#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ma4 s GLN 7 N 0.00 4.20 -0.28 0.54 -0.21 -1.26 -4.75 119.66 117.89 3ma4 s GLN 7 Ca 0.00 2.38 0.03 0.00 0.02 0.00 0.00 55.36 57.79 3ma4 s GLN 7 Cb 0.00 -3.39 0.07 0.00 1.00 0.00 0.00 33.01 30.68 3ma4 s GLN 7 CO 0.00 -0.69 -0.06 0.08 -2.12 0.00 0.00 175.29 172.49 3ma4 s VAL 8 N 1.97 2.30 -0.13 1.09 1.01 -1.26 -0.03 120.40 125.35 3ma4 s VAL 8 Ca 0.73 -1.74 0.02 0.00 0.00 0.00 0.00 61.98 60.99 3ma4 s VAL 8 Cb -0.42 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.55 3ma4 s VAL 8 CO 0.32 -0.15 -0.20 -0.70 0.00 0.00 0.00 175.10 174.37 3ma4 s GLU 9 N 1.08 2.83 -0.12 2.72 2.12 0.38 -1.32 118.70 126.39 3ma4 s GLU 9 Ca -0.05 -0.79 -0.05 0.00 0.36 0.00 0.00 54.97 54.45 3ma4 s GLU 9 Cb -0.20 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 3ma4 s GLU 9 CO -0.05 -0.02 0.06 -1.17 -0.54 0.00 0.00 175.26 173.54 3ma4 s LEU 10 N 0.83 3.88 -0.14 2.70 2.96 -0.59 -0.75 118.68 127.57 3ma4 s LEU 10 Ca -0.08 0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 3ma4 s LEU 10 Cb -0.15 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 3ma4 s LEU 10 CO -0.01 0.34 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.90 3ma4 s PHE 11 N -0.63 2.88 0.17 5.38 0.08 -0.47 -0.09 117.98 125.29 3ma4 s PHE 11 Ca 0.11 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.66 3ma4 s PHE 11 Cb -0.12 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 3ma4 s PHE 11 CO 0.02 -0.13 0.02 0.14 -0.10 0.00 0.00 175.22 175.17 3ma4 s VAL 12 N 0.31 0.50 0.07 -0.44 -7.23 -0.16 -2.20 120.40 111.25 3ma4 s VAL 12 Ca -0.08 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 57.82 3ma4 s VAL 12 Cb -0.15 -2.13 -0.07 0.00 0.56 0.00 0.00 36.38 34.59 3ma4 s VAL 12 CO 0.05 -0.44 1.37 -0.75 -0.31 0.00 0.00 175.10 175.01 3ma4 s LYS 13 N -3.96 4.32 0.34 4.82 2.47 -1.26 -0.05 119.74 126.43 3ma4 s LYS 13 Ca 0.25 2.00 -0.11 0.00 -1.56 0.00 0.00 55.97 56.55 3ma4 s LYS 13 Cb 0.07 -3.37 -0.07 0.00 -1.46 0.00 0.00 37.83 32.99 3ma4 s LYS 13 CO 0.04 -0.46 0.70 0.00 0.16 0.00 0.00 175.35 175.79 3ma4 s ALA 14 N 1.55 3.41 0.82 3.13 0.00 -0.21 -1.03 121.76 129.42 3ma4 s ALA 14 Ca 0.64 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3ma4 s ALA 14 Cb -0.34 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.15 3ma4 s ALA 14 CO 0.29 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.64 3ma4 n GLY 15 N -0.86 -0.37 0.31 0.00 0.00 0.20 -4.08 105.19 100.39 3ma4 n GLY 15 Ca 0.02 -1.72 0.06 0.00 0.00 0.00 0.00 46.02 44.38 3ma4 n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ma4 h SER 16 N 0.00 0.55 0.08 1.61 4.64 -1.89 -0.76 113.55 117.78 3ma4 h SER 16 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3ma4 h SER 16 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3ma4 h SER 16 CO 0.00 0.25 0.00 -0.90 -0.87 0.00 0.00 176.83 175.31 3ma4 n ASP 17 N -4.85 0.00 -0.42 4.97 5.75 -1.26 -4.89 116.55 115.86 3ma4 n ASP 17 Ca 0.16 -0.71 -0.05 0.00 -0.01 0.00 0.00 54.79 54.18 3ma4 n ASP 17 Cb 0.40 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.42 3ma4 n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ma4 n GLY 18 N 0.72 0.78 1.71 6.12 0.00 -0.29 -4.85 105.19 109.37 3ma4 n GLY 18 Ca 0.19 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3ma4 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ma4 n ALA 19 N 1.10 3.00 -0.95 4.61 0.00 -1.26 -4.47 120.51 122.53 3ma4 n ALA 19 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 3ma4 n ALA 19 Cb 0.23 0.04 0.19 0.00 0.00 0.00 0.00 19.45 19.90 3ma4 n ALA 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3ma4 s LYS 20 N -1.49 0.32 -0.18 0.00 -2.85 -1.26 -4.68 119.74 109.60 3ma4 s LYS 20 Ca 0.00 0.80 -0.36 0.00 -1.00 0.00 0.00 55.97 55.41 3ma4 s LYS 20 Cb 0.00 -1.70 -0.12 0.00 -2.06 0.00 0.00 37.83 33.94 3ma4 s LYS 20 CO 0.00 -2.87 1.91 -0.89 0.10 0.00 0.00 175.35 173.60 3ma4 n ILE 21 N -4.32 0.45 -1.61 3.79 5.41 -1.26 0.60 119.36 122.43 3ma4 n ILE 21 Ca 0.06 -0.13 -0.29 0.00 1.00 0.00 0.00 62.75 63.38 3ma4 n ILE 21 Cb 0.55 -1.70 0.16 0.00 -0.71 0.00 0.00 39.64 37.94 3ma4 n ILE 21 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3ma4 s GLY 22 N 4.61 1.64 -0.06 7.39 0.00 -0.20 -4.13 107.32 116.58 3ma4 s GLY 22 Ca 0.97 -0.81 -0.30 0.00 0.00 0.00 0.00 44.72 44.58 3ma4 s GLY 22 CO 0.54 -0.14 1.32 0.21 0.00 0.00 0.00 173.10 175.03 3ma4 s ASN 23 N -4.31 6.93 -0.30 1.64 2.47 -1.26 -4.75 114.94 115.35 3ma4 s ASN 23 Ca 0.68 1.93 -0.11 0.00 0.42 0.00 0.00 52.86 55.77 3ma4 s ASN 23 Cb -0.10 -2.55 0.18 0.00 -1.45 0.00 0.00 41.25 37.33 3ma4 s ASN 23 CO 0.53 -0.69 1.04 0.00 -3.72 0.00 0.00 177.10 174.25 3ma4 n PRO 25 N 5.21 0.21 0.00 0.00 -0.04 -1.26 -2.42 135.00 136.69 3ma4 n PRO 25 Ca 0.05 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 3ma4 n PRO 25 Cb 0.57 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 3ma4 n PRO 25 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ma4 n PHE 26 N -2.20 0.00 -0.31 0.54 3.72 -1.26 -1.91 117.46 116.04 3ma4 n PHE 26 Ca 0.04 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.55 3ma4 n PHE 26 Cb 0.30 -0.42 0.24 0.00 -0.94 0.00 0.00 39.48 38.66 3ma4 n PHE 26 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3ma4 n SER 27 N -1.75 -0.15 0.07 4.37 7.64 -1.22 0.99 113.62 123.57 3ma4 n SER 27 Ca 0.00 1.52 -0.12 0.00 1.01 0.00 0.00 58.87 61.28 3ma4 n SER 27 Cb 0.00 -0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 3ma4 n SER 27 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3ma4 h GLN 28 N 0.00 -0.13 -0.62 1.43 4.15 -1.49 -1.97 115.11 116.48 3ma4 h GLN 28 Ca 0.52 0.01 0.12 0.00 0.77 0.00 0.00 58.65 60.07 3ma4 h GLN 28 Cb 1.02 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.65 3ma4 h GLN 28 CO -0.86 -0.09 0.13 -0.09 -1.93 0.00 0.00 178.83 175.99 3ma4 h ARG 29 N -0.13 0.24 0.00 1.69 2.43 0.13 0.10 114.38 118.85 3ma4 h ARG 29 Ca 0.01 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3ma4 h ARG 29 Cb 0.14 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3ma4 h ARG 29 CO -0.04 0.16 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.29 3ma4 h LEU 30 N 0.25 0.00 -0.44 3.80 3.38 -0.97 -0.97 115.31 120.36 3ma4 h LEU 30 Ca 0.33 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.13 3ma4 h LEU 30 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ma4 h LEU 30 CO -0.42 0.22 -0.51 0.15 0.09 0.00 0.00 178.44 177.97 3ma4 h PHE 31 N 0.00 0.90 0.02 1.13 -0.00 -0.46 -0.79 116.94 117.73 3ma4 h PHE 31 Ca -0.00 -0.30 -0.26 0.00 -0.00 0.00 0.00 57.97 57.40 3ma4 h PHE 31 Cb 1.02 -0.17 0.02 0.00 -0.00 0.00 0.00 35.95 36.81 3ma4 h PHE 31 CO 0.00 1.08 -1.05 0.00 -0.00 0.00 0.00 178.31 178.34 3ma4 h ALA 32 N 0.86 0.17 -0.36 2.41 0.00 -0.53 -1.08 119.26 120.73 3ma4 h ALA 32 Ca 0.02 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 3ma4 h ALA 32 Cb 1.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3ma4 h ALA 32 CO 0.11 0.72 0.10 0.28 0.00 0.00 0.00 179.25 180.45 3ma4 h VAL 33 N 0.34 1.22 0.00 0.00 2.07 -1.06 0.18 116.25 119.00 3ma4 h VAL 33 Ca -0.13 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 3ma4 h VAL 33 Cb 1.70 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 3ma4 h VAL 33 CO 0.20 0.25 -0.28 -0.07 0.02 0.00 0.00 177.57 177.69 3ma4 h LEU 34 N 0.44 0.00 0.14 2.57 3.38 -0.94 -1.76 115.31 119.14 3ma4 h LEU 34 Ca 0.11 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.80 3ma4 h LEU 34 Cb 0.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 3ma4 h LEU 34 CO -0.00 0.28 -1.33 -0.25 0.09 0.00 0.00 178.44 177.23 3ma4 h TRP 35 N 0.00 0.53 -0.48 1.13 2.91 -0.82 -2.94 115.95 116.27 3ma4 h TRP 35 Ca -0.00 -0.39 -0.10 0.00 1.13 0.00 0.00 58.89 59.53 3ma4 h TRP 35 Cb 0.54 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.15 3ma4 h TRP 35 CO 0.00 1.33 -0.09 -0.07 -1.03 0.00 0.00 178.44 178.58 3ma4 h LEU 36 N 0.08 0.87 -1.02 0.65 3.38 -0.37 -3.13 115.31 115.77 3ma4 h LEU 36 Ca -0.17 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3ma4 h LEU 36 Cb 2.