#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5d s GLU 13 N 0.00 2.66 -0.03 1.64 2.02 -1.26 -1.32 118.70 122.41 2a5d s GLU 13 Ca 0.00 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.39 2a5d s GLU 13 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 34.13 31.70 2a5d s GLU 13 CO 0.00 0.64 -0.07 0.00 0.02 0.00 0.00 175.26 175.85 2a5d s MET 14 N -1.00 0.92 -0.18 1.61 0.23 -0.64 -4.95 119.30 115.28 2a5d s MET 14 Ca 0.14 -0.21 -0.24 0.00 -1.03 0.00 0.00 55.69 54.34 2a5d s MET 14 Cb -0.11 -0.87 -0.02 0.00 -1.53 0.00 0.00 34.83 32.31 2a5d s MET 14 CO 0.03 0.02 0.77 0.50 -2.03 0.00 0.00 175.02 174.31 2a5d s ARG 15 N 0.52 4.26 -0.06 3.16 3.52 -1.26 -1.28 118.95 127.81 2a5d s ARG 15 Ca -0.08 0.89 0.05 0.00 -0.13 0.00 0.00 55.73 56.46 2a5d s ARG 15 Cb -0.11 -3.58 -0.02 0.00 -1.56 0.00 0.00 34.95 29.68 2a5d s ARG 15 CO 0.01 -0.31 -0.21 0.42 -0.81 0.00 0.00 175.30 174.40 2a5d s ILE 16 N 2.12 2.48 -0.15 4.11 -1.09 -0.19 -0.21 121.20 128.27 2a5d s ILE 16 Ca 0.35 -0.92 -0.01 0.00 -2.23 0.00 0.00 60.65 57.84 2a5d s ILE 16 Cb -0.16 -1.94 -0.01 0.00 -1.58 0.00 0.00 42.46 38.77 2a5d s ILE 16 CO 0.11 0.57 -0.12 -0.22 -1.23 0.00 0.00 174.94 174.05 2a5d s LEU 17 N -0.31 2.66 -0.29 2.97 2.96 -0.81 -1.21 118.68 124.65 2a5d s LEU 17 Ca 0.02 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2a5d s LEU 17 Cb -0.13 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 44.99 2a5d s LEU 17 CO 0.02 0.11 -0.01 -0.32 -1.32 0.00 0.00 176.35 174.83 2a5d s MET 18 N 0.70 2.59 0.37 1.98 -2.45 0.13 -1.24 119.30 121.39 2a5d s MET 18 Ca -0.06 -1.16 0.04 0.00 -1.25 0.00 0.00 55.69 53.26 2a5d s MET 18 Cb -0.15 -3.15 -0.05 0.00 1.25 0.00 0.00 34.83 32.72 2a5d s MET 18 CO 0.02 -0.55 0.06 -0.51 1.05 0.00 0.00 175.02 175.09 2a5d s LEU 19 N 1.30 2.23 0.00 4.11 1.02 -0.02 -2.86 118.68 124.46 2a5d s LEU 19 Ca -0.03 -1.47 0.00 0.00 0.02 0.00 0.00 54.13 52.65 2a5d s LEU 19 Cb -0.19 -0.41 0.00 0.00 0.02 0.00 0.00 46.19 45.61 2a5d s LEU 19 CO -0.02 -0.68 0.00 0.61 0.02 0.00 0.00 176.35 176.28 2a5d n GLY 20 N -0.82 3.50 3.71 -3.19 0.00 -1.26 -1.06 105.19 106.06 2a5d n GLY 20 Ca -0.05 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 2a5d n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a5d s LEU 21 N 0.00 3.05 0.26 0.99 1.43 -1.26 -4.19 118.68 118.96 2a5d s LEU 21 Ca 0.00 2.20 -0.29 0.00 -1.03 0.00 0.00 54.13 55.01 2a5d s LEU 21 Cb 0.00 -4.57 -0.14 0.00 0.03 0.00 0.00 46.19 41.51 2a5d s LEU 21 CO 0.00 -2.64 1.03 -0.90 0.23 0.00 0.00 176.35 174.07 2a5d n ASP 22 N -3.57 1.23 0.00 2.29 5.75 -0.99 -2.14 116.55 119.13 2a5d n ASP 22 Ca 0.12 1.17 0.00 0.00 -0.01 0.00 0.00 54.79 56.07 2a5d n ASP 22 Cb 0.51 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.34 2a5d n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a5d n ALA 23 N 0.51 0.00 -0.04 2.12 0.00 -1.26 -4.91 120.51 116.93 2a5d n ALA 23 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 2a5d n ALA 23 Cb 0.30 -0.04 0.21 0.00 0.00 0.00 0.00 19.45 19.92 2a5d n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a5d h ALA 24 N 0.00 1.17 0.00 0.00 0.00 -1.75 -3.46 119.26 115.21 2a5d h ALA 24 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2a5d h ALA 24 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2a5d h ALA 24 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2a5d n GLY 25 N -0.62 1.60 0.04 0.00 0.00 -1.26 -4.30 105.19 100.66 2a5d n GLY 25 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2a5d n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a5d h LYS 26 N 0.00 -0.01 -0.27 1.61 1.57 -1.91 -1.75 116.57 115.82 2a5d h LYS 26 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2a5d h LYS 26 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2a5d h LYS 26 CO 0.00 0.06 -0.33 1.15 -0.57 0.00 0.00 179.45 179.76 2a5d h THR 27 N -0.07 1.29 -0.34 -0.16 2.02 -1.97 -1.16 112.91 112.51 2a5d h THR 27 Ca -0.00 -1.45 0.03 0.00 0.77 0.00 0.00 66.41 65.76 2a5d h THR 27 Cb 0.07 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2a5d h THR 27 CO 0.00 0.46 0.16 0.74 0.37 0.00 0.00 175.52 177.25 2a5d h THR 28 N 0.49 0.97 -0.05 3.16 2.02 -1.90 -1.63 112.91 115.97 2a5d h THR 28 Ca 0.06 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.14 2a5d h THR 28 Cb 0.81 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2a5d h THR 28 CO 0.07 0.06 -0.07 0.40 0.37 0.00 0.00 175.52 176.35 2a5d h ILE 29 N 0.33 0.81 -0.18 3.11 2.04 -0.82 0.13 117.51 122.93 2a5d h ILE 29 Ca 0.15 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.05 2a5d h ILE 29 Cb 0.07 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2a5d h ILE 29 CO -0.11 0.00 -0.08 0.25 0.00 0.00 0.00 178.15 178.21 2a5d h LEU 30 N -0.10 -0.28 0.00 1.44 5.85 -0.87 -0.93 115.31 120.43 2a5d h LEU 30 Ca 0.05 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 2a5d h LEU 30 Cb 0.16 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2a5d h LEU 30 CO -0.11 -0.11 -0.44 1.88 -0.34 0.00 0.00 178.44 179.32 2a5d h TYR 31 N -0.06 0.00 -0.61 1.25 0.05 -1.24 0.15 116.97 116.51 2a5d h TYR 31 Ca 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 2a5d h TYR 31 Cb 0.21 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 2a5d h TYR 31 CO -0.23 0.42 0.30 -0.22 -1.05 0.00 0.00 178.16 177.38 2a5d h LYS 32 N 0.00 0.88 -0.24 4.88 1.63 -0.40 0.40 116.57 123.72 2a5d h LYS 32 Ca -0.01 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 59.60 2a5d h LYS 32 Cb 1.33 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 2a5d h LYS 32 CO 0.05 0.71 -0.10 -0.07 -3.45 0.00 0.00 179.45 176.59 2a5d h LEU 33 N 0.84 