#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b9i s MET 53 N 2.01 0.76 0.04 0.00 1.75 -1.26 -1.56 119.30 121.04 3b9i s MET 53 Ca 0.04 0.79 0.01 0.00 -1.25 0.00 0.00 55.69 55.28 3b9i s MET 53 Cb -0.13 0.37 -0.03 0.00 2.84 0.00 0.00 34.83 37.88 3b9i s MET 53 CO -0.05 -0.11 -0.06 0.14 -0.65 0.00 0.00 175.02 174.29 3b9i s VAL 54 N 0.14 0.39 -0.09 10.11 -7.23 -0.77 -1.46 120.40 121.50 3b9i s VAL 54 Ca -0.01 -1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 58.88 3b9i s VAL 54 Cb -0.04 -0.76 0.05 0.00 0.56 0.00 0.00 36.38 36.19 3b9i s VAL 54 CO 0.02 -0.56 0.17 -0.75 -0.31 0.00 0.00 175.10 173.66 3b9i s LYS 55 N -2.14 0.05 -0.28 4.82 2.20 0.10 -3.15 119.74 121.33 3b9i s LYS 55 Ca -0.07 0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 55.97 3b9i s LYS 55 Cb -0.06 -0.35 -0.05 0.00 -1.51 0.00 0.00 37.83 35.86 3b9i s LYS 55 CO -0.02 -0.33 0.18 0.12 -0.36 0.00 0.00 175.35 174.93 3b9i s PHE 56 N 2.30 3.21 -0.27 4.03 5.36 0.55 0.15 117.98 133.31 3b9i s PHE 56 Ca 0.03 0.07 -0.12 0.00 -0.96 0.00 0.00 56.93 55.95 3b9i s PHE 56 Cb -0.12 -2.36 -0.05 0.00 -0.34 0.00 0.00 43.02 40.15 3b9i s PHE 56 CO -0.06 -0.18 0.25 -1.21 -1.46 0.00 0.00 175.22 172.56 3b9i s GLU 57 N 1.73 3.99 0.42 10.12 0.41 -0.84 -1.83 118.70 132.69 3b9i s GLU 57 Ca 0.07 -0.18 0.20 0.00 -0.41 0.00 0.00 54.97 54.64 3b9i s GLU 57 Cb -0.16 -3.65 0.92 0.00 -1.78 0.00 0.00 34.13 29.47 3b9i s GLU 57 CO 0.10 -0.19 1.86 1.25 -0.49 0.00 0.00 175.26 177.79 3b9i h LEU 58 N 8.36 0.00 -0.44 1.80 5.85 -1.25 0.06 115.31 129.68 3b9i h LEU 58 Ca -0.34 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.42 3b9i h LEU 58 Cb 1.18 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3b9i h LEU 58 CO 0.59 0.29 0.22 0.77 -0.34 0.00 0.00 178.44 179.97 3b9i h SER 59 N 0.00 0.31 0.00 1.25 4.64 -1.67 -3.11 113.55 114.97 3b9i h SER 59 Ca -0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3b9i h SER 59 Cb 0.66 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3b9i h SER 59 CO 0.04 0.22 -1.34 -1.54 -0.87 0.00 0.00 176.83 173.34 3b9i n SER 60 N -4.91 0.75 -2.31 4.97 3.41 -1.16 -4.97 113.62 109.40 3b9i n SER 60 Ca 0.03 -0.51 -0.18 0.00 -0.26 0.00 0.00 58.87 57.95 3b9i n SER 60 Cb 0.12 1.41 0.01 0.00 -0.26 0.00 0.00 64.21 65.49 3b9i n SER 60 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3b9i n SER 61 N -1.78 -5.25 -4.47 4.04 7.64 -0.00 -5.01 113.62 108.78 3b9i n SER 61 Ca 0.00 -0.15 -0.30 0.00 1.01 0.00 0.00 58.87 59.43 3b9i n SER 61 Cb 0.39 -4.20 -0.12 0.00 -1.01 0.00 0.00 64.21 59.27 3b9i n SER 61 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3b9i s LYS 62 N -5.24 1.97 0.02 1.43 -0.14 -1.20 -4.88 119.74 111.70 3b9i s LYS 62 Ca 0.15 -1.06 -0.15 0.00 -1.36 0.00 0.00 55.97 53.55 3b9i s LYS 62 Cb -0.07 -2.17 -0.06 0.00 -1.68 0.00 0.00 37.83 33.86 3b9i s LYS 62 CO 0.18 0.52 0.44 -1.58 -0.76 0.00 0.00 175.35 174.15 3b9i s TRP 63 N -1.02 3.74 -0.06 3.18 0.52 -1.26 -2.00 118.94 122.04 3b9i s TRP 63 Ca 0.16 1.04 0.02 0.00 0.02 0.00 0.00 56.10 57.34 3b9i s TRP 63 Cb -0.11 -2.32 -0.03 0.00 -1.15 0.00 0.00 33.47 29.86 3b9i s TRP 63 CO 0.07 0.63 -0.09 -1.01 0.02 0.00 0.00 176.95 176.57 3b9i s HIS 64 N -1.10 2.87 0.03 -1.98 3.76 0.12 -4.93 115.29 114.07 3b9i s HIS 64 Ca 0.25 -0.04 -0.02 0.00 -0.15 0.00 0.00 55.06 55.10 3b9i s HIS 64 Cb -0.17 -1.69 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 3b9i s HIS 64 CO 0.15 0.28 0.02 -1.64 -0.85 0.00 0.00 174.74 172.69 3b9i s MET 65 N -0.75 0.48 0.31 1.40 1.00 -1.26 0.03 119.30 120.50 3b9i s MET 65 Ca 0.12 -0.79 -0.01 0.00 0.00 0.00 0.00 55.69 55.01 3b9i s MET 65 Cb -0.11 0.18 0.50 0.00 0.00 0.00 0.00 34.83 35.39 3b9i s MET 65 CO 0.01 -0.10 1.98 1.79 0.00 0.00 0.00 175.02 178.70 3b9i h THR 66 N 3.97 1.19 -4.28 2.05 1.35 -1.60 -3.45 112.91 112.14 3b9i h THR 66 Ca -0.33 -0.36 -0.27 0.00 -0.55 0.00 0.00 66.41 64.91 3b9i h THR 66 Cb 1.18 0.05 -0.15 0.00 -1.73 0.00 0.00 68.15 67.51 3b9i h THR 66 CO 0.50 0.19 -0.63 -0.94 -0.25 0.00 0.00 175.52 174.40 3b9i s SER 67 N -6.33 0.54 0.36 5.36 1.04 -1.26 -5.05 113.70 108.36 3b9i s SER 67 Ca -0.11 -1.35 0.10 0.00 0.48 0.00 0.00 55.95 55.07 3b9i s SER 67 Cb 0.18 0.29 0.68 0.00 