#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ot3 s TYR 18 N 0.00 3.32 -0.15 0.00 2.02 -1.16 -4.99 117.35 116.39 2ot3 s TYR 18 Ca 0.00 1.19 0.01 0.00 -0.37 0.00 0.00 57.07 57.90 2ot3 s TYR 18 Cb 0.00 -3.56 0.02 0.00 -0.40 0.00 0.00 41.96 38.02 2ot3 s TYR 18 CO 0.00 -1.80 -0.17 -1.12 -1.57 0.00 0.00 175.55 170.89 2ot3 s SER 19 N 0.69 2.80 -0.09 2.29 0.01 -1.26 -1.28 113.70 116.85 2ot3 s SER 19 Ca 0.59 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 57.36 2ot3 s SER 19 Cb -0.34 -1.27 -0.00 0.00 0.21 0.00 0.00 66.02 64.62 2ot3 s SER 19 CO 0.34 -0.01 -0.23 -0.36 0.41 0.00 0.00 173.24 173.38 2ot3 s PHE 20 N 1.25 2.55 -0.23 2.43 0.08 0.01 -4.99 117.98 119.08 2ot3 s PHE 20 Ca 0.01 -0.96 -0.17 0.00 0.12 0.00 0.00 56.93 55.94 2ot3 s PHE 20 Cb -0.14 -1.70 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 2ot3 s PHE 20 CO -0.08 -0.37 0.44 0.21 -0.10 0.00 0.00 175.22 175.32 2ot3 s LYS 21 N 0.24 4.12 -0.19 0.44 2.20 -1.26 -1.86 119.74 123.43 2ot3 s LYS 21 Ca -0.15 0.23 0.01 0.00 -0.36 0.00 0.00 55.97 55.70 2ot3 s LYS 21 Cb -0.17 -3.59 0.03 0.00 -1.51 0.00 0.00 37.83 32.59 2ot3 s LYS 21 CO 0.08 -0.18 -0.14 0.08 -0.36 0.00 0.00 175.35 174.83 2ot3 s VAL 22 N 1.77 1.80 0.19 4.02 1.01 -0.41 0.27 120.40 129.05 2ot3 s VAL 22 Ca 0.20 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 2ot3 s VAL 22 Cb -0.15 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.38 2ot3 s VAL 22 CO 0.09 0.31 0.76 0.68 0.00 0.00 0.00 175.10 176.94 2ot3 s VAL 23 N 1.35 4.43 -0.23 2.92 -7.23 -0.61 -0.44 120.40 120.60 2ot3 s VAL 23 Ca 0.01 1.57 -0.06 0.00 -1.81 0.00 0.00 61.98 61.69 2ot3 s VAL 23 Cb -0.15 -4.04 -0.02 0.00 0.56 0.00 0.00 36.38 32.73 2ot3 s VAL 23 CO -0.10 0.41 0.03 -0.22 -0.31 0.00 0.00 175.10 174.91 2ot3 s LEU 24 N -1.44 3.27 0.04 1.32 2.96 -0.38 -0.50 118.68 123.94 2ot3 s LEU 24 Ca 0.38 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 2ot3 s LEU 24 Cb -0.21 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2ot3 s LEU 24 CO 0.24 -0.01 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.31 2ot3 s LEU 25 N 1.43 2.55 0.00 -0.68 1.02 0.53 -1.78 118.68 121.75 2ot3 s LEU 25 Ca 0.05 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 53.75 2ot3 s LEU 25 Cb -0.15 -1.48 0.00 0.00 0.02 0.00 0.00 46.19 44.58 2ot3 s LEU 25 CO 0.01 0.26 0.00 0.61 0.02 0.00 0.00 176.35 177.25 2ot3 n GLY 26 N 1.59 4.44 3.82 -3.19 0.00 -1.26 -1.42 105.19 109.17 2ot3 n GLY 26 Ca -0.16 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 2ot3 n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ot3 s GLU 27 N -3.45 3.65 0.39 1.61 2.02 -1.26 -3.93 118.70 117.73 2ot3 s GLU 27 Ca 0.00 1.12 0.22 0.00 0.02 0.00 0.00 54.97 56.33 2ot3 s GLU 27 Cb 0.00 -2.09 1.25 0.00 0.10 0.00 0.00 34.13 33.40 2ot3 s GLU 27 CO 0.00 -0.53 1.65 0.78 0.02 0.00 0.00 175.26 177.18 2ot3 h GLY 28 N 0.82 1.73 2.00 -1.39 0.00 -1.97 -1.73 103.07 102.53 2ot3 h GLY 28 Ca -0.47 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.68 2ot3 h GLY 28 CO 0.59 -0.46 0.00 0.00 0.00 0.00 0.00 176.54 176.67 2ot3 n VAL 30 N -1.71 0.00 -1.18 0.00 0.24 -0.65 -4.93 118.33 110.10 2ot3 n VAL 30 Ca 0.04 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2ot3 n VAL 30 Cb 0.22 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 2ot3 n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ot3 n GLY 31 N 1.22 0.46 0.32 7.63 0.00 -0.87 -4.65 105.19 109.30 2ot3 n GLY 31 Ca 0.17 -0.94 0.05 0.00 0.00 0.00 0.00 46.02 45.30 2ot3 n GLY 31 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ot3 h LYS 32 N 0.00 0.56 -0.10 1.61 2.10 -1.79 -2.84 116.57 116.12 2ot3 h LYS 32 Ca 0.00 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.50 2ot3 h LYS 32 Cb 0.27 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 2ot3 h LYS 32 CO 0.00 0.37 -0.40 1.15 -2.00 0.00 0.00 179.45 178.57 2ot3 h THR 33 N 0.58 1.39 -0.86 0.07 2.02 -1.92 -2.18 112.91 112.00 2ot3 h THR 33 Ca 0.20 -1.75 0.07 0.00 0.77 0.00 0.00 66.41 65.70 2ot3 h THR 33 Cb 0.07 2.22 -0.06 0.00 -1.74 0.00 0.00 68.15 68.64 2ot3 h THR 33 CO -0.05 0.52 0.56 -1.28 0.37 0.00 0.00 175.52 175.64 2ot3 h SER 34 N 0.01 0.82 0.08 4.18 0.87 -1.93 -0.32 113.55 117.28 2ot3 h SER 34 Ca -0.02 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2ot3 h SER 34 Cb 1.04 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2ot3 h SER 34 CO 0.08 0.52 -0.04 0.25 -0.53 0.00 0.00 176.83 177.12 2ot3 h LEU 35 N 0.93 -0.09 -0.67 2.23 6.46 -1.36 0.11 115.31 122.92 2ot3 h LEU 35 Ca 0.38 -0.14 -0.14 0.00 -0.12 0.00 0.00 57.88 57.85 2ot3 h LEU 35 Cb 0.26 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2ot3 h LEU 35 CO -0.14 0.08 -0.61 0.58 -0.62 0.00 0.00 178.44 177.73 2ot3 h VAL 36 N -0.27 1.39 -0.35 1.05 2.07 -1.18 -2.67 116.25 116.30 2ot3 h VAL 36 Ca -0.01 -2.00 -0.03 0.00 0.82 0.00 0.00 66.70 65.48 2ot3 h VAL 36 Cb 0.23 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2ot3 h VAL 36 CO 0.02 0.59 0.09 -0.07 0.02 0.00 0.00 177.57 178.22 2ot3 h LEU 37 N 0.15 0.52 -0.70 2.57 3.38 -0.91 0.89 115.31 121.22 2ot3 h LEU 37 Ca -0.01 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 57.86 2ot3 h LEU 37 Cb 1.11 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.59 2ot3 h LEU 37 CO 0.09 0.61 -0.32 0.03 0.09 0.00 0.00 178.44 178.95 2ot3 h ARG 38 