#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a79 n SER 34 N 0.00 -6.99 -4.56 -1.84 2.88 -1.26 -4.33 113.62 97.52 3a79 n SER 34 Ca 0.00 -0.38 -0.27 0.00 -1.33 0.00 0.00 58.87 56.89 3a79 n SER 34 Cb 0.00 -4.62 -0.09 0.00 -0.75 0.00 0.00 64.21 58.75 3a79 n SER 34 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 3a79 s MET 35 N -3.76 2.03 -0.10 -1.46 0.00 -1.26 -1.56 119.30 113.19 3a79 s MET 35 Ca 0.12 -1.26 -0.02 0.00 0.00 0.00 0.00 55.69 54.53 3a79 s MET 35 Cb -0.03 -2.16 0.04 0.00 0.00 0.00 0.00 34.83 32.68 3a79 s MET 35 CO 0.78 0.44 0.01 0.08 0.00 0.00 0.00 175.02 176.33 3a79 s VAL 36 N -1.65 0.41 -0.38 10.11 1.01 -0.30 -4.96 120.40 124.64 3a79 s VAL 36 Ca 0.24 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 3a79 s VAL 36 Cb -0.09 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.67 3a79 s VAL 36 CO 0.15 0.15 0.22 -0.62 0.00 0.00 0.00 175.10 175.00 3a79 s ASP 37 N 1.95 5.78 -0.32 3.32 3.68 -1.26 -1.97 116.67 127.85 3a79 s ASP 37 Ca 0.04 -0.95 0.07 0.00 2.13 0.00 0.00 52.55 53.84 3a79 s ASP 37 Cb -0.13 -2.04 0.46 0.00 -1.45 0.00 0.00 42.92 39.75 3a79 s ASP 37 CO -0.06 -0.38 1.30 -1.22 0.13 0.00 0.00 175.17 174.94 3a79 n TYR 38 N 5.02 2.32 -2.03 -5.34 4.01 0.49 -4.99 117.16 116.64 3a79 n TYR 38 Ca -0.12 -2.16 -0.32 0.00 -0.16 0.00 0.00 57.90 55.14 3a79 n TYR 38 Cb 0.46 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3a79 n TYR 38 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3a79 s SER 39 N -3.31 6.19 0.00 7.72 1.04 -1.23 -3.72 113.70 120.39 3a79 s SER 39 Ca 0.50 1.55 0.00 0.00 0.48 0.00 0.00 55.95 58.48 3a79 s SER 39 Cb 0.41 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 64.04 3a79 s SER 39 CO 0.02 -0.89 0.00 0.59 0.98 0.00 0.00 173.24 173.94 3a79 n ASN 40 N -2.30 -4.05 -0.31 7.02 3.02 -1.05 -4.78 115.26 112.79 3a79 n ASN 40 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 3a79 n ASN 40 Cb 0.54 -2.84 0.00 0.00 -0.61 0.00 0.00 39.78 36.87 3a79 n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3a79 n ARG 41 N 0.38 0.88 -1.88 3.52 5.12 -1.24 -4.86 116.66 118.57 3a79 n ARG 41 Ca 0.00 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.75 3a79 n ARG 41 Cb 0.34 -1.27 -0.04 0.00 -1.16 0.00 0.00 32.46 30.32 3a79 n ARG 41 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3a79 n ASN 42 N -0.15 -4.60 -4.70 0.55 3.02 -1.26 -4.92 115.26 103.20 3a79 n ASN 42 Ca 0.00 0.27 -0.29 0.00 -0.03 0.00 0.00 54.58 54.54 3a79 n ASN 42 Cb 0.14 -4.03 0.17 0.00 -0.61 0.00 0.00 39.78 35.45 3a79 n ASN 42 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a79 s LEU 43 N -4.89 1.69 0.00 3.41 1.43 -1.26 -4.69 118.68 114.38 3a79 s LEU 43 Ca 0.00 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 3a79 s LEU 43 Cb 0.00 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.88 3a79 s LEU 43 CO 0.00 -3.00 0.00 0.41 0.23 0.00 0.00 176.35 173.99 3a79 n THR 44 N -4.08 0.00 -4.51 5.49 -1.04 -1.26 -1.63 114.28 107.25 3a79 n THR 44 Ca 0.05 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.82 3a79 n THR 44 Cb 0.58 -0.08 -0.09 0.00 -1.82 0.00 0.00 70.33 68.92 3a79 n THR 44 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 3a79 s HIS 45 N -1.09 1.86 -0.56 -1.42 0.00 -1.26 -4.26 115.29 108.56 3a79 s HIS 45 Ca 0.00 -1.13 -0.21 0.00 -3.00 0.00 0.00 55.06 50.73 3a79 s HIS 45 Cb 0.00 -1.24 0.07 0.00 -4.00 0.00 0.00 32.58 27.41 3a79 s HIS 45 CO 0.00 -0.13 0.77 0.08 -1.00 0.00 0.00 174.74 174.45 3a79 s VAL 46 N -3.23 4.66 -0.57 -5.38 1.01 -1.26 -4.95 120.40 110.68 3a79 s VAL 46 Ca 0.28 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 3a79 s VAL 46 Cb 0.05 -4.46 -0.14 0.00 0.00 0.00 0.00 36.38 31.83 3a79 s VAL 46 CO 0.14 -1.06 1.64 -2.65 0.00 0.00 0.00 175.10 173.16 3a79 n PRO 47 N 6.75 0.00 0.00 2.72 -0.02 -1.26 -4.76 135.00 138.43 3a79 n PRO 47 Ca -0.05 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.49 3a79 n PRO 47 Cb 0.45 -0.94 0.34 0.00 -0.02 0.00 0.00 33.50 33.33 3a79 n PRO 47 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3a79 n LYS 48 N 5.23 0.25 0.06 -0.52 0.00 -1.26 -2.86 118.16 119.07 3a79 n LYS 48 Ca 0.40 0.12 0.06 0.00 -0.00 0.00 0.00 58.31 58.89 3a79 n LYS 48 Cb 0.01 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.49 3a79 n LYS 48 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3a79 n ASP 49 N -1.20 0.78 -4.33 -5.58 5.68 -1.26 -5.00 116.55 105.63 3a79 n ASP 49 Ca 0.07 0.32 -0.40 0.00 -0.50 0.00 0.00 54.79 54.28 3a79 n ASP 49 Cb 0.08 0.45 0.01 0.00 -1.14 0.00 0.00 41.12 40.53 3a79 n ASP 49 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3a79 n LEU 50 N -2.74 -2.19 -4.68 -2.12 4.77 -1.13 -4.84 117.00 104.07 3a79 n LEU 50 Ca -0.05 0.74 -0.44 0.00 -0.03 0.00 0.00 56.01 56.23 3a79 n LEU 50 Cb 0.68 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 3a79 n LEU 50 CO 0.42 -4.08 1.46 -2.65 -1.33 0.00 0.00 177.39 171.21 3a79 n PRO 51 N 1.06 2.56 -0.35 3.23 -0.02 -1.26 -4.90 135.00 135.32 3a79 n PRO 51 Ca 0.10 0.93 0.11 0.00 -2.02 0.00 0.00 63.50 62.62 3a79 n PRO 51 Cb 0.44 -2.81 0.30 0.00 -0.02 0.00 0.00 33.50 31.41 3a79 n PRO 51 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3a79 h PRO 52 N 8.71 0.82 -0.78 0.52 0.11 -1.89 -1.79 132.00 137.70 3a79 h PRO 52 Ca -0.47 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3a79 h PRO 52 Cb 1.24 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3a79 h PRO 52 CO 0.94 0.54 0.03 0.54 -0.21 0.00 0.00 178.00 179.84 3a79 n ARG 53 N -4.69 3.15 -1.71 1.05 1.74 -1.26 -3.99 116.66 110.95 3a79 n ARG 53 Ca 0.21 -1.83 -0.37 0.00 -0.77 0.00 0.00 57.85 55.09 3a79 n ARG 53 Cb 0.49 -1.93 0.06 0.00 -1.02 0.00 0.00 32.46 30.06 3a79 n ARG 53 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3a79 n THR 54 N 0.29 4.54 -0.01 0.55 -1.04 -0.68 -4.85 114.28 113.08 3a79 n THR 54 Ca 0.18 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.05 61.67 3a79 n THR 54 Cb 0.84 -1.48 -0.01 0.00 -1.82 0.00 0.00 70.33 67.85 3a79 n THR 54 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3a79 n LYS 55 N -1.57 0.07 -4.06 -2.82 5.02 -0.88 -3.32 118.16 110.60 3a79 n LYS 55 Ca 0.14 0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 56.12 3a79 n LYS 55 Cb 0.47 -1.02 -0.15 0.00 -0.02 0.00 0.00 35.03 34.31 3a79 n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a79 s ALA 56 N -2.06 2.52 -0.15 7.82 0.00 -0.60 -0.03 121.76 129.26 3a79 s ALA 56 Ca -0.04 -1.50 -0.00 0.00 0.00 0.00 0.00 51.96 50.42 3a79 s ALA 56 Cb 0.01 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 3a79 s ALA 56 CO 0.06 -0.80 -0.13 -1.17 0.00 0.00 0.00 175.76 173.72 3a79 s LEU 57 N 1.22 2.62 -0.19 0.00 2.96 -0.02 -1.14 118.68 124.13 3a79 s LEU 57 Ca -0.02 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3a79 s LEU 57 Cb -0.17 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 3a79 s LEU 57 CO -0.08 0.10 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.40 3a79 s SER 58 N 0.71 3.92 -0.15 3.68 0.15 -0.83 -0.88 113.70 120.31 3a79 s SER 58 Ca -0.06 -0.45 0.18 0.00 0.70 0.00 0.00 55.95 56.33 3a79 s SER 58 Cb -0.15 -1.64 0.35 0.00 -1.71 0.00 0.00 66.02 62.87 3a79 s SER 58 CO 0.02 0.03 1.22 0.18 1.20 0.00 0.00 173.24 175.89 3a79 n LEU 59 N 4.45 2.74 -4.47 3.45 4.77 -0.05 -0.38 117.00 127.52 3a79 n LEU 59 Ca -0.19 -3.11 -0.35 0.00 -0.03 0.00 0.00 56.01 52.33 3a79 n LEU 59 Cb 0.51 -0.46 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 3a79 n LEU 59 CO 0.28 0.73 0.09 -0.24 -1.33 0.00 0.00 177.39 176.93 3a79 n SER 60 N -1.21 -1.18 -3.81 -1.43 2.88 -1.13 -3.44 113.62 104.30 3a79 n SER 60 Ca 0.18 0.53 -0.24 0.00 -1.33 0.00 0.00 58.87 58.01 3a79 n SER 60 Cb 0.71 -1.24 0.02 0.00 -0.75 0.00 0.00 64.21 62.94 3a79 n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a79 n GLN 61 N -1.15 -4.58 0.00 -1.46 3.00 -0.77 -2.99 117.38 109.43 3a79 n GLN 61 Ca 0.10 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 3a79 n GLN 61 Cb 0.51 -5.07 0.00 0.00 0.00 0.00 0.00 30.24 25.68 3a79 n GLN 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3a79 n ASN 62 N -2.99 1.08 -1.43 1.08 5.03 -1.19 -2.54 115.26 114.30 3a79 n ASN 62 Ca -0.24 0.00 -0.00 0.00 0.87 0.00 0.00 54.58 55.21 3a79 n ASN 62 Cb 0.65 0.00 0.10 0.00 -1.02 0.00 0.00 39.78 39.51 3a79 n ASN 62 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3a79 n SER 63 N 0.00 1.95 -4.77 6.41 7.64 -0.65 -4.52 113.62 119.69 3a79 n SER 63 Ca 0.00 -2.99 -0.40 0.00 1.01 0.00 0.00 58.87 56.49 3a79 n SER 63 Cb 0.00 -0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 62.78 3a79 n SER 63 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3a79 s ILE 64 N -2.45 2.45 0.00 0.44 1.01 -1.23 -4.64 121.20 116.77 3a79 s ILE 64 Ca 0.37 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3a79 s ILE 64 Cb 0.38 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.60 3a79 s ILE 64 CO -0.08 0.07 0.00 -1.20 0.00 0.00 0.00 174.94 173.73 3a79 n SER 65 N 0.18 3.26 -4.16 3.58 7.64 -1.26 -1.64 113.62 121.23 3a79 n SER 65 Ca 0.03 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.74 3a79 n SER 65 Cb 0.42 0.23 -0.12 0.00 -1.01 0.00 0.00 64.21 63.74 3a79 n SER 65 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3a79 s GLU 66 N -1.70 0.78 -0.47 1.43 -1.05 -1.26 -3.44 118.70 112.99 3a79 s GLU 66 Ca 0.00 -0.95 0.03 0.00 -0.15 0.00 0.00 54.97 53.89 3a79 s GLU 66 Cb 0.00 -0.71 0.13 0.00 -0.44 0.00 0.00 34.13 33.12 3a79 s GLU 66 CO 0.00 0.15 0.25 -1.17 0.95 0.00 0.00 175.26 175.44 3a79 s LEU 67 N -1.82 3.27 0.57 1.83 2.96 -1.26 -4.95 118.68 119.28 3a79 s LEU 67 Ca -0.02 -2.79 -0.10 0.00 -0.22 0.00 0.00 54.13 51.00 3a79 s LEU 67 Cb -0.09 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 3a79 s LEU 67 CO 0.02 -0.25 0.95 -0.13 -1.32 0.00 0.00 176.35 175.62 3a79 s ARG 68 N 0.09 3.61 0.12 1.98 1.81 -1.26 -4.80 118.95 120.50 3a79 s ARG 68 Ca 0.18 0.61 -0.24 0.00 -1.72 0.00 0.00 55.73 54.56 3a79 s ARG 68 Cb -0.24 -2.17 -0.06 0.00 -0.45 0.00 0.00 34.95 32.02 3a79 s ARG 68 CO -0.00 -0.44 1.68 1.98 -0.68 0.00 0.00 175.30 177.84 3a79 h MET 69 N -0.04 -0.22 0.00 3.54 4.05 -1.95 -1.40 114.93 118.91 3a79 h MET 69 Ca -0.45 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 3a79 h MET 69 Cb 1.19 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 3a79 h MET 69 CO 0.62 -0.15 0.00 -2.30 0.23 0.00 0.00 176.91 175.31 3a79 n PRO 70 N -5.28 0.00 0.12 0.39 -0.02 -1.26 -0.64 135.00 128.31 3a79 n PRO 70 Ca -0.05 0.43 -0.02 0.00 -2.02 0.00 0.00 63.50 61.84 3a79 n PRO 70 Cb 0.20 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.27 3a79 n PRO 70 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3a79 h ASP 71 N 0.00 0.00 0.00 2.55 5.19 -1.62 -3.38 116.42 119.16 3a79 h ASP 71 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3a79 h ASP 71 Cb 0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.52 3a79 h ASP 71 CO 0.00 0.69 0.00 2.30 -3.12 0.00 0.00 179.24 179.11 3a79 n ILE 72 N -3.60 0.10 -0.28 0.35 -5.35 0.18 -4.75 119.36 106.01 3a79 n ILE 72 Ca -0.01 -0.25 0.09 0.00 -0.27 0.00 0.00 62.75 62.31 3a79 n ILE 72 Cb 0.70 1.39 0.21 0.00 -1.74 0.00 0.00 39.64 40.21 3a79 n ILE 72 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3a79 h SER 73 N 0.00 -0.26 0.80 7.28 0.02 -1.11 -2.61 113.55 117.67 3a79 h SER 73 Ca 0.00 0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 3a79 h SER 73 Cb 0.42 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 3a79 h SER 73 CO 0.00 -0.19 -0.33 2.19 -1.14 0.00 0.00 176.83 177.36 3a79 h PHE 74 N 0.13 0.00 0.00 3.45 -5.15 -1.86 -3.36 116.94 110.15 3a79 h PHE 74 Ca 0.48 0.00 -0.68 0.00 -0.20 0.00 0.00 57.97 57.57 3a79 h PHE 74 Cb 0.90 0.00 0.01 0.00 0.22 0.00 0.00 35.95 37.08 3a79 h PHE 74 CO -0.39 0.33 3.59 1.28 -2.00 0.00 0.00 178.31 181.13 3a79 n LEU 75 N -3.55 8.05 0.22 2.10 4.77 -0.99 -4.71 117.00 122.90 3a79 n LEU 75 Ca -0.00 -4.27 0.15 0.00 -0.03 0.00 0.00 56.01 51.86 3a79 n LEU 75 Cb 0.47 -1.59 0.77 0.00 -2.33 0.00 0.00 43.42 40.75 3a79 n LEU 75 CO 0.36 1.71 0.95 0.77 -1.33 0.00 0.00 177.39 179.85 3a79 h SER 76 N 5.38 0.00 -0.02 -1.43 4.64 -1.71 -2.23 113.55 118.18 3a79 h SER 76 Ca 0.77 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.09 3a79 h SER 76 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3a79 h SER 76 CO 1.82 0.00 -0.19 1.21 -0.87 0.00 0.00 176.83 178.81 3a79 n GLU 77 N -2.56 1.70 -1.66 4.77 4.07 -1.26 -4.46 120.64 121.24 3a79 n GLU 77 Ca -0.01 -1.38 -0.49 0.00 -0.06 0.00 0.00 57.16 55.21 3a79 n GLU 77 Cb 0.09 -1.40 -0.05 0.00 -0.06 0.00 0.00 31.44 30.02 3a79 n GLU 77 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3a79 n LEU 78 N 0.63 2.82 -0.08 4.31 7.94 -0.84 -4.63 117.00 127.15 3a79 n LEU 78 Ca 0.10 1.06 -0.10 0.00 -1.11 0.00 0.00 56.01 55.96 3a79 n LEU 78 Cb 0.48 -1.34 -0.07 0.00 0.53 0.00 0.00 43.42 43.02 3a79 n LEU 78 CO 0.18 -0.40 -0.99 0.54 -1.11 0.00 0.00 177.39 175.61 3a79 n ARG 79 N 4.22 0.49 -5.09 1.96 1.74 0.96 -2.13 116.66 118.81 3a79 n ARG 79 Ca 0.20 0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 57.06 3a79 n ARG 79 Cb 0.25 -1.31 -0.17 0.00 -1.02 0.00 0.00 32.46 30.22 3a79 n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3a79 s VAL 80 N -2.31 1.85 -0.16 1.55 1.01 -0.41 -0.19 120.40 121.74 3a79 s VAL 80 Ca -0.20 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 3a79 s VAL 80 Cb 0.05 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.88 3a79 s VAL 80 CO 0.36 0.51 0.03 -0.22 0.00 0.00 0.00 175.10 175.79 3a79 s LEU 81 N 0.26 0.90 -0.26 3.92 2.96 0.43 -0.84 118.68 126.05 3a79 s LEU 81 Ca -0.14 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.12 3a79 s LEU 81 Cb -0.16 -0.50 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 3a79 s LEU 81 CO 0.06 -0.28 0.07 -0.13 -1.32 0.00 0.00 176.35 174.76 3a79 s ARG 82 N 1.93 3.55 -0.02 1.98 0.52 -0.06 -1.94 118.95 124.91 3a79 s ARG 82 Ca 0.01 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.69 3a79 s ARG 82 Cb -0.16 -3.34 0.04 0.00 0.52 0.00 0.00 34.95 32.01 3a79 s ARG 82 CO -0.07 -0.24 0.86 1.28 0.02 0.00 0.00 175.30 177.14 3a79 n LEU 83 N 4.92 1.23 -4.28 2.53 4.77 0.83 -0.87 117.00 126.13 3a79 n LEU 83 Ca -0.16 -1.41 -0.40 0.00 -0.03 0.00 0.00 56.01 54.02 3a79 n LEU 83 Cb 0.51 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3a79 n LEU 83 CO 0.31 0.34 -0.55 -1.54 -1.33 0.00 0.00 177.39 174.63 3a79 n SER 84 N -0.41 -3.29 -3.72 -1.43 3.41 -0.20 -3.38 113.62 104.58 3a79 n SER 84 Ca 0.02 0.70 -0.32 0.00 -0.26 0.00 0.00 58.87 59.01 3a79 n SER 84 Cb 0.42 -0.88 0.04 0.00 -0.26 0.00 0.00 64.21 63.52 3a79 n SER 84 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3a79 n HIS 85 N -1.40 -1.89 -1.95 7.33 8.25 -1.18 -1.85 115.22 122.53 3a79 n HIS 85 Ca 0.09 0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 3a79 n HIS 85 Cb 0.45 -3.31 0.00 0.00 1.12 0.00 0.00 29.99 28.25 3a79 n HIS 85 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3a79 n ASN 86 N -2.54 0.00 -0.72 0.41 4.13 -1.16 -3.05 115.26 112.32 3a79 n ASN 86 Ca -0.11 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.18 3a79 n ASN 86 Cb 0.59 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.86 3a79 n ASN 86 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3a79 n ARG 87 N 0.00 0.20 -2.16 3.52 5.12 -0.65 -4.32 116.66 118.37 3a79 n ARG 87 Ca 0.00 -1.52 -0.42 0.00 -1.93 0.00 0.00 57.85 53.98 3a79 n ARG 87 Cb 0.00 -0.52 -0.03 0.00 -1.16 0.00 0.00 32.46 30.75 3a79 n ARG 87 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3a79 s ILE 88 N -0.43 3.25 -0.26 0.55 1.01 -1.23 -4.60 121.20 119.49 3a79 s ILE 88 Ca 0.14 0.92 -0.11 0.00 0.00 0.00 0.00 60.65 61.59 3a79 s ILE 88 Cb 0.15 -3.59 -0.15 0.00 0.01 0.00 0.00 42.46 38.88 3a79 s ILE 88 CO -0.04 0.08 -0.23 0.54 0.00 0.00 0.00 174.94 175.28 3a79 n ARG 89 N 3.72 0.61 -4.20 2.79 1.74 -1.22 -2.00 116.66 118.10 3a79 n ARG 89 Ca 0.11 0.27 -0.29 0.00 -0.77 0.00 0.00 57.85 57.17 3a79 n ARG 89 Cb 0.42 -1.54 -0.09 0.00 -1.02 0.00 0.00 32.46 30.23 3a79 n ARG 89 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3a79 s SER 90 N -7.20 4.59 -0.18 0.55 0.15 -1.26 -1.74 113.70 108.62 3a79 s SER 90 Ca -0.36 -0.35 -0.03 0.00 0.70 0.00 0.00 55.95 55.91 3a79 s SER 90 Cb 0.12 -0.94 0.06 0.00 -1.71 0.00 0.00 66.02 63.55 3a79 s SER 90 CO 0.54 0.16 0.03 -0.22 1.20 0.00 0.00 173.24 174.95 3a79 s LEU 91 N -2.37 1.10 -0.44 3.45 0.20 -1.13 -4.73 118.68 114.76 3a79 s LEU 91 Ca 0.23 -0.72 -0.19 0.00 0.69 0.00 0.00 54.13 54.14 3a79 s LEU 91 Cb -0.11 -0.58 0.03 0.00 -0.43 0.00 0.00 46.19 45.10 3a79 s LEU 91 CO 0.16 -0.29 0.56 -0.62 -0.29 0.00 0.00 176.35 175.87 3a79 s ASP 92 N 1.87 6.26 0.00 3.68 -1.08 -1.26 -1.94 116.67 124.20 3a79 s ASP 92 Ca -0.00 -0.55 0.08 0.00 -0.52 0.00 0.00 52.55 51.56 3a79 s ASP 92 Cb -0.16 -2.28 0.38 0.00 -1.46 0.00 0.00 42.92 39.40 3a79 s ASP 92 CO -0.08 -0.72 1.10 0.49 0.52 0.00 0.00 175.17 176.48 3a79 n PHE 93 N 6.01 0.00 0.09 -5.34 0.99 -1.26 -1.27 117.46 116.68 3a79 n PHE 93 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.39 3a79 n PHE 93 Cb 0.47 -0.28 -0.05 0.00 -1.00 0.00 0.00 39.48 38.62 3a79 n PHE 93 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 3a79 h HIS 94 N 0.00 0.00 -1.38 1.38 2.76 -1.92 -3.25 115.15 112.75 3a79 h HIS 94 Ca 0.00 0.00 0.44 0.00 -2.20 0.00 0.00 60.37 58.61 3a79 h HIS 94 Cb 0.07 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 28.92 3a79 h HIS 94 CO 0.00 0.70 0.91 0.28 -1.30 0.00 0.00 177.93 178.53 3a79 h VAL 95 N 0.00 0.15 -0.15 5.26 2.07 -1.53 0.25 116.25 122.29 3a79 h VAL 95 Ca -0.04 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 3a79 h VAL 95 Cb 1.58 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3a79 h VAL 95 CO 0.08 0.02 0.05 0.49 0.02 0.00 0.00 177.57 178.23 3a79 n PHE 96 N -4.56 0.52 -0.32 1.57 3.01 -1.23 -4.43 117.46 112.02 3a79 n PHE 96 Ca 0.37 -0.36 0.12 0.00 1.01 0.00 0.00 57.45 58.59 3a79 n PHE 96 Cb 1.46 -0.26 0.34 0.00 -0.01 0.00 0.00 39.48 41.01 3a79 n PHE 96 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3a79 h LEU 97 N 0.90 0.74 -0.81 4.37 5.85 -0.75 -2.34 115.31 123.28 3a79 h LEU 97 Ca 0.04 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3a79 h LEU 97 Cb 1.01 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3a79 