0.10 0.00 0.00 66.02 67.27 3b9i s SER 67 CO 0.79 -0.77 1.84 -0.65 0.98 0.00 0.00 173.24 175.42 3b9i h PRO 68 N 2.60 0.16 -2.34 4.02 0.11 -2.03 -3.34 132.00 131.18 3b9i h PRO 68 Ca -0.37 -0.05 -0.51 0.00 0.11 0.00 0.00 66.00 65.18 3b9i h PRO 68 Cb 1.24 -0.01 -0.36 0.00 0.11 0.00 0.00 31.00 31.97 3b9i h PRO 68 CO 0.57 0.43 -0.81 0.21 -0.21 0.00 0.00 178.00 178.19 3b9i s LYS 69 N -4.42 0.62 0.37 1.05 2.47 -1.26 -5.11 119.74 113.47 3b9i s LYS 69 Ca -0.04 -1.28 -0.28 0.00 -1.56 0.00 0.00 55.97 52.81 3b9i s LYS 69 Cb 0.15 -1.11 -0.10 0.00 -1.46 0.00 0.00 37.83 35.30 3b9i s LYS 69 CO 0.74 -1.23 1.39 -2.14 0.16 0.00 0.00 175.35 174.27 3b9i s PRO 70 N 1.05 4.17 0.38 4.03 0.02 -1.26 -4.91 135.00 138.49 3b9i s PRO 70 Ca 0.20 2.37 0.19 0.00 0.02 0.00 0.00 61.00 63.77 3b9i s PRO 70 Cb -0.17 -2.97 0.72 0.00 0.02 0.00 0.00 34.50 32.11 3b9i s PRO 70 CO -0.02 -0.40 1.76 1.12 -0.33 0.00 0.00 177.00 179.12 3b9i h HIS 71 N 3.08 0.00 0.00 6.54 2.07 -1.96 -3.32 115.15 121.56 3b9i h HIS 71 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 3b9i h HIS 71 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 3b9i h HIS 71 CO 0.54 0.36 -1.50 0.00 -3.07 0.00 0.00 177.93 174.26 3b9i s VAL 73 N -3.39 0.05 0.07 0.00 0.11 -1.25 -0.09 120.40 115.89 3b9i s VAL 73 Ca -0.03 -0.44 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 3b9i s VAL 73 Cb 0.13 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 3b9i s VAL 73 CO 0.86 -0.24 -0.01 0.20 -3.33 0.00 0.00 175.10 172.58 3b9i s ASN 74 N -1.21 4.99 0.19 3.54 0.01 0.27 -4.53 114.94 118.20 3b9i s ASN 74 Ca -0.13 -0.15 0.08 0.00 -0.71 0.00 0.00 52.86 51.95 3b9i s ASN 74 Cb -0.05 -1.20 -0.05 0.00 0.41 0.00 0.00 41.25 40.37 3b9i s ASN 74 CO 0.04 0.20 -0.15 0.42 -1.51 0.00 0.00 177.10 176.10 3b9i s THR 75 N -1.24 1.72 0.17 1.60 -4.23 -1.26 -0.68 115.64 111.71 3b9i s THR 75 Ca 0.24 -2.15 0.09 0.00 -1.18 0.00 0.00 61.69 58.69 3b9i s THR 75 Cb -0.12 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 3b9i s THR 75 CO 0.16 -0.55 -0.20 0.42 -0.54 0.00 0.00 174.62 173.91 3b9i s THR 76 N -2.82 1.94 -1.32 3.99 -4.23 -0.20 -4.97 115.64 108.03 3b9i s THR 76 Ca 0.21 -1.93 0.21 0.00 -1.18 0.00 0.00 61.69 59.00 3b9i s THR 76 Cb -0.02 -1.90 0.33 0.00 1.34 0.00 0.00 72.50 72.25 3b9i s THR 76 CO 0.06 -0.26 1.69 -1.54 -0.54 0.00 0.00 174.62 174.04 3b9i n SER 77 N 0.32 0.00 -0.79 3.99 3.41 -1.26 -1.58 113.62 117.70 3b9i n SER 77 Ca -0.13 0.11 0.10 0.00 -0.26 0.00 0.00 58.87 58.69 3b9i n SER 77 Cb 0.57 -0.34 0.29 0.00 -0.26 0.00 0.00 64.21 64.47 3b9i n SER 77 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3b9i n ASP 78 N -1.34 2.37 0.00 4.04 5.75 -1.26 -4.86 116.55 121.24 3b9i n ASP 78 Ca 0.09 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 3b9i n ASP 78 Cb 0.19 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3b9i n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3b9i n GLY 79 N 1.26 0.71 3.95 6.12 0.00 -0.61 -5.05 105.19 111.58 3b9i n GLY 79 Ca 0.17 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 3b9i n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b9i s LYS 80 N -0.88 3.39 0.05 1.61 1.02 -1.25 -4.76 119.74 118.94 3b9i s LYS 80 Ca 0.00 -0.49 0.06 0.00 0.02 0.00 0.00 55.97 55.56 3b9i s LYS 80 Cb 0.00 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 3b9i s LYS 80 CO 0.00 0.14 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.90 3b9i s LEU 81 N -4.27 2.21 -0.12 3.17 1.43 -0.22 -1.03 118.68 119.84 3b9i s LEU 81 Ca 0.40 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3b9i s LEU 81 Cb -0.10 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 3b9i s LEU 81 CO 0.35 0.03 -0.12 -0.75 0.23 0.00 0.00 176.35 176.08 3b9i s LYS 82 N -1.38 3.30 -0.17 1.70 2.20 0.14 -0.75 119.74 124.78 3b9i s LYS 82 Ca 0.02 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 54.67 3b9i s LYS 82 Cb -0.09 -2.63 -0.00 0.00 -1.51 0.00 0.00 37.83 33.60 3b9i s LYS 82 CO 0.02 0.27 1.01 0.42 -0.36 0.00 0.00 175.35 176.71 3b9i s ILE 83 N 0.21 4.74 -0.19 5.43 -1.09 0.15 -0.57 121.20 129.88 3b9i s ILE 83 Ca -0.08 2.01 0.18 0.00 -2.23 0.00 0.00 60.65 60.54 3b9i s ILE 83 Cb -0.15 -4.30 -0.25 0.00 -1.58 0.00 