N 0.41 -0.10 -0.06 1.13 -0.00 -0.70 -2.92 114.38 112.15 2ot3 h ARG 38 Ca 0.11 0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.58 2ot3 h ARG 38 Cb 0.29 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.28 2ot3 h ARG 38 CO -0.00 -0.06 -0.04 -0.92 0.00 0.00 0.00 179.97 178.95 2ot3 h TYR 39 N -0.10 0.14 0.00 3.04 3.20 -1.15 -3.51 116.97 118.59 2ot3 h TYR 39 Ca 0.28 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2ot3 h TYR 39 Cb 0.56 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2ot3 h TYR 39 CO -0.68 0.53 0.00 0.00 -1.64 0.00 0.00 178.16 176.37 2ot3 n THR 50 N 0.00 0.00 -1.67 0.00 5.66 -1.26 -5.01 114.28 112.00 2ot3 n THR 50 Ca 0.00 0.00 -0.50 0.00 -3.05 0.00 0.00 64.05 60.50 2ot3 n THR 50 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 2ot3 n THR 50 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2ot3 n THR 51 N -0.06 0.29 -0.02 1.09 -1.04 -1.26 -4.90 114.28 108.38 2ot3 n THR 51 Ca 0.00 -0.05 -0.13 0.00 -2.04 0.00 0.00 64.05 61.83 2ot3 n THR 51 Cb 0.00 -1.53 -0.08 0.00 -1.82 0.00 0.00 70.33 66.89 2ot3 n THR 51 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2ot3 h LEU 52 N 7.33 0.12 -7.83 -4.42 5.85 -2.07 -3.47 115.31 110.81 2ot3 h LEU 52 Ca -0.47 -0.40 -0.10 0.00 0.84 0.00 0.00 57.88 57.75 2ot3 h LEU 52 Cb 1.28 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 42.13 2ot3 h LEU 52 CO 0.91 0.49 -0.42 0.00 -0.34 0.00 0.00 178.44 179.09 2ot3 s GLN 53 N -4.61 0.76 -0.12 1.25 1.03 -1.26 -5.07 119.66 111.65 2ot3 s GLN 53 Ca -0.15 -0.87 0.17 0.00 0.04 0.00 0.00 55.36 54.55 2ot3 s GLN 53 Cb 0.04 0.31 0.42 0.00 0.03 0.00 0.00 33.01 33.80 2ot3 s GLN 53 CO 0.69 -0.22 1.19 0.00 -2.54 0.00 0.00 175.29 174.42 2ot3 n ALA 54 N 0.23 3.07 -0.12 2.60 0.00 -1.26 -4.80 120.51 120.23 2ot3 n ALA 54 Ca -0.16 -2.86 -0.15 0.00 0.00 0.00 0.00 53.44 50.27 2ot3 n ALA 54 Cb 0.61 -0.52 -0.14 0.00 0.00 0.00 0.00 19.45 19.40 2ot3 n ALA 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ot3 n SER 55 N -0.41 1.23 -3.96 0.00 7.64 -1.26 -4.81 113.62 112.06 2ot3 n SER 55 Ca 0.13 -0.08 -0.28 0.00 1.01 0.00 0.00 58.87 59.65 2ot3 n SER 55 Cb 0.89 0.11 -0.17 0.00 -1.01 0.00 0.00 64.21 64.03 2ot3 n SER 55 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ot3 s PHE 56 N -2.51 1.77 0.02 1.43 5.36 -1.26 -0.09 117.98 122.70 2ot3 s PHE 56 Ca -0.25 -0.94 0.01 0.00 -0.96 0.00 0.00 56.93 54.79 2ot3 s PHE 56 Cb 0.08 -1.38 -0.02 0.00 -0.34 0.00 0.00 43.02 41.36 2ot3 s PHE 56 CO 0.69 -0.58 -0.05 -0.51 -1.46 0.00 0.00 175.22 173.31 2ot3 s LEU 57 N 1.60 2.16 0.12 6.12 1.43 -0.58 -4.98 118.68 124.55 2ot3 s LEU 57 Ca 0.05 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2ot3 s LEU 57 Cb -0.13 -0.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 2ot3 s LEU 57 CO -0.09 -0.14 -0.10 0.42 0.23 0.00 0.00 176.35 176.66 2ot3 s THR 58 N -0.93 1.08 -0.07 5.49 -4.23 -1.26 0.14 115.64 115.86 2ot3 s THR 58 Ca -0.08 -1.87 -0.05 0.00 -1.18 0.00 0.00 61.69 58.52 2ot3 s THR 58 Cb -0.07 -1.63 0.03 0.00 1.34 0.00 0.00 72.50 72.17 2ot3 s THR 58 CO -0.00 -0.65 0.18 -0.75 -0.54 0.00 0.00 174.62 172.86 2ot3 s LYS 59 N -3.30 0.17 -0.27 3.99 2.47 -0.00 -4.92 119.74 117.88 2ot3 s LYS 59 Ca 0.12 0.35 -0.12 0.00 -1.56 0.00 0.00 55.97 54.76 2ot3 s LYS 59 Cb -0.00 -0.05 -0.05 0.00 -1.46 0.00 0.00 37.83 36.27 2ot3 s LYS 59 CO 0.00 -0.11 0.24 -1.59 0.16 0.00 0.00 175.35 174.06 2ot3 s LYS 60 N 0.74 4.00 0.16 4.03 -2.85 -1.26 -0.22 119.74 124.34 2ot3 s LYS 60 Ca -0.05 -0.20 0.10 0.00 -1.00 0.00 0.00 55.97 54.81 2ot3 s LYS 60 Cb -0.07 -3.63 -0.04 0.00 -2.06 0.00 0.00 37.83 32.03 2ot3 s LYS 60 CO -0.04 -0.15 -0.22 -0.51 0.10 0.00 0.00 175.35 174.53 2ot3 s LEU 61 N 1.69 2.40 -0.17 2.77 1.43 0.21 -4.97 118.68 122.03 2ot3 s LEU 61 Ca 0.10 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 2ot3 s LEU 61 Cb -0.15 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.10 2ot3 s LEU 61 CO 0.09 0.06 -0.17 0.20 0.23 0.00 0.00 176.35 176.76 2ot3 s ASN 62 N -2.48 3.03 -0.18 2.29 0.01 -1.26 0.14 114.94 116.50 2ot3 s ASN 62 Ca 0.16 -0.63 -0.01 0.00 -0.71 0.00 0.00 52.86 51.66 2ot3 s ASN 62 Cb -0.08 -1.35 0.05 0.00 0.41 0.00 0.00 41.25 40.29 2ot3 s ASN 62 CO 0.07 -0.04 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.96 2ot3 s ILE 63 N 1.37 1.01 -1.33 0.60 1.01 0.21 -4.73 121.20 119.34 2ot3 s ILE 63 Ca 0.04 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 2ot3 s ILE 63 Cb -0.13 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.08 2ot3 s ILE 63 CO -0.11 0.03 0.81 0.61 0.00 0.00 0.00 174.94 176.28 2ot3 n GLY 64 N 4.90 -0.35 2.79 6.18 0.00 -1.26 -1.21 105.19 116.25 2ot3 n GLY 64 Ca -0.11 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2ot3 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ot3 n GLY 65 N -1.55 0.86 3.63 -0.02 0.00 -1.26 -4.96 105.19 101.89 2ot3 n GLY 65 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2ot3 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ot3 s LYS 66 N -2.73 3.76 0.08 1.61 -2.85 -0.35 -5.10 119.74 114.15 2ot3 s LYS 66 Ca 0.00 -0.37 -0.26 0.00 -1.00 0.00 0.00 55.97 54.34 2ot3 s LYS 66 Cb 0.00 -3.10 -0.06 0.00 -2.06 0.00 0.00 37.83 32.61 2ot3 s LYS 66 CO 0.00 0.36 0.81 0.50 0.10 0.00 0.00 175.35 177.11 2ot3 s ARG 67 N 0.11 4.55 -0.09 1.78 3.00 -1.26 0.67 118.95 127.71 2ot3 s