#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ab4 s LEU 3 N 0.00 4.04 -0.05 0.00 0.20 -1.26 -0.05 118.68 121.56 3ab4 s LEU 3 Ca 0.00 -0.60 0.04 0.00 0.69 0.00 0.00 54.13 54.26 3ab4 s LEU 3 Cb 0.00 -1.96 0.00 0.00 -0.43 0.00 0.00 46.19 43.80 3ab4 s LEU 3 CO 0.00 -0.20 -0.16 0.54 -0.29 0.00 0.00 176.35 176.24 3ab4 s VAL 4 N 1.57 1.37 -0.11 1.68 0.11 -0.47 -0.72 120.40 123.84 3ab4 s VAL 4 Ca 0.04 -0.67 -0.03 0.00 -2.93 0.00 0.00 61.98 58.39 3ab4 s VAL 4 Cb -0.17 -1.19 -0.03 0.00 -1.53 0.00 0.00 36.38 33.45 3ab4 s VAL 4 CO 0.05 0.40 0.02 -0.69 -3.33 0.00 0.00 175.10 171.55 3ab4 s VAL 5 N 0.18 4.49 -0.10 2.04 1.01 -1.07 -1.89 120.40 125.06 3ab4 s VAL 5 Ca -0.07 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.76 3ab4 s VAL 5 Cb -0.13 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.35 3ab4 s VAL 5 CO 0.03 0.58 -0.15 -1.10 0.00 0.00 0.00 175.10 174.45 3ab4 s GLN 6 N -0.61 2.15 -0.15 2.72 -0.21 -0.73 -0.42 119.66 122.41 3ab4 s GLN 6 Ca 0.10 -0.54 -0.03 0.00 0.02 0.00 0.00 55.36 54.91 3ab4 s GLN 6 Cb -0.12 -1.81 -0.02 0.00 1.00 0.00 0.00 33.01 32.06 3ab4 s GLN 6 CO 0.02 -0.03 -0.06 0.21 -2.12 0.00 0.00 175.29 173.30 3ab4 s LYS 7 N 0.90 3.59 -0.21 2.91 2.36 0.26 -0.24 119.74 129.32 3ab4 s LYS 7 Ca -0.09 -0.57 0.02 0.00 -2.55 0.00 0.00 55.97 52.78 3ab4 s LYS 7 Cb -0.15 -2.84 0.04 0.00 -1.05 0.00 0.00 37.83 33.83 3ab4 s LYS 7 CO 0.00 0.23 -0.15 0.71 1.55 0.00 0.00 175.35 177.69 3ab4 s TYR 8 N 0.37 2.90 1.06 4.03 2.02 -0.62 -0.42 117.35 126.69 3ab4 s TYR 8 Ca -0.06 -1.88 -0.17 0.00 -0.37 0.00 0.00 57.07 54.59 3ab4 s TYR 8 Cb -0.15 -1.88 0.23 0.00 -0.40 0.00 0.00 41.96 39.77 3ab4 s TYR 8 CO 0.04 -0.82 1.23 0.20 -1.57 0.00 0.00 175.55 174.62 3ab4 s GLY 9 N 1.24 1.69 0.25 0.71 0.00 -1.10 -1.21 107.32 108.90 3ab4 s GLY 9 Ca -0.01 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.59 3ab4 s GLY 9 CO -0.09 -0.26 1.87 -1.33 0.00 0.00 0.00 173.10 173.28 3ab4 h GLY 10 N -2.03 1.43 1.82 0.20 0.00 -1.87 -2.24 103.07 100.38 3ab4 h GLY 10 Ca -0.45 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 46.29 3ab4 h GLY 10 CO 0.37 0.32 -0.63 1.48 0.00 0.00 0.00 176.54 178.08 3ab4 h SER 11 N 1.11 0.21 0.62 0.19 4.64 -1.93 0.19 113.55 118.59 3ab4 h SER 11 Ca 0.40 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 3ab4 h SER 11 Cb 0.14 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3ab4 h SER 11 CO -0.17 0.78 -0.11 0.28 -0.87 0.00 0.00 176.83 176.75 3ab4 h SER 12 N 0.13 0.00 -0.25 4.97 0.02 -1.75 -3.20 113.55 113.47 3ab4 h SER 12 Ca -0.01 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.76 3ab4 h SER 12 Cb 1.14 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.54 3ab4 h SER 12 CO 0.09 0.11 -0.55 0.18 -1.14 0.00 0.00 176.83 175.52 3ab4 n LEU 13 N -3.38 3.49 0.09 5.07 4.77 -0.78 -4.33 117.00 121.93 3ab4 n LEU 13 Ca -0.01 -4.15 0.13 0.00 -0.03 0.00 0.00 56.01 51.95 3ab4 n LEU 13 Cb 0.29 -0.49 0.40 0.00 -2.33 0.00 0.00 43.42 41.29 3ab4 n LEU 13 CO 0.29 1.61 0.83 -1.84 -1.33 0.00 0.00 177.39 176.95 3ab4 n GLU 14 N -1.00 0.24 -4.01 3.23 0.28 -0.86 -4.07 120.64 114.46 3ab4 n GLU 14 Ca 0.28 0.18 -0.09 0.00 -0.16 0.00 0.00 57.16 57.36 3ab4 n GLU 14 Cb 0.79 -1.76 -0.05 0.00 1.43 0.00 0.00 31.44 31.84 3ab4 n GLU 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3ab4 s SER 15 N -4.36 -0.06 0.07 -1.84 1.04 -1.26 -4.68 113.70 102.61 3ab4 s SER 15 Ca 0.10 -0.96 -0.24 0.00 0.48 0.00 0.00 55.95 55.34 3ab4 s SER 15 Cb 0.13 0.58 -0.16 0.00 0.10 0.00 0.00 66.02 66.68 3ab4 s SER 15 CO 0.61 -1.14 1.64 0.00 0.98 0.00 0.00 173.24 175.32 3ab4 h ALA 16 N 2.26 0.01 -0.52 5.32 0.00 -2.00 -1.61 119.26 122.71 3ab4 h ALA 16 Ca -0.26 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.70 3ab4 h ALA 16 Cb 1.25 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 3ab4 h ALA 16 CO 0.36 -0.44 -0.16 1.49 0.00 0.00 0.00 179.25 180.50 3ab4 h GLU 17 N -0.10 -0.03 0.00 0.00 4.81 -1.99 -1.30 114.58 115.97 3ab4 h GLU 17 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 3ab4 h GLU 17 Cb 0.11 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3ab4 h GLU 17 CO -0.00 -0.02 -0.46 0.00 -0.73 0.00 0.00 179.01 177.80 3ab4 h ARG 18 N -0.03 0.00 -0.16 1.92 2.47 -1.82 -1.77 114.38 114.99 3ab4 h ARG 18 Ca 0.25 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.90 3ab4 h ARG 18 Cb 0.42 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3ab4 h ARG 18 CO -0.56 0.46 -0.17 0.82 0.56 0.00 0.00 179.97 181.08 3ab4 h ILE 19 N 0.00 1.34 -0.73 2.04 2.04 -0.54 -1.28 117.51 120.38 3ab4 h ILE 19 Ca -0.00 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.54 3ab4 h ILE 19 Cb 0.85 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 3ab4 h ILE 19 CO 0.06 0.40 0.48 0.03 0.00 0.00 0.00 178.15 179.12 3ab4 h ARG 20 N 0.04 0.86 -0.46 2.37 3.08 -1.12 0.26 114.38 119.41 3ab4 h ARG 20 Ca 0.02 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 3ab4 h ARG 20 Cb 0.72 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3ab4 h ARG 20 CO 0.04 0.57 -0.13 -0.97 -1.07 0.00 0.00 179.97 178.41 3ab4 h ASN 21 N 0.89 0.91 0.01 7.04 -0.73 -1.15 -1.76 115.58 120.80 3ab4 h ASN 21 Ca 0.29 -0.37 -0.08 0.00 1.87 0.00 0.00 56.30 58.02 3ab4 h ASN 21 Cb 0.06 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.39 3ab4 h ASN 21 CO -0.08 1.07 -0.21 0.58 -0.37 0.00 0.00 177.43 178.42 3ab4 h VAL 22 N 0.74 1.24 -0.08 2.57 2.07 -0.77 -2.66 116.25 119.37 3ab4 h VAL 22 Ca 0.11 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.55 3ab4 h VAL 22 Cb 0.69 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3ab4 h VAL 22 CO 0.05 0.35 -0.08 0.00 0.02 0.00 0.00 177.57 177.90 3ab4 h ALA 23 N 1.45 -0.02 -0.69 1.67 0.00 -0.04 -1.34 119.26 120.30 3ab4 h ALA 23 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ab4 h ALA 23 Cb 0.56 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3ab4 h ALA 23 CO 0.04 -0.55 0.38 1.49 0.00 0.00 0.00 179.25 180.61 3ab4 h GLU 24 N -0.11 0.95 -0.67 0.00 4.22 -1.22 -1.75 114.58 116.01 3ab4 h GLU 24 Ca 0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 3ab4 h GLU 24 Cb 0.19 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3ab4 h GLU 24 CO -0.15 0.71 0.35 -0.09 -2.18 0.00 0.00 179.01 177.66 3ab4 h ARG 25 N 0.94 0.94 -0.44 1.92 2.43 -1.31 0.93 114.38 119.80 3ab4 h ARG 25 Ca 0.24 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3ab4 h ARG 25 Cb 0.04 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3ab4 h ARG 25 CO -0.04 0.73 0.28 0.82 -1.51 0.00 0.00 179.97 180.25 3ab4 h ILE 26 N 0.92 1.10 -0.05 1.20 2.04 -0.95 -1.12 117.51 120.65 3ab4 h ILE 26 Ca 0.23 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.81 3ab4 h ILE 26 Cb 0.07 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3ab4 h ILE 26 CO -0.03 0.10 -0.37 0.58 0.00 0.00 0.00 178.15 178.43 3ab4 h VAL 27 N 0.57 1.28 0.00 1.67 2.07 -0.93 -2.71 116.25 118.21 3ab4 h VAL 27 Ca 0.16 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 3ab4 h VAL 27 Cb -0.05 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3ab4 h VAL 27 CO -0.05 0.39 -0.31 0.00 0.02 0.00 0.00 177.57 177.62 3ab4 h ALA 28 N 1.55 0.87 -0.11 1.67 0.00 -0.45 -1.94 119.26 120.84 3ab4 h ALA 28 Ca 0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 3ab4 h ALA 28 Cb 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3ab4 h ALA 28 CO 0.05 0.38 -0.39 1.15 0.00 0.00 0.00 179.25 180.44 3ab4 h THR 29 N 0.00 1.38 0.00 0.00 2.02 -0.89 -2.90 112.91 112.51 3ab4 h THR 29 Ca -0.00 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.46 3ab4 h THR 29 Cb 1.05 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 3ab4 h THR 29 CO 0.04 0.51 -0.21 2.29 0.37 0.00 0.00 175.52 178.52 3ab4 n LYS 30 N -4.32 0.23 -0.07 6.66 -0.00 -1.13 -3.10 118.16 116.43 3ab4 n LYS 30 Ca -0.08 0.14 -0.09 0.00 -0.00 0.00 0.00 58.31 58.28 3ab4 n LYS 30 Cb 0.54 -1.72 0.07 0.00 -0.00 0.00 0.00 35.03 33.91 3ab4 n LYS 30 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 3ab4 h LYS 31 N 0.00 0.74 0.00 -1.58 3.64 -1.39 -2.98 116.57 115.00 3ab4 h LYS 31 Ca 0.00 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3ab4 h LYS 31 Cb 0.70 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3ab4 h LYS 31 CO 0.00 0.97 0.00 0.00 -2.27 0.00 0.00 179.45 178.15 3ab4 n ALA 32 N -2.51 2.07 0.00 5.00 0.00 -1.10 -4.79 120.51 119.18 3ab4 n ALA 32 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3ab4 n ALA 32 Cb 0.49 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3ab4 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ab4 n GLY 33 N 0.05 1.62 3.80 0.00 0.00 -1.12 -4.97 105.19 104.56 3ab4 n GLY 33 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3ab4 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ab4 s ASN 34 N -1.78 5.42 -0.12 1.61 -0.87 -1.21 -4.23 114.94 113.76 3ab4 s ASN 34 Ca 0.00 1.80 -0.06 0.00 -1.57 0.00 0.00 52.86 53.02 3ab4 s ASN 34 Cb 0.00 -2.52 -0.04 0.00 -0.02 0.00 0.00 41.25 38.67 3ab4 s ASN 34 CO 0.00 -1.42 0.11 -1.81 -2.57 0.00 0.00 177.10 171.41 3ab4 s ASP 35 N -3.08 6.12 -0.02 -1.22 1.11 0.92 -4.32 116.67 116.19 3ab4 s ASP 35 Ca 0.62 0.37 0.00 0.00 0.18 0.00 0.00 52.55 53.73 3ab4 s ASP 35 Cb -0.16 -1.96 0.01 0.00 1.07 0.00 0.00 42.92 41.88 3ab4 s ASP 35 CO 0.45 0.37 -0.01 0.54 1.18 0.00 0.00 175.17 177.70 3ab4 s VAL 36 N -0.79 0.14 -0.07 -1.27 0.11 -1.26 -1.36 120.40 115.90 3ab4 s VAL 36 Ca 0.13 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.24 3ab4 s VAL 36 Cb -0.12 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 3ab4 s VAL 36 CO 0.03 0.09 -0.20 0.68 -3.33 0.00 0.00 175.10 172.37 3ab4 s VAL 37 N 0.53 1.71 0.12 2.04 -7.23 -0.79 -2.33 120.40 114.45 3ab4 s VAL 37 Ca -0.05 -0.83 0.10 0.00 -1.81 0.00 0.00 61.98 59.39 3ab4 s VAL 37 Cb -0.08 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 3ab4 s VAL 37 CO -0.01 0.48 -0.23 0.68 -0.31 0.00 0.00 175.10 175.71 3ab4 s VAL 38 N 0.29 2.52 -0.09 1.32 -7.23 0.20 -1.78 120.40 115.64 3ab4 s VAL 38 Ca -0.13 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.46 3ab4 s VAL 38 Cb -0.16 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.67 3ab4 s VAL 38 CO 0.06 0.12 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.10 3ab4 s VAL 39 N -1.08 1.59 -0.05 1.32 1.01 0.67 -2.06 120.40 121.80 3ab4 s VAL 39 Ca 0.16 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 3ab4 s VAL 39 Cb -0.10 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3ab4 s VAL 39 CO 0.07 0.46 0.03 0.00 0.00 0.00 0.00 175.10 175.66 3ab4 s SER 41 N -1.28 4.36 0.70 0.00 0.01 -0.35 -4.88 113.70 112.26 3ab4 s SER 41 Ca 0.17 0.46 -0.11 0.00 1.31 0.00 0.00 55.95 57.78 3ab4 s SER 41 Cb -0.12 -0.92 0.01 0.00 0.21 0.00 0.00 66.02 65.20 3ab4 s SER 41 CO 0.07 -1.93 1.06 0.00 0.41 0.00 0.00 173.24 172.86 3ab4 s ALA 42 N -3.46 2.65 0.07 1.44 0.00 -1.26 -4.75 121.76 116.45 3ab4 s ALA 42 Ca 0.64 0.12 -0.31 0.00 0.00 0.00 0.00 51.96 52.41 3ab4 s ALA 42 Cb -0.09 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 3ab4 s ALA 42 CO 0.48 -1.24 1.70 -1.64 0.00 0.00 0.00 175.76 175.05 3ab4 s MET 43 N -4.97 4.18 0.00 0.00 1.00 -1.26 -3.92 119.30 114.33 3ab4 s MET 43 Ca 0.59 2.39 0.00 0.00 0.00 0.00 0.00 55.69 58.66 3ab4 s MET 43 Cb -0.14 -3.64 0.00 0.00 0.00 0.00 0.00 34.83 31.05 3ab4 s MET 43 CO 0.54 -0.77 0.00 0.41 0.00 0.00 0.00 175.02 175.20 3ab4 n GLY 44 N 4.07 0.00 2.59 -0.03 0.00 0.61 -1.54 105.19 110.89 3ab4 n GLY 44 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3ab4 n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ab4 n ASP 45 N 0.00 0.00 0.22 1.61 8.00 -1.26 -4.90 116.55 120.22 3ab4 n ASP 45 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 3ab4 n ASP 45 Cb 0.00 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.59 3ab4 n ASP 45 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3ab4 h THR 46 N 0.00 0.73 -0.06 -3.53 1.35 -1.55 0.26 112.91 110.11 3ab4 h THR 46 Ca 0.00 -1.10 -0.17 0.00 -0.55 0.00 0.00 66.41 64.59 3ab4 h THR 46 Cb 0.00 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 3ab4 h THR 46 CO 0.00 0.25 -0.71 0.71 -0.25 0.00 0.00 175.52 175.52 3ab4 h THR 47 N 0.00 1.40 -0.34 6.82 1.35 -1.88 0.20 112.91 120.46 3ab4 h THR 47 Ca -0.00 -2.18 -0.10 0.00 -0.55 0.00 0.00 66.41 63.58 3ab4 h THR 47 Cb 0.67 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 3ab4 h THR 47 CO 0.03 0.65 -0.17 0.44 -0.25 0.00 0.00 175.52 176.22 3ab4 h ASP 48 N 0.21 0.74 -0.56 5.36 3.32 -1.83 -1.08 116.42 122.57 3ab4 h ASP 48 Ca -0.02 -0.41 0.02 0.00 0.02 0.00 0.00 57.03 56.64 3ab4 h ASP 48 Cb 1.27 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 3ab4 h ASP 48 CO 0.11 0.98 0.35 -0.33 -1.72 0.00 0.00 179.24 178.64 3ab4 h GLU 49 N 0.49 0.68 -0.27 3.56 5.08 -0.85 -2.49 114.58 120.80 3ab4 