0.50 0.02 5.20 3.38 -1.13 0.05 115.31 124.17 2a5d h LEU 33 Ca 0.21 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2a5d h LEU 33 Cb 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2a5d h LEU 33 CO -0.03 0.79 -0.01 0.50 0.09 0.00 0.00 178.44 179.79 2a5d h LYS 34 N 0.21 -0.02 0.00 1.13 1.63 -0.77 -3.35 116.57 115.40 2a5d h LYS 34 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2a5d h LYS 34 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 2a5d h LYS 34 CO 0.03 0.64 -1.16 1.28 -3.45 0.00 0.00 179.45 176.79 2a5d n LEU 35 N -4.78 0.77 -0.03 5.20 4.77 0.14 -4.94 117.00 118.12 2a5d n LEU 35 Ca -0.09 -0.36 -0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2a5d n LEU 35 Cb 0.33 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2a5d n LEU 35 CO 0.33 0.19 -0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2a5d n GLY 36 N 1.45 0.33 3.42 -0.72 0.00 0.00 -4.99 105.19 104.68 2a5d n GLY 36 Ca 0.02 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2a5d n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a5d s GLN 37 N -0.92 1.51 -0.46 1.61 -0.21 -1.25 -4.97 119.66 114.97 2a5d s GLN 37 Ca 0.00 -1.57 -0.21 0.00 0.02 0.00 0.00 55.36 53.59 2a5d s GLN 37 Cb 0.00 -1.70 0.03 0.00 1.00 0.00 0.00 33.01 32.34 2a5d s GLN 37 CO 0.00 0.35 0.70 -1.12 -2.12 0.00 0.00 175.29 173.09 2a5d s SER 38 N -2.92 6.33 0.18 5.90 0.01 -1.26 -3.23 113.70 118.72 2a5d s SER 38 Ca 0.22 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.17 2a5d s SER 38 Cb -0.06 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 2a5d s SER 38 CO 0.10 -0.86 0.29 0.68 0.41 0.00 0.00 173.24 173.87 2a5d s VAL 39 N 2.99 5.18 -0.16 3.43 -7.23 -1.26 -5.08 120.40 118.27 2a5d s VAL 39 Ca 0.24 -0.85 -0.28 0.00 -1.81 0.00 0.00 61.98 59.28 2a5d s VAL 39 Cb -0.14 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 2a5d s VAL 39 CO 0.19 -0.18 0.96 -0.89 -0.31 0.00 0.00 175.10 174.87 2a5d s THR 40 N -1.83 4.79 0.22 5.32 2.01 -1.26 -4.96 115.64 119.92 2a5d s THR 40 Ca 0.34 1.91 0.05 0.00 0.31 0.00 0.00 61.69 64.29 2a5d s THR 40 Cb -0.10 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2a5d s THR 40 CO 0.28 -0.03 0.32 0.42 -0.69 0.00 0.00 174.62 174.91 2a5d s THR 41 N 2.35 5.16 -0.07 -0.82 -4.23 -1.26 -5.12 115.64 111.66 2a5d s THR 41 Ca 0.44 -0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.98 2a5d s THR 41 Cb -0.17 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 69.87 2a5d s THR 41 CO 0.13 -0.27 0.00 -0.51 -0.54 0.00 0.00 174.62 173.44 2a5d s ILE 42 N -1.93 4.28 0.21 2.99 2.07 -1.26 -5.09 121.20 122.47 2a5d s ILE 42 Ca 0.34 -0.32 -0.32 0.00 -1.41 0.00 0.00 60.65 58.94 2a5d s ILE 42 Cb -0.09 -2.82 -0.14 0.00 0.13 0.00 0.00 42.46 39.54 2a5d s ILE 42 CO 0.28 0.56 1.40 -2.65 -1.91 0.00 0.00 174.94 172.62 2a5d n PRO 43 N 1.99 1.89 -3.03 3.50 -0.02 -1.26 -4.88 135.00 133.19 2a5d n PRO 43 Ca -0.18 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 2a5d n PRO 43 Cb 0.53 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 2a5d n PRO 43 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2a5d s THR 44 N 0.09 4.90 -0.36 3.45 2.01 -1.26 -4.92 115.64 119.55 2a5d s THR 44 Ca 0.71 1.15 0.20 0.00 0.31 0.00 0.00 61.69 64.06 2a5d s THR 44 Cb -0.70 -4.03 -0.28 0.00 0.01 0.00 0.00 72.50 67.50 2a5d s THR 44 CO 0.48 -0.10 0.59 1.33 -0.69 0.00 0.00 174.62 176.23 2a5d n VAL 45 N 5.34 0.00 0.00 3.82 0.24 -1.26 -4.01 118.33 122.46 2a5d n VAL 45 Ca 0.01 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2a5d n VAL 45 Cb 0.48 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 2a5d n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2a5d n GLY 46 N 1.39 1.20 3.25 7.63 0.00 -1.26 -4.79 105.19 112.61 2a5d n GLY 46 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2a5d n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2a5d s PHE 47 N 2.25 -0.11 0.07 1.61 -0.12 -1.26 -1.84 117.98 118.58 2a5d s PHE 47 Ca 0.00 -0.01 0.06 0.00 -0.05 0.00 0.00 56.93 56.93 2a5d s PHE 47 Cb 0.00 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 2a5d s PHE 47 CO 0.00 -0.49 -0.11 -0.80 -0.05 0.00 0.00 175.22 173.77 2a5d s ASN 48 N -1.99 4.32 -0.05 1.98 0.02 -0.07 -5.00 114.94 114.14 2a5d s ASN 48 Ca -0.06 -0.34 -0.02 0.00 -1.02 0.00 0.00 52.86 51.42 2a5d s ASN 48 Cb -0.01 -0.84 0.03 0.00 0.02 0.00 0.00 41.25 40.45 2a5d s ASN 48 CO -0.03 0.22 0.11 0.54 0.02 0.00 0.00 177.10 177.96 2a5d s VAL 49 N -1.10 -0.05 0.05 1.60 0.11 -1.26 -0.38 120.40 119.37 2a5d s VAL 49 Ca 0.19 0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 59.40 2a5d s VAL 49 Cb -0.11 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 2a5d s VAL 49 CO 0.10 0.07 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.31 2a5d s GLU 50 N 1.05 0.61 -0.07 1.54 0.41 -0.89 -5.02 118.70 116.33 2a5d s GLU 50 Ca -0.08 -1.22 0.03 0.00 -0.41 0.00 0.00 54.97 53.29 2a5d s GLU 50 Cb -0.11 0.21 -0.02 0.00 -1.78 0.00 0.00 34.13 32.43 2a5d s GLU 50 CO -0.05 -0.11 -0.16 0.99 -0.49 0.00 0.00 175.26 175.45 2a5d s THR 51 N -3.92 2.91 -0.03 3.63 2.01 -1.26 -1.00 115.64 117.99 2a5d s THR 51 Ca 0.07 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.34 2a5d s THR 51 Cb 0.08 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.44 2a5d s THR 51 CO -0.10 0.57 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.61 2a5d s VAL 52 N -0.35 0.82 -0.16 3.82 1.01 -0.23 -4.98 120.40 120.34 2a5d s VAL 52 Ca 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 2a5d s VAL 52 Cb -0.12 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2a5d s VAL 52 CO 0.02 0.25 -0.01 -0.89 0.00 0.00 