ARG 67 Ca 0.04 1.16 -0.00 0.00 -1.00 0.00 0.00 55.73 55.92 2ot3 s ARG 67 Cb -0.12 -3.35 0.02 0.00 0.00 0.00 0.00 34.95 31.50 2ot3 s ARG 67 CO 0.01 0.31 -0.06 0.08 0.00 0.00 0.00 175.30 175.65 2ot3 s VAL 68 N -0.22 0.84 -0.38 7.11 1.01 0.37 -2.63 120.40 126.51 2ot3 s VAL 68 Ca 0.40 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 2ot3 s VAL 68 Cb -0.21 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2ot3 s VAL 68 CO 0.25 0.33 0.45 0.20 0.00 0.00 0.00 175.10 176.33 2ot3 s ASN 69 N 1.64 6.23 -0.21 3.32 0.02 -0.40 0.66 114.94 126.20 2ot3 s ASN 69 Ca 0.02 -0.34 -0.09 0.00 -1.02 0.00 0.00 52.86 51.43 2ot3 s ASN 69 Cb -0.13 -2.23 -0.05 0.00 0.02 0.00 0.00 41.25 38.86 2ot3 s ASN 69 CO -0.06 -0.49 0.12 -0.22 0.02 0.00 0.00 177.10 176.46 2ot3 s LEU 70 N 2.21 3.99 -0.18 0.60 2.96 0.70 -0.81 118.68 128.16 2ot3 s LEU 70 Ca 0.14 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2ot3 s LEU 70 Cb -0.16 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.50 2ot3 s LEU 70 CO 0.13 0.12 -0.18 0.00 -1.32 0.00 0.00 176.35 175.10 2ot3 s ALA 71 N 0.72 2.39 -0.33 5.97 0.00 -0.78 -0.82 121.76 128.91 2ot3 s ALA 71 Ca 0.06 -1.18 -0.15 0.00 0.00 0.00 0.00 51.96 50.70 2ot3 s ALA 71 Cb -0.13 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 2ot3 s ALA 71 CO 0.02 -0.28 0.33 0.42 0.00 0.00 0.00 175.76 176.25 2ot3 s ILE 72 N 1.20 5.20 -0.46 0.00 -1.09 0.38 -1.28 121.20 125.13 2ot3 s ILE 72 Ca 0.02 0.04 -0.12 0.00 -2.23 0.00 0.00 60.65 58.37 2ot3 s ILE 72 Cb -0.14 -3.78 0.09 0.00 -1.58 0.00 0.00 42.46 37.06 2ot3 s ILE 72 CO -0.09 -0.04 0.35 0.26 -1.23 0.00 0.00 174.94 174.19 2ot3 s TRP 73 N 1.96 3.32 0.31 3.97 0.52 0.42 -1.53 118.94 127.90 2ot3 s TRP 73 Ca 0.11 -1.39 -0.29 0.00 0.02 0.00 0.00 56.10 54.55 2ot3 s TRP 73 Cb -0.17 -3.26 -0.10 0.00 -1.15 0.00 0.00 33.47 28.80 2ot3 s TRP 73 CO 0.11 -0.89 1.35 0.34 0.02 0.00 0.00 176.95 177.88 2ot3 s ASP 74 N 2.60 6.72 -0.02 2.95 2.15 0.87 -1.25 116.67 130.68 2ot3 s ASP 74 Ca 0.04 2.71 0.07 0.00 0.43 0.00 0.00 52.55 55.79 2ot3 s ASP 74 Cb -0.25 -2.64 -0.02 0.00 -0.30 0.00 0.00 42.92 39.70 2ot3 s ASP 74 CO 0.03 -0.60 -0.22 0.42 -0.17 0.00 0.00 175.17 174.63 2ot3 s THR 75 N -0.87 2.38 -0.01 1.71 -4.23 -0.73 -4.87 115.64 109.02 2ot3 s THR 75 Ca 0.52 -1.03 -0.30 0.00 -1.18 0.00 0.00 61.69 59.70 2ot3 s THR 75 Cb -0.41 -1.88 -0.07 0.00 1.34 0.00 0.00 72.50 71.49 2ot3 s THR 75 CO 0.51 0.55 1.66 0.00 -0.54 0.00 0.00 174.62 176.81 2ot3 s ALA 76 N -0.68 3.63 -1.01 3.99 0.00 -1.26 -4.63 121.76 121.81 2ot3 s ALA 76 Ca 0.11 1.04 0.24 0.00 0.00 0.00 0.00 51.96 53.35 2ot3 s ALA 76 Cb -0.10 -3.73 0.38 0.00 0.00 0.00 0.00 23.12 19.66 2ot3 s ALA 76 CO 0.00 -1.30 1.32 0.41 0.00 0.00 0.00 175.76 176.20 2ot3 n GLY 77 N 4.09 -1.20 3.76 0.00 0.00 -1.25 -4.87 105.19 105.72 2ot3 n GLY 77 Ca 0.17 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2ot3 n GLY 77 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ot3 s GLN 78 N -2.99 3.51 0.26 1.61 -0.21 -1.26 -4.57 119.66 116.00 2ot3 s GLN 78 Ca 0.11 2.24 -0.01 0.00 0.02 0.00 0.00 55.36 57.71 2ot3 s GLN 78 Cb 0.17 -2.48 0.53 0.00 1.00 0.00 0.00 33.01 32.23 2ot3 s GLN 78 CO 0.73 -0.90 1.76 1.49 -2.12 0.00 0.00 175.29 176.26 2ot3 h GLU 79 N 1.99 0.61 -0.04 2.91 4.57 -2.01 -0.97 114.58 121.64 2ot3 h GLU 79 Ca -0.51 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 57.65 2ot3 h GLU 79 Cb 1.28 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2ot3 h GLU 79 CO 0.60 0.41 0.28 0.07 -1.18 0.00 0.00 179.01 179.18 2ot3 h ARG 80 N 0.63 0.00 -0.56 1.92 0.11 -1.99 -0.67 114.38 113.83 2ot3 h ARG 80 Ca 0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.54 2ot3 h ARG 80 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2ot3 h ARG 80 CO -0.36 0.00 0.00 1.19 0.10 0.00 0.00 179.97 180.90 2ot3 n PHE 81 N -3.04 1.63 -0.17 4.08 3.72 -0.37 -4.71 117.46 118.61 2ot3 n PHE 81 Ca -0.01 -0.69 0.02 0.00 -0.05 0.00 0.00 57.45 56.71 2ot3 n PHE 81 Cb 0.34 -0.36 0.29 0.00 -0.94 0.00 0.00 39.48 38.82 2ot3 n PHE 81 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2ot3 h HIS 82 N 3.70 0.84 0.00 1.38 2.76 -1.18 -2.10 115.15 120.55 2ot3 h HIS 82 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2ot3 h HIS 82 Cb 1.65 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 30.32 2ot3 h HIS 82 CO 0.85 0.53 0.00 0.00 -1.30 0.00 0.00 177.93 178.01 2ot3 n ALA 83 N -2.43 2.12 0.41 5.26 0.00 -1.26 -3.61 120.51 121.00 2ot3 n ALA 83 Ca 0.07 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2ot3 n ALA 83 Cb 0.05 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.20 2ot3 n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ot3 n LEU 84 N -1.38 0.70 -0.38 0.00 4.77 -0.79 -4.53 117.00 115.40 2ot3 n LEU 84 Ca 0.09 0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 56.15 2ot3 n LEU 84 Cb 0.22 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 2ot3 n LEU 84 CO 0.19 -0.07 0.46 0.61 -1.33 0.00 0.00 177.39 177.26 2ot3 n GLY 85 N 1.30 -2.54 0.33 -0.72 0.00 -1.24 -1.41 105.19 100.91 2ot3 n GLY 85 Ca 0.02 1.11 0.21 0.00 0.00 0.00 0.00 46.02 47.35 2ot3 n GLY 85 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ot3 h PRO 86 N 0.00 0.32 -0.15 1.61 0.11 -1.89 0.12 132.00 132.12 2ot3 h PRO 86 Ca 0.14 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.25 