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3ma4 h LEU 36 CO 0.20 0.98 0.00 0.29 0.09 0.00 0.00 178.44 180.00 3ma4 n LYS 37 N -4.16 0.16 -0.61 1.13 4.76 -0.69 -4.80 118.16 113.95 3ma4 n LYS 37 Ca 0.02 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 3ma4 n LYS 37 Cb 0.37 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 3ma4 n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ma4 n GLY 38 N -0.66 0.82 3.76 0.72 0.00 -1.18 -4.29 105.19 104.35 3ma4 n GLY 38 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3ma4 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ma4 s VAL 39 N -2.58 2.41 0.22 1.61 0.11 -1.26 -4.97 120.40 115.94 3ma4 s VAL 39 Ca 0.00 0.31 -0.31 0.00 -2.93 0.00 0.00 61.98 59.05 3ma4 s VAL 39 Cb 0.00 -3.16 -0.11 0.00 -1.53 0.00 0.00 36.38 31.58 3ma4 s VAL 39 CO 0.00 -0.00 1.59 -0.89 -3.33 0.00 0.00 175.10 172.47 3ma4 s THR 40 N -1.38 2.35 0.18 5.04 2.01 -1.26 -4.92 115.64 117.66 3ma4 s THR 40 Ca 0.69 0.27 -0.18 0.00 0.31 0.00 0.00 61.69 62.78 3ma4 s THR 40 Cb -0.37 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.01 3ma4 s THR 40 CO 0.44 0.03 0.51 0.72 -0.69 0.00 0.00 174.62 175.62 3ma4 s PHE 41 N 0.67 -0.19 0.32 4.92 -0.12 -1.26 -4.42 117.98 117.90 3ma4 s PHE 41 Ca 0.68 -0.13 0.10 0.00 -0.05 0.00 0.00 56.93 57.53 3ma4 s PHE 41 Cb -0.46 0.38 -0.06 0.00 -0.63 0.00 0.00 43.02 42.26 3ma4 s PHE 41 CO 0.38 -0.86 -0.13 -0.80 -0.05 0.00 0.00 175.22 173.75 3ma4 s ASN 42 N -2.84 3.69 -0.06 1.98 0.01 -0.44 -5.02 114.94 112.26 3ma4 s ASN 42 Ca 0.07 -1.14 0.03 0.00 -0.71 0.00 0.00 52.86 51.11 3ma4 s ASN 42 Cb -0.00 -0.34 0.01 0.00 0.41 0.00 0.00 41.25 41.33 3ma4 s ASN 42 CO -0.06 -0.12 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.58 3ma4 s VAL 43 N -2.57 1.28 -0.10 1.60 1.01 -1.26 -1.54 120.40 118.81 3ma4 s VAL 43 Ca 0.32 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.75 3ma4 s VAL 43 Cb -0.00 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.25 3ma4 s VAL 43 CO 0.16 0.38 -0.23 -0.89 0.00 0.00 0.00 175.10 174.52 3ma4 s THR 44 N 0.41 1.98 0.26 3.92 2.01 0.87 -4.97 115.64 120.12 3ma4 s THR 44 Ca -0.11 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 60.87 3ma4 s THR 44 Cb -0.14 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 3ma4 s THR 44 CO 0.03 0.54 0.52 0.42 -0.69 0.00 0.00 174.62 175.44 3ma4 s THR 45 N 0.35 5.05 -0.06 -0.82 -4.23 -1.26 -0.99 115.64 113.68 3ma4 s THR 45 Ca -0.18 0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.43 3ma4 s THR 45 Cb -0.18 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 69.94 3ma4 s THR 45 CO 0.08 -0.25 -0.23 -0.69 -0.54 0.00 0.00 174.62 172.99 3ma4 s VAL 46 N -2.00 1.93 -0.43 2.29 1.01 0.93 -4.83 120.40 119.31 3ma4 s VAL 46 Ca 0.43 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 3ma4 s VAL 46 Cb -0.11 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.68 3ma4 s VAL 46 CO 0.28 0.54 0.32 -0.62 0.00 0.00 0.00 175.10 175.62 3ma4 s ASP 47 N -0.11 6.01 0.37 3.32 -1.08 -1.26 -1.04 116.67 122.88 3ma4 s ASP 47 Ca -0.04 -1.15 0.26 0.00 -0.52 0.00 0.00 52.55 51.10 3ma4 s ASP 47 Cb -0.13 -2.13 1.33 0.00 -1.46 0.00 0.00 42.92 40.53 3ma4 s ASP 47 CO 0.03 -0.53 1.80 0.71 0.52 0.00 0.00 175.17 177.71 3ma4 h THR 48 N 5.77 0.00 0.00 1.71 1.35 -1.96 0.68 112.91 120.46 3ma4 h THR 48 Ca -0.27 -0.08 -0.06 0.00 -0.55 0.00 0.00 66.41 65.45 3ma4 h THR 48 Cb 1.11 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 3ma4 h THR 48 CO 0.78 0.00 -1.10 0.11 -0.25 0.00 0.00 175.52 175.06 3ma4 h LYS 49 N 0.00 0.00 -2.06 4.72 1.57 -2.01 -3.40 116.57 115.39 3ma4 h LYS 49 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 3ma4 h LYS 49 Cb 0.11 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.02 3ma4 h LYS 49 CO 0.00 0.10 -0.99 -2.13 -0.57 0.00 0.00 179.45 175.86 3ma4 n ARG 50 N -2.77 1.30 -2.40 3.15 0.63 0.22 -5.10 116.66 111.69 3ma4 n ARG 50 Ca -0.03 -3.66 -0.33 0.00 -0.92 0.00 0.00 57.85 52.91 3ma4 n ARG 50 Cb 0.65 -1.59 -0.03 0.00 0.45 0.00 0.00 32.46 31.94 3ma4 n ARG 50 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3ma4 s ARG 51 N -1.85 3.75 0.53 -0.14 0.52 -1.14 -4.53 118.95 116.09 3ma4 s ARG 51 Ca 0.38 1.19 -0.07 0.00 -0.52 0.00 0.00 55.73 56.71 3ma4 s ARG 51 Cb 0.21 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.55 3ma4 s ARG 51 CO -0.09 -0.45 0.87 0.95 0.02 0.00 0.00 175.30 176.60 3ma4 s THR 52 N -2.29 4.80 0.26 0.02 -4.23 -1.26 -4.94 115.64 108.00 3ma4 s THR 52 Ca 0.64 0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 61.52 3ma4 s THR 52 Cb -0.14 -3.85 0.26 0.00 1.34 0.00 0.00 72.50 70.11 3ma4 s THR 52 CO 0.26 -0.93 1.87 -0.33 -0.54 0.00 0.00 174.62 174.96 3ma4 h GLU 53 N 0.04 1.09 0.80 3.99 5.08 -1.98 -0.83 114.58 122.77 3ma4 h GLU 53 Ca -0.46 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 57.80 3ma4 h GLU 53 Cb 1.20 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3ma4 h GLU 53 CO 0.62 0.72 -0.45 1.15 -1.00 0.00 0.00 179.01 180.05 3ma4 h THR 54 N 1.13 0.00 -0.63 1.13 2.02 -1.99 -0.64 112.91 113.93 3ma4 h THR 54 Ca 0.43 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.72 3ma4 h THR 54 Cb 0.20 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.53 3ma4 h THR 54 CO -0.18 0.00 0.21 0.58 0.37 0.00 0.00 175.52 176.49 3ma4 h VAL 55 N -1.15 0.71 -0.59 3.16 2.07 -1.91 0.28 116.25 118.82 3ma4 h VAL 55 Ca -0.11 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3ma4 h VAL 55 Cb 0.91 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3ma4 h VAL 55 CO 0.14 0.07 0.22 1.56 0.02 0.00 0.00 177.57 179.57 3ma4 h GLN 56 N 0.36 0.86 -0.11 1.57 4.20 -1.07 0.42 115.11 121.34 3ma4 h GLN 56 Ca 0.33 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 3ma4 h GLN 56 Cb 0.45 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 3ma4 h GLN 56 CO -0.35 0.71 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.22 3ma4 h LYS 57 N 0.84 0.24 0.29 1.46 3.64 -0.10 -3.21 116.57 119.74 3ma4 h LYS 57 Ca 0.20 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3ma4 h LYS 57 Cb 0.18 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3ma4 h LYS 57 CO -0.02 0.62 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.58 3ma4 h LEU 58 N -0.13 -0.33 -6.84 5.20 3.38 -0.12 -3.40 115.31 113.06 3ma4 h LEU 58 Ca 0.02 -0.03 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3ma4 h LEU 58 Cb 0.56 0.09 -0.40 0.00 0.09 0.00 0.00 40.66 41.00 3ma4 h LEU 58 CO 0.02 -0.19 -0.77 0.00 0.09 0.00 0.00 178.44 177.60 3ma4 h PRO 60 N 6.30 0.98 0.00 0.00 0.11 -1.78 -1.68 132.00 135.94 3ma4 h PRO 60 Ca 0.08 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3ma4 h PRO 60 Cb 0.90 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3ma4 h PRO 60 CO 0.48 0.65 0.00 0.78 -0.21 0.00 0.00 178.00 179.70 3ma4 h GLY 61 N 1.01 0.00 0.00 -0.55 0.00 -1.93 -3.46 103.07 98.14 3ma4 h GLY 61 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3ma4 h GLY 61 CO -0.20 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.95 3ma4 n GLY 62 N -0.02 0.70 3.72 4.60 0.00 -0.63 -4.99 105.19 108.56 3ma4 n GLY 62 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3ma4 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ma4 s GLN 63 N -0.34 1.98 -0.26 1.61 1.11 -1.26 -5.04 119.66 117.45 3ma4 s GLN 63 Ca 0.00 1.73 -0.13 0.00 0.01 0.00 0.00 55.36 56.98 3ma4 s GLN 63 Cb 0.00 -1.82 0.09 0.00 -1.01 0.00 0.00 33.01 30.27 3ma4 s GLN 63 CO 0.00 -1.95 0.61 -0.51 0.01 0.00 0.00 175.29 173.44 3ma4 s LEU 64 N -5.36 -0.82 0.71 2.90 1.43 -1.26 -4.43 118.68 111.85 