h LEU 97 CO 0.15 0.33 -0.47 0.49 -0.34 0.00 0.00 178.44 178.60 3a79 n PHE 98 N -4.65 0.00 -2.46 1.25 3.01 -1.26 -4.39 117.46 108.97 3a79 n PHE 98 Ca 0.20 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.24 3a79 n PHE 98 Cb 0.52 -0.03 0.01 0.00 -0.01 0.00 0.00 39.48 39.96 3a79 n PHE 98 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3a79 n ASN 99 N -0.28 5.97 0.00 4.37 4.13 -0.88 -4.59 115.26 123.98 3a79 n ASN 99 Ca 0.09 -3.22 0.00 0.00 1.68 0.00 0.00 54.58 53.13 3a79 n ASN 99 Cb 0.43 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.28 3a79 n ASN 99 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a79 n GLN 100 N 2.72 0.00 0.00 3.52 1.13 -1.26 -2.48 117.38 121.01 3a79 n GLN 100 Ca 0.40 0.18 0.01 0.00 -1.94 0.00 0.00 57.00 55.65 3a79 n GLN 100 Cb 0.33 -1.51 0.01 0.00 0.11 0.00 0.00 30.24 29.18 3a79 n GLN 100 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3a79 n ASP 101 N -1.17 1.01 -4.64 1.08 8.00 -1.26 -4.88 116.55 114.69 3a79 n ASP 101 Ca 0.00 -1.01 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 3a79 n ASP 101 Cb 0.01 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3a79 n ASP 101 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3a79 s LEU 102 N -0.38 4.03 -0.01 0.64 2.96 -0.91 -4.37 118.68 120.65 3a79 s LEU 102 Ca 0.02 2.14 0.06 0.00 -0.22 0.00 0.00 54.13 56.13 3a79 s LEU 102 Cb 0.01 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.09 3a79 s LEU 102 CO 0.03 -1.32 0.16 -1.84 -1.32 0.00 0.00 176.35 172.06 3a79 n GLU 103 N 7.82 1.14 -3.92 1.98 0.28 0.73 -3.54 120.64 125.13 3a79 n GLU 103 Ca 0.22 -0.04 -0.29 0.00 -0.16 0.00 0.00 57.16 56.89 3a79 n GLU 103 Cb 0.43 -1.07 -0.16 0.00 1.43 0.00 0.00 31.44 32.07 3a79 n GLU 103 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3a79 s TYR 104 N -2.25 1.85 -0.12 -1.84 6.04 -0.12 -0.34 117.35 120.58 3a79 s TYR 104 Ca -0.01 -1.17 -0.00 0.00 0.04 0.00 0.00 57.07 55.93 3a79 s TYR 104 Cb 0.04 -1.39 0.02 0.00 -1.04 0.00 0.00 41.96 39.59 3a79 s TYR 104 CO 0.25 -0.64 -0.09 -1.17 -1.54 0.00 0.00 175.55 172.36 3a79 s LEU 105 N 1.58 1.33 -0.36 6.97 2.96 0.01 -0.43 118.68 130.74 3a79 s LEU 105 Ca 0.01 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3a79 s LEU 105 Cb -0.15 -0.92 0.10 0.00 0.50 0.00 0.00 46.19 45.73 3a79 s LEU 105 CO -0.08 -0.09 0.09 -0.62 -1.32 0.00 0.00 176.35 174.33 3a79 s ASP 106 N 1.57 4.58 -0.31 3.68 2.15 -0.82 -1.19 116.67 126.34 3a79 s ASP 106 Ca 0.03 -2.22 0.09 0.00 0.43 0.00 0.00 52.55 50.88 3a79 s ASP 106 Cb -0.13 -1.52 0.54 0.00 -0.30 0.00 0.00 42.92 41.51 3a79 s ASP 106 CO -0.08 -0.36 1.53 0.52 -0.17 0.00 0.00 175.17 176.61 3a79 n VAL 107 N 4.16 2.64 -0.36 1.11 0.31 0.24 -0.12 118.33 126.31 3a79 n VAL 107 Ca 0.04 -2.58 -0.29 0.00 -0.01 0.00 0.00 64.34 61.50 3a79 n VAL 107 Cb 0.40 -0.34 0.26 0.00 -0.91 0.00 0.00 33.84 33.26 3a79 n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3a79 n SER 108 N -1.08 -3.26 -4.27 4.52 3.41 -0.99 -3.80 113.62 108.16 3a79 n SER 108 Ca 0.37 -0.57 -0.37 0.00 -0.26 0.00 0.00 58.87 58.03 3a79 n SER 108 Cb 1.13 -1.05 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 3a79 n SER 108 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3a79 n HIS 109 N -5.37 -1.28 -0.39 7.33 8.25 -0.73 -3.10 115.22 119.92 3a79 n HIS 109 Ca 0.08 0.60 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 3a79 n HIS 109 Cb 0.56 -1.76 0.00 0.00 1.12 0.00 0.00 29.99 29.91 3a79 n HIS 109 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3a79 n ASN 110 N -2.33 0.00 -1.34 0.41 4.13 -1.19 -3.01 115.26 111.92 3a79 n ASN 110 Ca 0.10 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.40 3a79 n ASN 110 Cb 0.46 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.77 3a79 n ASN 110 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3a79 n ARG 111 N 0.00 0.60 -1.64 3.52 1.74 -0.85 -4.61 116.66 115.43 3a79 n ARG 111 Ca 0.00 -2.48 -0.39 0.00 -0.77 0.00 0.00 57.85 54.21 3a79 n ARG 111 Cb 0.00 -0.57 0.03 0.00 -1.02 0.00 0.00 32.46 30.90 3a79 n ARG 111 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3a79 n LEU 112 N -0.02 3.64 0.00 0.55 4.77 -0.87 -4.42 117.00 120.65 3a79 n LEU 112 Ca 0.10 0.93 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 3a79 n LEU 112 Cb 1.00 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3a79 n LEU 112 CO -0.02 -1.45 0.00 0.00 -1.33 0.00 0.00 177.39 174.59 3a79 n GLN 113 N -0.54 1.49 -4.36 3.23 10.64 -0.71 -0.79 117.38 126.34 3a79 n GLN 113 Ca 0.11 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 55.04 3a79 n GLN 113 Cb 0.44 -0.26 -0.12 0.00 -0.86 0.00 0.00 30.24 29.44 3a79 n GLN 113 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 3a79 s ASN 114 N -0.52 2.96 -0.28 2.61 2.47 -1.24 -4.73 114.94 116.21 3a79 s ASN 114 Ca 0.00 -0.84 -0.16 0.00 0.42 0.00 0.00 52.86 52.28 3a79 s ASN 114 Cb 0.00 -0.19 0.08 0.00 -1.45 0.00 0.00 41.25 39.69 3a79 s ASN 114 CO 0.00 0.04 0.69 -0.63 -3.72 0.00 0.00 177.10 173.48 3a79 s ILE 115 N -1.77 -0.00 0.39 -5.21 1.01 -1.26 -2.86 121.20 111.50 3a79 s ILE 115 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.57 3a79 s ILE 115 Cb -0.07 -1.00 -0.12 0.00 0.01 0.00 0.00 42.46 41.28 3a79 s ILE 115 CO 0.07 0.00 0.90 -0.24 0.00 0.00 0.00 174.94 175.68 3a79 n SER 116 N 4.24 0.77 0.21 3.58 2.88 -0.82 -4.87 113.62 119.61 3a79 n SER 116 Ca -0.20 1.04 0.14 0.00 -1.33 0.00 0.00 58.87 58.52 3a79 n SER 116 Cb 0.59 -1.28 0.36 0.00 -0.75 0.00 0.00 64.21 63.13 3a79 n SER 116 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a79 s PRO 119 N 0.05 3.02 0.27 0.00 0.02 -1.26 -4.76 135.00 132.34 3a79 s PRO 119 Ca 0.15 1.90 -0.31 0.00 0.02 0.00 0.00 61.00 62.77 3a79 s PRO 119 Cb -0.23 -2.00 -0.12 0.00 0.02 0.00 0.00 34.50 32.17 3a79 s PRO 119 CO -0.03 -1.19 1.64 0.00 -0.33 0.00 0.00 177.00 177.10 3a79 n MET 120 N -1.46 2.74 0.10 5.54 0.00 -1.26 -4.86 117.12 117.91 3a79 n MET 120 Ca 0.13 0.98 0.08 0.00 0.00 0.00 0.00 57.70 58.89 3a79 n MET 120 Cb 0.49 -2.78 0.40 0.00 0.00 0.00 0.00 33.22 31.32 3a79 n MET 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3a79 n ALA 121 N 2.76 1.32 0.87 3.17 0.00 -1.26 -2.04 120.51 125.32 3a79 n ALA 121 Ca 0.11 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.75 3a79 n ALA 121 Cb 0.36 -1.26 0.53 0.00 0.00 0.00 0.00 19.45 19.08 3a79 n ALA 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3a79 n SER 122 N -1.98 0.00 -4.76 0.00 2.88 -1.26 -4.51 113.62 103.98 3a79 n SER 122 Ca 0.01 0.45 -0.41 0.00 -1.33 0.00 0.00 58.87 57.58 3a79 n SER 122 Cb 0.11 -0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 63.07 3a79 n SER 122 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3a79 s LEU 123 N -2.96 4.37 0.00 2.46 1.02 -0.87 -4.12 118.68 118.59 3a79 s LEU 123 Ca 0.13 2.82 0.00 0.00 0.02 0.00 0.00 54.13 57.10 3a79 s LEU 123 Cb 0.16 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.73 3a79 s LEU 123 CO 0.44 -0.74 0.00 0.54 0.02 0.00 0.00 176.35 176.60 3a79 n ARG 124 N 1.42 1.73 -3.56 1.70 1.74 0.54 -3.05 116.66 117.18 3a79 n ARG 124 Ca 0.04 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.89 3a79 n ARG 124 Cb 0.40 -0.87 -0.15 0.00 -1.02 0.00 0.00 32.46 30.81 3a79 n ARG 124 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3a79 s HIS 125 N -1.52 0.01 -0.23 -1.55 5.04 -0.32 -1.20 115.29 115.52 3a79 s HIS 125 Ca 0.00 -0.12 0.02 0.00 -1.54 0.00 0.00 55.06 53.41 3a79 s HIS 125 Cb 0.00 -0.57 0.05 0.00 0.04 0.00 0.00 32.58 32.10 3a79 s HIS 125 CO 0.00 -0.56 -0.10 -1.17 -2.34 0.00 0.00 174.74 170.57 3a79 s LEU 126 N 2.21 2.89 -0.31 8.88 2.96 -0.17 -0.81 118.68 134.33 3a79 s LEU 126 Ca 0.04 -1.18 -0.03 0.00 -0.22 0.00 0.00 54.13 52.74 3a79 s LEU 126 Cb -0.16 -1.39 0.04 0.00 0.50 0.00 0.00 46.19 45.18 3a79 s LEU 126 CO -0.11 -0.18 0.03 -0.62 -1.32 0.00 0.00 176.35 174.15 3a79 s ASP 127 N 1.25 4.99 -0.16 3.68 -1.08 -0.33 -1.20 116.67 123.82 3a79 s ASP 127 Ca -0.06 -1.18 0.16 0.00 -0.52 0.00 0.00 52.55 50.96 3a79 s ASP 127 Cb -0.18 -1.76 0.35 0.00 -1.46 0.00 0.00 42.92 39.87 3a79 s ASP 127 CO -0.07 -0.27 1.21 0.18 0.52 0.00 0.00 175.17 176.74 3a79 n LEU 128 N 4.69 2.65 -4.76 -1.34 4.77 0.68 -0.59 117.00 123.11 3a79 n LEU 128 Ca -0.13 -3.31 -0.30 0.00 -0.03 0.00 0.00 56.01 52.24 3a79 n LEU 128 Cb 0.44 -0.47 0.11 0.00 -2.33 0.00 0.00 43.42 41.17 3a79 n LEU 128 CO 0.28 0.90 0.69 -0.94 -1.33 0.00 0.00 177.39 176.99 3a79 s SER 129 N -2.87 4.08 -1.13 -1.43 1.04 -1.09 -3.87 113.70 108.43 3a79 s SER 129 Ca 0.35 1.50 -0.21 0.00 0.48 0.00 0.00 55.95 58.06 3a79 s SER 129 Cb 0.31 -2.21 -0.01 0.00 0.10 0.00 0.00 66.02 64.22 3a79 s SER 129 CO 0.01 -2.26 0.79 0.49 0.98 0.00 0.00 173.24 173.25 3a79 n PHE 130 N -3.64 -1.90 -3.33 5.02 3.01 -1.26 -2.06 117.46 113.30 3a79 n PHE 130 Ca 0.07 0.44 0.00 0.00 1.01 0.00 0.00 57.45 58.97 3a79 n PHE 130 Cb 0.55 -3.39 0.00 0.00 -0.01 0.00 0.00 39.48 36.63 3a79 n PHE 130 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3a79 n ASN 131 N -2.62 1.10 -2.22 4.37 4.13 -1.26 -1.78 115.26 116.98 3a79 n ASN 131 Ca -0.09 -0.33 -0.28 0.00 1.68 0.00 0.00 54.58 55.55 3a79 n ASN 131 Cb 0.59 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.86 3a79 n ASN 131 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3a79 n ASP 132 N -0.63 5.70 -4.72 6.41 2.03 0.03 -4.85 116.55 120.52 3a79 n ASP 132 Ca 0.00 -3.76 -0.42 0.00 0.52 0.00 0.00 54.79 51.13 3a79 n ASP 132 Cb 0.00 -0.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.82 3a79 n ASP 132 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3a79 s PHE 133 N -3.67 3.38 0.03 -0.67 0.40 -1.16 -4.50 117.98 111.78 3a79 s PHE 133 Ca 0.54 1.20 -0.20 0.00 -0.60 0.00 0.00 56.93 57.86 3a79 s PHE 133 Cb 0.43 -3.50 -0.11 0.00 0.51 0.00 0.00 43.02 40.35 3a79 s PHE 133 CO -0.04 -1.61 1.27 0.22 0.70 0.00 0.00 175.22 175.76 3a79 h ASP 134 N 6.71 -0.62 -4.28 1.36 -0.00 -1.88 -3.17 116.42 114.54 3a79 h ASP 134 Ca -0.42 0.02 -0.60 0.00 -0.00 0.00 0.00 57.03 56.03 3a79 h ASP 134 Cb 1.21 0.16 -0.26 0.00 -0.00 0.00 0.00 39.33 40.45 3a79 h ASP 134 CO 0.82 -0.44 -0.85 0.54 -0.00 0.00 0.00 179.24 179.32 3a79 s VAL 135 N -4.55 1.76 -0.33 2.25 0.11 -1.26 -1.08 120.40 117.30 3a79 s VAL 135 Ca -0.11 -1.25 -0.29 0.00 -2.93 0.00 0.00 61.98 57.40 3a79 s VAL 135 Cb 0.01 -1.52 -0.13 0.00 -1.53 0.00 0.00 36.38 33.21 3a79 s VAL 135 CO 0.32 0.22 1.27 0.18 -3.33 0.00 0.00 175.10 173.77 3a79 n LEU 136 N 1.80 0.60 -0.09 2.54 4.32 -1.26 -4.79 117.00 120.12 3a79 n LEU 136 Ca -0.17 0.56 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 3a79 n LEU 136 Cb 0.53 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 3a79 n LEU 136 CO 0.23 -0.52 0.33 -2.65 -1.22 0.00 0.00 177.39 173.56 3a79 n PRO 137 N 4.08 0.73 -2.24 3.23 -0.02 -1.26 -4.80 135.00 134.72 3a79 n PRO 137 Ca 0.30 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.38 3a79 n PRO 137 Cb -0.03 -1.07 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 3a79 n PRO 137 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3a79 s VAL 138 N -1.82 3.61 0.74 -1.45 1.01 -1.26 -4.99 120.40 116.24 3a79 s VAL 138 Ca 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 3a79 s VAL 138 Cb 0.00 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.26 3a79 s VAL 138 CO 0.00 -1.04 1.05 0.00 0.00 0.00 0.00 175.10 175.11 3a79 h LYS 140 N -0.72 0.00 0.00 0.00 2.10 -1.95 -2.57 116.57 113.44 3a79 h LYS 140 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3a79 h LYS 140 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3a79 h LYS 140 CO 0.53 0.11 0.00 0.93 -2.00 0.00 0.00 179.45 179.02 3a79 h GLU 141 N 0.00 0.00 0.00 0.07 3.07 -1.94 -3.02 114.58 112.76 3a79 h GLU 141 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3a79 h GLU 141 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3a79 h GLU 141 CO 0.01 0.00 0.13 1.19 -1.40 0.00 0.00 179.01 178.94 3a79 n PHE 142 N -2.73 0.00 0.19 4.33 0.99 -0.97 -0.41 117.46 118.85 3a79 n PHE 142 Ca 0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.52 3a79 n PHE 142 Cb 0.34 -0.31 0.35 0.00 -1.00 0.00 0.00 39.48 38.86 3a79 n PHE 142 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3a79 h GLY 143 N 0.00 0.00 2.00 1.37 0.00 -1.59 -2.98 103.07 101.87 3a79 h GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a79 h GLY 143 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 176.54 175.97 3a79 h ASN 144 N 0.00 0.00 0.00 0.19 -1.24 -1.02 -3.34 115.58 110.17 3a79 h ASN 144 Ca -0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.68 3a79 h ASN 144 Cb 0.84 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 3a79 h ASN 144 CO 0.05 0.00 1.64 0.18 -1.29 0.00 0.00 177.43 178.01 3a79 n LEU 145 N -2.71 5.08 -0.10 0.34 4.77 -1.13 -4.63 117.00 118.62 3a79 n LEU 145 Ca 0.02 -2.93 0.12 0.00 -0.03 0.00 0.00 56.01 53.18 3a79 n LEU 145 Cb 0.31 -1.14 0.48 0.00 -2.33 0.00 0.00 43.42 40.75 3a79 n LEU 145 CO 0.26 1.07 1.19 0.71 -1.33 0.00 0.00 177.39 179.29 3a79 h THR 146 N 2.86 0.90 0.00 -5.08 1.35 -1.84 -1.21 112.91 109.89 3a79 h THR 146 Ca 0.41 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 3a79 h THR 146 Cb 0.58 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3a79 h THR 146 CO 1.01 0.08 0.00 0.29 -0.25 0.00 0.00 175.52 176.65 3a79 n LYS 147 N -4.47 0.47 -2.04 4.72 5.02 -1.26 -4.71 118.16 115.88 3a79 n LYS 147 Ca 0.10 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 3a79 n LYS 147 Cb 0.37 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 3a79 n LYS 147 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3a79 s LEU 148 N -2.49 4.38 0.00 -0.35 2.96 -0.46 -4.42 118.68 118.29 3a79 s LEU 148 Ca 0.29 2.54 0.00 0.00 -0.22 0.00 0.00 54.13 56.74 3a79 s LEU 148 Cb 0.19 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.28 3a79 s LEU 148 CO 0.42 -0.72 0.00 1.07 -1.32 0.00 0.00 176.35 175.80 3a79 n THR 149 N 3.40 0.00 -4.70 3.68 5.66 -0.34 -4.37 114.28 117.61 3a79 n THR 149 Ca 0.11 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.78 3a79 n THR 149 Cb 0.40 -0.57 -0.15 0.00 -1.55 0.00 0.00 70.33 68.46 3a79 n THR 149 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 3a79 s PHE 150 N -1.67 2.75 -0.09 1.09 5.36 -0.49 -0.20 117.98 124.73 3a79 s PHE 150 Ca 0.00 -0.97 0.01 0.00 -0.96 0.00 0.00 56.93 55.01 3a79 s PHE 150 Cb 0.00 -1.85 0.02 0.00 -0.34 0.00 0.00 43.02 40.85 3a79 s PHE 150 CO 0.00 -0.41 -0.11 -1.17 -1.46 0.00 0.00 175.22 172.07 3a79 s LEU 151 N 0.63 1.49 -0.13 6.12 2.96 0.23 -1.00 118.68 128.98 3a79 s LEU 151 Ca -0.09 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3a79 s LEU 151 Cb -0.16 -0.87 0.01 0.00 0.50 0.00 0.00 46.19 45.68 3a79 s LEU 151 CO 0.03 -0.03 -0.21 -0.83 -1.32 0.00 0.00 176.35 173.99 3a79 s GLY 152 N 1.09 1.32 0.08 7.98 0.00 -0.34 -0.43 107.32 117.02 3a79 s GLY 152 Ca -0.06 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.62 3a79 s GLY 152 CO -0.02 -0.01 -0.06 1.08 0.00 0.00 0.00 173.10 174.09 3a79 s LEU 153 N 0.81 2.47 0.01 0.66 1.43 0.15 -0.23 118.68 123.98 3a79 s LEU 153 Ca -0.08 -0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 51.93 3a79 s LEU 153 Cb -0.16 -0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.06 3a79 s LEU 153 CO -0.01 -0.46 0.31 -0.94 0.23 0.00 0.00 176.35 175.48 3a79 s SER 154 N -2.83 -0.17 0.16 2.29 1.04 -1.25 -1.74 113.70 111.19 3a79 s SER 154 Ca 0.08 -0.00 -0.25 0.00 0.48 0.00 0.00 55.95 56.26 3a79 s SER 154 Cb 0.04 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.55 3a79 s SER 154 CO -0.05 -0.51 0.98 0.00 0.98 0.00 0.00 173.24 174.64 3a79 s ALA 155 N -1.74 -1.65 -0.17 5.32 0.00 -1.22 -4.45 121.76 117.85 3a79 s ALA 155 Ca -0.11 0.08 0.04 0.00 0.00 0.00 0.00 51.96 51.97 3a79 s ALA 155 Cb -0.04 0.64 -0.05 0.00 0.00 0.00 0.00 23.12 23.68 3a79 s ALA 155 CO 0.02 -1.05 0.17 0.00 0.00 0.00 0.00 175.76 174.90 3a79 n ALA 156 N -0.50 2.50 -2.74 0.00 0.00 -0.24 -4.23 120.51 115.30 3a79 n ALA 156 Ca -0.06 -0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.09 3a79 n ALA 156 Cb 0.61 -0.16 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 3a79 n ALA 156 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3a79 s LYS 157 N -1.58 0.60 -0.05 0.00 1.02 -1.07 -4.48 119.74 114.17 3a79 s LYS 157 Ca 0.01 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.59 3a79 s LYS 157 Cb 0.03 -0.54 0.02 0.00 -0.52 0.00 0.00 37.83 36.82 3a79 s LYS 157 CO 0.18 0.14 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.60 3a79 s PHE 158 N -0.52 1.13 0.18 3.18 0.40 -1.26 -4.26 117.98 116.83 3a79 s PHE 158 Ca -0.00 -0.38 0.09 0.00 -0.60 0.00 0.00 56.93 56.04 3a79 s PHE 158 Cb -0.05 -0.87 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 3a79 s PHE 158 CO 0.00 -0.22 -0.12 1.03 0.70 0.00 0.00 175.22 176.61 3a79 s ARG 159 N 0.69 1.96 0.36 0.44 3.00 -1.18 -3.57 118.95 120.65 3a79 s ARG 159 Ca -0.12 -1.30 0.12 0.00 0.00 0.00 0.00 55.73 54.43 3a79 s ARG 159 Cb -0.14 -2.11 0.93 0.00 0.00 0.00 0.00 34.95 33.62 3a79 s ARG 159 CO 0.02 0.43 1.80 0.37 0.00 0.00 0.00 175.30 177.92 3a79 h GLN 160 N 3.00 0.56 -0.62 3.54 4.15 -1.90 -2.12 115.11 121.72 3a79 h GLN 160 Ca -0.47 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3a79 h GLN 160 Cb 1.20 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.77 3a79 h GLN 160 CO 0.53 0.37 0.00 1.28 -1.93 0.00 0.00 178.83 179.08 3a79 n LEU 161 N -4.66 3.52 -0.18 -2.39 4.77 -1.26 -0.49 117.00 116.31 3a79 n LEU 161 Ca 0.23 -1.72 0.02 0.00 -0.03 0.00 0.00 56.01 54.51 3a79 n LEU 161 Cb 0.68 -0.41 0.29 0.00 -2.33 0.00 0.00 43.42 41.65 3a79 n LEU 161 CO 0.25 0.86 1.23 0.44 -1.33 0.00 0.00 177.39 178.84 3a79 h ASP 162 N 3.95 0.77 -0.76 -1.43 3.32 -1.70 -2.18 116.42 118.39 3a79 h ASP 162 Ca 0.00 -0.01 -0.34 0.00 0.02 0.00 0.00 57.03 56.70 3a79 h ASP 162 Cb 0.90 -0.19 -0.20 0.00 0.22 0.00 0.00 39.33 40.06 3a79 h ASP 162 CO 0.00 0.54 0.43 0.18 -1.72 0.00 0.00 179.24 178.67 3a79 n LEU 163 N -4.44 5.92 -0.13 1.55 4.77 -1.26 -4.58 117.00 118.83 3a79 n LEU 163 Ca 0.08 -3.12 -0.12 0.00 -0.03 0.00 0.00 56.01 52.83 3a79 n LEU 163 Cb 0.08 -0.76 -0.02 0.00 -2.33 0.00 0.00 43.42 40.40 3a79 n LEU 163 CO 0.35 0.87 0.67 0.25 -1.33 0.00 0.00 177.39 178.21 3a79 h LEU 164 N 1.57 0.83 -2.27 2.23 6.46 -1.71 -2.97 115.31 119.44 3a79 