h GLU 49 Ca 0.08 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3ab4 h GLU 49 Cb 0.71 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3ab4 h GLU 49 CO 0.05 0.45 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.26 3ab4 h LEU 50 N 0.70 0.47 -0.50 1.33 4.07 -0.50 -2.22 115.31 118.66 3ab4 h LEU 50 Ca 0.22 -0.14 -0.15 0.00 0.08 0.00 0.00 57.88 57.89 3ab4 h LEU 50 Cb -0.01 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 3ab4 h LEU 50 CO -0.08 0.67 -0.38 -0.07 -1.08 0.00 0.00 178.44 177.50 3ab4 h LEU 51 N 0.43 0.85 -0.97 1.67 3.38 -0.99 -1.06 115.31 118.62 3ab4 h LEU 51 Ca 0.07 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 3ab4 h LEU 51 Cb 0.57 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3ab4 h LEU 51 CO 0.04 1.14 0.04 -0.08 0.09 0.00 0.00 178.44 179.66 3ab4 h GLU 52 N 0.66 0.79 -0.18 1.13 4.81 -1.32 -0.97 114.58 119.50 3ab4 h GLU 52 Ca 0.06 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 3ab4 h GLU 52 Cb 0.94 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 3ab4 h GLU 52 CO 0.09 0.77 -0.13 1.25 -0.73 0.00 0.00 179.01 180.26 3ab4 h LEU 53 N 0.74 0.42 -0.10 1.64 5.85 -1.22 -2.20 115.31 120.45 3ab4 h LEU 53 Ca 0.15 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.46 3ab4 h LEU 53 Cb 0.40 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3ab4 h LEU 53 CO 0.01 0.78 -0.16 0.00 -0.34 0.00 0.00 178.44 178.73 3ab4 h ALA 54 N 0.65 -0.11 -0.84 1.25 0.00 -1.08 -0.23 119.26 118.91 3ab4 h ALA 54 Ca 0.03 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.20 3ab4 h ALA 54 Cb 0.64 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3ab4 h ALA 54 CO 0.04 -0.62 0.58 0.00 0.00 0.00 0.00 179.25 179.24 3ab4 h ALA 55 N 0.81 2.45 0.00 0.00 0.00 -1.03 0.33 119.26 121.83 3ab4 h ALA 55 Ca 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ab4 h ALA 55 Cb 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ab4 h ALA 55 CO -0.23 -0.71 -0.84 0.00 0.00 0.00 0.00 179.25 177.48 3ab4 h ALA 56 N 1.61 0.59 0.00 0.00 0.00 -0.69 -3.33 119.26 117.45 3ab4 h ALA 56 Ca 0.42 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 3ab4 h ALA 56 Cb 1.31 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3ab4 h ALA 56 CO -0.09 0.04 -1.25 0.28 0.00 0.00 0.00 179.25 178.22 3ab4 h VAL 57 N 0.00 0.43 -1.28 0.00 2.07 0.76 -3.46 116.25 114.76 3ab4 h VAL 57 Ca -0.01 -1.81 0.13 0.00 0.82 0.00 0.00 66.70 65.83 3ab4 h VAL 57 Cb 1.02 1.96 -0.21 0.00 -1.52 0.00 0.00 31.29 32.54 3ab4 h VAL 57 CO 0.00 0.24 -0.03 0.21 0.02 0.00 0.00 177.57 178.01 3ab4 s ASN 58 N -5.76 -0.97 0.63 0.57 3.04 -0.26 -5.06 114.94 107.14 3ab4 s ASN 58 Ca -0.02 1.04 0.38 0.00 0.04 0.00 0.00 52.86 54.30 3ab4 s ASN 58 Cb 0.09 1.98 2.14 0.00 -1.54 0.00 0.00 41.25 43.92 3ab4 s ASN 58 CO 0.80 -0.18 2.31 1.55 -3.04 0.00 0.00 177.10 178.54 3ab4 h PRO 59 N 7.86 0.00 -3.03 0.43 0.13 -1.81 -3.18 132.00 132.40 3ab4 h PRO 59 Ca -0.18 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.34 3ab4 h PRO 59 Cb 1.13 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.86 3ab4 h PRO 59 CO 0.11 0.00 -0.74 0.08 -0.23 0.00 0.00 178.00 177.23 3ab4 s VAL 60 N -4.36 1.40 -0.07 1.56 1.01 -1.26 -4.97 120.40 113.70 3ab4 s VAL 60 Ca -0.05 -2.51 -0.30 0.00 0.00 0.00 0.00 61.98 59.13 3ab4 s VAL 60 Cb 0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3ab4 s VAL 60 CO 0.48 -0.88 1.36 -2.84 0.00 0.00 0.00 175.10 173.22 3ab4 s PRO 61 N 0.41 4.26 0.53 2.72 0.02 -1.20 -4.99 135.00 136.75 3ab4 s PRO 61 Ca 0.17 1.85 -0.22 0.00 0.02 0.00 0.00 61.00 62.82 3ab4 s PRO 61 Cb -0.24 -3.70 -0.05 0.00 0.02 0.00 0.00 34.50 30.52 3ab4 s PRO 61 CO -0.00 -0.64 1.36 -2.14 -0.33 0.00 0.00 177.00 175.24 3ab4 s PRO 62 N 3.00 3.22 0.17 5.54 0.02 -1.26 -4.86 135.00 140.82 3ab4 s PRO 62 Ca 0.61 2.23 -0.15 0.00 0.02 0.00 0.00 61.00 63.71 3ab4 s PRO 62 Cb -0.27 -2.30 0.07 0.00 0.02 0.00 0.00 34.50 32.02 3ab4 s PRO 62 CO 0.22 -1.13 1.81 0.00 -0.33 0.00 0.00 177.00 177.57 3ab4 h ALA 63 N 1.56 0.59 -0.88 -1.55 0.00 -1.99 -2.05 119.26 114.94 3ab4 h ALA 63 Ca -0.51 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.47 3ab4 h ALA 63 Cb 1.29 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 3ab4 h ALA 63 CO 0.58 -0.03 0.53 -0.09 0.00 0.00 0.00 179.25 180.24 3ab4 h ARG 64 N 0.56 0.90 0.01 0.00 9.65 -1.99 0.37 114.38 123.88 3ab4 h ARG 64 Ca 0.18 -0.05 -0.20 0.00 -1.10 0.00 0.00 59.98 58.81 3ab4 h ARG 64 Cb 0.01 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.36 3ab4 h ARG 64 CO -0.08 0.59 -0.92 0.93 2.80 0.00 0.00 179.97 183.29 3ab4 h GLU 65 N 0.92 0.09 -0.18 0.20 4.39 -1.92 -2.39 114.58 115.70 3ab4 h GLU 65 Ca 0.41 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.94 3ab4 h GLU 65 Cb 0.29 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3ab4 h GLU 65 CO -0.22 0.95 -0.07 1.98 -1.16 0.00 0.00 179.01 180.49 3ab4 h MET 66 N 0.04 0.36 -0.64 2.33 4.05 -0.40 0.24 114.93 120.91 3ab4 h MET 66 Ca -0.03 -0.15 0.14 0.00 -0.28 0.00 0.00 59.70 59.37 3ab4 h MET 66 Cb 1.60 -0.01 -0.11 0.00 -0.80 0.00 0.00 31.60 32.27 3ab4 h MET 66 CO 0.13 0.65 -0.03 0.22 0.23 0.00 0.00 176.91 178.11 3ab4 h ASP 67 N 0.05 -0.35 -0.10 1.39 1.82 -0.39 -0.10 116.42 118.73 3ab4 h ASP 67 Ca 0.04 0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 3ab4 h ASP 67 Cb 0.54 0.31 -0.00 0.00 0.68 0.00 0.00 39.33 40.85 3ab4 h ASP 67 CO 0.02 -0.14 0.02 -0.03 -1.61 0.00 0.00 179.24 177.49 3ab4 h MET 68 N 0.09 0.17 0.02 0.28 4.05 -0.93 -1.71 114.93 116.90 3ab4 h MET 68 Ca 0.33 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.74 3ab4 h MET 68 Cb 0.54 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.27 3ab4 h MET 68 CO -0.57 0.38 -0.35 1.25 0.23 0.00 0.00 176.91 177.84 3ab4 h LEU 69 N -0.06 -1.06 -0.47 3.39 5.85 -0.28 -2.62 115.31 120.06 3ab4 h LEU 69 Ca 0.03 0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.73 3ab4 h LEU 69 Cb 0.29 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3ab4 h LEU 69 CO 0.00 -0.41 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.17 3ab4 h LEU 70 N -0.52 0.84 -0.36 2.25 3.38 -0.91 -2.33 115.31 117.65 3ab4 h LEU 70 Ca 0.05 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.70 3ab4 h LEU 70 Cb 0.60 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 3ab4 h LEU 70 CO -0.27 1.16 -0.18 0.74 0.09 0.00 0.00 178.44 179.97 3ab4 h THR 71 N 0.62 0.46 -0.99 0.22 2.02 -1.33 -2.29 112.91 111.62 3ab4 h THR 71 Ca 0.04 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.33 3ab4 h THR 71 Cb 1.01 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 67.80 3ab4 h THR 71 CO 0.10 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.62 3ab4 h ALA 72 N 1.13 1.53 -0.53 6.16 0.00 -1.03 0.48 119.26 127.00 3ab4 h ALA 72 Ca 0.18 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3ab4 h ALA 72 Cb 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ab4 h ALA 72 CO -0.44 0.25 0.04 0.78 0.00 0.00 0.00 179.25 179.88 3ab4 h GLY 73 N 1.01 0.94 1.73 0.00 0.00 -1.20 -1.78 103.07 103.76 3ab4 h GLY 73 Ca 0.47 -0.61 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 3ab4 h GLY 73 CO -0.23 0.57 -0.72 0.83 0.00 0.00 0.00 176.54 176.99 3ab4 h GLU 74 N 0.82 0.26 0.00 4.80 5.08 -0.23 -3.13 114.58 122.18 3ab4 h GLU 74 Ca 0.16 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3ab4 h GLU 74 Cb 0.43 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3ab4 h GLU 74 CO 0.02 0.87 -0.41 0.00 -1.00 0.00 0.00 179.01 178.49 3ab4 h ARG 75 N 0.18 0.00 0.00 2.33 3.08 0.13 -1.50 114.38 118.60 3ab4 h ARG 75 Ca -0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.06 3ab4 h ARG 75 Cb 1.27 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.28 3ab4 h ARG 75 CO 0.11 0.41 -0.25 0.82 -1.07 0.00 0.00 179.97 179.99 3ab4 h ILE 76 N 0.00 0.42 -0.19 2.04 1.08 -1.27 -0.71 117.51 118.88 3ab4 h ILE 76 Ca -0.00 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 64.30 3ab4 h ILE 76 Cb 0.73 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3ab4 h ILE 76 CO 0.05 0.00 -0.54 0.77 -0.69 0.00 0.00 178.15 177.74 3ab4 h SER 77 N -0.39 0.81 -0.57 1.72 4.64 -1.56 -2.41 113.55 115.79 3ab4 h SER 77 Ca 0.06 -0.58 0.11 0.00 -0.47 0.00 0.00 61.79 60.91 3ab4 h SER 77 Cb 0.48 -0.24 -0.11 0.00 -0.31 0.00 0.00 62.40 62.22 3ab4 h SER 77 CO -0.22 1.25 -0.14 -1.13 -0.87 0.00 0.00 176.83 175.72 3ab4 h ASN 78 N 0.42 -0.52 -0.48 4.97 -0.00 -1.26 0.21 115.58 118.91 3ab4 h ASN 78 Ca -0.01 0.17 -0.01 0.00 -0.00 0.00 0.00 56.30 56.45 3ab4 h ASN 78 Cb 1.16 0.35 -0.02 0.00 -0.00 0.00 0.00 38.32 39.81 3ab4 h ASN 78 CO 0.12 -0.19 0.27 0.00 -0.00 0.00 0.00 177.43 177.64 3ab4 h ALA 79 N 1.57 0.62 -0.33 1.57 0.00 -1.02 -1.44 119.26 120.22 3ab4 h ALA 79 Ca 0.27 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ab4 h ALA 79 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ab4 h ALA 79 CO -0.58 0.12 0.03 -0.07 0.00 0.00 0.00 179.25 178.75 3ab4 h LEU 80 N 0.64 0.54 -0.62 0.00 3.38 -0.89 -1.27 115.31 117.09 3ab4 h LEU 80 Ca 0.17 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3ab4 h LEU 80 Cb 0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3ab4 h LEU 80 CO -0.03 0.69 0.39 0.58 0.09 0.00 0.00 178.44 180.16 3ab4 h VAL 81 N 0.38 1.10 -0.48 1.22 2.07 -0.60 -1.69 116.25 118.25 3ab4 h VAL 81 Ca 0.10 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.40 3ab4 h VAL 81 Cb 0.39 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 3ab4 h VAL 81 CO 0.01 0.14 0.20 0.00 0.02 0.00 0.00 177.57 177.94 3ab4 h ALA 82 N 1.26 0.59 -0.68 1.67 0.00 -1.01 0.56 119.26 121.66 3ab4 h ALA 82 Ca 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3ab4 h ALA 82 Cb -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3ab4 h ALA 82 CO -0.09 -0.17 0.39 0.52 0.00 0.00 0.00 179.25 179.90 3ab4 h MET 83 N 0.40 0.92 -0.17 0.00 2.07 -0.88 -1.64 114.93 115.63 3ab4 h MET 83 Ca 0.22 -0.09 -0.06 0.00 -2.07 0.00 0.00 59.70 57.70 3ab4 h MET 83 Cb 0.18 -0.19 -0.00 0.00 -1.87 0.00 0.00 31.60 29.72 3ab4 h MET 83 CO -0.19 0.66 -0.14 0.00 1.07 0.00 0.00 176.91 178.30 3ab4 h ALA 84 N 1.50 0.25 -0.38 6.32 0.00 -0.34 -1.23 119.26 125.38 3ab4 h ALA 84 Ca 0.24 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ab4 h ALA 84 Cb -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3ab4 h ALA 84 CO -0.04 0.13 0.13 0.82 0.00 0.00 0.00 179.25 180.28 3ab4 h ILE 85 N 0.05 0.88 -0.53 0.00 2.04 -0.79 -2.52 117.51 116.65 3ab4 h ILE 85 Ca 0.03 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3ab4 h ILE 85 Cb 0.67 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3ab4 h ILE 85 CO 0.04 0.05 0.28 -0.33 0.00 0.00 0.00 178.15 178.19 3ab4 h GLU 86 N 0.28 0.73 0.00 2.37 5.08 -1.14 -0.56 114.58 121.34 3ab4 h GLU 86 Ca 0.17 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3ab4 h GLU 86 Cb 0.16 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3ab4 h GLU 86 CO -0.18 0.55 -0.11 0.66 -1.00 0.00 0.00 179.01 178.92 3ab4 h SER 87 N 0.74 0.00 -0.03 1.42 4.64 -0.80 -2.83 113.55 116.69 3ab4 h SER 87 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3ab4 h SER 87 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3ab4 h SER 87 CO -0.03 0.11 -0.00 0.18 -0.87 0.00 0.00 176.83 176.22 3ab4 n LEU 88 N -3.72 2.74 0.00 5.97 4.32 -0.26 -4.99 117.00 121.06 3ab4 n LEU 88 Ca -0.02 -0.91 0.00 0.00 -0.02 0.00 0.00 56.01 55.06 3ab4 n LEU 88 Cb 0.22 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 3ab4 n LEU 88 CO 0.30 0.46 0.00 0.61 -1.22 0.00 0.00 177.39 177.54 3ab4 n GLY 89 N 1.32 1.70 3.81 -0.72 0.00 -0.94 -5.08 105.19 105.29 3ab4 n GLY 89 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3ab4 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ab4 s ALA 90 N -1.99 2.03 -0.06 4.61 0.00 -1.19 -4.97 121.76 120.19 3ab4 s ALA 90 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.52 3ab4 s ALA 90 Cb 0.00 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 3ab4 s ALA 90 CO 0.00 -2.07 -0.25 -1.83 0.00 0.00 0.00 175.76 171.61 3ab4 s GLU 91 N -5.32 2.55 -0.10 0.00 -1.05 -1.26 -3.90 118.70 109.62 3ab4 s GLU 91 Ca 0.63 -0.90 0.02 0.00 -0.15 0.00 0.00 54.97 54.57 3ab4 s GLU 91 Cb -0.14 -2.15 -0.02 0.00 -0.44 0.00 0.00 34.13 31.38 3ab4 s GLU 91 CO 0.53 0.37 -0.16 0.00 0.95 0.00 0.00 175.26 176.95 3ab4 s ALA 92 N -0.15 2.52 -0.27 -0.84 0.00 -1.26 -1.34 121.76 120.41 3ab4 s ALA 92 Ca -0.04 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 3ab4 s ALA 92 Cb -0.14 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 21.95 3ab4 s ALA 92 CO 0.04 0.34 0.03 -1.14 0.00 0.00 0.00 175.76 175.03 3ab4 s GLN 93 N 0.05 3.07 -0.03 0.00 2.00 0.29 -4.92 119.66 120.12 3ab4 s GLN 93 Ca -0.06 -0.85 -0.22 0.00 -2.00 0.00 0.00 55.36 52.22 3ab4 s GLN 93 Cb -0.15 -3.24 -0.05 0.00 0.80 0.00 0.00 33.01 30.38 3ab4 s GLN 93 CO 0.05 -0.40 0.65 -1.12 -0.50 0.00 0.00 175.29 173.97 3ab4 s SER 94 N 1.46 6.99 0.24 6.67 0.01 -1.26 -0.50 113.70 127.31 3ab4 s SER 94 Ca 0.02 1.18 0.07 0.00 1.31 0.00 0.00 55.95 58.53 3ab4 s SER 94 Cb -0.17 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 3ab4 s SER 94 CO 0.00 -0.00 -0.08 -0.36 0.41 0.00 0.00 173.24 173.21 3ab4 s PHE 95 N 0.28 1.80 0.17 2.43 0.08 0.21 -4.94 117.98 118.01 3ab4 s PHE 95 Ca 0.34 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.71 3ab4 s PHE 95 Cb -0.18 -0.97 0.00 0.00 -0.57 0.00 0.00 43.02 41.30 3ab4 s PHE 95 CO 0.18 0.26 0.00 -2.37 -0.10 0.00 0.00 175.22 173.19 3ab4 n THR 96 N -0.48 0.68 0.00 0.64 5.66 -1.26 -2.39 114.28 117.12 3ab4 n THR 96 Ca -0.06 0.22 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 3ab4 n THR 96 Cb 0.62 -1.