3ma4 s LEU 64 Ca 0.73 1.38 -0.07 0.00 -1.03 0.00 0.00 54.13 55.14 3ma4 s LEU 64 Cb -0.28 2.10 0.06 0.00 0.03 0.00 0.00 46.19 48.10 3ma4 s LEU 64 CO 0.47 -0.23 1.03 -2.16 0.23 0.00 0.00 176.35 175.69 3ma4 s PRO 65 N 1.96 2.16 0.11 1.29 0.04 -1.26 -4.97 135.00 134.32 3ma4 s PRO 65 Ca -0.08 -0.25 -0.03 0.00 0.04 0.00 0.00 61.00 60.68 3ma4 s PRO 65 Cb -0.08 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 3ma4 s PRO 65 CO -0.18 -1.28 0.08 -0.59 0.04 0.00 0.00 177.00 175.08 3ma4 s PHE 66 N -3.27 0.62 -0.07 0.56 -0.12 -0.93 -4.42 117.98 110.34 3ma4 s PHE 66 Ca 0.60 -1.05 0.04 0.00 -0.05 0.00 0.00 56.93 56.47 3ma4 s PHE 66 Cb -0.11 -0.34 0.00 0.00 -0.63 0.00 0.00 43.02 41.94 3ma4 s PHE 66 CO 0.45 -0.51 -0.19 -1.17 -0.05 0.00 0.00 175.22 173.75 3ma4 s LEU 67 N -2.98 1.90 -0.24 -1.99 2.96 -0.17 -1.37 118.68 116.79 3ma4 s LEU 67 Ca 0.16 -0.43 -0.12 0.00 -0.22 0.00 0.00 54.13 53.52 3ma4 s LEU 67 Cb 0.07 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.58 3ma4 s LEU 67 CO -0.03 0.12 0.25 -0.22 -1.32 0.00 0.00 176.35 175.15 3ma4 s LEU 68 N 0.36 4.10 -0.11 -0.68 2.96 0.07 -0.88 118.68 124.50 3ma4 s LEU 68 Ca -0.14 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3ma4 s LEU 68 Cb -0.16 -2.25 0.03 0.00 0.50 0.00 0.00 46.19 44.31 3ma4 s LEU 68 CO 0.06 -0.02 -0.01 -0.47 -1.32 0.00 0.00 176.35 174.58 3ma4 s TYR 69 N 1.38 0.96 0.00 5.38 5.04 0.02 -0.47 117.35 129.66 3ma4 s TYR 69 Ca 0.11 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 3ma4 s TYR 69 Cb -0.15 -0.96 0.00 0.00 0.35 0.00 0.00 41.96 41.21 3ma4 s TYR 69 CO 0.07 -0.43 0.00 0.41 -1.34 0.00 0.00 175.55 174.26 3ma4 n GLY 70 N 5.07 0.60 0.00 8.97 0.00 0.95 -1.06 105.19 119.73 3ma4 n GLY 70 Ca -0.09 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3ma4 n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ma4 n THR 71 N 0.00 0.00 -2.85 2.61 -2.24 -1.26 -4.70 114.28 105.84 3ma4 n THR 71 Ca 0.00 -0.27 -0.39 0.00 -2.27 0.00 0.00 64.05 61.12 3ma4 n THR 71 Cb 0.00 1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 3ma4 n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ma4 s GLU 72 N -0.20 4.72 -0.28 -0.78 2.56 -0.22 -5.07 118.70 119.43 3ma4 s GLU 72 Ca 0.00 1.34 -0.08 0.00 0.00 0.00 0.00 54.97 56.23 3ma4 s GLU 72 Cb 0.00 -3.23 -0.01 0.00 2.00 0.00 0.00 34.13 32.89 3ma4 s GLU 72 CO 0.00 0.52 0.09 0.08 -0.56 0.00 0.00 175.26 175.39 3ma4 s VAL 73 N -1.20 4.24 -0.15 3.70 1.01 -1.26 -0.80 120.40 125.94 3ma4 s VAL 73 Ca 0.40 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 3ma4 s VAL 73 Cb -0.24 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3ma4 s VAL 73 CO 0.29 0.18 0.03 -1.00 0.00 0.00 0.00 175.10 174.60 3ma4 s HIS 74 N 1.57 3.20 0.38 5.22 3.76 -0.06 -4.98 115.29 124.39 3ma4 s HIS 74 Ca 0.05 0.05 0.06 0.00 -0.15 0.00 0.00 55.06 55.07 3ma4 s HIS 74 Cb -0.16 -1.97 -0.07 0.00 1.11 0.00 0.00 32.58 31.48 3ma4 s HIS 74 CO 0.04 0.23 0.03 0.95 -0.85 0.00 0.00 174.74 175.14 3ma4 s THR 75 N -0.05 1.74 0.00 1.30 -4.23 -1.26 -1.00 115.64 112.15 3ma4 s THR 75 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3ma4 s THR 75 Cb -0.12 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3ma4 s THR 75 CO 0.02 -0.00 0.00 -0.67 -0.54 0.00 0.00 174.62 173.42 3ma4 n ASP 76 N -0.88 -1.87 -0.31 3.99 -0.08 -1.26 -4.30 116.55 111.84 3ma4 n ASP 76 Ca -0.04 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.35 3ma4 n ASP 76 Cb 0.67 -0.93 0.29 0.00 2.34 0.00 0.00 41.12 43.48 3ma4 n ASP 76 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 3ma4 h THR 77 N 0.00 0.61 -0.14 5.18 2.02 -1.96 -0.19 112.91 118.44 3ma4 h THR 77 Ca 0.00 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 3ma4 h THR 77 Cb 0.00 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 3ma4 h THR 77 CO 0.00 0.10 -0.47 -1.13 0.37 0.00 0.00 175.52 174.39 3ma4 h ASN 78 N 0.55 0.38 0.03 4.18 -1.24 -1.99 0.11 115.58 117.61 3ma4 h ASN 78 Ca 0.54 -0.18 -0.22 0.00 0.71 0.00 0.00 56.30 57.15 3ma4 h ASN 78 Cb 0.90 -0.11 0.02 0.00 0.73 0.00 0.00 38.32 39.87 3ma4 h ASN 78 CO -0.44 0.80 -0.88 0.11 -1.29 0.00 0.00 177.43 175.73 3ma4 h LYS 79 N 0.28 0.54 -0.46 6.67 1.57 -1.61 -1.43 116.57 122.14 3ma4 h LYS 79 Ca 0.02 -0.62 0.07 0.00 -1.87 0.00 0.00 60.65 58.25 3ma4 h LYS 79 Cb 0.94 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 33.37 3ma4 h LYS 79 CO 0.08 1.24 0.12 0.82 -0.57 0.00 0.00 179.45 181.14 3ma4 h ILE 80 N 0.11 0.78 0.13 1.86 2.04 -1.02 0.49 117.51 121.91 3ma4 h ILE 80 Ca -0.12 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3ma4 h ILE 80 Cb 1.57 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3ma4 h ILE 80 CO 0.17 0.05 -0.06 -0.08 0.00 0.00 0.00 178.15 178.23 3ma4 h GLU 81 N 0.27 -0.17 -0.62 2.37 4.81 -0.98 -0.96 114.58 119.29 3ma4 h GLU 81 Ca 0.23 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.59 3ma4 h GLU 81 Cb 0.27 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 29.57 3ma4 h GLU 81 CO -0.27 -0.03 -0.21 1.49 -0.73 0.00 0.00 179.01 179.25 3ma4 h GLU 82 N -0.27 -0.05 -0.22 1.92 4.22 -1.01 0.71 114.58 119.87 3ma4 h GLU 82 Ca -0.02 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.44 3ma4 h GLU 82 Cb 0.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3ma4 h GLU 82 CO 0.03 -0.04 0.09 0.35 -2.18 0.00 0.00 179.01 177.27 3ma4 h PHE 83 N -0.05 0.17 -0.58 0.92 3.57 0.26 -2.55 116.94 118.67 3ma4 h PHE 83 Ca 0.29 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.69 3ma4 h PHE 83 Cb 0.50 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3ma4 h PHE 83 CO -0.55 0.09 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.51 3ma4 h LEU 84 N 0.20 1.03 -1.42 0.59 3.38 -0.23 -1.54 115.31 117.31 3ma4 h LEU 84 Ca 0.09 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3ma4 h LEU 84 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3ma4 h LEU 84 CO -0.08 1.10 -0.02 -0.08 0.09 0.00 0.00 178.44 179.44 3ma4 h GLU 85 N 0.94 0.34 0.00 1.13 4.57 -0.83 -1.40 114.58 119.33 3ma4 h GLU 85 Ca 0.16 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.19 3ma4 h GLU 85 Cb 0.60 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3ma4 h GLU 85 CO 0.04 0.39 -0.69 0.00 -1.18 0.00 0.00 179.01 177.58 3ma4 h ALA 86 N 1.65 0.71 0.00 2.92 0.00 -1.01 -3.38 119.26 120.14 3ma4 h ALA 86 Ca 0.08 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3ma4 h ALA 86 Cb 0.27 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3ma4 h ALA 86 CO 0.01 0.47 -1.82 1.33 0.00 0.00 0.00 179.25 179.24 3ma4 n VAL 87 N -3.04 0.74 -3.54 0.00 0.24 -0.62 -4.77 118.33 107.34 3ma4 n VAL 87 Ca -0.01 -0.65 -0.41 0.00 -2.04 0.00 0.00 64.34 61.24 3ma4 n VAL 87 Cb 0.69 -0.36 -0.08 0.00 -1.47 0.00 0.00 33.84 32.62 3ma4 n VAL 87 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ma4 s LEU 88 N -5.20 5.69 0.21 1.34 1.43 -0.54 -5.04 118.68 116.56 3ma4 s LEU 88 Ca -0.06 -1.87 0.09 0.00 -1.03 0.00 0.00 54.13 51.26 3ma4 s LEU 88 Cb 0.10 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 3ma4 s LEU 88 CO 0.85 -0.69 -0.17 0.00 0.23 0.00 0.00 176.35 176.56 3ma4 s PRO 90 N -3.29 1.90 0.49 0.00 0.02 0.05 -0.05 135.00 134.11 3ma4 s PRO 90 Ca 0.22 1.40 0.28 0.00 0.02 0.00 0.00 61.00 62.92 3ma4 s PRO 90 Cb -0.04 -1.84 0.94 0.00 0.02 0.00 0.00 34.50 33.58 3ma4 s PRO 90 CO 0.09 -1.95 1.83 -1.00 -0.33 0.00 0.00 177.00 175.63 3ma4 h PRO 91 N -1.13 0.00 -0.76 5.54 0.13 -2.03 -3.44 132.00 130.31 3ma4 h PRO 91 Ca -0.44 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.75 3ma4 h PRO 91 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 3ma4 h PRO 91 CO 0.48 0.04 0.45 -0.09 -0.23 0.00 0.00 178.00 178.66 3ma4 h ARG 92 N 0.00 0.80 -4.43 0.86 9.65 -1.88 -3.44 114.38 115.94 3ma4 h ARG 92 Ca -0.00 -0.05 -0.21 0.00 -1.10 0.00 0.00 59.98 58.62 3ma4 h ARG 92 Cb 0.73 -0.18 -0.18 0.00 -1.39 0.00 0.00 29.97 28.94 3ma4 h ARG 92 CO 0.01 0.53 -0.71 0.71 2.80 0.00 0.00 179.97 183.31 3ma4 s TYR 93 N -6.08 0.63 0.11 2.20 2.02 0.92 -4.96 117.35 112.19 3ma4 s TYR 93 Ca -0.13 -0.71 -0.22 0.00 -0.37 0.00 0.00 57.07 55.64 3ma4 s TYR 93 Cb 0.17 -0.39 -0.07 0.00 -0.40 0.00 0.00 41.96 41.27 3ma4 s TYR 93 CO 0.77 -0.17 0.66 -1.25 -1.57 0.00 0.00 175.55 174.00 3ma4 s PRO 94 N -2.57 4.37 0.27 -1.71 0.04 -1.26 -0.77 135.00 133.36 3ma4 s PRO 94 Ca -0.02 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 3ma4 s PRO 94 Cb -0.03 -3.26 -0.10 0.00 0.04 0.00 0.00 34.50 31.16 3ma4 s PRO 94 CO -0.03 0.59 1.36 0.15 0.04 0.00 0.00 177.00 179.11 3ma4 s LYS 95 N -1.06 4.33 -0.14 4.56 -0.14 -1.26 -4.82 119.74 121.20 3ma4 s LYS 95 Ca 0.32 2.20 0.15 0.00 -1.36 0.00 0.00 55.97 57.28 3ma4 s LYS 95 Cb -0.21 -3.12 0.34 0.00 -1.68 0.00 0.00 37.83 33.16 3ma4 s LYS 95 CO 0.22 -0.29 1.17 1.28 -0.76 0.00 0.00 175.35 176.97 3ma4 n LEU 96 N 1.86 2.18 -4.89 3.17 4.77 -1.26 -5.04 117.00 117.79 3ma4 n LEU 96 Ca 0.04 -3.18 -0.32 0.00 -0.03 0.00 0.00 56.01 52.52 3ma4 n LEU 96 Cb 0.41 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 3ma4 n LEU 96 CO 0.59 0.98 0.09 0.00 -1.33 0.00 0.00 177.39 177.72 3ma4 s ALA 97 N -2.50 3.71 0.61 -1.18 0.00 -1.26 0.72 121.76 121.87 3ma4 s ALA 97 Ca 0.32 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 51.66 3ma4 s ALA 97 Cb 0.31 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 3ma4 s ALA 97 CO -0.04 0.61 1.24 0.00 0.00 0.00 0.00 175.76 177.56 3ma4 s ALA 98 N -1.66 2.48 -0.02 0.00 0.00 -1.26 -4.89 121.76 116.42 3ma4 s ALA 98 Ca 0.41 1.08 -0.00 0.00 0.00 0.00 0.00 51.96 53.46 3ma4 s ALA 98 Cb -0.12 -3.49 -0.26 0.00 0.00 0.00 0.00 23.12 19.25 3ma4 s ALA 98 CO 0.22 -1.33 0.76 -0.07 0.00 0.00 0.00 175.76 175.35 3ma4 h LEU 99 N 0.75 0.30 -8.79 0.00 3.38 -1.97 -3.46 115.31 105.52 3ma4 h LEU 99 Ca -0.51 -0.47 -0.65 0.00 0.09 0.00 0.00 57.88 56.34 3ma4 h LEU 99 Cb 1.31 -0.10 -0.19 0.00 0.09 0.00 0.00 40.66 41.77 3ma4 h LEU 99 CO 0.54 1.40 -0.55 0.20 0.09 0.00 0.00 178.44 180.13 3ma4 s ASN 100 N -6.80 5.74 0.30 -0.43 -0.87 -1.26 -5.01 114.94 106.61 3ma4 s ASN 100 Ca -0.10 -0.12 0.01 0.00 -1.57 0.00 0.00 52.86 51.08 3ma4 s ASN 100 Cb 0.07 -2.06 0.53 0.00 -0.02 0.00 0.00 41.25 39.77 3ma4 s ASN 100 CO 0.83 -0.07 1.90 -0.65 -2.57 0.00 0.00 177.10 176.54 3ma4 h PRO 101 N 8.34 1.00 0.00 -0.60 0.11 -2.03 -2.59 132.00 136.23 3ma4 h PRO 101 Ca -0.36 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ma4 h PRO 101 Cb 1.18 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3ma4 h PRO 101 CO 0.57 0.66 0.00 1.49 -0.21 0.00 0.00 178.00 180.51 3ma4 h GLU 102 N 1.03 0.00 0.00 1.05 4.81 -2.00 -1.39 114.58 118.08 3ma4 h GLU 102 Ca 0.41 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.60 3ma4 h GLU 102 Cb 0.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3ma4 h GLU 102 CO -0.17 0.00 -0.18 0.77 -0.73 0.00 0.00 179.01 178.70 3ma4 h SER 103 N 0.00 0.00 0.47 1.04 0.02 -1.80 0.78 113.55 114.07 3ma4 h SER 103 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ma4 h SER 103 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3ma4 h SER 103 CO 0.00 0.18 -0.32 0.59 -1.14 0.00 0.00 176.83 176.14 3ma4 n ASN 104 N -3.82 0.57 -0.02 3.07 3.02 -0.52 -3.74 115.26 113.82 3ma4 n ASN 104 Ca -0.02 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 3ma4 n ASN 104 Cb 0.28 0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.48 3ma4 n ASN 104 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3ma4 n THR 105 N -1.21 0.24 -1.71 3.41 -2.24 -0.84 -4.97 114.28 106.96 3ma4 n THR 105 Ca 0.09 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3ma4 n THR 105 Cb 0.33 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.30 3ma4 n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ma4 n ALA 106 N -2.01 1.62 -0.93 6.98 0.00 0.21 -2.32 120.51 124.07 3ma4 n ALA 106 Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3ma4 n ALA 106 Cb 0.46 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3ma4 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ma4 n GLY 107 N 1.08 0.77 0.24 0.00 0.00 -1.26 -4.85 105.19 101.17 3ma4 n GLY 107 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3ma4 n GLY 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ma4 h LEU 108 N 0.00 0.00 0.00 0.99 3.38 -1.84 -1.72 115.31 116.12 3ma4 h LEU 108 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ma4 h LEU 108 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3ma4 h LEU 108 CO 0.00 0.05 0.00 -0.90 0.09 0.00 0.00 178.44 177.68 3ma4 n ASP 109 N -3.13 0.00 -0.02 -0.43 5.75 -1.26 -4.18 116.55 113.28 3ma4 n ASP 109 Ca 0.02 0.26 -0.17 0.00 -0.01 0.00 0.00 54.79 54.89 3ma4 n ASP 109 Cb 0.44 -0.39 -0.07 0.00 -1.03 0.00 0.00 41.12 40.07 3ma4 n ASP 109 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3ma4 h ILE 110 N 0.00 1.28 -0.12 2.12 2.04 -1.65 -3.03 117.51 118.15 3ma4 h ILE 110 Ca 0.00 -1.96 -0.05 0.00 1.00 0.00 0.00 64.86 63.85 3ma4 h ILE 110 Cb 0.23 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 3ma4 h ILE 110 CO 0.00 0.62 -0.16 0.15 0.00 0.00 0.00 178.15 178.77 3ma4 h PHE 111 N 0.51 0.19 0.05 1.37 3.57 -1.77 -1.30 116.94 119.56 3ma4 h PHE 111 Ca -0.05 -0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.17 3ma4 h PHE 111 Cb 1.40 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 40.09 3ma4 h PHE 111 CO 0.09 0.34 -1.07 0.00 -2.23 0.00 0.00 178.31 175.44 3ma4 h ALA 112 N 1.67 0.22 -0.25 2.41 0.00 -1.80 -0.68 119.26 120.83 3ma4 h ALA 112 Ca 0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 3ma4 h ALA 112 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ma4 h ALA 112 CO 0.02 0.82 -0.03 0.87 0.00 0.00 0.00 179.25 180.93 3ma4 h LYS 113 N 0.22 0.38 -0.26 0.00 1.79 -1.27 -1.58 116.57 115.85 3ma4 h LYS 113 Ca -0.12 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.10 3ma4 h LYS 113 Cb 1.73 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.33 3ma4 h LYS 113 CO 0.19 0.43 -0.54 0.35 -1.08 0.00 0.00 179.45 178.80 3ma4 h PHE 114 N 0.37 1.05 -0.30 -1.35 3.57 -1.22 -1.23 116.94 117.83 3ma4 h PHE 114 Ca 0.08 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.20 3ma4 h PHE 114 Cb 0.29 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3ma4 h PHE 114 CO 0.01 1.20 0.20 0.77 -2.23 0.00 0.00 178.31 178.26 3ma4 h SER 115 N 0.59 0.35 -0.24 0.41 0.02 -0.59 0.20 113.55 114.29 3ma4 h SER 115 Ca 0.01 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3ma4 h SER 115 Cb 1.15 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3ma4 h SER 115 CO 0.12 0.26 0.04 0.00 -1.14 0.00 0.00 176.83 176.11 3ma4 h ALA 116 N 1.10 0.32 -0.80 3.77 0.00 -1.22 -1.12 119.26 121.30 3ma4 h ALA 116 Ca 0.11 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.02 3ma4 h ALA 116 Cb -0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.55 3ma4 h ALA 116 CO -0.02 -0.00 0.28 -0.92 0.00 0.00 0.00 179.25 178.58 3ma4 h TYR 117 N 0.20 0.46 0.17 0.00 3.20 -0.78 -1.59 116.97 118.63 3ma4 h TYR 117 Ca 0.07 0.04 -0.31 0.00 3.14 0.00 0.00 58.73 61.68 3ma4 h TYR 117 Cb 0.32 -0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.53 3ma4 h TYR 117 CO 0.02 -0.04 -1.41 0.97 -1.64 0.00 0.00 178.16 176.06 3ma4 h ILE 118 N 0.36 1.32 0.00 1.81 6.09 -0.10 -3.33 117.51 123.67 3ma4 h ILE 118 Ca 0.47 -2.87 -0.17 0.00 -1.37 0.00 0.00 64.86 60.92 3ma4 h ILE 118 Cb 0.82 2.92 -0.02 0.00 0.47 0.00 0.00 36.82 41.00 3ma4 h ILE 118 CO -0.50 0.85 -0.83 0.11 -3.07 0.00 0.00 178.15 174.71 3ma4 h LYS 119 N 0.10 0.00 -6.18 2.19 1.57 -1.27 -3.38 116.57 109.59 3ma4 h LYS 119 Ca -0.21 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.91 3ma4 h LYS 119 Cb 2.05 0.00 0.10 0.00 0.08 0.00 0.00 32.23 34.45 3ma4 