG 132 Cb 1.07 -0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.70 2q3s h ARG 132 CO 0.74 0.55 -0.60 -1.71 -1.07 0.00 0.00 179.97 177.88 2q3s n ASN 133 N -4.04 3.16 -4.26 7.04 4.05 -1.26 -5.07 115.26 114.87 2q3s n ASN 133 Ca -0.01 -3.27 -0.33 0.00 0.45 0.00 0.00 54.58 51.42 2q3s n ASN 133 Cb 0.46 -0.72 -0.16 0.00 1.23 0.00 0.00 39.78 40.59 2q3s n ASN 133 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2q3s s ALA 134 N -1.81 2.38 -0.09 5.20 0.00 -1.25 0.33 121.76 126.52 2q3s s ALA 134 Ca 0.31 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2q3s s ALA 134 Cb 0.04 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 2q3s s ALA 134 CO -0.11 0.15 -0.23 -1.50 0.00 0.00 0.00 175.76 174.07 2q3s s ILE 135 N 0.53 1.99 -0.90 0.00 1.10 0.19 -4.98 121.20 119.14 2q3s s ILE 135 Ca -0.12 -0.99 -0.18 0.00 -0.51 0.00 0.00 60.65 58.85 2q3s s ILE 135 Cb -0.16 -1.72 0.14 0.00 0.15 0.00 0.00 42.46 40.86 2q3s s ILE 135 CO 0.04 0.55 1.06 0.21 -2.11 0.00 0.00 174.94 174.69 2q3s s ASN 136 N 0.30 6.63 0.58 4.50 2.47 -1.26 -0.73 114.94 127.44 2q3s s ASN 136 Ca -0.17 -2.11 0.35 0.00 0.42 0.00 0.00 52.86 51.35 2q3s s ASN 136 Cb -0.17 -2.37 1.91 0.00 -1.45 0.00 0.00 41.25 39.16 2q3s s ASN 136 CO 0.08 -1.00 2.07 1.62 -3.72 0.00 0.00 177.10 176.15 2q3s h VAL 137 N 5.68 0.00 0.00 -5.21 3.04 0.21 -1.06 116.25 118.91 2q3s h VAL 137 Ca 0.13 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.78 2q3s h VAL 137 Cb 1.03 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 2q3s h VAL 137 CO 1.06 0.00 -0.19 1.23 -1.01 0.00 0.00 177.57 178.65 2q3s h GLY 138 N 0.00 0.00 1.57 3.17 0.00 -1.81 0.14 103.07 106.15 2q3s h GLY 138 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2q3s h GLY 138 CO 0.00 0.00 -0.47 1.70 0.00 0.00 0.00 176.54 177.77 2q3s h LYS 139 N 0.00 0.46 0.00 4.80 1.63 -1.49 -1.32 116.57 120.66 2q3s h LYS 139 Ca -0.00 -0.26 -0.22 0.00 -0.85 0.00 0.00 60.65 59.32 2q3s h LYS 139 Cb 0.38 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2q3s h LYS 139 CO 0.02 0.84 -0.93 1.25 -3.45 0.00 0.00 179.45 177.18 2q3s h LEU 140 N 0.37 0.44 -0.42 5.20 5.85 -1.34 -2.20 115.31 123.22 2q3s h LEU 140 Ca 0.02 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.42 2q3s h LEU 140 Cb 0.97 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2q3s h LEU 140 CO 0.08 1.16 0.21 0.00 -0.34 0.00 0.00 178.44 179.55 2q3s h ALA 141 N 0.81 0.52 0.00 1.25 0.00 -0.53 0.30 119.26 121.61 2q3s h ALA 141 Ca -0.07 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2q3s h ALA 141 Cb 1.56 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2q3s h ALA 141 CO 0.15 -0.15 -0.29 0.00 0.00 0.00 0.00 179.25 178.96 2q3s h ALA 142 N 1.22 1.44 0.00 0.00 0.00 -1.20 -1.92 119.26 118.80 2q3s h ALA 142 Ca 0.18 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 2q3s h ALA 142 Cb 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2q3s h ALA 142 CO -0.13 0.37 -1.53 0.39 0.00 0.00 0.00 179.25 178.35 