0.00 175.10 174.48 2a5d s THR 53 N 0.16 4.13 -0.15 3.92 2.01 -1.26 -0.06 115.64 124.40 2a5d s THR 53 Ca -0.03 -0.27 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 2a5d s THR 53 Cb -0.08 -2.82 0.05 0.00 0.01 0.00 0.00 72.50 69.65 2a5d s THR 53 CO 0.01 0.49 0.38 -0.47 -0.69 0.00 0.00 174.62 174.33 2a5d s TYR 54 N 0.30 -0.49 -1.51 4.92 5.04 0.38 -4.91 117.35 121.08 2a5d s TYR 54 Ca -0.02 1.11 -0.04 0.00 -2.44 0.00 0.00 57.07 55.69 2a5d s TYR 54 Cb -0.14 0.19 0.03 0.00 0.35 0.00 0.00 41.96 42.40 2a5d s TYR 54 CO 0.02 -0.27 0.38 1.63 -1.34 0.00 0.00 175.55 175.97 2a5d n LYS 55 N 3.67 -2.58 -1.05 4.97 4.76 -1.26 -0.44 118.16 126.24 2a5d n LYS 55 Ca -0.19 0.31 -0.02 0.00 -2.87 0.00 0.00 58.31 55.54 2a5d n LYS 55 Cb 0.56 -4.38 -0.01 0.00 -1.84 0.00 0.00 35.03 29.36 2a5d n LYS 55 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2a5d n ASN 56 N -2.89 -4.55 -4.38 4.39 2.04 -1.26 -5.00 115.26 103.61 2a5d n ASN 56 Ca -0.24 0.04 -0.33 0.00 -0.44 0.00 0.00 54.58 53.61 2a5d n ASN 56 Cb 0.65 -2.19 -0.14 0.00 -2.53 0.00 0.00 39.78 35.56 2a5d n ASN 56 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 2a5d s VAL 57 N -1.60 3.00 -0.64 3.53 1.01 0.42 -4.61 120.40 121.50 2a5d s VAL 57 Ca 0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 2a5d s VAL 57 Cb 0.00 -2.24 0.10 0.00 0.00 0.00 0.00 36.38 34.24 2a5d s VAL 57 CO 0.00 0.54 0.81 -0.75 0.00 0.00 0.00 175.10 175.70 2a5d s LYS 58 N 0.18 3.11 -0.33 2.72 2.36 -0.43 -0.47 119.74 126.88 2a5d s LYS 58 Ca -0.08 -1.23 -0.24 0.00 -2.55 0.00 0.00 55.97 51.86 2a5d s LYS 58 Cb -0.15 -4.30 0.01 0.00 -1.05 0.00 0.00 37.83 32.33 2a5d s LYS 58 CO 0.05 -1.64 0.83 -0.06 1.55 0.00 0.00 175.35 176.09 2a5d s PHE 59 N 3.04 3.16 -0.59 4.03 0.40 0.92 -1.62 117.98 127.32 2a5d s PHE 59 Ca 0.16 0.78 -0.19 0.00 -0.60 0.00 0.00 56.93 57.08 2a5d s PHE 59 Cb -0.20 -3.36 0.09 0.00 0.51 0.00 0.00 43.02 40.06 2a5d s PHE 59 CO 0.06 -0.66 0.72 1.21 0.70 0.00 0.00 175.22 177.25 2a5d s ASN 60 N 1.71 6.19 -0.26 1.36 2.47 -0.41 -1.06 114.94 124.94 2a5d s ASN 60 Ca 0.34 -1.32 -0.09 0.00 0.42 0.00 0.00 52.86 52.21 2a5d s ASN 60 Cb -0.13 -2.31 -0.04 0.00 -1.45 0.00 0.00 41.25 37.31 2a5d s ASN 60 CO 0.15 -1.12 0.14 -0.69 -3.72 0.00 0.00 177.10 171.85 2a5d s VAL 61 N 2.83 4.91 -0.32 -5.21 1.01 -0.17 -1.02 120.40 122.43 2a5d s VAL 61 Ca 0.13 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 2a5d s VAL 61 Cb -0.23 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2a5d s VAL 61 CO 0.07 0.30 0.26 0.26 0.00 0.00 0.00 175.10 176.00 2a5d s TRP 62 N 1.57 3.22 -0.43 5.22 0.52 -0.35 -2.10 118.94 126.60 2a5d s TRP 62 Ca 0.07 -0.03 -0.12 0.00 0.02 0.00 0.00 56.10 56.04 2a5d s TRP 62 Cb -0.15 -2.50 0.06 0.00 -1.15 0.00 0.00 33.47 29.73 2a5d s TRP 62 CO 0.07 -0.31 0.29 0.34 0.02 0.00 0.00 176.95 177.37 2a5d s ASP 63 N 1.73 5.85 -0.14 2.95 2.15 0.49 0.22 116.67 129.92 2a5d s ASP 63 Ca 0.08 -1.31 -0.03 0.00 0.43 0.00 0.00 52.55 51.73 2a5d s ASP 63 Cb -0.17 -2.07 -0.03 0.00 -0.30 0.00 0.00 42.92 40.36 2a5d s ASP 63 CO 0.11 -0.54 -0.04 -0.69 -0.17 0.00 0.00 175.17 173.85 2a5d s VAL 64 N 1.53 3.92 0.35 1.11 1.01 -1.14 -0.90 120.40 126.30 2a5d s VAL 64 Ca 0.03 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 2a5d s VAL 64 Cb -0.22 -2.70 -0.13 0.00 0.00 0.00 0.00 36.38 33.32 2a5d s VAL 64 CO 0.05 0.52 0.73 0.61 0.00 0.00 0.00 175.10 177.00 2a5d n GLY 65 N 3.24 -1.04 0.39 4.51 0.00 -0.77 -4.76 105.19 106.76 2a5d n GLY 65 Ca -0.18 0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.07 2a5d n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a5d n GLY 66 N 1.59 1.49 3.74 -0.02 0.00 -1.26 -4.60 105.19 106.13 2a5d n GLY 66 Ca 0.12 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 2a5d n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a5d s GLN 67 N -0.86 2.81 0.27 1.61 0.74 -1.26 -2.35 119.66 120.62 2a5d s GLN 67 Ca 0.13 2.10 -0.00 0.00 0.05 0.00 0.00 55.36 57.64 2a5d s GLN 67 Cb 0.08 -2.00 0.51 0.00 1.10 0.00 0.00 33.01 32.70 2a5d s GLN 67 CO 0.10 -1.41 1.82 0.38 -0.55 0.00 0.00 175.29 175.64 2a5d h ASP 68 N 0.90 0.84 0.42 6.67 3.04 -1.99 -1.91 116.42 124.38 2a5d h ASP 68 Ca -0.51 0.05 -0.02 0.00 -3.24 0.00 0.00 57.03 53.32 2a5d h ASP 68 Cb 1.32 -0.11 -0.00 0.00 -1.04 0.00 0.00 39.33 39.49 2a5d h ASP 68 CO 0.55 0.45 -0.08 0.11 -2.04 0.00 0.00 179.24 178.23 2a5d h LYS 69 N 0.92 0.00 -0.09 4.15 1.57 -1.99 -2.55 116.57 118.58 2a5d h LYS 69 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2a5d h LYS 69 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2a5d h LYS 69 CO -0.27 0.08 0.00 0.44 -0.57 0.00 0.00 179.45 179.13 2a5d n ILE 70 N -3.45 0.16 0.25 1.86 -5.35 -0.73 -4.54 119.36 107.56 2a5d n ILE 70 Ca -0.02 -0.58 0.09 0.00 -0.27 0.00 0.00 62.75 61.97 2a5d n ILE 70 Cb 0.22 1.18 0.64 0.00 -1.74 0.00 0.00 39.64 39.94 2a5d n ILE 70 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 2a5d h ARG 71 N 2.85 0.00 0.00 6.28 3.08 -1.29 -1.32 114.38 123.98 2a5d h ARG 71 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2a5d h ARG 71 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2a5d h ARG 71 CO 0.00 0.11 0.10 -1.35 -1.07 0.00 0.00 179.97 177.76 2a5d h PRO 72 N 0.00 0.00 0.00 0.04 0.11 -1.80 -1.28 132.00 129.07 2a5d h PRO 72 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2a5d h PRO 72 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 2a5d h PRO 72 CO 0.01 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.73 2a5d h LEU 73 N 0.00 0.00 -0.76 2.35 3.38 -1.57 -3.35 115.31 115.36 2a5d h LEU 73 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2a5d