h LEU 164 Ca 0.42 -0.40 0.04 0.00 -0.12 0.00 0.00 57.88 57.82 3a79 h LEU 164 Cb 2.40 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 42.10 3a79 h LEU 164 CO 0.82 1.04 0.14 -0.65 -0.62 0.00 0.00 178.44 179.18 3a79 h PRO 165 N 0.62 0.00 -0.52 5.25 0.11 -1.84 -1.91 132.00 133.70 3a79 h PRO 165 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3a79 h PRO 165 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3a79 h PRO 165 CO 0.05 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.17 3a79 n VAL 166 N -3.86 2.14 0.78 3.15 0.24 -1.13 -3.63 118.33 116.02 3a79 n VAL 166 Ca 0.00 -1.39 0.10 0.00 -2.04 0.00 0.00 64.34 61.02 3a79 n VAL 166 Cb 0.26 -0.04 0.47 0.00 -1.47 0.00 0.00 33.84 33.05 3a79 n VAL 166 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a79 n ALA 167 N 0.59 1.99 -1.24 2.33 0.00 -0.72 -3.13 120.51 120.34 3a79 n ALA 167 Ca 0.24 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.66 3a79 n ALA 167 Cb 0.95 -1.34 0.20 0.00 0.00 0.00 0.00 19.45 19.25 3a79 n ALA 167 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3a79 n HIS 168 N -1.46 0.53 -4.11 0.00 8.25 -1.26 -4.63 115.22 112.54 3a79 n HIS 168 Ca 0.06 -1.21 -0.27 0.00 -0.26 0.00 0.00 57.72 56.04 3a79 n HIS 168 Cb 0.23 -0.30 -0.06 0.00 1.12 0.00 0.00 29.99 30.98 3a79 n HIS 168 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3a79 s LEU 169 N -3.02 3.66 -1.27 2.41 1.43 -1.18 -5.03 118.68 115.68 3a79 s LEU 169 Ca 0.39 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 53.22 3a79 s LEU 169 Cb 0.34 -2.30 0.17 0.00 0.03 0.00 0.00 46.19 44.44 3a79 s LEU 169 CO 0.02 0.09 1.88 1.41 0.23 0.00 0.00 176.35 179.98 3a79 n HIS 170 N -0.12 2.86 -2.17 0.29 8.25 -1.26 -4.88 115.22 118.19 3a79 n HIS 170 Ca -0.09 -2.77 -0.36 0.00 -0.26 0.00 0.00 57.72 54.24 3a79 n HIS 170 Cb 0.54 -1.90 0.01 0.00 1.12 0.00 0.00 29.99 29.76 3a79 n HIS 170 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3a79 s LEU 171 N -0.38 3.78 -0.08 2.41 1.43 -1.26 -4.75 118.68 119.84 3a79 s LEU 171 Ca 0.40 2.29 0.02 0.00 -1.03 0.00 0.00 54.13 55.80 3a79 s LEU 171 Cb 0.10 -4.51 -0.06 0.00 0.03 0.00 0.00 46.19 41.75 3a79 s LEU 171 CO 0.01 -1.29 -0.05 -1.20 0.23 0.00 0.00 176.35 174.04 3a79 n SER 172 N -1.22 3.39 -3.91 2.29 7.64 0.73 -3.13 113.62 119.41 3a79 n SER 172 Ca 0.11 -0.04 -0.20 0.00 1.01 0.00 0.00 58.87 59.76 3a79 n SER 172 Cb 0.50 0.02 -0.16 0.00 -1.01 0.00 0.00 64.21 63.56 3a79 n SER 172 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a79 s ILE 174 N 0.75 3.26 -0.20 0.00 1.01 -0.90 -0.60 121.20 124.52 3a79 s ILE 174 Ca -0.10 -1.47 -0.13 0.00 0.00 0.00 0.00 60.65 58.95 3a79 s ILE 174 Cb -0.13 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 3a79 s ILE 174 CO 0.00 -0.26 0.27 -0.22 0.00 0.00 0.00 174.94 174.73 3a79 s LEU 175 N 1.27 4.18 -0.03 2.97 2.96 0.43 -1.48 118.68 128.98 3a79 s LEU 175 Ca -0.01 0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 54.26 3a79 s LEU 175 Cb -0.20 -2.30 0.03 0.00 0.50 0.00 0.00 46.19 44.21 3a79 s LEU 175 CO -0.01 0.05 0.03 -0.22 -1.32 0.00 0.00 176.35 174.88 3a79 s LEU 176 N 0.86 0.95 -0.05 -0.68 2.96 -0.02 0.33 118.68 123.04 3a79 s LEU 176 Ca 0.14 0.03 0.06 0.00 -0.22 0.00 0.00 54.13 54.13 3a79 s LEU 176 Cb -0.13 -0.12 -0.01 0.00 0.50 0.00 0.00 46.19 46.43 3a79 s LEU 176 CO 0.04 -0.14 -0.22 1.51 -1.32 0.00 0.00 176.35 176.23 3a79 s ASP 177 N 1.23 2.66 -0.38 3.68 -4.77 -0.71 -1.28 116.67 117.10 3a79 s ASP 177 Ca -0.07 -0.44 0.05 0.00 -3.30 0.00 0.00 52.55 48.80 3a79 s ASP 177 Cb -0.13 -0.67 0.48 0.00 -1.09 0.00 0.00 42.92 41.51 3a79 s ASP 177 CO -0.03 0.22 1.49 0.18 0.70 0.00 0.00 175.17 177.73 3a79 n LEU 178 N 2.96 5.32 -0.11 2.11 7.99 0.76 -3.38 117.00 132.65 3a79 n LEU 178 Ca -0.17 -4.30 -0.13 0.00 -0.01 0.00 0.00 56.01 51.40 3a79 n LEU 178 Cb 0.52 -0.60 -0.03 0.00 -0.11 0.00 0.00 43.42 43.21 3a79 n LEU 178 CO 0.25 1.66 0.61 0.58 -1.51 0.00 0.00 177.39 178.98 3a79 h VAL 179 N 1.48 1.29 0.00 4.08 2.07 -1.83 -3.01 116.25 120.33 3a79 h VAL 179 Ca 0.38 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3a79 h VAL 179 Cb 1.42 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3a79 h VAL 179 CO 0.83 0.46 0.00 -1.20 0.02 0.00 0.00 177.57 177.68 3a79 n SER 180 N -4.23 0.00 -4.71 0.57 7.64 -1.26 -4.62 113.62 107.02 3a79 n SER 180 Ca -0.03 -0.19 -0.38 0.00 1.01 0.00 0.00 58.87 59.28 3a79 n SER 180 Cb 0.46 -0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.42 3a79 n SER 180 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3a79 s TYR 181 N -2.36 3.48 0.24 1.43 5.04 -1.14 -4.64 117.35 119.40 3a79 s TYR 181 Ca 0.21 0.88 0.11 0.00 -2.44 0.00 0.00 57.07 55.83 3a79 s TYR 181 Cb 0.12 -2.60 -0.05 0.00 0.35 0.00 0.00 41.96 39.78 3a79 s TYR 181 CO 0.25 0.09 -0.21 -1.01 -1.34 0.00 0.00 175.55 173.33 3a79 s HIS 182 N 0.92 2.21 0.55 4.97 3.76 -1.26 -4.99 115.29 121.44 3a79 s HIS 182 Ca 0.26 -0.37 -0.19 0.00 -0.15 0.00 0.00 55.06 54.61 3a79 s HIS 182 Cb -0.15 -1.02 -0.05 0.00 1.11 0.00 0.00 32.58 32.47 3a79 s HIS 182 CO 0.11 0.59 1.13 0.42 -0.85 0.00 0.00 174.74 176.14 3a79 s ILE 183 N -2.23 3.13 0.00 0.60 -1.09 -1.26 -5.02 121.20 115.33 3a79 s ILE 183 Ca 0.25 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.37 3a79 s ILE 183 Cb -0.06 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 3a79 s ILE 183 CO 0.12 -0.16 0.00 0.29 -1.23 0.00 0.00 174.94 173.96 3a79 n LYS 184 N -1.37 2.92 -0.12 2.79 4.76 -1.26 -5.00 118.16 120.88 3a79 n LYS 184 Ca 0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 3a79 n LYS 184 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 3a79 n LYS 184 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a79 n GLY 185 N 3.86 1.12 4.54 0.72 0.00 -1.26 -4.70 105.19 109.47 3a79 n GLY 185 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a79 n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a79 n GLY 186 N 1.37 1.26 3.34 -0.02 0.00 -1.26 -4.83 105.19 105.05 3a79 n GLY 186 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3a79 n GLY 186 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a79 n GLU 187 N -0.75 0.84 -0.85 1.61 1.02 -1.26 -4.84 120.64 116.39 3a79 n GLU 187 Ca 0.00 -1.59 -0.33 0.00 -0.02 0.00 0.00 57.16 55.21 3a79 n GLU 187 Cb 0.00 -2.94 -0.05 0.00 -0.02 0.00 0.00 31.44 28.43 3a79 n GLU 187 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3a79 n THR 188 N 6.84 0.00 -2.57 2.62 -1.04 -1.26 -4.90 114.28 113.97 3a79 n THR 188 Ca 0.47 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 62.11 3a79 n THR 188 Cb 0.42 -0.08 -0.04 0.00 -1.82 0.00 0.00 70.33 68.81 3a79 n THR 188 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3a79 s GLU 189 N 0.48 4.29 0.42 -2.82 2.02 -1.26 -4.89 118.70 116.93 3a79 s GLU 189 Ca 0.52 1.52 0.07 0.00 0.02 0.00 0.00 54.97 57.09 3a79 s GLU 189 Cb -0.73 -2.66 -0.06 0.00 0.10 0.00 0.00 34.13 30.78 3a79 s GLU 189 CO 0.35 -0.03 0.09 -1.12 0.02 0.00 0.00 175.26 174.57 3a79 s SER 190 N -1.49 4.14 -0.30 -0.19 0.01 -1.23 0.75 113.70 115.38 3a79 s SER 190 Ca 0.55 -1.25 -0.13 0.00 1.31 0.00 0.00 55.95 56.43 3a79 s SER 190 Cb -0.23 -0.40 0.17 0.00 0.21 0.00 0.00 66.02 65.77 3a79 s SER 190 CO 0.29 -0.51 0.95 -0.22 0.41 0.00 0.00 173.24 174.15 3a79 s LEU 191 N -3.81 -0.66 -0.21 2.44 2.96 -0.00 -2.89 118.68 116.51 3a79 s LEU 191 Ca 0.37 0.78 -0.24 0.00 -0.22 0.00 0.00 54.13 54.82 3a79 s LEU 191 Cb 0.07 1.70 -0.01 0.00 0.50 0.00 0.00 46.19 48.45 3a79 s LEU 191 CO 0.20 -0.12 0.79 -1.58 -1.32 0.00 0.00 176.35 174.31 3a79 s GLN 192 N 2.58 4.22 -0.25 1.98 2.00 0.36 -1.98 119.66 128.58 3a79 s GLN 192 Ca -0.01 0.90 -0.20 0.00 -2.00 0.00 0.00 55.36 54.05 3a79 s GLN 192 Cb -0.08 -3.61 -0.02 0.00 0.80 0.00 0.00 33.01 30.10 3a79 s GLN 192 CO -0.17 -0.40 0.60 0.42 -0.50 0.00 0.00 175.29 175.24 3a79 s ILE 193 N 2.43 5.01 0.83 -2.34 1.09 0.40 -4.48 121.20 124.13 3a79 s ILE 193 Ca 0.35 1.08 -0.14 0.00 -1.10 0.00 0.00 60.65 60.84 3a79 s ILE 193 Cb -0.16 -3.91 0.04 0.00 -1.06 0.00 0.00 42.46 37.38 3a79 s ILE 193 CO 0.10 0.05 0.83 -2.65 -0.10 0.00 0.00 174.94 173.17 3a79 n PRO 194 N 5.60 0.05 -1.67 2.79 -0.02 -1.26 -4.22 135.00 136.27 3a79 n PRO 194 Ca -0.01 0.08 -0.44 0.00 -2.02 0.00 0.00 63.50 61.11 3a79 n PRO 194 Cb 0.49 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 3a79 n PRO 194 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3a79 n ASN 195 N -2.09 3.91 -4.10 2.55 4.13 -1.26 -4.85 115.26 113.55 3a79 n ASN 195 Ca 0.11 0.94 -0.16 0.00 1.68 0.00 0.00 54.58 57.15 3a79 n ASN 195 Cb 0.51 -1.48 -0.12 0.00 -1.54 0.00 0.00 39.78 37.15 3a79 n ASN 195 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3a79 s THR 196 N 4.00 0.78 0.06 3.41 2.01 -1.02 -4.27 115.64 120.61 3a79 s THR 196 Ca 0.89 -1.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.56 3a79 s THR 196 Cb -0.53 -0.78 -0.18 0.00 0.01 0.00 0.00 72.50 71.03 3a79 s THR 196 CO 0.44 -0.22 1.54 0.74 -0.69 0.00 0.00 174.62 176.44 3a79 h THR 197 N 4.50 0.50 -3.89 -0.82 2.02 -1.63 -3.29 112.91 110.30 3a79 h THR 197 Ca -0.37 -0.14 -0.68 0.00 0.77 0.00 0.00 66.41 65.99 3a79 h THR 197 Cb 1.19 0.57 -0.25 0.00 -1.74 0.00 0.00 68.15 67.92 3a79 h THR 197 CO 0.42 0.02 -0.79 -0.69 0.37 0.00 0.00 175.52 174.86 3a79 s VAL 198 N -5.73 2.91 -0.22 3.16 1.01 -0.13 -0.70 120.40 120.70 3a79 s VAL 198 Ca -0.16 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3a79 s VAL 198 Cb 0.03 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.31 3a79 s VAL 198 CO 0.60 0.57 -0.15 -0.22 0.00 0.00 0.00 175.10 175.91 3a79 s LEU 199 N -0.41 2.80 -0.21 3.92 2.96 0.57 -2.13 118.68 126.18 3a79 s LEU 199 Ca 0.05 -0.98 -0.03 0.00 -0.22 0.00 0.00 54.13 52.94 3a79 s LEU 199 Cb -0.12 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 3a79 s LEU 199 CO 0.02 -0.09 -0.06 -2.28 -1.32 0.00 0.00 176.35 172.61 3a79 s HIS 200 N 1.22 2.93 -0.14 5.38 5.65 -0.55 0.23 115.29 130.01 3a79 s HIS 200 Ca -0.01 -0.92 0.01 0.00 0.25 0.00 0.00 55.06 54.38 3a79 s HIS 200 Cb -0.16 -2.06 -0.01 0.00 -1.18 0.00 0.00 32.58 29.17 3a79 s HIS 200 CO -0.09 -0.51 -0.16 -0.51 -0.65 0.00 0.00 174.74 172.83 3a79 s LEU 201 N 1.30 2.51 -0.10 8.88 1.43 0.17 -0.84 118.68 132.03 3a79 s LEU 201 Ca 0.04 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 3a79 s LEU 201 Cb -0.14 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 3a79 s LEU 201 CO -0.03 0.12 -0.17 -0.69 0.23 0.00 0.00 176.35 175.81 3a79 s VAL 202 N 0.60 2.74 0.45 -1.59 1.01 -0.41 -0.93 120.40 122.28 3a79 s VAL 202 Ca -0.09 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.17 3a79 s VAL 202 Cb -0.16 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3a79 s VAL 202 CO 0.03 0.55 0.32 -0.36 0.00 0.00 0.00 175.10 175.64 3a79 s PHE 203 N 0.10 2.35 0.23 5.22 0.40 -0.84 -0.17 117.98 125.27 3a79 s PHE 203 Ca -0.08 -0.63 -0.32 0.00 -0.60 0.00 0.00 56.93 55.30 3a79 s PHE 203 Cb -0.15 -2.03 -0.13 0.00 0.51 0.00 0.00 43.02 41.22 3a79 s PHE 203 CO 0.05 -0.13 1.58 1.58 0.70 0.00 0.00 175.22 179.00 3a79 n HIS 204 N -1.52 2.54 1.05 0.36 -0.00 -1.25 -4.67 115.22 111.73 3a79 n HIS 204 Ca 0.00 0.24 0.09 0.00 -0.00 0.00 0.00 57.72 58.06 3a79 n HIS 204 Cb 0.63 -2.57 0.31 0.00 -0.00 0.00 0.00 29.99 28.35 3a79 n HIS 204 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3a79 n PRO 205 N 2.90 1.82 -2.73 1.57 -0.05 -1.26 -4.26 135.00 132.99 3a79 n PRO 205 Ca 0.13 -1.24 -0.06 0.00 -0.05 0.00 0.00 63.50 62.28 3a79 n PRO 205 Cb 0.33 -1.37 0.04 0.00 -0.05 0.00 0.00 33.50 32.45 3a79 n PRO 205 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3a79 n ASN 206 N 0.48 1.43 -3.65 3.54 3.02 -1.26 -5.07 115.26 113.74 3a79 n ASN 206 Ca 0.15 -2.45 -0.01 0.00 -0.03 0.00 0.00 54.58 52.25 3a79 n ASN 206 Cb 0.34 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 39.02 3a79 n ASN 206 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3a79 s SER 207 N -3.34 -0.10 0.37 6.41 1.04 -1.26 -5.13 113.70 111.69 3a79 s SER 207 Ca 0.27 -0.19 -0.28 0.00 0.48 0.00 0.00 55.95 56.23 3a79 s SER 207 Cb 0.41 0.26 -0.10 0.00 0.10 0.00 0.00 66.02 66.68 3a79 s SER 207 CO 0.01 -0.47 1.38 -0.76 0.98 0.00 0.00 173.24 174.38 3a79 s LEU 208 N -2.90 4.32 0.04 2.42 1.43 -1.26 -4.41 118.68 118.32 3a79 s LEU 208 Ca 0.13 2.83 -0.30 0.00 -1.03 0.00 0.00 54.13 55.75 3a79 s LEU 208 Cb 0.03 -3.73 -0.08 0.00 0.03 0.00 0.00 46.19 42.44 3a79 s LEU 208 CO -0.02 -0.77 1.69 0.12 0.23 0.00 0.00 176.35 177.60 3a79 s PHE 209 N -1.16 2.19 -0.33 0.29 5.36 -0.76 -4.92 117.98 118.66 3a79 s PHE 209 Ca 0.53 0.20 0.17 0.00 -0.96 0.00 0.00 56.93 56.88 3a79 s PHE 209 Cb -0.42 -3.98 0.45 0.00 -0.34 0.00 0.00 43.02 38.73 3a79 s PHE 209 CO 0.56 -4.05 0.95 -1.13 -1.46 0.00 0.00 175.22 170.09 3a79 n SER 210 N 6.17 1.50 -4.71 6.13 3.41 -1.26 -4.86 113.62 120.00 3a79 n SER 210 Ca 0.17 -2.75 -0.36 0.00 -0.26 0.00 0.00 58.87 55.66 3a79 n SER 210 Cb 0.41 -0.53 -0.08 0.00 -0.26 0.00 0.00 64.21 63.75 3a79 n SER 210 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3a79 s VAL 211 N -3.15 5.31 -0.87 -3.33 1.01 -1.26 -4.66 120.40 113.44 3a79 s VAL 211 Ca 0.28 0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.80 3a79 s VAL 211 Cb 0.45 -3.60 0.15 0.00 0.00 0.00 0.00 36.38 33.38 3a79 s VAL 211 CO 0.03 0.36 0.98 0.00 0.00 0.00 0.00 175.10 176.47 3a79 n GLN 212 N 3.86 1.55 -1.90 2.72 6.02 -1.26 -4.78 117.38 123.59 3a79 n GLN 212 Ca -0.12 -1.46 -0.42 0.00 -0.01 0.00 0.00 57.00 54.98 3a79 n GLN 212 Cb 0.52 -1.18 -0.03 0.00 1.02 0.00 0.00 30.24 30.57 3a79 n GLN 212 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3a79 s VAL 213 N -0.85 2.62 -0.58 5.09 1.01 -1.26 -4.36 120.40 122.07 3a79 s VAL 213 Ca 0.14 0.39 -0.27 0.00 0.00 0.00 0.00 61.98 62.23 3a79 s VAL 213 Cb 0.08 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.25 3a79 s VAL 213 CO 0.11 0.02 1.14 0.21 0.00 0.00 0.00 175.10 176.59 3a79 s ASN 214 N 1.44 6.42 -0.38 3.32 2.47 0.23 -4.91 114.94 123.53 3a79 s ASN 214 Ca 0.72 0.01 -0.09 0.00 0.42 0.00 0.00 52.86 53.91 3a79 s ASN 214 Cb -0.44 -2.53 0.04 0.00 -1.45 0.00 0.00 41.25 36.87 3a79 s ASN 214 CO 0.32 -1.43 0.19 -0.04 -3.72 0.00 0.00 177.10 172.42 3a79 s MET 215 N 4.76 2.72 0.29 0.43 -1.94 -1.26 -0.82 119.30 123.47 3a79 s MET 215 Ca 0.40 -1.19 -0.14 0.00 -1.71 0.00 0.00 55.69 53.05 3a79 s MET 215 Cb -0.08 -3.68 -0.08 0.00 2.01 0.00 0.00 34.83 33.00 3a79 s MET 215 CO 0.24 -0.75 0.67 -1.12 -0.01 0.00 0.00 175.02 174.05 3a79 s SER 216 N 1.64 6.74 -0.02 3.03 0.01 -0.84 -3.38 113.70 120.88 3a79 s SER 216 Ca 0.01 1.17 -0.06 0.00 1.31 0.00 0.00 55.95 58.39 3a79 s SER 216 Cb -0.20 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 63.71 3a79 s SER 216 CO 0.05 -0.15 0.13 -0.69 0.41 0.00 0.00 173.24 172.99 3a79 s VAL 217 N -1.90 0.04 0.00 3.43 1.01 -1.26 -0.45 120.40 121.27 3a79 s VAL 217 Ca 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3a79 s VAL 217 Cb -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.96 3a79 s VAL 217 CO 0.19 -0.20 0.00 0.59 0.00 0.00 0.00 175.10 175.68 3a79 n ASN 218 N 2.23 0.00 -4.55 3.32 5.03 -1.26 -4.95 115.26 115.09 3a79 n ASN 218 Ca -0.18 0.07 -0.39 0.00 0.87 0.00 0.00 54.58 54.95 3a79 n ASN 218 Cb 0.57 -0.23 -0.11 0.00 -1.02 0.00 0.00 39.78 38.99 3a79 n ASN 218 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a79 s ALA 219 N -3.91 3.47 -0.05 5.41 0.00 -1.26 -4.60 121.76 120.81 3a79 s ALA 219 Ca 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 3a79 s ALA 219 Cb 0.00 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.64 3a79 s ALA 219 CO 0.00 -0.72 0.12 -1.17 0.00 0.00 0.00 175.76 173.99 3a79 s LEU 220 N 1.72 0.87 -0.21 0.00 2.96 -1.26 -2.44 118.68 120.32 3a79 s LEU 220 Ca 0.06 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.26 3a79 s LEU 220 Cb -0.17 0.28 -0.21 0.00 0.50 0.00 0.00 46.19 46.60 3a79 s LEU 220 CO 0.10 -0.14 -0.01 0.61 -1.32 0.00 0.00 176.35 175.59 3a79 n GLY 221 N 4.10 -0.57 3.04 7.98 0.00 0.13 -4.58 105.19 115.29 3a79 n GLY 221 Ca -0.26 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 3a79 n GLY 221 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a79 s HIS 222 N -2.52 -0.54 -0.07 1.61 5.65 -0.23 -0.50 115.29 118.68 3a79 s HIS 222 Ca -0.26 1.04 -0.11 0.00 0.25 0.00 0.00 55.06 55.99 3a79 s HIS 222 Cb 0.08 0.03 -0.05 0.00 -1.18 0.00 0.00 32.58 31.46 3a79 s HIS 222 CO 0.69 -0.44 0.26 -1.17 -0.65 0.00 0.00 174.74 173.43 3a79 s LEU 223 N 2.47 4.42 -0.08 8.88 2.96 -0.36 -0.32 118.68 136.66 3a79 s LEU 223 Ca 0.02 0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 54.58 3a79 s LEU 223 Cb -0.13 -2.30 0.05 0.00 0.50 0.00 0.00 46.19 44.31 3a79 s LEU 223 CO -0.10 0.36 0.16 -1.58 -1.32 0.00 0.00 176.35 173.87 3a79 s GLN 224 N -1.00 0.05 -0.05 1.98 0.74 0.14 -1.60 119.66 119.91 3a79 s GLN 224 Ca 0.19 0.52 0.04 0.00 0.05 0.00 0.00 55.36 56.16 3a79 s GLN 224 Cb -0.14 -0.25 -0.02 0.00 1.10 0.00 0.00 33.01 33.70 3a79 s GLN 224 CO 0.08 -0.28 -0.17 -0.51 -0.55 0.00 0.00 175.29 173.87 3a79 s LEU 225 N 2.05 2.59 -0.01 3.68 1.43 -0.32 0.44 118.68 128.54 3a79 s LEU 225 Ca 0.00 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3a79 s LEU 225 Cb -0.12 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 3a79 s LEU 225 CO -0.06 0.32 -0.13 -0.44 0.23 0.00 0.00 176.35 176.27 3a79 s SER 226 N -0.57 1.57 -0.21 2.29 0.01 -0.10 -0.96 113.70 115.72 3a79 s SER 226 Ca 0.08 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 3a79 s SER 226 Cb -0.11 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.91 3a79 s SER 226 CO 0.01 0.15 0.20 0.59 0.41 0.00 0.00 173.24 174.61 3a79 n ASN 227 N 2.83 -3.72 -4.14 2.44 3.02 -0.58 -1.99 115.26 113.12 3a79 n ASN 227 Ca -0.15 -0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.06 3a79 n ASN 227 Cb 0.55 -2.28 -0.14 0.00 -0.61 0.00 0.00 39.78 37.30 3a79 n ASN 227 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3a79 s ILE 228 N -2.84 2.75 -0.25 2.41 1.01 -1.14 -4.55 121.20 118.59 3a79 s ILE 228 Ca 0.01 -1.50 -0.03 0.00 0.00 0.00 0.00 60.65 59.13 3a79 s ILE 228 Cb -0.00 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.87 3a79 s ILE 228 CO 0.22 -0.12 -0.04 -0.75 0.00 0.00 0.00 174.94 174.26 3a79 s LYS 229 N 1.20 2.93 -0.02 2.79 2.20 -1.26 -0.69 119.74 126.89 3a79 s LYS 229 Ca -0.05 -0.92 0.04 0.00 -0.36 