#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5m s MET 2 N 0.00 4.37 0.35 4.33 -1.94 -1.26 -0.95 119.30 124.20 3d5m s MET 2 Ca 0.00 1.74 0.12 0.00 -1.71 0.00 0.00 55.69 55.84 3d5m s MET 2 Cb 0.00 -3.49 0.95 0.00 2.01 0.00 0.00 34.83 34.30 3d5m s MET 2 CO 0.00 -0.40 1.76 0.66 -0.01 0.00 0.00 175.02 177.04 3d5m h SER 3 N 7.28 0.60 -4.20 3.03 4.64 -1.31 -3.40 113.55 120.19 3d5m h SER 3 Ca -0.37 0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 60.90 3d5m h SER 3 Cb 1.18 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.04 3d5m h SER 3 CO 0.86 0.14 -0.42 -0.31 -0.87 0.00 0.00 176.83 176.23 3d5m s TYR 4 N -5.67 -0.20 -0.06 4.77 2.02 -1.26 -0.80 117.35 116.15 3d5m s TYR 4 Ca -0.10 0.45 0.02 0.00 -0.37 0.00 0.00 57.07 57.07 3d5m s TYR 4 Cb 0.26 0.07 -0.03 0.00 -0.40 0.00 0.00 41.96 41.86 3d5m s TYR 4 CO 0.80 -0.20 -0.11 0.99 -1.57 0.00 0.00 175.55 175.47 3d5m s THR 5 N -0.36 3.38 -0.07 -0.71 2.01 0.11 -4.86 115.64 115.14 3d5m s THR 5 Ca -0.05 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.40 3d5m s THR 5 Cb -0.03 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 3d5m s THR 5 CO 0.01 0.59 -0.20 0.26 -0.69 0.00 0.00 174.62 174.60 3d5m s TRP 6 N -0.68 2.58 0.03 4.92 0.52 -1.26 0.52 118.94 125.57 3d5m s TRP 6 Ca 0.10 -0.52 -0.19 0.00 0.02 0.00 0.00 56.10 55.51 3d5m s TRP 6 Cb -0.11 -1.65 -0.19 0.00 -1.15 0.00 0.00 33.47 30.37 3d5m s TRP 6 CO 0.01 -0.08 1.20 1.79 0.02 0.00 0.00 176.95 179.89 3d5m h THR 7 N 4.88 1.39 0.00 2.01 1.35 -1.22 -3.47 112.91 117.84 3d5m h THR 7 Ca -0.36 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 3d5m h THR 7 Cb 1.17 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.87 3d5m h THR 7 CO 0.50 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.92 3d5m n GLY 8 N 0.75 1.15 3.76 5.82 0.00 -1.26 -5.07 105.19 110.34 3d5m n GLY 8 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3d5m n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5m s ALA 9 N -1.02 3.08 0.47 4.61 0.00 -1.26 -4.99 121.76 122.65 3d5m s ALA 9 Ca 0.00 1.26 -0.20 0.00 0.00 0.00 0.00 51.96 53.02 3d5m s ALA 9 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 3d5m s ALA 9 CO 0.00 -1.03 0.99 -0.51 0.00 0.00 0.00 175.76 175.21 3d5m s LEU 10 N -2.92 3.82 -0.21 0.00 1.43 -1.26 -4.79 118.68 114.75 3d5m s LEU 10 Ca 0.63 1.75 -0.28 0.00 -1.03 0.00 0.00 54.13 55.21 3d5m s LEU 10 Cb -0.38 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.30 3d5m s LEU 10 CO 0.48 -0.59 0.98 -0.63 0.23 0.00 0.00 176.35 176.81 3d5m s ILE 11 N -2.22 4.74 0.00 -0.59 1.01 -1.26 -4.82 121.20 118.06 3d5m s ILE 11 Ca 0.63 1.91 0.04 0.00 0.00 0.00 0.00 60.65 63.24 3d5m s ILE 11 Cb -0.12 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 3d5m s ILE 11 CO 0.20 -0.12 -0.12 0.42 0.00 0.00 0.00 174.94 175.32 3d5m s THR 12 N 2.92 3.26 0.66 2.92 -4.23 -1.26 -4.87 115.64 115.04 3d5m s THR 12 Ca 0.42 -0.89 -0.14 0.00 -1.18 0.00 0.00 61.69 59.90 3d5m s THR 12 Cb -0.16 -2.37 -0.00 0.00 1.34 0.00 0.00 72.50 71.31 3d5m s THR 12 CO 0.08 0.42 1.08 -2.16 -0.54 0.00 0.00 174.62 173.50 3d5m s PRO 13 N -1.28 2.92 -0.22 3.99 0.04 -1.26 -4.33 135.00 134.87 3d5m s PRO 13 Ca 0.15 1.23 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 3d5m s PRO 13 Cb -0.11 -1.98 -0.14 0.00 0.04 0.00 0.00 34.50 32.31 3d5m s PRO 13 CO 0.05 -1.13 -0.02 0.00 0.04 0.00 0.00 177.00 175.94 3d5m s ALA 15 N -2.48 4.42 0.53 0.00 0.00 -1.26 -5.11 121.76 117.86 3d5m s ALA 15 Ca -0.30 -1.28 -0.21 0.00 0.00 0.00 0.00 51.96 50.17 3d5m s ALA 15 Cb 0.08 -0.73 -0.06 0.00 0.00 0.00 0.00 23.12 22.41 3d5m s ALA 15 CO 0.51 -0.44 1.22 0.00 0.00 0.00 0.00 175.76 177.04 3d5m s ALA 16 N -2.77 2.78 -0.06 0.00 0.00 -1.26 -5.03 121.76 115.43 3d5m s ALA 16 Ca 0.34 1.03 0.05 0.00 0.00 0.00 0.00 51.96 53.38 3d5m s ALA 16 Cb -0.02 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 3d5m s ALA 16 CO 0.21 -0.98 -0.20 -1.21 0.00 0.00 0.00 175.76 173.59 3d5m s GLU 17 N -3.00 2.56 -0.08 0.00 2.02 -1.26 -5.12 118.70 113.82 3d5m s GLU 17 Ca 0.70 -0.80 -0.12 0.00 0.02 0.00 0.00 54.97 54.77 3d5m s GLU 17 Cb -0.31 -2.28 -0.05 0.00 0.10 0.00 0.00 34.13 31.59 3d5m s GLU 17 CO 0.36 0.49 0.30 -1.21 0.02 0.00 0.00 175.26 175.22 3d5m s GLU 18 N -0.40 3.89 -0.13 1.61 2.02 -1.26 -4.99 118.70 119.45 3d5m s GLU 18 Ca 0.04 0.17 0.06 0.00 0.02 0.00 0.00 54.97 55.26 3d5m s GLU 18 Cb -0.12 -3.27 -0.12 0.00 0.10 0.00 0.00 34.13 30.71 3d5m s GLU 18 CO 0.02 0.58 -0.03 -1.13 0.02 0.00 0.00 175.26 174.72 3d5m n SER 19 N 2.40 2.45 -4.80 -0.19 3.41 -1.26 -4.58 113.62 111.06 3d5m n SER 19 Ca -0.15 -0.03 -0.38 0.00 -0.26 0.00 0.00 58.87 58.04 3d5m n SER 19 Cb 0.53 0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 64.79 3d5m n SER 19 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3d5m s LYS 20 N -2.28 4.38 -0.24 4.33 0.00 -1.26 -0.61 119.74 124.06 3d5m s LYS 20 Ca -0.11 0.96 -0.36 0.00 0.00 0.00 0.00 55.97 56.47 3d5m s LYS 20 Cb 0.04 -3.15 -0.12 0.00 0.00 0.00 0.00 37.83 34.60 3d5m s LYS 20 CO 0.42 0.54 1.99 -0.11 0.00 0.00 0.00 175.35 178.19 3d5m n LEU 21 N 1.40 2.71 -4.75 2.77 7.94 -1.24 -4.91 117.00 120.92 3d5m n LEU 21 Ca -0.06 0.74 -0.42 0.00 -1.11 0.00 0.00 56.01 55.16 3d5m n LEU 21 Cb 0.50 -1.29 -0.01 0.00 0.53 0.00 0.00 43.42 43.15 3d5m n LEU 21 CO 0.44 -0.42 1.21 -2.65 -1.11 0.00 0.00 177.39 174.85 3d5m n PRO 22 N 7.09 2.66 -5.18 1.96 -0.02 -1.26 -5.02 135.00 135.23 3d5m n PRO 22 Ca 0.31 0.94 -0.32 0.00 -2.02 0.00 0.00 63.50 62.41 3d5m n PRO 22 Cb 0.24 -2.71 -0.16 0.00 -0.02 0.00 0.00 33.50 30.85 3d5m n PRO 22 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3d5m s ILE 23 N -0.24 2.22 0.06 4.25 -1.09 -1.26 -4.67 121.20 120.47 3d5m s ILE 23 Ca 0.62 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 3d5m s ILE 23 Cb -0.50 -1.84 -0.00 0.00 -1.58 0.00 0.00 42.46 38.54 3d5m s ILE 23 CO 0.52 0.56 