h LEU 73 Cb 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 2a5d h LEU 73 CO 0.00 0.00 0.41 -0.50 0.09 0.00 0.00 178.44 178.44 2a5d h TRP 74 N 0.00 0.74 0.00 1.13 6.55 -1.36 -1.91 115.95 121.11 2a5d h TRP 74 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 2a5d h TRP 74 Cb 0.84 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.92 2a5d h TRP 74 CO 0.00 0.30 0.00 0.07 -1.05 0.00 0.00 178.44 177.76 2a5d h ARG 75 N 0.70 0.00 -0.00 0.49 0.11 -1.78 -1.13 114.38 112.78 2a5d h ARG 75 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 2a5d h ARG 75 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 2a5d h ARG 75 CO -0.25 0.00 -0.02 0.72 0.10 0.00 0.00 179.97 180.53 2a5d n HIS 76 N -2.95 0.00 0.63 4.08 8.25 -0.72 -2.39 115.22 122.12 2a5d n HIS 76 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 2a5d n HIS 76 Cb 0.08 -0.13 0.07 0.00 1.12 0.00 0.00 29.99 31.14 2a5d n HIS 76 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2a5d n TYR 77 N -1.04 0.03 -0.04 4.41 4.02 -0.43 -4.73 117.16 119.38 2a5d n TYR 77 Ca 0.19 -0.02 -0.05 0.00 -0.01 0.00 0.00 57.90 58.01 2a5d n TYR 77 Cb 0.19 -0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.68 2a5d n TYR 77 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 2a5d h TYR 78 N 3.17 0.70 -3.17 -0.72 0.99 -1.56 -3.43 116.97 112.95 2a5d h TYR 78 Ca 0.00 -0.13 -0.53 0.00 2.00 0.00 0.00 58.73 60.07 2a5d h TYR 78 Cb 0.68 -0.18 0.05 0.00 1.00 0.00 0.00 36.73 38.28 2a5d h TYR 78 CO 0.02 0.76 0.79 0.95 -0.00 0.00 0.00 178.16 180.68 2a5d s THR 79 N -4.67 2.73 0.00 -2.88 -4.23 -1.26 -1.42 115.64 103.91 2a5d s THR 79 Ca -0.08 0.58 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 2a5d s THR 79 Cb 0.14 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.61 2a5d s THR 79 CO 0.81 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.57 2a5d n GLY 80 N 2.81 1.26 3.70 3.99 0.00 -1.26 -5.03 105.19 110.67 2a5d n GLY 80 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2a5d n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5d s THR 81 N -2.56 3.52 -0.06 2.61 2.01 -0.50 -4.59 115.64 116.07 2a5d s THR 81 Ca 0.00 1.03 0.18 0.00 0.31 0.00 0.00 61.69 63.20 2a5d s THR 81 Cb 0.00 -3.66 -0.27 0.00 0.01 0.00 0.00 72.50 68.59 2a5d s THR 81 CO 0.00 0.04 0.32 0.00 -0.69 0.00 0.00 174.62 174.30 2a5d n GLN 82 N 4.58 0.71 -3.78 4.92 6.02 0.71 -4.51 117.38 126.02 2a5d n GLN 82 Ca 0.12 -0.13 -0.13 0.00 -0.01 0.00 0.00 57.00 56.85 2a5d n GLN 82 Cb 0.43 -1.43 -0.12 0.00 1.02 0.00 0.00 30.24 30.14 2a5d n GLN 82 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2a5d s GLY 83 N -4.32 -0.19 -0.18 1.08 0.00 -1.08 -2.95 107.32 99.68 2a5d s GLY 83 Ca -0.07 0.75 -0.09 0.00 0.00 0.00 0.00 44.72 45.31 2a5d s GLY 83 CO 0.74 0.69 0.11 -2.27 0.00 0.00 0.00 173.10 172.38 2a5d s LEU 84 N 0.26 4.14 -0.29 0.66 2.96 0.48 -1.93 118.68 124.97 2a5d s LEU 84 Ca -0.01 0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 54.05 2a5d s LEU 84 Cb -0.03 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 2a5d s LEU 84 CO -0.01 0.22 0.11 -0.63 -1.32 0.00 0.00 176.35 174.72 2a5d s ILE 85 N 0.13 4.32 -0.24 6.68 1.01 -0.37 -0.65 121.20 132.08 2a5d s ILE 85 Ca 0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 2a5d s ILE 85 Cb -0.11 -3.15 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 2a5d s ILE 85 CO -0.01 0.15 -0.02 0.12 0.00 0.00 0.00 174.94 175.19 2a5d s PHE 86 N 1.58 3.02 -0.20 3.97 5.36 -0.04 -0.84 117.98 130.83 2a5d s PHE 86 Ca 0.05 -1.00 -0.08 0.00 -0.96 0.00 0.00 56.93 54.93 2a5d s PHE 86 Cb -0.16 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.34 2a5d s PHE 86 CO 0.04 -0.57 0.09 0.08 -1.46 0.00 0.00 175.22 173.41 2a5d s VAL 87 N 1.47 4.97 -0.03 3.12 1.01 -0.23 -1.42 120.40 129.30 2a5d s VAL 87 Ca 0.04 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.13 2a5d s VAL 87 Cb -0.15 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2a5d s VAL 87 CO -0.02 0.42 -0.23 -0.69 0.00 0.00 0.00 175.10 174.58 2a5d s VAL 88 N 0.61 2.26 -0.49 2.92 1.01 -0.57 -4.13 120.40 122.00 2a5d s VAL 88 Ca 0.05 -1.02 -0.26 0.00 0.00 0.00 0.00 61.98 60.74 2a5d s VAL 88 Cb -0.13 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.48 2a5d s VAL 88 CO 0.01 0.58 1.01 -0.62 0.00 0.00 0.00 175.10 176.08 2a5d s ASP 89 N -0.56 6.50 0.09 3.32 3.68 -1.26 -0.95 116.67 127.49 2a5d s ASP 89 Ca 0.08 0.12 0.22 0.00 2.13 0.00 0.00 52.55 55.10 2a5d s ASP 89 Cb -0.11 -2.48 0.88 0.00 -1.45 0.00 0.00 42.92 39.76 2a5d s ASP 89 CO -0.00 -1.18 1.68 0.00 0.13 0.00 0.00 175.17 175.79 2a5d n ALA 91 N -1.61 2.73 -2.79 0.00 0.00 -1.26 -0.55 120.51 117.04 2a5d n ALA 91 Ca 0.04 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 2a5d n ALA 91 Cb 0.26 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2a5d n ALA 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2a5d n ASP 92 N -2.06 5.50 0.11 0.00 4.64 -0.85 -4.78 116.55 119.11 2a5d n ASP 92 Ca 0.04 -3.14 0.02 0.00 -1.38 0.00 0.00 54.79 50.33 2a5d n ASP 92 Cb 0.42 -1.44 0.38 0.00 -1.04 0.00 0.00 41.12 39.44 2a5d n ASP 92 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 2a5d h ARG 93 N 6.14 0.27 0.00 -0.67 3.08 -1.83 -2.27 114.38 119.09 2a5d h ARG 93 Ca 0.30 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 2a5d h ARG 93 Cb 0.72 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 2a5d h ARG 93 CO 1.38 0.40 -0.12 -0.44 -1.07 0.00 0.00 179.97 180.12 2a5d h ASP 94 N 0.25 0.00 -0.11 7.04 3.32 -1.98 -3.03 116.42 121.91 2a5d h ASP 94 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2a5d h ASP 94 