2ot3 h PRO 86 Cb 0.37 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 2ot3 h PRO 86 CO -0.84 0.21 0.06 0.82 -0.21 0.00 0.00 178.00 178.03 2ot3 h ILE 87 N 0.33 0.97 -0.60 4.15 2.04 -1.55 -1.99 117.51 120.87 2ot3 h ILE 87 Ca 0.68 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 66.46 2ot3 h ILE 87 Cb 1.49 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 2ot3 h ILE 87 CO -0.60 0.02 0.24 1.88 0.00 0.00 0.00 178.15 179.69 2ot3 h TYR 88 N 0.13 0.91 0.00 1.37 0.05 -0.94 -3.31 116.97 115.18 2ot3 h TYR 88 Ca 0.06 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2ot3 h TYR 88 Cb 0.03 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.50 2ot3 h TYR 88 CO -0.10 0.72 0.00 1.88 -1.05 0.00 0.00 178.16 179.61 2ot3 h TYR 89 N 0.83 0.00 -1.61 4.88 0.05 -0.42 -3.46 116.97 117.24 2ot3 h TYR 89 Ca 0.20 0.00 -0.71 0.00 0.05 0.00 0.00 58.73 58.27 2ot3 h TYR 89 Cb 0.20 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.97 2ot3 h TYR 89 CO 0.01 0.00 0.74 -2.13 -1.05 0.00 0.00 178.16 175.73 2ot3 n ARG 90 N -3.03 1.18 -1.23 4.88 0.63 -0.79 -1.42 116.66 116.89 2ot3 n ARG 90 Ca 0.02 0.43 -0.08 0.00 -0.92 0.00 0.00 57.85 57.31 2ot3 n ARG 90 Cb 0.42 -2.10 -0.03 0.00 0.45 0.00 0.00 32.46 31.19 2ot3 n ARG 90 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2ot3 n ASP 91 N 4.31 -4.61 -4.74 6.15 8.00 -1.26 -4.99 116.55 119.41 2ot3 n ASP 91 Ca 0.23 0.19 -0.37 0.00 0.71 0.00 0.00 54.79 55.56 2ot3 n ASP 91 Cb 0.16 -2.80 0.05 0.00 -0.02 0.00 0.00 41.12 38.51 2ot3 n ASP 91 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2ot3 s SER 92 N -2.55 5.00 -0.11 -2.24 0.01 -0.50 -4.77 113.70 108.54 2ot3 s SER 92 Ca 0.00 2.56 0.20 0.00 1.31 0.00 0.00 55.95 60.02 2ot3 s SER 92 Cb 0.00 -2.61 -0.29 0.00 0.21 0.00 0.00 66.02 63.32 2ot3 s SER 92 CO 0.00 -1.73 0.28 0.59 0.41 0.00 0.00 173.24 172.79 2ot3 n ASN 93 N -1.56 0.05 -3.92 2.44 3.02 0.14 -4.72 115.26 110.70 2ot3 n ASN 93 Ca 0.14 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.60 2ot3 n ASN 93 Cb 0.48 1.51 -0.05 0.00 -0.61 0.00 0.00 39.78 41.12 2ot3 n ASN 93 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2ot3 s GLY 94 N -4.96 0.32 -0.07 7.41 0.00 -0.76 -1.79 107.32 107.47 2ot3 s GLY 94 Ca -0.09 -0.67 -0.05 0.00 0.00 0.00 0.00 44.72 43.91 2ot3 s GLY 94 CO 0.86 -0.50 0.18 0.00 0.00 0.00 0.00 173.10 173.64 2ot3 s ALA 95 N -3.97 -0.41 -0.28 3.20 0.00 -0.13 -1.57 121.76 118.60 2ot3 s ALA 95 Ca 0.18 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2ot3 s ALA 95 Cb -0.01 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.78 2ot3 s ALA 95 CO 0.05 -0.12 -0.05 0.42 0.00 0.00 0.00 175.76 176.06 2ot3 s ILE 96 N 0.53 2.65 -0.36 0.00 1.01 0.34 -0.60 121.20 124.77 2ot3 s ILE 96 Ca -0.04 -1.43 -0.10 0.00 0.00 0.00 0.00 60.65 59.08 2ot3 s ILE 96 Cb -0.05 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.94 2ot3 s ILE 96 CO -0.03 -0.03 0.19 -0.76 0.00 0.00 0.00 174.94 174.31 2ot3 s LEU 97 N 1.20 4.60 -0.15 2.97 1.02 0.63 -0.34 118.68 128.61 2ot3 s LEU 97 Ca -0.06 -0.96 -0.09 0.00 0.02 0.00 0.00 54.13 53.05 2ot3 s LEU 97 Cb -0.19 -2.00 -0.04 0.00 0.02 0.00 0.00 46.19 43.97 2ot3 s LEU 97 CO -0.03 -0.36 0.15 -0.69 0.02 0.00 0.00 176.35 175.44 2ot3 s VAL 98 N 1.54 5.45 0.29 -1.59 1.01 -0.51 -0.28 120.40 126.32 2ot3 s VAL 98 Ca 0.02 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.27 2ot3 s VAL 98 Cb -0.19 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 2ot3 s VAL 98 CO 0.06 0.55 0.05 -0.72 0.00 0.00 0.00 175.10 175.03 2ot3 s TYR 99 N -0.48 1.79 -0.25 5.22 -0.85 -0.11 -4.49 117.35 118.19 2ot3 s TYR 99 Ca 0.13 -0.98 -0.07 0.00 -0.52 0.00 0.00 57.07 55.63 2ot3 s TYR 99 Cb -0.12 -1.12 -0.03 0.00 0.38 0.00 0.00 41.96 41.08 2ot3 s TYR 99 CO 0.02 -0.05 0.07 0.34 -1.52 0.00 0.00 175.55 174.40 2ot3 s ASP 100 N -3.41 5.11 0.39 -0.18 -1.08 -1.26 -0.72 116.67 115.52 2ot3 s ASP 100 Ca 0.35 -0.21 0.27 0.00 -0.52 0.00 0.00 52.55 52.44 2ot3 s ASP 100 Cb 0.08 -1.92 1.41 0.00 -1.46 0.00 0.00 42.92 41.03 2ot3 s ASP 100 CO 0.13 -0.03 1.83 0.16 0.52 0.00 0.00 175.17 177.78 2ot3 h ILE 101 N 5.54 0.00 -0.01 4.11 3.07 -1.75 0.31 117.51 128.78 2ot3 h ILE 101 Ca -0.38 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 65.97 2ot3 h ILE 101 Cb 1.17 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 2ot3 h ILE 101 CO 0.58 0.00 -0.22 0.35 -1.05 0.00 0.00 178.15 177.81 2ot3 n THR 102 N -2.46 0.00 -3.78 0.16 -2.24 -1.26 0.18 114.28 104.87 2ot3 n THR 102 Ca -0.01 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.30 2ot3 n THR 102 Cb 0.08 0.50 -0.14 0.00 -2.10 0.00 0.00 70.33 68.67 2ot3 n THR 102 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ot3 s ASP 103 N -2.39 4.06 0.55 3.42 -1.08 0.10 -4.41 116.67 116.92 2ot3 s ASP 103 Ca 0.27 -2.05 0.25 0.00 -0.52 0.00 0.00 52.55 50.50 2ot3 s ASP 103 Cb 0.20 -1.07 1.58 0.00 -1.46 0.00 0.00 42.92 42.17 2ot3 s ASP 103 CO 0.48 -0.36 2.18 1.05 0.52 0.00 0.00 175.17 179.04 2ot3 h GLU 104 N 7.58 0.00 -0.45 4.34 9.09 -1.85 -1.54 114.58 131.75 2ot3 h GLU 104 Ca -0.08 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.25 2ot3 h GLU 104 Cb 0.99 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.07 2ot3 h GLU 104 CO 0.49 0.03 -0.04 -0.44 0.05 0.00 0.00 179.01 179.11 2ot3 h ASP 105 N 0.00 0.73 -0.03 3.06 3.32 -1.93 -1.49 116.42 120.08 2ot3 h ASP 105 Ca -0.00 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.80 2ot3 h ASP 105 Cb 0.