0.00 42.46 36.18 3b9i s ILE 83 CO 0.05 -0.09 0.11 0.18 -1.23 0.00 0.00 174.94 173.97 3b9i n LEU 84 N 5.68 0.05 -4.21 2.97 4.77 0.87 0.72 117.00 127.85 3b9i n LEU 84 Ca 0.10 0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.76 3b9i n LEU 84 Cb 0.47 0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 41.89 3b9i n LEU 84 CO 0.52 0.48 -0.43 -1.58 -1.33 0.00 0.00 177.39 175.05 3b9i s GLN 85 N -2.52 3.00 0.35 3.23 0.74 -0.93 -4.59 119.66 118.95 3b9i s GLN 85 Ca -0.10 -0.86 -0.28 0.00 0.05 0.00 0.00 55.36 54.18 3b9i s GLN 85 Cb 0.06 -2.90 -0.12 0.00 1.10 0.00 0.00 33.01 31.16 3b9i s GLN 85 CO 0.83 -0.31 1.34 0.43 -0.55 0.00 0.00 175.29 177.04 3b9i n SER 86 N 4.69 3.04 0.00 6.67 7.64 -1.26 -4.57 113.62 129.82 3b9i n SER 86 Ca -0.18 1.21 0.00 0.00 1.01 0.00 0.00 58.87 60.91 3b9i n SER 86 Cb 0.49 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 3b9i n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3b9i n GLY 87 N 0.68 -1.37 3.65 0.23 0.00 -0.05 -4.91 105.19 103.42 3b9i n GLY 87 Ca 0.04 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 3b9i n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b9i s THR 88 N -2.98 5.09 0.06 2.61 2.01 -1.26 -1.20 115.64 119.97 3b9i s THR 88 Ca 0.00 0.92 0.09 0.00 0.31 0.00 0.00 61.69 63.02 3b9i s THR 88 Cb 0.00 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 3b9i s THR 88 CO 0.00 0.15 -0.26 -0.31 -0.69 0.00 0.00 174.62 173.51 3b9i s TYR 89 N 1.87 2.27 -0.38 4.92 2.02 -0.35 0.14 117.35 127.85 3b9i s TYR 89 Ca 0.23 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.41 3b9i s TYR 89 Cb -0.15 -1.34 0.02 0.00 -0.40 0.00 0.00 41.96 40.09 3b9i s TYR 89 CO 0.09 0.16 0.22 -1.17 -1.57 0.00 0.00 175.55 173.28 3b9i s LEU 90 N -1.39 4.75 -0.08 -1.29 2.96 0.24 -1.21 118.68 122.65 3b9i s LEU 90 Ca 0.12 -0.96 -0.24 0.00 -0.22 0.00 0.00 54.13 52.83 3b9i s LEU 90 Cb -0.10 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3b9i s LEU 90 CO 0.03 -0.39 0.71 -0.63 -1.32 0.00 0.00 176.35 174.75 3b9i s ILE 91 N 1.57 5.03 0.28 6.68 1.01 -0.73 -1.07 121.20 133.97 3b9i s ILE 91 Ca 0.03 1.45 0.03 0.00 0.00 0.00 0.00 60.65 62.15 3b9i s ILE 91 Cb -0.19 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3b9i s ILE 91 CO 0.07 0.23 0.16 -0.72 0.00 0.00 0.00 174.94 174.68 3b9i s TYR 92 N 0.94 1.52 0.00 3.97 -0.85 -0.58 -0.63 117.35 121.73 3b9i s TYR 92 Ca 0.37 -1.38 0.00 0.00 -0.52 0.00 0.00 57.07 55.54 3b9i s TYR 92 Cb -0.18 -0.79 0.00 0.00 0.38 0.00 0.00 41.96 41.38 3b9i s TYR 92 CO 0.18 -0.56 0.00 0.41 -1.52 0.00 0.00 175.55 174.06 3b9i n GLY 93 N -0.51 1.01 2.74 5.49 0.00 -1.21 -1.20 105.19 111.52 3b9i n GLY 93 Ca 0.02 -1.38 -0.17 0.00 0.00 0.00 0.00 46.02 44.49 3b9i n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3b9i s GLN 94 N -1.87 -0.05 -0.27 1.61 -0.21 0.66 -1.71 119.66 117.82 3b9i s GLN 94 Ca 0.00 0.28 -0.10 0.00 0.02 0.00 0.00 55.36 55.56 3b9i s GLN 94 Cb 0.00 -0.35 -0.05 0.00 1.00 0.00 0.00 33.01 33.61 3b9i s GLN 94 CO 0.00 -0.24 0.17 0.08 -2.12 0.00 0.00 175.29 173.18 3b9i s VAL 95 N 1.54 5.14 -0.36 1.09 1.01 0.16 -1.93 120.40 127.04 3b9i s VAL 95 Ca -0.03 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 3b9i s VAL 95 Cb -0.13 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 3b9i s VAL 95 CO -0.03 0.27 0.46 -0.63 0.00 0.00 0.00 175.10 175.17 3b9i s ILE 96 N 1.67 5.07 0.54 2.22 -1.09 -1.26 -1.08 121.20 127.26 3b9i s ILE 96 Ca 0.07 0.11 -0.17 0.00 -2.23 0.00 0.00 60.65 58.43 3b9i s ILE 96 Cb -0.16 -3.94 -0.06 0.00 -1.58 0.00 0.00 42.46 36.72 3b9i s ILE 96 CO 0.09 -0.23 1.03 -2.16 -1.23 0.00 0.00 174.94 172.44 3b9i s PRO 97 N 2.25 3.63 0.43 2.79 0.04 -1.26 -0.23 135.00 142.66 3b9i s PRO 97 Ca 0.15 1.16 -0.25 0.00 0.04 0.00 0.00 61.00 62.10 3b9i s PRO 97 Cb -0.16 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 3b9i s PRO 97 CO 0.13 -0.55 1.34 0.08 0.04 0.00 0.00 177.00 178.04 3b9i s VAL 98 N -2.40 2.44 0.23 -0.36 1.01 0.30 -4.58 120.40 117.04 3b9i s VAL 98 Ca 0.63 0.39 -0.31 0.00 0.00 0.00 0.00 61.98 62.68 3b9i s VAL 98 Cb -0.14 -3.22 -0.14 0.00 0.00 0.00 0.00 36.38 32.88 3b9i s VAL 98 CO 0.31 0.05 1.33 -0.67 0.00 0.00 0.00 175.10 176.11 3b9i n ASP 99 N -0.09 2.36 0.25 3.32 -0.08 -1.26 -4.87 116.55 116.17 3b9i n ASP 99 Ca 0.05 1.15 0.08 0.00 -1.51 0.00 0.00 54.79 54.55 3b9i n ASP 99 Cb 0.43 -1.37 0.60 0.00 2.34 0.00 0.00 41.12 43.12 3b9i n ASP 99 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3b9i h LYS 100 N 3.85 0.00 -0.02 -0.67 3.64 -1.92 -1.83 116.57 119.62 3b9i h LYS 100 Ca -0.44 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.94 3b9i h LYS 100 Cb 1.29 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3b9i h LYS 100 CO 0.73 0.09 0.06 1.57 -2.27 0.00 0.00 179.45 179.63 3b9i h LYS 101 N 0.00 0.00 -0.01 1.90 2.10 -1.99 -1.87 116.57 116.70 3b9i h LYS 101 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3b9i h LYS 101 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 3b9i h LYS 101 CO 0.01 0.00 -0.48 0.66 -2.00 0.00 0.00 179.45 177.64 3b9i n TYR 102 N -3.35 0.00 -3.33 0.07 4.01 -0.69 -4.74 117.16 109.14 3b9i n TYR 102 Ca -0.02 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.26 3b9i n TYR 102 Cb 0.14 -0.07 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 3b9i n TYR 102 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3b9i s ILE 103 N -2.63 5.17 -0.51 -0.72 -1.09 -0.71 -4.98 121.20 115.73 3b9i s ILE 103 Ca 0.18 -1.61 0.09 0.00 -2.23 0.00 0.00 60.65 57.08 3b9i s ILE 103 Cb 0.18 -4.31 0.52 0.00 -1.58 0.00 0.00 42.46 37.27 3b9i s ILE 103 CO 0.62 -0.88 1.30 0.29 -1.23 0.00 0.00 174.94 175.04 3b9i n LYS 104 N 5.11 3.45 -2.17 2.79 4.76 -1.26 -4.87 118.16 125.97 3b9i n LYS 104 Ca -0.11 -2.00 -0.02 0.00 -2.87 0.00 0.00 58.31 53.31 3b9i n LYS 104 Cb 0.41 -1.99 -0.00 0.00 -1.84 0.00 0.00 35.03 31.61 3b9i n LYS 104 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3b9i n ASP 105 N 0.37 1.53 -1.86 4.39 5.68 -1.26 -5.06 116.55 120.35 3b9i n ASP 105 Ca 0.18 -1.15 -0.20 0.00 -0.50 0.00 0.00 54.79 53.13 3b9i n ASP 105 Cb 0.87 0.05 0.15 0.00 -1.14 0.00 0.00 41.12 41.04 3b9i n ASP 105 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3b9i n ASN 106 N -1.52 4.26 -4.68 -1.12 6.94 -1.26 -4.97 115.26 112.91 3b9i n ASN 106 Ca -0.01 -3.73 -0.42 0.00 -0.02 0.00 0.00 54.58 50.40 3b9i n ASN 106 Cb 0.04 -0.75 -0.03 0.00 -2.36 0.00 0.00 39.78 36.69 3b9i n ASN 106 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3b9i s ALA 107 N -3.43 3.49 0.48 -2.53 0.00 -1.26 -5.02 121.76 113.50 3b9i s ALA 107 Ca 0.54 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.55 3b9i s ALA 107 Cb 0.45 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 20.08 3b9i s ALA 107 CO 0.04 -0.72 1.12 -1.25 0.00 0.00 0.00 175.76 174.94 3b9i s PRO 108 N 2.32 3.68 -0.61 0.00 0.04 -1.26 -4.98 135.00 134.19 3b9i s PRO 108 Ca 0.45 1.61 -0.28 0.00 0.04 0.00 0.00 61.00 62.83 3b9i s PRO 108 Cb -0.17 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.15 3b9i s PRO 108 CO 0.14 -0.58 1.31 0.12 0.04 0.00 0.00 177.00 178.04 3b9i s PHE 109 N -1.71 2.39 -0.02 0.56 5.36 -1.26 -4.76 117.98 118.53 3b9i s PHE 109 Ca 0.67 0.34 0.04 0.00 -0.96 0.00 0.00 56.93 57.01 3b9i s PHE 109 Cb -0.24 -4.49 -0.01 0.00 -0.34 0.00 0.00 43.02 37.95 3b9i s PHE 109 CO 0.29 -1.86 -0.15 0.08 -1.46 0.00 0.00 175.22 172.12 3b9i s VAL 110 N 5.66 1.19 -0.06 3.12 1.01 -1.26 -3.64 120.40 126.42 3b9i s VAL 110 Ca 0.45 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3b9i s VAL 110 Cb -0.09 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.29 3b9i s VAL 110 CO 0.23 0.34 -0.14 -0.69 0.00 0.00 0.00 175.10 174.84 3b9i s VAL 111 N -0.12 1.24 0.02 2.92 1.01 0.20 -0.66 120.40 125.01 3b9i s VAL 111 Ca 0.01 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.51 3b9i s VAL 111 Cb -0.08 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3b9i s VAL 111 CO 0.00 0.37 -0.23 -1.10 0.00 0.00 0.00 175.10 174.15 3b9i s GLN 112 N 0.49 1.65 -0.19 2.72 -0.21 -0.06 0.06 119.66 124.13 3b9i s GLN 112 Ca -0.12 -0.93 -0.06 0.00 0.02 0.00 0.00 55.36 54.27 3b9i s GLN 112 Cb -0.15 -1.72 -0.03 0.00 1.00 0.00 0.00 33.01 32.11 3b9i s GLN 112 CO 0.04 0.45 0.01 0.42 -2.12 0.00 0.00 175.29 174.09 3b9i s ILE 113 N -0.70 4.23 0.08 1.08 1.01 -0.74 -0.10 121.20 126.05 3b9i s ILE 113 Ca 0.09 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.54 