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2a5d h ASP 94 CO 0.02 0.12 0.00 0.54 -1.72 0.00 0.00 179.24 178.20 2a5d n ARG 95 N -3.79 2.81 -0.11 3.56 1.74 -0.88 -4.64 116.66 115.35 2a5d n ARG 95 Ca -0.02 -1.81 -0.03 0.00 -0.77 0.00 0.00 57.85 55.22 2a5d n ARG 95 Cb 0.23 -1.16 0.19 0.00 -1.02 0.00 0.00 32.46 30.70 2a5d n ARG 95 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2a5d h ILE 96 N 0.65 1.23 -0.59 0.55 6.09 -1.37 -1.32 117.51 122.75 2a5d h ILE 96 Ca 0.00 -0.86 -0.08 0.00 -1.37 0.00 0.00 64.86 62.55 2a5d h ILE 96 Cb 0.65 0.75 -0.02 0.00 0.47 0.00 0.00 36.82 38.67 2a5d h ILE 96 CO 0.01 0.31 0.06 0.44 -3.07 0.00 0.00 178.15 175.90 2a5d h ASP 97 N 0.76 0.93 -0.67 2.19 3.32 -1.82 -0.70 116.42 120.43 2a5d h ASP 97 Ca 0.16 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 2a5d h ASP 97 Cb 0.34 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2a5d h ASP 97 CO 0.01 0.96 0.28 -0.08 -1.72 0.00 0.00 179.24 178.68 2a5d h GLU 98 N 0.91 1.03 -0.56 3.56 4.81 -1.67 -2.19 114.58 120.46 2a5d h GLU 98 Ca 0.18 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2a5d h GLU 98 Cb 0.45 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2a5d h GLU 98 CO 0.02 0.84 0.25 0.00 -0.73 0.00 0.00 179.01 179.38 2a5d h ALA 99 N 1.29 0.73 -0.36 2.92 0.00 -0.69 -1.26 119.26 121.90 2a5d h ALA 99 Ca 0.23 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2a5d h ALA 99 Cb 0.20 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2a5d h ALA 99 CO -0.02 0.31 -0.03 -0.09 0.00 0.00 0.00 179.25 179.43 2a5d h ARG 100 N 0.76 0.06 -0.73 0.00 2.43 -0.93 0.11 114.38 116.10 2a5d h ARG 100 Ca 0.19 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2a5d h ARG 100 Cb 0.16 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2a5d h ARG 100 CO -0.02 0.04 0.25 1.96 -1.51 0.00 0.00 179.97 180.69 2a5d h GLN 101 N 0.07 1.11 -0.28 0.20 4.20 -0.75 -1.83 115.11 117.83 2a5d h GLN 101 Ca 0.17 -0.22 -0.17 0.00 0.06 0.00 0.00 58.65 58.49 2a5d h GLN 101 Cb 0.25 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2a5d h GLN 101 CO -0.32 0.93 -0.50 0.93 -0.67 0.00 0.00 178.83 179.20 2a5d h GLU 102 N 1.07 0.83 -0.09 1.46 4.39 -0.83 -2.05 114.58 119.37 2a5d h GLU 102 Ca 0.24 -0.52 0.03 0.00 0.34 0.00 0.00 59.36 59.44 2a5d h GLU 102 Cb 0.27 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 2a5d h GLU 102 CO -0.01 1.15 -0.08 1.25 -1.16 0.00 0.00 179.01 180.16 2a5d h LEU 103 N 0.60 -0.26 -0.96 1.33 5.85 -0.41 -1.56 115.31 119.89 2a5d h LEU 103 Ca 0.02 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 2a5d h LEU 103 Cb 1.11 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2a5d h LEU 103 CO 0.11 -0.12 -0.35 0.45 -0.34 0.00 0.00 178.44 178.20 2a5d h HIS 104 N -0.11 0.37 -0.73 1.25 3.86 -1.31 -1.26 115.15 117.23 2a5d h HIS 104 Ca 0.06 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2a5d h HIS 104 Cb 0.20 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.54 2a5d h HIS 104 CO -0.19 0.64 0.47 0.00 0.86 0.00 0.00 177.93 179.71 2a5d h ARG 105 N 0.28 0.96 0.13 2.45 3.08 -1.06 -2.23 114.38 118.00 2a5d h ARG 105 Ca 0.03 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2a5d h ARG 105 Cb 0.75 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2a5d h ARG 105 CO 0.06 0.65 -0.06 0.82 -1.07 0.00 0.00 179.97 180.36 2a5d h ILE 106 N 0.99 1.04 0.00 2.04 2.04 -0.25 -3.27 117.51 120.10 2a5d h ILE 106 Ca 0.27 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2a5d h ILE 106 Cb -0.10 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2a5d h ILE 106 CO -0.06 0.19 0.00 2.30 0.00 0.00 0.00 178.15 180.58 2a5d n ILE 107 N -4.99 0.59 1.40 -0.67 -6.64 -0.64 -1.84 119.36 106.57 2a5d n ILE 107 Ca -0.09 -0.05 0.14 0.00 -1.77 0.00 0.00 62.75 60.98 2a5d n ILE 107 Cb 0.23 -0.76 0.54 0.00 -1.44 0.00 0.00 39.64 38.21 2a5d n ILE 107 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2a5d n ASN 108 N -2.05 0.81 -4.74 7.28 5.03 -0.85 -4.39 115.26 116.35 2a5d n ASN 108 Ca 0.05 -0.87 -0.41 0.00 0.87 0.00 0.00 54.58 54.22 2a5d n ASN 108 Cb 0.34 0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 39.08 2a5d n ASN 108 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2a5d s ASP 109 N -2.37 7.04 0.47 6.41 2.15 -0.76 -4.91 116.67 124.70 2a5d s ASP 109 Ca 0.30 2.30 0.17 0.00 0.43 0.00 0.00 52.55 55.75 2a5d s ASP 109 Cb 0.20 -2.61 1.16 0.00 -0.30 0.00 0.00 42.92 41.37 2a5d s ASP 109 CO 0.46 -0.40 2.02 0.08 -0.17 0.00 0.00 175.17 177.15 2a5d h ARG 110 N 5.12 0.23 0.00 4.34 0.11 -1.89 0.03 114.38 122.32 2a5d h ARG 110 Ca -0.45 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2a5d h ARG 110 Cb 1.21 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.24 2a5d h ARG 110 CO 0.74 0.15 0.00 0.39 0.10 0.00 0.00 179.97 181.35 2a5d n GLU 111 N -4.46 0.09 -0.09 0.08 -0.58 -1.26 -3.08 120.64 111.35 2a5d n GLU 111 Ca 0.07 0.27 0.07 0.00 -0.42 0.00 0.00 57.16 57.15 2a5d n GLU 111 Cb 0.37 -1.65 0.11 0.00 -0.57 0.00 0.00 31.44 29.69 2a5d n GLU 111 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2a5d n MET 112 N -1.82 1.68 -0.29 3.49 2.81 -0.01 -4.71 117.12 118.26 2a5d n MET 112 Ca 0.04 -1.65 0.06 0.00 -1.81 0.00 0.00 57.70 54.34 2a5d n MET 112 Cb 0.23 -1.28 0.28 0.00 -0.71 0.00 0.00 33.22 31.74 2a5d n MET 112 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2a5d h ARG 113 N 2.49 0.90 -0.00 0.03 0.11 -1.48 -2.31 114.38 114.12 2a5d h ARG 113 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2a5d h ARG 113 Cb 0.64 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2a5d h ARG 113 CO 0.00 0.60 -0.42 -0.25 0.10 0.00 0.00 179.97 180.00 2a5d n