2q3s n GLU 143 N -4.08 0.63 -0.01 0.00 1.02 -0.83 -3.50 120.64 113.87 2q3s n GLU 143 Ca -0.02 0.20 -0.01 0.00 -0.02 0.00 0.00 57.16 57.31 2q3s n GLU 143 Cb 0.35 -1.78 -0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2q3s n GLU 143 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2q3s n ALA 144 N -2.43 0.08 0.62 0.62 0.00 0.10 -4.02 120.51 115.49 2q3s n ALA 144 Ca -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2q3s n ALA 144 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 2q3s n ALA 144 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2q3s n ARG 145 N -2.64 0.62 -3.29 0.00 0.63 -0.74 -4.80 116.66 106.44 2q3s n ARG 145 Ca -0.01 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.80 2q3s n ARG 145 Cb 0.05 -1.22 -0.02 0.00 0.45 0.00 0.00 32.46 31.71 2q3s n ARG 145 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2q3s n GLY 146 N 0.55 -0.10 2.78 5.14 0.00 -1.24 -4.91 105.19 107.42 2q3s n GLY 146 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2q3s n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q3s s THR 147 N -3.72 1.22 0.06 2.61 2.01 -1.23 -5.03 115.64 111.56 2q3s s THR 147 Ca 0.04 -1.76 -0.08 0.00 0.31 0.00 0.00 61.69 60.20 2q3s s THR 147 Cb -0.02 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.59 2q3s s THR 147 CO 0.33 -0.70 0.48 0.18 -0.69 0.00 0.00 174.62 174.23 2q3s n LEU 148 N 4.53 -0.29 0.27 4.42 4.77 -1.26 -1.80 117.00 127.64 2q3s n LEU 148 Ca 0.01 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 2q3s n LEU 148 Cb 0.41 -0.09 0.75 0.00 -2.33 0.00 0.00 43.42 42.16 2q3s n LEU 148 CO 0.15 -0.46 1.01 1.62 -1.33 0.00 0.00 177.39 178.38 2q3s h VAL 149 N 0.00 0.62 -0.61 4.08 3.04 -1.97 -3.25 116.25 118.16 2q3s h VAL 149 Ca 0.07 -0.40 0.14 0.00 -1.01 0.00 0.00 66.70 65.49 2q3s h VAL 149 Cb 0.14 1.25 -0.03 0.00 -2.01 0.00 0.00 31.29 30.64 2q3s h VAL 149 CO -0.30 0.09 0.42 -0.07 -1.01 0.00 0.00 177.57 176.70 2q3s h LEU 150 N 0.00 0.20 -0.87 3.16 3.38 -1.68 0.15 115.31 119.65 2q3s h LEU 150 Ca -0.00 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2q3s h LEU 150 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2q3s h LEU 150 CO 0.01 0.11 -0.40 -0.08 0.09 0.00 0.00 178.44 178.17 2q3s h GLU 151 N 0.22 0.00 -0.42 1.13 4.81 -1.58 -3.13 114.58 115.60 2q3s h GLU 151 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2q3s h GLU 151 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2q3s h GLU 151 CO -0.06 0.40 0.00 1.19 -0.73 0.00 0.00 179.01 179.81 2q3s n PHE 152 N -3.53 1.53 -4.15 0.92 3.72 0.46 -4.78 117.46 111.62 2q3s n PHE 152 Ca -0.00 -0.80 -0.30 0.00 -0.05 0.00 0.00 57.45 56.29 2q3s n PHE 152 Cb 0.53 -0.42 -0.08 0.00 -0.94 0.00 0.00 39.48 38.57 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 -2.81 3.38 1.12 4.37 1.43 -0.84 -5.07 118.68 120.27 2q3s s LEU 153 Ca 0.49 -0.23 -0.18 0.00 -1.03 0.00 0.00 54.13 53.18 2q3s s LEU 153 Cb 0.38 -2.12 0.26 0.00 0.03 0.00 0.00 46.19 44.74 2q3s s LEU 