0.04 -0.46 -1.23 0.00 0.00 174.94 174.37 3d5m n ASN 24 N 3.17 0.34 0.12 3.58 6.94 -1.26 -5.02 115.26 123.12 3d5m n ASN 24 Ca -0.18 -1.36 0.11 0.00 -0.02 0.00 0.00 54.58 53.13 3d5m n ASN 24 Cb 0.52 0.23 0.47 0.00 -2.36 0.00 0.00 39.78 38.65 3d5m n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3d5m n ALA 25 N -2.65 1.47 0.14 -2.53 0.00 -1.26 -2.48 120.51 113.20 3d5m n ALA 25 Ca -0.02 0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.63 3d5m n ALA 25 Cb 0.10 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 3d5m n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3d5m n LEU 26 N -2.13 0.34 -0.04 0.00 4.77 -1.26 -4.62 117.00 114.06 3d5m n LEU 26 Ca 0.01 0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 3d5m n LEU 26 Cb 0.16 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 3d5m n LEU 26 CO 0.16 -0.03 0.51 0.28 -1.33 0.00 0.00 177.39 176.97 3d5m h SER 27 N 0.00 -1.75 -0.16 -1.43 0.02 -1.84 -2.94 113.55 105.45 3d5m h SER 27 Ca 0.00 0.21 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 3d5m h SER 27 Cb 0.94 0.69 -0.01 0.00 0.14 0.00 0.00 62.40 64.17 3d5m h SER 27 CO 0.00 -0.47 0.14 0.78 -1.14 0.00 0.00 176.83 176.14 3d5m h ASN 28 N -0.54 0.00 0.27 3.07 2.35 -1.80 0.70 115.58 119.63 3d5m h ASN 28 Ca 0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3d5m h ASN 28 Cb 0.66 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 3d5m h ASN 28 CO -0.47 0.00 -0.16 0.77 -1.65 0.00 0.00 177.43 175.92 3d5m h SER 29 N 0.00 0.00 0.05 5.81 4.64 -1.82 -3.27 113.55 118.96 3d5m h SER 29 Ca 0.08 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.02 3d5m h SER 29 Cb 0.35 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.40 3d5m h SER 29 CO -0.00 0.16 -2.17 -0.11 -0.87 0.00 0.00 176.83 173.84 3d5m n LEU 30 N -3.97 2.58 -3.67 5.97 7.94 0.18 -4.61 117.00 121.41 3d5m n LEU 30 Ca -0.02 0.12 -0.09 0.00 -1.11 0.00 0.00 56.01 54.91 3d5m n LEU 30 Cb 0.25 -0.98 -0.09 0.00 0.53 0.00 0.00 43.42 43.12 3d5m n LEU 30 CO 0.33 0.78 0.15 -0.22 -1.11 0.00 0.00 177.39 177.32 3d5m s LEU 31 N -7.01 -0.44 -0.08 -1.96 0.20 -0.82 -4.24 118.68 104.34 3d5m s LEU 31 Ca -0.30 1.12 0.03 0.00 0.69 0.00 0.00 54.13 55.67 3d5m s LEU 31 Cb 0.09 1.70 -0.25 0.00 -0.43 0.00 0.00 46.19 47.30 3d5m s LEU 31 CO 0.65 -0.21 0.52 0.54 -0.29 0.00 0.00 176.35 177.56 3d5m n ARG 32 N 4.43 0.69 -2.54 1.98 5.12 0.63 -4.03 116.66 122.94 3d5m n ARG 32 Ca -0.21 0.28 -0.43 0.00 -1.93 0.00 0.00 57.85 55.57 3d5m n ARG 32 Cb 0.56 -1.75 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 3d5m n ARG 32 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3d5m n HIS 33 N -3.25 3.63 0.26 -1.55 8.25 -0.45 -4.79 115.22 117.32 3d5m n HIS 33 Ca -0.24 -2.98 0.11 0.00 -0.26 0.00 0.00 57.72 54.36 3d5m n HIS 33 Cb 1.05 -2.04 0.72 0.00 1.12 0.00 0.00 29.99 30.84 3d5m n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3d5m h HIS 34 N 6.22 0.00 0.00 4.41 3.86 -1.85 -2.17 115.15 125.62 3d5m h HIS 34 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 3d5m h HIS 34 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 3d5m h HIS 34 CO 1.20 0.10 0.00 -2.95 0.86 0.00 0.00 177.93 177.15 3d5m h ASN 35 N 0.00 0.00 1.45 2.45 7.08 -1.98 -2.85 115.58 121.73 3d5m h ASN 35 Ca -0.00 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.17 3d5m h ASN 35 Cb 0.24 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.47 3d5m h ASN 35 CO 0.01 0.00 -0.23 0.24 -2.08 0.00 0.00 177.43 175.37 3d5m h MET 36 N 0.00 0.00 -5.29 4.14 2.86 -1.78 -3.46 114.93 111.39 3d5m h MET 36 Ca 0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 3d5m h MET 36 Cb 0.38 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.91 3d5m h MET 36 CO 0.00 0.23 -0.52 0.08 1.06 0.00 0.00 176.91 177.77 3d5m s VAL 37 N -3.28 5.17 0.09 -2.22 1.01 -1.07 -0.02 120.40 120.07 3d5m s VAL 37 Ca 0.04 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 3d5m s VAL 37 Cb 0.08 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 3d5m s VAL 37 CO 0.68 0.46 0.09 -0.72 0.00 0.00 0.00 175.10 175.60 3d5m s TYR 38 N 0.31 0.47 0.05 5.22 1.13 -0.68 -3.69 117.35 120.16 3d5m s TYR 38 Ca 0.06 -0.93 0.07 0.00 -1.41 0.00 0.00 57.07 54.86 3d5m s TYR 38 Cb -0.12 -0.27 -0.03 0.00 -1.10 0.00 0.00 41.96 40.44 3d5m s TYR 38 CO -0.01 -0.50 -0.16 0.00 -2.51 0.00 0.00 175.55 172.37 3d5m s ALA 39 N -3.93 2.69 0.41 9.51 0.00 0.22 -1.00 121.76 129.66 3d5m s ALA 39 Ca 0.11 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.65 3d5m s ALA 39 Cb 0.06 -0.79 -0.10 0.00 0.00 0.00 0.00 23.12 22.30 3d5m s ALA 39 CO -0.07 0.59 0.97 0.95 0.00 0.00 0.00 175.76 178.20 3d5m s THR 40 N -0.99 4.19 0.32 0.00 -4.23 -0.45 -4.52 115.64 109.95 3d5m s THR 40 Ca 0.16 1.49 0.03 0.00 -1.18 0.00 0.00 61.69 62.19 3d5m s THR 40 Cb -0.11 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 3d5m s THR 40 CO 0.07 -0.17 0.14 0.42 -0.54 0.00 0.00 174.62 174.54 3d5m s THR 41 N -1.97 0.48 0.66 3.99 -4.23 -1.26 -3.98 115.64 109.32 3d5m s THR 41 Ca 0.60 -2.00 0.42 0.00 -1.18 0.00 0.00 61.69 59.53 3d5m s THR 41 Cb -0.14 -2.53 0.43 0.00 1.34 0.00 0.00 72.50 71.60 3d5m s THR 41 CO 0.18 0.00 2.34 0.77 -0.54 0.00 0.00 174.62 177.37 3d5m h SER 42 N 2.16 0.00 -0.70 3.99 4.64 -1.88 -2.74 113.55 119.03 3d5m h SER 42 Ca -0.35 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.13 3d5m h SER 42 Cb 1.