ASP 114 N -4.52 0.64 -4.72 0.08 8.00 -1.26 -4.84 116.55 109.92 2a5d n ASP 114 Ca 0.15 -0.42 -0.42 0.00 0.71 0.00 0.00 54.79 54.81 2a5d n ASP 114 Cb 0.28 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 2a5d n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a5d s ALA 115 N -2.85 3.54 0.67 2.24 0.00 -0.87 -4.96 121.76 119.53 2a5d s ALA 115 Ca 0.15 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 2a5d s ALA 115 Cb 0.18 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2a5d s ALA 115 CO 0.64 -0.56 1.05 0.96 0.00 0.00 0.00 175.76 177.85 2a5d s ILE 116 N 0.95 4.16 -0.18 0.00 -4.36 -1.15 -4.76 121.20 115.86 2a5d s ILE 116 Ca 0.62 0.72 -0.00 0.00 -0.26 0.00 0.00 60.65 61.73 2a5d s ILE 116 Cb -0.35 -3.50 0.04 0.00 1.25 0.00 0.00 42.46 39.90 2a5d s ILE 116 CO 0.31 -0.90 -0.05 -0.63 0.24 0.00 0.00 174.94 173.91 2a5d s ILE 117 N -3.04 1.14 -0.27 8.37 1.01 -0.70 -0.38 121.20 127.33 2a5d s ILE 117 Ca 0.58 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 60.42 2a5d s ILE 117 Cb -0.13 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 2a5d s ILE 117 CO 0.54 0.09 0.14 -0.22 0.00 0.00 0.00 174.94 175.49 2a5d s LEU 118 N 1.61 3.84 -0.27 2.97 2.96 0.18 -1.37 118.68 128.60 2a5d s LEU 118 Ca -0.00 -0.14 -0.14 0.00 -0.22 0.00 0.00 54.13 53.63 2a5d s LEU 118 Cb -0.16 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2a5d s LEU 118 CO -0.08 -0.06 0.31 -0.63 -1.32 0.00 0.00 176.35 174.57 2a5d s ILE 119 N 1.69 5.22 -0.42 6.68 -1.09 0.27 -0.86 121.20 132.70 2a5d s ILE 119 Ca 0.07 0.45 -0.22 0.00 -2.23 0.00 0.00 60.65 58.71 2a5d s ILE 119 Cb -0.16 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.10 2a5d s ILE 119 CO 0.08 0.20 0.73 -0.36 -1.23 0.00 0.00 174.94 174.36 2a5d s PHE 120 N 1.87 3.05 -1.23 3.97 2.99 -0.50 -0.43 117.98 127.69 2a5d s PHE 120 Ca 0.13 0.20 -0.17 0.00 0.00 0.00 0.00 56.93 57.09 2a5d s PHE 120 Cb -0.16 -3.48 0.11 0.00 0.00 0.00 0.00 43.02 39.49 2a5d s PHE 120 CO 0.10 -0.87 1.58 0.00 -0.00 0.00 0.00 175.22 176.03 2a5d s ALA 121 N 3.08 3.53 0.53 5.36 0.00 0.17 -1.51 121.76 132.92 2a5d s ALA 121 Ca 0.28 -3.03 -0.07 0.00 0.00 0.00 0.00 51.96 49.13 2a5d s ALA 121 Cb -0.13 -4.43 -0.04 0.00 0.00 0.00 0.00 23.12 18.53 2a5d s ALA 121 CO 0.20 -3.11 0.87 1.21 0.00 0.00 0.00 175.76 174.93 2a5d s ASN 122 N 3.74 6.23 -0.67 0.00 2.47 -0.12 -1.92 114.94 124.66 2a5d s ASN 122 Ca 0.48 1.09 -0.04 0.00 0.42 0.00 0.00 52.86 54.81 2a5d s ASN 122 Cb 0.01 -2.31 0.00 0.00 -1.45 0.00 0.00 41.25 37.51 2a5d s ASN 122 CO 0.03 -0.70 0.59 0.29 -3.72 0.00 0.00 177.10 173.60 2a5d n LYS 123 N -2.44 -3.97 0.24 0.43 5.02 -0.73 -0.85 118.16 115.86 2a5d n LYS 123 Ca 0.03 0.41 0.16 0.00 -2.02 0.00 0.00 58.31 56.89 2a5d n LYS 123 Cb 0.55 -4.19 0.78 0.00 -0.02 0.00 0.00 35.03 32.15 2a5d n LYS 123 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2a5d h GLN 124 N -1.34 0.00 0.00 1.97 1.08 -1.60 -2.03 115.11 113.19 2a5d h GLN 124 Ca -0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 2a5d h GLN 124 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 2a5d h GLN 124 CO 0.28 0.00 0.00 0.38 -0.95 0.00 0.00 178.83 178.54 2a5d h ASP 125 N 0.00 0.00 -3.94 1.46 -0.00 -1.92 -3.46 116.42 108.56 2a5d h ASP 125 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 57.03 56.56 2a5d h ASP 125 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.52 2a5d h ASP 125 CO 0.00 0.00 0.36 -0.76 -0.00 0.00 0.00 179.24 178.84 2a5d s LEU 126 N -5.72 4.20 0.00 0.15 1.43 -0.76 -4.99 118.68 113.00 2a5d s LEU 126 Ca 0.02 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 2a5d s LEU 126 Cb 0.09 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 42.14 2a5d s LEU 126 CO 0.51 -0.25 0.88 -2.65 0.23 0.00 0.00 176.35 175.07 2a5d n PRO 127 N 0.14 0.00 -0.79 1.29 -0.02 -1.26 -2.19 135.00 132.17 2a5d n PRO 127 Ca 0.04 0.82 -0.14 0.00 -2.02 0.00 0.00 63.50 62.20 2a5d n PRO 127 Cb 0.51 -1.38 0.13 0.00 -0.02 0.00 0.00 33.50 32.74 2a5d n PRO 127 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2a5d n ASP 128 N -2.42 3.54 -4.73 2.55 5.75 -1.26 -4.98 116.55 115.00 2a5d n ASP 128 Ca 0.00 -3.02 -0.42 0.00 -0.01 0.00 0.00 54.79 51.34 2a5d n ASP 128 Cb 0.00 -0.71 -0.01 0.00 -1.03 0.00 0.00 41.12 39.36 2a5d n ASP 128 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a5d n ALA 129 N -0.50 1.99 -1.90 2.12 0.00 -0.93 -4.89 120.51 116.40 2a5d n ALA 129 Ca 0.38 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.77 2a5d n ALA 129 Cb 1.24 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 2a5d n ALA 129 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2a5d s MET 130 N -1.15 4.36 0.57 0.00 1.00 0.29 -4.96 119.30 119.41 2a5d s MET 130 Ca 0.60 2.15 -0.02 0.00 0.00 0.00 0.00 55.69 58.43 2a5d s MET 130 Cb -0.53 -3.14 0.03 0.00 0.00 0.00 0.00 34.83 31.19 2a5d s MET 130 CO 0.55 -0.25 0.82 0.15 0.00 0.00 0.00 175.02 176.29 2a5d s LYS 131 N -0.68 2.62 0.28 2.03 1.02 -1.26 -4.82 119.74 118.92 2a5d s LYS 131 Ca 0.55 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 56.04 2a5d s LYS 131 Cb -0.38 -2.40 0.64 0.00 -0.52 0.00 0.00 37.83 35.16 2a5d s LYS 131 CO 0.43 -0.74 1.73 -1.35 -0.92 0.00 0.00 175.35 174.51 2a5d h PRO 132 N -0.04 0.51 -0.24 -1.68 0.11 -1.94 -0.73 132.00 127.98 2a5d h PRO 132 Ca -0.44 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.66 2a5d h PRO 132 Cb 1.29 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2a5d h PRO 132 CO 0.56 0.34 0.11 1.25 -0.21 0.00 0.00 178.00 180.04 2a5d h HIS 133 N 0.52 0.20 -0.28 0.65 -0.00 -1.97 0.13 115.15 114.40 2a5d h HIS 133 Ca 0.52 