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.30 3ab4 n THR 96 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3ab4 n ASP 115 N -3.44 0.00 -4.65 1.09 8.00 -1.26 -4.51 116.55 111.78 3ab4 n ASP 115 Ca 0.00 0.00 -0.57 0.00 0.71 0.00 0.00 54.79 54.93 3ab4 n ASP 115 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 3ab4 n ASP 115 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3ab4 n VAL 116 N 0.00 0.13 -3.68 2.53 0.31 -1.26 -4.95 118.33 111.41 3ab4 n VAL 116 Ca 0.00 -0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.18 3ab4 n VAL 116 Cb 0.00 -0.89 -0.09 0.00 -0.91 0.00 0.00 33.84 31.96 3ab4 n VAL 116 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3ab4 s THR 117 N 2.01 -0.00 0.60 2.52 -1.32 -1.26 -5.05 115.64 113.14 3ab4 s THR 117 Ca 0.93 0.01 0.29 0.00 -1.21 0.00 0.00 61.69 61.71 3ab4 s THR 117 Cb -1.09 -0.77 0.36 0.00 -1.51 0.00 0.00 72.50 69.49 3ab4 s THR 117 CO 0.59 0.00 2.00 1.55 -2.21 0.00 0.00 174.62 176.55 3ab4 h PRO 118 N 5.51 0.00 0.19 7.08 0.13 -1.93 -0.76 132.00 142.22 3ab4 h PRO 118 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3ab4 h PRO 118 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ab4 h PRO 118 CO 0.17 0.00 -0.09 0.78 -0.23 0.00 0.00 178.00 178.63 3ab4 h GLY 119 N 0.00 -0.27 -0.35 1.56 0.00 -1.96 -3.01 103.07 99.04 3ab4 h GLY 119 Ca 0.13 0.10 0.30 0.00 0.00 0.00 0.00 47.33 47.86 3ab4 h GLY 119 CO -0.00 -0.10 0.69 3.21 0.00 0.00 0.00 176.54 180.34 3ab4 h ARG 120 N -1.04 0.33 0.04 4.80 3.08 -1.53 0.26 114.38 120.32 3ab4 h ARG 120 Ca -0.03 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3ab4 h ARG 120 Cb 0.31 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3ab4 h ARG 120 CO 0.04 0.22 -0.02 0.28 -1.07 0.00 0.00 179.97 179.42 3ab4 h VAL 121 N 0.34 1.28 -0.97 2.04 2.07 -1.52 -2.53 116.25 116.97 3ab4 h VAL 121 Ca 0.65 -1.10 0.13 0.00 0.82 0.00 0.00 66.70 67.20 3ab4 h VAL 121 Cb 1.70 2.00 -0.09 0.00 -1.52 0.00 0.00 31.29 33.38 3ab4 h VAL 121 CO -0.36 0.27 0.59 0.03 0.02 0.00 0.00 177.57 178.13 3ab4 h ARG 122 N -0.55 0.88 -0.34 1.57 2.47 -0.70 0.24 114.38 117.95 3ab4 h ARG 122 Ca -0.01 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 3ab4 h ARG 122 Cb 0.49 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 3ab4 h ARG 122 CO 0.01 0.58 0.18 1.49 0.56 0.00 0.00 179.97 182.79 3ab4 h GLU 123 N 0.91 0.48 -0.35 0.04 4.81 -0.63 -1.64 114.58 118.20 3ab4 h GLU 123 Ca 0.49 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.59 3ab4 h GLU 123 Cb 0.54 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3ab4 h GLU 123 CO -0.29 0.42 -0.08 0.00 -0.73 0.00 0.00 179.01 178.34 3ab4 h ALA 124 N 1.03 1.20 0.05 2.92 0.00 -0.88 -2.06 119.26 121.53 3ab4 h ALA 124 Ca 0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ab4 h ALA 124 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ab4 h ALA 124 CO -0.02 0.52 -0.02 -0.07 0.00 0.00 0.00 179.25 179.65 3ab4 h LEU 125 N 0.55 -0.06 -0.28 0.00 4.07 -0.11 0.13 115.31 119.61 3ab4 h LEU 125 Ca 0.10 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3ab4 h LEU 125 Cb 0.47 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.23 3ab4 h LEU 125 CO 0.03 0.12 0.00 -2.24 -1.08 0.00 0.00 178.44 175.27 3ab4 h ASP 126 N -0.24 0.00 0.39 -0.43 3.04 -1.34 -1.57 116.42 116.27 3ab4 h ASP 126 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 3ab4 h ASP 126 Cb 0.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.50 3ab4 h ASP 126 CO 0.01 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.59 3ab4 n GLU 127 N -2.73 0.08 -0.26 4.15 1.02 -0.78 -4.88 120.64 117.24 3ab4 n GLU 127 Ca 0.04 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3ab4 n GLU 127 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3ab4 n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ab4 n GLY 128 N -0.10 0.87 3.87 0.62 0.00 -0.59 -5.07 105.19 104.79 3ab4 n GLY 128 Ca 0.05 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3ab4 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ab4 s LYS 129 N -0.69 3.73 0.02 1.61 1.02 0.42 -4.69 119.74 121.15 3ab4 s LYS 129 Ca 0.00 0.15 -0.28 0.00 0.02 0.00 0.00 55.97 55.86 3ab4 s LYS 129 Cb 0.00 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 3ab4 s LYS 129 CO 0.00 0.62 0.89 0.42 -0.92 0.00 0.00 175.35 176.36 3ab4 s ILE 130 N -1.29 4.81 -0.22 2.17 1.09 -0.45 -4.18 121.20 123.13 3ab4 s ILE 130 Ca 0.29 1.87 -0.08 0.00 -1.10 0.00 0.00 60.65 61.63 3ab4 s ILE 130 Cb -0.14 -4.23 -0.04 0.00 -1.06 0.00 0.00 42.46 36.99 3ab4 s ILE 130 CO 0.16 0.24 0.09 0.00 -0.10 0.00 0.00 174.94 175.33 3ab4 s ILE 132 N 1.06 2.88 0.05 0.00 1.10 0.34 0.60 121.20 127.23 3ab4 s ILE 132 Ca 0.05 -0.69 0.07 0.00 -0.51 0.00 0.00 60.65 59.57 3ab4 s ILE 132 Cb -0.14 -2.24 -0.03 0.00 0.15 0.00 0.00 42.46 40.20 3ab4 s ILE 132 CO 0.03 0.49 -0.19 0.54 -2.11 0.00 0.00 174.94 173.71 3ab4 s VAL 133 N 0.97 1.52 -0.03 4.00 0.11 -0.88 0.64 120.40 126.73 3ab4 s VAL 133 Ca -0.02 -1.19 0.01 0.00 -2.93 0.00 0.00 61.98 57.85 3ab4 s VAL 133 Cb -0.15 -1.34 0.02 0.00 -1.53 0.00 0.00 36.38 33.38 3ab4 s VAL 133 CO -0.02 0.11 -0.02 0.00 -3.33 0.00 0.00 175.10 171.85 3ab4 s ALA 134 N -0.87 0.43 0.23 1.54 0.00 -1.01 -4.27 121.76 117.82 3ab4 s ALA 134 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3ab4 s ALA 134 Cb -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.73 3ab4 s ALA 134 CO 0.02 -0.02 0.00 -2.13 0.00 0.00 0.00 175.76 173.63 3ab4 n ARG 151 N 3.88 -2.07 -2.82 0.00 0.63 -1.26 -4.89 116.66 110.13 3ab4 n ARG 151 Ca -0.24 1.54 -0.42 0.00 -0.92 0.00 0.00 57.85 57.81 3ab4 n ARG 151 Cb 0.52 -1.73 -0.04 0.00 0.45 0.00 0.00 32.46 31.66 3ab4 n ARG 151 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3ab4 s GLY 152 N -2.53 1.67 1.20 5.14 0.00 -1.26 -5.04 107.32 106.50 3ab4 s GLY 152 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 44.72 44.34 3ab4 s GLY 152 CO 0.00 1.95 1.05 -0.32 0.00 0.00 0.00 173.10 175.78 3ab4 s GLY 153 N 1.54 1.53 0.27 0.20 0.00 -1.26 -4.61 107.32 104.99 3ab4 s GLY 153 Ca 0.38 -0.62 -0.00 0.00 0.00 0.00 0.00 44.72 44.47 3ab4 s GLY 153 CO 0.12 0.20 1.77 1.76 0.00 0.00 0.00 173.10 176.95 3ab4 h SER 154 N -2.64 0.59 -0.10 1.64 0.02 -1.96 -0.84 113.55 110.26 3ab4 h SER 154 Ca -0.51 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 60.55 3ab4 h SER 154 Cb 1.32 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 3ab4 h SER 154 CO 0.42 0.26 -0.06 0.44 -1.14 0.00 0.00 176.83 176.75 3ab4 h ASP 155 N 0.67 -0.18 -0.44 3.07 3.32 -1.97 0.72 116.42 121.62 3ab4 h ASP 155 Ca 0.47 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.44 3ab4 h ASP 155 Cb 0.65 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3ab4 h ASP 155 CO -0.35 -0.08 -0.22 0.71 -1.72 0.00 0.00 179.24 177.58 3ab4 h THR 156 N -0.05 1.27 -0.24 0.35 1.35 -1.70 -2.35 112.91 111.53 3ab4 h THR 156 Ca 0.06 -1.38 -0.08 0.00 -0.55 0.00 0.00 66.41 64.46 3ab4 h THR 156 Cb 0.14 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 3ab4 h THR 156 CO -0.13 0.47 -0.21 0.00 -0.25 0.00 0.00 175.52 175.40 3ab4 h THR 157 N 0.82 1.25 0.03 6.82 1.03 -0.94 -0.68 112.91 121.23 3ab4 h THR 157 Ca 0.11 -1.15 -0.00 0.00 -0.01 0.00 0.00 66.41 65.36 3ab4 h THR 157 Cb 0.79 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 69.16 3ab4 h THR 157 CO 0.07 0.37 -0.01 0.00 -0.01 0.00 0.00 175.52 175.93 3ab4 h ALA 158 N 1.39 -0.04 -0.49 0.00 0.00 -0.67 -1.62 119.26 117.82 3ab4 h ALA 158 Ca 0.07 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3ab4 h ALA 158 Cb 0.59 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3ab4 h ALA 158 CO 0.04 -0.50 -0.09 0.28 0.00 0.00 0.00 179.25 178.98 3ab4 h VAL 159 N -0.09 1.26 -0.35 0.00 2.07 -1.28 -0.05 116.25 117.82 3ab4 h VAL 159 Ca -0.00 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.33 3ab4 h VAL 159 Cb 0.08 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3ab4 h VAL 159 CO 0.01 0.42 0.23 0.00 0.02 0.00 0.00 177.57 178.25 3ab4 h ALA 160 N 1.08 1.79 -0.07 1.67 0.00 -1.07 -0.18 119.26 122.47 3ab4 h ALA 160 Ca 0.13 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3ab4 h ALA 160 Cb 0.61 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ab4 h ALA 160 CO 0.04 0.18 -0.44 -0.07 0.00 0.00 0.00 179.25 178.97 3ab4 h LEU 161 N 0.44 0.51 -0.97 0.00 -0.00 -0.75 -1.94 115.31 112.60 3ab4 h LEU 161 Ca 0.13 -0.66 0.17 0.00 -0.00 0.00 0.00 57.88 57.52 3ab4 h LEU 161 Cb -0.00 -0.15 -0.10 0.00 -0.00 0.00 0.00 40.66 40.41 3ab4 h LEU 161 CO -0.03 1.09 0.57 0.00 -0.00 0.00 0.00 178.44 180.08 3ab4 h ALA 162 N 0.43 1.55 0.55 1.53 0.00 -0.54 -2.05 119.26 120.73 3ab4 h ALA 162 Ca -0.03 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ab4 h ALA 162 Cb 1.10 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.81 3ab4 h ALA 162 CO 0.09 -0.02 -0.26 0.00 0.00 0.00 0.00 179.25 179.06 3ab4 h ALA 163 N 1.61 -0.78 -0.05 0.00 0.00 -1.01 -1.29 119.26 117.74 3ab4 h ALA 163 Ca 0.54 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.30 3ab4 h ALA 163 Cb 0.78 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3ab4 h ALA 163 CO -0.36 -0.73 0.15 0.00 0.00 0.00 0.00 179.25 178.31 3ab4 h ALA 164 N -1.27 1.33 -3.14 0.00 0.00 -1.23 -3.10 119.26 111.85 3ab4 h ALA 164 Ca -0.08 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.21 3ab4 h ALA 164 Cb 0.56 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.95 3ab4 h ALA 164 CO 0.12 -0.18 -0.65 -0.51 0.00 0.00 0.00 179.25 178.03 3ab4 s LEU 165 N -6.47 3.99 -0.20 0.00 1.02 -0.78 -4.94 118.68 111.31 3ab4 s LEU 165 Ca -0.04 -3.24 -0.02 0.00 0.02 0.00 0.00 54.13 50.85 3ab4 s LEU 165 Cb 0.12 -1.44 -0.07 0.00 0.02 0.00 0.00 46.19 44.82 3ab4 s LEU 165 CO 0.41 -0.18 0.56 -3.20 0.02 0.00 0.00 176.35 173.96 3ab4 n ASN 166 N 2.77 -0.57 -4.84 2.29 5.15 -1.17 -4.69 115.26 114.21 3ab4 n ASN 166 Ca 0.12 -0.30 -0.35 0.00 -0.60 0.00 0.00 54.58 53.45 3ab4 n ASN 166 Cb 0.35 -0.19 -0.06 0.00 -0.53 0.00 0.00 39.78 39.35 3ab4 n ASN 166 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ab4 s ALA 167 N 0.00 3.50 0.01 5.20 0.00 -0.49 -4.85 121.76 125.13 3ab4 s ALA 167 Ca 0.26 -0.05 0.10 0.00 0.00 0.00 0.00 51.96 52.27 3ab4 s ALA 167 Cb -0.17 -2.62 -0.11 0.00 0.00 0.00 0.00 23.12 20.22 3ab4 s ALA 167 CO 0.11 0.41 1.30 -0.44 0.00 0.00 0.00 175.76 177.14 3ab4 h ASP 168 N 3.26 0.00 -4.90 0.00 3.32 -1.23 -3.47 116.42 113.40 3ab4 h ASP 168 Ca -0.48 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.58 3ab4 h ASP 168 Cb 1.19 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.60 3ab4 h ASP 168 CO 0.66 0.82 0.28 0.68 -1.72 0.00 0.00 179.24 179.95 3ab4 s VAL 169 N -2.80 0.00 -0.28 -1.35 -7.23 -1.24 -4.73 120.40 102.78 3ab4 s VAL 169 Ca 0.02 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.19 3ab4 s VAL 169 Cb 0.09 -1.00 0.08 0.00 0.56 0.00 0.00 36.38 36.11 3ab4 s VAL 169 CO 0.79 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 175.61 3ab4 s GLU 171 N 1.41 4.45 -0.26 0.00 2.02 0.44 -2.11 118.70 124.65 3ab4 s GLU 171 Ca 0.03 0.99 -0.06 0.00 0.02 0.00 0.00 54.97 55.95 3ab4 s GLU 171 Cb -0.18 -3.46 -0.01 0.00 0.10 0.00 0.00 34.13 30.58 3ab4 s GLU 171 CO -0.13 0.02 0.04 0.42 0.02 0.00 0.00 175.26 175.63 3ab4 s ILE 172 N 0.92 3.87 -0.11 -1.63 1.09 0.50 -0.57 121.20 125.26 3ab4 s ILE 172 Ca 0.40 -0.48 -0.04 0.00 -1.10 0.00 0.00 60.65 59.43 3ab4 s ILE 172 Cb -0.18 -2.87 -0.04 0.00 -1.06 0.00 0.00 42.46 38.31 3ab4 s ILE 172 CO 0.20 0.27 0.06 -0.31 -0.10 0.00 0.00 174.94 175.06 3ab4 s TYR 173 N 1.53 3.34 0.00 3.97 2.02 0.44 -0.48 117.35 128.15 3ab4 s TYR 173 Ca 0.05 0.31 0.00 0.00 -0.37 0.00 0.00 57.07 57.06 3ab4 s TYR 173 Cb -0.16 -1.87 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 3ab4 s TYR 173 CO 0.01 0.54 0.00 -1.13 -1.57 0.00 0.00 175.55 173.40 3ab4 n SER 174 N 2.21 0.00 -1.08 2.29 3.41 -0.96 -2.71 113.62 116.77 3ab4 n SER 174 Ca -0.19 -0.31 -0.01 0.00 -0.26 0.00 0.00 58.87 58.10 3ab4 n