153 CO 0.12 0.17 1.19 -0.83 0.23 0.00 0.00 176.35 177.23 2q3s s GLY 154 N -2.32 1.65 0.11 -3.19 0.00 -1.26 -4.72 107.32 97.60 2q3s s GLY 154 Ca 0.25 -1.05 -0.29 0.00 0.00 0.00 0.00 44.72 43.63 2q3s s GLY 154 CO 0.17 -0.20 1.61 -0.84 0.00 0.00 0.00 173.10 173.85 2q3s h THR 155 N -2.26 0.26 0.08 0.90 2.02 -1.99 -1.74 112.91 110.19 2q3s h THR 155 Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2q3s h THR 155 Cb 1.27 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2q3s h THR 155 CO 0.35 0.00 -0.04 -0.09 0.37 0.00 0.00 175.52 176.11 2q3s h ARG 156 N -0.57 -0.10 -0.09 6.66 1.12 -1.95 -2.95 114.38 116.49 2q3s h ARG 156 Ca 0.03 0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.83 2q3s h ARG 156 Cb 0.61 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.58 2q3s h ARG 156 CO -0.21 -0.04 -0.29 1.49 -3.11 0.00 0.00 179.97 177.81 2q3s h GLU 157 N -0.14 0.17 0.00 0.20 4.57 -1.91 -1.27 114.58 116.20 2q3s h GLU 157 Ca -0.01 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2q3s h GLU 157 Cb 0.11 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2q3s h GLU 157 CO 0.02 0.45 -0.10 1.25 -1.18 0.00 0.00 179.01 179.45 2q3s h LEU 158 N 0.15 0.00 0.01 1.64 5.85 -1.24 -0.67 115.31 121.06 2q3s h LEU 158 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2q3s h LEU 158 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2q3s h LEU 158 CO 0.04 0.10 -0.01 0.00 -0.34 0.00 0.00 178.44 178.24 2q3s h ALA 159 N 1.90 -0.02 -0.50 1.25 0.00 -1.10 -3.26 119.26 117.53 2q3s h ALA 159 Ca -0.00 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.55 2q3s h ALA 159 Cb 0.56 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2q3s h ALA 159 CO 0.01 -0.06 0.29 1.25 0.00 0.00 0.00 179.25 180.75 2q3s h HIS 160 N -0.93 0.55 0.00 0.00 -0.00 -1.10 1.80 115.15 115.47 2q3s h HIS 160 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2q3s h HIS 160 Cb 0.78 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.02 2q3s h HIS 160 CO 0.21 0.31 0.00 0.54 -0.00 0.00 0.00 177.93 178.99 2q3s n ARG 161 N -4.81 0.74 0.00 5.26 5.12 -0.28 -0.69 116.66 121.99 2q3s n ARG 161 Ca 0.03 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2q3s n ARG 161 Cb 0.08 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 2q3s n ARG 161 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2q3s n VAL 162 N -1.05 0.00 0.10 1.55 0.31 -0.91 -4.87 118.33 113.47 2q3s n VAL 162 Ca 0.18 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.59 2q3s n VAL 162 Cb 0.11 -0.47 -0.12 0.00 -0.91 0.00 0.00 33.84 32.44 2q3s n VAL 162 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2q3s n LEU 163 N -2.38 0.11 -3.83 7.52 4.77 0.61 -5.01 117.00 118.78 2q3s n LEU 163 Ca 0.00 -0.07 -0.32 0.00 -0.03 0.00 0.00 56.01 55.59 2q3s n LEU 163 Cb 0.43 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2q3s n LEU 163 CO 0.00 0.03 -0.14 0.79 -1.33 0.00 0.00 177.39 176.74 2q3s n TRP 164 N -1.98 -1.74 -4.46 -1.77 7.02 0.13 -4.99 117.44 109.65 2q3s n TRP 164 Ca -0.02 0.47 -0.31 0.00 -1.02 0.00 0.00 57.50 56.62 2q3s n TRP 164 Cb 0.41 -3.41 -0.05 0.00 -2.42 0.00 0.00 31.31 25.84 2q3s n TRP 164 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2q3s s SER 165 N -3.75 4.31 -0.21 -0.99 1.04 -1.26 -5.10 113.70 107.74 2q3s s SER 165 Ca 0.34 -1.52 -0.29 0.00 0.48 0.00 0.00 55.95 54.95 2q3s s SER 165 Cb -0.14 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2q3s s SER 165 CO 0.89 -0.96 1.06 -0.62 0.98 0.00 0.00 173.24 174.59 2q3s s ASP 166 N -4.03 7.10 -0.10 7.02 2.15 -1.26 -4.92 116.67 122.63 2q3s s ASP 166 Ca 0.15 1.44 0.14 0.00 0.43 0.00 0.00 52.55 54.71 2q3s s ASP 166 Cb 0.00 -2.54 0.21 0.00 -0.30 0.00 0.00 42.92 40.29 2q3s s ASP 166 CO 0.09 -0.65 1.10 0.18 -0.17 0.00 0.00 175.17 175.72 2q3s n LEU 167 N 6.18 1.98 -0.35 -1.34 4.77 -1.26 -4.77 117.00 122.21 2q3s n LEU 167 Ca 0.12 -2.65 -0.02 0.00 -0.03 0.00 0.00 56.01 53.43 2q3s n LEU 167 Cb 0.46 -0.32 0.11 0.00 -2.33 0.00 0.00 43.42 41.34 2q3s n LEU 167 CO 0.52 0.62 1.27 1.23 -1.33 0.00 0.00 177.39 179.70 2q3s h GLY 168 N 0.00 1.35 0.68 -0.72 0.00 -1.99 -0.67 103.07 101.73 2q3s h GLY 168 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 2q3s h GLY 168 CO 0.00 0.46 -0.34 -1.61 0.00 0.00 0.00 176.54 175.05 2q3s h GLN 169 N 1.26 -0.90 -0.45 4.80 5.75 -2.01 -1.00 115.11 122.57 2q3s h GLN 169 Ca 0.36 0.06 0.08 0.00 -0.15 0.00 0.00 58.65 59.00 2q3s h GLN 169 Cb -0.09 0.20 -0.09 0.00 1.07 0.00 0.00 27.48 28.56 2q3s h GLN 169 CO -0.09 -0.60 -0.42 1.25 -2.65 0.00 0.00 178.83 176.32 2q3s h LEU 170 N -0.93 -1.41 -0.41 -2.39 5.85 -1.88 -2.72 115.31 111.41 2q3s h LEU 170 Ca -0.09 0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2q3s h LEU 170 Cb 0.72 0.63 -0.06 0.00 0.37 0.00 0.00 40.66 42.32 2q3s h LEU 170 CO 0.15 -0.36 0.04 0.44 -0.34 0.00 0.00 178.44 178.37 2q3s h ASP 171 N -0.30 -0.08 -0.89 1.25 3.45 -1.04 -1.96 116.42 116.86 2q3s h ASP 171 Ca 0.15 0.08 0.07 0.00 0.43 0.00 0.00 57.03 57.77 2q3s h ASP 171 Cb 0.58 0.13 -0.07 0.00 -0.56 0.00 0.00 39.33 39.41 2q3s h ASP 171 CO -0.60 -0.01 0.55 0.77 -1.57 0.00 0.00 179.24 178.38 2q3s h SER 172 N 0.16 0.84 -0.09 6.45 4.64 -0.88 1.29 113.55 125.95 2q3s h SER 172 Ca 0.20 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 2q3s h SER 172 Cb 0.27 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2q3s h SER 172 CO -0.30 0.52 0.03 0.40 -0.87 0.00 0.00 176.83 176.61 2q3s h ILE 173 N 0.96 1.18 0.00 0.95 2.04 -1.10 -3.06 117.51 118.48 2q3s h ILE 173 Ca 0.40 -0.54 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 2q3s h ILE 173 Cb 0.24 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2q3s h ILE 173 CO -0.20 0.15 -0.57 -0.33 0.00 0.00 0.00 178.15 177.21 2q3s h GLU 174 N -0.05 0.00 0.00 2.37 5.08 -0.74 -2.38 114.58 118.86 2q3s h GLU 174 Ca 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2q3s h GLU 174 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2q3s h GLU 