h LYS 119 CO 0.21 0.83 -0.12 -1.71 -0.57 0.00 0.00 179.45 178.10 3ma4 n ASN 120 N -3.34 0.08 -0.00 0.86 5.15 -0.60 -4.71 115.26 112.69 3ma4 n ASN 120 Ca 0.00 1.15 0.01 0.00 -0.60 0.00 0.00 54.58 55.15 3ma4 n ASN 120 Cb 0.86 -1.08 -0.02 0.00 -0.53 0.00 0.00 39.78 39.01 3ma4 n ASN 120 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3ma4 n SER 121 N 1.76 2.86 -4.58 1.20 3.41 -1.22 -2.84 113.62 114.20 3ma4 n SER 121 Ca 0.16 -0.20 -0.42 0.00 -0.26 0.00 0.00 58.87 58.15 3ma4 n SER 121 Cb 0.24 1.09 -0.03 0.00 -0.26 0.00 0.00 64.21 65.25 3ma4 n SER 121 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3ma4 s ASN 122 N -1.96 6.00 0.51 4.04 3.84 -1.21 -3.96 114.94 122.20 3ma4 s ASN 122 Ca -0.00 0.66 0.23 0.00 0.21 0.00 0.00 52.86 53.95 3ma4 s ASN 122 Cb 0.02 -2.54 1.32 0.00 -0.55 0.00 0.00 41.25 39.50 3ma4 s ASN 122 CO 0.12 -1.74 1.99 -0.65 -2.79 0.00 0.00 177.10 174.03 3ma4 h PRO 123 N 11.95 0.08 0.00 0.43 0.11 -1.93 -1.22 132.00 141.42 3ma4 h PRO 123 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3ma4 h PRO 123 Cb 1.12 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ma4 h PRO 123 CO 1.13 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.97 3ma4 h ALA 124 N 1.73 1.00 -0.01 -0.75 0.00 -1.96 -2.85 119.26 116.42 3ma4 h ALA 124 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ma4 h ALA 124 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3ma4 h ALA 124 CO -0.02 0.00 -0.69 1.28 0.00 0.00 0.00 179.25 179.81 3ma4 n LEU 125 N -2.50 1.30 -0.09 0.00 4.32 -0.47 -4.63 117.00 114.93 3ma4 n LEU 125 Ca 0.01 -0.61 -0.06 0.00 -0.02 0.00 0.00 56.01 55.33 3ma4 n LEU 125 Cb 0.21 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.01 3ma4 n LEU 125 CO 0.20 0.28 0.79 -1.13 -1.22 0.00 0.00 177.39 176.31 3ma4 h ASN 126 N 0.91 -0.34 -0.43 -1.43 -1.24 -1.42 -1.04 115.58 110.59 3ma4 h ASN 126 Ca 0.00 0.10 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 3ma4 h ASN 126 Cb 0.54 0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.79 3ma4 h ASN 126 CO 0.00 -0.12 0.08 0.44 -1.29 0.00 0.00 177.43 176.54 3ma4 h ASP 127 N -0.02 0.67 -0.50 1.15 3.32 -1.82 -0.60 116.42 118.63 3ma4 h ASP 127 Ca 0.16 -0.25 0.06 0.00 0.02 0.00 0.00 57.03 57.01 3ma4 h ASP 127 Cb 0.26 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 3ma4 h ASP 127 CO -0.34 0.76 0.21 -1.13 -1.72 0.00 0.00 179.24 177.01 3ma4 h ASN 128 N 0.57 0.25 0.39 6.45 -0.73 -1.78 0.19 115.58 120.91 3ma4 h ASN 128 Ca 0.13 0.05 -0.14 0.00 1.87 0.00 0.00 56.30 58.21 3ma4 h ASN 128 Cb 0.36 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 3ma4 h ASN 128 CO 0.01 0.17 -0.60 -0.07 -0.37 0.00 0.00 177.43 176.57 3ma4 h LEU 129 N 0.40 0.24 0.23 0.34 3.38 -1.09 -1.51 115.31 117.30 3ma4 h LEU 129 Ca 0.24 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3ma4 h LEU 129 Cb 0.22 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3ma4 h LEU 129 CO -0.22 0.79 -0.13 -0.08 0.09 0.00 0.00 178.44 178.89 3ma4 h GLU 130 N 0.16 -0.33 -0.69 1.13 4.81 -0.95 -1.70 114.58 117.01 3ma4 h GLU 130 Ca -0.01 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.40 3ma4 h GLU 130 Cb 1.10 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 30.44 3ma4 h GLU 130 CO 0.09 -0.22 0.05 -0.22 -0.73 0.00 0.00 179.01 177.98 3ma4 h LYS 131 N -0.34 0.15 -0.66 1.92 3.64 -0.67 0.54 116.57 121.14 3ma4 h LYS 131 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3ma4 h LYS 131 Cb 0.28 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3ma4 h LYS 131 CO 0.03 0.10 0.37 0.78 -2.27 0.00 0.00 179.45 178.46 3ma4 h GLY 132 N 0.15 0.99 0.54 5.01 0.00 -1.11 0.64 103.07 109.28 3ma4 h GLY 132 Ca 0.38 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3ma4 h GLY 132 CO -0.57 0.43 -0.09 -2.00 0.00 0.00 0.00 176.54 174.31 3ma4 h LEU 133 N 0.91 -0.21 -0.78 3.11 5.85 -0.33 -2.76 115.31 121.10 3ma4 h LEU 133 Ca 0.23 -0.30 0.13 0.00 0.84 0.00 0.00 57.88 58.79 3ma4 h LEU 133 Cb 0.03 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 40.98 3ma4 h LEU 133 CO -0.04 0.24 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.90 3ma4 h LEU 134 N -0.71 -1.18 -0.75 2.25 3.38 0.20 -0.88 115.31 117.61 3ma4 h LEU 134 Ca -0.03 0.26 0.13 0.00 0.09 0.00 0.00 57.88 58.34 3ma4 h LEU 134 Cb 0.50 0.63 -0.09 0.00 0.09 0.00 0.00 40.66 41.79 3ma4 h LEU 134 CO 0.04 -0.29 0.32 0.50 0.09 0.00 0.00 178.44 179.10 3ma4 h LYS 135 N -0.07 0.47 0.00 1.13 1.63 -0.89 0.37 116.57 119.21 3ma4 h LYS 135 Ca 0.31 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.92 3ma4 h LYS 135 Cb 0.58 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 3ma4 h LYS 135 CO -0.83 0.31 -0.76 0.00 -3.45 0.00 0.00 179.45 174.72 3ma4 h ALA 136 N 1.52 0.65 -0.13 5.00 0.00 -1.05 -1.05 119.26 124.21 3ma4 h ALA 136 Ca 0.41 -0.69 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 3ma4 h ALA 136 Cb 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ma4 h ALA 136 CO -0.37 0.95 -0.75 -0.07 0.00 0.00 0.00 179.25 179.01 3ma4 h LEU 137 N 0.00 0.74 -0.59 0.00 3.38 -0.31 -1.60 115.31 116.93 3ma4 h LEU 137 Ca -0.01 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.50 3ma4 h LEU 137 Cb 1.43 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3ma4 h LEU 137 CO 0.10 1.25 0.37 0.50 0.09 0.00 0.00 178.44 180.75 3ma4 h LYS 138 N 0.43 0.72 -0.67 1.13 1.63 0.04 -1.87 116.57 117.97 3ma4 h LYS 138 Ca -0.04 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 3ma4 h LYS 138 Cb 1.35 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.79 3ma4 h LYS 138 CO 0.14 0.48 0.41 0.28 -3.45 0.00 0.00 179.45 177.31 3ma4 h VAL 139 N 0.74 1.19 -0.52 2.00 2.07 -0.83 -1.38 116.25 119.52 3ma4 h VAL 139 Ca 0.23 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.41 3ma4 h VAL 139 Cb -0.02 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 3ma4 h VAL 139 CO -0.08 0.20 0.16 0.25 0.02 0.00 0.00 177.57 178.12 3ma4 h LEU 140 N 0.91 0.14 -0.22 2.57 5.85 -1.15 -2.61 115.31 120.79 3ma4 h LEU 140 Ca 0.24 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.09 3ma4 h LEU 140 Cb -0.04 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3ma4 h LEU 140 CO -0.05 0.10 -0.21 -0.78 -0.34 0.00 0.00 178.44 177.17 3ma4 h ASP 141 N 0.33 -0.66 -0.71 1.25 3.58 -0.94 0.32 116.42 119.59 3ma4 h ASP 141 Ca 0.25 0.12 0.15 0.00 0.42 0.00 0.00 57.03 57.98 3ma4 h ASP 141 Cb 0.30 0.32 -0.11 0.00 1.72 0.00 0.00 39.33 41.56 3ma4 h ASP 141 CO -0.28 -0.25 0.14 0.78 -2.88 0.00 0.00 179.24 176.75 3ma4 h ASN 142 N -0.22 -0.05 -0.53 2.28 2.35 -1.21 0.48 115.58 118.68 3ma4 h ASN 142 Ca 0.13 0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.95 3ma4 h ASN 142 Cb 0.41 0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 3ma4 h ASN 142 CO -0.35 -0.05 0.02 0.22 -1.65 0.00 0.00 177.43 175.62 3ma4 h TYR 143 N 0.24 1.00 0.00 1.19 3.20 -0.88 -2.50 116.97 119.22 3ma4 h TYR 143 Ca 0.40 -0.16 -0.12 0.00 3.14 0.00 0.00 58.73 61.98 3ma4 h TYR 143 Cb 0.67 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 3ma4 h TYR 143 CO -0.28 0.91 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.50 3ma4 h LEU 144 N 0.80 0.00 -0.90 2.82 3.38 -0.32 -2.66 115.31 118.42 3ma4 h LEU 144 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3ma4 h LEU 144 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ma4 h LEU 144 CO 0.02 0.58 0.00 0.35 0.09 0.00 0.00 178.44 179.48 3ma4 n THR 145 N -3.67 0.16 -3.70 0.22 -2.24 0.10 -4.74 114.28 100.40 3ma4 n THR 145 Ca -0.01 -0.28 -0.36 0.00 -2.27 0.00 0.00 64.05 61.13 3ma4 n THR 145 Cb 0.62 0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 69.01 3ma4 n THR 145 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ma4 s SER 146 N -1.60 6.03 0.33 3.42 0.01 -0.96 -5.02 113.70 115.91 3ma4 s SER 146 Ca 0.32 0.10 -0.29 0.00 1.31 0.00 0.00 55.95 57.40 3ma4 s SER 146 Cb 0.17 -2.08 -0.10 0.00 0.21 0.00 0.00 66.02 64.21 3ma4 s SER 146 CO 0.26 0.08 1.36 -2.84 0.41 0.00 0.00 173.24 172.51 3ma4 s PRO 147 N 0.96 4.29 0.69 12.44 0.02 -1.26 -4.98 135.00 147.16 3ma4 s PRO 147 Ca 0.07 2.30 -0.05 0.00 0.02 0.00 0.00 61.00 63.34 3ma4 s PRO 147 Cb -0.13 -3.05 0.07 0.00 0.02 0.00 0.00 34.50 31.40 3ma4 s PRO 147 CO 0.03 -0.29 0.97 -0.51 -0.33 0.00 0.00 177.00 176.88 3ma4 s LEU 148 N -1.67 2.93 0.53 -5.54 1.43 -1.26 -4.99 118.68 110.11 3ma4 s LEU 148 Ca 0.51 0.24 0.24 0.00 -1.03 0.00 0.00 54.13 54.10 3ma4 s LEU 148 Cb -0.41 -2.88 1.48 0.00 0.03 0.00 0.00 46.19 44.41 3ma4 s LEU 148 CO 0.54 -1.59 2.13 -0.65 0.23 0.00 0.00 176.35 177.01 3ma4 h PRO 149 N -0.50 0.00 -0.53 1.29 0.11 -1.98 -1.91 132.00 128.49 3ma4 h PRO 149 Ca -0.43 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.76 3ma4 h PRO 149 Cb 1.