SER 174 Cb 0.54 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.60 3ab4 n SER 174 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ab4 n ASP 175 N -0.46 2.74 -4.09 4.04 5.75 -1.26 -1.28 116.55 121.99 3ab4 n ASP 175 Ca 0.00 -2.36 -0.15 0.00 -0.01 0.00 0.00 54.79 52.27 3ab4 n ASP 175 Cb 0.00 -0.58 -0.12 0.00 -1.03 0.00 0.00 41.12 39.40 3ab4 n ASP 175 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3ab4 s VAL 176 N -1.41 0.71 0.27 2.12 -7.23 -1.26 -4.97 120.40 108.62 3ab4 s VAL 176 Ca 0.18 -1.13 0.16 0.00 -1.81 0.00 0.00 61.98 59.38 3ab4 s VAL 176 Cb 0.14 -0.74 0.09 0.00 0.56 0.00 0.00 36.38 36.43 3ab4 s VAL 176 CO 0.05 -0.32 1.75 0.44 -0.31 0.00 0.00 175.10 176.70 3ab4 h ASP 177 N 4.47 0.00 0.00 4.85 5.19 -1.88 -2.65 116.42 126.40 3ab4 h ASP 177 Ca -0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 3ab4 h ASP 177 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 3ab4 h ASP 177 CO 0.41 0.42 0.00 0.61 -3.12 0.00 0.00 179.24 177.56 3ab4 n GLY 178 N -0.00 -0.64 3.85 2.75 0.00 -1.26 -3.93 105.19 105.97 3ab4 n GLY 178 Ca -0.01 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 3ab4 n GLY 178 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ab4 s VAL 179 N -3.48 5.26 0.18 1.61 -7.23 -1.26 -4.95 120.40 110.52 3ab4 s VAL 179 Ca 0.00 0.54 0.10 0.00 -1.81 0.00 0.00 61.98 60.82 3ab4 s VAL 179 Cb 0.00 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 3ab4 s VAL 179 CO 0.00 0.59 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.89 3ab4 s TYR 180 N -1.02 2.44 0.40 2.82 2.02 -1.26 -0.78 117.35 121.96 3ab4 s TYR 180 Ca 0.20 -0.30 0.15 0.00 -0.37 0.00 0.00 57.07 56.74 3ab4 s TYR 180 Cb -0.14 -1.21 1.00 0.00 -0.40 0.00 0.00 41.96 41.20 3ab4 s TYR 180 CO 0.09 0.49 1.86 1.79 -1.57 0.00 0.00 175.55 178.21 3ab4 h THR 181 N 3.09 0.73 -2.00 -0.71 1.35 -1.10 -3.43 112.91 110.84 3ab4 h THR 181 Ca -0.47 -0.17 -0.06 0.00 -0.55 0.00 0.00 66.41 65.16 3ab4 h THR 181 Cb 1.20 0.19 -0.19 0.00 -1.73 0.00 0.00 68.15 67.62 3ab4 h THR 181 CO 0.50 0.09 0.19 0.00 -0.25 0.00 0.00 175.52 176.05 3ab4 s ALA 182 N -5.51 -1.77 -0.36 6.62 0.00 -1.26 0.23 121.76 119.71 3ab4 s ALA 182 Ca -0.09 1.35 -0.34 0.00 0.00 0.00 0.00 51.96 52.88 3ab4 s ALA 182 Cb 0.23 -0.05 -0.11 0.00 0.00 0.00 0.00 23.12 23.18 3ab4 s ALA 182 CO 0.78 -0.37 2.21 -3.47 0.00 0.00 0.00 175.76 174.92 3ab4 n ASP 183 N 0.98 2.17 0.14 0.00 4.64 -1.26 -4.62 116.55 118.60 3ab4 n ASP 183 Ca -0.19 0.36 0.12 0.00 -1.38 0.00 0.00 54.79 53.70 3ab4 n ASP 183 Cb 0.57 -1.29 0.50 0.00 -1.04 0.00 0.00 41.12 39.86 3ab4 n ASP 183 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3ab4 n PRO 184 N 8.28 0.21 -0.06 -0.67 -0.04 -1.26 -1.97 135.00 139.49 3ab4 n PRO 184 Ca 0.41 0.42 0.08 0.00 -0.04 0.00 0.00 63.50 64.37 3ab4 n PRO 184 Cb 0.25 -1.89 0.46 0.00 -0.04 0.00 0.00 33.50 32.28 3ab4 n PRO 184 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ab4 h ARG 185 N 0.00 0.49 0.00 0.54 3.08 -1.97 -3.30 114.38 113.22 3ab4 h ARG 185 Ca 0.00 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.81 3ab4 h ARG 185 Cb 0.39 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3ab4 h ARG 185 CO 0.00 0.32 -1.51 -0.89 -1.07 0.00 0.00 179.97 176.83 3ab4 n ILE 186 N -4.47 1.50 -3.13 2.04 -0.00 -0.83 -4.93 119.36 109.54 3ab4 n ILE 186 Ca 0.07 -0.06 -0.42 0.00 -0.00 0.00 0.00 62.75 62.34 3ab4 n ILE 186 Cb 0.23 -2.13 -0.07 0.00 -0.00 0.00 0.00 39.64 37.67 3ab4 n ILE 186 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3ab4 s VAL 187 N -2.54 4.89 0.10 1.39 1.01 -0.91 -4.97 120.40 119.38 3ab4 s VAL 187 Ca -0.30 0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 3ab4 s VAL 187 Cb 0.08 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 3ab4 s VAL 187 CO 0.45 -0.40 1.52 -0.65 0.00 0.00 0.00 175.10 176.01 3ab4 h PRO 188 N 8.61 0.58 -0.03 2.72 0.11 -1.90 -2.65 132.00 139.44 3ab4 h PRO 188 Ca -0.26 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ab4 h PRO 188 Cb 1.11 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ab4 h PRO 188 CO 0.85 0.74 0.00 0.27 -0.21 0.00 0.00 178.00 179.65 3ab4 n ASN 189 N -4.51 0.03 -4.66 -2.05 6.94 -1.26 -4.87 115.26 104.88 3ab4 n ASN 189 Ca -0.03 -1.10 -0.37 0.00 -0.02 0.00 0.00 54.58 53.06 3ab4 n ASN 189 Cb 0.30 -0.01 0.07 0.00 -2.36 0.00 0.00 39.78 37.77 3ab4 n ASN 189 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ab4 n ALA 190 N -0.46 0.50 -3.09 -2.53 0.00 -1.00 -5.02 120.51 108.90 3ab4 n ALA 190 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 3ab4 n ALA 190 Cb 0.01 -2.20 -0.11 0.00 0.00 0.00 0.00 19.45 17.15 3ab4 n ALA 190 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ab4 s GLN 191 N -3.11 0.30 -0.06 0.00 0.74 -1.26 -4.99 119.66 111.28 3ab4 s GLN 191 Ca 0.79 0.14 -0.30 0.00 0.05 0.00 0.00 55.36 56.04 3ab4 s GLN 191 Cb -0.39 0.14 -0.02 0.00 1.10 0.00 0.00 33.01 33.84 3ab4 s GLN 191 CO 0.44 -0.05 1.05 0.21 -0.55 0.00 0.00 175.29 176.39 3ab4 s LYS 192 N -0.22 4.44 0.75 1.67 2.20 -1.26 -0.55 119.74 126.77 3ab4 s LYS 192 Ca -0.03 1.48 -0.12 0.00 -0.36 0.00 0.00 55.97 56.93 3ab4 s LYS 192 Cb -0.03 -3.51 0.05 0.00 -1.51 0.00 0.00 37.83 32.83 3ab4 s LYS 192 CO 0.01 -0.27 1.12 -0.51 -0.36 0.00 0.00 175.35 175.33 3ab4 s LEU 193 N 1.74 3.14 -0.22 5.43 1.02 0.04 -4.92 118.68 124.90 3ab4 s LEU 193 Ca 0.51 1.98 0.07 0.00 0.02 0.00 0.00 54.13 56.72 3ab4 s LEU 193 Cb -0.21 -4.54 -0.19 0.00 0.02 0.00 0.00 46.19 41.27 3ab4 s LEU 193 CO 0.22 -2.09 -0.11 1.21 0.02 0.00 0.00 176.35 175.60 3ab4 n GLU 194 N -3.20 0.71 -3.53 1.70 2.13 -1.26 -4.48 120.64 112.71 3ab4 n GLU 194 Ca 0.10 0.09 -0.17 0.00 0.66 0.00 0.00 57.16 57.84 3ab4 n GLU 194 Cb 0.52 -1.49 -0.06 0.00 0.27 0.00 0.00 31.44 30.68 3ab4 n GLU 194 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3ab4 s LYS 195 N -2.48 1.05 0.17 5.31 2.20 -1.26 -1.12 119.74 123.61 3ab4 s LYS 195 Ca -0.24 0.17 -0.24 0.00 -0.36 0.00 0.00 55.97 55.30 3ab4 s LYS 195 Cb 0.07 0.49 0.06 0.00 -1.51 0.00 0.00 37.83 36.94 3ab4 s LYS 195 CO 0.64 -0.34 0.78 -0.48 -0.36 0.00 0.00 175.35 175.60 3ab4 s LEU 196 N -1.32 -0.33 0.63 5.43 2.34 -0.68 -4.93 118.68 119.81 3ab4 s LEU 196 Ca -0.10 -0.32 -0.10 0.00 0.06 0.00 0.00 54.13 53.67 3ab4 s LEU 196 Cb -0.00 2.44 -0.02 0.00 -0.56 0.00 0.00 46.19 48.04 3ab4 s LEU 196 CO 0.08 -1.03 1.02 -0.94 -1.06 0.00 0.00 176.35 174.42 3ab4 s SER 197 N -2.82 6.00 0.25 1.48 1.04 -1.26 0.31 113.70 118.71 3ab4 s SER 197 Ca 0.08 1.26 -0.03 0.00 0.48 0.00 0.00 55.95 57.75 3ab4 s SER 197 Cb -0.03 -2.27 0.50 0.00 0.10 0.00 0.00 66.02 64.32 3ab4 s SER 197 CO -0.01 -0.97 1.74 -0.26 0.98 0.00 0.00 173.24 174.72 3ab4 h PHE 198 N -0.34 0.62 0.00 5.02 0.04 -1.61 -2.48 116.94 118.19 3ab4 h PHE 198 Ca -0.45 0.04 -0.19 0.00 2.80 0.00 0.00 57.97 60.17 3ab4 h PHE 198 Cb 1.21 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 39.17 3ab4 h PHE 198 CO 0.60 0.11 -1.18 1.05 -0.60 0.00 0.00 178.31 178.29 3ab4 h GLU 199 N 0.52 0.00 -0.90 1.51 9.09 -1.93 -2.00 114.58 120.87 3ab4 h GLU 199 Ca 0.44 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.87 3ab4 h GLU 199 Cb 0.65 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.70 3ab4 h GLU 199 CO -0.39 0.54 0.59 0.93 0.05 0.00 0.00 179.01 180.73 3ab4 h GLU 200 N 0.00 1.15 -0.36 1.06 5.08 -1.90 -1.30 114.58 118.32 3ab4 h GLU 200 Ca -0.12 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 3ab4 h GLU 200 Cb 1.68 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 3ab4 h GLU 200 CO 0.08 0.76 -0.40 1.98 -1.00 0.00 0.00 179.01 180.43 3ab4 h MET 201 N 1.19 0.88 -0.68 2.33 4.05 -1.41 -2.75 114.93 118.54 3ab4 h MET 201 Ca 0.34 -0.47 0.12 0.00 -0.28 0.00 0.00 59.70 59.41 3ab4 h MET 201 Cb -0.09 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 30.64 3ab4 h MET 201 CO -0.09 1.11 0.26 -0.07 0.23 0.00 0.00 176.91 178.36 3ab4 h LEU 202 N 0.71 0.24 0.26 3.39 -0.00 -1.09 -0.44 115.31 118.38 3ab4 h LEU 202 Ca 0.06 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 3ab4 h LEU 202 Cb 0.98 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 3ab4 h LEU 202 CO 0.09 0.12 -0.12 -0.08 -0.00 0.00 0.00 178.44 178.45 3ab4 h GLU 203 N 0.43 -0.33 -0.51 1.13 4.57 -0.98 0.11 114.58 119.00 3ab4 h GLU 203 Ca 0.36 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.60 3ab4 h GLU 203 Cb 0.50 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.12 3ab4 h GLU 203 CO -0.36 -0.10 0.28 -0.07 -1.18 0.00 0.00 179.01 177.58 3ab4 h LEU 204 N -0.52 0.42 -1.49 1.64 3.38 -1.45 -2.36 115.31 114.92 3ab4 h LEU 204 Ca -0.04 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3ab4 h LEU 204 Cb 0.39 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3ab4 h LEU 204 CO 0.06 0.29 0.43 0.00 0.09 0.00 0.00 178.44 179.30 3ab4 h ALA 205 N 1.26 1.82 0.00 1.53 0.00 -0.66 0.15 119.26 123.35 3ab4 h ALA 205 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ab4 h ALA 205 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ab4 h ALA 205 CO -0.13 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.18 3ab4 h ALA 206 N 1.66 1.00 0.00 0.00 0.00 -0.25 -3.36 119.26 118.31 3ab4 h ALA 206 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ab4 h ALA 206 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ab4 h ALA 206 CO -0.09 0.00 -0.61 0.28 0.00 0.00 0.00 179.25 178.83 3ab4 n VAL 207 N -2.81 0.00 0.00 0.00 0.31 -0.31 -5.03 118.33 110.50 3ab4 n VAL 207 Ca 0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3ab4 n VAL 207 Cb 0.33 0.69 0.00 0.00 -0.91 0.00 0.00 33.84 33.95 3ab4 n VAL 207 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ab4 n GLY 208 N 1.91 -0.27 3.63 2.92 0.00 0.36 -4.44 105.19 109.31 3ab4 n GLY 208 Ca 0.00 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3ab4 n GLY 208 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ab4 s SER 209 N -2.00 6.06 -0.42 1.61 0.15 -0.84 -4.84 113.70 113.42 3ab4 s SER 209 Ca 0.00 2.26 0.05 0.00 0.70 0.00 0.00 55.95 58.96 3ab4 s SER 209 Cb 0.00 -2.52 0.64 0.00 -1.71 0.00 0.00 66.02 62.43 3ab4 s SER 209 CO 0.00 -1.42 1.83 1.17 1.20 0.00 0.00 173.24 176.02 3ab4 n LYS 210 N 8.01 2.22 -0.04 5.44 3.00 -1.26 -4.22 118.16 131.31 3ab4 n LYS 210 Ca 0.24 -3.05 -0.14 0.00 -0.00 0.00 0.00 58.31 55.35 3ab4 n LYS 210 Cb 0.43 -2.11 -0.08 0.00 0.00 0.00 0.00 35.03 33.26 3ab4 n LYS 210 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 3ab4 h ILE 211 N 1.06 1.39 -1.62 3.15 2.04 -1.96 -3.45 117.51 118.12 3ab4 h ILE 211 Ca 0.55 -1.60 -0.57 0.00 1.00 0.00 0.00 64.86 64.24 3ab4 h ILE 211 Cb 2.63 2.15 -0.08 0.00 -0.74 0.00 0.00 36.82 40.77 3ab4 h ILE 211 CO 0.96 0.47 -0.50 -0.76 0.00 0.00 0.00 178.15 178.31 3ab4 s LEU 212 N -8.82 3.12 -0.16 1.44 2.01 -1.26 -5.07 118.68 109.94 3ab4 s LEU 212 Ca -0.14 -1.06 -0.09 0.00 0.01 0.00 0.00 54.13 52.85 3ab4 s LEU 212 Cb 0.05 -1.45 -0.05 0.00 0.01 0.00 0.00 46.19 44.75 3ab4 s LEU 212 CO 0.78 -0.52 0.14 -0.69 1.01 0.00 0.00 176.35 177.06 3ab4 s VAL 213 N -2.59 5.45 0.14 -1.59 1.01 -1.26 -5.02 120.40 116.53 3ab4 s VAL 213 Ca 0.41 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.42 3ab4 s VAL 213 Cb 0.03 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 3ab4 s VAL 213 CO 0.22 0.53 1.72 -0.07 0.00 0.00 0.00 175.10 177.50 3ab4 h LEU 214 N 5.81 -0.09 -0.93 3.92 3.38 -1.96 -0.76 115.31 124.68 3ab4 h LEU 214 Ca -0.48 0.05 0.21 0.00 0.09 0.00 0.00 57.88 57.76 3ab4 h LEU 214 Cb 1.19 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.92 3ab4 h LEU 214 CO 0.67 -0.02 0.47 -0.09 0.09 0.00 0.00 178.44 179.56 3ab4 h ARG 215 N 0.08 0.49 -0.02 1.13 2.43 -1.99 -0.18 114.38 116.31 3ab4 h ARG 215 Ca 0.12 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.08 3ab4 h ARG 215 Cb 0.15 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3ab4 h ARG 215 CO -0.19 0.33 -0.77 0.66 -1.51 0.00 0.00 179.97 178.48 3ab4 h SER 216 N 0.51 0.24 0.40 -3.80 4.64 -1.50 -1.96 113.55 112.08 3ab4 h SER 216 Ca 0.57 -0.17 -0.19 0.00 -0.47 0.00 0.00 61.79 61.53 3ab4 h SER 216 Cb 1.04 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 3ab4 h SER 216 CO -0.48 0.92 -0.80 0.58 -0.87 0.00 0.00 176.83 176.18 3ab4 h VAL 217 N 0.13 1.42 0.00 0.95 2.07 -0.82 -2.17 116.25 117.83 3ab4 h VAL 217 Ca -0.03 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.15 3ab4 h VAL 217 Cb 1.35 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 33.39 3ab4 h VAL 217 CO 0.12 0.69 -0.00 -0.33 0.02 0.00 0.00 177.57 178.06 3ab4 h GLU 218 N 0.19 -0.01 -0.69 1.57 3.07 -0.97 -0.76 114.58 116.98 3ab4 h GLU 218 Ca -0.04 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.83 3ab4 h GLU 218 Cb 1.39 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.27 3ab4 h GLU 218 CO 0.13 -0.01 0.46 1.88 -1.40 0.00 0.00 179.01 180.07 3ab4 h TYR 219 N -0.01 