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 3d5m h SER 42 CO 0.55 0.00 0.48 -0.09 -0.87 0.00 0.00 176.83 176.90 3d5m h ARG 43 N 0.00 0.27 -0.64 4.77 2.43 -1.96 -0.07 114.38 119.19 3d5m h ARG 43 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3d5m h ARG 43 Cb 0.04 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3d5m h ARG 43 CO -0.00 0.18 0.00 -1.13 -1.51 0.00 0.00 179.97 177.51 3d5m n SER 44 N -4.44 5.05 -0.18 -3.80 3.41 -1.03 -4.50 113.62 108.12 3d5m n SER 44 Ca 0.13 -2.61 -0.10 0.00 -0.26 0.00 0.00 58.87 56.03 3d5m n SER 44 Cb 0.57 -0.62 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 3d5m n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d5m h ALA 45 N 4.07 0.70 -0.97 7.33 0.00 -1.14 -2.74 119.26 126.52 3d5m h ALA 45 Ca 0.00 -0.29 0.21 0.00 0.00 0.00 0.00 54.91 54.83 3d5m h ALA 45 Cb 1.63 -0.19 -0.12 0.00 0.00 0.00 0.00 17.79 19.11 3d5m h ALA 45 CO 0.33 0.52 0.55 0.78 0.00 0.00 0.00 179.25 181.42 3d5m h GLY 46 N 0.79 1.75 1.02 0.00 0.00 -1.79 -0.53 103.07 104.30 3d5m h GLY 46 Ca 0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 3d5m h GLY 46 CO 0.03 -0.17 -0.04 1.41 0.00 0.00 0.00 176.54 177.77 3d5m h LEU 47 N 0.61 0.87 -0.41 3.11 3.38 -1.82 -2.75 115.31 118.31 3d5m h LEU 47 Ca 0.59 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 3d5m h LEU 47 Cb 1.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3d5m h LEU 47 CO -0.44 0.99 0.04 -0.09 0.09 0.00 0.00 178.44 179.02 3d5m h ARG 48 N 0.73 0.70 -0.38 1.13 9.65 -1.19 -2.67 114.38 122.35 3d5m h ARG 48 Ca 0.13 -0.20 0.08 0.00 -1.10 0.00 0.00 59.98 58.89 3d5m h ARG 48 Cb 0.56 -0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 28.98 3d5m h ARG 48 CO 0.03 0.76 -0.32 1.96 2.80 0.00 0.00 179.97 185.20 3d5m h GLN 49 N 0.54 -0.24 -0.36 0.20 4.20 -1.06 0.36 115.11 118.74 3d5m h GLN 49 Ca 0.12 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.92 3d5m h GLN 49 Cb 0.42 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.18 3d5m h GLN 49 CO 0.01 -0.16 -0.16 0.87 -0.67 0.00 0.00 178.83 178.72 3d5m h LYS 50 N -0.25 -0.09 -0.82 1.46 1.57 -1.40 -2.05 116.57 114.98 3d5m h LYS 50 Ca 0.17 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3d5m h LYS 50 Cb 0.53 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 3d5m h LYS 50 CO -0.52 -0.06 0.48 -0.22 -0.57 0.00 0.00 179.45 178.56 3d5m h LYS 51 N -0.10 1.12 -0.02 3.15 3.64 -0.94 -2.94 116.57 120.49 3d5m h LYS 51 Ca 0.18 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3d5m h LYS 51 Cb 0.38 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3d5m h LYS 51 CO -0.43 0.79 -0.05 1.33 -2.27 0.00 0.00 179.45 178.82 3d5m n VAL 52 N -4.37 0.00 -3.55 2.00 0.24 0.02 -4.81 118.33 107.86 3d5m n VAL 52 Ca 0.09 -0.28 -0.41 0.00 -2.04 0.00 0.00 64.34 61.69 3d5m n VAL 52 Cb 0.07 0.72 -0.09 0.00 -1.47 0.00 0.00 33.84 33.07 3d5m n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3d5m s THR 53 N -2.09 4.46 0.21 3.34 2.01 -0.80 -4.70 115.64 118.07 3d5m s THR 53 Ca 0.33 -1.32 -0.16 0.00 0.31 0.00 0.00 61.69 60.85 3d5m s THR 53 Cb 0.20 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 69.02 3d5m s THR 53 CO 0.36 -0.52 0.50 0.72 -0.69 0.00 0.00 174.62 174.99 3d5m s PHE 54 N 1.47 0.04 0.14 4.92 -0.12 -1.26 -4.95 117.98 118.22 3d5m s PHE 54 Ca 0.03 -0.40 -0.25 0.00 -0.05 0.00 0.00 56.93 56.26 3d5m s PHE 54 Cb -0.23 0.33 -0.07 0.00 -0.63 0.00 0.00 43.02 42.41 3d5m s PHE 54 CO 0.03 -0.94 0.78 0.34 -0.05 0.00 0.00 175.22 175.38 3d5m s ASP 55 N -2.92 7.36 -0.15 1.98 2.15 -1.26 -0.89 116.67 122.94 3d5m s ASP 55 Ca 0.13 1.62 -0.03 0.00 0.43 0.00 0.00 52.55 54.70 3d5m s ASP 55 Cb -0.01 -2.50 -0.02 0.00 -0.30 0.00 0.00 42.92 40.09 3d5m s ASP 55 CO 0.01 0.16 -0.06 -0.13 -0.17 0.00 0.00 175.17 174.98 3d5m s ARG 56 N -0.88 3.59 0.04 4.34 3.00 -0.12 -4.93 118.95 123.99 3d5m s ARG 56 Ca 0.37 -0.57 0.07 0.00 0.00 0.00 0.00 55.73 55.60 3d5m s ARG 56 Cb -0.23 -2.85 -0.03 0.00 0.00 0.00 0.00 34.95 31.84 3d5m s ARG 56 CO 0.26 0.21 -0.15 -0.51 0.00 0.00 0.00 175.30 175.10 3d5m s LEU 57 N 0.43 2.75 -0.05 2.53 1.43 -1.26 -2.05 118.68 122.46 3d5m s LEU 57 Ca -0.05 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3d5m s LEU 57 Cb -0.15 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.51 3d5m s LEU 57 CO 0.03 0.25 0.10 -1.58 0.23 0.00 0.00 176.35 175.38 3d5m s GLN 58 N -1.54 0.04 -0.18 1.70 0.74 -1.26 -4.06 119.66 115.10 3d5m s GLN 58 Ca 0.16 0.31 -0.00 0.00 0.05 0.00 0.00 55.36 55.88 3d5m s GLN 58 Cb -0.11 -0.22 0.04 0.00 1.10 0.00 0.00 33.01 33.83 3d5m s GLN 58 CO 0.07 -0.18 -0.07 0.08 -0.55 0.00 0.00 175.29 174.64 3d5m s VAL 59 N 1.20 1.30 -0.18 1.34 1.01 0.24 -5.01 120.40 120.30 3d5m s VAL 59 Ca -0.08 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 3d5m s VAL 59 Cb -0.12 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.83 3d5m s VAL 59 CO -0.05 0.16 -0.13 -0.76 0.00 0.00 0.00 175.10 174.31 3d5m s LEU 60 N 1.55 2.50 0.00 3.92 1.43 -1.26 -4.20 118.68 122.62 3d5m s LEU 60 Ca 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 3d5m s LEU 60 Cb -0.15 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3d5m s LEU 60 CO -0.08 0.03 0.00 -0.90 0.23 0.00 0.00 176.35 175.63 3d5m n ASP 61 N 4.43 0.97 -0.16 2.29 5.75 -1.26 -4.99 116.55 123.59 3d5m n ASP 61 Ca -0.19 -1.00 -0.09 0.00 -0.01 0.00 0.00 54.79 53.50 3d5m n ASP 61 Cb 0.51 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3d5m n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3d5m h ASP 62 N 0.00 0.72 -0.64 -1.12 3.32 -1.99 -2.55 116.42 114.16 3d5m h ASP 62 Ca 0.00 -0.26 0.11 0.00 0.02 0.00 0.00 57.03 56.90 3d5m h ASP 62 Cb 0.00 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.28 3d5m h ASP 62 CO 0.00 0.79 0.21 0.45 -1.72 0.00 0.00 179.24 178.98 3d5m h HIS 63 N 0.61 0.36 0.16 4.55 3.86 -1.96 0.22 115.15 122.95 3d5m h HIS 63 Ca 0.14 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 3d5m h HIS 63 Cb 0.38 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 3d5m h HIS 63 CO 0.03 0.05 -0.25 -0.92 0.86 0.00 0.00 177.93 177.70 3d5m h TYR 64 N 0.37 -0.66 -0.59 2.45 3.20 -1.82 -1.88 116.97 118.04 3d5m h TYR 64 Ca 0.33 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.15 3d5m h TYR 64 Cb 0.46 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 3d5m h TYR 64 CO -0.19 -0.35 0.13 0.00 -1.64 0.00 0.00 178.16 176.10 3d5m h ARG 