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.89 2a5d h HIS 133 Cb 0.87 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.21 2a5d h HIS 133 CO -0.11 0.11 0.15 1.49 -0.00 0.00 0.00 177.93 179.57 2a5d h GLU 134 N 0.24 0.40 -0.81 5.26 4.81 -1.69 -2.38 114.58 120.41 2a5d h GLU 134 Ca 0.10 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 2a5d h GLU 134 Cb 0.04 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.27 2a5d h GLU 134 CO -0.08 0.37 0.46 0.82 -0.73 0.00 0.00 179.01 179.86 2a5d h ILE 135 N 0.33 0.94 -0.78 2.32 1.08 -0.82 0.12 117.51 120.70 2a5d h ILE 135 Ca 0.10 -0.27 -0.04 0.00 -0.39 0.00 0.00 64.86 64.25 2a5d h ILE 135 Cb 0.09 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 33.87 2a5d h ILE 135 CO -0.01 0.15 0.32 -0.61 -0.69 0.00 0.00 178.15 177.30 2a5d h GLN 136 N 0.80 1.16 -0.08 2.37 4.15 -0.32 -0.78 115.11 122.41 2a5d h GLN 136 Ca 0.38 -0.21 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 2a5d h GLN 136 Cb 0.31 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2a5d h GLN 136 CO -0.23 0.94 -0.28 0.93 -1.93 0.00 0.00 178.83 178.26 2a5d h GLU 137 N 1.13 0.33 0.00 1.69 4.39 -0.90 -2.45 114.58 118.77 2a5d h GLU 137 Ca 0.26 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2a5d h GLU 137 Cb 0.21 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2a5d h GLU 137 CO -0.02 0.88 0.00 0.87 -1.16 0.00 0.00 179.01 179.58 2a5d h LYS 138 N -0.16 0.00 -0.02 2.33 1.57 -0.65 -2.26 116.57 117.39 2a5d h LYS 138 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2a5d h LYS 138 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2a5d h LYS 138 CO 0.06 0.00 -0.23 1.28 -0.57 0.00 0.00 179.45 179.99 2a5d n LEU 139 N -2.80 1.85 -2.62 2.94 4.77 -0.31 -4.67 117.00 116.14 2a5d n LEU 139 Ca 0.01 -0.62 -0.17 0.00 -0.03 0.00 0.00 56.01 55.20 2a5d n LEU 139 Cb 0.27 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 2a5d n LEU 139 CO 0.24 0.33 0.12 0.61 -1.33 0.00 0.00 177.39 177.36 2a5d n GLY 140 N 1.34 -0.18 0.19 -0.72 0.00 -0.85 -4.88 105.19 100.09 2a5d n GLY 140 Ca 0.13 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.17 2a5d n GLY 140 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2a5d h LEU 141 N -1.67 0.00 0.00 0.99 3.38 -1.70 -2.39 115.31 113.92 2a5d h LEU 141 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2a5d h LEU 141 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2a5d h LEU 141 CO 0.42 0.38 0.00 0.35 0.09 0.00 0.00 178.44 179.68 2a5d n THR 142 N -3.76 0.78 1.27 0.22 -2.24 -1.26 -1.17 114.28 108.11 2a5d n THR 142 Ca -0.01 0.19 0.14 0.00 -2.27 0.00 0.00 64.05 62.10 2a5d n THR 142 Cb 0.46 -0.97 0.61 0.00 -2.10 0.00 0.00 70.33 68.33 2a5d n THR 142 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2a5d n ARG 143 N -1.35 0.38 -3.11 -0.78 1.74 -0.90 -4.54 116.66 108.09 2a5d n ARG 143 Ca 0.05 -0.09 -0.45 0.00 -0.77 0.00 0.00 57.85 56.60 2a5d n ARG 143 Cb 0.12 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.02 2a5d n ARG 143 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2a5d s ILE 144 N -2.68 4.82 -0.38 0.55 1.01 -0.32 -4.90 121.20 119.30 2a5d s ILE 144 Ca 0.23 -0.95 0.14 0.00 0.00 0.00 0.00 60.65 60.08 2a5d s ILE 144 Cb 0.20 -4.48 0.41 0.00 0.01 0.00 0.00 42.46 38.60 2a5d s ILE 144 CO 0.51 -1.10 1.32 0.54 0.00 0.00 0.00 174.94 176.21 2a5d n ARG 145 N 6.33 2.75 0.00 2.79 5.12 -1.26 -4.70 116.66 127.69 2a5d n ARG 145 Ca -0.09 -2.51 0.00 0.00 -1.93 0.00 0.00 57.85 53.32 2a5d n ARG 145 Cb 0.43 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 2a5d n ARG 145 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2a5d n ASP 146 N -0.31 1.22 -3.62 0.55 3.85 -1.26 -5.05 116.55 111.92 2a5d n ASP 146 Ca 0.17 -1.59 -0.10 0.00 -0.71 0.00 0.00 54.79 52.55 2a5d n ASP 146 Cb 0.69 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.43 2a5d n ASP 146 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2a5d s ARG 147 N -0.59 1.23 0.42 0.11 1.70 -1.26 -5.00 118.95 115.57 2a5d s ARG 147 Ca 0.00 -0.71 -0.21 0.00 -0.47 0.00 0.00 55.73 54.34 2a5d s ARG 147 Cb 0.00 0.52 -0.11 0.00 -0.57 0.00 0.00 34.95 34.79 2a5d s ARG 147 CO 0.00 -0.51 0.94 -0.80 -1.08 0.00 0.00 175.30 173.85 2a5d s ASN 148 N -2.82 6.94 0.05 -2.89 0.02 -1.26 -4.98 114.94 110.00 2a5d s ASN 148 Ca 0.05 1.67 -0.14 0.00 -1.02 0.00 0.00 52.86 53.42 2a5d s ASN 148 Cb 0.00 -2.53 0.02 0.00 0.02 0.00 0.00 41.25 38.76 2a5d s ASN 148 CO -0.09 -0.35 0.31 -1.66 0.02 0.00 0.00 177.10 175.33 2a5d s TRP 149 N -2.16 -0.10 -0.20 2.20 1.48 -1.26 -1.72 118.94 117.19 2a5d s TRP 149 Ca 0.61 -0.07 -0.17 0.00 -1.06 0.00 0.00 56.10 55.42 2a5d s TRP 149 Cb -0.09 0.10 0.05 0.00 -1.16 0.00 0.00 33.47 32.37 2a5d s TRP 149 CO 0.13 -0.52 0.51 -0.47 -4.06 0.00 0.00 176.95 172.54 2a5d s TYR 150 N -2.75 -0.60 -0.31 1.66 5.04 -0.47 -4.99 117.35 114.93 2a5d s TYR 150 Ca -0.04 1.41 -0.10 0.00 -2.44 0.00 0.00 57.07 55.91 2a5d s TYR 150 Cb -0.00 0.23 -0.01 0.00 0.35 0.00 0.00 41.96 42.53 2a5d s TYR 150 CO -0.05 -0.30 0.16 0.08 -1.34 0.00 0.00 175.55 174.10 2a5d s VAL 151 N 0.50 4.68 -0.25 3.14 1.01 -1.26 -0.56 120.40 127.65 2a5d s VAL 151 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 2a5d s VAL 151 Cb -0.04 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.99 2a5d s VAL 151 CO -0.02 0.09 -0.03 -1.58 0.00 0.00 0.00 175.10 173.56 2a5d s GLN 152 N 1.63 3.00 0.48 2.72 2.00 0.43 -4.96 119.66 124.96 2a5d s GLN 152 Ca 0.05 -0.88 -0.23 0.00 -2.00 0.00 0.00 55.36 52.30 2a5d s GLN 152 Cb -0.17 -3.07 -0.07 0.00 0.80 0.00 0.00 33.01 30.50 2a5d s GLN 152 CO 0.07 -0.37 1.26 -1.25 -0.50 0.00 0.00 175.29 174.50 2a5d s PRO 153 N 1.39 3.58 0.04 1.67 0.04 -1.26 -0.66 135.00 139.81 2a5d s PRO 153 Ca 0.02 2.00 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 2a5d s PRO 153 Cb -0.16 -2.42 0.03 0.00 0.04 0.00 0.00 34.50 31.99 2a5d s PRO 153 CO -0.03 -0.76 0.35 -1.54 0.04 0.00 0.00 177.00 175.06 2a5d s SER 154 N -1.11 -0.19 -0.28 6.66 1.04 -0.81 -4.32 113.70 114.70 2a5d s SER 154 Ca 0.65 -0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.96 2a5d s SER 154 Cb -0.34 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.24 2a5d s SER 154 CO 0.42 -0.63 0.04 0.00 0.98 0.00 0.00 173.24 174.05 2a5d h ALA 156 N 8.02 1.28 -0.50 0.00 0.00 -1.91 0.11 119.26 126.26 2a5d h ALA 156 Ca -0.14 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2a5d h ALA 156 Cb 1.