0.87 -0.36 4.33 0.99 -1.37 0.15 116.97 121.57 3ab4 h TYR 219 Ca 0.00 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.76 3ab4 h TYR 219 Cb 0.01 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 37.42 3ab4 h TYR 219 CO -0.08 0.55 0.22 0.00 -0.00 0.00 0.00 178.16 178.85 3ab4 h ALA 220 N 1.57 0.46 -0.41 3.88 0.00 -1.04 -1.83 119.26 121.88 3ab4 h ALA 220 Ca 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3ab4 h ALA 220 Cb -0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ab4 h ALA 220 CO -0.06 -0.12 0.26 -0.09 0.00 0.00 0.00 179.25 179.24 3ab4 h ARG 221 N 0.45 0.51 -0.16 0.00 2.43 -0.24 0.01 114.38 117.37 3ab4 h ARG 221 Ca 0.14 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3ab4 h ARG 221 Cb -0.01 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 3ab4 h ARG 221 CO -0.06 0.34 -0.08 0.00 -1.51 0.00 0.00 179.97 178.66 3ab4 h ALA 222 N 1.17 0.06 -0.72 2.80 0.00 -0.26 -2.83 119.26 119.47 3ab4 h ALA 222 Ca 0.16 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ab4 h ALA 222 Cb -0.03 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ab4 h ALA 222 CO -0.05 -0.52 0.00 1.19 0.00 0.00 0.00 179.25 179.87 3ab4 n PHE 223 N -5.22 1.09 -3.74 0.00 3.01 -0.73 -4.97 117.46 106.89 3ab4 n PHE 223 Ca -0.03 -0.52 -0.24 0.00 1.01 0.00 0.00 57.45 57.67 3ab4 n PHE 223 Cb 0.15 -0.05 0.02 0.00 -0.01 0.00 0.00 39.48 39.59 3ab4 n PHE 223 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3ab4 n ASN 224 N 1.56 -1.85 -4.37 4.37 4.05 -0.30 -4.96 115.26 113.76 3ab4 n ASN 224 Ca 0.25 -0.90 -0.45 0.00 0.45 0.00 0.00 54.58 53.94 3ab4 n ASN 224 Cb 0.68 -3.74 -0.07 0.00 1.23 0.00 0.00 39.78 37.88 3ab4 n ASN 224 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3ab4 s VAL 225 N -3.70 5.17 0.08 3.44 1.01 -0.17 -5.04 120.40 121.19 3ab4 s VAL 225 Ca 0.10 -1.11 -0.31 0.00 0.00 0.00 0.00 61.98 60.66 3ab4 s VAL 225 Cb -0.03 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 3ab4 s VAL 225 CO 0.84 -0.71 1.54 -2.16 0.00 0.00 0.00 175.10 174.60 3ab4 s PRO 226 N 1.79 4.24 -0.02 2.72 0.04 -1.26 -4.78 135.00 137.73 3ab4 s PRO 226 Ca 0.05 2.21 -0.02 0.00 0.04 0.00 0.00 61.00 63.28 3ab4 s PRO 226 Cb -0.25 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 3ab4 s PRO 226 CO 0.06 -0.62 0.14 -0.51 0.04 0.00 0.00 177.00 176.11 3ab4 s LEU 227 N 2.06 4.20 -0.22 -3.56 1.43 -1.25 -2.06 118.68 119.28 3ab4 s LEU 227 Ca 0.69 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 3ab4 s LEU 227 Cb -0.38 -2.43 0.05 0.00 0.03 0.00 0.00 46.19 43.47 3ab4 s LEU 227 CO 0.30 0.28 -0.07 -0.60 0.23 0.00 0.00 176.35 176.49 3ab4 s ARG 228 N -1.75 1.81 -0.36 1.70 3.52 -0.90 -0.40 118.95 122.57 3ab4 s ARG 228 Ca 0.24 -0.96 -0.27 0.00 -0.13 0.00 0.00 55.73 54.62 3ab4 s ARG 228 Cb -0.12 -2.54 0.01 0.00 -1.56 0.00 0.00 34.95 30.74 3ab4 s ARG 228 CO 0.15 -0.53 0.96 0.08 -0.81 0.00 0.00 175.30 175.15 3ab4 s VAL 229 N 1.38 4.57 0.28 7.11 1.01 -0.38 -0.37 120.40 133.99 3ab4 s VAL 229 Ca -0.04 1.32 0.07 0.00 0.00 0.00 0.00 61.98 63.33 3ab4 s VAL 229 Cb -0.18 -4.35 -0.06 0.00 0.00 0.00 0.00 36.38 31.79 3ab4 s VAL 229 CO -0.07 -0.52 -0.07 -0.13 0.00 0.00 0.00 175.10 174.31 3ab4 s ARG 230 N 3.52 1.55 0.01 2.72 0.52 0.37 -1.52 118.95 126.12 3ab4 s ARG 230 Ca 0.40 -1.78 -0.17 0.00 -0.52 0.00 0.00 55.73 53.66 3ab4 s ARG 230 Cb -0.12 -1.18 -0.06 0.00 0.52 0.00 0.00 34.95 34.11 3ab4 s ARG 230 CO 0.18 0.05 0.47 0.45 0.02 0.00 0.00 175.30 176.47 3ab4 s SER 231 N -3.44 6.89 0.00 0.23 0.15 -1.00 -2.27 113.70 114.25 3ab4 s SER 231 Ca 0.29 1.05 0.10 0.00 0.70 0.00 0.00 55.95 58.09 3ab4 s SER 231 Cb 0.03 -2.29 0.30 0.00 -1.71 0.00 0.00 66.02 62.35 3ab4 s SER 231 CO 0.12 0.28 1.24 -1.54 1.20 0.00 0.00 173.24 174.54 3ab4 n SER 232 N 1.95 1.55 -0.06 5.45 3.41 -0.40 -4.10 113.62 121.43 3ab4 n SER 232 Ca -0.12 -1.97 0.02 0.00 -0.26 0.00 0.00 58.87 56.53 3ab4 n SER 232 Cb 0.52 -0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3ab4 n SER 232 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3ab4 n TYR 233 N 0.34 0.00 -3.91 7.33 4.01 -1.26 -4.89 117.16 118.78 3ab4 n TYR 233 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.73 3ab4 n TYR 233 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 3ab4 n TYR 233 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3ab4 s SER 234 N -0.88 0.39 0.00 7.72 1.04 -1.26 -5.09 113.70 115.62 3ab4 s SER 234 Ca 0.02 -1.31 0.18 0.00 0.48 0.00 0.00 55.95 55.32 3ab4 s SER 234 Cb 0.03 0.79 0.27 0.00 0.10 0.00 0.00 66.02 67.21 3ab4 s SER 234 CO 0.09 -1.57 1.19 0.59 0.98 0.00 0.00 173.24 174.53 3ab4 n ASN 235 N -1.49 2.86 -4.79 7.02 4.13 -1.26 -4.69 115.26 117.05 3ab4 n ASN 235 Ca -0.05 -1.84 -0.33 0.00 1.68 0.00 0.00 54.58 54.04 3ab4 n ASN 235 Cb 0.60 -0.13 0.02 0.00 -1.54 0.00 0.00 39.78 38.73 3ab4 n ASN 235 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 3ab4 s ASP 236 N -1.33 5.53 0.22 6.41 -4.77 -1.26 -4.90 116.67 116.57 3ab4 s ASP 236 Ca 0.27 1.95 0.23 0.00 -3.30 0.00 0.00 52.55 51.70 3ab4 s ASP 236 Cb 0.17 -2.55 0.93 0.00 -1.09 0.00 0.00 42.92 40.38 3ab4 s ASP 236 CO 0.24 -1.34 1.69 -2.65 0.70 0.00 0.00 175.17 173.80 3ab4 n PRO 237 N -2.03 0.18 -0.04 2.11 -0.02 -1.26 -4.69 135.00 129.25 3ab4 n PRO 237 Ca 0.10 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3ab4 n PRO 237 Cb 0.52 -1.82 -0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3ab4 n PRO 237 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ab4 n GLY 238 N 0.09 -2.09 3.75 -1.23 0.00 -1.26 -4.81 105.19 99.65 3ab4 n GLY 238 Ca 0.03 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 3ab4 n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ab4 s THR 239 N -0.35 5.19 0.13 2.61 2.01 -0.58 -4.86 115.64 119.79 3ab4 s THR 239 Ca 0.00 0.80 -0.17 0.00 0.31 0.00 0.00 61.69 62.63 3ab4 s THR 239 Cb 0.00 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 3ab4 s THR 239 CO 0.00 0.41 0.58 -0.22 -0.69 0.00 0.00 174.62 174.70 3ab4 s LEU 240 N 0.15 4.41 -0.49 4.42 2.96 -0.28 -1.24 118.68 128.60 3ab4 s LEU 240 Ca 0.23 1.20 -0.10 0.00 -0.22 0.00 0.00 54.13 55.23 3ab4 s LEU 240 Cb -0.15 -3.19 0.12 0.00 0.50 0.00 0.00 46.19 43.48 3ab4 s LEU 240 CO 0.09 0.15 0.37 -0.63 -1.32 0.00 0.00 176.35 175.02 3ab4 s ILE 241 N -1.35 4.35 0.00 6.68 -1.09 0.46 -1.69 121.20 128.57 3ab4 s ILE 241 Ca 0.35 -1.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.00 3ab4 s ILE 241 Cb -0.17 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 3ab4 s ILE 241 CO 0.19 -0.79 0.00 0.00 -1.23 0.00 0.00 174.94 173.11 3ab4 n ALA 242 N 4.92 0.00 -1.13 9.38 0.00 0.93 -3.86 120.51 130.75 3ab4 n ALA 242 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 3ab4 n ALA 242 Cb 0.41 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.90 3ab4 n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ab4 n GLY 243 N 0.84 -1.64 3.75 0.00 0.00 -1.26 -3.59 105.19 103.29 3ab4 n GLY 243 Ca 0.00 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 3ab4 n GLY 243 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ab4 s SER 244 N -2.01 3.91 0.21 1.61 1.04 -1.26 -3.39 113.70 113.80 3ab4 s SER 244 Ca 0.15 1.41 0.24 0.00 0.48 0.00 0.00 55.95 58.23 3ab4 s SER 244 Cb -0.01 -2.12 0.40 0.00 0.10 0.00 0.00 66.02 64.40 3ab4 s SER 244 CO 0.11 -2.35 1.43 0.00 0.98 0.00 0.00 173.24 173.40 3ab4 h MET 245 N -1.35 0.00 -0.86 4.02 -0.00 -1.95 -3.16 114.93 111.62 3ab4 h MET 245 Ca -0.48 0.00 0.09 0.00 -0.00 0.00 0.00 59.70 59.31 3ab4 h MET 245 Cb 1.28 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.82 3ab4 h MET 245 CO 0.56 0.00 0.56 0.93 -0.00 0.00 0.00 176.91 178.96 3ab4 h GLU 246 N 0.00 0.84 -0.00 -0.10 4.39 -2.03 -1.59 114.58 116.09 3ab4 h GLU 246 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3ab4 h GLU 246 Cb 0.83 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3ab4 h GLU 246 CO 0.00 0.56 -0.02 -0.25 -1.16 0.00 0.00 179.01 178.14 3ab4 n ASP 247 N -4.52 0.02 -4.72 1.42 9.92 -1.19 -4.75 116.55 112.73 3ab4 n ASP 247 Ca 0.14 0.48 -0.42 0.00 -0.53 0.00 0.00 54.79 54.46 3ab4 n ASP 247 Cb 0.29 -0.48 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 3ab4 n ASP 247 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3ab4 s ILE 248 N -3.00 3.93 0.27 0.53 1.01 -0.60 -5.00 121.20 118.34 3ab4 s ILE 248 Ca 0.14 1.44 -0.29 0.00 0.00 0.00 0.00 60.65 61.93 3ab4 s ILE 248 Cb 0.19 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 3ab4 s ILE 248 CO 0.54 0.14 1.10 -2.16 0.00 0.00 0.00 174.94 174.56 3ab4 s PRO 249 N 0.73 4.63 0.30 2.79 0.04 -1.26 -4.93 135.00 137.30 3ab4 s PRO 249 Ca 0.57 1.80 0.05 0.00 0.04 0.00 0.00 61.00 63.47 3ab4 s PRO 249 Cb -0.30 -3.20 0.83 0.00 0.04 0.00 0.00 34.50 31.87 3ab4 s PRO 249 CO 0.31 0.19 1.48 0.28 0.04 0.00 0.00 177.00 179.30 3ab4 n VAL 250 N 1.32 -0.40 -0.20 -0.36 0.31 -1.26 -1.49 118.33 116.26 3ab4 n VAL 250 Ca -0.01 2.04 0.01 0.00 -0.01 0.00 0.00 64.34 66.37 3ab4 n VAL 250 Cb 0.45 -3.04 0.10 0.00 -0.91 0.00 0.00 33.84 30.44 3ab4 n VAL 250 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3ab4 h GLU 251 N 0.00 0.19 -0.60 5.55 4.39 -2.03 -3.15 114.58 118.93 3ab4 h GLU 251 Ca 0.62 -0.01 -0.39 0.00 0.34 0.00 0.00 59.36 59.92 3ab4 h GLU 251 Cb 1.36 -0.04 -0.24 0.00 -0.10 0.00 0.00 28.75 29.73 3ab4 h GLU 251 CO -0.85 0.12 -0.10 0.39 -1.16 0.00 0.00 179.01 177.41 3ab4 n GLU 252 N -5.19 2.50 -3.23 2.33 -0.58 -0.55 -4.98 120.64 110.94 3ab4 n GLU 252 Ca 0.09 -3.49 -0.40 0.00 -0.42 0.00 0.00 57.16 52.93 3ab4 n GLU 252 Cb 0.33 -2.04 -0.08 0.00 -0.57 0.00 0.00 31.44 29.08 3ab4 n GLU 252 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ab4 s ALA 253 N -3.46 3.54 0.53 0.62 0.00 -1.19 -4.87 121.76 116.92 3ab4 s ALA 253 Ca 0.50 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.74 3ab4 s ALA 253 Cb 0.43 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.64 3ab4 s ALA 253 CO 0.01 -0.94 0.73 0.14 0.00 0.00 0.00 175.76 175.70 3ab4 s VAL 254 N 2.36 2.69 -0.41 0.00 -7.23 -1.26 -4.10 120.40 112.46 3ab4 s VAL 254 Ca 0.20 -0.78 -0.20 0.00 -1.81 0.00 0.00 61.98 59.39 3ab4 s VAL 254 Cb -0.15 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.89 3ab4 s VAL 254 CO 0.11 0.00 0.61 -0.76 -0.31 0.00 0.00 175.10 174.75 3ab4 s LEU 255 N -4.66 4.45 0.01 1.32 1.43 -1.26 -0.88 118.68 119.09 3ab4 s LEU 255 Ca 0.58 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 3ab4 s LEU 255 Cb -0.10 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3ab4 s LEU 255 CO 0.37 -0.68 1.09 0.00 0.23 0.00 0.00 176.35 177.37 3ab4 h THR 256 N 5.78 0.00 0.00 5.49 1.03 -1.27 -3.48 112.91 120.46 3ab4 h THR 256 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 3ab4 h THR 256 Cb 1.10 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.18 3ab4 h THR 256 CO 0.85 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.97 3ab4 n GLY 257 N -1.10 -0.77 3.59 2.99 0.00 -0.97 -4.68 105.19 104.24 3ab4 n GLY 257 Ca -0.02 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 3ab4 n GLY 257 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ab4 s VAL 258 N -2.00 4.86 0.14 1.61 1.01 0.14 -1.71 120.40 124.44 3ab4 s VAL 258 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.06 3ab4 s VAL 258 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3ab4 s VAL 258 CO 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 175.10 175.41 3ab4 s ALA 259 N 1.00 3.05 0.05 5.51 0.00 -0.16 -4.37 121.76 126.84 3ab4 s ALA 259 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.70 3ab4 s ALA 259 Cb -0.14 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 3ab4 s ALA 259 CO 0.03 0.57 -0.05 -0.08 0.00 0.00 0.00 175.76 176.24 3ab4 s THR 260 N -1.46 0.37 -0.30 0.00 -1.32 -1.26 0.13 115.64 111.80 3ab4 s THR 260 Ca 0.24 -1.53 -0.10 0.00 -1.21 0.00 0.00 61.69 59.09 3ab4 s THR 260 Cb -0.10 -1.14 0.13 0.00 -1.51 0.00 0.00 72.50 69.88 3ab4 s THR 260 CO 0.16 -0.76 0.66 -0.62 -2.21 0.00 0.00 174.62 171.85 3ab4 s ASP 261 N -2.42 -1.14 -0.16 8.08 2.15 0.85 -4.48 116.67 119.55 3ab4 s ASP 261 Ca 0.01 1.53 0.14 0.00 0.43 0.00 0.00 52.55 54.65 3ab4 s ASP 261 Cb 0.01 2.28 0.37 0.00 -0.30 0.00 0.00 42.92 45.28 3ab4 s ASP 261 CO -0.05 -0.22 1.19 2.29 -0.17 0.00 0.00 175.17 178.21 3ab4 n LYS 262 N 5.43 1.29 -0.98 4.34 2.85 -1.26 -1.12 118.16 128.71 3ab4 n LYS 262 Ca -0.12 -2.91 -0.03 0.00 -1.05 0.00 0.00 58.31 54.20 3ab4 n LYS 262 Cb 0.49 -1.38 0.32 0.00 -0.65 0.00 0.00 35.03 33.81 3ab4 n LYS 262 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3ab4 n SER 263 N -0.98 4.88 -3.98 -5.58 3.41 -1.26 -4.97 113.62 105.14 3ab4 n SER 263 Ca 0.16 -3.19 -0.08 0.00 -0.26 0.00 0.00 58.87 55.50 3ab4 n SER 263 Cb 0.73 -0.73 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 3ab4 n SER 263 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ab4 