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2ot3 h ASP 105 CO 0.00 0.82 -0.16 0.77 -1.72 0.00 0.00 179.24 178.95 2ot3 h SER 106 N 0.70 0.36 -0.24 6.45 4.64 -1.60 -1.82 113.55 122.04 2ot3 h SER 106 Ca 0.13 -0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.21 2ot3 h SER 106 Cb 0.48 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2ot3 h SER 106 CO 0.02 0.55 -0.45 0.15 -0.87 0.00 0.00 176.83 176.22 2ot3 h PHE 107 N 0.34 0.92 -1.00 4.77 3.57 -1.35 -3.00 116.94 121.20 2ot3 h PHE 107 Ca 0.06 -0.33 0.09 0.00 3.53 0.00 0.00 57.97 61.33 2ot3 h PHE 107 Cb 0.49 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.98 2ot3 h PHE 107 CO 0.01 1.12 0.64 0.37 -2.23 0.00 0.00 178.31 178.21 2ot3 h GLN 108 N 0.45 1.05 -0.97 1.11 5.75 -1.01 -1.88 115.11 119.62 2ot3 h GLN 108 Ca 0.01 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 2ot3 h GLN 108 Cb 1.06 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 29.32 2ot3 h GLN 108 CO 0.10 0.70 0.64 0.87 -2.65 0.00 0.00 178.83 178.49 2ot3 h LYS 109 N 1.08 1.25 -0.47 1.69 1.57 -1.24 -2.75 116.57 117.71 2ot3 h LYS 109 Ca 0.46 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 59.20 2ot3 h LYS 109 Cb 0.32 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2ot3 h LYS 109 CO -0.22 0.83 0.25 0.28 -0.57 0.00 0.00 179.45 180.02 2ot3 h VAL 110 N 1.29 0.99 -0.90 0.50 2.07 -1.21 -1.77 116.25 117.22 2ot3 h VAL 110 Ca 0.36 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.77 2ot3 h VAL 110 Cb -0.11 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 2ot3 h VAL 110 CO -0.09 0.09 0.58 0.11 0.02 0.00 0.00 177.57 178.29 2ot3 h LYS 111 N 0.49 1.02 -0.29 1.57 1.57 -1.20 0.89 116.57 120.63 2ot3 h LYS 111 Ca 0.20 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.74 2ot3 h LYS 111 Cb 0.08 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 2ot3 h LYS 111 CO -0.13 0.68 -0.52 -0.91 -0.57 0.00 0.00 179.45 178.00 2ot3 h ASN 112 N 1.05 0.94 -0.75 0.86 2.35 -1.39 -2.82 115.58 115.81 2ot3 h ASN 112 Ca 0.38 -0.49 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2ot3 h ASN 112 Cb 0.14 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 2ot3 h ASN 112 CO -0.13 1.28 0.45 -0.50 -1.65 0.00 0.00 177.43 176.88 2ot3 h TRP 113 N 0.66 0.99 -0.46 1.19 6.55 -0.48 -2.61 115.95 121.78 2ot3 h TRP 113 Ca 0.02 -0.00 0.04 0.00 0.95 0.00 0.00 58.89 59.90 2ot3 h TRP 113 Cb 1.12 -0.33 -0.04 0.00 -0.86 0.00 0.00 29.16 29.05 2ot3 h TRP 113 CO 0.07 0.67 0.22 0.28 -1.05 0.00 0.00 178.44 178.62 2ot3 h VAL 114 N 1.03 0.93 -0.84 1.49 2.07 -0.83 0.03 116.25 120.14 2ot3 h VAL 114 Ca 0.27 -0.15 0.13 0.00 0.82 0.00 0.00 66.70 67.77 2ot3 h VAL 114 Cb -0.03 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.12 2ot3 h VAL 114 CO -0.05 0.08 0.45 0.11 0.02 0.00 0.00 177.57 178.18 2ot3 h LYS 115 N 0.43 0.67 -0.19 1.57 1.57 -1.22 -1.04 116.57 118.36 2ot3 h LYS 115 Ca 0.21 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2ot3 h LYS 115 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2ot3 h LYS 115 CO -0.16 0.44 0.02 0.93 -0.57 0.00 0.00 179.45 180.11 2ot3 h GLU 116 N 0.69 0.33 -0.29 3.15 5.08 -1.02 -3.10 114.58 119.42 2ot3 h GLU 116 Ca 0.44 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2ot3 h GLU 116 Cb 0.54 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2ot3 h GLU 116 CO -0.32 0.50 0.17 -0.07 -1.00 0.00 0.00 179.01 178.30 2ot3 h LEU 117 N 0.11 0.34 0.00 1.33 3.38 -0.52 -1.51 115.31 118.43 2ot3 h LEU 117 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ot3 h LEU 117 Cb 0.34 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2ot3 h LEU 117 CO 0.01 0.26 0.00 0.54 0.09 0.00 0.00 178.44 179.34 2ot3 n ARG 118 N -4.48 0.04 -0.54 1.13 5.12 -0.44 -2.93 116.66 114.57 2ot3 n ARG 118 Ca 0.01 0.03 0.10 0.00 -1.93 0.00 0.00 57.85 56.06 2ot3 n ARG 118 Cb 0.08 -1.50 0.34 0.00 -1.16 0.00 0.00 32.46 30.22 2ot3 n ARG 118 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2ot3 n LYS 119 N -1.48 3.49 -2.92 5.56 5.02 -0.57 -4.95 118.16 122.31 2ot3 n LYS 119 Ca 0.07 -2.81 -0.41 0.00 -2.02 0.00 0.00 58.31 53.14 2ot3 n LYS 119 Cb 0.31 -1.80 -0.04 0.00 -0.02 0.00 0.00 35.03 33.48 2ot3 n LYS 119 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2ot3 s MET 120 N -1.68 4.31 -0.01 1.97 -1.94 -1.15 -5.00 119.30 115.81 2ot3 s MET 120 Ca 0.49 0.98 -0.30 0.00 -1.71 0.00 0.00 55.69 55.15 2ot3 s MET 120 Cb 0.31 -3.56 -0.07 0.00 2.01 0.00 0.00 34.83 33.52 2ot3 s MET 120 CO 0.25 -0.26 1.80 -1.17 -0.01 0.00 0.00 175.02 175.63 2ot3 s LEU 121 N 1.93 4.37 0.00 -0.03 2.96 -1.26 -4.77 118.68 121.88 2ot3 s LEU 121 Ca 0.38 2.44 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 2ot3 s LEU 121 Cb -0.17 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2ot3 s LEU 121 CO 0.13 -0.99 0.00 0.61 -1.32 0.00 0.00 176.35 174.78 2ot3 n GLY 122 N 4.33 0.79 3.71 7.98 0.00 -1.26 -4.73 105.19 116.01 2ot3 n GLY 122 Ca 0.19 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 2ot3 n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ot3 s ASN 123 N -4.00 3.50 -0.07 1.61 4.22 -1.26 -4.94 114.94 114.00 2ot3 s ASN 123 Ca 0.00 1.91 -0.30 0.00 -2.14 0.00 0.00 52.86 52.33 2ot3 s ASN 123 