65 N -0.48 0.93 -0.09 1.82 3.08 -1.02 -1.81 114.38 116.81 3d5m h ARG 65 Ca 0.02 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3d5m h ARG 65 Cb 0.48 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3d5m h ARG 65 CO -0.11 0.84 0.05 -0.44 -1.07 0.00 0.00 179.97 179.24 3d5m h ASP 66 N 0.89 0.12 -0.28 7.04 3.32 -0.46 -1.08 116.42 125.98 3d5m h ASP 66 Ca 0.19 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3d5m h ASP 66 Cb 0.34 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3d5m h ASP 66 CO 0.00 0.20 0.18 0.58 -1.72 0.00 0.00 179.24 178.48 3d5m h VAL 67 N 0.03 1.08 -0.66 -1.35 2.07 -1.23 -2.36 116.25 113.82 3d5m h VAL 67 Ca 0.03 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.46 3d5m h VAL 67 Cb 0.11 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 3d5m h VAL 67 CO -0.00 0.07 0.36 0.25 0.02 0.00 0.00 177.57 178.27 3d5m h LEU 68 N 0.37 0.52 -0.24 2.57 5.85 -1.19 -0.30 115.31 122.89 3d5m h LEU 68 Ca 0.10 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3d5m h LEU 68 Cb -0.03 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3d5m h LEU 68 CO -0.02 0.33 -0.16 0.50 -0.34 0.00 0.00 178.44 178.75 3d5m h LYS 69 N 0.65 -0.14 -0.86 1.25 3.64 -1.02 0.58 116.57 120.67 3d5m h LYS 69 Ca 0.30 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.77 3d5m h LYS 69 Cb 0.22 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.01 3d5m h LYS 69 CO -0.20 -0.10 0.53 0.93 -2.27 0.00 0.00 179.45 178.34 3d5m h GLU 70 N -0.15 0.91 -0.33 1.90 5.08 -0.78 -1.40 114.58 119.81 3d5m h GLU 70 Ca 0.14 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3d5m h GLU 70 Cb 0.35 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3d5m h GLU 70 CO -0.33 0.60 -0.01 0.52 -1.00 0.00 0.00 179.01 178.79 3d5m h MET 71 N 0.94 0.58 -0.49 2.33 2.86 -0.35 -2.74 114.93 118.05 3d5m h MET 71 Ca 0.39 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 3d5m h MET 71 Cb 0.23 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3d5m h MET 71 CO -0.20 0.72 0.05 0.87 1.06 0.00 0.00 176.91 179.41 3d5m h LYS 72 N 0.38 0.79 -0.58 1.72 1.57 -0.65 -0.10 116.57 119.71 3d5m h LYS 72 Ca 0.09 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3d5m h LYS 72 Cb 0.46 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 3d5m h LYS 72 CO 0.02 0.77 0.34 0.00 -0.57 0.00 0.00 179.45 180.00 3d5m h ALA 73 N 1.30 0.74 -0.28 3.86 0.00 -1.07 0.53 119.26 124.34 3d5m h ALA 73 Ca 0.15 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3d5m h ALA 73 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3d5m h ALA 73 CO 0.01 0.23 -0.17 0.87 0.00 0.00 0.00 179.25 180.19 3d5m h LYS 74 N 0.78 0.61 -0.70 0.00 1.57 -1.31 -2.96 116.57 114.56 3d5m h LYS 74 Ca 0.21 -0.28 0.13 0.00 -1.87 0.00 0.00 60.65 58.84 3d5m h LYS 74 Cb 0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 3d5m h LYS 74 CO -0.04 0.86 0.47 0.00 -0.57 0.00 0.00 179.45 180.18 3d5m h ALA 75 N 0.73 2.11 0.00 3.86 0.00 -0.75 -1.74 119.26 123.47 3d5m h ALA 75 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3d5m h ALA 75 Cb 0.70 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3d5m h ALA 75 CO 0.05 -0.29 0.00 -1.13 0.00 0.00 0.00 179.25 177.88 3d5m n SER 76 N -4.47 0.00 -0.36 0.00 3.41 0.15 -1.65 113.62 110.70 3d5m n SER 76 Ca 0.13 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 3d5m n SER 76 Cb 0.49 -0.43 0.28 0.00 -0.26 0.00 0.00 64.21 64.29 3d5m n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3d5m n THR 77 N -1.43 0.00 -2.93 6.66 -2.24 -0.65 -4.63 114.28 109.05 3d5m n THR 77 Ca 0.05 -0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.24 3d5m n THR 77 Cb 0.17 0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 3d5m n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3d5m s VAL 78 N -2.43 4.64 -0.16 2.28 1.01 -0.66 -4.96 120.40 120.12 3d5m s VAL 78 Ca 0.24 1.72 0.01 0.00 0.00 0.00 0.00 61.98 63.95 3d5m s VAL 78 Cb 0.19 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3d5m s VAL 78 CO 0.51 0.38 -0.16 -0.75 0.00 0.00 0.00 175.10 175.07 3d5m s LYS 79 N -0.19 3.17 0.09 2.72 2.20 -1.26 0.13 119.74 126.58 3d5m s LYS 79 Ca 0.40 -0.77 0.07 0.00 -0.36 0.00 0.00 55.97 55.31 3d5m s LYS 79 Cb -0.21 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.47 3d5m s LYS 79 CO 0.25 -0.02 -0.19 0.00 -0.36 0.00 0.00 175.35 175.03 3d5m s ALA 80 N 0.90 1.59 0.13 3.13 0.00 -0.64 -4.95 121.76 121.92 3d5m s ALA 80 Ca -0.04 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 50.86 3d5m s ALA 80 Cb -0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 3d5m s ALA 80 CO -0.02 0.30 -0.11 -1.59 0.00 0.00 0.00 175.76 174.34 3d5m s LYS 81 N -1.78 2.06 0.20 0.00 0.00 -1.26 -4.40 119.74 114.55 3d5m s LYS 81 Ca 0.04 -1.13 -0.30 0.00 0.00 0.00 0.00 55.97 54.57 3d5m s LYS 81 Cb -0.10 -2.23 -0.09 0.00 0.00 0.00 0.00 37.83 35.41 3d5m s LYS 81 CO 0.03 0.48 1.40 -0.51 0.00 0.00 0.00 175.35 176.75 3d5m s LEU 82 N -2.43 4.39 0.48 2.77 1.43 -1.26 -4.51 118.68 119.55 3d5m s LEU 82 Ca 0.22 2.51 -0.19 0.00 -1.03 0.00 0.00 54.13 55.64 3d5m s LEU 82 Cb -0.10 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 3d5m s LEU 82 CO 0.14 -0.65 0.99 -0.76 0.23 0.00 0.00 176.35 176.30 3d5m s LEU 83 N 0.12 3.79 0.65 1.79 1.02 -0.68 -5.05 118.68 120.33 3d5m s LEU 83 Ca 0.60 1.71 -0.10 0.00 0.02 0.00 0.00 54.13 56.36 3d5m s LEU 83 Cb -0.39 -4.53 -0.00 0.00 0.02 0.00 0.00 46.19 41.28 3d5m s LEU 83 CO 0.38 -0.57 1.04 -0.94 0.02 0.00 0.00 176.35 176.27 3d5m s SER 84 N -2.45 5.73 0.20 2.29 1.04 -1.26 -4.64 113.70 114.62 3d5m s SER 84 Ca 0.62 1.15 -0.17 0.00 0.48 0.00 0.00 55.95 58.03 3d5m s SER 84 Cb -0.11 -2.07 0.20 0.00 0.10 0.00 0.00 66.02 64.13 3d5m s SER 84 CO 0.22 -1.13 1.60 0.58 0.98 0.00 0.00 173.24 175.48 3d5m h VAL 85 N -0.45 0.22 -0.71 5.02 2.07 -1.97 -1.23 116.25 119.20 3d5m h VAL 85 Ca -0.45 