s GLU 264 N -2.97 0.61 0.01 4.33 2.02 -1.26 -2.02 118.70 119.42 3ab4 s GLU 264 Ca 0.54 -0.94 0.06 0.00 0.02 0.00 0.00 54.97 54.65 3ab4 s GLU 264 Cb 0.43 0.23 -0.02 0.00 0.10 0.00 0.00 34.13 34.87 3ab4 s GLU 264 CO 0.13 -0.14 -0.18 0.00 0.02 0.00 0.00 175.26 175.09 3ab4 s ALA 265 N -3.16 1.54 -0.14 5.21 0.00 0.19 -4.36 121.76 121.03 3ab4 s ALA 265 Ca -0.00 -0.87 -0.23 0.00 0.00 0.00 0.00 51.96 50.86 3ab4 s ALA 265 Cb 0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3ab4 s ALA 265 CO -0.07 0.36 0.73 0.21 0.00 0.00 0.00 175.76 176.98 3ab4 s LYS 266 N -0.75 4.32 0.04 0.00 2.20 -0.98 -1.71 119.74 122.87 3ab4 s LYS 266 Ca 0.06 0.85 0.05 0.00 -0.36 0.00 0.00 55.97 56.57 3ab4 s LYS 266 Cb -0.08 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 3ab4 s LYS 266 CO 0.00 -0.17 -0.10 0.08 -0.36 0.00 0.00 175.35 174.80 3ab4 s VAL 267 N 1.62 3.38 -0.09 4.02 1.01 0.21 -1.80 120.40 128.76 3ab4 s VAL 267 Ca 0.35 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 3ab4 s VAL 267 Cb -0.17 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.76 3ab4 s VAL 267 CO 0.14 0.30 0.07 -0.89 0.00 0.00 0.00 175.10 174.71 3ab4 s THR 268 N -1.05 -0.08 -0.50 3.92 2.01 -1.16 -1.42 115.64 117.37 3ab4 s THR 268 Ca 0.18 0.21 -0.21 0.00 0.31 0.00 0.00 61.69 62.18 3ab4 s THR 268 Cb -0.11 -0.32 0.05 0.00 0.01 0.00 0.00 72.50 72.13 3ab4 s THR 268 CO 0.09 0.02 0.71 -0.69 -0.69 0.00 0.00 174.62 174.06 3ab4 s VAL 269 N 2.15 4.74 -0.20 3.82 1.01 0.75 -0.46 120.40 132.21 3ab4 s VAL 269 Ca 0.04 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 3ab4 s VAL 269 Cb -0.13 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3ab4 s VAL 269 CO -0.05 -0.83 0.49 -0.76 0.00 0.00 0.00 175.10 173.94 3ab4 s LEU 270 N 3.00 4.15 0.00 3.92 1.43 -0.11 -1.70 118.68 129.37 3ab4 s LEU 270 Ca 0.21 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 3ab4 s LEU 270 Cb -0.16 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.40 3ab4 s LEU 270 CO 0.15 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.19 3ab4 n GLY 271 N 3.91 1.31 3.77 -3.19 0.00 -0.91 -2.29 105.19 107.79 3ab4 n GLY 271 Ca -0.06 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 3ab4 n GLY 271 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ab4 s ILE 272 N -2.00 2.92 0.23 -0.61 1.01 0.34 -4.22 121.20 118.88 3ab4 s ILE 272 Ca 0.00 0.65 -0.30 0.00 0.00 0.00 0.00 60.65 61.00 3ab4 s ILE 272 Cb 0.00 -3.31 -0.10 0.00 0.01 0.00 0.00 42.46 39.07 3ab4 s ILE 272 CO 0.00 -0.05 1.38 -0.44 0.00 0.00 0.00 174.94 175.83 3ab4 s SER 273 N -1.42 6.75 -0.02 3.58 0.01 -1.26 0.86 113.70 122.20 3ab4 s SER 273 Ca 0.68 2.57 -0.00 0.00 1.31 0.00 0.00 55.95 60.51 3ab4 s SER 273 Cb -0.29 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.33 3ab4 s SER 273 CO 0.34 -0.62 1.93 -0.67 0.41 0.00 0.00 173.24 174.63 3ab4 n ASP 274 N 2.36 5.25 -4.93 2.44 4.64 -0.81 -4.77 116.55 120.73 3ab4 n ASP 274 Ca 0.06 -2.42 -0.27 0.00 -1.38 0.00 0.00 54.79 50.79 3ab4 n ASP 274 Cb 0.41 -1.08 -0.03 0.00 -1.04 0.00 0.00 41.12 39.38 3ab4 n ASP 274 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3ab4 s LYS 275 N -0.09 3.50 0.35 -0.67 -0.14 -1.26 -4.99 119.74 116.43 3ab4 s LYS 275 Ca 0.02 -0.42 -0.28 0.00 -1.36 0.00 0.00 55.97 53.93 3ab4 s LYS 275 Cb 0.01 -2.87 -0.11 0.00 -1.68 0.00 0.00 37.83 33.18 3ab4 s LYS 275 CO -0.00 0.43 1.39 -2.14 -0.76 0.00 0.00 175.35 174.27 3ab4 s PRO 276 N -3.32 4.25 0.00 -1.68 0.02 -1.26 -3.65 135.00 129.35 3ab4 s PRO 276 Ca 0.37 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.77 3ab4 s PRO 276 Cb -0.11 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3ab4 s PRO 276 CO 0.29 -0.34 0.00 0.41 -0.33 0.00 0.00 177.00 177.03 3ab4 n GLY 277 N 0.68 1.33 0.21 0.52 0.00 -1.26 -4.95 105.19 101.72 3ab4 n GLY 277 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3ab4 n GLY 277 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ab4 h GLU 278 N 3.60 0.71 -0.94 1.61 4.39 -1.88 -3.20 114.58 118.86 3ab4 h GLU 278 Ca 0.00 -0.49 0.13 0.00 0.34 0.00 0.00 59.36 59.35 3ab4 h GLU 278 Cb 0.00 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 28.63 3ab4 h GLU 278 CO 0.00 1.11 0.56 0.00 -1.16 0.00 0.00 179.01 179.52 3ab4 h ALA 279 N 0.60 1.44 -0.60 3.43 0.00 -1.91 -1.26 119.26 120.96 3ab4 h ALA 279 Ca -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3ab4 h ALA 279 Cb 1.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3ab4 h ALA 279 CO 0.11 0.09 0.22 0.00 0.00 0.00 0.00 179.25 179.67 3ab4 h ALA 280 N 1.55 0.78 -0.99 0.00 0.00 -1.98 -0.53 119.26 118.08 3ab4 h ALA 280 Ca 0.49 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.42 3ab4 h ALA 280 Cb 0.58 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 3ab4 h ALA 280 CO -0.30 0.42 0.62 1.57 0.00 0.00 0.00 179.25 181.55 3ab4 h LYS 281 N 0.84 0.65 0.37 0.00 2.10 -1.24 0.30 116.57 119.59 3ab4 h LYS 281 Ca 0.20 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.79 3ab4 h LYS 281 Cb 0.24 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 3ab4 h LYS 281 CO -0.01 0.43 -0.18 -0.39 -2.00 0.00 0.00 179.45 177.30 3ab4 h VAL 282 N 0.67 0.14 -0.49 0.07 -1.51 -0.97 -3.09 116.25 111.08 3ab4 h VAL 282 Ca 0.57 -0.68 -0.10 0.00 -1.23 0.00 0.00 66.70 65.26 3ab4 h VAL 282 Cb 1.01 0.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.39 3ab4 h VAL 282 CO -0.34 0.04 -0.09 2.19 -1.23 0.00 0.00 177.57 178.13 3ab4 h PHE 283 N -1.09 1.04 0.41 5.19 -5.15 -0.91 -2.11 116.94 114.31 3ab4 h PHE 283 Ca -0.05 -0.21 -0.01 0.00 -0.20 0.00 0.00 57.97 57.50 3ab4 h PHE 283 Cb 0.44 -0.26 -0.03 0.00 0.22 0.00 0.00 35.95 36.33 3ab4 h PHE 283 CO 0.01 0.99 -0.44 -0.09 -2.00 0.00 0.00 178.31 176.78 3ab4 h ARG 284 N 0.78 -0.84 -0.80 6.09 2.43 -0.57 0.30 114.38 121.76 3ab4 h ARG 284 Ca 0.13 0.06 0.18 0.00 -0.81 0.00 0.00 59.98 59.53 3ab4 h ARG 284 Cb 0.64 0.19 -0.11 0.00 -0.42 0.00 0.00 29.97 30.27 3ab4 h ARG 284 CO 0.04 -0.56 0.28 0.00 -1.51 0.00 0.00 179.97 178.22 3ab4 h ALA 285 N -0.58 1.15 -0.31 2.80 0.00 -1.50 -0.34 119.26 120.48 3ab4 h ALA 285 Ca -0.04 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3ab4 h ALA 285 Cb 0.78 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3ab4 h ALA 285 CO -0.08 -0.31 -0.13 -0.07 0.00 0.00 0.00 179.25 178.65 3ab4 h LEU 286 N 0.35 0.51 0.32 0.00 3.38 -0.84 -3.30 115.31 115.73 3ab4 h LEU 286 Ca 0.47 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 3ab4 h LEU 286 Cb 0.82 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3ab4 h LEU 286 CO -0.50 0.68 -0.15 0.00 0.09 0.00 0.00 178.44 178.55 3ab4 h ALA 287 N 1.38 -0.43 0.00 1.53 0.00 0.84 -3.32 119.26 119.27 3ab4 h ALA 287 Ca 0.09 -0.18 -0.45 0.00 0.00 0.00 0.00 54.91 54.37 3ab4 h ALA 287 Cb 0.52 0.16 0.04 0.00 0.00 0.00 0.00 17.79 18.51 3ab4 h ALA 287 CO 0.03 -0.58 2.25 -0.25 0.00 0.00 0.00 179.25 180.70 3ab4 n ASP 288 N -5.14 3.25 0.00 0.00 8.00 -1.09 -3.11 116.55 118.46 3ab4 n ASP 288 Ca -0.10 -2.43 0.00 0.00 0.71 0.00 0.00 54.79 52.97 3ab4 n ASP 288 Cb 0.26 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 3ab4 n ASP 288 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ab4 n ALA 289 N 5.81 0.00 -3.71 2.24 0.00 -1.25 -5.03 120.51 118.57 3ab4 n ALA 289 Ca 0.42 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 3ab4 n ALA 289 Cb 0.24 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.72 3ab4 n ALA 289 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ab4 n GLU 290 N 0.00 -4.83 -3.57 0.00 1.02 -1.18 -4.98 120.64 107.09 3ab4 n GLU 290 Ca 0.00 0.61 -0.29 0.00 -0.02 0.00 0.00 57.16 57.47 3ab4 n GLU 290 Cb 0.14 -5.15 -0.15 0.00 -0.02 0.00 0.00 31.44 26.25 3ab4 n GLU 290 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3ab4 s ILE 291 N -3.68 0.04 0.22 -3.67 2.07 -1.26 -5.11 121.20 109.81 3ab4 s ILE 291 Ca 0.00 -0.75 -0.30 0.00 -1.41 0.00 0.00 60.65 58.20 3ab4 s ILE 291 Cb -0.00 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.50 3ab4 s ILE 291 CO 0.81 -0.66 1.08 0.20 -1.91 0.00 0.00 174.94 174.47 3ab4 s ASN 292 N 2.05 7.31 -0.16 4.50 0.01 -1.26 -4.78 114.94 122.61 3ab4 s ASN 292 Ca 0.08 2.14 -0.08 0.00 -0.71 0.00 0.00 52.86 54.29 3ab4 s ASN 292 Cb -0.16 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.84 3ab4 s ASN 292 CO -0.32 -0.15 0.12 0.27 -1.51 0.00 0.00 177.10 175.52 3ab4 s ILE 293 N -0.70 5.31 -0.08 0.60 -5.25 -1.26 -4.27 121.20 115.55 3ab4 s ILE 293 Ca 0.46 0.15 -0.08 0.00 -0.99 0.00 0.00 60.65 60.19 3ab4 s ILE 293 Cb -0.30 -3.37 -0.03 0.00 2.95 0.00 0.00 42.46 41.72 3ab4 s ILE 293 CO 0.37 0.52 -0.15 -0.67 -1.79 0.00 0.00 174.94 173.22 3ab4 n ASP 294 N 2.86 0.86 -3.55 4.36 4.64 0.00 -4.99 116.55 120.74 3ab4 n ASP 294 Ca -0.18 0.15 -0.29 0.00 -1.38 0.00 0.00 54.79 53.09 3ab4 n ASP 294 Cb 0.53 -0.60 -0.15 0.00 -1.04 0.00 0.00 41.12 39.86 3ab4 n ASP 294 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ab4 s MET 295 N -1.85 0.21 0.20 -0.67 0.23 -1.26 -4.96 119.30 111.20 3ab4 s MET 295 Ca -0.13 -0.55 -0.30 0.00 -1.03 0.00 0.00 55.69 53.68 3ab4 s MET 295 Cb 0.02 -1.18 -0.08 0.00 -1.53 0.00 0.00 34.83 32.05 3ab4 s MET 295 CO 0.19 -1.02 0.95 0.54 -2.03 0.00 0.00 175.02 173.65 3ab4 s VAL 296 N 2.08 4.19 -0.06 5.16 0.11 -1.26 -3.76 120.40 126.86 3ab4 s VAL 296 Ca 0.09 2.07 0.01 0.00 -2.93 0.00 0.00 61.98 61.22 3ab4 s VAL 296 Cb -0.16 -4.32 0.02 0.00 -1.53 0.00 0.00 36.38 30.39 3ab4 s VAL 296 CO -0.37 0.44 -0.08 -0.76 -3.33 0.00 0.00 175.10 171.00 3ab4 s LEU 297 N -0.82 1.45 0.04 2.54 1.02 0.45 -4.98 118.68 118.38 3ab4 s LEU 297 Ca 0.43 -0.22 0.03 0.00 0.02 0.00 0.00 54.13 54.39 3ab4 s LEU 297 Cb -0.25 -0.65 -0.02 0.00 0.02 0.00 0.00 46.19 45.28 3ab4 s LEU 297 CO 0.32 -0.02 -0.10 -1.58 0.02 0.00 0.00 176.35 174.99 3ab4 s GLN 298 N 0.88 0.63 0.00 1.70 0.74 -1.26 -0.94 119.66 121.41 3ab4 s GLN 298 Ca -0.11 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.62 3ab4 s GLN 298 Cb -0.15 -0.52 0.00 0.00 1.10 0.00 0.00 33.01 33.44 3ab4 s GLN 298 CO 0.01 0.12 0.00 -1.71 -0.55 0.00 0.00 175.29 173.16 3ab4 n ASN 299 N 1.79 0.00 0.00 6.67 5.15 -1.26 -5.09 115.26 122.52 3ab4 n ASN 299 Ca -0.20 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 3ab4 n ASN 299 Cb 0.55 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.83 3ab4 n ASN 299 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3ab4 n ASP 305 N -1.70 0.00 -3.86 1.20 -0.08 -1.26 -4.90 116.55 105.95 3ab4 n ASP 305 Ca 0.00 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 3ab4 n ASP 305 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 3ab4 n ASP 305 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ab4 n GLY 306 N 1.10 1.43 3.22 0.27 0.00 -1.26 -4.83 105.19 105.12 3ab4 n GLY 306 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 3ab4 n GLY 306 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ab4 s THR 307 N 7.87 0.95 0.23 2.61 -1.32 -1.26 -1.91 115.64 122.81 3ab4 s THR 307 Ca 0.65 -2.01 -0.08 0.00 -1.21 0.00 0.00 61.69 59.04 3ab4 s THR 307 Cb 0.10 -1.80 -0.02 0.00 -1.51 0.00 0.00 72.50 69.27 3ab4 s THR 307 CO 0.19 -0.78 0.35 0.28 -2.21 0.00 0.00 174.62 172.45 3ab4 s THR 308 N -3.47 0.00 -0.02 5.08 -1.32 0.25 -4.79 115.64 111.37 3ab4 s THR 308 Ca 0.15 -1.63 0.08 0.00 -1.21 0.00 0.00 61.69 59.08 3ab4 s THR 308 Cb 0.04 -2.31 -0.02 0.00 -1.51 0.00 0.00 72.50 68.70 3ab4 s THR 308 CO -0.01 -0.00 -0.25 -1.81 -2.21 0.00 0.00 174.62 170.33 3ab4 s ASP 309 N -3.07 2.94 -0.13 8.08 1.11 -1.26 0.13 116.67 124.47 3ab4 s ASP 309 Ca 0.28 -0.46 0.02 0.00 0.18 0.00 0.00 52.55 52.58 3ab4 s ASP 309 Cb 0.02 -0.37 0.00 0.00 1.07 0.00 0.00 42.92 43.65 3ab4 s ASP 309 CO 0.10 0.30 -0.20 -0.63 1.18 0.00 0.00 175.17 175.92 3ab4 s ILE 310 N -0.55 2.30 0.12 0.77 1.01 -0.69 -3.99 121.20 120.16 3ab4 s ILE 310 Ca 0.09 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 59.88 3ab4 s ILE 310 Cb -0.10 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3ab4 s ILE 310 CO -0.01 0.54 -0.02 -0.89 0.00 0.00 0.00 174.94 174.57 3ab4 s THR 311 N 0.59 3.81 0.16 2.92 2.01 -0.12 -0.18 115.64 124.83 3ab4 s THR 311 Ca -0.11 -1.16 -0.13 0.00 0.31 0.00 0.00 61.69 60.59 3ab4 s THR 311 Cb -0.16 -2.84 0.01 0.00 0.01 0.00 0.00 72.50 69.52 3ab4 s THR 311 CO 0.03 0.05 0.37 0.72 -0.69 0.00 0.00 174.62 175.11 3ab4 s PHE 312 N -1.40 0.09 -0.03 4.92 -0.12 -0.51 -0.41 117.98 120.52 3ab4 s PHE 312 Ca 0.25 -0.45 0.04 0.00 -0.05 0.00 0.00 56.93 56.72 3ab4 s PHE 312 Cb -0.11 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.40 3ab4 s PHE 312 CO 0.18 -0.76 -0.13 0.99 -0.05 0.00 0.00 175.22 175.44 3ab4 s THR 313 N -3.89 3.15 0.25 -4.49 2.01 -1.25 -0.61 115.64 110.80 3ab4 s THR 313 Ca 0.10 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.35 3ab4 s THR 313 Cb 0.02 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 3ab4 s THR 313 CO -0.04 0.52 0.00 0.00 -0.69 0.00 0.00 174.62 174.41 3ab4 n PRO 315 N -0.46 2.20 0.11 0.00 -0.02 -1.26 0.54 135.00 136.11 3ab4 n PRO 315 Ca -0.04 0.78 0.20 0.00 -2.02 0.00 0.00 63.50 62.41 3ab4 n PRO 315 Cb 0.64 -2.49 0.75 0.00 -0.02 0.00 0.00 33.50 32.38 3ab4 n PRO 315 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ab4 h ARG 316 N 2.40 0.00 -0.39 -0.52 3.08 -1.64 -0.02 114.38 117.29 3ab4 h ARG 316 Ca -0.49 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 3ab4 h ARG 316 Cb 1.