174 CO -0.00 0.57 -0.16 0.00 -1.00 0.00 0.00 179.01 178.42 2q3s h ALA 175 N 1.43 1.64 -0.88 3.43 0.00 0.17 -2.32 119.26 122.72 2q3s h ALA 175 Ca -0.01 -0.15 -0.56 0.00 0.00 0.00 0.00 54.91 54.20 2q3s h ALA 175 Cb 1.01 -0.03 -0.42 0.00 0.00 0.00 0.00 17.79 18.35 2q3s h ALA 175 CO 0.07 0.20 -0.72 0.36 0.00 0.00 0.00 179.25 179.16 2q3s n LYS 176 N -4.21 3.55 -0.22 0.00 2.85 -1.05 -4.91 118.16 114.16 2q3s n LYS 176 Ca -0.02 -4.18 -0.01 0.00 -1.05 0.00 0.00 58.31 53.04 2q3s n LYS 176 Cb 0.23 -2.28 0.06 0.00 -0.65 0.00 0.00 35.03 32.39 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 2.24 -0.46 0.00 5.58 2.91 -0.91 0.27 115.95 125.58 2q3s h TRP 177 Ca 0.37 0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.45 2q3s h TRP 177 Cb 1.40 0.30 0.00 0.00 -0.51 0.00 0.00 29.16 30.35 2q3s h TRP 177 CO 0.87 -0.30 0.00 1.05 -1.03 0.00 0.00 178.44 179.03 2q3s h GLU 178 N -0.04 0.00 -0.01 2.65 9.09 -1.88 -1.93 114.58 122.47 2q3s h GLU 178 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.71 2q3s h GLU 178 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 2q3s h GLU 178 CO -0.68 0.00 -0.71 1.63 0.05 0.00 0.00 179.01 179.30 2q3s n LYS 179 N -2.74 0.93 -2.59 1.06 5.02 0.04 -4.95 118.16 114.92 2q3s n LYS 179 Ca -0.01 -0.39 -0.42 0.00 -2.02 0.00 0.00 58.31 55.47 2q3s n LYS 179 Cb 0.13 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 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 -2.61 3.28 1.37 7.82 0.00 -0.73 -5.03 121.76 125.87 2q3s s ALA 180 Ca 0.11 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.51 2q3s s ALA 180 Cb 0.15 -3.40 0.35 0.00 0.00 0.00 0.00 23.12 20.23 2q3s s ALA 180 CO 0.68 -0.37 0.95 0.20 0.00 0.00 0.00 175.76 177.22 2q3s s GLY 181 N 1.07 1.44 0.39 0.00 0.00 -1.26 -4.80 107.32 104.16 2q3s s GLY 181 Ca 0.54 -0.64 0.06 0.00 0.00 0.00 0.00 44.72 44.68 2q3s s GLY 181 CO 0.27 0.31 2.02 -2.55 0.00 0.00 0.00 173.10 173.15 2q3s h PRO 182 N -3.27 0.59 0.29 2.90 0.11 -1.99 -3.05 132.00 127.58 2q3s h PRO 182 Ca -0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2q3s h PRO 182 Cb 1.34 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2q3s h PRO 182 CO 0.34 0.43 -0.20 1.05 -0.21 0.00 0.00 178.00 179.41 2q3s h GLU 183 N 0.60 -0.47 -0.07 1.05 9.09 -2.00 -1.10 114.58 121.69 2q3s h GLU 183 Ca 0.16 0.03 -0.12 0.00 0.05 0.00 0.00 59.36 59.48 2q3s h GLU 183 Cb 0.00 0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.20 2q3s h GLU 183 CO -0.03 -0.31 -0.50 0.93 0.05 0.00 0.00 179.01 179.15 2q3s h GLU 184 N -0.48 0.17 0.00 1.06 5.08 -1.91 -1.41 114.58 117.08 2q3s h GLU 184 Ca -0.02 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 2q3s h GLU 184 Cb 0.41 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2q3s h GLU 184 CO 0.01 0.64 -0.27 1.96 -1.00 0.00 0.00 179.01 180.35 2q3s h GLN 185 N 0.14 0.00 0.13 2.33 4.20 -1.43 -0.02 115.11 120.45 2q3s h GLN 185 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2q3s h GLN 185 