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3d5m h VAL 85 Cb 1.23 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3d5m h VAL 85 CO 0.63 0.00 0.36 1.05 0.02 0.00 0.00 177.57 179.63 3d5m h GLU 86 N -0.09 1.01 -0.67 1.57 9.09 -1.98 -0.44 114.58 123.09 3d5m h GLU 86 Ca 0.28 -0.14 -0.03 0.00 0.05 0.00 0.00 59.36 59.52 3d5m h GLU 86 Cb 0.54 -0.19 -0.03 0.00 -1.65 0.00 0.00 28.75 27.42 3d5m h GLU 86 CO -0.70 0.78 0.29 0.93 0.05 0.00 0.00 179.01 180.35 3d5m h GLU 87 N 0.99 0.98 -0.54 1.06 5.08 -1.77 -1.27 114.58 119.11 3d5m h GLU 87 Ca 0.25 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 3d5m h GLU 87 Cb 0.09 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3d5m h GLU 87 CO -0.03 0.81 -0.08 0.00 -1.00 0.00 0.00 179.01 178.70 3d5m h ALA 88 N 1.13 0.84 -0.38 3.43 0.00 -0.88 -2.64 119.26 120.75 3d5m h ALA 88 Ca 0.22 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3d5m h ALA 88 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3d5m h ALA 88 CO -0.02 0.66 0.08 0.00 0.00 0.00 0.00 179.25 179.97 3d5m h LYS 90 N 0.55 0.00 -0.01 0.00 1.79 -0.87 -2.70 116.57 115.33 3d5m h LYS 90 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3d5m h LYS 90 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3d5m h LYS 90 CO -0.00 0.06 -0.07 1.28 -1.08 0.00 0.00 179.45 179.64 3d5m n LEU 91 N -3.17 0.64 -4.68 2.94 4.77 -1.01 -4.86 117.00 111.64 3d5m n LEU 91 Ca 0.01 -0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.43 3d5m n LEU 91 Cb 0.35 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3d5m n LEU 91 CO 0.29 0.11 0.85 -0.89 -1.33 0.00 0.00 177.39 176.42 3d5m s THR 92 N -2.26 4.69 0.36 -5.08 2.01 -1.02 -0.99 115.64 113.34 3d5m s THR 92 Ca 0.35 1.98 -0.29 0.00 0.31 0.00 0.00 61.69 64.04 3d5m s THR 92 Cb 0.21 -4.27 -0.11 0.00 0.01 0.00 0.00 72.50 68.33 3d5m s THR 92 CO 0.42 -0.05 1.51 -2.65 -0.69 0.00 0.00 174.62 173.16 3d5m n PRO 93 N 5.43 2.68 0.29 4.92 -0.02 -1.26 -4.83 135.00 142.21 3d5m n PRO 93 Ca 0.10 0.94 0.18 0.00 -2.02 0.00 0.00 63.50 62.70 3d5m n PRO 93 Cb 0.48 -2.69 0.98 0.00 -0.02 0.00 0.00 33.50 32.25 3d5m n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3d5m h PRO 94 N 3.43 0.00 -0.20 0.52 0.11 -1.95 -1.62 132.00 132.29 3d5m h PRO 94 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3d5m h PRO 94 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3d5m h PRO 94 CO 0.68 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.08 3d5m n HIS 95 N -3.51 0.25 -1.61 0.65 1.44 -1.26 -4.10 115.22 107.07 3d5m n HIS 95 Ca -0.02 -0.15 -0.40 0.00 -2.01 0.00 0.00 57.72 55.15 3d5m n HIS 95 Cb 0.17 -0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.31 3d5m n HIS 95 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3d5m n SER 96 N 1.15 1.04 -4.62 4.39 2.88 -0.61 -4.86 113.62 112.98 3d5m n SER 96 Ca 0.14 0.93 -0.50 0.00 -1.33 0.00 0.00 58.87 58.11 3d5m n SER 96 Cb 0.51 -1.37 -0.05 0.00 -0.75 0.00 0.00 64.21 62.54 3d5m n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d5m n ALA 97 N -1.05 -0.04 -1.39 -1.46 0.00 -1.26 -4.23 120.51 111.07 3d5m n ALA 97 Ca 0.11 0.49 -0.33 0.00 0.00 0.00 0.00 53.44 53.70 3d5m n ALA 97 Cb 0.43 -2.18 0.07 0.00 0.00 0.00 0.00 19.45 17.77 3d5m n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3d5m s LYS 98 N 0.63 2.41 0.58 0.00 -2.85 -1.26 -4.57 119.74 114.68 3d5m s LYS 98 Ca 0.82 1.54 -0.17 0.00 -1.00 0.00 0.00 55.97 57.16 3d5m s LYS 98 Cb -0.84 -1.89 -0.04 0.00 -2.06 0.00 0.00 37.83 33.00 3d5m s LYS 98 CO 0.43 -1.58 1.10 0.45 0.10 0.00 0.00 175.35 175.85 3d5m s SER 99 N -2.39 5.63 0.00 0.03 0.15 -0.17 -4.65 113.70 112.31 3d5m s SER 99 Ca 0.70 2.01 0.28 0.00 0.70 0.00 0.00 55.95 59.64 3d5m s SER 99 Cb -0.24 -2.56 1.52 0.00 -1.71 0.00 0.00 66.02 63.03 3d5m s SER 99 CO 0.44 -1.28 1.98 0.29 1.20 0.00 0.00 173.24 175.87 3d5m n LYS 100 N -1.76 0.62 -1.00 5.44 5.02 -1.26 -3.99 118.16 121.23 3d5m n LYS 100 Ca 0.10 0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.30 3d5m n LYS 100 Cb 0.52 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 34.20 3d5m n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3d5m n PHE 101 N -1.15 1.62 -0.54 2.13 3.72 -1.26 -4.95 117.46 117.03 3d5m n PHE 101 Ca 0.17 -1.79 0.00 0.00 -0.05 0.00 0.00 57.45 55.78 3d5m n PHE 101 Cb 0.16 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 38.09 3d5m n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d5m n GLY 102 N -1.09 0.67 3.31 1.37 0.00 -1.26 -5.02 105.19 103.18 3d5m n GLY 102 Ca 0.40 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3d5m n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d5m s TYR 103 N -2.00 -0.24 0.09 1.61 -0.85 -1.26 -4.98 117.35 109.73 3d5m s TYR 103 Ca 0.00 0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.68 3d5m s TYR 103 Cb 0.00 0.21 -0.00 0.00 0.38 0.00 0.00 41.96 42.55 3d5m s TYR 103 CO 0.00 -0.59 0.00 0.41 -1.52 0.00 0.00 175.55 173.85 3d5m n GLY 104 N 0.36 4.08 0.19 5.49 0.00 -1.26 -1.00 105.19 113.05 3d5m n GLY 104 Ca -0.18 -2.23 -0.08 0.00 0.00 0.00 0.00 46.02 43.53 3d5m n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5m h ALA 105 N 1.05 0.55 -0.80 4.61 0.00 -1.83 -2.24 119.26 120.61 3d5m h ALA 105 Ca -0.08 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3d5m h ALA 105 Cb 0.24 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3d5m h ALA 105 CO 0.13 0.02 0.52 0.87 0.00 0.00 0.00 179.25 180.80 3d5m h LYS 106 N 0.59 0.92 -0.51 0.00 1.57 -1.88 -0.54 116.57 116.73 3d5m h LYS 106 Ca 0.16 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 3d5m h LYS 106 Cb -0.04 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 3d5m h LYS 106 CO -0.03 0.61 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.01 3d5m h ASP 107 N 0.95 0.83 -0.24 0.86 3.32 -1.84 -0.17 116.42 120.12 3d5m h ASP 107 Ca 0.33 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3d5m