3b9i s ILE 113 Cb -0.09 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3b9i s ILE 113 CO 0.01 0.45 0.07 -0.31 0.00 0.00 0.00 174.94 175.16 3b9i s TYR 114 N 0.67 3.18 -0.20 3.97 2.02 0.24 0.57 117.35 127.80 3b9i s TYR 114 Ca 0.01 0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 3b9i s TYR 114 Cb -0.14 -1.62 0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3b9i s TYR 114 CO 0.02 0.52 -0.13 0.21 -1.57 0.00 0.00 175.55 174.60 3b9i s LYS 115 N -2.35 2.29 3.87 -0.62 2.20 0.18 -2.64 119.74 122.66 3b9i s LYS 115 Ca 0.29 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 3b9i s LYS 115 Cb -0.12 -2.49 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 3b9i s LYS 115 CO 0.21 -0.39 0.00 1.63 -0.36 0.00 0.00 175.35 176.45 3b9i n LYS 116 N 4.64 0.00 -0.70 4.03 5.02 0.07 -0.67 118.16 130.55 3b9i n LYS 116 Ca -0.16 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3b9i n LYS 116 Cb 0.47 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 35.84 3b9i n LYS 116 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3b9i n ASN 117 N 4.56 5.02 -4.80 4.39 3.02 -1.26 -4.94 115.26 121.26 3b9i n ASN 117 Ca 0.00 -2.68 -0.34 0.00 -0.03 0.00 0.00 54.58 51.53 3b9i n ASN 117 Cb 0.00 -0.61 -0.07 0.00 -0.61 0.00 0.00 39.78 38.49 3b9i n ASN 117 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3b9i s ASP 118 N -0.97 5.86 -0.24 6.41 1.01 0.16 -5.08 116.67 123.82 3b9i s ASP 118 Ca 0.51 0.26 -0.29 0.00 0.71 0.00 0.00 52.55 53.74 3b9i s ASP 118 Cb 0.36 -1.76 0.00 0.00 1.01 0.00 0.00 42.92 42.53 3b9i s ASP 118 CO 0.20 0.33 1.19 -0.69 0.21 0.00 0.00 175.17 176.40 3b9i s VAL 119 N -1.10 4.38 0.01 -1.27 1.01 -1.26 -0.65 120.40 121.52 3b9i s VAL 119 Ca 0.19 1.63 -0.18 0.00 0.00 0.00 0.00 61.98 63.63 3b9i s VAL 119 Cb -0.12 -4.19 -0.31 0.00 0.00 0.00 0.00 36.38 31.77 3b9i s VAL 119 CO 0.09 -0.29 1.02 -0.07 0.00 0.00 0.00 175.10 175.85 3b9i h LEU 120 N 10.00 0.72 -7.04 3.92 3.38 -0.19 -3.47 115.31 122.63 3b9i h LEU 120 Ca -0.23 -0.88 -0.06 0.00 0.09 0.00 0.00 57.88 56.80 3b9i h LEU 120 Cb 1.08 -0.23 -0.18 0.00 0.09 0.00 0.00 40.66 41.42 3b9i h LEU 120 CO 1.00 1.53 0.16 0.00 0.09 0.00 0.00 178.44 181.22 3b9i s GLN 121 N -2.76 1.06 -0.12 1.13 -2.07 -1.14 -5.00 119.66 110.76 3b9i s GLN 121 Ca -0.11 0.12 0.03 0.00 -1.82 0.00 0.00 55.36 53.58 3b9i s GLN 121 Cb 0.04 0.50 0.01 0.00 -1.09 0.00 0.00 33.01 32.46 3b9i s GLN 121 CO 0.90 -0.35 -0.21 0.99 -1.32 0.00 0.00 175.29 175.30 3b9i s THR 122 N -1.57 1.92 0.02 3.63 2.01 -1.26 -1.80 115.64 118.60 3b9i s THR 122 Ca -0.09 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.06 3b9i s THR 122 Cb -0.00 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 3b9i s THR 122 CO 0.06 0.53 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.57 3b9i s LEU 123 N 0.73 2.13 -0.12 4.42 1.43 0.11 -4.99 118.68 122.38 3b9i s LEU 123 Ca -0.10 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.49 3b9i s LEU 123 Cb -0.16 -0.89 0.05 0.00 0.03 0.00 0.00 46.19 45.21 3b9i s LEU 123 CO 0.01 0.16 0.28 0.00 0.23 0.00 0.00 176.35 177.02 3b9i s MET 124 N -0.93 0.25 0.35 1.70 0.23 -1.26 -0.63 119.30 119.01 3b9i s MET 124 Ca 0.06 0.55 0.06 0.00 -1.03 0.00 0.00 55.69 55.34 3b9i s MET 124 Cb -0.08 -0.07 -0.02 0.00 -1.53 0.00 0.00 34.83 33.13 3b9i s MET 124 CO 0.01 -0.15 0.22 0.27 -2.03 0.00 0.00 175.02 173.34 3b9i n ASN 125 N 4.07 0.07 -3.67 -1.18 0.23 -1.24 -5.06 115.26 108.49 3b9i n ASN 125 Ca -0.23 -3.09 -0.41 0.00 -0.53 0.00 0.00 54.58 50.31 3b9i n ASN 125 Cb 0.54 1.36 -0.00 0.00 -2.08 0.00 0.00 39.78 39.59 3b9i n ASN 125 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3b9i n ASP 126 N -1.67 5.95 -3.84 0.53 2.03 -1.26 -4.36 116.55 113.94 3b9i n ASP 126 Ca 0.02 -2.98 -0.26 0.00 0.52 0.00 0.00 54.79 52.10 3b9i n ASP 126 Cb 0.58 -1.51 0.01 0.00 -0.72 0.00 0.00 41.12 39.48 3b9i n ASP 126 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3b9i n PHE 127 N 3.90 -1.76 -4.41 -0.67 3.72 -1.26 -4.95 117.46 112.02 3b9i n PHE 127 Ca 0.53 0.69 -0.24 0.00 -0.05 0.00 0.00 57.45 58.38 3b9i n PHE 127 Cb 0.33 -3.79 -0.11 0.00 -0.94 0.00 0.00 39.48 34.96 3b9i n PHE 127 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3b9i