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 3ab4 h ARG 316 CO 0.61 0.00 0.17 0.77 -1.07 0.00 0.00 179.97 180.46 3ab4 h SER 317 N 0.00 0.48 -1.02 7.04 0.02 -1.89 -3.19 113.55 114.99 3ab4 h SER 317 Ca 0.18 -0.04 -0.58 0.00 -0.84 0.00 0.00 61.79 60.51 3ab4 h SER 317 Cb 1.07 -0.12 -0.23 0.00 0.14 0.00 0.00 62.40 63.25 3ab4 h SER 317 CO -0.00 0.43 0.73 0.47 -1.14 0.00 0.00 176.83 177.32 3ab4 n ASP 318 N -4.40 7.23 -0.06 3.07 8.00 -0.02 -4.63 116.55 125.74 3ab4 n ASP 318 Ca 0.03 -3.54 -0.11 0.00 0.71 0.00 0.00 54.79 51.87 3ab4 n ASP 318 Cb 0.13 -1.04 -0.10 0.00 -0.02 0.00 0.00 41.12 40.08 3ab4 n ASP 318 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3ab4 h GLY 319 N 2.50 -0.01 1.96 0.44 0.00 -1.72 -2.85 103.07 103.39 3ab4 h GLY 319 Ca 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.71 3ab4 h GLY 319 CO 1.27 -0.00 -0.54 0.07 0.00 0.00 0.00 176.54 177.34 3ab4 h ARG 320 N -0.98 0.04 0.11 4.80 0.11 -1.89 -2.94 114.38 113.64 3ab4 h ARG 320 Ca -0.00 -0.03 -0.26 0.00 0.10 0.00 0.00 59.98 59.79 3ab4 h ARG 320 Cb 0.77 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.85 3ab4 h ARG 320 CO 0.00 0.58 -1.20 0.07 0.10 0.00 0.00 179.97 179.51 3ab4 h ARG 321 N 0.03 0.23 -0.05 0.08 0.11 -1.89 -1.26 114.38 111.62 3ab4 h ARG 321 Ca -0.00 -0.39 -0.15 0.00 0.10 0.00 0.00 59.98 59.54 3ab4 h ARG 321 Cb 0.97 0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 3ab4 h ARG 321 CO 0.07 1.18 -0.64 0.00 0.10 0.00 0.00 179.97 180.69 3ab4 h ALA 322 N 0.65 0.83 0.13 0.08 0.00 -1.55 -2.79 119.26 116.61 3ab4 h ALA 322 Ca -0.11 -0.57 -0.21 0.00 0.00 0.00 0.00 54.91 54.02 3ab4 h ALA 322 Cb 1.94 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.66 3ab4 h ALA 322 CO 0.19 0.76 -0.99 1.98 0.00 0.00 0.00 179.25 181.20 3ab4 h MET 323 N 0.14 0.28 -0.97 0.00 4.05 -1.56 -2.54 114.93 114.33 3ab4 h MET 323 Ca -0.01 -0.48 0.11 0.00 -0.28 0.00 0.00 59.70 59.04 3ab4 h MET 323 Cb 1.15 0.18 -0.08 0.00 -0.80 0.00 0.00 31.60 32.06 3ab4 h MET 323 CO 0.10 1.23 0.62 0.93 0.23 0.00 0.00 176.91 180.01 3ab4 h GLU 324 N -0.36 0.94 0.00 0.39 5.08 -1.32 -1.88 114.58 117.43 3ab4 h GLU 324 Ca -0.19 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 57.99 3ab4 h GLU 324 Cb 1.67 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 3ab4 h GLU 324 CO 0.12 0.62 -0.56 0.97 -1.00 0.00 0.00 179.01 179.16 3ab4 h ILE 325 N 0.97 1.08 -0.00 3.13 2.10 -1.56 -3.16 117.51 120.07 3ab4 h ILE 325 Ca 0.47 -2.21 0.00 0.00 1.08 0.00 0.00 64.86 64.20 3ab4 h ILE 325 Cb 0.45 2.32 0.00 0.00 -1.09 0.00 0.00 36.82 38.50 3ab4 h ILE 325 CO -0.23 0.55 -0.08 0.18 -1.08 0.00 0.00 178.15 177.50 3ab4 n LEU 326 N -3.40 0.10 0.31 2.19 4.77 -0.75 -3.60 117.00 116.62 3ab4 n LEU 326 Ca 0.01 0.38 -0.17 0.00 -0.03 0.00 0.00 56.01 56.20 3ab4 n LEU 326 Cb 0.69 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 3ab4 n LEU 326 CO 0.41 0.02 0.61 0.07 -1.33 0.00 0.00 177.39 177.17 3ab4 h LYS 327 N 0.03 -0.86 -6.34 3.23 2.10 -1.40 -3.48 116.57 109.85 3ab4 h LYS 327 Ca 0.00 0.06 -0.57 0.00 -2.00 0.00 0.00 60.65 58.14 3ab4 h LYS 327 Cb 0.47 0.20 -0.04 0.00 -0.90 0.00 0.00 32.23 31.96 3ab4 h LYS 327 CO 0.00 -0.57 1.21 -1.59 -2.00 0.00 0.00 179.45 176.49 3ab4 s LYS 328 N -6.00 3.36 -0.86 0.07 -2.85 -1.24 -4.87 119.74 107.35 3ab4 s LYS 328 Ca -0.18 1.16 -0.05 0.00 -1.00 0.00 0.00 55.97 55.91 3ab4 s LYS 328 Cb 0.05 -4.15 -0.05 0.00 -2.06 0.00 0.00 37.83 31.61 3ab4 s LYS 328 CO 0.62 -1.83 0.76 0.00 0.10 0.00 0.00 175.35 175.00 3ab4 n GLN 332 N 8.38 -1.82 0.00 1.78 -0.00 -1.26 -4.97 117.38 119.49 3ab4 n GLN 332 Ca 0.20 0.80 0.00 0.00 -0.00 0.00 0.00 57.00 58.00 3ab4 n GLN 332 Cb 0.48 -5.16 0.00 0.00 -0.00 0.00 0.00 30.24 25.55 3ab4 n GLN 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ab4 n GLY 333 N -1.31 0.95 1.15 2.61 0.00 -1.26 -5.07 105.19 102.25 3ab4 n GLY 333 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3ab4 n GLY 333 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ab4 n ASN 334 N 0.00 0.45 -4.12 1.61 5.03 -1.26 -5.12 115.26 111.85 3ab4 n ASN 334 Ca 0.00 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.16 3ab4 n ASN 334 Cb 0.00 0.00 0.24 0.00 -1.02 0.00 0.00 39.78 39.00 3ab4 n ASN 334 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 3ab4 s TRP 335 N -1.92 0.86 -0.12 3.10 -2.14 -1.26 -4.96 118.94 112.50 3ab4 s TRP 335 Ca 0.00 0.79 -0.06 0.00 2.66 0.00 0.00 56.10 59.49 3ab4 s TRP 335 Cb 0.00 -3.20 -0.03 0.00 -3.10 0.00 0.00 33.47 27.14 3ab4 s TRP 335 CO 0.00 -3.91 -0.02 1.79 -2.66 0.00 0.00 176.95 172.15 3ab4 h THR 336 N -2.63 0.12 -3.75 0.66 1.35 -1.63 -3.49 112.91 103.54 3ab4 h THR 336 Ca -0.52 -1.11 -0.12 0.00 -0.55 0.00 0.00 66.41 64.12 3ab4 h THR 336 Cb 1.33 0.25 -0.08 0.00 -1.73 0.00 0.00 68.15 67.91 3ab4 h THR 336 CO 0.43 0.04 -0.12 0.21 -0.25 0.00 0.00 175.52 175.83 3ab4 s ASN 337 N -5.70 0.19 -0.07 5.36 2.47 -1.11 -5.04 114.94 111.04 3ab4 s ASN 337 Ca -0.08 -1.11 -0.03 0.00 0.42 0.00 0.00 52.86 52.06 3ab4 s ASN 337 Cb 0.01 0.62 0.04 0.00 -1.45 0.00 0.00 41.25 40.47 3ab4 s ASN 337 CO 0.14 -1.22 0.14 0.68 -3.72 0.00 0.00 177.10 173.12 3ab4 s VAL 338 N -3.61 -0.10 0.44 -5.21 -7.23 -1.26 -0.93 120.40 102.49 3ab4 s VAL 338 Ca 0.25 0.23 0.08 0.00 -1.81 0.00 0.00 61.98 60.72 3ab4 s VAL 338 Cb -0.01 -0.24 -0.00 0.00 0.56 0.00 0.00 36.38 36.69 3ab4 s VAL 338 CO 0.12 0.10 0.46 -0.76 -0.31 0.00 0.00 175.10 174.71 3ab4 s LEU 339 N 1.46 3.39 -0.27 1.32 1.02 0.40 -4.92 118.68 121.08 3ab4 s LEU 339 Ca -0.06 -0.70 -0.01 0.00 0.02 0.00 0.00 54.13 53.38 3ab4 s LEU 339 Cb -0.12 -2.12 0.16 0.00 0.02 0.00 0.00 46.19 44.13 3ab4 s LEU 339 CO -0.06 -0.76 0.46 -0.47 0.02 0.00 0.00 176.35 175.54 3ab4 s TYR 340 N -2.48 -1.16 -0.34 0.29 6.14 -1.26 -2.99 117.35 115.56 3ab4 s TYR 340 Ca 0.50 0.99 0.00 0.00 0.64 0.00 0.00 57.07 59.20 3ab4 s TYR 340 Cb -0.05 0.15 0.08 0.00 0.42 0.00 0.00 41.96 42.57 3ab4 s TYR 340 CO 0.29 -0.85 0.06 0.34 0.64 0.00 0.00 175.55 176.04 3ab4 s ASP 341 N 2.65 4.90 0.03 4.32 3.68 -0.74 -4.98 116.67 126.53 3ab4 s ASP 341 Ca 0.14 -1.79 0.28 0.00 2.13 0.00 0.00 52.55 53.31 3ab4 s ASP 341 Cb -0.14 -1.70 1.00 0.00 -1.45 0.00 0.00 42.92 40.63 3ab4 s ASP 341 CO -0.21 -0.37 1.78 -0.90 0.13 0.00 0.00 175.17 175.60 3ab4 n ASP 342 N 4.47 0.23 -1.88 -0.34 5.68 -1.26 -2.31 116.55 121.14 3ab4 n ASP 342 Ca -0.05 0.34 -0.18 0.00 -0.50 0.00 0.00 54.79 54.40 3ab4 n ASP 342 Cb 0.42 -0.35 0.08 0.00 -1.14 0.00 0.00 41.12 40.13 3ab4 n ASP 342 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ab4 n GLN 343 N -1.62 1.91 -3.20 0.11 6.02 -1.26 -4.76 117.38 114.58 3ab4 n GLN 343 Ca 0.06 -1.96 -0.43 0.00 -0.01 0.00 0.00 57.00 54.66 3ab4 n GLN 343 Cb 0.35 -1.77 -0.07 0.00 1.02 0.00 0.00 30.24 29.77 3ab4 n GLN 343 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3ab4 s VAL 344 N -2.51 4.94 0.82 5.09 -7.23 -1.26 -1.13 120.40 119.12 3ab4 s VAL 344 Ca 0.38 -0.22 -0.11 0.00 -1.81 0.00 0.00 61.98 60.22 3ab4 s VAL 344 Cb 0.31 -4.17 0.08 0.00 0.56 0.00 0.00 36.38 33.16 3ab4 s VAL 344 CO 0.03 -0.59 1.09 -0.83 -0.31 0.00 0.00 175.10 174.50 3ab4 s GLY 345 N 2.11 1.64 -0.23 2.32 0.00 0.11 -4.63 107.32 108.64 3ab4 s GLY 345 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.83 3ab4 s GLY 345 CO 0.15 0.40 0.24 1.25 0.00 0.00 0.00 173.10 175.13 3ab4 s LYS 346 N -5.01 0.22 -0.08 2.90 2.20 -0.27 -2.88 119.74 116.81 3ab4 s LYS 346 Ca 0.62 0.10 0.03 0.00 -0.36 0.00 0.00 55.97 56.36 3ab4 s LYS 346 Cb -0.16 -1.08 -0.01 0.00 -1.51 0.00 0.00 37.83 35.06 3ab4 s LYS 346 CO 0.56 -0.75 -0.19 0.54 -0.36 0.00 0.00 175.35 175.15 3ab4 s VAL 347 N 2.33 2.62 0.13 4.02 0.11 -1.13 -0.11 120.40 128.36 3ab4 s VAL 347 Ca 0.08 -0.85 0.06 0.00 -2.93 0.00 0.00 61.98 58.34 3ab4 s VAL 347 Cb -0.15 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.63 3ab4 s VAL 347 CO -0.18 0.56 -0.15 -0.44 -3.33 0.00 0.00 175.10 171.56 3ab4 s SER 348 N -0.07 2.10 -0.07 3.54 0.01 0.12 -2.38 113.70 116.95 3ab4 s SER 348 Ca -0.04 -0.81 0.04 0.00 1.31 0.00 0.00 55.95 56.44 3ab4 s SER 348 Cb -0.14 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 3ab4 s SER 348 CO 0.04 -0.13 -0.19 -0.22 0.41 0.00 0.00 173.24 173.15 3ab4 s LEU 349 N -2.47 2.39 0.05 2.44 2.96 -0.36 -0.99 118.68 122.70 3ab4 s LEU 349 Ca 0.10 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3ab4 s LEU 349 Cb -0.05 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 3ab4 s LEU 349 CO 0.03 0.25 -0.15 0.68 -1.32 0.00 0.00 176.35 175.85 3ab4 s VAL 350 N -0.19 1.16 0.00 1.68 -7.23 -0.69 -1.47 120.40 113.66 3ab4 s VAL 350 Ca -0.02 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 3ab4 s VAL 350 Cb -0.13 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.73 3ab4 s VAL 350 CO 0.03 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 3ab4 n GLY 351 N 1.63 2.22 0.29 2.32 0.00 -0.22 -0.75 105.19 110.69 3ab4 n GLY 351 Ca -0.19 0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.16 3ab4 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ab4 h ALA 352 N 0.00 1.41 -1.02 4.61 0.00 -1.81 -1.97 119.26 120.47 3ab4 h ALA 352 Ca 0.00 -0.03 0.28 0.00 0.00 0.00 0.00 54.91 55.16 3ab4 h ALA 352 Cb 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3ab4 h ALA 352 CO 0.00 0.04 0.70 0.78 0.00 0.00 0.00 179.25 180.77 3ab4 h GLY 353 N 0.23 0.56 2.00 0.00 0.00 -1.16 -0.53 103.07 104.17 3ab4 h GLY 353 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3ab4 h GLY 353 CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.49 3ab4 h MET 354 N 0.20 0.00 -0.77 4.80 3.00 -1.59 -3.30 114.93 117.28 3ab4 h MET 354 Ca 0.53 0.00 0.13 0.00 0.00 0.00 0.00 59.70 60.36 3ab4 h MET 354 Cb 1.71 0.00 -0.09 0.00 0.00 0.00 0.00 31.60 33.22 3ab4 h MET 354 CO -0.14 0.00 0.35 -0.22 0.00 0.00 0.00 176.91 176.90 3ab4 h LYS 355 N 0.00 0.51 0.00 -0.10 3.64 -1.23 -3.14 116.57 116.25 3ab4 h LYS 355 Ca 0.00 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 3ab4 h LYS 355 Cb 0.85 -0.12 -0.24 0.00 -0.41 0.00 0.00 32.23 32.32 3ab4 h LYS 355 CO 0.00 0.34 -0.80 -1.13 -2.27 0.00 0.00 179.45 175.58 3ab4 n SER 356 N -4.93 1.08 -4.13 4.20 3.41 -1.26 -4.99 113.62 107.00 3ab4 n SER 356 Ca 0.14 -2.46 -0.36 0.00 -0.26 0.00 0.00 58.87 55.94 3ab4 n SER 356 Cb 0.38 -0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 63.87 3ab4 n SER 356 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3ab4 s HIS 357 N -0.82 3.54 0.58 7.33 5.04 -1.19 -5.09 115.29 124.67 3ab4 s HIS 357 Ca 0.30 -2.35 -0.19 0.00 -1.54 0.00 0.00 55.06 51.29 3ab4 s HIS 357 Cb 0.33 -3.01 -0.04 0.00 0.04 0.00 0.00 32.58 29.90 3ab4 s HIS 357 CO -0.12 -0.94 1.19 -2.14 -2.34 0.00 0.00 174.74 170.39 3ab4 s PRO 358 N 1.15 3.09 0.00 2.88 0.02 -1.26 -3.80 135.00 137.07 3ab4 s PRO 358 Ca 0.06 1.77 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3ab4 s PRO 358 Cb -0.22 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.34 3ab4 s PRO 358 CO -0.04 -1.10 0.00 0.41 -0.33 0.00 0.00 177.00 175.94 3ab4 n GLY 359 N 0.42 0.48 0.13 0.52 0.00 -1.26 -4.96 105.19 100.52 3ab4 n GLY 359 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3ab4 n GLY 359 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ab4 h VAL 360 N 0.00 1.19 -0.32 1.61 2.07 -1.94 -0.80 116.25 118.06 3ab4 h VAL 360 Ca 0.00 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 3ab4 h VAL 360 Cb 0.00 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3ab4 h VAL 360 CO 0.00 0.19 -0.15 0.71 0.02 0.00 0.00 177.57 178.34 3ab4 h THR 361 N 0.16 1.25 -0.39 2.57 1.35 -1.93 0.15 112.91 116.07 3ab4 h THR 361 Ca 0.07 -1.12 0.06 0.00 -0.55 0.00 0.00 66.41 64.87 3ab4 h THR 361 Cb 0.24 1.17 -0.05 0.00 -1.73 0.00 0.00 68.15 67.77 3ab4 h THR 361 CO -0.00 0.37 0.09 0.00 -0.25 0.00 0.00 175.52 175.73 3ab4 h ALA 362 N 1.32 0.43 0.00 6.62 0.00 -1.93 -0.15 119.26 125.56 3ab4 h ALA 362 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ab4 h ALA 362 Cb 0.56 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ab4 h ALA 362 CO 0.04 -0.31 0.00 0.93 0.00 0.00 0.00 179.25 179.91 3ab4 h GLU 363 N 0.23 0.00 0.16 0.00 5.08 0.01 0.24 114.58 120.30 3ab4 h GLU 363 Ca 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3ab4 h GLU 363 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3ab4 