Cb 0.00 -2.48 -0.06 0.00 1.28 0.00 0.00 41.25 39.99 2ot3 s ASN 123 CO 0.00 -2.69 1.77 -0.70 -2.04 0.00 0.00 177.10 173.44 2ot3 s GLU 124 N -4.78 4.03 0.17 3.55 2.12 -1.26 -4.96 118.70 117.57 2ot3 s GLU 124 Ca 0.64 2.20 -0.31 0.00 0.36 0.00 0.00 54.97 57.86 2ot3 s GLU 124 Cb -0.20 -4.07 -0.09 0.00 0.26 0.00 0.00 34.13 30.03 2ot3 s GLU 124 CO 0.57 -1.04 1.41 0.42 -0.54 0.00 0.00 175.26 176.09 2ot3 s ILE 125 N 4.64 3.02 -0.30 -3.70 1.01 -1.26 -4.96 121.20 119.64 2ot3 s ILE 125 Ca 0.79 0.78 -0.29 0.00 0.00 0.00 0.00 60.65 61.93 2ot3 s ILE 125 Cb -0.34 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2ot3 s ILE 125 CO 0.33 0.09 1.25 0.00 0.00 0.00 0.00 174.94 176.60 2ot3 s LEU 127 N 4.19 4.34 -0.10 0.00 1.43 -1.26 -0.96 118.68 126.31 2ot3 s LEU 127 Ca 0.54 0.53 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 2ot3 s LEU 127 Cb -0.16 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 2ot3 s LEU 127 CO 0.21 0.27 -0.22 0.00 0.23 0.00 0.00 176.35 176.85 2ot3 s ILE 129 N 0.28 4.04 -0.27 0.00 1.01 0.07 -0.27 121.20 126.07 2ot3 s ILE 129 Ca -0.15 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 2ot3 s ILE 129 Cb -0.17 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.21 2ot3 s ILE 129 CO 0.08 0.02 -0.03 -0.69 0.00 0.00 0.00 174.94 174.32 2ot3 s VAL 130 N 1.50 3.01 -0.78 2.92 1.01 0.62 -1.43 120.40 127.25 2ot3 s VAL 130 Ca 0.02 -1.13 -0.23 0.00 0.00 0.00 0.00 61.98 60.64 2ot3 s VAL 130 Cb -0.18 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.67 2ot3 s VAL 130 CO 0.03 0.08 1.16 -0.83 0.00 0.00 0.00 175.10 175.53 2ot3 s GLY 131 N 1.31 1.31 0.51 4.51 0.00 -0.21 -0.94 107.32 113.82 2ot3 s GLY 131 Ca -0.02 -1.93 -0.05 0.00 0.00 0.00 0.00 44.72 42.72 2ot3 s GLY 131 CO -0.03 2.32 0.81 0.21 0.00 0.00 0.00 173.10 176.41 2ot3 s ASN 132 N 3.90 6.14 -0.69 1.64 2.47 0.10 -2.39 114.94 126.11 2ot3 s ASN 132 Ca 0.31 0.90 -0.01 0.00 0.42 0.00 0.00 52.86 54.48 2ot3 s ASN 132 Cb -0.10 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.55 2ot3 s ASN 132 CO 0.05 -0.68 0.58 0.29 -3.72 0.00 0.00 177.10 173.63 2ot3 n LYS 133 N -2.34 -3.88 0.00 0.43 5.02 -0.85 -2.17 118.16 114.37 2ot3 n LYS 133 Ca 0.01 0.47 0.06 0.00 -2.02 0.00 0.00 58.31 56.84 2ot3 n LYS 133 Cb 0.55 -4.38 0.29 0.00 -0.02 0.00 0.00 35.03 31.47 2ot3 n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2ot3 n ILE 134 N -3.03 1.06 0.68 -0.18 -5.35 -0.84 -1.05 119.36 110.64 2ot3 n ILE 134 Ca -0.12 0.26 0.08 0.00 -0.27 0.00 0.00 62.75 62.71 2ot3 n ILE 134 Cb 0.58 -1.04 0.39 0.00 -1.74 0.00 0.00 39.64 37.83 2ot3 n ILE 134 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2ot3 n ASP 135 N -1.48 0.00 -1.92 7.28 5.75 -1.26 -2.79 116.55 122.12 2ot3 n ASP 135 Ca 0.03 0.30 -0.23 0.00 -0.01 0.00 0.00 54.79 54.89 2ot3 n ASP 135 Cb 0.15 -0.41 0.05 0.00 -1.03 0.00 0.00 41.12 39.89 2ot3 n ASP 135 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2ot3 n LEU 136 N -1.41 5.19 0.28 -2.12 4.77 -0.22 -4.77 117.00 118.72 2ot3 n LEU 136 Ca 0.06 -4.56 0.15 0.00 -0.03 0.00 0.00 56.01 51.63 2ot3 n LEU 136 Cb 0.17 -0.48 0.82 0.00 -2.33 0.00 0.00 43.42 41.60 2ot3 n LEU 136 CO 0.14 1.91 1.02 -0.33 -1.33 0.00 0.00 177.39 178.80 2ot3 h GLU 137 N 2.00 0.00 -0.14 3.23 4.39 -1.69 -1.44 114.58 120.92 2ot3 h GLU 137 Ca 0.38 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.06 2ot3 h GLU 137 Cb 1.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.04 2ot3 h GLU 137 CO 0.82 0.08 0.02 1.57 -1.16 0.00 0.00 179.01 180.34 2ot3 h LYS 138 N 0.00 0.20 -0.34 2.33 5.09 -1.88 -2.96 116.57 119.01 2ot3 h LYS 138 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 60.65 60.71 2ot3 h LYS 138 Cb 0.28 -0.04 -0.01 0.00 0.10 0.00 0.00 32.23 32.57 2ot3 h LYS 138 CO 0.01 0.20 0.01 0.39 -2.09 0.00 0.00 179.45 177.96 2ot3 n GLU 139 N -4.44 3.31 -2.46 0.07 1.02 -0.55 -5.04 120.64 112.55 2ot3 n GLU 139 Ca -0.01 -2.93 -0.38 0.00 -0.02 0.00 0.00 57.16 53.83 2ot3 n GLU 139 Cb 0.14 -1.94 -0.03 0.00 -0.02 0.00 0.00 31.44 29.58 2ot3 n GLU 139 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2ot3 s ARG 140 N -2.84 4.22 -0.01 3.49 1.70 -1.12 -4.51 118.95 119.88 2ot3 s ARG 140 Ca 0.45 1.66 0.06 0.00 -0.47 0.00 0.00 55.73 57.43 2ot3 s ARG 140 Cb 0.36 -2.70 -0.09 0.00 -0.57 0.00 0.00 34.95 31.96 2ot3 s ARG 140 CO 0.10 -0.13 0.13 0.72 -1.08 0.00 0.00 175.30 175.05 2ot3 n HIS 141 N 0.20 0.00 -3.71 5.89 8.25 0.13 -4.92 115.22 121.07 2ot3 n HIS 141 Ca 0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.13 2ot3 n HIS 141 Cb 0.48 -0.12 -0.12 0.00 1.12 0.00 0.00 29.99 31.35 2ot3 n HIS 141 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2ot3 s VAL 142 N -2.31 4.58 0.50 1.59 1.01 -0.72 -4.83 120.40 120.23 2ot3 s VAL 142 Ca -0.02 -0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 2ot3 s VAL 142 Cb 0.04 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 2ot3 s VAL 142 CO 0.23 0.31 1.11 -0.94 0.00 0.00 0.00 175.10 175.82 2ot3 s SER 143 N 1.65 6.01 0.20 3.32 1.04 -1.26 -4.93 113.70 119.74 2ot3 s SER 143 Ca 0.07 2.15 -0.10 0.00 0.48 0.00 0.00 55.95 58.54 2ot3 s SER 143 Cb -0.15 -2.58 0.19 0.00 0.10 0.00 0.00 66.02 63.57 2ot3 s SER 143 CO 0.06 -1.02 1.84 0.40 0.98 0.00 0.00 173.24 175.50 2ot3 h ILE 144 N 1.48 1.08 -0.70 -1.02 2.04 -1.99 -2.17 117.51 116.23 2ot3 h ILE 144 Ca -0.50 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 2ot3 h ILE 144 Cb 1.25 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2ot3 h ILE 144 CO 0.58 0.15 0.42 1.56 0.00 0.00 0.00 178.15 180.86 2ot3 h GLN 145 N 0.81 0.95 -0.41 2.37 7.50 -1.99 -0.88 115.11 123.46 2ot3 h GLN 145 Ca 0.28 -0.09 -0.03 0.00 0.50 0.00 0.00 58.65 59.31 2ot3 h GLN 145 Cb 0.04 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.35 2ot3 h GLN 145 CO -0.11 0.68 0.16 1.49 -1.50 0.00 0.00 178.83 179.54 2ot3 h GLU 146 N 0.95 0.62 -0.32 1.46 4.81 -1.86 -1.57 114.58 118.66 2ot3 h GLU 146 Ca 0.25 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2ot3 h GLU 146 Cb -0.