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 3ma4 h PRO 149 CO 0.55 0.07 0.36 1.49 -0.21 0.00 0.00 178.00 180.26 3ma4 h GLU 150 N 0.00 0.38 -0.83 1.05 4.22 -1.97 -2.06 114.58 115.36 3ma4 h GLU 150 Ca -0.00 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.29 3ma4 h GLU 150 Cb 0.17 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 3ma4 h GLU 150 CO 0.01 0.25 0.16 0.39 -2.18 0.00 0.00 179.01 177.64 3ma4 n GLU 151 N -4.47 2.88 -1.69 1.92 1.02 -0.72 -4.98 120.64 114.60 3ma4 n GLU 151 Ca 0.08 -1.99 -0.44 0.00 -0.02 0.00 0.00 57.16 54.79 3ma4 n GLU 151 Cb 0.31 -1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 29.79 3ma4 n GLU 151 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3ma4 n VAL 152 N 0.04 0.19 -2.89 2.62 3.14 -0.78 -4.90 118.33 115.76 3ma4 n VAL 152 Ca 0.26 -0.03 -0.20 0.00 -2.96 0.00 0.00 64.34 61.40 3ma4 n VAL 152 Cb 1.01 -1.93 0.01 0.00 -1.06 0.00 0.00 33.84 31.87 3ma4 n VAL 152 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3ma4 n ASP 153 N 4.71 -5.04 -3.60 6.55 -0.08 -1.26 -5.16 116.55 112.67 3ma4 n ASP 153 Ca 0.18 -0.17 -0.03 0.00 -1.51 0.00 0.00 54.79 53.26 3ma4 n ASP 153 Cb 0.34 -4.14 -0.02 0.00 2.34 0.00 0.00 41.12 39.64 3ma4 n ASP 153 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ma4 s ARG 165 N -5.54 0.33 0.05 -0.67 1.70 -1.26 -5.19 118.95 108.38 3ma4 s ARG 165 Ca 0.22 -0.15 -0.15 0.00 -0.47 0.00 0.00 55.73 55.18 3ma4 s ARG 165 Cb -0.10 0.14 -0.29 0.00 -0.57 0.00 0.00 34.95 34.12 3ma4 s ARG 165 CO 0.27 -0.15 1.10 0.87 -1.08 0.00 0.00 175.30 176.31 3ma4 h LYS 166 N 2.00 0.62 -4.98 3.89 1.57 -1.89 -3.46 116.57 114.31 3ma4 h LYS 166 Ca -0.15 -0.84 -0.54 0.00 -1.87 0.00 0.00 60.65 57.25 3ma4 h LYS 166 Cb 1.18 0.28 -0.13 0.00 0.08 0.00 0.00 32.23 33.64 3ma4 h LYS 166 CO 0.24 1.39 -0.49 -0.06 -0.57 0.00 0.00 179.45 179.96 3ma4 s PHE 167 N -2.95 1.78 0.23 -1.35 0.08 -0.65 -4.31 117.98 110.82 3ma4 s PHE 167 Ca -0.09 -1.49 -0.06 0.00 0.12 0.00 0.00 56.93 55.41 3ma4 s PHE 167 Cb 0.05 -0.97 0.35 0.00 -0.57 0.00 0.00 43.02 41.89 3ma4 s PHE 167 CO 0.93 -0.58 1.80 -0.07 -0.10 0.00 0.00 175.22 177.21 3ma4 h LEU 168 N 1.89 0.57 -1.69 -0.37 3.38 -1.95 -2.93 115.31 114.21 3ma4 h LEU 168 Ca -0.30 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3ma4 h LEU 168 Cb 1.26 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3ma4 h LEU 168 CO 0.46 0.33 0.00 -0.67 0.09 0.00 0.00 178.44 178.66 3ma4 n ASP 169 N -4.80 2.24 0.00 -0.43 2.03 -1.26 -4.87 116.55 109.46 3ma4 n ASP 169 Ca 0.12 -1.61 0.00 0.00 0.52 0.00 0.00 54.79 53.81 3ma4 n ASP 169 Cb 0.26 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 3ma4 n ASP 169 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ma4 n GLY 170 N 0.75 0.70 0.20 0.27 0.00 -1.11 -4.86 105.19 101.15 3ma4 n GLY 170 Ca 0.09 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.61 3ma4 n GLY 170 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ma4 n ASN 171 N 0.00 0.89 -4.66 1.61 3.02 -1.26 -1.63 115.26 113.23 3ma4 n ASN 171 Ca 0.00 -0.77 -0.28 0.00 -0.03 0.00 0.00 54.58 53.50 3ma4 n ASN 171 Cb 0.00 0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.21 3ma4 n ASN 171 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ma4 s GLU 172 N -2.56 2.42 0.11 3.52 0.41 -1.26 -4.83 118.70 116.51 3ma4 s GLU 172 Ca 0.23 -1.04 -0.29 0.00 -0.41 0.00 0.00 54.97 53.47 3ma4 s GLU 172 Cb 0.19 -2.40 -0.06 0.00 -1.78 0.00 0.00 34.13 30.08 3ma4 s GLU 172 CO 0.53 0.48 0.91 -0.51 -0.49 0.00 0.00 175.26 176.18 3ma4 s LEU 173 N -2.75 4.50 0.49 1.80 1.43 -1.26 -4.72 118.68 118.17 3ma4 s LEU 173 Ca 0.27 1.72 0.03 0.00 -1.03 0.00 0.00 54.13 55.12 3ma4 s LEU 173 Cb -0.10 -3.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 3ma4 s LEU 173 CO 0.18 -0.03 0.06 0.42 0.23 0.00 0.00 176.35 177.22 3ma4 s THR 174 N -0.12 1.48 0.50 5.49 -4.23 -1.26 -4.99 115.64 112.51 3ma4 s THR 174 Ca 0.44 -1.92 0.15 0.00 -1.18 0.00 0.00 61.69 59.19 3ma4 s THR 174 Cb -0.23 -2.40 0.26 0.00 1.34 0.00 0.00 72.50 71.48 3ma4 s THR 174 CO 0.28 0.00 2.13 -0.07 -0.54 0.00 0.00 174.62 176.43 3ma4 h LEU 175 N 1.37 0.05 -0.68 4.79 3.38 -0.05 -0.61 115.31 123.56 3ma4 h LEU 175 Ca -0.43 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 3ma4 h LEU 175 Cb 1.29 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 3ma4 h LEU 175 CO 0.73 0.05 0.37 0.00 0.09 0.00 0.00 178.44 179.67 3ma4 h ALA 176 N 1.96 0.87 -0.08 1.53 0.00 -1.89 -1.42 119.26 120.24 3ma4 h ALA 176 Ca 0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3ma4 h ALA 176 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3ma4 h ALA 176 CO -0.00 0.40 -0.41 -0.44 0.00 0.00 0.00 179.25 178.80 3ma4 h ASP 177 N 0.94 0.18 -0.10 0.00 3.32 -1.46 -1.37 116.42 117.93 3ma4 h ASP 177 Ca 0.24 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3ma4 h ASP 177 Cb 0.05 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3ma4 h ASP 177 CO -0.04 0.58 -0.12 0.00 -1.72 0.00 0.00 179.24 177.94 3ma4 h ASN 179 N 0.40 -0.00 -0.31 0.00 -1.24 -1.21 -3.37 115.58 109.85 3ma4 h ASN 179 Ca 0.08 -0.89 -0.18 0.00 0.71 0.00 0.00 56.30 56.02 3ma4 h ASN 179 Cb 0.45 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.50 3ma4 h ASN 179 CO 0.03 0.91 -0.50 0.25 -1.29 0.00 0.00 177.43 176.83 3ma4 h LEU 180 N -0.94 0.98 -0.70 0.34 5.85 -1.00 -3.33 115.31 116.50 3ma4 h LEU 180 Ca -0.00 -0.50 -0.14 0.00 0.84 0.00 0.00 57.88 58.08 3ma4 h LEU 180 Cb 0.89 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3ma4 h LEU 180 CO 0.00 1.30 -0.62 -0.07 -0.34 0.00 0.00 178.44 178.71 3ma4 h LEU 181 N 0.70 0.12 -0.02 2.25 3.38 -1.24 -0.50 115.31 120.00 3ma4 h LEU 181 Ca 0.03 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ma4 h LEU 181 Cb 1.10 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3ma4 h LEU 181 CO 0.11 0.71 0.01 -0.65 0.09 0.00 0.00 178.44 178.71 3ma4 h PRO 182 N 0.07 0.03 -0.12 1.13 0.11 -1.75 -0.29 132.00 131.17 3ma4 h PRO 182 Ca -0.01 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.14 3ma4 h PRO 182 Cb 1.11 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 3ma4 h PRO 182 CO 0.09 0.17 -0.27 0.87 -0.21 0.00 0.00 178.00 178.64 3ma4 h LYS 183 N -0.12 -0.34 -0.24 1.05 1.57 -1.61 -1.42 116.57 115.47 3ma4 h LYS 183 Ca 0.01 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 3ma4 h LYS 183 Cb 0.15 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3ma4 h LYS 183 CO -0.00 -0.22 0.17 -0.07 -0.57 0.00 0.00 179.45 178.75 3ma4 h LEU 184 N -0.35 0.07 -0.17 2.94 3.38 -0.94 -0.14 115.31 120.10 3ma4 h LEU 184 Ca 0.10 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 3ma4 h LEU 184 Cb 0.50 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3ma4 h LEU 184 CO -0.32 0.05 -0.65 -0.74 0.09 0.00 0.00 178.44 176.87 3ma4 h HIS 185 N 0.08 0.98 -0.28 1.13 2.76 -0.67 -1.41 115.15 117.74 3ma4 h HIS 185 Ca 0.11 -0.41 0.05 0.00 -2.20 0.00 0.00 60.37 