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2q3s h GLN 185 CO 0.07 0.27 -0.06 1.25 -0.67 0.00 0.00 178.83 179.69 2q3s h LEU 186 N 0.00 -0.15 -0.04 1.46 5.85 -0.14 -1.79 115.31 120.51 2q3s h LEU 186 Ca -0.00 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.45 2q3s h LEU 186 Cb 0.71 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 2q3s h LEU 186 CO 0.03 0.24 -0.41 -0.08 -0.34 0.00 0.00 178.44 177.89 2q3s h GLU 187 N -0.56 -0.52 -0.75 1.25 4.81 -1.19 0.49 114.58 118.11 2q3s h GLU 187 Ca -0.02 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.42 2q3s h GLU 187 Cb 0.44 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.82 2q3s h GLU 187 CO 0.03 -0.35 0.12 0.00 -0.73 0.00 0.00 179.01 178.08 2q3s h ALA 188 N 0.04 0.91 -0.17 2.92 0.00 -0.92 1.06 119.26 123.10 2q3s h ALA 188 Ca 0.06 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2q3s h ALA 188 Cb 0.64 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2q3s h ALA 188 CO -0.33 -0.39 -0.31 0.00 0.00 0.00 0.00 179.25 178.22 2q3s h ALA 189 N 1.66 1.16 0.06 0.00 0.00 -0.35 -1.88 119.26 119.91 2q3s h ALA 189 Ca 0.42 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2q3s h ALA 189 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2q3s h ALA 189 CO -0.58 0.54 -0.03 0.00 0.00 0.00 0.00 179.25 179.18 2q3s h ALA 190 N 1.39 -0.09 -0.31 0.00 0.00 0.59 -2.77 119.26 118.07 2q3s h ALA 190 Ca 0.04 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2q3s h ALA 190 Cb 0.70 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 2q3s h ALA 190 CO 0.05 -0.39 -0.25 0.82 0.00 0.00 0.00 179.25 179.47 2q3s h ILE 191 N -0.39 0.35 -0.79 0.00 2.04 -0.30 -2.62 117.51 115.80 2q3s h ILE 191 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 2q3s h ILE 191 Cb 0.35 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 2q3s h ILE 191 CO 0.01 0.00 0.52 -0.33 0.00 0.00 0.00 178.15 178.35 2q3s h GLU 192 N -0.23 0.81 -0.23 2.37 5.08 -1.30 -0.81 114.58 120.26 2q3s h GLU 192 Ca 0.16 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2q3s h GLU 192 Cb 0.48 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2q3s h GLU 192 CO -0.45 0.53 -0.03 0.78 -1.00 0.00 0.00 179.01 178.85 2q3s h GLY 193 N 0.83 0.45 0.26 -3.84 0.00 -1.19 -2.66 103.07 96.92 2q3s h GLY 193 Ca 0.34 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.37 2q3s h GLY 193 CO -0.12 0.32 -0.28 -0.25 0.00 0.00 0.00 176.54 176.21 2q3s h TRP 194 N 0.16 -0.75 -1.06 5.60 7.01 -1.09 0.49 115.95 126.32 2q3s h TRP 194 Ca 0.06 0.03 0.28 0.00 2.11 0.00 0.00 58.89 61.37 2q3s h TRP 194 Cb 0.46 0.35 -0.08 0.00 -2.10 0.00 0.00 29.16 27.78 2q3s h TRP 194 CO 0.04 -0.36 0.70 -0.07 -2.79 0.00 0.00 178.44 175.96 2q3s h LEU 195 N -0.36 0.34 0.10 0.65 3.38 -0.98 -1.64 115.31 116.79 2q3s h LEU 195 Ca 0.09 0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.83 2q3s h LEU 195 Cb 0.50 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2q3s h LEU 195 CO -0.31 0.06 -1.57 