s GLN 128 N -6.30 1.50 0.14 -1.08 -1.52 -1.26 -4.62 119.66 106.52 3b9i s GLN 128 Ca 0.12 -1.59 -0.34 0.00 -1.95 0.00 0.00 55.36 51.60 3b9i s GLN 128 Cb -0.04 -1.64 -0.16 0.00 -0.22 0.00 0.00 33.01 30.95 3b9i s GLN 128 CO 0.87 0.33 1.26 -0.89 -0.25 0.00 0.00 175.29 176.61 3b9i n ILE 129 N -0.08 0.51 -3.96 1.08 5.41 -1.26 -4.61 119.36 116.44 3b9i n ILE 129 Ca -0.10 -0.13 -0.31 0.00 1.00 0.00 0.00 62.75 63.22 3b9i n ILE 129 Cb 0.58 -0.90 -0.15 0.00 -0.71 0.00 0.00 39.64 38.46 3b9i n ILE 129 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3b9i s LEU 130 N 0.57 3.44 0.34 1.39 2.96 -0.24 -4.97 118.68 122.17 3b9i s LEU 130 Ca 0.78 -1.63 -0.27 0.00 -0.22 0.00 0.00 54.13 52.79 3b9i s LEU 130 Cb -0.87 -1.36 -0.09 0.00 0.50 0.00 0.00 46.19 44.37 3b9i s LEU 130 CO 0.49 -0.30 1.16 -2.84 -1.32 0.00 0.00 176.35 173.54 3b9i s PRO 131 N 1.20 4.36 0.17 0.98 0.02 -1.26 0.38 135.00 140.84 3b9i s PRO 131 Ca 0.02 1.87 0.06 0.00 0.02 0.00 0.00 61.00 62.96 3b9i s PRO 131 Cb -0.19 -2.94 -0.04 0.00 0.02 0.00 0.00 34.50 31.34 3b9i s PRO 131 CO -0.09 -0.07 -0.12 0.96 -0.33 0.00 0.00 177.00 177.35 3b9i s ILE 132 N -1.28 1.41 0.00 2.83 -4.36 -0.69 -4.95 121.20 114.16 3b9i s ILE 132 Ca 0.51 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 3b9i s ILE 132 Cb -0.32 -1.88 0.00 0.00 1.25 0.00 0.00 42.46 41.51 3b9i s ILE 132 CO 0.41 -0.64 0.00 0.61 0.24 0.00 0.00 174.94 175.56 3b9i n GLY 133 N -0.16 -1.09 0.00 6.27 0.00 -1.26 -3.30 105.19 105.66 3b9i n GLY 133 Ca -0.10 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.81 3b9i n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b9i n GLY 134 N 0.00 -1.18 3.66 -0.02 0.00 0.20 -4.98 105.19 102.88 3b9i n GLY 134 Ca 0.00 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 3b9i n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b9i s VAL 135 N -2.65 4.99 0.02 1.61 1.01 -1.26 -1.78 120.40 122.34 3b9i s VAL 135 Ca 0.00 1.28 0.04 0.00 0.00 0.00 0.00 61.98 63.29 3b9i s VAL 135 Cb 0.00 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3b9i s VAL 135 CO 0.00 0.08 -0.12 -0.31 0.00 0.00 0.00 175.10 174.75 3b9i s TYR 136 N 2.04 1.04 -0.54 5.22 2.02 -0.35 -5.00 117.35 121.78 3b9i s TYR 136 Ca 0.30 -0.30 -0.24 0.00 -0.37 0.00 0.00 57.07 56.47 3b9i s TYR 136 Cb -0.16 -0.64 0.04 0.00 -0.40 0.00 0.00 41.96 40.81 3b9i s TYR 136 CO 0.10 0.00 0.93 -2.00 -1.57 0.00 0.00 175.55 173.01 3b9i s GLU 137 N -0.83 3.34 0.24 -0.62 2.56 -1.26 -1.21 118.70 120.92 3b9i s GLU 137 Ca 0.01 -0.25 0.08 0.00 0.00 0.00 0.00 54.97 54.81 3b9i s GLU 137 Cb -0.06 -4.04 -0.04 0.00 2.00 0.00 0.00 34.13 31.98 3b9i s GLU 137 CO 0.01 -1.45 0.11 -0.51 -0.56 0.00 0.00 175.26 172.85 3b9i s LEU 138 N 3.88 3.57 0.12 2.70 1.43 -0.34 -4.99 118.68 125.05 3b9i s LEU 138 Ca 0.30 -0.37 0.09 0.00 -1.03 0.00 0.00 54.13 53.13 3b9i s LEU 138 Cb -0.13 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 3b9i s LEU 138 CO 0.20 0.00 -0.23 -1.00 0.23 0.00 0.00 176.35 175.55 3b9i s HIS 139 N -2.09 2.01 0.20 0.29 3.76 -1.26 -0.87 115.29 117.32 3b9i s HIS 139 Ca 0.31 -0.40 -0.32 0.00 -0.15 0.00 0.00 55.06 54.50 3b9i s HIS 139 Cb -0.08 -1.08 -0.15 0.00 1.11 0.00 0.00 32.58 32.38 3b9i s HIS 139 CO 0.22 0.28 1.25 0.00 -0.85 0.00 0.00 174.74 175.64 3b9i n ALA 140 N 0.91 -0.08 0.00 -1.40 0.00 -1.26 -1.23 120.51 117.44 3b9i n ALA 140 Ca -0.18 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3b9i n ALA 140 Cb 0.54 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3b9i n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b9i n GLY 141 N 2.05 1.70 3.77 0.00 0.00 0.22 -4.94 105.19 107.99 3b9i n GLY 141 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3b9i n GLY 141 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3b9i s ASP 142 N -1.76 6.86 -0.14 1.61 1.01 -0.36 -4.72 116.67 119.17 3b9i s ASP 142 Ca 0.00 2.62 -0.05 0.00 0.71 0.00 0.00 52.55 55.83 3b9i s ASP 142 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3b9i s ASP 142 CO 0.00 -0.47 0.04 0.20 0.21 0.00 0.00 175.17 175.15 3b9i s ASN 143 N -0.56 5.51 -0.07 0.27 0.01 -1.26 0.32 114.94 119.17 3b9i s ASN 143 Ca 0.48 0.14 0.05 0.00 -0.71 0.00 0.00 52.86 52.82 3b9i s ASN 