0.00 0.00 55.97 54.67 3a79 s LYS 229 Cb -0.20 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 3a79 s LYS 229 CO -0.02 -0.39 -0.14 -0.51 -0.36 0.00 0.00 175.35 173.92 3a79 s LEU 230 N 1.37 1.97 0.00 5.43 1.43 0.37 -1.83 118.68 127.41 3a79 s LEU 230 Ca 0.01 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3a79 s LEU 230 Cb -0.16 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.28 3a79 s LEU 230 CO -0.03 0.16 0.00 -0.46 0.23 0.00 0.00 176.35 176.25 3a79 n ASN 231 N 2.87 0.65 0.10 2.29 0.23 -1.26 -3.17 115.26 116.97 3a79 n ASN 231 Ca -0.16 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 53.88 3a79 n ASN 231 Cb 0.54 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.20 3a79 n ASN 231 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3a79 h ASP 232 N 0.00 0.00 1.15 0.53 3.32 -2.00 -2.89 116.42 116.53 3a79 h ASP 232 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a79 h ASP 232 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3a79 h ASP 232 CO 0.00 0.71 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.89 3a79 h GLU 233 N 0.00 0.00 0.00 3.56 5.08 -2.03 -3.18 114.58 118.02 3a79 h GLU 233 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3a79 h GLU 233 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 3a79 h GLU 233 CO 0.09 0.02 0.00 0.27 -1.00 0.00 0.00 179.01 178.39 3a79 n ASN 234 N -3.11 1.35 -0.04 1.42 6.94 -1.25 -4.78 115.26 115.78 3a79 n ASN 234 Ca 0.01 -1.63 -0.08 0.00 -0.02 0.00 0.00 54.58 52.86 3a79 n ASN 234 Cb 0.34 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.75 3a79 n ASN 234 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a79 h GLN 236 N -0.21 0.67 -0.79 0.00 5.75 -1.86 -2.37 115.11 116.30 3a79 h GLN 236 Ca 0.13 -0.15 0.18 0.00 -0.15 0.00 0.00 58.65 58.66 3a79 h GLN 236 Cb 0.40 -0.10 -0.12 0.00 1.07 0.00 0.00 27.48 28.74 3a79 h GLN 236 CO -0.35 0.66 0.23 -0.09 -2.65 0.00 0.00 178.83 176.63 3a79 h ARG 237 N 0.64 0.29 -0.39 1.69 9.65 -1.81 0.17 114.38 124.62 3a79 h ARG 237 Ca 0.14 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.89 3a79 h ARG 237 Cb 0.34 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 3a79 h ARG 237 CO 0.01 0.19 -0.19 1.25 2.80 0.00 0.00 179.97 184.03 3a79 h LEU 238 N 0.30 0.85 -1.11 3.80 5.85 -1.38 -2.18 115.31 121.42 3a79 h LEU 238 Ca 0.46 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3a79 h LEU 238 Cb 0.82 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3a79 h LEU 238 CO -0.53 1.07 0.08 0.24 -0.34 0.00 0.00 178.44 178.96 3a79 h MET 239 N 0.63 0.71 -0.19 1.25 2.86 -1.09 -1.32 114.93 117.78 3a79 h MET 239 Ca 0.09 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3a79 h MET 239 Cb 0.75 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 3a79 h MET 239 CO 0.06 0.67 -0.05 1.15 1.06 0.00 0.00 176.91 179.79 3a79 h THR 240 N 0.68 1.29 -0.32 2.22 2.02 -0.98 -1.30 112.91 116.53 3a79 h THR 240 Ca 0.15 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 3a79 h THR 240 Cb 0.30 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3a79 h THR 240 CO 0.00 0.31 0.13 0.15 0.37 0.00 0.00 175.52 176.49 3a79 h PHE 241 N 0.08 0.43 0.05 3.16 3.57 -1.13 -2.29 116.94 120.81 3a79 h PHE 241 Ca 0.05 -0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.30 3a79 h PHE 241 Cb 0.50 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3a79 h PHE 241 CO 0.05 0.34 -1.10 -0.07 -2.23 0.00 0.00 178.31 175.30 3a79 h LEU 242 N 0.44 0.18 -0.95 0.59 3.38 -1.19 -3.36 115.31 114.41 3a79 h LEU 242 Ca 0.11 -0.19 0.27 0.00 0.09 0.00 0.00 57.88 58.16 3a79 h LEU 242 Cb 0.08 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 40.63 3a79 h LEU 242 CO -0.01 1.15 0.44 -1.28 0.09 0.00 0.00 178.44 178.82 3a79 h SER 243 N 0.03 0.34 0.78 -0.43 0.87 -0.62 -1.08 113.55 113.45 3a79 h SER 243 Ca -0.06 0.18 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 3a79 h SER 243 Cb 1.85 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.96 3a79 h SER 243 CO 0.16 -0.09 -1.29 1.21 -0.53 0.00 0.00 176.83 176.28 3a79 n GLU 244 N -5.09 0.62 0.14 2.24 4.07 -1.26 -2.13 120.64 119.23 3a79 n GLU 244 Ca 0.26 0.19 0.13 0.00 -0.06 0.00 0.00 57.16 57.68 3a79 n GLU 244 Cb 0.81 -1.81 0.43 0.00 -0.06 0.00 0.00 31.44 30.81 3a79 n GLU 244 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3a79 h LEU 245 N 0.00 0.00 0.00 4.31 3.38 -1.37 -3.32 115.31 118.31 3a79 h LEU 245 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3a79 h LEU 245 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3a79 h LEU 245 CO 0.03 0.00 -1.58 0.41 0.09 0.00 0.00 178.44 177.39 3a79 n THR 246 N -2.41 0.00 -1.62 0.22 -1.04 -0.48 -4.86 114.28 104.08 3a79 n THR 246 Ca 0.04 -0.33 -0.45 0.00 -2.04 0.00 0.00 64.05 61.27 3a79 n THR 246 Cb 0.37 0.27 -0.02 0.00 -1.82 0.00 0.00 70.33 69.13 3a79 n THR 246 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3a79 n ARG 247 N -1.95 1.58 -3.79 -2.82 1.74 -0.91 -4.50 116.66 106.01 3a79 n ARG 247 Ca -0.02 0.56 -0.37 0.00 -0.77 0.00 0.00 57.85 57.25 3a79 n ARG 247 Cb 0.39 -2.03 -0.13 0.00 -1.02 0.00 0.00 32.46 29.68 3a79 n ARG 247 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3a79 s GLY 248 N -0.32 1.78 0.00 -0.13 0.00 -1.26 -5.00 107.32 102.39 3a79 s GLY 248 Ca 0.61 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3a79 s GLY 248 CO 0.58 0.66 0.00 -1.05 0.00 0.00 0.00 173.10 173.29 3a79 n PRO 249 N 4.82 0.00 0.00 2.90 -0.02 -1.26 -5.03 135.00 136.40 3a79 n PRO 249 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3a79 n PRO 249 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 3a79 n PRO 249 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3a79 n THR 250 N 0.00 0.00 -3.09 3.45 -2.24 -1.26 -5.02 114.28 106.13 3a79 n THR 250 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 3a79 n THR 250 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 3a79 n THR 250 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a79 s LEU 251 N 0.00 3.86 0.09 3.22 2.01 -1.26 -4.86 118.68 121.73 3a79 s LEU 251 Ca 0.00 0.65 -0.16 0.00 0.01 0.00 0.00 54.13 54.63 3a79 s LEU 251 Cb 0.00 -3.55 0.03 0.00 0.01 0.00 0.00 46.19 42.68 3a79 s LEU 251 CO 0.00 -0.40 0.37 -1.48 1.01 0.00 0.00 176.35 175.85 3a79 s LEU 252 N -4.45 0.55 0.18 1.79 2.34 -1.04 -4.78 118.68 113.27 3a79 s LEU 252 Ca 0.43 -0.23 -0.06 0.00 0.06 0.00 0.00 54.13 54.33 3a79 s LEU 252 Cb -0.10 1.67 -0.06 0.00 -0.56 0.00 0.00 46.19 47.15 3a79 s LEU 252 CO 0.39 -0.75 0.44 0.20 -1.06 0.00 0.00 176.35 175.57 3a79 s ASN 253 N -2.46 6.53 -0.04 1.48 0.01 0.34 -2.00 114.94 118.80 3a79 s ASN 253 Ca -0.00 0.70 0.04 0.00 -0.71 0.00 0.00 52.86 52.88 3a79 s ASN 253 Cb 0.01 -2.13 -0.00 0.00 0.41 0.00 0.00 41.25 39.53 3a79 s ASN 253 CO -0.08 -0.00 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.66 3a79 s VAL 254 N -1.73 1.35 -0.11 1.60 1.01 -0.24 -1.22 120.40 121.06 3a79 s VAL 254 Ca 0.43 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 3a79 s VAL 254 Cb -0.12 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.12 3a79 s VAL 254 CO 0.24 0.39 -0.09 -0.89 0.00 0.00 0.00 175.10 174.75 3a79 s THR 255 N 0.08 1.12 -0.24 3.92 2.01 -0.63 -0.31 115.64 121.59 3a79 s THR 255 Ca -0.04 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 61.50 3a79 s THR 255 Cb -0.11 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 3a79 s THR 255 CO 0.02 0.38 0.14 -0.76 -0.69 0.00 0.00 174.62 173.71 3a79 s LEU 256 N 1.57 3.93 -0.07 4.42 1.02 0.47 -1.17 118.68 128.85 3a79 s LEU 256 Ca 0.03 0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.26 3a79 s LEU 256 Cb -0.13 -2.06 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 3a79 s LEU 256 CO -0.07 0.04 -0.25 -1.10 0.02 0.00 0.00 176.35 174.99 3a79 s GLN 257 N 1.22 2.71 -1.26 1.70 -0.21 -0.14 -0.65 119.66 123.03 3a79 s GLN 257 Ca 0.06 -0.90 -0.07 0.00 0.02 0.00 0.00 55.36 54.48 3a79 s GLN 257 Cb -0.14 -2.21 0.01 0.00 1.00 0.00 0.00 33.01 31.67 3a79 s GLN 257 CO 0.05 0.32 1.09 0.72 -2.12 0.00 0.00 175.29 175.35 3a79 n HIS 258 N 3.13 -2.62 -2.87 0.91 8.25 0.23 -1.53 115.22 120.72 3a79 n HIS 258 Ca -0.18 0.95 -0.42 0.00 -0.26 0.00 0.00 57.72 57.81 3a79 n HIS 258 Cb 0.52 -4.84 -0.04 0.00 1.12 0.00 0.00 29.99 26.75 3a79 n HIS 258 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3a79 s ILE 259 N -3.31 4.70 -0.24 1.59 1.09 -1.14 -2.88 121.20 121.01 3a79 s ILE 259 Ca 0.46 1.24 -0.08 0.00 -1.10 0.00 0.00 60.65 61.16 3a79 s ILE 259 Cb -0.20 -4.24 -0.04 0.00 -1.06 0.00 0.00 42.46 36.92 3a79 s ILE 259 CO 0.69 -0.37 0.09 -0.70 -0.10 0.00 0.00 174.94 174.55 3a79 s GLU 260 N 3.20 3.79 0.04 2.79 2.12 0.14 -0.99 118.70 129.78 3a79 s GLU 260 Ca 0.36 -0.41 -0.15 0.00 0.36 0.00 0.00 54.97 55.12 3a79 s GLU 260 Cb -0.13 -3.37 0.03 0.00 0.26 0.00 0.00 34.13 30.91 3a79 s GLU 260 CO 0.15 -0.08 0.34 -0.08 -0.54 0.00 0.00 175.26 175.05 3a79 s THR 261 N 1.36 0.07 0.96 -1.70 -1.32 -0.49 -0.48 115.64 114.03 3a79 s THR 261 Ca 0.06 -0.59 -0.12 0.00 -1.21 0.00 0.00 61.69 59.83 3a79 s THR 261 Cb -0.15 -0.94 0.12 0.00 -1.51 0.00 0.00 72.50 70.02 3a79 s THR 261 CO 0.05 -0.33 0.81 0.41 -2.21 0.00 0.00 174.62 173.35 3a79 n THR 262 N 0.56 0.00 -0.04 5.08 -1.04 -1.19 -0.79 114.28 116.87 3a79 n THR 262 Ca -0.19 -0.12 -0.14 0.00 -2.04 0.00 0.00 64.05 61.57 3a79 n THR 262 Cb 0.59 -0.84 -0.09 0.00 -1.82 0.00 0.00 70.33 68.18 3a79 n THR 262 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 3a79 h TRP 263 N -1.85 0.26 -0.85 -1.42 -0.00 -1.94 -2.51 115.95 107.64 3a79 h TRP 263 Ca -0.45 -0.09 0.22 0.00 -0.00 0.00 0.00 58.89 58.57 3a79 h TRP 263 Cb 1.28 -0.05 -0.14 0.00 -0.00 0.00 0.00 29.16 30.25 3a79 h TRP 263 CO 0.42 0.72 0.15 -0.22 -0.00 0.00 0.00 178.44 179.51 3a79 h LYS 264 N -0.26 0.15 0.00 2.65 3.64 -1.92 0.13 116.57 120.95 3a79 h LYS 264 Ca 0.00 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3a79 h LYS 264 Cb 0.70 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3a79 h LYS 264 CO 0.03 0.10 -0.46 0.00 -2.27 0.00 0.00 179.45 176.85 3a79 h SER 266 N 0.00 0.68 0.09 0.00 0.02 -0.33 0.80 113.55 114.81 3a79 h SER 266 Ca -0.00 -0.62 -0.04 0.00 -0.84 0.00 0.00 61.79 60.29 3a79 h SER 266 Cb 1.05 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3a79 h SER 266 CO 0.06 1.18 -0.13 0.58 -1.14 0.00 0.00 176.83 177.39 3a79 h VAL 267 N 0.21 1.13 0.09 2.27 2.07 -1.18 -0.94 116.25 119.91 3a79 h VAL 267 Ca -0.03 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3a79 h VAL 267 Cb 1.15 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3a79 h VAL 267 CO 0.11 0.18 -0.04 0.11 0.02 0.00 0.00 177.57 177.94 3a79 h LYS 268 N 0.09 -0.11 -0.60 1.57 1.57 -1.25 -2.66 116.57 115.18 3a79 h LYS 268 Ca 0.02 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 3a79 h LYS 268 Cb 0.29 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.51 3a79 h LYS 268 CO 0.02 0.30 -0.15 -0.07 -0.57 0.00 0.00 179.45 178.98 3a79 h LEU 269 N -0.57 -0.57 -0.05 2.94 3.38 -0.32 0.19 115.31 120.31 3a79 h LEU 269 Ca -0.01 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.16 3a79 h LEU 269 Cb 0.47 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3a79 h LEU 269 CO 0.02 -0.20 -0.11 -0.26 0.09 0.00 0.00 178.44 177.98 3a79 h PHE 270 N -0.00 -0.28 -0.58 1.13 0.05 -1.26 -2.69 116.94 113.31 3a79 h PHE 270 Ca 0.29 0.01 0.01 0.00 3.82 0.00 0.00 57.97 62.10 3a79 h PHE 270 Cb 0.44 0.13 -0.03 0.00 2.00 0.00 0.00 35.95 38.49 3a79 h PHE 270 CO -0.50 -0.17 0.38 1.96 -0.18 0.00 0.00 178.31 179.81 3a79 h GLN 271 N -0.16 0.75 -0.45 1.51 1.08 -0.85 -1.00 115.11 115.99 3a79 h GLN 271 Ca 0.06 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 3a79 h GLN 271 Cb 0.24 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 3a79 h GLN 271 CO -0.15 0.50 0.18 0.35 -0.95 0.00 0.00 178.83 178.76 3a79 h PHE 272 N 0.78 0.64 0.02 2.96 3.57 -0.42 -3.03 116.94 121.45 3a79 h PHE 272 Ca 0.21 -0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.45 3a79 h PHE 272 Cb -0.07 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 3a79 h PHE 272 CO -0.00 0.50 -1.19 0.74 -2.23 0.00 0.00 178.31 176.13 3a79 h PHE 273 N 0.64 0.09 -0.72 0.41 -1.00 -0.89 -3.39 116.94 112.07 3a79 h PHE 273 Ca 0.16 -0.06 0.06 0.00 2.81 0.00 0.00 57.97 60.93 3a79 h PHE 273 Cb 0.13 -0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.63 3a79 h PHE 273 CO 0.01 1.06 0.42 2.35 -1.61 0.00 0.00 178.31 180.53 3a79 h TRP 274 N 0.01 0.77 0.00 -0.55 2.91 -1.24 0.04 115.95 117.88 3a79 h TRP 274 Ca -0.09 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 59.92 3a79 h TRP 274 Cb 1.85 -0.24 -0.00 0.00 -0.51 0.00 0.00 29.16 30.26 3a79 h TRP 274 CO 0.01 0.37 -0.16 -1.35 -1.03 0.00 0.00 178.44 176.29 3a79 h PRO 275 N 0.76 0.00 -7.37 2.65 0.11 -1.76 -3.36 132.00 123.04 3a79 h PRO 275 Ca 0.32 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.95 3a79 h PRO 275 Cb 0.18 0.00 0.07 0.00 0.11 0.00 0.00 31.00 31.37 3a79 h PRO 275 CO -0.18 0.16 0.32 1.03 -0.21 0.00 0.00 178.00 179.12 3a79 s ARG 276 N -3.47 2.66 -0.82 1.05 0.52 -0.00 -4.84 118.95 114.04 3a79 s ARG 276 Ca 0.02 0.18 -0.07 0.00 -0.52 0.00 0.00 55.73 55.35 3a79 s ARG 276 Cb 0.08 -2.10 -0.14 0.00 0.52 0.00 0.00 34.95 33.32 3a79 s ARG 276 CO 0.63 -1.05 2.84 -2.30 0.02 0.00 0.00 175.30 175.45 3a79 n PRO 277 N -2.92 2.54 -3.92 3.54 -0.02 -1.26 -4.32 135.00 128.64 3a79 n PRO 277 Ca 0.06 -1.49 -0.35 0.00 -2.02 0.00 0.00 63.50 59.70 3a79 n PRO 277 Cb 0.58 -2.37 -0.14 0.00 -0.02 0.00 0.00 33.50 31.55 3a79 n PRO 277 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3a79 s VAL 278 N 2.11 3.13 -0.17 -1.45 1.01 -1.26 -2.49 120.40 121.28 3a79 s VAL 278 Ca 0.58 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 3a79 s VAL 278 Cb 0.20 -2.54 -0.23 0.00 0.00 0.00 0.00 36.38 33.81 3a79 s VAL 278 CO -0.03 0.26 0.52 -0.08 0.00 0.00 0.00 175.10 175.77 3a79 h GLU 279 N 8.07 0.01 -5.16 2.72 4.81 -1.62 -2.64 114.58 120.76 3a79 h GLU 279 Ca -0.36 -0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.19 3a79 h GLU 279 Cb 1.13 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 30.19 3a79 h GLU 279 CO 0.59 1.01 -0.82 0.71 -0.73 0.00 0.00 179.01 179.76 3a79 s TYR 280 N -2.29 2.76 -0.18 0.92 1.51 -1.26 0.13 117.35 118.94 3a79 s TYR 280 Ca -0.23 -1.20 -0.03 0.00 -1.01 0.00 0.00 57.07 54.60 3a79 s TYR 280 Cb 0.01 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 3a79 s TYR 280 CO 0.65 -0.56 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.30 3a79 s LEU 281 N 0.93 2.99 -0.04 -1.29 2.96 0.16 -1.07 118.68 123.30 3a79 s LEU 281 Ca -0.04 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 3a79 s LEU 281 Cb -0.15 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.81 3a79 s LEU 281 CO -0.03 0.09 -0.17 0.20 -1.32 0.00 0.00 176.35 175.13 3a79 s ASN 282 N 0.82 2.10 -0.07 3.68 0.01 0.57 -1.38 114.94 120.68 3a79 s ASN 282 Ca -0.02 -0.34 0.02 0.00 -0.71 0.00 0.00 52.86 51.81 3a79 s ASN 282 Cb -0.15 -0.59 0.01 0.00 0.41 0.00 0.00 41.25 40.94 3a79 s ASN 282 CO 0.01 0.15 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.99 3a79 s ILE 283 N 0.05 1.23 -0.10 0.60 1.01 0.23 -0.39 121.20 123.82 3a79 s ILE 283 Ca -0.04 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.10 3a79 s ILE 283 Cb -0.11 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.25 3a79 s ILE 283 CO 0.02 0.38 -0.18 -0.31 0.00 0.00 0.00 174.94 174.85 3a79 s TYR 284 N 0.64 2.11 -1.04 3.97 2.02 0.18 -1.63 117.35 123.59 3a79 s TYR 284 Ca -0.15 -0.94 -0.06 0.00 -0.37 0.00 0.00 57.07 55.55 3a79 s TYR 284 Cb -0.16 -1.48 -0.07 0.00 -0.40 0.00 0.00 41.96 39.86 3a79 s TYR 284 CO 0.04 -0.44 0.91 -1.71 -1.57 0.00 0.00 175.55 172.78 3a79 n ASN 285 N 3.95 -6.55 -4.77 2.29 5.15 -0.43 -0.60 115.26 114.29 3a79 n ASN 285 Ca -0.20 -0.70 -0.39 0.00 -0.60 0.00 0.00 54.58 52.69 3a79 n ASN 285 Cb 0.52 -5.16 -0.06 0.00 -0.53 0.00 0.00 39.78 34.55 3a79 n ASN 285 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3a79 s LEU 286 N -5.37 4.55 -0.33 1.20 2.96 -0.75 -2.89 118.68 118.06 3a79 s LEU 286 Ca 0.45 1.73 0.01 0.00 -0.22 0.00 0.00 54.13 56.09 3a79 s LEU 286 Cb -0.06 -3.51 0.10 0.00 0.50 0.00 0.00 46.19 43.22 3a79 s LEU 286 CO 0.73 0.14 0.09 -0.89 -1.32 0.00 0.00 176.35 175.10 3a79 s THR 287 N -1.26 1.31 0.25 3.68 2.01 -0.17 -0.76 115.64 120.70 3a79 s THR 287 Ca 0.40 -1.74 -0.30 0.00 0.31 0.00 0.00 61.69 60.36 3a79 s THR 287 Cb -0.23 -1.98 -0.10 0.00 0.01 0.00 0.00 72.50 70.20 3a79 s THR 287 CO 0.27 -0.67 1.43 -0.63 -0.69 0.00 0.00 174.62 174.33 3a79 s ILE 288 N 1.34 2.69 -0.01 1.82 -1.09 -0.93 -1.40 121.20 123.62 3a79 s ILE 288 Ca 0.11 0.58 -0.03 0.00 -2.23 0.00 0.00 60.65 59.08 3a79 s ILE 288 Cb -0.18 -3.37 -0.01 0.00 -1.58 0.00 0.00 42.46 37.32 3a79 s ILE 288 CO -0.19 0.09 -0.05 0.41 -1.23 0.00 0.00 174.94 173.97 3a79 n THR 289 N 2.35 0.44 -0.07 2.92 -1.04 0.03 -2.33 114.28 116.58 3a79 n THR 289 Ca 0.07 0.25 -0.08 0.00 -2.04 0.00 0.00 64.05 62.25 3a79 n THR 289 Cb 0.40 -1.46 -0.09 0.00 -1.82 0.00 0.00 70.33 67.36 3a79 n THR 289 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3a79 n GLU 290 N -2.96 1.39 -3.48 -2.82 1.02 -1.26 -4.53 120.64 108.00 3a79 n GLU 290 Ca -0.02 0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.05 3a79 n GLU 290 Cb 0.08 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 3a79 n GLU 290 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3a79 s ARG 291 N -2.30 0.97 -0.28 3.49 1.70 -1.26 -4.90 118.95 116.37 3a79 s ARG 291 Ca -0.12 -0.29 0.01 0.00 -0.47 0.00 0.00 55.73 54.86 3a79 s ARG 291 Cb 0.04 0.45 0.08 0.00 -0.57 0.00 0.00 34.95 34.96 3a79 s ARG 291 CO 0.45 -0.41 0.03 0.42 -1.08 0.00 0.00 175.30 174.71 3a79 s ILE 292 N -3.05 1.37 0.48 4.99 1.01 -1.26 -3.75 121.20 120.99 3a79 s ILE 292 Ca 0.02 -1.45 0.04 0.00 0.00 0.00 0.00 60.65 59.26 3a79 s ILE 292 Cb -0.01 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 3a79 s ILE 292 CO -0.08 -0.41 0.13 -1.81 0.00 0.00 0.00 174.94 172.77 3a79 s ASP 293 N 1.41 4.26 -0.23 3.58 1.11 -1.26 -4.38 116.67 121.16 3a79 s ASP 293 Ca 0.03 -1.39 -0.29 0.00 0.18 0.00 0.00 52.55 51.08 3a79 s ASP 293 Cb -0.18 0.11 -0.01 0.00 1.07 0.00 0.00 42.92 43.91 3a79 s ASP 293 CO -0.13 -0.77 1.38 -0.13 1.18 0.00 0.00 175.17 176.70 3a79 s ARG 294 N -3.94 3.99 -0.01 8.23 