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2ot3 h GLU 146 CO -0.05 0.59 0.09 0.00 -0.73 0.00 0.00 179.01 178.91 2ot3 h ALA 147 N 1.00 0.42 -0.31 2.92 0.00 -1.11 0.12 119.26 122.31 2ot3 h ALA 147 Ca 0.14 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2ot3 h ALA 147 Cb 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ot3 h ALA 147 CO -0.01 0.07 -0.46 0.93 0.00 0.00 0.00 179.25 179.78 2ot3 h GLU 148 N 0.36 0.86 -0.53 0.00 5.08 -1.17 -0.62 114.58 118.57 2ot3 h GLU 148 Ca 0.10 -0.51 -0.10 0.00 -1.00 0.00 0.00 59.36 57.85 2ot3 h GLU 148 Cb 0.26 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2ot3 h GLU 148 CO -0.00 1.15 -0.08 1.03 -1.00 0.00 0.00 179.01 180.11 2ot3 h SER 149 N 0.64 0.98 0.12 1.42 0.87 -1.28 -1.59 113.55 114.71 2ot3 h SER 149 Ca 0.03 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2ot3 h SER 149 Cb 1.06 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2ot3 h SER 149 CO 0.11 1.09 -0.08 0.22 -0.53 0.00 0.00 176.83 177.64 2ot3 h TYR 150 N 0.85 -0.21 -0.24 2.24 3.20 -0.66 -2.44 116.97 119.72 2ot3 h TYR 150 Ca 0.14 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.07 2ot3 h TYR 150 Cb 0.63 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.91 2ot3 h TYR 150 CO 0.05 -0.13 -0.24 0.00 -1.64 0.00 0.00 178.16 176.20 2ot3 h ALA 151 N 0.68 -0.14 -0.99 1.82 0.00 -0.92 -0.90 119.26 118.81 2ot3 h ALA 151 Ca -0.01 0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.13 2ot3 h ALA 151 Cb 0.17 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 2ot3 h ALA 151 CO 0.00 -0.67 0.62 1.05 0.00 0.00 0.00 179.25 180.25 2ot3 h GLU 152 N -0.25 0.82 0.00 0.00 -0.00 -1.32 0.16 114.58 114.00 2ot3 h GLU 152 Ca 0.13 -0.05 -0.03 0.00 -0.00 0.00 0.00 59.36 59.41 2ot3 h GLU 152 Cb 0.46 -0.19 -0.00 0.00 -0.00 0.00 0.00 28.75 29.02 2ot3 h GLU 152 CO -0.38 0.55 -0.16 0.66 -0.00 0.00 0.00 179.01 179.67 2ot3 h SER 153 N 0.85 0.00 -0.31 3.06 4.64 -0.65 -2.40 113.55 118.74 2ot3 h SER 153 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2ot3 h SER 153 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2ot3 h SER 153 CO -0.31 0.16 0.00 1.33 -0.87 0.00 0.00 176.83 177.14 2ot3 n VAL 154 N -3.74 2.08 -1.81 0.95 0.24 -0.78 -4.95 118.33 110.31 2ot3 n VAL 154 Ca -0.02 -1.68 -0.16 0.00 -2.04 0.00 0.00 64.34 60.45 2ot3 n VAL 154 Cb 0.27 -0.11 -0.04 0.00 -1.47 0.00 0.00 33.84 32.49 2ot3 n VAL 154 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ot3 n GLY 155 N -0.21 0.81 4.00 7.63 0.00 -0.91 -5.00 105.19 111.52 2ot3 n GLY 155 Ca 0.20 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 2ot3 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ot3 s ALA 156 N -2.67 4.35 0.07 4.61 0.00 0.51 -4.70 121.76 123.92 2ot3 s ALA 156 Ca 0.00 -1.62 0.08 0.00 0.00 0.00 0.00 51.96 50.43 2ot3 s ALA 156 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 2ot3 s ALA 156 CO 0.00 -0.48 -0.20 0.15 0.00 0.00 0.00 175.76 175.22 2ot3 s LYS 157 N -4.51 1.89 -0.05 0.00 1.02 -0.98 -3.83 119.74 113.29 2ot3 s LYS 157 Ca 0.56 -1.09 0.02 0.00 0.02 0.00 0.00 55.97 55.48 2ot3 s LYS 157 Cb -0.10 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 2ot3 s LYS 157 CO 0.35 0.51 -0.07 -1.58 -0.92 0.00 0.00 175.35 173.64 2ot3 s HIS 158 N -0.98 2.91 0.03 3.18 5.65 -1.26 -0.75 115.29 124.08 2ot3 s HIS 158 Ca 0.15 -0.01 0.03 0.00 0.25 0.00 0.00 55.06 55.48 2ot3 s HIS 158 Cb -0.10 -1.68 -0.02 0.00 -1.18 0.00 0.00 32.58 29.60 2ot3 s HIS 158 CO 0.06 0.33 -0.08 0.71 -0.65 0.00 0.00 174.74 175.11 2ot3 s TYR 159 N -0.85 0.72 -0.12 3.88 2.02 -0.51 -4.96 117.35 117.54 2ot3 s TYR 159 Ca 0.14 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.38 2ot3 s TYR 159 Cb -0.11 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 40.98 2ot3 s TYR 159 CO 0.03 -0.05 0.07 -1.01 -1.57 0.00 0.00 175.55 173.02 2ot3 s HIS 160 N -1.07 3.34 0.08 2.71 3.76 -1.26 -1.04 115.29 121.81 2ot3 s HIS 160 Ca -0.06 0.29 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 2ot3 s HIS 160 Cb -0.08 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 2ot3 s HIS 160 CO 0.01 0.50 -0.05 0.95 -0.85 0.00 0.00 174.74 175.29 2ot3 s THR 161 N -0.67 0.54 -0.29 1.30 -4.23 -1.01 -4.43 115.64 106.85 2ot3 s THR 161 Ca 0.12 -1.87 -0.03 0.00 -1.18 0.00 0.00 61.69 58.73 2ot3 s THR 161 Cb -0.12 -1.60 0.10 0.00 1.34 0.00 0.00 72.50 72.22 2ot3 s THR 161 CO 0.02 -0.90 0.11 -0.55 -0.54 0.00 0.00 174.62 172.77 2ot3 s SER 162 N -2.96 3.68 0.27 3.99 0.15 -0.44 -1.99 113.70 116.40 2ot3 s SER 162 Ca 0.10 -1.39 -0.04 0.00 0.70 0.00 0.00 55.95 55.31 2ot3 s SER 162 Cb 0.06 -0.57 0.33 0.00 -1.71 0.00 0.00 66.02 64.13 2ot3 s SER 162 