h ASP 107 Cb 0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3d5m h ASP 107 CO -0.10 0.90 0.03 0.58 -1.72 0.00 0.00 179.24 178.93 3d5m h VAL 108 N 0.79 1.24 -0.48 -1.35 2.07 -0.72 -0.86 116.25 116.94 3d5m h VAL 108 Ca 0.15 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 3d5m h VAL 108 Cb 0.49 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3d5m h VAL 108 CO 0.02 0.25 -0.06 0.03 0.02 0.00 0.00 177.57 177.84 3d5m h ARG 109 N 0.21 0.84 0.00 1.57 3.08 -1.00 -2.53 114.38 116.55 3d5m h ARG 109 Ca 0.07 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3d5m h ARG 109 Cb 0.35 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3d5m h ARG 109 CO 0.01 0.88 0.00 -0.91 -1.07 0.00 0.00 179.97 178.87 3d5m h ASN 110 N 0.76 0.00 -3.06 7.04 2.35 -0.94 -3.47 115.58 118.27 3d5m h ASN 110 Ca 0.14 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.69 3d5m h ASN 110 Cb 0.55 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.97 3d5m h ASN 110 CO 0.03 0.00 -0.32 0.18 -1.65 0.00 0.00 177.43 175.68 3d5m n LEU 111 N -2.91 -2.50 -4.77 1.61 4.77 -0.70 -5.00 117.00 107.50 3d5m n LEU 111 Ca 0.01 -0.22 -0.40 0.00 -0.03 0.00 0.00 56.01 55.37 3d5m n LEU 111 Cb 0.32 -1.71 0.00 0.00 -2.33 0.00 0.00 43.42 39.71 3d5m n LEU 111 CO 0.27 0.26 1.05 -0.94 -1.33 0.00 0.00 177.39 176.70 3d5m s SER 112 N -3.07 6.17 0.36 -1.43 1.04 -0.41 -4.79 113.70 111.58 3d5m s SER 112 Ca 0.24 2.87 0.03 0.00 0.48 0.00 0.00 55.95 59.57 3d5m s SER 112 Cb -0.11 -2.65 0.67 0.00 0.10 0.00 0.00 66.02 64.03 3d5m s SER 112 CO 0.30 -0.97 2.02 0.77 0.98 0.00 0.00 173.24 176.34 3d5m h SER 113 N 2.67 0.69 -0.73 7.02 4.64 -1.94 -1.17 113.55 124.72 3d5m h SER 113 Ca -0.50 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 60.75 3d5m h SER 113 Cb 1.25 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.14 3d5m h SER 113 CO 0.63 0.50 0.28 0.50 -0.87 0.00 0.00 176.83 177.86 3d5m h LYS 114 N 0.81 1.11 0.36 4.77 3.11 -1.96 0.19 116.57 124.96 3d5m h LYS 114 Ca 0.22 -0.20 -0.02 0.00 -2.81 0.00 0.00 60.65 57.84 3d5m h LYS 114 Cb -0.09 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 30.96 3d5m h LYS 114 CO -0.05 0.91 -0.17 0.00 -2.81 0.00 0.00 179.45 177.33 3d5m h ALA 115 N 1.22 -0.48 -0.81 5.00 0.00 -1.64 -2.53 119.26 120.02 3d5m h ALA 115 Ca 0.25 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3d5m h ALA 115 Cb 0.23 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3d5m h ALA 115 CO -0.02 -0.52 0.47 0.28 0.00 0.00 0.00 179.25 179.46 3d5m h VAL 116 N -0.98 0.94 -0.57 0.00 2.07 -1.27 0.22 116.25 116.66 3d5m h VAL 116 Ca -0.05 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 3d5m h VAL 116 Cb 0.52 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3d5m h VAL 116 CO 0.08 0.15 0.01 0.78 0.02 0.00 0.00 177.57 178.61 3d5m h ASN 117 N 0.81 0.95 -0.52 0.57 -0.26 -1.06 -1.74 115.58 114.32 3d5m h ASN 117 Ca 0.38 -0.25 -0.11 0.00 -0.56 0.00 0.00 56.30 55.76 3d5m h ASN 117 Cb 0.30 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.29 3d5m h ASN 117 CO -0.22 1.00 -0.09 -0.74 -1.06 0.00 0.00 177.43 176.31 3d5m h HIS 118 N 0.90 1.10 -0.78 1.19 2.76 -0.91 -2.40 115.15 117.01 3d5m h HIS 118 Ca 0.17 -0.22 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 3d5m h HIS 118 Cb 0.51 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 3d5m h HIS 118 CO 0.03 1.03 0.47 0.82 -1.30 0.00 0.00 177.93 178.97 3d5m h ILE 119 N 0.85 1.22 -0.50 6.26 2.04 -0.78 0.56 117.51 127.17 3d5m h ILE 119 Ca 0.14 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3d5m h ILE 119 Cb 0.65 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3d5m h ILE 119 CO 0.04 0.23 0.26 0.45 0.00 0.00 0.00 178.15 179.13 3d5m h HIS 120 N 1.06 0.67 -0.43 1.37 3.86 -1.30 -0.89 115.15 119.49 3d5m h HIS 120 Ca 0.28 -0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.35 3d5m h HIS 120 Cb -0.03 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 3d5m h HIS 120 CO -0.01 0.48 -0.25 1.03 0.86 0.00 0.00 177.93 180.05 3d5m h SER 121 N 0.69 0.93 -0.13 2.45 0.87 -0.65 -2.11 113.55 115.60 3d5m h SER 121 Ca 0.18 -0.36 -0.16 0.00 -1.23 0.00 0.00 61.79 60.22 3d5m h SER 121 Cb 0.04 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3d5m h SER 121 CO -0.03 1.12 -0.47 0.58 -0.53 0.00 0.00 176.83 177.50 3d5m h VAL 122 N 0.77 1.30 0.42 2.23 2.07 -0.50 -2.61 116.25 119.93 3d5m h VAL 122 Ca 0.10 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 3d5m h VAL 122 Cb 0.80 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3d5m h VAL 122 CO 0.07 0.53 -0.20 -0.25 0.02 0.00 0.00 177.57 177.74 3d5m h TRP 123 N 0.55 -0.52 -0.74 1.57 2.91 -1.11 -0.74 115.95 117.88 3d5m h TRP 123 Ca 0.03 -0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.20 3d5m h TRP 123 Cb 1.03 0.17 -0.11 0.00 -0.51 0.00 0.00 29.16 29.74 3d5m h TRP 123 CO 0.05 -0.25 0.19 -0.22 -1.03 0.00 0.00 178.44 177.18 3d5m h LYS 124 N -0.71 0.27 -0.65 2.65 3.64 -1.45 -0.81 116.57 119.53 3d5m h LYS 124 Ca -0.06 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 3d5m h LYS 124 Cb 0.51 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 3d5m h LYS 124 CO 0.09 0.18 0.21 0.22 -2.27 0.00 0.00 179.45 177.88 3d5m h ASP 125 N 0.28 0.94 -0.89 4.20 3.58 -1.26 -1.13 116.42 122.14 3d5m h ASP 125 Ca 0.42 -0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.68 3d5m h ASP 125 Cb 0.70 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.46 3d5m h ASP 125 CO -0.50 0.89 0.59 -0.07 -2.88 0.00 0.00 179.24 177.27 3d5m h LEU 126 N 0.93 1.00 -0.54 2.28 3.38 -0.00 -1.26 115.31 121.10 3d5m h LEU 126 Ca 0.21 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 3d5m h LEU 126 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3d5m h LEU 126 CO -0.01 0.71 -0.56 -0.07 0.09 0.00 0.00 178.44 178.60 3d5m h LEU 127 N 1.17 0.56 -0.02 1.67 3.38 -0.67 -3.30 115.31 118.10 3d5m