143 Cb -0.38 -1.79 -0.01 0.00 0.41 0.00 0.00 41.25 39.48 3b9i s ASN 143 CO 0.51 0.28 -0.21 -0.63 -1.51 0.00 0.00 177.10 175.54 3b9i s ILE 144 N -0.29 2.43 0.09 0.60 -1.09 0.07 -0.75 121.20 122.26 3b9i s ILE 144 Ca 0.08 -0.93 -0.26 0.00 -2.23 0.00 0.00 60.65 57.31 3b9i s ILE 144 Cb -0.12 -1.92 0.07 0.00 -1.58 0.00 0.00 42.46 38.91 3b9i s ILE 144 CO 0.02 0.57 0.65 -0.72 -1.23 0.00 0.00 174.94 174.22 3b9i s TYR 145 N -0.21 -0.55 0.02 3.97 -0.85 -1.08 -1.06 117.35 117.59 3b9i s TYR 145 Ca -0.01 0.53 -0.00 0.00 -0.52 0.00 0.00 57.07 57.06 3b9i s TYR 145 Cb -0.13 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.69 3b9i s TYR 145 CO 0.03 -0.76 0.14 -0.51 -1.52 0.00 0.00 175.55 172.94 3b9i s LEU 146 N -2.31 4.13 -0.04 -3.49 1.02 -1.26 -0.59 118.68 116.14 3b9i s LEU 146 Ca -0.02 0.21 0.04 0.00 0.02 0.00 0.00 54.13 54.39 3b9i s LEU 146 Cb -0.01 -2.56 -0.00 0.00 0.02 0.00 0.00 46.19 43.64 3b9i s LEU 146 CO -0.07 0.23 -0.16 -0.75 0.02 0.00 0.00 176.35 175.62 3b9i s LYS 147 N -2.07 1.67 -0.02 1.70 2.20 0.86 -4.96 119.74 119.11 3b9i s LYS 147 Ca 0.28 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.32 3b9i s LYS 147 Cb -0.12 -1.47 -0.03 0.00 -1.51 0.00 0.00 37.83 34.69 3b9i s LYS 147 CO 0.20 0.25 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.33 3b9i s PHE 148 N 0.00 2.97 0.28 4.03 0.08 -1.26 -0.88 117.98 123.19 3b9i s PHE 148 Ca -0.03 0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.06 3b9i s PHE 148 Cb -0.11 -1.66 0.58 0.00 -0.57 0.00 0.00 43.02 41.26 3b9i s PHE 148 CO 0.02 0.39 1.79 -0.97 -0.10 0.00 0.00 175.22 176.35 3b9i h ASN 149 N 4.71 0.72 -3.04 1.36 -1.24 -1.19 -3.41 115.58 113.49 3b9i h ASN 149 Ca -0.49 0.08 -0.07 0.00 0.71 0.00 0.00 56.30 56.53 3b9i h ASN 149 Cb 1.17 -0.06 -0.25 0.00 0.73 0.00 0.00 38.32 39.92 3b9i h ASN 149 CO 0.54 0.33 -0.21 -0.55 -1.29 0.00 0.00 177.43 176.25 3b9i s SER 150 N -5.52 -0.63 0.00 1.15 0.15 -1.26 -5.03 113.70 102.56 3b9i s SER 150 Ca -0.12 1.10 0.24 0.00 0.70 0.00 0.00 55.95 57.87 3b9i s SER 150 Cb 0.22 1.06 1.10 0.00 -1.71 0.00 0.00 66.02 66.70 3b9i s SER 150 CO 0.79 -0.21 1.77 2.29 1.20 0.00 0.00 173.24 179.09 3b9i n LYS 151 N 4.44 0.17 0.24 5.44 2.85 -1.26 -2.23 118.16 127.81 3b9i n LYS 151 Ca -0.20 0.08 0.12 0.00 -1.05 0.00 0.00 58.31 57.26 3b9i n LYS 151 Cb 0.55 -1.50 0.55 0.00 -0.65 0.00 0.00 35.03 33.98 3b9i n LYS 151 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3b9i h ASP 152 N 0.00 0.00 0.79 -5.58 3.32 -1.98 -2.89 116.42 110.08 3b9i h ASP 152 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3b9i h ASP 152 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3b9i h ASP 152 CO 0.00 0.15 -0.13 0.45 -1.72 0.00 0.00 179.24 177.98 3b9i h HIS 153 N 0.00 0.00 -3.40 4.55 3.86 -1.86 -3.45 115.15 114.85 3b9i h HIS 153 Ca -0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 3b9i h HIS 153 Cb 0.64 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.02 3b9i h HIS 153 CO 0.00 0.13 0.03 0.42 0.86 0.00 0.00 177.93 179.38 3b9i s ILE 154 N -3.80 5.07 -0.32 2.45 -1.09 -1.09 0.11 121.20 122.54 3b9i s ILE 154 Ca -0.00 1.13 -0.21 0.00 -2.23 0.00 0.00 60.65 59.34 3b9i s ILE 154 Cb 0.11 -3.91 -0.01 0.00 -1.58 0.00 0.00 42.46 37.07 3b9i s ILE 154 CO 0.59 0.19 0.64 -1.58 -1.23 0.00 0.00 174.94 173.55 3b9i s GLN 155 N 1.44 3.85 0.24 2.79 0.74 0.69 -4.78 119.66 124.64 3b9i s GLN 155 Ca 0.28 0.26 -0.07 0.00 0.05 0.00 0.00 55.36 55.89 3b9i s GLN 155 Cb -0.16 -3.75 0.24 0.00 1.10 0.00 0.00 33.01 30.44 3b9i s GLN 155 CO 0.11 -0.62 1.92 0.87 -0.55 0.00 0.00 175.29 177.02 3b9i h LYS 156 N 8.26 1.28 -6.44 1.67 1.57 -1.92 -3.36 116.57 117.63 3b9i h LYS 156 Ca -0.26 -0.08 -0.53 0.00 -1.87 0.00 0.00 60.65 57.90 3b9i h LYS 156 Cb 1.11 -0.29 0.02 0.00 0.08 0.00 0.00 32.23 33.16 3b9i h LYS 156 CO 0.82 0.86 0.98 0.99 -0.57 0.00 0.00 179.45 182.52 3b9i s THR 157 N -6.10 3.14 0.00 -0.16 2.01 -1.26 -2.34 115.64 110.93 3b9i s THR 157 Ca -0.13 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.44 3b9i s THR 157 Cb 0.18 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.32 3b9i s THR 157 CO 0.82 -0.00 0.00 0.59 -0.69 0.00 0.00 174.62 175.33 3b9i n ASN 158 N 5.59 -3.06 -4.72 