0.52 -1.26 -4.79 118.95 121.69 3a79 s ARG 294 Ca 0.25 1.50 0.01 0.00 -0.52 0.00 0.00 55.73 56.97 3a79 s ARG 294 Cb 0.03 -3.89 -0.04 0.00 0.52 0.00 0.00 34.95 31.57 3a79 s ARG 294 CO 0.14 -1.03 0.01 -1.21 0.02 0.00 0.00 175.30 173.23 3a79 s GLU 295 N 4.09 2.85 0.23 3.54 0.41 -1.26 -5.09 118.70 123.47 3a79 s GLU 295 Ca 0.60 -0.57 -0.30 0.00 -0.41 0.00 0.00 54.97 54.30 3a79 s GLU 295 Cb -0.21 -2.71 -0.09 0.00 -1.78 0.00 0.00 34.13 29.34 3a79 s GLU 295 CO 0.22 0.64 1.24 -1.21 -0.49 0.00 0.00 175.26 175.67 3a79 s GLU 296 N -1.50 4.45 -0.23 1.61 0.41 -1.26 -5.02 118.70 117.16 3a79 s GLU 296 Ca 0.19 1.99 -0.27 0.00 -0.41 0.00 0.00 54.97 56.47 3a79 s GLU 296 Cb -0.12 -3.19 0.12 0.00 -1.78 0.00 0.00 34.13 29.17 3a79 s GLU 296 CO 0.10 -0.12 1.00 -0.59 -0.49 0.00 0.00 175.26 175.15 3a79 s PHE 297 N -0.34 -0.45 -0.02 1.61 -0.12 -1.26 -4.93 117.98 112.47 3a79 s PHE 297 Ca 0.52 0.99 0.01 0.00 -0.05 0.00 0.00 56.93 58.41 3a79 s PHE 297 Cb -0.35 0.39 0.01 0.00 -0.63 0.00 0.00 43.02 42.44 3a79 s PHE 297 CO 0.41 -0.29 -0.04 0.95 -0.05 0.00 0.00 175.22 176.19 3a79 s THR 298 N -0.30 0.42 -0.42 -4.49 -4.23 -1.26 -5.12 115.64 100.23 3a79 s THR 298 Ca 0.01 -0.14 -0.15 0.00 -1.18 0.00 0.00 61.69 60.22 3a79 s THR 298 Cb -0.03 -0.41 0.03 0.00 1.34 0.00 0.00 72.50 73.43 3a79 s THR 298 CO -0.03 0.16 0.33 -0.31 -0.54 0.00 0.00 174.62 174.24 3a79 s TYR 299 N 0.38 3.23 0.50 3.99 1.51 -1.26 -5.04 117.35 120.66 3a79 s TYR 299 Ca -0.04 -0.60 0.08 0.00 -1.01 0.00 0.00 57.07 55.50 3a79 s TYR 299 Cb -0.08 -2.71 0.04 0.00 -0.11 0.00 0.00 41.96 39.10 3a79 s TYR 299 CO -0.00 -0.64 0.62 -1.12 -1.11 0.00 0.00 175.55 173.30 3a79 s SER 300 N 1.82 5.19 -0.03 2.29 0.01 -1.26 -4.89 113.70 116.83 3a79 s SER 300 Ca 0.06 -0.76 -0.28 0.00 1.31 0.00 0.00 55.95 56.28 3a79 s SER 300 Cb -0.19 -0.08 -0.14 0.00 0.21 0.00 0.00 66.02 65.82 3a79 s SER 300 CO 0.10 -1.05 0.76 -1.84 0.41 0.00 0.00 173.24 171.63 3a79 n GLU 301 N -1.97 0.00 -4.03 12.44 0.00 -1.26 -4.94 120.64 120.88 3a79 n GLU 301 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.18 3a79 n GLU 301 Cb 0.61 -1.01 -0.10 0.00 0.00 0.00 0.00 31.44 30.94 3a79 n GLU 301 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 3a79 s THR 302 N 0.21 0.18 -0.38 3.84 -1.32 -1.26 -4.74 115.64 112.17 3a79 s THR 302 Ca 0.63 -1.45 0.21 0.00 -1.21 0.00 0.00 61.69 59.86 3a79 s THR 302 Cb -0.87 -1.11 0.27 0.00 -1.51 0.00 0.00 72.50 69.28 3a79 s THR 302 CO 0.40 -0.80 1.56 0.00 -2.21 0.00 0.00 174.62 173.57 3a79 h ALA 303 N 3.58 0.92 -1.64 11.08 0.00 -1.75 -3.47 119.26 127.98 3a79 h ALA 303 Ca -0.33 -0.10 -0.71 0.00 0.00 0.00 0.00 54.91 53.77 3a79 h ALA 303 Cb 1.17 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.97 3a79 h ALA 303 CO 0.57 0.14 0.82 1.28 0.00 0.00 0.00 179.25 182.06 3a79 n LEU 304 N -3.12 2.34 -0.09 0.00 4.77 -1.00 -4.46 117.00 115.44 3a79 n LEU 304 Ca 0.03 1.08 -0.10 0.00 -0.03 0.00 0.00 56.01 56.99 3a79 n LEU 304 Cb 0.58 -1.18 -0.16 0.00 -2.33 0.00 0.00 43.42 40.33 3a79 n LEU 304 CO 0.36 -0.53 -1.09 1.17 -1.33 0.00 0.00 177.39 175.97 3a79 n LYS 305 N 4.82 0.68 -3.61 3.23 4.81 0.12 -4.53 118.16 123.68 3a79 n LYS 305 Ca 0.24 0.03 -0.10 0.00 -0.87 0.00 0.00 58.31 57.62 3a79 n LYS 305 Cb 0.16 -1.55 -0.10 0.00 0.02 0.00 0.00 35.03 33.56 3a79 n LYS 305 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3a79 s SER 306 N -5.61 -0.01 -0.06 3.14 0.15 -0.95 -1.45 113.70 108.91 3a79 s SER 306 Ca -0.10 0.76 -0.13 0.00 0.70 0.00 0.00 55.95 57.18 3a79 s SER 306 Cb 0.06 1.15 -0.05 0.00 -1.71 0.00 0.00 66.02 65.47 3a79 s SER 306 CO 0.82 -0.25 0.33 -0.22 1.20 0.00 0.00 173.24 175.13 3a79 s LEU 307 N 2.55 4.40 -0.17 3.45 2.96 -0.62 -0.67 118.68 130.59 3a79 s LEU 307 Ca 0.01 0.76 -0.04 0.00 -0.22 0.00 0.00 54.13 54.64 3a79 s LEU 307 Cb -0.13 -2.44 0.07 0.00 0.50 0.00 0.00 46.19 44.19 3a79 s LEU 307 CO -0.12 0.28 0.13 -0.32 -1.32 0.00 0.00 176.35 175.00 3a79 s MET 308 N -0.69 0.09 -0.10 1.98 -2.45 -0.48 -1.44 119.30 116.21 3a79 s MET 308 Ca 0.20 0.07 0.02 0.00 -1.25 0.00 0.00 55.69 54.73 3a79 s MET 308 Cb -0.15 -1.47 -0.02 0.00 1.25 0.00 0.00 34.83 34.45 3a79 s MET 308 CO 0.09 -0.62 -0.15 0.42 1.05 0.00 0.00 175.02 175.81 3a79 s ILE 309 N 2.20 2.91 -0.05 10.11 1.01 0.46 -0.60 121.20 137.25 3a79 s ILE 309 Ca 0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 3a79 s ILE 309 Cb -0.15 -2.18 0.03 0.00 0.01 0.00 0.00 42.46 40.17 3a79 s ILE 309 CO -0.09 0.55 0.09 -0.70 0.00 0.00 0.00 174.94 174.78 3a79 s GLU 310 N 0.03 -0.00 -0.06 2.79 2.12 -0.65 -0.52 118.70 122.40 3a79 s GLU 310 Ca -0.05 0.33 -0.00 0.00 0.36 0.00 0.00 54.97 55.60 3a79 s GLU 310 Cb -0.15 -0.29 0.00 0.00 0.26 0.00 0.00 34.13 33.96 3a79 s GLU 310 CO 0.04 -0.22 0.01 1.58 -0.54 0.00 0.00 175.26 176.13 3a79 n HIS 311 N 4.57 -0.87 -4.03 5.30 -0.00 0.24 -1.31 115.22 119.12 3a79 n HIS 311 Ca -0.19 0.40 -0.31 0.00 -0.00 0.00 0.00 57.72 57.62 3a79 n HIS 311 Cb 0.50 -2.04 -0.16 0.00 -0.00 0.00 0.00 29.99 28.30 3a79 n HIS 311 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3a79 s VAL 312 N -0.32 1.78 -0.09 3.57 1.01 0.10 -1.80 120.40 124.65 3a79 s VAL 312 Ca -0.01 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 3a79 s VAL 312 Cb 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 3a79 s VAL 312 CO 0.17 0.25 0.37 -0.54 0.00 0.00 0.00 175.10 175.34 3a79 s LYS 313 N 1.35 4.09 -0.13 2.72 1.02 0.06 -3.89 119.74 124.96 3a79 s LYS 313 Ca -0.00 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.28 3a79 s LYS 313 Cb -0.16 -3.33 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 3a79 s LYS 313 CO -0.09 0.43 -0.15 1.21 -0.92 0.00 0.00 175.35 175.84 3a79 s ASN 314 N -0.19 2.56 0.00 2.83 2.47 -1.26 -2.19 114.94 119.16 3a79 s ASN 314 Ca 0.21 -0.45 0.23 0.00 0.42 0.00 0.00 52.86 53.27 3a79 s ASN 314 Cb -0.15 -1.13 0.14 0.00 -1.45 0.00 0.00 41.25 38.66 3a79 s ASN 314 CO 0.09 -0.02 1.17 0.00 -3.72 0.00 0.00 177.10 174.62 3a79 n GLN 315 N 4.49 0.70 -3.49 0.43 6.02 -0.98 -4.86 117.38 119.69 3a79 n GLN 315 Ca -0.18 -0.54 -0.38 0.00 -0.01 0.00 0.00 57.00 55.89 3a79 n GLN 315 Cb 0.51 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.22 3a79 n GLN 315 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3a79 s VAL 316 N -2.67 5.11 -0.07 5.09 1.01 -1.26 -4.99 120.40 122.61 3a79 s VAL 316 Ca 0.16 0.80 0.02 0.00 0.00 0.00 0.00 61.98 62.96 3a79 s VAL 316 Cb 0.18 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 3a79 s VAL 316 CO 0.65 0.52 -0.04 0.49 0.00 0.00 0.00 175.10 176.73 3a79 n PHE 317 N 2.31 0.00 -3.63 5.22 3.01 -1.26 -4.94 117.46 118.16 3a79 n PHE 317 Ca -0.13 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.95 3a79 n PHE 317 Cb 0.52 -0.30 -0.11 0.00 -0.01 0.00 0.00 39.48 39.57 3a79 n PHE 317 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3a79 s LEU 318 N -5.08 4.03 -0.16 4.37 1.43 -1.26 -5.06 118.68 116.95 3a79 s LEU 318 Ca -0.08 -0.30 -0.33 0.00 -1.03 0.00 0.00 54.13 52.40 3a79 s LEU 318 Cb 0.02 -2.04 0.14 0.00 0.03 0.00 0.00 46.19 44.34 3a79 s LEU 318 CO 0.21 -0.13 1.13 0.72 0.23 0.00 0.00 176.35 178.51 3a79 s PHE 319 N 1.67 -0.20 -0.24 0.29 -0.12 -1.26 -4.78 117.98 113.35 3a79 s PHE 319 Ca 0.06 0.19 -0.29 0.00 -0.05 0.00 0.00 56.93 56.83 3a79 s PHE 319 Cb -0.16 0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 42.72 3a79 s PHE 319 CO 0.08 -0.27 1.44 0.45 -0.05 0.00 0.00 175.22 176.86 3a79 s SER 320 N -1.94 6.59 0.58 1.98 0.15 -1.26 -4.88 113.70 114.92 3a79 s SER 320 Ca 0.07 1.48 0.30 0.00 0.70 0.00 0.00 55.95 58.50 3a79 s SER 320 Cb -0.01 -2.54 1.76 0.00 -1.71 0.00 0.00 66.02 63.52 3a79 s SER 320 CO -0.05 -1.10 2.21 0.11 1.20 0.00 0.00 173.24 175.61 3a79 h LYS 321 N 9.72 0.00 -0.21 5.44 6.56 -1.99 -0.19 116.57 135.90 3a79 h LYS 321 Ca -0.30 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.34 3a79 h LYS 321 Cb 1.12 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.74 3a79 h LYS 321 CO 1.01 0.04 -0.08 0.93 -2.06 0.00 0.00 179.45 179.29 3a79 h GLU 322 N 0.00 -0.04 -0.63 3.15 5.08 -1.98 0.34 114.58 120.50 3a79 h GLU 322 Ca -0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 3a79 h GLU 322 Cb 0.11 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3a79 h GLU 322 CO 0.00 -0.03 0.52 0.00 -1.00 0.00 0.00 179.01 178.51 3a79 h ALA 323 N 1.15 2.49 0.00 3.43 0.00 -1.36 -0.09 119.26 124.88 3a79 h ALA 323 Ca 0.11 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 3a79 h ALA 323 Cb 0.21 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3a79 h ALA 323 CO -0.24 -0.84 -1.69 -0.11 0.00 0.00 0.00 179.25 176.37 3a79 n LEU 324 N -4.05 1.91 0.16 0.00 7.94 -1.01 -4.48 117.00 117.47 3a79 n LEU 324 Ca 0.12 0.40 0.01 0.00 -1.11 0.00 0.00 56.01 55.43 3a79 n LEU 324 Cb 0.76 -0.86 0.25 0.00 0.53 0.00 0.00 43.42 44.10 3a79 n LEU 324 CO 0.34 0.25 0.59 1.88 -1.11 0.00 0.00 177.39 179.33 3a79 h TYR 325 N -1.00 0.00 -0.25 1.96 0.99 -0.47 -3.14 116.97 115.06 3a79 h TYR 325 Ca -0.41 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.19 3a79 h TYR 325 Cb 1.31 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 39.03 3a79 h TYR 325 CO -0.09 0.51 -0.38 0.66 -0.00 0.00 0.00 178.16 178.87 3a79 h SER 326 N 0.00 0.59 -1.04 3.88 4.64 -1.24 -0.65 113.55 119.73 3a79 h SER 326 Ca -0.01 -0.25 0.30 0.00 -0.47 0.00 0.00 61.79 61.36 3a79 h SER 326 Cb 0.95 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.83 3a79 h SER 326 CO 0.07 0.91 0.75 0.58 -0.87 0.00 0.00 176.83 178.27 3a79 h VAL 327 N 0.47 0.48 0.06 0.95 2.07 -1.75 -0.74 116.25 117.78 3a79 h VAL 327 Ca 0.05 -0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.19 3a79 h VAL 327 Cb 0.87 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3a79 h VAL 327 CO 0.07 0.00 -2.18 0.49 0.02 0.00 0.00 177.57 175.97 3a79 n PHE 328 N -4.23 0.63 -0.30 1.57 3.01 -0.97 -4.48 117.46 112.70 3a79 n PHE 328 Ca 0.22 0.15 -0.04 0.00 1.01 0.00 0.00 57.45 58.79 3a79 n PHE 328 Cb 1.11 -1.08 0.07 0.00 -0.01 0.00 0.00 39.48 39.57 3a79 n PHE 328 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3a79 h ALA 329 N -0.08 1.04 -0.05 4.37 0.00 -0.21 -1.77 119.26 122.55 3a79 h ALA 329 Ca -0.50 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3a79 h ALA 329 Cb 1.90 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 3a79 h ALA 329 CO -0.04 0.48 0.00 0.39 0.00 0.00 0.00 179.25 180.07 3a79 n GLU 330 N -4.49 1.33 -2.90 0.00 1.02 -0.37 -4.55 120.64 110.68 3a79 n GLU 330 Ca 0.08 -0.27 -0.39 0.00 -0.02 0.00 0.00 57.16 56.56 3a79 n GLU 330 Cb 0.04 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 3a79 n GLU 330 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3a79 s MET 331 N -1.10 4.61 -0.73 3.49 -1.94 -0.67 -4.78 119.30 118.18 3a79 s MET 331 Ca 0.05 1.24 0.00 0.00 -1.71 0.00 0.00 55.69 55.26 3a79 s MET 331 Cb 0.04 -3.15 0.37 0.00 2.01 0.00 0.00 34.83 34.10 3a79 s MET 331 CO 0.01 0.49 1.76 0.27 -0.01 0.00 0.00 175.02 177.54 3a79 n ASN 332 N 1.30 6.70 -4.77 3.03 6.94 -1.26 -4.70 115.26 122.49 3a79 n ASN 332 Ca -0.03 -3.80 -0.24 0.00 -0.02 0.00 0.00 54.58 50.48 3a79 n ASN 332 Cb 0.49 -0.89 -0.06 0.00 -2.36 0.00 0.00 39.78 36.96 3a79 n ASN 332 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3a79 s ILE 333 N -5.21 2.31 0.01 1.53 -4.36 -1.26 -4.88 121.20 109.33 3a79 s ILE 333 Ca 0.51 -1.63 0.01 0.00 -0.26 0.00 0.00 60.65 59.28 3a79 s ILE 333 Cb 0.43 -2.93 -0.26 0.00 1.25 0.00 0.00 42.46 40.95 3a79 s ILE 333 CO -0.35 0.00 0.88 0.11 0.24 0.00 0.00 174.94 175.82 3a79 h LYS 334 N 1.31 0.17 -4.49 0.37 1.57 -1.74 -3.07 116.57 110.69 3a79 h LYS 334 Ca -0.42 -0.29 -0.54 0.00 -1.87 0.00 0.00 60.65 57.53 3a79 h LYS 334 Cb 1.26 0.11 -0.35 0.00 0.08 0.00 0.00 32.23 33.33 3a79 h LYS 334 CO 0.67 1.00 -0.82 -1.64 -0.57 0.00 0.00 179.45 178.09 3a79 s MET 335 N -2.63 1.78 -0.14 3.15 -1.94 -0.53 -0.31 119.30 118.69 3a79 s MET 335 Ca -0.07 -0.40 0.00 0.00 -1.71 0.00 0.00 55.69 53.51 3a79 s MET 335 Cb 0.07 -1.60 0.02 0.00 2.01 0.00 0.00 34.83 35.34 3a79 s MET 335 CO 0.84 -0.10 -0.13 -1.17 -0.01 0.00 0.00 175.02 174.45 3a79 s LEU 336 N 1.10 1.61 -0.14 -0.03 2.96 -0.75 -1.59 118.68 121.83 3a79 s LEU 336 Ca -0.06 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 3a79 s LEU 336 Cb -0.14 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 3a79 s LEU 336 CO -0.02 -0.06 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.36 3a79 s SER 337 N 1.50 3.75 -0.22 3.68 0.01 -0.52 -2.19 113.70 119.70 3a79 s SER 337 Ca 0.04 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 3a79 s SER 337 Cb -0.13 -1.57 0.06 0.00 0.21 0.00 0.00 66.02 64.60 3a79 s SER 337 CO -0.10 0.12 0.02 -0.63 0.41 0.00 0.00 173.24 173.06 3a79 s ILE 338 N 0.60 0.86 0.11 1.44 1.01 -0.46 -0.40 121.20 124.36 3a79 s ILE 338 Ca -0.09 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.77 3a79 s ILE 338 Cb -0.16 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 3a79 s ILE 338 CO 0.03 -0.24 -0.15 -0.44 0.00 0.00 0.00 174.94 174.14 3a79 s SER 339 N 1.69 2.03 -1.10 3.58 0.01 0.32 -3.85 113.70 116.38 3a79 s SER 339 Ca -0.01 -0.74 -0.08 0.00 1.31 0.00 0.00 55.95 56.43 3a79 s SER 339 Cb -0.18 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 3a79 s SER 339 CO -0.09 -0.09 0.89 -0.67 0.41 0.00 0.00 173.24 173.69 3a79 n ASP 340 N 0.81 -5.54 -4.30 2.44 2.03 -0.14 -0.59 116.55 111.26 3a79 n ASP 340 Ca -0.17 -0.76 -0.16 0.00 0.52 0.00 0.00 54.79 54.22 3a79 n ASP 340 Cb 0.56 -4.81 -0.10 0.00 -0.72 0.00 0.00 41.12 36.04 3a79 n ASP 340 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3a79 s THR 341 N -3.42 0.49 -2.02 5.18 -4.23 -1.17 -0.72 115.64 109.76 3a79 s THR 341 Ca 0.38 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.98 3a79 s THR 341 Cb -0.07 -2.58 0.23 0.00 1.34 0.00 0.00 72.50 71.41 3a79 s THR 341 CO 0.76 -0.03 1.28 -0.81 -0.54 0.00 0.00 174.62 175.28 3a79 n PRO 342 N -0.42 1.16 -1.92 3.99 -0.05 -1.25 -4.32 135.00 132.19 3a79 n PRO 342 Ca -0.00 -0.25 -0.40 0.00 -0.05 0.00 0.00 63.50 62.80 3a79 n PRO 342 Cb 0.66 -1.15 0.00 0.00 -0.05 0.00 0.00 33.50 32.97 3a79 n PRO 342 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 3a79 s PHE 343 N -1.92 2.65 -1.69 0.54 0.08 -1.26 -4.69 117.98 111.69 3a79 s PHE 343 Ca 0.13 1.32 0.15 0.00 0.12 0.00 0.00 56.93 58.66 3a79 s PHE 343 Cb 0.07 -3.81 0.07 0.00 -0.57 0.00 0.00 43.02 38.78 3a79 s PHE 343 CO 0.10 -2.53 0.91 0.44 -0.10 0.00 0.00 175.22 174.04 3a79 n ILE 344 N 0.04 0.00 -3.62 0.64 -5.35 -1.26 -0.81 119.36 109.00 3a79 n ILE 344 Ca 0.04 -0.45 -0.02 0.00 -0.27 0.00 0.00 62.75 62.05 3a79 n ILE 344 Cb 0.42 1.26 -0.01 0.00 -1.74 0.00 0.00 39.64 39.57 3a79 n ILE 344 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3a79 s HIS 345 N -1.44 -0.12 -0.01 4.28 5.04 -1.26 -3.85 115.29 117.93 3a79 s HIS 345 Ca 0.16 -0.01 -0.00 0.00 -1.54 0.00 0.00 55.06 53.67 3a79 s HIS 345 Cb 0.12 0.55 0.02 0.00 0.04 0.00 0.00 32.58 33.31 3a79 s HIS 345 CO 0.25 -0.37 0.02 1.41 -2.34 0.00 0.00 174.74 173.71 3a79 s MET 346 N -2.64 -0.01 0.49 2.88 1.75 -1.26 -5.02 119.30 115.49 3a79 s MET 346 Ca 0.11 0.11 -0.21 0.00 -1.25 0.00 0.00 55.69 54.46 3a79 s MET 346 Cb 0.01 -0.13 -0.08 0.00 2.84 0.00 0.00 34.83 37.47 3a79 s MET 346 CO -0.04 -0.09 1.08 0.08 -0.65 0.00 0.00 175.02 175.40 3a79 s VAL 347 N 0.59 3.55 0.08 10.11 1.01 -1.26 -4.29 120.40 130.19 3a79 s VAL 347 Ca -0.05 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 3a79 s VAL 347 Cb -0.07 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3a79 s VAL 347 CO -0.02 -0.17 1.10 0.00 0.00 0.00 0.00 175.10 176.01 3a79 n PRO 349 N 3.44 1.20 0.12 0.00 -0.02 -1.26 -4.87 135.00 133.61 3a79 n PRO 349 Ca 0.06 0.42 -0.02 0.00 -2.02 0.00 0.00 63.50 61.94 3a79 n PRO 349 Cb 0.48 -1.82 0.15 0.00 -0.02 0.00 0.00 33.50 32.29 3a79 n PRO 349 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3a79 h PRO 350 N 2.46 0.06 -5.63 0.52 0.11 -1.94 -3.44 132.00 124.14 3a79 h PRO 350 Ca -0.40 -0.04 -0.46 0.00 0.11 0.00 0.00 66.00 65.20 3a79 h PRO 350 Cb 1.35 0.01 -0.16 0.00 0.11 0.00 0.00 31.00 32.31 3a79 h PRO 350 CO 0.64 0.67 -0.75 -1.12 -0.21 0.00 0.00 178.00 177.23 3a79 s SER 351 N -6.86 2.50 -0.35 -2.05 0.01 -1.26 -5.08 113.70 100.60 3a79 s SER 351 Ca -0.02 -0.95 -0.41 0.00 1.31 0.00 0.00 55.95 55.89 3a79 s SER 351 Cb 0.12 -0.13 -0.16 0.00 0.21 0.00 0.00 66.02 66.07 3a79 s SER 351 CO 0.77 -0.14 1.87 -2.65 0.41 0.00 0.00 173.24 173.51 3a79 n PRO 352 N -0.07 0.83 -1.55 12.44 -0.02 -1.26 -4.94 135.00 140.43 3a79 n PRO 352 Ca -0.10 0.29 -0.12 0.00 -2.02 0.00 0.00 63.50 61.55 3a79 n PRO 352 Cb 0.59 -2.02 0.06 0.00 -0.02 0.00 0.00 33.50 32.11 3a79 n PRO 352 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3a79 n SER 353 N 6.41 0.64 0.00 2.55 3.41 -1.01 -5.02 113.62 120.59 3a79 n SER 353 Ca 0.34 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 3a79 n SER 353 Cb 0.10 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3a79 n SER 353 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3a79 n SER 354 N -2.98 1.09 -4.64 4.04 3.41 -1.26 -4.69 113.62 108.59 3a79 n SER 354 Ca 0.08 -1.31 -0.55 0.00 -0.26 0.00 0.00 58.87 56.83 3a79 n SER 354 Cb 0.29 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 3a79 n SER 354 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3a79 n PHE 355 N -0.16 1.69 -0.04 7.33 0.99 -1.16 -4.39 117.46 121.72 3a79 n PHE 355 Ca 0.00 0.64 0.00 0.00 -0.00 0.00 0.00 57.45 58.09 3a79 n PHE 355 Cb 0.16 -2.37 0.00 0.00 -1.00 0.00 0.00 39.48 36.27 3a79 n PHE 355 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3a79 n THR 356 N 3.33 0.00 -3.71 4.37 -2.24 0.57 -2.03 114.28 114.57 3a79 n THR 356 Ca 0.22 -0.47 -0.16 0.00 -2.27 0.00 0.00 64.05 61.38 3a79 n THR 356 Cb 0.15 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.27 3a79 n THR 356 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3a79 s PHE 357 N -0.39 -0.14 -0.05 4.78 5.36 -0.66 -1.44 117.98 125.44 3a79 s PHE 357 Ca 0.00 0.50 0.01 0.00 -0.96 0.00 0.00 56.93 56.48 3a79 s PHE 357 Cb 0.00 -0.21 0.02 0.00 -0.34 0.00 0.00 43.02 42.50 3a79 s PHE 357 CO 0.00 -0.21 -0.04 -0.51 -1.46 0.00 0.00 175.22 173.00 3a79 s LEU 358 N 1.76 1.24 -0.32 6.12 1.43 -0.13 -1.81 118.68 126.97 3a79 s LEU 358 Ca -0.02 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3a79 