57.91 3ma4 h HIS 185 Cb 0.34 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.10 3ma4 h HIS 185 CO -0.00 1.23 0.01 0.82 -1.30 0.00 0.00 177.93 178.69 3ma4 h ILE 186 N 0.45 0.81 -0.13 6.26 2.04 -0.29 -2.60 117.51 124.06 3ma4 h ILE 186 Ca -0.03 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3ma4 h ILE 186 Cb 1.28 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 3ma4 h ILE 186 CO 0.14 0.02 -0.06 0.58 0.00 0.00 0.00 178.15 178.83 3ma4 h VAL 187 N 0.10 0.81 0.22 1.67 2.07 -0.83 -0.74 116.25 119.54 3ma4 h VAL 187 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3ma4 h VAL 187 Cb 0.17 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3ma4 h VAL 187 CO -0.21 0.00 -0.40 1.56 0.02 0.00 0.00 177.57 178.54 3ma4 h GLN 188 N -0.05 -0.67 -0.04 1.57 4.20 -1.10 0.19 115.11 119.22 3ma4 h GLN 188 Ca 0.07 0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3ma4 h GLN 188 Cb 0.15 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 3ma4 h GLN 188 CO -0.16 -0.45 -0.00 0.28 -0.67 0.00 0.00 178.83 177.83 3ma4 h VAL 189 N -0.69 1.27 -0.60 -0.54 2.07 -1.41 -1.14 116.25 115.21 3ma4 h VAL 189 Ca 0.00 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 3ma4 h VAL 189 Cb 0.68 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 3ma4 h VAL 189 CO -0.17 0.22 0.17 0.58 0.02 0.00 0.00 177.57 178.39 3ma4 h VAL 190 N -0.26 1.23 -0.10 2.57 2.07 -1.15 -2.74 116.25 117.87 3ma4 h VAL 190 Ca 0.01 -0.81 -0.18 0.00 0.82 0.00 0.00 66.70 66.53 3ma4 h VAL 190 Cb 0.36 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3ma4 h VAL 190 CO 0.00 0.31 -0.70 0.00 0.02 0.00 0.00 177.57 177.20 3ma4 h LYS 192 N 0.33 0.44 -0.18 0.00 1.57 -1.04 0.22 116.57 117.91 3ma4 h LYS 192 Ca -0.03 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.53 3ma4 h LYS 192 Cb 1.28 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.49 3ma4 h LYS 192 CO 0.13 0.29 -0.65 -0.22 -0.57 0.00 0.00 179.45 178.43 3ma4 h LYS 193 N 0.45 0.76 -0.01 3.15 1.63 -1.42 -3.36 116.57 117.77 3ma4 h LYS 193 Ca 0.21 -0.57 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 3ma4 h LYS 193 Cb 0.12 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 3ma4 h LYS 193 CO -0.15 1.19 0.00 0.66 -3.45 0.00 0.00 179.45 177.70 3ma4 n TYR 194 N -4.03 0.01 -0.84 1.91 4.01 -0.90 -4.75 117.16 112.56 3ma4 n TYR 194 Ca -0.07 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3ma4 n TYR 194 Cb 0.68 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 3ma4 n TYR 194 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3ma4 n ARG 195 N 0.00 0.04 -0.92 -0.72 5.12 0.76 -4.98 116.66 115.96 3ma4 n ARG 195 Ca 0.01 -0.27 0.00 0.00 -1.93 0.00 0.00 57.85 55.66 3ma4 n ARG 195 Cb 0.06 -0.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.78 3ma4 n ARG 195 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ma4 n GLY 196 N -0.03 0.05 3.68 -0.13 0.00 -1.07 -4.94 105.19 102.74 3ma4 n GLY 196 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3ma4 n GLY 196 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ma4 s PHE 197 N -1.11 3.26 -0.01 1.61 5.36 -1.06 -4.95 117.98 121.08 3ma4 s PHE 197 Ca 0.00 0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 56.11 3ma4 s PHE 197 Cb 0.00 -1.96 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 3ma4 s PHE 197 CO 0.00 0.33 0.04 0.95 -1.46 0.00 0.00 175.22 175.08 3ma4 s THR 198 N -0.23 0.02 0.31 0.12 -4.23 -1.26 -2.81 115.64 107.56 3ma4 s THR 198 Ca 0.07 -0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.09 3ma4 s THR 198 Cb -0.12 -0.12 -0.11 0.00 1.34 0.00 0.00 72.50 73.48 3ma4 s THR 198 CO 0.02 -0.11 1.57 -0.63 -0.54 0.00 0.00 174.62 174.93 3ma4 s ILE 199 N -0.31 2.08 0.55 2.99 1.01 -1.26 -4.92 121.20 121.34 3ma4 s ILE 199 Ca -0.04 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.48 3ma4 s ILE 199 Cb -0.02 -3.04 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 3ma4 s ILE 199 CO -0.00 0.01 1.15 -2.65 0.00 0.00 0.00 174.94 173.45 3ma4 n PRO 200 N 1.81 1.29 0.21 2.79 -0.02 -1.26 -4.89 135.00 134.94 3ma4 n PRO 200 Ca 0.07 0.48 0.06 0.00 -2.02 0.00 0.00 63.50 62.08 3ma4 n PRO 200 Cb 0.38 -2.33 0.47 0.00 -0.02 0.00 0.00 33.50 32.00 3ma4 n PRO 200 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ma4 h GLU 201 N 1.03 0.00 0.00 -0.52 4.39 -2.04 -2.76 114.58 114.68 3ma4 h GLU 201 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3ma4 h GLU 201 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 3ma4 h GLU 201 CO 0.54 0.27 0.00 0.00 -1.16 0.00 0.00 179.01 178.66 3ma4 n ALA 202 N -2.43 2.09 -2.55 3.43 0.00 -1.26 -3.90 120.51 115.90 3ma4 n ALA 202 Ca -0.02 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 3ma4 n ALA 202 Cb 0.33 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3ma4 n ALA 202 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ma4 n PHE 203 N -1.38 4.47 0.23 0.00 3.72 -1.04 -4.78 117.46 118.68 3ma4 n PHE 203 Ca 0.08 -3.00 0.09 0.00 -0.05 0.00 0.00 57.45 54.57 3ma4 n PHE 203 Cb 0.21 -2.45 0.55 0.00 -0.94 0.00 0.00 39.48 36.85 3ma4 n PHE 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ma4 h ARG 204 N 7.09 0.00 -0.01 -1.08 2.47 -1.87 -2.14 114.38 118.84 3ma4 h ARG 204 Ca 0.43 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 59.03 3ma4 h ARG 204 Cb 0.82 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.15 3ma4 h ARG 204 CO 1.47 0.22 -0.42 0.78 0.56 0.00 0.00 179.97 182.58 3ma4 h GLY 205 N 1.14 0.35 0.84 0.04 0.00 -1.86 -0.64 103.07 102.94 3ma4 h GLY 205 Ca -0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 3ma4 h GLY 205 CO 0.03 0.52 -0.02 -2.08 0.00 0.00 0.00 176.54 174.99 3ma4 h VAL 206 N -0.25 1.08 -0.87 4.60 2.07 -1.78 -0.29 116.25 120.81 3ma4 h VAL 206 Ca -0.05 -0.37 0.22 0.00 0.82 0.00 0.00 66.70 67.32 3ma4 h VAL 206 Cb 1.14 1.32 -0.13 0.00 -1.52 0.00 0.00 31.29 32.11 3ma4 h VAL 206 CO 0.08 0.09 0.33 0.45 0.02 0.00 0.00 177.57 178.55 3ma4 h HIS 207 N -0.21 0.53 0.07 1.57 -0.00 -1.43 -1.15 115.15 114.54 3ma4 h HIS 207 Ca -0.01 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3ma4 h HIS 207 Cb 0.19 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 3ma4 h HIS 207 CO -0.02 -0.09 -0.03 -0.09 -0.00 0.00 0.00 177.93 177.69 3ma4 h ARG 208 N 0.34 -0.09 -0.60 2.45 2.43 -0.10 -2.82 114.38 115.98 3ma4 h ARG 208 Ca 0.54 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.82 3ma4 h ARG 208 Cb 1.03 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.48 3ma4 h ARG 208 CO -0.55 0.19 -0.34 -0.92 -1.51 0.00 0.00 179.97 176.83 3ma4 h TYR 209 N -0.37 -0.95 -0.94 2.20 3.20 -0.76 0.11 116.97 119.46 3ma4 h TYR 209 Ca -0.01 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3ma4 h TYR 209 Cb 0.32 0.50 -0.05 0.00 1.54 0.00 0.00 36.73 39.05 3ma4 h TYR 209 CO 0.02 -0.38 0.56 -0.07 -1.64 0.00 0.00 178.16 176.64 3ma4 h LEU 210 N -0.16 1.13 -0.30 2.82 3.38 -1.26 0.34 115.31 121.27 3ma4 h LEU 210 Ca 0.23 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3ma4 h LEU 210 Cb 0.55 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3ma4 h LEU 210 CO -0.69 0.87 0.18 0.28 0.09 0.00 0.00 178.44 179.17 3ma4 h SER 211 N 1.30 0.30 -0.35 -0.43 0.02 -0.84 0.40 113.55 113.95 3ma4 h SER 211 Ca 0.34 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.18 3ma4 h SER 211 Cb -0.05 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3ma4 h SER 211 CO -0.06 0.22 -0.21 0.78 -1.14 0.00 0.00 176.83 176.41 3ma4 h ASN 212 N 0.37 0.79 -0.07 3.07 2.35 -0.60 -1.91 115.58 119.57 3ma4 h ASN 212 Ca 0.12 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3ma4 h ASN 212 Cb -0.01 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 3ma4 h ASN 212 CO -0.05 1.04 0.05 0.00 -1.65 0.00 0.00 177.43 176.83 3ma4 h ALA 213 N 0.77 0.09 0.00 -0.83 0.00 0.13 -2.38 119.26 