h LEU 127 Ca 0.33 -0.30 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 3d5m h LEU 127 Cb -0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3d5m h LEU 127 CO -0.08 1.00 -1.00 -0.33 0.09 0.00 0.00 178.44 178.11 3d5m h GLU 128 N 0.38 0.02 -4.34 1.13 5.08 -1.00 -3.45 114.58 112.39 3d5m h GLU 128 Ca 0.00 -0.04 -0.55 0.00 -1.00 0.00 0.00 59.36 57.78 3d5m h GLU 128 Cb 1.10 0.01 -0.37 0.00 0.50 0.00 0.00 28.75 29.99 3d5m h GLU 128 CO 0.10 1.00 -0.81 0.34 -1.00 0.00 0.00 179.01 178.65 3d5m s ASP 129 N -6.75 2.40 -0.09 1.42 -1.08 -0.49 -5.00 116.67 107.08 3d5m s ASP 129 Ca 0.01 -0.40 0.13 0.00 -0.52 0.00 0.00 52.55 51.77 3d5m s ASP 129 Cb 0.10 -0.95 0.34 0.00 -1.46 0.00 0.00 42.92 40.95 3d5m s ASP 129 CO 0.82 -0.11 1.26 0.35 0.52 0.00 0.00 175.17 178.01 3d5m n THR 130 N 4.89 1.67 0.00 1.71 -2.24 -1.26 -4.59 114.28 114.45 3d5m n THR 130 Ca -0.14 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 3d5m n THR 130 Cb 0.50 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3d5m n THR 130 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3d5m n VAL 131 N -0.44 0.00 -2.16 2.28 0.24 -1.26 -4.64 118.33 112.35 3d5m n VAL 131 Ca 0.14 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.02 3d5m n VAL 131 Cb 0.62 -0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 32.39 3d5m n VAL 131 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3d5m s THR 132 N -1.82 3.75 0.20 3.34 2.01 -1.26 -4.74 115.64 117.12 3d5m s THR 132 Ca 0.00 0.84 -0.32 0.00 0.31 0.00 0.00 61.69 62.52 3d5m s THR 132 Cb 0.00 -3.79 -0.14 0.00 0.01 0.00 0.00 72.50 68.58 3d5m s THR 132 CO 0.00 -0.35 1.36 -2.65 -0.69 0.00 0.00 174.62 172.30 3d5m n PRO 133 N 7.67 1.77 -3.11 4.92 -0.02 -1.26 -4.73 135.00 140.24 3d5m n PRO 133 Ca 0.18 0.63 -0.39 0.00 -2.02 0.00 0.00 63.50 61.90 3d5m n PRO 133 Cb 0.46 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3d5m n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3d5m s ILE 134 N 0.07 4.72 0.40 4.25 1.01 0.24 -4.94 121.20 126.94 3d5m s ILE 134 Ca 0.72 1.44 -0.27 0.00 0.00 0.00 0.00 60.65 62.55 3d5m s ILE 134 Cb -0.72 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 37.63 3d5m s ILE 134 CO 0.48 0.45 1.34 -0.62 0.00 0.00 0.00 174.94 176.60 3d5m s ASP 135 N -0.53 6.33 0.13 3.58 2.15 -1.26 -4.37 116.67 122.71 3d5m s ASP 135 Ca 0.34 2.74 0.05 0.00 0.43 0.00 0.00 52.55 56.11 3d5m s ASP 135 Cb -0.20 -2.65 -0.04 0.00 -0.30 0.00 0.00 42.92 39.73 3d5m s ASP 135 CO 0.21 -0.84 -0.12 0.42 -0.17 0.00 0.00 175.17 174.67 3d5m s THR 136 N -1.22 1.22 -0.16 1.71 -4.23 -1.16 -4.30 115.64 107.50 3d5m s THR 136 Ca 0.56 -1.86 -0.08 0.00 -1.18 0.00 0.00 61.69 59.12 3d5m s THR 136 Cb -0.40 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 3d5m s THR 136 CO 0.52 -0.58 0.11 -0.89 -0.54 0.00 0.00 174.62 173.24 3d5m s THR 137 N -2.70 5.21 -0.21 3.99 2.01 0.95 -1.25 115.64 123.64 3d5m s THR 137 Ca 0.12 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.15 3d5m s THR 137 Cb -0.01 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3d5m s THR 137 CO 0.02 0.51 0.07 -0.51 -0.69 0.00 0.00 174.62 174.02 3d5m s ILE 138 N -0.13 4.65 0.14 1.82 2.07 -0.28 -1.71 121.20 127.76 3d5m s ILE 138 Ca 0.09 -0.07 0.08 0.00 -1.41 0.00 0.00 60.65 59.33 3d5m s ILE 138 Cb -0.12 -3.13 -0.04 0.00 0.13 0.00 0.00 42.46 39.31 3d5m s ILE 138 CO 0.01 0.40 -0.17 -0.04 -1.91 0.00 0.00 174.94 173.22 3d5m s MET 139 N 0.90 1.16 0.00 3.50 -1.94 -0.23 -4.36 119.30 118.33 3d5m s MET 139 Ca 0.04 -1.30 -0.19 0.00 -1.71 0.00 0.00 55.69 52.53 3d5m s MET 139 Cb -0.14 -1.19 -0.06 0.00 2.01 0.00 0.00 34.83 35.46 3d5m s MET 139 CO 0.03 0.25 0.54 0.00 -0.01 0.00 0.00 175.02 175.83 3d5m s ALA 140 N -1.90 3.55 0.12 3.03 0.00 -1.26 -0.87 121.76 124.43 3d5m s ALA 140 Ca 0.11 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.78 3d5m s ALA 140 Cb -0.06 -2.65 -0.07 0.00 0.00 0.00 0.00 23.12 20.34 3d5m s ALA 140 CO 0.05 0.26 0.82 0.21 0.00 0.00 0.00 175.76 177.09 3d5m s LYS 141 N -0.47 4.59 -0.49 0.00 2.20 0.71 -4.77 119.74 121.51 3d5m s LYS 141 Ca 0.29 1.20 -0.16 0.00 -0.36 0.00 0.00 55.97 56.94 3d5m s LYS 141 Cb -0.18 -3.31 0.08 0.00 -1.51 0.00 0.00 37.83 32.91 3d5m s LYS 141 CO 0.16 0.42 0.43 -0.80 -0.36 0.00 0.00 175.35 175.20 3d5m s ASN 142 N -0.62 6.16 0.06 1.43 0.01 -1.26 -4.29 114.94 116.44 3d5m s ASN 142 Ca 0.39 -1.37 0.07 0.00 -0.71 0.00 0.00 52.86 51.25 3d5m s ASN 142 Cb -0.23 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.21 3d5m s ASN 142 CO 0.26 -0.70 -0.20 -1.61 -1.51 0.00 0.00 177.10 173.34 3d5m s GLU 143 N 1.71 1.24 -0.13 -0.60 2.02 -1.26 -4.88 118.70 116.80 3d5m s GLU 143 Ca 0.05 -1.00 -0.11 0.00 0.02 0.00 0.00 54.97 53.93 3d5m s GLU 143 Cb -0.25 -1.39 -0.05 0.00 0.10 0.00 0.00 34.13 32.54 3d5m s GLU 143 CO 0.06 0.34 0.22 0.08 0.02 0.00 0.00 175.26 175.98 3d5m s VAL 144 N -0.95 5.36 0.27 2.63 1.01 -1.26 -1.34 120.40 126.13 3d5m s VAL 144 Ca 0.06 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.46 3d5m s VAL 144 Cb -0.09 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3d5m s VAL 144 CO 0.03 0.52 0.19 -0.36 0.00 0.00 0.00 175.10 175.48 3d5m s PHE 145 N -0.36 1.46 -0.10 5.22 0.08 -0.17 -4.75 117.98 119.36 3d5m s PHE 145 Ca 0.15 -1.50 -0.04 0.00 0.12 0.00 0.00 56.93 55.67 3d5m s PHE 145 Cb -0.13 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.63 3d5m s PHE 145 CO 0.04 -0.72 0.05 0.00 -0.10 0.00 0.00 175.22 174.49 3d5m n VAL 147 N 2.07 0.03 0.00 0.00 0.31 0.97 -4.98 118.33 116.73 3d5m n VAL 147 Ca -0.19 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3d5m n VAL 147 Cb 0.54 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 3d5m n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d5m n GLN 148 N 2.75 0.98 -4.10 5.55 6.02 -1.26 -5.07 117.38 122.25 3d5m n GLN 148 Ca 0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.84 3d5m