s LEU 358 Cb -0.12 -0.44 0.12 0.00 0.03 0.00 0.00 46.19 45.77 3a79 s LEU 358 CO -0.05 -0.07 0.16 0.21 0.23 0.00 0.00 176.35 176.83 3a79 s ASN 359 N 1.04 3.40 -0.85 2.29 3.84 -0.93 0.18 114.94 123.91 3a79 s ASN 359 Ca -0.09 -1.73 0.01 0.00 0.21 0.00 0.00 52.86 51.26 3a79 s ASN 359 Cb -0.14 -0.47 0.30 0.00 -0.55 0.00 0.00 41.25 40.39 3a79 s ASN 359 CO -0.01 -0.38 1.22 0.49 -2.79 0.00 0.00 177.10 175.63 3a79 n PHE 360 N 4.67 3.09 -2.60 0.43 3.01 0.61 -1.36 117.46 125.31 3a79 n PHE 360 Ca 0.02 -3.32 -0.40 0.00 1.01 0.00 0.00 57.45 54.76 3a79 n PHE 360 Cb 0.40 -0.89 -0.05 0.00 -0.01 0.00 0.00 39.48 38.92 3a79 n PHE 360 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3a79 s THR 361 N -3.25 3.75 -1.13 4.37 2.01 -1.25 -4.34 115.64 115.80 3a79 s THR 361 Ca 0.38 1.74 -0.12 0.00 0.31 0.00 0.00 61.69 64.01 3a79 s THR 361 Cb 0.14 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 3a79 s THR 361 CO -0.01 0.40 0.84 1.67 -0.69 0.00 0.00 174.62 176.82 3a79 n GLN 362 N 1.25 -2.29 0.00 4.92 7.27 0.08 -0.96 117.38 127.66 3a79 n GLN 362 Ca -0.01 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.71 3a79 n GLN 362 Cb 0.46 -5.00 0.00 0.00 2.41 0.00 0.00 30.24 28.11 3a79 n GLN 362 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3a79 n ASN 363 N -2.96 0.00 -2.56 1.69 5.03 -1.14 -1.80 115.26 113.52 3a79 n ASN 363 Ca -0.12 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.21 3a79 n ASN 363 Cb 0.62 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.41 3a79 n ASN 363 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3a79 n VAL 364 N 0.00 1.63 -1.38 2.41 0.31 0.01 -4.52 118.33 116.79 3a79 n VAL 364 Ca 0.00 -3.56 -0.32 0.00 -0.01 0.00 0.00 64.34 60.45 3a79 n VAL 364 Cb 0.00 0.20 0.08 0.00 -0.91 0.00 0.00 33.84 33.21 3a79 n VAL 364 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3a79 s PHE 365 N -3.53 2.49 0.44 3.52 0.40 -1.25 -4.27 117.98 115.78 3a79 s PHE 365 Ca 0.35 1.57 0.04 0.00 -0.60 0.00 0.00 56.93 58.29 3a79 s PHE 365 Cb 0.39 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.75 3a79 s PHE 365 CO -0.03 -1.88 0.03 0.95 0.70 0.00 0.00 175.22 175.00 3a79 s THR 366 N -2.66 1.29 -1.16 0.64 -4.23 -1.25 -1.28 115.64 106.99 3a79 s THR 366 Ca 0.64 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.29 3a79 s THR 366 Cb -0.19 -2.51 0.17 0.00 1.34 0.00 0.00 72.50 71.30 3a79 s THR 366 CO 0.51 0.00 1.43 -0.90 -0.54 0.00 0.00 174.62 175.12 3a79 n ASP 367 N -1.11 0.00 -0.00 3.99 3.85 -1.26 -1.74 116.55 120.27 3a79 n ASP 367 Ca -0.11 0.34 0.14 0.00 -0.71 0.00 0.00 54.79 54.45 3a79 n ASP 367 Cb 0.67 -0.42 0.54 0.00 -1.35 0.00 0.00 41.12 40.56 3a79 n ASP 367 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3a79 n SER 368 N -1.42 0.11 -4.65 -1.12 3.41 -1.26 -4.63 113.62 104.05 3a79 n SER 368 Ca 0.05 0.34 -0.47 0.00 -0.26 0.00 0.00 58.87 58.53 3a79 n SER 368 Cb 0.15 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 3a79 n SER 368 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3a79 n VAL 369 N -1.50 0.20 -2.63 -3.33 3.14 -0.71 -1.77 118.33 111.74 3a79 n VAL 369 Ca 0.07 -0.05 -0.16 0.00 -2.96 0.00 0.00 64.34 61.24 3a79 n VAL 369 Cb 0.34 -1.39 -0.00 0.00 -1.06 0.00 0.00 33.84 31.72 3a79 n VAL 369 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3a79 n PHE 370 N 2.93 -1.46 -1.79 1.45 0.99 -1.26 -4.90 117.46 113.42 3a79 n PHE 370 Ca 0.16 0.12 -0.42 0.00 -0.00 0.00 0.00 57.45 57.31 3a79 n PHE 370 Cb 0.28 -3.12 -0.03 0.00 -1.00 0.00 0.00 39.48 35.61 3a79 n PHE 370 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3a79 s GLN 371 N -5.24 4.16 -1.62 -1.08 -1.52 -0.73 -2.17 119.66 111.46 3a79 s GLN 371 Ca 0.09 2.51 -0.15 0.00 -1.95 0.00 0.00 55.36 55.86 3a79 s GLN 371 Cb -0.04 -3.45 0.12 0.00 -0.22 0.00 0.00 33.01 29.41 3a79 s GLN 371 CO 0.11 -0.77 0.84 0.41 -0.25 0.00 0.00 175.29 175.62 3a79 n GLY 372 N 4.08 -0.45 3.58 3.09 0.00 -1.26 -4.91 105.19 109.32 3a79 n GLY 372 Ca 0.17 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 3a79 n GLY 372 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a79 n SER 374 N 6.05 3.34 -0.34 0.00 3.41 -1.26 -4.38 113.62 120.43 3a79 n SER 374 Ca -0.01 -3.63 0.02 0.00 -0.26 0.00 0.00 58.87 54.99 3a79 n SER 374 Cb 0.49 -0.74 0.02 0.00 -0.26 0.00 0.00 64.21 63.72 3a79 n SER 374 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3a79 n THR 375 N -1.03 0.35 -2.32 6.66 5.66 -1.26 -4.63 114.28 117.70 3a79 n THR 375 Ca 0.47 -0.41 -0.17 0.00 -3.05 0.00 0.00 64.05 60.89 3a79 n THR 375 Cb 1.38 0.45 0.03 0.00 -1.55 0.00 0.00 70.33 70.64 3a79 n THR 375 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3a79 n LEU 376 N -0.25 3.84 0.00 1.09 4.77 -1.26 -2.40 117.00 122.79 3a79 n LEU 376 Ca 0.03 -4.29 0.11 0.00 -0.03 0.00 0.00 56.01 51.83 3a79 n LEU 376 Cb 0.64 -0.10 0.56 0.00 -2.33 0.00 0.00 43.42 42.20 3a79 n LEU 376 CO 0.00 1.81 0.86 0.29 -1.33 0.00 0.00 177.39 179.02 3a79 n LYS 377 N -0.63 0.31 -0.01 3.23 5.02 -1.26 -2.09 118.16 122.72 3a79 n LYS 377 Ca 0.32 0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.77 3a79 n LYS 377 Cb 0.89 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 34.24 3a79 n LYS 377 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3a79 n ARG 378 N -1.30 0.66 -1.66 1.97 1.74 -1.26 -3.50 116.66 113.31 3a79 n ARG 378 Ca 0.10 -0.15 -0.51 0.00 -0.77 0.00 0.00 57.85 56.52 3a79 n ARG 378 Cb 0.18 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 30.03 3a79 n ARG 378 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3a79 n LEU 379 N -2.35 3.02 -0.11 0.55 7.94 -0.86 -4.54 117.00 120.65 3a79 n LEU 379 Ca -0.07 0.92 -0.17 0.00 -1.11 0.00 0.00 56.01 55.57 3a79 n LEU 379 Cb 0.64 -1.30 -0.10 0.00 0.53 0.00 0.00 43.42 43.19 3a79 n LEU 379 CO 0.45 -0.24 -1.25 0.00 -1.11 0.00 0.00 177.39 175.24 3a79 n GLN 380 N 6.57 0.55 -3.98 1.96 6.02 -0.52 -1.84 117.38 126.14 3a79 n GLN 380 Ca 0.26 0.15 -0.27 0.00 -0.01 0.00 0.00 57.00 57.12 3a79 n GLN 380 Cb 0.25 -1.43 -0.17 0.00 1.02 0.00 0.00 30.24 29.90 3a79 n GLN 380 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3a79 s THR 381 N -2.45 1.17 -0.05 5.09 2.01 -1.04 -0.29 115.64 120.08 3a79 s THR 381 Ca -0.31 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 61.37 3a79 s THR 381 Cb 0.09 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 3a79 s THR 381 CO 0.50 0.39 -0.24 -0.22 -0.69 0.00 0.00 174.62 174.36 3a79 s LEU 382 N 1.59 2.05 -0.15 4.42 2.96 -0.61 -0.96 118.68 127.98 3a79 s LEU 382 Ca 0.04 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.46 3a79 s LEU 382 Cb -0.13 -1.31 0.03 0.00 0.50 0.00 0.00 46.19 45.28 3a79 s LEU 382 CO -0.08 0.24 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.47 3a79 s ILE 383 N -0.16 1.24 -0.12 6.68 1.01 0.13 -2.12 121.20 127.86 3a79 s ILE 383 Ca -0.03 -0.60 0.17 0.00 0.00 0.00 0.00 60.65 60.19 3a79 s ILE 383 Cb -0.13 -1.32 0.27 0.00 0.01 0.00 0.00 42.46 41.29 3a79 s ILE 383 CO 0.03 0.25 1.14 0.18 0.00 0.00 0.00 174.94 176.54 3a79 n LEU 384 N 4.85 2.15 -4.68 2.97 4.77 0.36 -0.29 117.00 127.12 3a79 n LEU 384 Ca -0.13 -2.94 -0.45 0.00 -0.03 0.00 0.00 56.01 52.46 3a79 n LEU 384 Cb 0.48 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3a79 n LEU 384 CO 0.18 0.71 1.14 1.67 -1.33 0.00 0.00 177.39 179.76 3a79 n GLN 385 N -1.28 2.21 -2.38 3.23 7.27 -1.10 -3.51 117.38 121.83 3a79 n GLN 385 Ca 0.15 0.79 -0.04 0.00 0.07 0.00 0.00 57.00 57.97 3a79 n GLN 385 Cb 0.65 -2.53 0.02 0.00 2.41 0.00 0.00 30.24 30.80 3a79 n GLN 385 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3a79 n ARG 386 N 2.78 -1.59 0.00 3.69 1.74 -0.91 -0.74 116.66 121.63 3a79 n ARG 386 Ca 0.14 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 3a79 n ARG 386 Cb 0.31 -3.29 0.00 0.00 -1.02 0.00 0.00 32.46 28.46 3a79 n ARG 386 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3a79 n ASN 387 N -1.29 1.06 -1.56 0.55 4.13 -1.23 -2.88 115.26 114.04 3a79 n ASN 387 Ca -0.06 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.06 3a79 n ASN 387 Cb 0.54 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 38.91 3a79 n ASN 387 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3a79 n GLY 388 N 2.91 5.42 3.64 7.41 0.00 -0.40 -4.24 105.19 119.94 3a79 n GLY 388 Ca 0.00 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 3a79 n GLY 388 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a79 s LEU 389 N -3.43 4.09 -0.10 0.99 1.43 -1.24 -4.52 118.68 115.89 3a79 s LEU 389 Ca 0.49 2.06 -0.06 0.00 -1.03 0.00 0.00 54.13 55.59 3a79 s LEU 389 Cb 0.42 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.09 3a79 s LEU 389 CO 0.01 -1.19 -0.12 0.50 0.23 0.00 0.00 176.35 175.77 3a79 h LYS 390 N 10.80 0.00 -4.84 1.70 1.63 -1.92 -2.48 116.57 121.46 3a79 h LYS 390 Ca -0.39 0.00 -0.70 0.00 -0.85 0.00 0.00 60.65 58.71 3a79 h LYS 390 Cb 1.19 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 32.63 3a79 h LYS 390 CO 0.97 0.00 0.51 1.21 -3.45 0.00 0.00 179.45 178.69 3a79 s ASN 391 N -5.18 6.47 0.46 4.20 3.04 -1.26 -2.24 114.94 120.42 3a79 s ASN 391 Ca -0.10 -1.82 0.40 0.00 0.04 0.00 0.00 52.86 51.37 3a79 s ASN 391 Cb 0.01 -2.35 1.46 0.00 -1.54 0.00 0.00 41.25 38.84 3a79 s ASN 391 CO 0.15 -1.07 1.37 0.33 -3.04 0.00 0.00 177.10 174.85 3a79 n PHE 392 N 6.31 0.18 0.08 0.43 7.35 -1.23 0.71 117.46 131.29 3a79 n PHE 392 Ca 0.10 0.18 0.02 0.00 -0.76 0.00 0.00 57.45 56.98 3a79 n PHE 392 Cb 0.47 -0.61 -0.03 0.00 0.35 0.00 0.00 39.48 39.65 3a79 n PHE 392 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 3a79 h PHE 393 N 0.00 0.00 -0.33 -5.13 -1.00 -1.91 -3.00 116.94 105.57 3a79 h PHE 393 Ca 0.81 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 61.44 3a79 h PHE 393 Cb 3.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 42.64 3a79 h PHE 393 CO -0.00 0.52 -0.41 -0.22 -1.61 0.00 0.00 178.31 176.59 3a79 h LYS 394 N 0.00 0.81 0.00 1.51 3.64 -0.08 -2.68 116.57 119.77 3a79 h LYS 394 Ca -0.09 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3a79 h LYS 394 Cb 1.47 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 3a79 h LYS 394 CO 0.05 1.07 0.00 0.28 -2.27 0.00 0.00 179.45 178.58 3a79 h VAL 395 N 0.66 0.00 0.13 2.00 2.07 -1.35 -1.74 116.25 118.02 3a79 h VAL 395 Ca 0.05 -0.10 -0.35 0.00 0.82 0.00 0.00 66.70 67.12 3a79 h VAL 395 Cb 0.97 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3a79 h VAL 395 CO 0.09 0.00 -1.83 0.00 0.02 0.00 0.00 177.57 175.85 3a79 h ALA 396 N 2.05 0.38 0.00 1.67 0.00 -1.36 -3.34 119.26 118.66 3a79 h ALA 396 Ca 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 54.91 53.61 3a79 h ALA 396 Cb 0.13 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3a79 h ALA 396 CO 0.00 1.24 -0.05 1.25 0.00 0.00 0.00 179.25 181.69 3a79 h LEU 397 N 0.07 0.00 -0.76 0.00 5.85 -1.02 -2.85 115.31 116.60 3a79 h LEU 397 Ca -0.36 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 3a79 h LEU 397 Cb 2.05 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.05 3a79 h LEU 397 CO 0.12 0.05 0.25 -0.03 -0.34 0.00 0.00 178.44 178.50 3a79 h MET 398 N 0.00 1.17 -0.03 1.25 4.05 -1.48 -2.96 114.93 116.93 3a79 h MET 398 Ca -0.00 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 3a79 h MET 398 Cb 0.47 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 3a79 h MET 398 CO 0.01 0.98 0.00 0.25 0.23 0.00 0.00 176.91 178.38 3a79 n THR 399 N -4.26 0.03 -0.32 -0.77 -2.24 -1.08 -4.42 114.28 101.23 3a79 n THR 399 Ca 0.06 -0.18 0.09 0.00 -2.27 0.00 0.00 64.05 61.76 3a79 n THR 399 Cb 0.22 0.14 0.20 0.00 -2.10 0.00 0.00 70.33 68.79 3a79 n THR 399 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3a79 h LYS 400 N 1.49 0.03 -1.31 -0.78 3.64 -1.59 -1.73 116.57 116.31 3a79 h LYS 400 Ca 0.00 -0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 3a79 h LYS 400 Cb 0.32 -0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 31.73 3a79 h LYS 400 CO 0.00 0.02 -0.54 0.09 -2.27 0.00 0.00 179.45 176.75 3a79 n ASN 401 N -5.48 5.13 -2.84 4.20 3.02 -1.26 -4.77 115.26 113.25 3a79 n ASN 401 Ca 0.18 -3.74 -0.32 0.00 -0.03 0.00 0.00 54.58 50.67 3a79 n ASN 401 Cb 0.59 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 3a79 n ASN 401 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3a79 n MET 402 N -0.57 3.50 0.00 3.52 2.81 -0.65 -4.34 117.12 121.39 3a79 n MET 402 Ca 0.43 -4.38 0.00 0.00 -1.81 0.00 0.00 57.70 51.94 3a79 n MET 402 Cb 0.72 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.94 3a79 n MET 402 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3a79 n SER 403 N -0.39 0.00 0.00 7.83 7.64 -1.26 -0.01 113.62 127.44 3a79 n SER 403 Ca 0.42 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.32 3a79 n SER 403 Cb 0.44 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 3a79 n SER 403 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3a79 n SER 404 N -0.90 0.86 -4.69 6.43 7.64 -1.23 -4.97 113.62 116.76 3a79 n SER 404 Ca 0.00 -0.95 -0.42 0.00 1.01 0.00 0.00 58.87 58.51 3a79 n SER 404 Cb 0.34 0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 3a79 n SER 404 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3a79 s LEU 405 N -0.17 4.40 0.00 -3.43 2.96 0.99 -4.17 118.68 119.27 3a79 s LEU 405 Ca 0.00 2.78 0.00 0.00 -0.22 0.00 0.00 54.13 56.69 3a79 s LEU 405 Cb 0.00 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.12 3a79 s LEU 405 CO 0.00 -1.01 0.00 -0.62 -1.32 0.00 0.00 176.35 173.40 3a79 n GLU 406 N 5.66 2.20 -4.40 1.98 1.02 0.61 -3.11 120.64 124.61 3a79 n GLU 406 Ca 0.18 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.00 3a79 n GLU 406 Cb 0.38 -0.99 -0.16 0.00 -0.02 0.00 0.00 31.44 30.64 3a79 n GLU 406 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3a79 s THR 407 N -1.98 1.88 -0.19 2.62 2.01 -0.92 -0.51 115.64 118.54 3a79 s THR 407 Ca 0.00 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 3a79 s THR 407 Cb 0.00 -1.69 0.05 0.00 0.01 0.00 0.00 72.50 70.87 3a79 s THR 407 CO 0.00 0.51 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.17 3a79 s LEU 408 N 1.06 1.92 -0.52 4.42 1.98 -0.25 -1.57 118.68 125.72 3a79 s LEU 408 Ca -0.02 -0.85 -0.09 0.00 -2.89 0.00 0.00 54.13 50.27 3a79 s LEU 408 Cb -0.14 -0.99 0.13 0.00 0.66 0.00 0.00 46.19 45.85 3a79 s LEU 408 CO -0.06 -0.21 0.40 -0.62 -1.89 0.00 0.00 176.35 173.98 3a79 s ASP 409 N 1.56 5.78 -0.48 3.68 2.15 -0.90 -1.43 116.67 127.03 3a79 s ASP 409 Ca -0.02 -2.08 0.03 0.00 0.43 0.00 0.00 52.55 50.91 3a79 s ASP 409 Cb -0.17 -2.02 0.48 0.00 -0.30 0.00 0.00 42.92 40.91 3a79 s ASP 409 CO -0.07 -0.66 1.69 1.33 -0.17 0.00 0.00 175.17 177.29 3a79 n VAL 410 N 4.69 3.11 -1.66 1.11 0.24 -0.78 -0.49 118.33 124.55 3a79 n VAL 410 Ca -0.05 -3.20 -0.29 0.00 -2.04 0.00 0.00 64.34 58.76 3a79 n VAL 410 Cb 0.41 -0.96 0.15 0.00 -1.47 0.00 0.00 33.84 31.97 3a79 n VAL 410 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3a79 s SER 411 N -2.42 3.24 -0.57 -1.34 1.04 -1.17 -4.04 113.70 108.44 3a79 s SER 411 Ca 0.57 0.69 -0.01 0.00 0.48 0.00 0.00 55.95 57.68 3a79 s SER 411 Cb 0.46 -1.05 0.00 0.00 0.10 0.00 0.00 66.02 65.54 3a79 s SER 411 CO 0.02 -2.69 0.02 0.18 0.98 0.00 0.00 173.24 171.75 3a79 n LEU 412 N -3.81 -0.61 0.00 2.42 4.77 -0.77 -2.15 117.00 116.84 3a79 n LEU 412 Ca 0.10 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3a79 n LEU 412 Cb 0.60 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 3a79 n LEU 412 CO 0.52 -0.06 0.00 0.59 -1.33 0.00 0.00 177.39 177.12 3a79 n ASN 413 N -1.68 0.00 -2.35 -1.43 4.13 -1.25 -3.31 115.26 109.37 3a79 n ASN 413 Ca -0.07 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.03 3a79 n ASN 413 Cb 0.55 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.82 3a79 n ASN 413 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3a79 n SER 414 N 0.00 3.65 -4.76 6.41 7.64 -1.02 -4.58 113.62 120.96 3a79 n SER 414 Ca 0.00 -3.13 -0.33 0.00 1.01 0.00 0.00 58.87 56.42 3a79 n SER 414 Cb 0.00 -0.40 0.05 0.00 -1.01 0.00 0.00 64.21 62.85 3a79 n SER 414 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3a79 s LEU 415 N -3.65 3.41 -0.28 -3.43 1.43 -0.97 -4.42 118.68 110.78 3a79 s LEU 415 Ca 0.42 2.07 -0.25 0.00 -1.03 0.00 0.00 54.13 55.34 3a79 s LEU 415 Cb 0.38 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 42.14 3a79 s LEU 415 CO -0.00 -1.70 0.89 0.54 0.23 0.00 0.00 176.35 176.30 3a79 s ASN 416 N -2.42 -0.59 -0.30 2.29 4.22 -0.95 -0.83 114.94 116.36 3a79 s ASN 416 Ca 0.69 1.14 0.05 0.00 -2.14 0.00 0.00 52.86 52.59 3a79 s ASN 416 Cb -0.22 1.15 0.54 0.00 1.28 0.00 0.00 41.25 44.00 3a79 s ASN 416 CO 0.41 -0.20 1.63 -1.54 -2.04 0.00 0.00 177.10 175.36 3a79 n SER 417 N 2.46 3.87 -0.55 3.54 3.41 -1.26 -3.48 113.62 121.61 3a79 n SER 417 Ca -0.13 -3.07 0.06 0.00 -0.26 0.00 0.00 58.87 55.47 3a79 n SER 417 Cb 0.55 -0.72 0.20 0.00 -0.26 0.00 0.00 64.21 63.98 3a79 n SER 417 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3a79 n HIS 418 N -0.40 0.36 -1.58 7.33 8.25 -1.26 -4.84 115.22 123.07 3a79 n HIS 418 Ca 0.39 -0.18 -0.50 0.00 -0.26 0.00 0.00 57.72 57.17 3a79 n HIS 418 Cb 1.27 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.34 3a79 n HIS 418 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a79 n ALA 419 N 0.35 -0.81 -0.07 -1.41 0.00 -1.26 -4.88 120.51 112.43 3a79 n ALA 419 Ca 0.12 0.48 -0.07 0.00 0.00 0.00 0.00 53.44 53.96 3a79 n ALA 419 Cb 0.27 -2.05 -0.01 0.00 0.00 0.00 0.00 19.45 17.66 3a79 n ALA 419 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3a79 h TYR 420 N 3.80 -0.57 -2.83 0.00 -0.00 -1.99 -3.35 116.97 112.04 3a79 h TYR 420 Ca -0.45 0.04 -0.68 0.00 0.00 0.00 0.00 58.73 57.64 3a79 h TYR 420 Cb 1.34 0.29 -0.18 0.00 0.00 0.00 0.00 36.73 38.18 3a79 h TYR 420 CO 0.56 -0.29 0.25 0.34 -0.00 0.00 0.00 178.16 179.02 3a79 s ASP 421 N -5.07 6.20 -0.67 0.10 -1.08 -1.26 -4.95 116.67 109.93 3a79 s ASP 421 Ca -0.15 -1.34 -0.02 0.00 -0.52 0.00 0.00 52.55 50.52 3a79 s ASP 421 Cb 0.13 -2.34 0.38 0.00 -1.46 0.00 0.00 42.92 39.63 3a79 s ASP 421 CO 0.69 -1.20 2.07 0.54 0.52 0.00 0.00 175.17 177.79 3a79 n ARG 422 N 6.69 2.60 -2.79 4.34 1.74 -1.26 -4.94 116.66 123.04 3a79 n ARG 422 Ca -0.07 -3.12 -0.41 0.00 -0.77 0.00 0.00 57.85 53.48 3a79 n ARG 422 Cb 0.43 -2.21 -0.04 0.00 -1.02 0.00 0.00 32.46 29.63 3a79 n ARG 422 