CO -0.06 -0.42 1.90 0.00 1.20 0.00 0.00 173.24 175.86 2ot3 h ALA 163 N 8.27 1.27 -0.69 5.45 0.00 -1.92 0.77 119.26 132.42 2ot3 h ALA 163 Ca -0.17 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.75 2ot3 h ALA 163 Cb 1.02 -0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 2ot3 h ALA 163 CO 0.44 0.61 0.26 -0.22 0.00 0.00 0.00 179.25 180.34 2ot3 h LYS 164 N 1.16 0.42 -0.36 0.00 1.63 -1.95 -2.67 116.57 114.79 2ot3 h LYS 164 Ca 0.30 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 2ot3 h LYS 164 Cb -0.01 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 2ot3 h LYS 164 CO -0.05 0.28 0.00 1.04 -3.45 0.00 0.00 179.45 177.26 2ot3 n GLN 165 N -5.00 3.18 -4.15 1.90 3.00 -1.03 -5.00 117.38 110.28 2ot3 n GLN 165 Ca 0.12 -2.65 -0.39 0.00 -0.01 0.00 0.00 57.00 54.06 2ot3 n GLN 165 Cb 0.34 -1.72 -0.03 0.00 0.00 0.00 0.00 30.24 28.83 2ot3 n GLN 165 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2ot3 n ASN 166 N 0.09 -2.04 -4.44 1.08 3.02 0.16 -4.99 115.26 108.15 2ot3 n ASN 166 Ca 0.20 -1.27 -0.32 0.00 -0.03 0.00 0.00 54.58 53.15 2ot3 n ASN 166 Cb 0.79 -1.75 -0.14 0.00 -0.61 0.00 0.00 39.78 38.06 2ot3 n ASN 166 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ot3 s LYS 167 N -7.34 2.40 0.00 3.52 1.02 -0.60 -4.80 119.74 113.93 2ot3 s LYS 167 Ca 0.28 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.51 2ot3 s LYS 167 Cb -0.15 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 2ot3 s LYS 167 CO 0.98 0.61 0.00 0.41 -0.92 0.00 0.00 175.35 176.42 2ot3 n GLY 168 N 2.32 2.42 0.17 -3.33 0.00 -1.26 -1.32 105.19 104.19 2ot3 n GLY 168 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 2ot3 n GLY 168 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ot3 h ILE 169 N 0.00 0.79 -0.27 -0.61 2.04 -1.87 -2.14 117.51 115.45 2ot3 h ILE 169 Ca 0.00 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.50 2ot3 h ILE 169 Cb 0.00 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2ot3 h ILE 169 CO 0.00 0.08 0.12 -0.33 0.00 0.00 0.00 178.15 178.03 2ot3 h GLU 170 N -0.55 0.26 -0.75 2.37 5.08 -1.94 -2.73 114.58 116.32 2ot3 h GLU 170 Ca -0.04 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2ot3 h GLU 170 Cb 0.40 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2ot3 h GLU 170 CO 0.06 0.17 0.44 0.93 -1.00 0.00 0.00 179.01 179.61 2ot3 h GLU 171 N 0.27 0.79 0.14 2.33 3.07 -1.97 -1.36 114.58 117.85 2ot3 h GLU 171 Ca 0.11 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.94 2ot3 h GLU 171 Cb 0.05 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 27.74 2ot3 h GLU 171 CO -0.09 0.52 -0.32 1.25 -1.40 0.00 0.00 179.01 178.98 2ot3 h LEU 172 N 0.81 -0.90 -0.31 1.33 5.85 -1.08 -0.66 115.31 120.35 2ot3 h LEU 172 Ca 0.33 0.10 -0.18 0.00 0.84 0.00 0.00 57.88 58.97 2ot3 h LEU 172 Cb 0.18 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2ot3 h LEU 172 CO -0.18 -0.41 -0.53 -0.26 -0.34 0.00 0.00 178.44 176.72 2ot3 h PHE 173 N -0.55 1.11 -0.02 1.25 0.04 -1.28 -1.34 116.94 116.15 2ot3 h PHE 173 Ca 0.02 -0.39 0.02 0.00 2.80 0.00 0.00 57.97 60.42 2ot3 h PHE 173 Cb 0.57 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 2ot3 h PHE 173 CO -0.27 1.22 -0.10 1.25 -0.60 0.00 0.00 178.31 179.81 2ot3 h LEU 174 N 0.68 -0.29 -0.71 1.54 5.85 -1.24 -2.00 115.31 119.14 2ot3 h LEU 174 Ca 0.02 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2ot3 h LEU 174 Cb 1.14 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 2ot3 h LEU 174 CO 0.12 -0.14 0.34 -0.78 -0.34 0.00 0.00 178.44 177.64 2ot3 h ASP 175 N -0.16 0.93 -0.55 1.25 3.58 -0.98 -1.98 116.42 118.51 2ot3 h ASP 175 Ca 0.04 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 2ot3 h ASP 175 Cb 0.22 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 2ot3 h ASP 175 CO -0.11 0.80 0.33 0.25 -2.88 0.00 0.00 179.24 177.63 2ot3 h LEU 176 N 1.00 0.66 -0.16 2.28 5.85 -1.08 0.11 115.31 123.97 2ot3 h LEU 176 Ca 0.25 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 2ot3 h LEU 176 Cb 0.12 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2ot3 h LEU 176 CO -0.03 0.52 0.08 0.00 -0.34 0.00 0.00 178.44 178.68 2ot3 h LYS 178 N 0.14 -0.09 -0.64 0.00 1.57 -1.08 0.37 116.57 116.85 2ot3 h LYS 178 Ca 0.06 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2ot3 h LYS 178 Cb 0.10 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2ot3 h LYS 178 CO -0.01 -0.06 0.31 0.00 -0.57 0.00 0.00 179.45 179.12 2ot3 h ARG 179 N -0.10 0.90 0.00 3.15 3.08 -0.04 -2.10 114.38 119.27 2ot3 h ARG 179 Ca 0.26 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 60.05 2ot3 h ARG 179 Cb 0.50 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2ot3 h ARG 179 CO -0.64 0.69 -0.71 0.52 -1.07 0.00 0.00 179.97 178.77 2ot3 h MET 180 N 0.90 0.00 0.10 0.04 2.86 0.56 -3.10 114.93 116.29 2ot3 h MET 180 Ca 0.22 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2ot3 h MET 180 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2ot3 h MET 180 CO -0.03 0.71 -0.05 0.82 1.06 0.00 0.00 176.91 179.42 2ot3 h ILE 181 N 0.00 1.07 0.00 -1.22 2.04 -0.71 -3.51 117.51 115.17 2ot3 h ILE 181 Ca -0.01 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2ot3 h ILE 181 Cb 1.28 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 2ot3 h ILE 181 CO 0.09 0.15 0.00 -0.62 0.00 0.00 0.00 178.15 177.77