3.53 3.02 -1.26 -4.89 115.26 113.47 3b9i n ASN 158 Ca 0.15 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.31 3b9i n ASN 158 Cb 0.41 -1.60 -0.05 0.00 -0.61 0.00 0.00 39.78 37.93 3b9i n ASN 158 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3b9i s THR 159 N -1.89 5.05 0.06 3.41 2.01 -0.99 -4.72 115.64 118.58 3b9i s THR 159 Ca 0.00 1.33 -0.14 0.00 0.31 0.00 0.00 61.69 63.19 3b9i s THR 159 Cb 0.00 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.54 3b9i s THR 159 CO 0.00 0.29 0.32 -0.72 -0.69 0.00 0.00 174.62 173.82 3b9i s TYR 160 N 0.65 -0.12 0.19 4.92 -0.85 -0.81 -0.99 117.35 120.34 3b9i s TYR 160 Ca 0.35 -0.07 -0.19 0.00 -0.52 0.00 0.00 57.07 56.63 3b9i s TYR 160 Cb -0.17 0.13 0.04 0.00 0.38 0.00 0.00 41.96 42.33 3b9i s TYR 160 CO 0.17 -0.56 0.55 1.67 -1.52 0.00 0.00 175.55 175.86 3b9i s TRP 161 N -2.93 -0.24 0.00 -3.49 -2.14 -0.76 -0.24 118.94 109.13 3b9i s TRP 161 Ca -0.02 -0.08 0.00 0.00 2.66 0.00 0.00 56.10 58.66 3b9i s TRP 161 Cb 0.00 0.45 0.00 0.00 -3.10 0.00 0.00 33.47 30.82 3b9i s TRP 161 CO -0.06 -0.91 0.00 0.41 -2.66 0.00 0.00 176.95 173.74 3b9i n GLY 162 N -0.35 0.58 3.12 3.67 0.00 -0.34 -0.33 105.19 111.55 3b9i n GLY 162 Ca -0.12 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 3b9i n GLY 162 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3b9i s ILE 163 N -2.06 0.53 -0.07 -0.61 -4.36 -1.19 -1.52 121.20 111.93 3b9i s ILE 163 Ca 0.00 -1.66 -0.00 0.00 -0.26 0.00 0.00 60.65 58.73 3b9i s ILE 163 Cb 0.00 -1.33 0.02 0.00 1.25 0.00 0.00 42.46 42.41 3b9i s ILE 163 CO 0.00 -0.77 -0.03 -0.51 0.24 0.00 0.00 174.94 173.87 3b9i s ILE 164 N -3.06 0.55 -0.03 8.37 2.07 -0.24 -1.84 121.20 127.02 3b9i s ILE 164 Ca 0.04 -0.04 -0.30 0.00 -1.41 0.00 0.00 60.65 58.94 3b9i s ILE 164 Cb 0.02 -0.63 -0.08 0.00 0.13 0.00 0.00 42.46 41.90 3b9i s ILE 164 CO -0.04 0.26 2.02 -0.22 -1.91 0.00 0.00 174.94 175.05 3b9i s LEU 165 N 1.49 4.19 0.22 8.50 2.96 -0.60 -0.60 118.68 134.85 3b9i s LEU 165 Ca -0.02 2.47 -0.22 0.00 -0.22 0.00 0.00 54.13 56.14 3b9i s LEU 165 Cb -0.13 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 3b9i s LEU 165 CO -0.03 -1.27 0.78 -0.04 -1.32 0.00 0.00 176.35 174.46 3b9i s MET 166 N 4.90 4.40 0.77 1.98 -1.94 0.12 -4.65 119.30 124.88 3b9i s MET 166 Ca 0.91 1.03 -0.12 0.00 -1.71 0.00 0.00 55.69 55.80 3b9i s MET 166 Cb -0.40 -2.97 0.05 0.00 2.01 0.00 0.00 34.83 33.52 3b9i s MET 166 CO 0.40 0.42 1.11 -1.25 -0.01 0.00 0.00 175.02 175.69 3b9i s PRO 167 N -1.76 2.35 0.71 2.03 0.04 -1.26 -4.64 135.00 132.47 3b9i s PRO 167 Ca 0.42 0.45 -0.16 0.00 0.04 0.00 0.00 61.00 61.75 3b9i s PRO 167 Cb -0.19 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.42 3b9i s PRO 167 CO 0.23 -1.39 1.26 -0.51 0.04 0.00 0.00 177.00 176.63 3b9i s ASP 168 N -4.23 4.16 -0.54 6.66 1.01 -1.26 -4.98 116.67 117.49 3b9i s ASP 168 Ca 0.60 2.53 0.07 0.00 0.71 0.00 0.00 52.55 56.46 3b9i s ASP 168 Cb -0.12 -2.61 0.26 0.00 1.01 0.00 0.00 42.92 41.46 3b9i s ASP 168 CO 0.52 -2.30 0.70 0.18 0.21 0.00 0.00 175.17 174.48 3b9i n LEU 169 N -2.49 2.59 -0.01 1.23 4.77 -1.26 -4.94 117.00 116.89 3b9i n LEU 169 Ca 0.15 -5.22 0.13 0.00 -0.03 0.00 0.00 56.01 51.04 3b9i n LEU 169 Cb 0.49 -0.19 0.43 0.00 -2.33 0.00 0.00 43.42 41.82 3b9i n LEU 169 CO 0.47 2.10 0.69 -0.81 -1.33 0.00 0.00 177.39 178.52 3b9i n PRO 170 N 0.88 0.07 -3.58 3.23 -0.04 -1.26 -4.82 135.00 129.49 3b9i n PRO 170 Ca 0.27 -0.03 -0.34 0.00 -0.04 0.00 0.00 63.50 63.37 3b9i n PRO 170 Cb 0.46 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 3b9i n PRO 170 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3b9i s PHE 171 N -2.95 3.55 -0.03 0.54 0.08 -1.26 -5.08 117.98 112.83 3b9i s PHE 171 Ca 0.14 0.75 0.00 0.00 0.12 0.00 0.00 56.93 57.95 3b9i s PHE 171 Cb 0.18 -2.14 0.03 0.00 -0.57 0.00 0.00 43.02 40.52 3b9i s PHE 171 CO 0.61 0.48 0.00 0.42 -0.10 0.00 0.00 175.22 176.63 3b9i s ILE 172 N -1.49 0.15 0.00 0.64 1.01 -1.26 -5.26 121.20 114.99 3b9i s ILE 172 Ca 0.36 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.10 3b9i s ILE 172 Cb -0.13 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.09 3b9i s ILE 172 CO 0.20 0.13 0.01 -1.54 0.00 0.00 0.00 174.94 173.74