0.40 0.09 0.00 0.00 178.44 177.12 2q3s h ILE 196 N 0.30 0.88 -0.86 1.22 1.08 -0.93 -1.61 117.51 117.59 2q3s h ILE 196 Ca 0.58 -2.34 0.19 0.00 -0.39 0.00 0.00 64.86 62.89 2q3s h ILE 196 Cb 1.65 2.56 -0.16 0.00 -3.07 0.00 0.00 36.82 37.80 2q3s h ILE 196 CO -0.23 0.69 -0.15 0.58 -0.69 0.00 0.00 178.15 178.35 2q3s h VAL 197 N -0.31 0.15 -0.42 1.67 2.07 -0.61 1.94 116.25 120.75 2q3s h VAL 197 Ca -0.35 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 2q3s h VAL 197 Cb 1.77 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2q3s h VAL 197 CO 0.02 0.00 0.07 0.78 0.02 0.00 0.00 177.57 178.47 2q3s h ASN 198 N 0.02 0.66 -0.71 0.57 2.35 -1.37 0.32 115.58 117.41 2q3s h ASN 198 Ca 0.44 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2q3s h ASN 198 Cb 0.72 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.88 2q3s h ASN 198 CO -0.86 0.74 0.46 0.58 -1.65 0.00 0.00 177.43 176.71 2q3s h VAL 199 N 0.54 1.16 0.55 2.81 2.07 0.13 0.12 116.25 123.63 2q3s h VAL 199 Ca 0.13 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2q3s h VAL 199 Cb 0.36 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2q3s h VAL 199 CO 0.01 0.17 -0.42 -0.25 0.02 0.00 0.00 177.57 177.09 2q3s h TRP 200 N 0.94 -1.14 -0.66 1.57 2.91 0.32 0.20 115.95 120.09 2q3s h TRP 200 Ca 0.27 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.42 2q3s h TRP 200 Cb -0.08 0.43 -0.10 0.00 -0.51 0.00 0.00 29.16 28.90 2q3s h TRP 200 CO -0.03 -0.61 0.11 -0.44 -1.03 0.00 0.00 178.44 176.44 2q3s h ASP 201 N -0.95 -0.07 0.41 2.65 3.32 -0.20 1.20 116.42 122.78 2q3s h ASP 201 Ca -0.06 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2q3s h ASP 201 Cb 0.80 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 2q3s h ASP 201 CO 0.01 -0.04 -0.41 -0.61 -1.72 0.00 0.00 179.24 176.47 2q3s h GLN 202 N 0.22 -0.78 -0.93 3.56 5.75 -0.08 -2.60 115.11 120.24 2q3s h GLN 202 Ca 0.35 0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.93 2q3s h GLN 202 Cb 0.57 0.18 -0.05 0.00 1.07 0.00 0.00 27.48 29.25 2q3s h GLN 202 CO -0.48 -0.52 0.61 -0.07 -2.65 0.00 0.00 178.83 175.72 2q3s h LEU 203 N -0.81 1.04 -0.77 -2.39 3.38 0.29 -2.57 115.31 113.47 2q3s h LEU 203 Ca -0.05 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2q3s h LEU 203 Cb 0.70 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2q3s h LEU 203 CO -0.05 0.73 0.47 0.77 0.09 0.00 0.00 178.44 180.45 2q3s h SER 204 N 1.21 0.76 0.20 -0.43 4.64 0.16 -1.98 113.55 118.11 2q3s h SER 204 Ca 0.36 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2q3s h SER 204 Cb -0.06 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 2q3s h SER 204 CO -0.10 0.51 -0.20 -0.67 -0.87 0.00 0.00 176.83 175.50 2q3s n ASP 205 N -4.65 1.05 0.00 4.97 2.03 -0.99 -5.08 116.55 113.87 2q3s n ASP 205 Ca 0.10 -0.96 0.04 0.00 0.52 0.00 0.00 54.79 54.48 2q3s n ASP 205 Cb 0.13 0.09 0.21 0.00 -0.72 0.00 0.00 41.12 40.83 2q3s n ASP 205 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66