117.05 3ma4 h ALA 213 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ma4 h ALA 213 Cb 0.77 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ma4 h ALA 213 CO 0.06 -0.41 -0.06 1.88 0.00 0.00 0.00 179.25 180.72 3ma4 h TYR 214 N 0.10 0.00 0.00 0.00 0.05 -0.23 -2.27 116.97 114.62 3ma4 h TYR 214 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3ma4 h TYR 214 Cb -0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3ma4 h TYR 214 CO -0.07 0.06 0.07 0.00 -1.05 0.00 0.00 178.16 177.17 3ma4 h ALA 215 N 1.94 1.06 -3.02 3.88 0.00 -0.79 -3.43 119.26 118.90 3ma4 h ALA 215 Ca -0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 3ma4 h ALA 215 Cb 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.84 3ma4 h ALA 215 CO 0.01 -0.06 -0.60 1.03 0.00 0.00 0.00 179.25 179.63 3ma4 s ARG 216 N -4.14 3.77 0.35 0.00 1.81 -0.85 -5.01 118.95 114.88 3ma4 s ARG 216 Ca -0.05 -0.42 0.13 0.00 -1.72 0.00 0.00 55.73 53.67 3ma4 s ARG 216 Cb 0.12 -3.34 0.96 0.00 -0.45 0.00 0.00 34.95 32.24 3ma4 s ARG 216 CO 0.38 -0.08 1.76 1.05 -0.68 0.00 0.00 175.30 177.74 3ma4 h GLU 217 N 7.89 0.51 -0.22 3.54 4.11 -1.86 0.24 114.58 128.79 3ma4 h GLU 217 Ca -0.37 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.09 3ma4 h GLU 217 Cb 1.18 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3ma4 h GLU 217 CO 0.60 0.34 0.22 0.93 0.07 0.00 0.00 179.01 181.17 3ma4 h GLU 218 N 0.53 0.00 0.00 1.06 3.07 -1.95 0.27 114.58 117.56 3ma4 h GLU 218 Ca 0.61 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.42 3ma4 h GLU 218 Cb 1.28 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.19 3ma4 h GLU 218 CO -0.37 0.00 -0.84 0.34 -1.40 0.00 0.00 179.01 176.74 3ma4 n PHE 219 N -3.90 0.62 0.05 4.33 7.35 -0.02 -4.37 117.46 121.52 3ma4 n PHE 219 Ca 0.03 0.27 0.03 0.00 -0.76 0.00 0.00 57.45 57.01 3ma4 n PHE 219 Cb 0.36 -0.74 0.40 0.00 0.35 0.00 0.00 39.48 39.85 3ma4 n PHE 219 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ma4 h ALA 220 N -0.95 1.59 -0.00 3.13 0.00 -0.50 -2.72 119.26 119.81 3ma4 h ALA 220 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ma4 h ALA 220 Cb 0.79 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ma4 h ALA 220 CO -0.04 0.31 -0.29 0.43 0.00 0.00 0.00 179.25 179.66 3ma4 n SER 221 N -4.38 0.51 -0.76 0.00 7.64 0.93 -3.56 113.62 114.00 3ma4 n SER 221 Ca 0.01 -0.31 0.08 0.00 1.01 0.00 0.00 58.87 59.66 3ma4 n SER 221 Cb 0.16 0.04 0.13 0.00 -1.01 0.00 0.00 64.21 63.53 3ma4 n SER 221 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3ma4 n THR 222 N -1.23 0.45 -2.58 0.44 -2.24 -1.04 -4.95 114.28 103.13 3ma4 n THR 222 Ca 0.09 -0.72 -0.40 0.00 -2.27 0.00 0.00 64.05 60.74 3ma4 n THR 222 Cb 0.33 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.47 3ma4 n THR 222 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ma4 s PRO 224 N -1.02 1.20 0.43 0.00 0.02 -1.26 -4.95 135.00 129.41 3ma4 s PRO 224 Ca 0.45 1.06 -0.25 0.00 0.02 0.00 0.00 61.00 62.27 3ma4 s PRO 224 Cb -0.29 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.35 3ma4 s PRO 224 CO 0.36 -2.35 1.30 -0.25 -0.33 0.00 0.00 177.00 175.73 3ma4 n ASP 225 N -3.99 2.69 -0.18 2.53 9.92 -1.26 -4.88 116.55 121.38 3ma4 n ASP 225 Ca 0.08 1.11 -0.00 0.00 -0.53 0.00 0.00 54.79 55.45 3ma4 n ASP 225 Cb 0.54 -1.52 0.09 0.00 -0.64 0.00 0.00 41.12 39.59 3ma4 n ASP 225 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3ma4 h ASP 226 N 2.12 -0.12 -0.83 -2.24 5.19 -2.00 -1.79 116.42 116.77 3ma4 h ASP 226 Ca -0.48 0.12 0.17 0.00 -0.62 0.00 0.00 57.03 56.21 3ma4 h ASP 226 Cb 1.29 0.19 -0.10 0.00 0.18 0.00 0.00 39.33 40.89 3ma4 h ASP 226 CO 0.60 -0.04 0.38 -0.08 -3.12 0.00 0.00 179.24 176.98 3ma4 h GLU 227 N 0.18 0.49 -0.76 3.56 4.81 -1.99 -0.92 114.58 119.95 3ma4 h GLU 227 Ca 0.29 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 3ma4 h GLU 227 Cb 0.44 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3ma4 h GLU 227 CO -0.42 0.32 0.28 0.93 -0.73 0.00 0.00 179.01 179.38 3ma4 h GLU 228 N 0.50 1.15 -0.12 1.92 4.39 -1.69 -1.22 114.58 119.51 3ma4 h GLU 228 Ca 0.47 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.84 3ma4 h GLU 228 Cb 0.76 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3ma4 h GLU 228 CO -0.43 0.95 -0.37 0.82 -1.16 0.00 0.00 179.01 178.82 3ma4 h ILE 229 N 1.10 1.37 -0.70 3.13 2.04 -1.09 -1.89 117.51 121.48 3ma4 h ILE 229 Ca 0.25 -1.68 0.15 0.00 1.00 0.00 0.00 64.86 64.57 3ma4 h ILE 229 Cb 0.25 2.12 -0.11 0.00 -0.74 0.00 0.00 36.82 38.34 3ma4 h ILE 229 CO -0.02 0.50 0.14 -0.33 0.00 0.00 0.00 178.15 178.44 3ma4 h GLU 230 N 0.06 0.23 -0.20 2.37 5.08 -1.18 -2.06 114.58 118.88 3ma4 h GLU 230 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3ma4 h GLU 230 Cb 1.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3ma4 h GLU 230 CO 0.08 0.15 0.08 -0.07 -1.00 0.00 0.00 179.01 178.26 3ma4 h LEU 231 N 0.24 0.27 -1.13 1.33 3.38 -1.12 -2.27 115.31 116.01 3ma4 h LEU 231 Ca 0.38 -0.15 0.31 0.00 0.09 0.00 0.00 57.88 58.51 3ma4 h LEU 231 Cb 0.64 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.19 3ma4 h LEU 231 CO -0.50 0.34 0.63 0.00 0.09 0.00 0.00 178.44 179.01 3ma4 h ALA 232 N 0.93 2.07 -0.28 1.53 0.00 -0.64 -2.46 119.26 120.42 3ma4 h ALA 232 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ma4 h ALA 232 Cb 0.16 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ma4 h ALA 232 CO -0.01 -0.61 0.00 0.66 0.00 0.00 0.00 179.25 179.29 3ma4 n TYR 233 N -4.87 0.35 -0.17 0.00 4.01 -0.89 -4.67 117.16 110.92 3ma4 n TYR 233 Ca 0.30 -0.18 -0.09 0.00 -0.16 0.00 0.00 57.90 57.77 3ma4 n TYR 233 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 3ma4 n TYR 233 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3ma4 h GLU 234 N 3.99 0.75 0.00 -0.72 4.81 -1.04 0.49 114.58 122.86 3ma4 h GLU 234 Ca 0.00 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 58.97 3ma4 h GLU 234 Cb 0.87 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3ma4 h GLU 234 CO 0.00 0.72 -0.42 0.37 -0.73 0.00 0.00 179.01 178.95 3ma4 h GLN 235 N 0.64 0.00 0.01 1.92 4.15 -1.83 -2.96 115.11 117.04 3ma4 h GLN 235 Ca 0.15 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.23 3ma4 h GLN 235 Cb 0.29 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.92 3ma4 h GLN 235 CO -0.00 0.42 -2.14 1.33 -1.93 0.00 0.00 178.83 176.51 3ma4 n VAL 236 N -3.81 1.49 0.22 2.39 0.24 -1.06 -4.11 118.33 113.69 3ma4 n VAL 236 Ca -0.01 -0.81 0.08 0.00 -2.04 0.00 0.00 64.34 61.56 3ma4 n VAL 236 Cb 0.48 -0.78 0.45 0.00 -1.47 0.00 0.00 33.84 32.52 3ma4 n VAL 236 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ma4 h ALA 237 N 0.89 1.29 -1.15 2.33 0.00 0.17 -3.40 119.26 119.39 3ma4 h ALA 237 Ca -0.45 0.00 -0.79 0.00 0.00 0.00 0.00 54.91 53.67 3ma4 h ALA 237 Cb 2.13 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.96 3ma4 h ALA 237 CO 0.04 -0.29 0.36 1.63 0.00 0.00 0.00 179.25 180.99 3ma4 n LYS 238 N -2.29 0.27 0.00 0.00 4.76 -1.26 -4.82 118.16 114.83 3ma4 n LYS 238 Ca -0.01 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 3ma4 n LYS 238 Cb 0.39 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 3ma4 n LYS 238 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ma4 n ALA 239 N 2.64 1.44 -0.07 7.82 0.00 -1.13 -4.18 120.51 127.03 3ma4 n ALA 239 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.61 3ma4 n ALA 239 Cb 0.06 0.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 3ma4 n ALA 239 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ma4 n LEU 240 N -1.21 1.52 0.00 0.00 0.00 -1.25 -3.34 117.00 112.71 3ma4 n LEU 240 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 56.01 56.39 3ma4 n LEU 240 Cb 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 43.42 42.89 3ma4 n LEU 240 CO 0.00 -0.38 0.00 1.17 0.00 0.00 0.00 177.39 178.18