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3a79 s THR 423 N -4.49 4.79 -0.04 0.55 2.01 -1.26 -5.01 115.64 112.19 3a79 s THR 423 Ca 0.58 1.93 -0.13 0.00 0.31 0.00 0.00 61.69 64.38 3a79 s THR 423 Cb 0.46 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 3a79 s THR 423 CO -0.12 0.23 0.33 0.00 -0.69 0.00 0.00 174.62 174.37 3a79 n ALA 425 N 1.97 2.65 -1.40 0.00 0.00 -1.26 -5.07 120.51 117.40 3a79 n ALA 425 Ca -0.15 -1.40 -0.34 0.00 0.00 0.00 0.00 53.44 51.55 3a79 n ALA 425 Cb 0.53 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 19.20 3a79 n ALA 425 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3a79 s TRP 426 N -0.62 2.20 -0.04 0.00 0.52 -1.26 -4.09 118.94 115.64 3a79 s TRP 426 Ca 0.14 1.59 -0.30 0.00 0.02 0.00 0.00 56.10 57.55 3a79 s TRP 426 Cb 0.42 -3.39 -0.05 0.00 -1.15 0.00 0.00 33.47 29.30 3a79 s TRP 426 CO -0.10 -2.36 1.46 0.00 0.02 0.00 0.00 176.95 175.96 3a79 s ALA 427 N -2.08 3.61 -1.75 0.98 0.00 -1.26 -4.84 121.76 116.43 3a79 s ALA 427 Ca 0.72 0.83 0.04 0.00 0.00 0.00 0.00 51.96 53.55 3a79 s ALA 427 Cb -0.27 -3.65 0.20 0.00 0.00 0.00 0.00 23.12 19.41 3a79 s ALA 427 CO 0.44 -1.11 0.80 0.39 0.00 0.00 0.00 175.76 176.28 3a79 n GLU 428 N 6.13 0.09 0.00 0.00 4.71 -1.26 -2.52 120.64 127.79 3a79 n GLU 428 Ca 0.15 0.11 0.06 0.00 -0.01 0.00 0.00 57.16 57.47 3a79 n GLU 428 Cb 0.43 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.32 3a79 n GLU 428 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3a79 n SER 429 N -1.13 0.92 -4.74 1.62 3.41 -1.26 -4.23 113.62 108.21 3a79 n SER 429 Ca 0.02 -0.96 -0.42 0.00 -0.26 0.00 0.00 58.87 57.26 3a79 n SER 429 Cb 0.02 0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 64.72 3a79 n SER 429 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3a79 s ILE 430 N -1.90 2.18 -0.04 -1.33 -1.09 -1.05 -4.42 121.20 113.55 3a79 s ILE 430 Ca 0.07 0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.65 3a79 s ILE 430 Cb 0.10 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3a79 s ILE 430 CO 0.42 0.02 -0.02 0.18 -1.23 0.00 0.00 174.94 174.31 3a79 n LEU 431 N 2.97 1.68 -4.13 2.97 4.77 0.33 -3.73 117.00 121.86 3a79 n LEU 431 Ca 0.11 -0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.76 3a79 n LEU 431 Cb 0.37 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.24 3a79 n LEU 431 CO 0.63 0.37 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.84 3a79 s VAL 432 N -2.10 1.93 -0.32 4.08 1.01 0.21 -0.62 120.40 124.59 3a79 s VAL 432 Ca -0.05 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 3a79 s VAL 432 Cb 0.01 -1.72 0.11 0.00 0.00 0.00 0.00 36.38 34.78 3a79 s VAL 432 CO 0.13 0.52 0.14 -0.22 0.00 0.00 0.00 175.10 175.68 3a79 s LEU 433 N 0.95 1.38 -0.45 3.92 2.96 -0.99 -1.09 118.68 125.36 3a79 s LEU 433 Ca -0.05 -1.65 -0.27 0.00 -0.22 0.00 0.00 54.13 51.94 3a79 s LEU 433 Cb -0.15 -0.60 0.03 0.00 0.50 0.00 0.00 46.19 45.97 3a79 s LEU 433 CO -0.04 -0.40 1.01 0.21 -1.32 0.00 0.00 176.35 175.82 3a79 s ASN 434 N 1.64 6.59 -0.03 3.68 3.84 -0.51 -2.79 114.94 127.35 3a79 s ASN 434 Ca 0.11 0.35 0.10 0.00 0.21 0.00 0.00 52.86 53.64 3a79 s ASN 434 Cb -0.18 -2.49 0.30 0.00 -0.55 0.00 0.00 41.25 38.32 3a79 s ASN 434 CO -0.24 -1.10 1.24 0.18 -2.79 0.00 0.00 177.10 174.39 3a79 n LEU 435 N 7.36 2.92 -4.76 3.21 4.77 -0.06 -1.87 117.00 128.58 3a79 n LEU 435 Ca 0.09 -2.20 -0.41 0.00 -0.03 0.00 0.00 56.01 53.47 3a79 n LEU 435 Cb 0.49 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3a79 n LEU 435 CO 0.66 0.69 0.88 -0.94 -1.33 0.00 0.00 177.39 177.35 3a79 s SER 436 N -1.21 7.04 -0.23 -1.43 1.04 0.46 -4.07 113.70 115.30 3a79 s SER 436 Ca 0.23 2.43 -0.00 0.00 0.48 0.00 0.00 55.95 59.09 3a79 s SER 436 Cb 0.14 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.63 3a79 s SER 436 CO 0.12 -0.34 0.19 -1.20 0.98 0.00 0.00 173.24 172.99 3a79 n SER 437 N 1.28 -2.10 0.00 7.02 7.64 0.59 -1.85 113.62 126.21 3a79 n SER 437 Ca 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.77 3a79 n SER 437 Cb 0.43 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 3a79 n SER 437 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3a79 n ASN 438 N -1.17 0.00 -0.66 6.43 4.13 -1.21 -3.27 115.26 119.52 3a79 n ASN 438 Ca -0.05 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.27 3a79 n ASN 438 Cb 0.53 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 38.91 3a79 n ASN 438 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3a79 n MET 439 N 0.00 1.07 -1.71 3.52 2.81 -0.01 -4.42 117.12 118.38 3a79 n MET 439 Ca 0.00 -2.70 -0.43 0.00 -1.81 0.00 0.00 57.70 52.76 3a79 n MET 439 Cb 0.00 -1.18 -0.02 0.00 -0.71 0.00 0.00 33.22 31.31 3a79 n MET 439 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3a79 n LEU 440 N -0.77 3.85 0.00 4.03 4.77 -1.09 -4.50 117.00 123.29 3a79 n LEU 440 Ca 0.14 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 3a79 n LEU 440 Cb 0.77 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 3a79 n LEU 440 CO -0.03 -0.05 0.00 0.35 -1.33 0.00 0.00 177.39 176.33 3a79 n THR 441 N 2.55 0.00 0.13 -5.08 -2.24 -1.26 -1.51 114.28 106.87 3a79 n THR 441 Ca 0.12 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.93 3a79 n THR 441 Cb 0.34 -1.34 0.02 0.00 -2.10 0.00 0.00 70.33 67.25 3a79 n THR 441 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3a79 h GLY 442 N 0.00 0.00 1.51 3.38 0.00 -1.77 -3.20 103.07 103.00 3a79 h GLY 442 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a79 h GLY 442 CO 0.00 0.00 0.12 -1.14 0.00 0.00 0.00 176.54 175.52 3a79 n SER 443 N -3.17 0.01 0.28 0.19 3.41 -1.25 -1.10 113.62 111.99 3a79 n SER 443 Ca 0.01 0.39 0.17 0.00 -0.26 0.00 0.00 58.87 59.17 3a79 n SER 443 Cb 0.73 -0.38 0.88 0.00 -0.26 0.00 0.00 64.21 65.18 3a79 n SER 443 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3a79 h VAL 444 N 0.00 0.00 -0.00 -3.33 3.04 -1.88 0.52 116.25 114.59 3a79 h VAL 444 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3a79 h VAL 444 Cb 0.25 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 3a79 h VAL 444 CO 0.00 0.00 -0.39 0.49 -1.01 0.00 0.00 177.57 176.66 3a79 n PHE 445 N -2.72 0.00 0.27 3.17 3.01 -0.26 -3.56 117.46 117.36 3a79 n PHE 445 Ca -0.02 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.60 3a79 n PHE 445 Cb 0.16 -0.18 0.58 0.00 -0.01 0.00 0.00 39.48 40.04 3a79 n PHE 445 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3a79 h ARG 446 N 0.65 0.00 -2.31 -1.08 3.08 -1.10 -3.42 114.38 110.20 3a79 h ARG 446 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3a79 h ARG 446 Cb 0.51 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.20 3a79 h ARG 446 CO 0.00 0.01 -0.78 0.00 -1.07 0.00 0.00 179.97 178.13 3a79 s LEU 448 N 1.22 2.03 -0.02 0.00 1.43 -1.26 -4.95 118.68 117.13 3a79 s LEU 448 Ca 0.18 -0.13 -0.39 0.00 -1.03 0.00 0.00 54.13 52.76 3a79 s LEU 448 Cb -0.20 0.07 -0.18 0.00 0.03 0.00 0.00 46.19 45.92 3a79 s LEU 448 CO -0.01 -0.10 1.35 -2.65 0.23 0.00 0.00 176.35 175.18 3a79 n PRO 449 N 2.62 0.82 -0.35 1.29 -0.02 -1.26 -4.86 135.00 133.23 3a79 n PRO 449 Ca -0.16 0.30 -0.12 0.00 -2.02 0.00 0.00 63.50 61.50 3a79 n PRO 449 Cb 0.58 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 32.06 3a79 n PRO 449 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3a79 h PRO 450 N 4.59 -0.09 -1.02 0.52 0.11 -1.83 -2.77 132.00 131.52 3a79 h PRO 450 Ca -0.48 0.01 -0.64 0.00 0.11 0.00 0.00 66.00 65.00 3a79 h PRO 450 Cb 1.36 0.02 -0.29 0.00 0.11 0.00 0.00 31.00 32.20 3a79 h PRO 450 CO 0.78 -0.06 0.82 1.63 -0.21 0.00 0.00 178.00 180.97 3a79 n LYS 451 N -5.28 2.58 -1.80 1.05 4.76 -1.26 -4.69 118.16 113.51 3a79 n LYS 451 Ca 0.01 -3.16 -0.37 0.00 -2.87 0.00 0.00 58.31 51.92 3a79 n LYS 451 Cb 0.28 -2.24 0.06 0.00 -1.84 0.00 0.00 35.03 31.29 3a79 n LYS 451 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3a79 s VAL 452 N -4.47 2.15 0.00 -0.18 1.01 -1.05 -4.66 120.40 113.21 3a79 s VAL 452 Ca 0.62 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3a79 s VAL 452 Cb 0.49 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.83 3a79 s VAL 452 CO 0.01 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.38 3a79 n LYS 453 N -1.80 2.01 -4.04 2.72 4.76 0.21 -2.93 118.16 119.08 3a79 n LYS 453 Ca 0.15 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.42 3a79 n LYS 453 Cb 0.48 -0.89 -0.16 0.00 -1.84 0.00 0.00 35.03 32.62 3a79 n LYS 453 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3a79 s VAL 454 N -1.66 0.31 -0.34 -0.18 1.01 -0.17 -1.11 120.40 118.26 3a79 s VAL 454 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 3a79 s VAL 454 Cb 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 36.38 36.18 3a79 s VAL 454 CO 0.00 0.14 0.19 -0.22 0.00 0.00 0.00 175.10 175.21 3a79 s LEU 455 N 0.59 0.89 -0.70 3.92 2.96 -1.18 -2.35 118.68 122.81 3a79 s LEU 455 Ca -0.06 -1.99 -0.22 0.00 -0.22 0.00 0.00 54.13 51.64 3a79 s LEU 455 Cb -0.10 -0.39 0.08 0.00 0.50 0.00 0.00 46.19 46.29 3a79 s LEU 455 CO -0.01 -0.34 0.97 -0.62 -1.32 0.00 0.00 176.35 175.04 3a79 s ASP 456 N 1.29 6.25 -0.17 3.68 -1.08 -1.12 -2.54 116.67 122.98 3a79 s ASP 456 Ca 0.16 -1.20 0.16 0.00 -0.52 0.00 0.00 52.55 51.15 3a79 s ASP 456 Cb -0.22 -2.41 0.55 0.00 -1.46 0.00 0.00 42.92 39.39 3a79 s ASP 456 CO -0.07 -1.36 1.45 0.18 0.52 0.00 0.00 175.17 175.90 3a79 n LEU 457 N 7.42 4.06 -4.76 -1.34 4.77 -0.16 -0.41 117.00 126.58 3a79 n LEU 457 Ca 0.00 -2.89 -0.32 0.00 -0.03 0.00 0.00 56.01 52.77 3a79 n LEU 457 Cb 0.46 -0.53 0.08 0.00 -2.33 0.00 0.00 43.42 41.09 3a79 n LEU 457 CO 0.62 0.68 0.73 -1.38 -1.33 0.00 0.00 177.39 176.70 3a79 s HIS 458 N -2.61 2.50 -1.14 -1.77 -3.43 -0.74 -3.64 115.29 104.45 3a79 s HIS 458 Ca 0.42 1.57 -0.07 0.00 -0.80 0.00 0.00 55.06 56.19 3a79 s HIS 458 Cb 0.33 -3.16 0.01 0.00 -1.43 0.00 0.00 32.58 28.33 3a79 s HIS 458 CO 0.11 -1.87 0.87 -1.71 -2.00 0.00 0.00 174.74 170.14 3a79 n ASN 459 N -2.98 -5.53 0.00 7.38 5.15 -1.15 -0.30 115.26 117.84 3a79 n ASN 459 Ca 0.10 -0.40 0.00 0.00 -0.60 0.00 0.00 54.58 53.68 3a79 n ASN 459 Cb 0.52 -4.18 0.00 0.00 -0.53 0.00 0.00 39.78 35.59 3a79 n ASN 459 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3a79 n ASN 460 N -2.08 0.66 -2.61 1.20 4.13 -1.21 -3.31 115.26 112.03 3a79 n ASN 460 Ca -0.01 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.12 3a79 n ASN 460 Cb 0.56 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.82 3a79 n ASN 460 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3a79 n ARG 461 N 0.00 1.77 -3.44 3.52 1.74 -0.57 -4.50 116.66 115.19 3a79 n ARG 461 Ca 0.00 -3.59 -0.40 0.00 -0.77 0.00 0.00 57.85 53.09 3a79 n ARG 461 Cb 0.00 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 29.82 3a79 n ARG 461 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3a79 s ILE 462 N -3.77 5.20 0.01 0.55 1.01 -1.24 -4.36 121.20 118.60 3a79 s ILE 462 Ca 0.33 0.07 -0.00 0.00 0.00 0.00 0.00 60.65 61.04 3a79 s ILE 462 Cb 0.44 -3.76 -0.00 0.00 0.01 0.00 0.00 42.46 39.14 3a79 s ILE 462 CO -0.02 -0.02 -0.01 0.23 0.00 0.00 0.00 174.94 175.12 3a79 n MET 463 N 5.30 0.02 -1.37 2.79 2.81 -1.26 -2.14 117.12 123.27 3a79 n MET 463 Ca -0.10 0.01 -0.11 0.00 -1.81 0.00 0.00 57.70 55.69 3a79 n MET 463 Cb 0.50 -0.53 -0.10 0.00 -0.71 0.00 0.00 33.22 32.38 3a79 n MET 463 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3a79 n SER 464 N -3.12 -0.35 -4.74 7.83 3.41 -1.26 -4.87 113.62 110.51 3a79 n SER 464 Ca -0.02 -1.49 -0.35 0.00 -0.26 0.00 0.00 58.87 56.75 3a79 n SER 464 Cb 0.44 -1.06 -0.08 0.00 -0.26 0.00 0.00 64.21 63.25 3a79 n SER 464 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3a79 s ILE 465 N 7.09 5.33 0.71 -1.33 1.01 -1.26 -2.91 121.20 129.84 3a79 s ILE 465 Ca 0.69 0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.51 3a79 s ILE 465 Cb -0.24 -3.41 0.13 0.00 0.01 0.00 0.00 42.46 38.95 3a79 s ILE 465 CO 0.20 0.48 0.98 -2.84 0.00 0.00 0.00 174.94 173.75 3a79 s PRO 466 N 0.11 1.70 -0.45 2.79 0.02 -1.26 -4.93 135.00 132.97 3a79 s PRO 466 Ca 0.09 -1.29 -0.00 0.00 0.02 0.00 0.00 61.00 59.81 3a79 s PRO 466 Cb -0.11 -2.38 0.38 0.00 0.02 0.00 0.00 34.50 32.40 3a79 s PRO 466 CO -0.01 -1.42 1.93 0.36 -0.33 0.00 0.00 177.00 177.53 3a79 n LYS 467 N -2.77 2.16 -0.05 5.54 0.00 -1.26 -4.20 118.16 117.58 3a79 n LYS 467 Ca 0.16 -2.38 0.02 0.00 -0.00 0.00 0.00 58.31 56.11 3a79 n LYS 467 Cb 0.61 -1.93 0.05 0.00 -0.00 0.00 0.00 35.03 33.76 3a79 n LYS 467 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3a79 n ASP 468 N -0.42 2.28 0.00 -5.58 8.00 -1.26 -4.65 116.55 114.93 3a79 n ASP 468 Ca 0.46 -2.02 0.15 0.00 0.71 0.00 0.00 54.79 54.09 3a79 n ASP 468 Cb 0.84 -0.08 0.78 0.00 -0.02 0.00 0.00 41.12 42.65 3a79 n ASP 468 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3a79 n VAL 469 N -0.22 0.01 0.21 2.53 0.31 -1.26 -3.11 118.33 116.80 3a79 n VAL 469 Ca 0.04 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.39 3a79 n VAL 469 Cb 0.31 -0.51 0.02 0.00 -0.91 0.00 0.00 33.84 32.75 3a79 n VAL 469 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3a79 n THR 470 N -1.24 0.00 0.21 2.52 -2.24 -1.26 -4.41 114.28 107.85 3a79 n THR 470 Ca 0.16 -0.49 0.05 0.00 -2.27 0.00 0.00 64.05 61.50 3a79 n THR 470 Cb 0.22 1.10 0.22 0.00 -2.10 0.00 0.00 70.33 69.76 3a79 n THR 470 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3a79 n HIS 471 N 0.16 0.95 -3.13 4.78 -0.00 -1.18 -4.42 115.22 112.37 3a79 n HIS 471 Ca 0.03 -0.36 -0.19 0.00 -0.00 0.00 0.00 57.72 57.19 3a79 n HIS 471 Cb 0.12 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.99 29.86 3a79 n HIS 471 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3a79 n LEU 472 N 0.53 -1.13 -4.15 2.41 4.77 -1.26 -5.06 117.00 113.10 3a79 n LEU 472 Ca 0.15 -4.08 -0.38 0.00 -0.03 0.00 0.00 56.01 51.68 3a79 n LEU 472 Cb 0.62 0.65 -0.05 0.00 -2.33 0.00 0.00 43.42 42.31 3a79 n LEU 472 CO 0.15 1.96 0.46 0.00 -1.33 0.00 0.00 177.39 178.63 3a79 n GLN 473 N 2.24 2.87 0.00 3.23 6.02 -1.26 -4.47 117.38 126.01 3a79 n GLN 473 Ca 0.22 -4.48 0.00 0.00 -0.01 0.00 0.00 57.00 52.73 3a79 n GLN 473 Cb 0.53 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 29.35 3a79 n GLN 473 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a79 n ALA 474 N 2.35 0.00 -0.80 -1.58 0.00 -1.26 -4.89 120.51 114.34 3a79 n ALA 474 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 3a79 n ALA 474 Cb 0.37 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.98 3a79 n ALA 474 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a79 n LEU 475 N 0.00 3.50 0.00 0.00 4.32 -1.15 -4.47 117.00 119.21 3a79 n LEU 475 Ca 0.00 0.46 0.00 0.00 -0.02 0.00 0.00 56.01 56.45 3a79 n LEU 475 Cb 0.14 -1.48 0.00 0.00 -1.62 0.00 0.00 43.42 40.46 3a79 n LEU 475 CO 0.00 -2.09 -0.16 0.00 -1.22 0.00 0.00 177.39 173.92 3a79 n GLN 476 N -3.89 0.57 -4.41 3.23 6.02 -0.27 -1.98 117.38 116.64 3a79 n GLN 476 Ca 0.12 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.82 3a79 n GLN 476 Cb 0.52 -0.66 -0.12 0.00 1.02 0.00 0.00 30.24 30.99 3a79 n GLN 476 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3a79 s GLU 477 N -1.32 1.78 -0.19 -1.09 2.02 -1.00 0.07 118.70 118.97 3a79 s GLU 477 Ca 0.00 -1.16 -0.16 0.00 0.02 0.00 0.00 54.97 53.66 3a79 s GLU 477 Cb 0.00 -2.09 0.05 0.00 0.10 0.00 0.00 34.13 32.19 3a79 s GLU 477 CO 0.00 0.49 0.51 -1.17 0.02 0.00 0.00 175.26 175.11 3a79 s LEU 478 N -1.96 -0.04 -0.30 1.80 2.96 -0.59 -3.09 118.68 117.45 3a79 s LEU 478 Ca 0.16 1.04 -0.03 0.00 -0.22 0.00 0.00 54.13 55.09 3a79 s LEU 478 Cb -0.10 1.74 0.11 0.00 0.50 0.00 0.00 46.19 48.43 3a79 s LEU 478 CO 0.08 -0.18 0.15 0.21 -1.32 0.00 0.00 176.35 175.28 3a79 s ASN 479 N 0.54 3.43 -0.21 3.68 3.84 -1.05 -0.30 114.94 124.87 3a79 s ASN 479 Ca -0.02 -1.47 0.15 0.00 0.21 0.00 0.00 52.86 51.73 3a79 s ASN 479 Cb -0.04 -0.36 0.63 0.00 -0.55 0.00 0.00 41.25 40.92 3a79 s ASN 479 CO -0.03 -0.41 1.54 1.33 -2.79 0.00 0.00 177.10 176.74 3a79 n VAL 480 N 5.00 2.48 -0.22 -5.21 0.24 -0.86 -0.99 118.33 118.77 3a79 n VAL 480 Ca -0.02 -1.75 -0.17 0.00 -2.04 0.00 0.00 64.34 60.36 3a79 n VAL 480 Cb 0.41 -0.27 0.16 0.00 -1.47 0.00 0.00 33.84 32.67 3a79 n VAL 480 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a79 n ALA 481 N -0.17 -2.94 -3.44 2.33 0.00 -0.56 -3.98 120.51 111.75 3a79 n ALA 481 Ca 0.24 -0.85 -0.05 0.00 0.00 0.00 0.00 53.44 52.78 3a79 n ALA 481 Cb 1.01 -0.08 -0.00 0.00 0.00 0.00 0.00 19.45 20.38 3a79 n ALA 481 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3a79 n SER 482 N -3.59 -0.31 0.00 0.00 7.64 -1.14 -3.49 113.62 112.73 3a79 n SER 482 Ca 0.08 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.79 3a79 n SER 482 Cb 0.33 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 3a79 n SER 482 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3a79 n ASN 483 N 0.35 0.00 -0.56 6.43 4.13 -1.21 -2.92 115.26 121.48 3a79 n ASN 483 Ca -0.02 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.29 3a79 n ASN 483 Cb 0.07 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.41 3a79 n ASN 483 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a79 n GLN 484 N 0.00 0.75 -2.47 3.52 6.02 -1.13 -4.62 117.38 119.45 3a79 n GLN 484 Ca 0.00 -2.18 -0.42 0.00 -0.01 0.00 0.00 57.00 54.39 3a79 n GLN 484 Cb 0.00 -0.97 -0.03 0.00 1.02 0.00 0.00 30.24 30.26 3a79 n GLN 484 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3a79 s LEU 485 N -1.61 4.37 -0.27 1.08 1.43 -0.91 -4.37 118.68 118.40 3a79 s LEU 485 Ca 0.25 1.95 -0.14 0.00 -1.03 0.00 0.00 54.13 55.15 3a79 s LEU 485 Cb 0.24 -3.58 -0.11 0.00 0.03 0.00 0.00 46.19 42.77 3a79 s LEU 485 CO -0.04 -0.45 -0.36 0.29 0.23 0.00 0.00 176.35 176.03 3a79 n LYS 486 N 3.99 0.58 -4.29 1.70 5.02 -1.25 -2.92 118.16 120.99 3a79 n LYS 486 Ca 0.09 0.25 -0.17 0.00 -2.02 0.00 0.00 58.31 56.46 3a79 n LYS 486 Cb 0.47 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.91 3a79 n LYS 486 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3a79 s SER 487 N -7.31 1.20 -0.11 4.39 0.01 -1.26 -0.91 113.70 109.71 3a79 s SER 487 Ca -0.38 -1.54 -0.00 0.00 1.31 0.00 0.00 55.95 55.34 3a79 s SER 487 Cb 0.14 0.40 0.02 0.00 0.21 0.00 0.00 66.02 66.79 3a79 s SER 487 CO 0.48 -0.89 -0.09 0.68 0.41 0.00 0.00 173.24 173.83 3a79 s VAL 488 N -3.73 1.08 0.15 3.43 -7.23 -1.26 -4.97 120.40 