h GLU 363 CO -0.23 0.00 -0.08 0.35 -1.00 0.00 0.00 179.01 178.05 3ab4 h PHE 364 N 0.00 -0.20 -0.76 4.33 3.57 0.02 -2.48 116.94 121.42 3ab4 h PHE 364 Ca 0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3ab4 h PHE 364 Cb 0.54 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 3ab4 h PHE 364 CO 0.00 0.21 0.47 0.52 -2.23 0.00 0.00 178.31 177.28 3ab4 h MET 365 N -0.93 0.89 -0.21 1.11 2.86 -0.96 -2.32 114.93 115.37 3ab4 h MET 365 Ca -0.02 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3ab4 h MET 365 Cb 0.49 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3ab4 h MET 365 CO 0.04 0.59 -0.08 0.93 1.06 0.00 0.00 176.91 179.44 3ab4 h GLU 366 N 0.91 0.32 -0.05 1.72 5.08 -0.65 -0.93 114.58 120.99 3ab4 h GLU 366 Ca 0.31 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3ab4 h GLU 366 Cb 0.05 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ab4 h GLU 366 CO -0.12 0.42 -0.01 0.00 -1.00 0.00 0.00 179.01 178.29 3ab4 h ALA 367 N 1.62 0.06 0.00 3.43 0.00 -0.94 -1.60 119.26 121.83 3ab4 h ALA 367 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ab4 h ALA 367 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ab4 h ALA 367 CO 0.02 -0.24 0.00 -0.07 0.00 0.00 0.00 179.25 178.96 3ab4 h LEU 368 N -0.25 0.00 0.04 0.00 4.07 -1.34 -3.03 115.31 114.80 3ab4 h LEU 368 Ca 0.01 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.80 3ab4 h LEU 368 Cb 0.38 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.13 3ab4 h LEU 368 CO 0.00 0.00 -0.68 -0.09 -1.08 0.00 0.00 178.44 176.59 3ab4 h ARG 369 N 0.00 0.39 0.00 1.13 2.43 -1.02 -3.15 114.38 114.16 3ab4 h ARG 369 Ca 0.00 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3ab4 h ARG 369 Cb 0.56 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3ab4 h ARG 369 CO 0.00 1.15 0.00 -0.25 -1.51 0.00 0.00 179.97 179.36 3ab4 n ASP 370 N -4.18 0.00 -4.67 -3.80 8.00 -0.62 -4.37 116.55 106.92 3ab4 n ASP 370 Ca -0.11 0.30 -0.23 0.00 0.71 0.00 0.00 54.79 55.45 3ab4 n ASP 370 Cb 0.73 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 41.36 3ab4 n ASP 370 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ab4 s VAL 371 N -2.78 3.37 -0.86 2.53 1.01 -1.19 -5.07 120.40 117.41 3ab4 s VAL 371 Ca 0.09 -1.86 -0.25 0.00 0.00 0.00 0.00 61.98 59.96 3ab4 s VAL 371 Cb 0.08 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.61 3ab4 s VAL 371 CO 0.21 -0.33 1.43 0.54 0.00 0.00 0.00 175.10 176.95 3ab4 s ASN 372 N -3.71 6.18 -0.26 3.32 6.03 -1.26 -4.83 114.94 120.40 3ab4 s ASN 372 Ca 0.33 -0.84 -0.18 0.00 -1.03 0.00 0.00 52.86 51.14 3ab4 s ASN 372 Cb -0.05 -2.56 0.07 0.00 -3.03 0.00 0.00 41.25 35.68 3ab4 s ASN 372 CO 0.20 -1.79 0.66 0.54 -2.03 0.00 0.00 177.10 174.68 3ab4 s VAL 373 N 5.91 -0.00 -0.15 3.54 0.11 -1.19 -5.00 120.40 123.62 3ab4 s VAL 373 Ca 0.44 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.45 3ab4 s VAL 373 Cb -0.05 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 3ab4 s VAL 373 CO 0.04 0.00 0.02 0.21 -3.33 0.00 0.00 175.10 172.04 3ab4 s ASN 374 N 1.16 5.28 -0.25 3.54 2.47 -1.26 -4.51 114.94 121.36 3ab4 s ASN 374 Ca -0.06 0.03 -0.27 0.00 0.42 0.00 0.00 52.86 52.98 3ab4 s ASN 374 Cb -0.05 -1.80 0.00 0.00 -1.45 0.00 0.00 41.25 37.95 3ab4 s ASN 374 CO -0.12 0.22 0.95 -0.63 -3.72 0.00 0.00 177.10 173.80 3ab4 s ILE 375 N 0.06 4.72 -0.21 -5.21 1.09 -1.26 -4.51 121.20 115.88 3ab4 s ILE 375 Ca 0.03 1.75 0.11 0.00 -1.10 0.00 0.00 60.65 61.44 3ab4 s ILE 375 Cb -0.13 -4.24 -0.20 0.00 -1.06 0.00 0.00 42.46 36.83 3ab4 s ILE 375 CO 0.02 -0.19 -0.05 -0.62 -0.10 0.00 0.00 174.94 174.00 3ab4 n GLU 376 N 6.27 0.78 -3.94 2.79 1.02 -0.28 -5.00 120.64 122.27 3ab4 n GLU 376 Ca 0.09 0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.18 3ab4 n GLU 376 Cb 0.47 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.29 3ab4 n GLU 376 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ab4 s LEU 377 N -5.81 2.02 -0.05 -4.62 1.02 -1.18 -4.94 118.68 105.11 3ab4 s LEU 377 Ca -0.19 -0.40 0.04 0.00 0.02 0.00 0.00 54.13 53.61 3ab4 s LEU 377 Cb 0.07 0.28 -0.00 0.00 0.02 0.00 0.00 46.19 46.56 3ab4 s LEU 377 CO 0.69 -0.32 -0.17 -0.63 0.02 0.00 0.00 176.35 175.94 3ab4 s ILE 378 N -1.41 1.47 0.03 -0.59 1.01 -1.26 -1.01 121.20 119.44 3ab4 s ILE 378 Ca -0.15 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3ab4 s ILE 378 Cb -0.09 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 3ab4 s ILE 378 CO -0.00 0.42 -0.05 -0.55 0.00 0.00 0.00 174.94 174.76 3ab4 s SER 379 N 0.14 0.54 0.02 3.58 0.15 0.21 -5.01 113.70 113.33 3ab4 s SER 379 Ca -0.07 -0.56 -0.14 0.00 0.70 0.00 0.00 55.95 55.89 3ab4 s SER 379 Cb -0.13 0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.28 3ab4 s SER 379 CO 0.03 -0.28 0.30 -0.89 1.20 0.00 0.00 173.24 173.61 3ab4 s THR 380 N -1.59 0.07 0.12 6.45 2.01 -1.26 -0.56 115.64 120.88 3ab4 s THR 380 Ca -0.12 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.30 3ab4 s THR 380 Cb -0.09 -0.79 -0.00 0.00 0.01 0.00 0.00 72.50 71.62 3ab4 s THR 380 CO -0.01 -0.33 0.05 -1.54 -0.69 0.00 0.00 174.62 172.10 3ab4 n SER 381 N 0.89 0.89 -0.29 3.53 3.41 -0.59 -4.98 113.62 116.48 3ab4 n SER 381 Ca -0.20 -1.63 0.06 0.00 -0.26 0.00 0.00 58.87 56.84 3ab4 n SER 381 Cb 0.58 0.32 0.21 0.00 -0.26 0.00 0.00 64.21 65.06 3ab4 n SER 381 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3ab4 h GLU 382 N 0.00 0.64 0.00 4.33 9.09 -2.00 -3.17 114.58 123.48 3ab4 h GLU 382 Ca -0.09 -0.04 -0.04 0.00 0.05 0.00 0.00 59.36 59.25 3ab4 h GLU 382 Cb 0.35 -0.14 -0.08 0.00 -1.65 0.00 0.00 28.75 27.23 3ab4 h GLU 382 CO 0.14 0.42 -0.60 0.44 0.05 0.00 0.00 179.01 179.47 3ab4 n ILE 383 N -4.84 1.76 -3.72 -1.06 -0.00 -1.26 -4.18 119.36 106.06 3ab4 n ILE 383 Ca 0.16 -2.77 -0.12 0.00 -0.00 0.00 0.00 62.75 60.02 3ab4 n ILE 383 Cb 0.40 0.01 -0.11 0.00 -0.00 0.00 0.00 39.64 39.94 3ab4 n ILE 383 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 3ab4 s ARG 384 N -2.58 0.36 -0.24 6.28 3.52 -1.20 -1.05 118.95 124.04 3ab4 s ARG 384 Ca 0.37 0.66 -0.07 0.00 -0.13 0.00 0.00 55.73 56.56 3ab4 s ARG 384 Cb 0.37 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.75 3ab4 s ARG 384 CO -0.09 -0.13 0.05 0.42 -0.81 0.00 0.00 175.30 174.74 3ab4 s ILE 385 N 1.05 4.13 0.00 4.11 1.01 -0.54 -1.54 121.20 129.42 3ab4 s ILE 385 Ca -0.07 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.43 3ab4 s ILE 385 Cb -0.07 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 3ab4 s ILE 385 CO -0.08 0.36 -0.25 -0.44 0.00 0.00 0.00 174.94 174.53 3ab4 s SER 386 N 1.54 3.23 0.01 3.58 0.01 0.28 -1.22 113.70 121.13 3ab4 s SER 386 Ca 0.06 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.85 3ab4 s SER 386 Cb -0.15 -0.39 -0.01 0.00 0.21 0.00 0.00 66.02 65.68 3ab4 s SER 386 CO 0.02 0.30 -0.04 -0.69 0.41 0.00 0.00 173.24 173.24 3ab4 s VAL 387 N -0.71 0.30 -0.31 3.43 1.01 -1.00 -0.62 120.40 122.51 3ab4 s VAL 387 Ca 0.11 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 3ab4 s VAL 387 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 3ab4 s VAL 387 CO 0.01 -0.10 0.19 -0.76 0.00 0.00 0.00 175.10 174.43 3ab4 s LEU 388 N -0.59 4.16 0.42 3.92 1.43 -0.18 -2.83 118.68 125.01 3ab4 s LEU 388 Ca -0.04 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 3ab4 s LEU 388 Cb -0.04 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 3ab4 s LEU 388 CO -0.00 -0.15 0.07 0.27 0.23 0.00 0.00 176.35 176.77 3ab4 s ILE 389 N 1.69 0.97 0.09 -0.59 -0.00 -1.14 -1.13 121.20 121.10 3ab4 s ILE 389 Ca 0.06 -2.00 -0.30 0.00 -0.00 0.00 0.00 60.65 58.41 3ab4 s ILE 389 Cb -0.17 -2.44 -0.06 0.00 -0.00 0.00 0.00 42.46 39.79 3ab4 s ILE 389 CO 0.09 0.00 1.08 -0.13 -0.00 0.00 0.00 174.94 175.98 3ab4 s ARG 390 N -3.79 4.55 0.48 0.37 0.52 -1.26 0.06 118.95 119.88 3ab4 s ARG 390 Ca 0.23 1.63 0.24 0.00 -0.52 0.00 0.00 55.73 57.31 3ab4 s ARG 390 Cb 0.04 -3.35 1.29 0.00 0.52 0.00 0.00 34.95 33.45 3ab4 s ARG 390 CO 0.12 -0.03 1.88 1.05 0.02 0.00 0.00 175.30 178.33 3ab4 h GLU 391 N 6.07 0.19 -0.07 3.54 4.11 -1.43 0.88 114.58 127.87 3ab4 h GLU 391 Ca -0.43 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.01 3ab4 h GLU 391 Cb 1.21 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3ab4 h GLU 391 CO 0.76 0.12 -0.02 0.38 0.07 0.00 0.00 179.01 180.32 3ab4 h ASP 392 N 0.19 -0.08 0.25 3.06 2.03 -1.91 -2.22 116.42 117.74 3ab4 h ASP 392 Ca 0.44 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 3ab4 h ASP 392 Cb 1.42 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.97 3ab4 h ASP 392 CO -0.09 -0.03 0.00 0.47 -1.03 0.00 0.00 179.24 178.55 3ab4 n ASP 393 N -5.14 0.00 0.24 4.15 8.00 0.28 -4.16 116.55 119.93 3ab4 n ASP 393 Ca -0.05 -0.07 -0.12 0.00 0.71 0.00 0.00 54.79 55.25 3ab4 n ASP 393 Cb 0.07 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.88 3ab4 n ASP 393 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ab4 h LEU 394 N 0.00 -0.78 -0.89 0.64 5.85 -1.15 -0.86 115.31 118.12 3ab4 h LEU 394 Ca 0.00 0.05 0.24 0.00 0.84 0.00 0.00 57.88 59.01 3ab4 h LEU 394 Cb 0.13 0.24 -0.15 0.00 0.37 0.00 0.00 40.66 41.24 3ab4 h LEU 394 CO 0.00 -0.45 0.14 0.44 -0.34 0.00 0.00 178.44 178.23 3ab4 h ASP 395 N -0.71 -0.19 0.11 1.25 5.19 -1.76 0.11 116.42 120.41 3ab4 h ASP 395 Ca -0.06 0.22 -0.09 0.00 -0.62 0.00 0.00 57.03 56.48 3ab4 h ASP 395 Cb 0.58 0.35 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 3ab4 h ASP 395 CO 0.04 -0.23 -0.32 0.00 -3.12 0.00 0.00 179.24 175.62 3ab4 h ALA 396 N 1.83 1.16 -0.08 3.45 0.00 -1.76 -2.62 119.26 121.25 3ab4 h ALA 396 Ca 0.55 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ab4 h ALA 396 Cb 1.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3ab4 h ALA 396 CO -0.74 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.06 3ab4 h ALA 397 N 1.39 0.10 -0.70 0.00 0.00 0.65 -2.64 119.26 118.07 3ab4 h ALA 397 Ca 0.04 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.89 3ab4 h ALA 397 Cb 0.70 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 3ab4 h ALA 397 CO 0.05 -0.22 0.27 0.00 0.00 0.00 0.00 179.25 179.35 3ab4 h ALA 398 N 0.73 0.95 0.23 0.00 0.00 -1.23 -1.93 119.26 118.01 3ab4 h ALA 398 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ab4 h ALA 398 Cb 0.34 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3ab4 h ALA 398 CO 0.00 -0.19 -0.45 -0.09 0.00 0.00 0.00 179.25 178.52 3ab4 h ARG 399 N 0.44 -0.71 -0.33 0.00 9.65 -1.37 -0.69 114.38 121.37 3ab4 h ARG 399 Ca 0.37 0.05 0.03 0.00 -1.10 0.00 0.00 59.98 59.33 3ab4 h ARG 399 Cb 0.52 0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.23 3ab4 h ARG 399 CO -0.36 -0.47 0.14 0.00 2.80 0.00 0.00 179.97 182.07 3ab4 h ALA 400 N -0.83 0.39 -0.62 2.80 0.00 -1.23 -0.80 119.26 118.97 3ab4 h ALA 400 Ca -0.02 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3ab4 h ALA 400 Cb 0.69 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 3ab4 h ALA 400 CO -0.17 -0.25 0.19 -0.07 0.00 0.00 0.00 179.25 178.94 3ab4 h LEU 401 N 0.29 0.12 -0.50 0.00 4.07 -1.26 0.49 115.31 118.52 3ab4 h LEU 401 Ca 0.14 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 3ab4 h LEU 401 Cb 0.09 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 3ab4 h LEU 401 CO -0.13 0.07 0.27 -0.74 -1.08 0.00 0.00 178.44 176.83 3ab4 h HIS 402 N 0.34 0.70 -0.11 1.13 2.76 -0.04 -2.15 115.15 117.78 3ab4 h HIS 402 Ca 0.32 -0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 58.27 3ab4 h HIS 402 Cb 0.45 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.19 3ab4 h HIS 402 CO -0.21 0.53 -0.75 1.49 -1.30 0.00 0.00 177.93 177.69 3ab4 h GLU 403 N 0.66 0.55 0.11 5.26 4.57 -0.50 -2.70 114.58 122.54 3ab4 h GLU 403 Ca 0.17 -0.45 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 3ab4 h GLU 403 Cb 0.07 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3ab4 h GLU 403 CO -0.03 1.08 -0.05 0.37 -1.18 0.00 0.00 179.01 179.20 3ab4 h GLN 404 N 0.38 -0.15 -0.01 1.92 5.75 0.12 -3.09 115.11 120.04 3ab4 h GLN 404 Ca -0.04 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3ab4 h GLN 404 Cb 1.35 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.93 3ab4 h GLN 404 CO 0.14 -0.04 -0.03 1.19 -2.65 0.00 0.00 178.83 177.44 3ab4 n PHE 405 N -5.13 0.00 -3.62 3.99 3.72 -0.82 -4.33 117.46 111.27 3ab4 n PHE 405 Ca -0.08 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.02 3ab4 n PHE 405 Cb 0.11 -0.02 -0.13 0.00 -0.94 0.00 0.00 39.48 38.50 3ab4 n PHE 405 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3ab4 s GLN 406 N -2.07 0.96 0.00 -1.08 -0.21 -1.02 -4.97 119.66 111.27 3ab4 s GLN 406 Ca 0.38 -1.67 0.00 0.00 0.02 0.00 0.00 55.36 54.09 3ab4 s GLN 406 Cb 0.21 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 32.29 3ab4 s GLN 406 CO 0.37 -1.16 0.00 1.47 -2.12 0.00 0.00 175.29 173.84