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2a5d h ALA 156 CO 0.44 0.48 -0.04 1.79 0.00 0.00 0.00 179.25 181.92 2a5d h THR 157 N 0.32 1.26 0.00 0.00 1.35 -1.95 -2.90 112.91 110.99 2a5d h THR 157 Ca 0.05 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2a5d h THR 157 Cb 0.55 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 2a5d h THR 157 CO 0.04 0.39 -0.94 -1.54 -0.25 0.00 0.00 175.52 173.22 2a5d n SER 158 N -4.18 0.65 0.00 5.36 3.41 -1.03 -4.75 113.62 113.07 2a5d n SER 158 Ca 0.02 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2a5d n SER 158 Cb 0.34 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 2a5d n SER 158 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a5d n GLY 159 N 1.41 1.78 3.67 5.00 0.00 0.35 -5.03 105.19 112.37 2a5d n GLY 159 Ca 0.03 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.58 2a5d n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a5d n ASP 160 N 0.00 3.14 0.00 1.61 10.43 -0.90 -2.35 116.55 128.48 2a5d n ASP 160 Ca 0.00 1.05 0.00 0.00 2.57 0.00 0.00 54.79 58.41 2a5d n ASP 160 Cb 0.00 -1.40 0.00 0.00 1.84 0.00 0.00 41.12 41.56 2a5d n ASP 160 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2a5d n GLY 161 N 3.69 2.65 0.10 0.44 0.00 -1.26 -1.11 105.19 109.70 2a5d n GLY 161 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2a5d n GLY 161 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2a5d h LEU 162 N 0.00 0.21 -0.93 0.99 3.38 -1.76 -1.20 115.31 116.00 2a5d h LEU 162 Ca 0.00 -0.54 -0.11 0.00 0.09 0.00 0.00 57.88 57.32 2a5d h LEU 162 Cb 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2a5d h LEU 162 CO 0.00 0.71 -0.50 1.88 0.09 0.00 0.00 178.44 180.63 2a5d h TYR 163 N -0.28 0.10 -0.54 1.13 -1.99 -1.92 -2.01 116.97 111.47 2a5d h TYR 163 Ca 0.01 -0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.72 2a5d h TYR 163 Cb 0.67 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.35 2a5d h TYR 163 CO 0.11 0.57 0.34 0.93 -0.00 0.00 0.00 178.16 180.11 2a5d h GLU 164 N 0.07 0.68 -0.37 4.88 3.07 -1.91 -0.01 114.58 120.99 2a5d h GLU 164 Ca 0.00 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2a5d h GLU 164 Cb 0.90 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.64 2a5d h GLU 164 CO 0.07 0.45 0.21 0.78 -1.40 0.00 0.00 179.01 179.11 2a5d h GLY 165 N 0.70 0.51 1.41 -3.84 0.00 -0.90 -1.72 103.07 99.22 2a5d h GLY 165 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2a5d h GLY 165 CO -0.06 0.13 0.14 1.41 0.00 0.00 0.00 176.54 178.16 2a5d h LEU 166 N 0.42 0.69 -0.82 3.11 3.38 -1.02 -1.57 115.31 119.51 2a5d h LEU 166 Ca 0.15 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2a5d h LEU 166 Cb 0.02 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 2a5d h LEU 166 CO -0.08 0.68 0.51 0.74 0.09 0.00 0.00 178.44 180.38 2a5d h THR 167 N 0.73 1.07 -0.54 0.22 2.02 -0.75 -0.64 112.91 115.02 2a5d h THR 167 Ca 0.17 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 2a5d h THR 167 Cb 0.25 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2a5d h THR 167 CO -0.01 0.17 0.17 -0.25 0.37 0.00 0.00 175.52 175.97 2a5d h TRP 168 N 0.96 0.86 -0.02 3.16 7.01 -0.38 -0.42 115.95 127.13 2a5d h TRP 168 Ca 0.35 -0.09 0.03 0.00 2.11 0.00 0.00 58.89 61.29 2a5d h TRP 168 Cb 0.11 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.88 2a5d h TRP 168 CO -0.03 0.74 -0.18 -0.07 -2.79 0.00 0.00 178.44 176.10 2a5d h LEU 169 N 0.74 -0.53 -0.45 0.65 4.07 -1.10 -1.89 115.31 116.81 2a5d h LEU 169 Ca 0.17 0.08 0.09 0.00 0.08 0.00 0.00 57.88 58.30 2a5d h LEU 169 Cb 0.28 0.23 -0.08 0.00 1.08 0.00 0.00 40.66 42.17 2a5d h LEU 169 CO -0.01 -0.24 -0.05 0.74 -1.08 0.00 0.00 178.44 177.80 2a5d h THR 170 N -0.29 0.61 0.00 0.22 2.02 -0.84 -2.35 112.91 112.29 2a5d h THR 170 Ca 0.06 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2a5d h THR 170 Cb 0.37 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2a5d h THR 170 CO -0.18 0.01 0.00 0.28 0.37 0.00 0.00 175.52 176.00 2a5d h SER 171 N 0.06 0.00 -0.06 4.18 0.02 -0.72 -3.30 113.55 113.73 2a5d h SER 171 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2a5d h SER 171 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2a5d h SER 171 CO -0.41 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 175.87 2a5d n ASN 172 N -3.04 1.84 -4.50 3.07 3.02 -0.74 -4.95 115.26 109.96 2a5d n ASN 172 Ca -0.00 -1.61 -0.33 0.00 -0.03 0.00 0.00 54.58 52.60 2a5d n ASN 172 Cb 0.25 -0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 39.25 2a5d n ASN 172 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2a5d s TYR 173 N -0.68 2.82 0.00 3.10 6.14 -1.02 -4.99 117.35 122.72 2a5d s TYR 173 Ca 0.06 -0.17 0.00 0.00 0.64 0.00 0.00 57.07 57.60 2a5d s TYR 173 Cb 0.03 -1.71 0.00 0.00 0.42 0.00 0.00 41.96 40.71 2a5d s TYR 173 CO 0.05 0.17 0.00 1.63 0.64 0.00 0.00 175.55 178.04