107.88 3a79 s VAL 488 Ca 0.37 -0.33 -0.32 0.00 -1.81 0.00 0.00 61.98 59.90 3a79 s VAL 488 Cb 0.05 -1.08 -0.17 0.00 0.56 0.00 0.00 36.38 35.74 3a79 s VAL 488 CO 0.18 0.37 0.78 -2.65 -0.31 0.00 0.00 175.10 173.47 3a79 n PRO 489 N 4.84 0.25 -2.00 4.82 -0.02 -1.26 -4.76 135.00 136.87 3a79 n PRO 489 Ca -0.14 0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 3a79 n PRO 489 Cb 0.50 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.65 3a79 n PRO 489 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3a79 s ASP 490 N -0.59 6.62 0.00 2.55 1.01 -1.26 -3.75 116.67 121.25 3a79 s ASP 490 Ca 0.72 2.19 0.00 0.00 0.71 0.00 0.00 52.55 56.16 3a79 s ASP 490 Cb -0.99 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 40.41 3a79 s ASP 490 CO 0.56 -0.98 0.00 0.61 0.21 0.00 0.00 175.17 175.58 3a79 n GLY 491 N 4.22 1.98 0.00 0.21 0.00 -1.26 -5.08 105.19 105.26 3a79 n GLY 491 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3a79 n GLY 491 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a79 n VAL 492 N -0.64 0.00 0.00 1.61 0.24 -1.25 -4.43 118.33 113.86 3a79 n VAL 492 Ca 0.00 0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 3a79 n VAL 492 Cb 0.00 -1.09 0.00 0.00 -1.47 0.00 0.00 33.84 31.28 3a79 n VAL 492 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3a79 n PHE 493 N -1.76 0.00 -0.02 6.34 3.01 -1.26 -0.88 117.46 122.90 3a79 n PHE 493 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 3a79 n PHE 493 Cb 0.00 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 39.34 3a79 n PHE 493 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3a79 h ASP 494 N 0.00 -0.04 1.17 4.37 3.32 -2.00 -3.32 116.42 119.92 3a79 h ASP 494 Ca 0.00 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.44 3a79 h ASP 494 Cb 0.08 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3a79 h ASP 494 CO 0.00 0.62 0.00 -1.14 -1.72 0.00 0.00 179.24 177.00 3a79 n ARG 495 N -4.79 0.10 -0.59 3.56 3.00 -0.06 -3.93 116.66 113.94 3a79 n ARG 495 Ca -0.09 0.08 -0.06 0.00 -0.00 0.00 0.00 57.85 57.78 3a79 n ARG 495 Cb 0.32 -1.61 -0.09 0.00 0.00 0.00 0.00 32.46 31.08 3a79 n ARG 495 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3a79 n LEU 496 N -1.78 3.54 0.19 6.15 4.77 -1.23 -4.65 117.00 123.98 3a79 n LEU 496 Ca 0.06 -2.14 0.16 0.00 -0.03 0.00 0.00 56.01 54.06 3a79 n LEU 496 Cb 0.37 -0.91 0.62 0.00 -2.33 0.00 0.00 43.42 41.17 3a79 n LEU 496 CO 0.28 0.91 1.14 0.71 -1.33 0.00 0.00 177.39 179.10 3a79 h THR 497 N 2.10 0.11 -0.00 -5.08 1.35 -1.84 0.21 112.91 109.77 3a79 h THR 497 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 3a79 h THR 497 Cb 0.94 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3a79 h THR 497 CO 0.25 0.00 -0.81 -0.24 -0.25 0.00 0.00 175.52 174.47 3a79 n SER 498 N -3.13 1.13 -4.59 5.36 2.88 -1.26 -4.97 113.62 109.04 3a79 n SER 498 Ca 0.04 -0.99 -0.42 0.00 -1.33 0.00 0.00 58.87 56.18 3a79 n SER 498 Cb 0.70 0.77 0.01 0.00 -0.75 0.00 0.00 64.21 64.94 3a79 n SER 498 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3a79 n LEU 499 N -1.19 2.23 0.00 2.46 7.94 0.75 -4.14 117.00 125.04 3a79 n LEU 499 Ca 0.05 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 3a79 n LEU 499 Cb 0.36 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 42.99 3a79 n LEU 499 CO 0.39 -1.62 0.00 0.00 -1.11 0.00 0.00 177.39 175.04 3a79 n GLN 500 N 0.26 2.89 -4.41 1.96 6.02 0.35 -4.94 117.38 119.51 3a79 n GLN 500 Ca 0.10 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.89 3a79 n GLN 500 Cb 0.38 -0.24 -0.15 0.00 1.02 0.00 0.00 30.24 31.25 3a79 n GLN 500 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3a79 s TYR 501 N 0.00 0.90 -0.29 1.08 1.51 0.11 -4.51 117.35 116.15 3a79 s TYR 501 Ca 0.00 -0.18 -0.12 0.00 -1.01 0.00 0.00 57.07 55.76 3a79 s TYR 501 Cb 0.00 -0.58 0.12 0.00 -0.11 0.00 0.00 41.96 41.39 3a79 s TYR 501 CO 0.00 -0.01 0.69 -1.50 -1.11 0.00 0.00 175.55 173.61 3a79 s ILE 502 N -0.28 -0.65 -0.47 2.71 2.07 -1.00 -1.55 121.20 122.03 3a79 s ILE 502 Ca 0.04 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.13 3a79 s ILE 502 Cb -0.04 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.63 3a79 s ILE 502 CO -0.00 0.00 0.38 0.26 -1.91 0.00 0.00 174.94 173.67 3a79 s TRP 503 N 2.46 3.26 -0.85 3.50 0.51 0.59 -1.89 118.94 126.52 3a79 s TRP 503 Ca -0.07 -1.03 0.21 0.00 -2.12 0.00 0.00 56.10 53.08 3a79 s TRP 503 Cb -0.09 -3.17 -0.24 0.00 -0.81 0.00 0.00 33.47 29.16 3a79 s TRP 503 CO -0.19 -0.82 0.82 1.28 -0.51 0.00 0.00 176.95 177.54 3a79 n LEU 504 N 5.16 0.85 -4.19 2.99 4.77 -1.26 -1.50 117.00 123.82 3a79 n LEU 504 Ca -0.12 -0.44 -0.27 0.00 -0.03 0.00 0.00 56.01 55.15 3a79 n LEU 504 Cb 0.43 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.78 3a79 n LEU 504 CO 0.46 0.21 0.28 0.00 -1.33 0.00 0.00 177.39 177.02 3a79 n HIS 505 N -1.58 -3.22 -4.48 -1.77 1.44 -1.26 -4.05 115.22 100.30 3a79 n HIS 505 Ca 0.03 -0.56 -0.41 0.00 -2.01 0.00 0.00 57.72 54.77 3a79 n HIS 505 Cb 0.35 -1.39 -0.07 0.00 0.12 0.00 0.00 29.99 29.00 3a79 n HIS 505 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3a79 n ASP 506 N -4.64 -1.77 -4.26 4.39 8.00 -1.26 -2.90 116.55 114.11 3a79 n ASP 506 Ca 0.11 -1.22 -0.29 0.00 0.71 0.00 0.00 54.79 54.10 3a79 n ASP 506 Cb 0.54 -1.78 -0.16 0.00 -0.02 0.00 0.00 41.12 39.70 3a79 n ASP 506 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3a79 s ASN 507 N -3.37 2.69 -1.47 -2.24 -0.87 -1.26 -3.28 114.94 105.14 3a79 s ASN 507 Ca 0.74 -0.42 -0.13 0.00 -1.57 0.00 0.00 52.86 51.48 3a79 s ASN 507 Cb -0.43 -0.30 0.03 0.00 -0.02 0.00 0.00 41.25 40.54 3a79 s ASN 507 CO 1.01 0.28 2.29 -0.81 -2.57 0.00 0.00 177.10 177.30 3a79 n PRO 508 N 2.48 2.99 -2.34 -0.60 -0.04 -1.15 -4.52 135.00 131.82 3a79 n PRO 508 Ca -0.16 -2.61 -0.42 0.00 -0.04 0.00 0.00 63.50 60.27 3a79 n PRO 508 Cb 0.52 -3.21 -0.03 0.00 -0.04 0.00 0.00 33.50 30.74 3a79 n PRO 508 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3a79 s TRP 509 N 2.92 3.38 -0.22 0.54 0.52 -1.21 -3.91 118.94 120.95 3a79 s TRP 509 Ca 0.49 1.21 -0.29 0.00 0.02 0.00 0.00 56.10 57.53 3a79 s TRP 509 Cb 0.14 -3.50 -0.01 0.00 -1.15 0.00 0.00 33.47 28.95 3a79 s TRP 509 CO -0.08 -1.60 1.41 0.34 0.02 0.00 0.00 176.95 177.04 3a79 s ASP 510 N 1.01 6.66 -0.34 2.95 -1.08 -0.09 -1.87 116.67 123.91 3a79 s ASP 510 Ca 0.60 1.53 0.08 0.00 -0.52 0.00 0.00 52.55 54.24 3a79 s ASP 510 Cb -0.32 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.22 3a79 s ASP 510 CO 0.30 -1.04 1.69 0.00 0.52 0.00 0.00 175.17 176.64 3a79 s THR 512 N -3.17 4.50 0.37 0.00 2.01 -1.26 -4.91 115.64 113.18 3a79 s THR 512 Ca 0.51 1.79 0.12 0.00 0.31 0.00 0.00 61.69 64.42 3a79 s THR 512 Cb 0.43 -4.15 0.34 0.00 0.01 0.00 0.00 72.50 69.14 3a79 s THR 512 CO 0.07 0.12 1.85 0.00 -0.69 0.00 0.00 174.62 175.97 3a79 h PRO 514 N 0.58 0.00 0.00 0.00 0.11 -1.99 -3.23 132.00 127.47 3a79 h PRO 514 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3a79 h PRO 514 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3a79 h PRO 514 CO -0.22 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.98 3a79 n GLY 515 N -1.28 -0.25 1.15 -0.55 0.00 -1.12 -4.80 105.19 98.33 3a79 n GLY 515 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3a79 n GLY 515 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3a79 n ILE 516 N 0.00 0.67 0.13 -0.61 0.13 -1.19 -4.44 119.36 114.05 3a79 n ILE 516 Ca 0.00 -0.79 -0.13 0.00 -1.10 0.00 0.00 62.75 60.73 3a79 n ILE 516 Cb 0.35 0.68 -0.08 0.00 -0.84 0.00 0.00 39.64 39.74 3a79 n ILE 516 CO 0.00 0.00 0.00 -0.09 2.80 0.00 0.00 176.55 179.26 3a79 h ARG 517 N 4.03 -0.32 -0.72 9.51 2.43 -1.87 -3.10 114.38 124.34 3a79 h ARG 517 Ca 0.00 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.35 3a79 h ARG 517 Cb 0.90 0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 30.41 3a79 h ARG 517 CO 0.00 -0.01 0.11 -0.92 -1.51 0.00 0.00 179.97 177.63 3a79 h TYR 518 N -0.65 0.14 -0.08 2.20 3.20 -1.94 0.54 116.97 120.38 3a79 h TYR 518 Ca -0.03 0.05 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 3a79 h TYR 518 Cb 0.46 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3a79 h TYR 518 CO 0.02 -0.14 -0.57 1.25 -1.64 0.00 0.00 178.16 177.08 3a79 h LEU 519 N 0.20 0.29 -0.07 2.82 6.46 -1.86 -1.81 115.31 121.34 3a79 h LEU 519 Ca 0.40 -0.16 -0.06 0.00 -0.12 0.00 0.00 57.88 57.94 3a79 h LEU 519 Cb 0.69 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 3a79 h LEU 519 CO -0.55 0.80 -0.20 -1.28 -0.62 0.00 0.00 178.44 176.59 3a79 h SER 520 N 0.20 0.29 -0.47 1.25 0.87 -0.94 0.27 113.55 115.01 3a79 h SER 520 Ca -0.00 -0.61 0.04 0.00 -1.23 0.00 0.00 61.79 60.00 3a79 h SER 520 Cb 1.06 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 3a79 h SER 520 CO 0.09 0.84 0.31 -0.33 -0.53 0.00 0.00 176.83 177.22 3a79 h GLU 521 N -0.25 0.45 0.35 2.24 4.39 -0.99 -2.93 114.58 117.83 3a79 h GLU 521 Ca -0.01 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3a79 h GLU 521 Cb 0.82 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3a79 h GLU 521 CO 0.04 0.30 -0.17 2.35 -1.16 0.00 0.00 179.01 180.37 3a79 h TRP 522 N 0.46 -0.44 -1.21 4.33 7.01 -1.06 -1.89 115.95 123.15 3a79 h TRP 522 Ca 0.20 -0.01 0.35 0.00 2.11 0.00 0.00 58.89 61.53 3a79 h TRP 522 Cb 0.20 0.15 -0.08 0.00 -2.10 0.00 0.00 29.16 27.33 3a79 h TRP 522 CO -0.00 -0.27 0.82 0.82 -2.79 0.00 0.00 178.44 177.02 3a79 h ILE 523 N -0.80 0.37 0.03 2.65 1.08 -0.93 0.68 117.51 120.59 3a79 h ILE 523 Ca -0.05 -0.06 -0.11 0.00 -0.39 0.00 0.00 64.86 64.26 3a79 h ILE 523 Cb 0.36 0.19 0.01 0.00 -3.07 0.00 0.00 36.82 34.31 3a79 h ILE 523 CO 0.08 0.03 -0.44 0.78 -0.69 0.00 0.00 178.15 177.91 3a79 h ASN 524 N 0.17 0.34 0.58 1.72 2.35 -1.55 -2.16 115.58 117.02 3a79 h ASN 524 Ca 0.65 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 3a79 h ASN 524 Cb 2.13 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 40.39 3a79 h ASN 524 CO -0.20 1.13 0.00 0.50 -1.65 0.00 0.00 177.43 177.21 3a79 h LYS 525 N -0.41 0.00 -2.08 0.81 3.64 -0.18 -3.19 116.57 115.16 3a79 h LYS 525 Ca -0.06 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.76 3a79 h LYS 525 Cb 1.22 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.64 3a79 h LYS 525 CO 0.09 0.00 -0.93 0.72 -2.27 0.00 0.00 179.45 177.06 3a79 n HIS 526 N -2.96 1.34 -0.04 1.91 8.25 0.04 -4.94 115.22 118.82 3a79 n HIS 526 Ca -0.01 -3.82 -0.11 0.00 -0.26 0.00 0.00 57.72 53.53 3a79 n HIS 526 Cb 0.20 -0.44 0.04 0.00 1.12 0.00 0.00 29.99 30.91 3a79 n HIS 526 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3a79 h SER 527 N 3.78 0.76 1.55 0.41 0.02 -1.38 -3.17 113.55 115.52 3a79 h SER 527 Ca 0.12 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 3a79 h SER 527 Cb 0.79 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 3a79 h SER 527 CO 0.61 1.11 -0.04 1.23 -1.14 0.00 0.00 176.83 178.60 3a79 h GLY 528 N 0.94 0.00 1.90 -3.77 0.00 -1.91 -3.28 103.07 96.94 3a79 h GLY 528 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.23 3a79 h GLY 528 CO 0.10 0.00 -0.58 -2.08 0.00 0.00 0.00 176.54 173.97 3a79 h VAL 529 N 0.00 1.40 -3.16 4.60 2.07 -1.78 -3.44 116.25 115.94 3a79 h VAL 529 Ca -0.00 -1.97 -0.59 0.00 0.82 0.00 0.00 66.70 64.96 3a79 h VAL 529 Cb 0.83 2.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.56 3a79 h VAL 529 CO 0.01 0.57 0.67 -0.69 0.02 0.00 0.00 177.57 178.15 3a79 s VAL 530 N -3.74 4.74 0.33 2.57 1.01 -1.24 -2.39 120.40 121.69 3a79 s VAL 530 Ca -0.03 1.85 0.07 0.00 0.00 0.00 0.00 61.98 63.87 3a79 s VAL 530 Cb 0.13 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 3a79 s VAL 530 CO 0.77 -0.14 0.41 -0.13 0.00 0.00 0.00 175.10 176.02 3a79 s ARG 531 N 3.04 3.01 0.58 2.72 1.81 -0.79 -0.56 118.95 128.76 3a79 s ARG 531 Ca 0.41 -1.09 0.07 0.00 -1.72 0.00 0.00 55.73 53.40 3a79 s ARG 531 Cb -0.15 -2.72 0.07 0.00 -0.45 0.00 0.00 34.95 31.70 3a79 s ARG 531 CO 0.07 0.09 0.60 0.54 -0.68 0.00 0.00 175.30 175.92 3a79 s ASN 532 N -4.11 4.79 0.00 0.23 4.22 -0.81 -4.43 114.94 114.83 3a79 s ASN 532 Ca 0.43 -1.12 0.04 0.00 -2.14 0.00 0.00 52.86 50.07 3a79 s ASN 532 Cb -0.08 0.50 0.25 0.00 1.28 0.00 0.00 41.25 43.19 3a79 s ASN 532 CO 0.30 -1.29 0.68 -0.24 -2.04 0.00 0.00 177.10 174.51 3a79 n SER 533 N -2.03 0.00 -0.05 3.54 2.88 -1.26 -2.61 113.62 114.10 3a79 n SER 533 Ca 0.06 -0.16 -0.10 0.00 -1.33 0.00 0.00 58.87 57.34 3a79 n SER 533 Cb 0.63 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.06 3a79 n SER 533 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a79 n ALA 534 N -0.94 2.16 0.00 -1.46 0.00 -1.26 -5.07 120.51 113.94 3a79 n ALA 534 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3a79 n ALA 534 Cb 0.01 0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3a79 n ALA 534 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a79 n GLY 535 N 2.35 0.06 3.96 0.00 0.00 -1.07 -5.16 105.19 105.33 3a79 n GLY 535 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 3a79 n GLY 535 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a79 s SER 536 N 0.00 6.32 0.15 1.61 1.04 -1.26 -4.72 113.70 116.84 3a79 s SER 536 Ca 0.00 0.17 -0.34 0.00 0.48 0.00 0.00 55.95 56.26 3a79 s SER 536 Cb 0.00 -1.91 -0.15 0.00 0.10 0.00 0.00 66.02 64.06 3a79 s SER 536 CO 0.00 -0.10 1.43 1.33 0.98 0.00 0.00 173.24 176.87 3a79 n VAL 537 N -1.38 0.25 -3.11 5.02 0.24 -1.26 -1.92 118.33 116.18 3a79 n VAL 537 Ca -0.08 -0.06 0.04 0.00 -2.04 0.00 0.00 64.34 62.20 3a79 n VAL 537 Cb 0.56 -1.22 -0.00 0.00 -1.47 0.00 0.00 33.84 31.72 3a79 n VAL 537 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a79 s ALA 538 N 0.49 -3.28 -0.89 2.33 0.00 0.28 -4.84 121.76 115.84 3a79 s ALA 538 Ca 0.78 1.08 0.24 0.00 0.00 0.00 0.00 51.96 54.06 3a79 s ALA 538 Cb -0.78 -2.74 0.97 0.00 0.00 0.00 0.00 23.12 20.57 3a79 s ALA 538 CO 0.44 -2.08 1.76 -2.30 0.00 0.00 0.00 175.76 173.58 3a79 n PRO 539 N 4.92 0.07 0.10 0.00 -0.02 -1.26 -3.17 135.00 135.63 3a79 n PRO 539 Ca 0.08 0.15 -0.04 0.00 -2.02 0.00 0.00 63.50 61.67 3a79 n PRO 539 Cb 0.57 -1.60 0.13 0.00 -0.02 0.00 0.00 33.50 32.58 3a79 n PRO 539 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3a79 h ASP 540 N 0.00 0.20 -0.95 2.55 5.19 -1.95 -3.36 116.42 118.10 3a79 h ASP 540 Ca 0.00 -0.12 0.29 0.00 -0.62 0.00 0.00 57.03 56.59 3a79 h ASP 540 Cb 0.47 -0.06 -0.16 0.00 0.18 0.00 0.00 39.33 39.76 3a79 h ASP 540 CO 0.00 0.76 0.26 0.28 -3.12 0.00 0.00 179.24 177.42 3a79 h SER 541 N 0.13 -0.05 -3.04 6.45 0.02 -1.90 -3.39 113.55 111.77 3a79 h SER 541 Ca -0.01 0.24 -0.53 0.00 -0.84 0.00 0.00 61.79 60.65 3a79 h SER 541 Cb 1.10 0.33 0.01 0.00 0.14 0.00 0.00 62.40 63.99 3a79 h SER 541 CO 0.09 -0.28 0.70 0.00 -1.14 0.00 0.00 176.83 176.20 3a79 s ALA 542 N -5.85 3.53 0.31 3.77 0.00 -1.26 -4.29 121.76 117.98 3a79 s ALA 542 Ca -0.12 0.98 0.03 0.00 0.00 0.00 0.00 51.96 52.86 3a79 s ALA 542 Cb 0.29 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 3a79 s ALA 542 CO 0.78 -0.63 0.07 0.15 0.00 0.00 0.00 175.76 176.13 3a79 s LYS 543 N 1.38 1.60 -0.02 0.00 -0.14 -1.26 -2.75 119.74 118.55 3a79 s LYS 543 Ca 0.63 -1.89 -0.01 0.00 -1.36 0.00 0.00 55.97 53.34 3a79 s LYS 543 Cb -0.33 -0.70 -0.04 0.00 -1.68 0.00 0.00 37.83 35.08 3a79 s LYS 543 CO 0.29 -0.23 0.09 0.00 -0.76 0.00 0.00 175.35 174.74 3a79 s SER 545 N -1.63 5.70 0.00 0.00 0.01 -0.78 -2.92 113.70 114.07 3a79 s SER 545 Ca 0.22 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 56.10 3a79 s SER 545 Cb -0.12 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.54 3a79 s SER 545 CO 0.13 -2.30 0.00 0.61 0.41 0.00 0.00 173.24 172.09 3a79 n GLY 546 N 6.38 1.27 0.13 3.44 0.00 -1.26 -4.88 105.19 110.27 3a79 n GLY 546 Ca 0.41 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 3a79 n GLY 546 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a79 n SER 547 N 0.00 2.08 0.00 1.61 3.41 -1.25 -4.98 113.62 114.49 3a79 n SER 547 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 3a79 n SER 547 Cb 0.00 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 3a79 n SER 547 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a79 n GLY 548 N 1.96 0.89 3.71 5.00 0.00 -1.15 -5.00 105.19 110.59 3a79 n GLY 548 Ca -0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3a79 n GLY 548 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a79 s LYS 549 N -0.81 4.39 -0.35 1.61 1.02 -1.26 -4.49 119.74 119.85 3a79 s LYS 549 Ca 0.00 1.80 -0.42 0.00 0.02 0.00 0.00 55.97 57.37 3a79 s LYS 549 Cb 0.00 -3.40 -0.17 0.00 -0.52 0.00 0.00 37.83 33.74 3a79 s LYS 549 CO 0.00 -0.34 1.76 -2.30 -0.92 0.00 0.00 175.35 173.54 3a79 n PRO 550 N 4.34 0.84 0.11 -1.68 -0.02 -1.26 -2.81 135.00 134.51 3a79 n PRO 550 Ca 0.10 0.30 0.19 0.00 -2.02 0.00 0.00 63.50 62.08 3a79 n PRO 550 Cb 0.46 -1.96 0.76 0.00 -0.02 0.00 0.00 33.50 32.74 3a79 n PRO 550 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3a79 h VAL 551 N 5.38 0.46 -0.00 -1.45 2.07 -1.80 0.14 116.25 121.03 3a79 h VAL 551 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3a79 h VAL 551 Cb 1.33 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3a79 h VAL 551 CO 0.98 0.00 -0.08 -2.11 0.02 0.00 0.00 177.57 176.38 3a79 n ARG 552 N -3.84 0.41 0.02 1.57 -4.01 -1.26 -3.08 116.66 106.47 3a79 n ARG 552 Ca 0.06 -0.08 -0.19 0.00 -1.04 0.00 0.00 57.85 56.60 3a79 n ARG 552 Cb 0.53 -1.50 -0.09 0.00 -3.04 0.00 0.00 32.46 28.37 3a79 n ARG 552 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 3a79 h SER 553 N 0.20 0.89 -3.09 2.89 4.64 -1.08 -3.47 113.55 114.54 3a79 h SER 553 Ca 0.00 -0.67 -0.53 0.00 -0.47 0.00 0.00 61.79 60.13 3a79 h SER 553 Cb 0.37 -0.27 0.07 0.00 -0.31 0.00 0.00 62.40 62.26 3a79 h SER 553 CO 0.00 1.47 0.92 -0.63 -0.87 0.00 0.00 176.83 177.72 3a79 s ILE 554 N -3.47 2.10 -0.27 0.95 1.01 -1.18 -5.01 121.20 115.33 3a79 s ILE 554 Ca -0.10 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.66 3a79 s ILE 554 Cb 0.08 -3.05 0.07 0.00 0.01 0.00 0.00 42.46 39.56 3a79 s ILE 554 CO 0.91 0.01 -0.07 -0.63 0.00 0.00 0.00 174.94 175.16 3a79 s ILE 555 N 0.43 2.02 -0.35 2.92 -1.09 -1.26 -4.90 121.20 118.97 3a79 s ILE 555 Ca 0.67 -1.66 -0.06 0.00 -2.23 0.00 0.00 60.65 57.37 3a79 s ILE 555 Cb -0.48 -2.23 0.05 0.00 -1.58 0.00 0.00 42.46 38.22 3a79 s ILE 555 CO 0.42 -0.15 0.13 0.00 -1.23 0.00 0.00 174.94 174.10