n GLN 148 Cb 0.18 -0.74 -0.10 0.00 1.02 0.00 0.00 30.24 30.60 3d5m n GLN 148 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3d5m s ARG 154 N -1.48 3.78 0.19 -1.09 0.52 -1.26 -5.30 118.95 114.31 3d5m s ARG 154 Ca 0.00 -0.37 -0.30 0.00 -0.52 0.00 0.00 55.73 54.55 3d5m s ARG 154 Cb 0.00 -3.11 -0.08 0.00 0.52 0.00 0.00 34.95 32.28 3d5m s ARG 154 CO 0.00 0.35 1.06 0.15 0.02 0.00 0.00 175.30 176.88 3d5m s LYS 155 N 0.13 4.65 0.60 3.54 1.02 -1.26 -5.05 119.74 123.36 3d5m s LYS 155 Ca 0.04 1.66 -0.15 0.00 0.02 0.00 0.00 55.97 57.54 3d5m s LYS 155 Cb -0.12 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 3d5m s LYS 155 CO 0.01 0.17 1.05 -2.14 -0.92 0.00 0.00 175.35 173.52 3d5m s PRO 156 N -0.58 3.36 0.27 -1.68 0.02 -1.26 -4.81 135.00 130.32 3d5m s PRO 156 Ca 0.47 1.11 -0.30 0.00 0.02 0.00 0.00 61.00 62.30 3d5m s PRO 156 Cb -0.28 -2.04 -0.13 0.00 0.02 0.00 0.00 34.50 32.06 3d5m s PRO 156 CO 0.35 -0.77 1.32 0.00 -0.33 0.00 0.00 177.00 177.58 3d5m n ALA 157 N -2.16 0.94 -1.59 -1.55 0.00 -1.26 -4.95 120.51 109.94 3d5m n ALA 157 Ca 0.08 0.40 -0.35 0.00 0.00 0.00 0.00 53.44 53.57 3d5m n ALA 157 Cb 0.53 -2.23 0.05 0.00 0.00 0.00 0.00 19.45 17.80 3d5m n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3d5m s ARG 158 N -0.92 2.78 -0.19 0.00 0.52 -1.26 -4.69 118.95 115.20 3d5m s ARG 158 Ca 0.64 1.64 -0.11 0.00 -0.52 0.00 0.00 55.73 57.39 3d5m s ARG 158 Cb -0.64 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 32.85 3d5m s ARG 158 CO 0.54 -1.31 0.16 -0.51 0.02 0.00 0.00 175.30 174.21 3d5m s LEU 159 N -4.52 4.22 -0.18 2.53 1.43 -1.26 -0.21 118.68 120.69 3d5m s LEU 159 Ca 0.73 0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 54.08 3d5m s LEU 159 Cb -0.26 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 3d5m s LEU 159 CO 0.37 0.16 -0.03 -0.51 0.23 0.00 0.00 176.35 176.58 3d5m s ILE 160 N 0.37 3.80 -0.14 -0.59 1.10 -0.05 -4.80 121.20 120.89 3d5m s ILE 160 Ca 0.10 -0.38 0.02 0.00 -0.51 0.00 0.00 60.65 59.88 3d5m s ILE 160 Cb -0.11 -2.69 0.01 0.00 0.15 0.00 0.00 42.46 39.82 3d5m s ILE 160 CO -0.01 0.46 -0.22 -0.69 -2.11 0.00 0.00 174.94 172.38 3d5m s VAL 161 N 0.77 2.09 -0.10 4.00 1.01 -1.26 -1.07 120.40 125.84 3d5m s VAL 161 Ca -0.01 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 3d5m s VAL 161 Cb -0.14 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.44 3d5m s VAL 161 CO 0.02 0.55 0.43 0.72 0.00 0.00 0.00 175.10 176.82 3d5m s PHE 162 N 0.85 -0.40 0.71 5.22 -0.71 -0.69 -0.17 117.98 122.79 3d5m s PHE 162 Ca -0.06 0.85 -0.05 0.00 -1.04 0.00 0.00 56.93 56.63 3d5m s PHE 162 Cb -0.15 0.18 0.09 0.00 -1.21 0.00 0.00 43.02 41.92 3d5m s PHE 162 CO -0.03 -0.35 1.00 -1.25 -1.34 0.00 0.00 175.22 173.26 3d5m s PRO 163 N -0.54 1.95 0.58 1.99 0.04 -1.26 -0.04 135.00 137.72 3d5m s PRO 163 Ca -0.07 -0.59 -0.20 0.00 0.04 0.00 0.00 61.00 60.18 3d5m s PRO 163 Cb -0.03 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3d5m s PRO 163 CO 0.03 -1.33 1.29 0.34 0.04 0.00 0.00 177.00 177.37 3d5m s ASP 164 N -4.60 5.15 0.34 6.66 2.15 -1.26 -4.71 116.67 120.39 3d5m s ASP 164 Ca 0.63 2.60 0.14 0.00 0.43 0.00 0.00 52.55 56.34 3d5m s ASP 164 Cb -0.08 -2.62 1.08 0.00 -0.30 0.00 0.00 42.92 41.00 3d5m s ASP 164 CO 0.44 -1.64 1.64 0.25 -0.17 0.00 0.00 175.17 175.69 3d5m h LEU 165 N 1.12 0.35 -0.33 -1.34 5.85 -1.82 0.70 115.31 119.84 3d5m h LEU 165 Ca -0.51 0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.46 3d5m h LEU 165 Cb 1.31 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.50 3d5m h LEU 165 CO 0.56 -0.22 0.13 1.23 -0.34 0.00 0.00 178.44 179.80 3d5m h GLY 166 N 0.22 0.42 1.02 3.75 0.00 -1.95 -1.90 103.07 104.64 3d5m h GLY 166 Ca 0.73 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.95 3d5m h GLY 166 CO -0.67 0.05 0.36 -2.08 0.00 0.00 0.00 176.54 174.20 3d5m h VAL 167 N 0.28 1.24 -0.93 4.60 2.07 -1.24 -2.56 116.25 119.71 3d5m h VAL 167 Ca 0.15 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3d5m h VAL 167 Cb 0.10 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 3d5m h VAL 167 CO -0.14 0.29 0.56 0.03 0.02 0.00 0.00 177.57 178.34 3d5m h ARG 168 N 1.07 1.27 -0.65 1.57 3.08 -0.79 0.68 114.38 120.61 3d5m h ARG 168 Ca 0.26 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3d5m h ARG 168 Cb 0.13 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3d5m h ARG 168 CO -0.03 0.89 0.29 0.28 -1.07 0.00 0.00 179.97 180.33 3d5m h VAL 169 N 1.29 1.23 -0.78 2.04 2.07 -1.19 -2.70 116.25 118.21 3d5m h VAL 169 Ca 0.34 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3d5m h VAL 169 Cb -0.05 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 3d5m h VAL 169 CO -0.06 0.27 0.36 0.00 0.02 0.00 0.00 177.57 178.16 3d5m h GLU 171 N 1.11 0.45 -0.49 0.00 5.08 -0.71 -0.89 114.58 119.13 3d5m h GLU 171 Ca 0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3d5m h GLU 171 Cb 0.14 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3d5m h GLU 171 CO -0.03 0.30 0.31 0.87 -1.00 0.00 0.00 179.01 179.46 3d5m h LYS 172 N 0.46 0.65 -0.42 2.33 1.57 -1.13 0.29 116.57 120.32 3d5m h LYS 172 Ca 0.33 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 3d5m h LYS 172 Cb 0.40 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 3d5m h LYS 172 CO -0.31 0.44 0.21 0.52 -0.57 0.00 0.00 179.45 179.75 3d5m h MET 173 N 0.66 0.41 0.02 3.15 2.86 -0.73 -1.72 114.93 119.58 3d5m h MET 173 Ca 0.18 -0.02 -0.24 0.00 -2.06 0.00 0.00 59.70 57.56 3d5m h MET 173 Cb -0.05 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.52 3d5m h MET 173 CO -0.04 0.27 -0.99 0.00 1.06 0.00 0.00 176.91 177.22 3d5m h ALA 174 N 1.22 0.31 0.00 6.32 0.00 -0.96 -1.81 119.26 124.34 3d5m h ALA 174 Ca 0.18 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3d5m h ALA 174 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3d5m h ALA 174 CO -0.13 0.82 0.00 1.28 0.00 0.00 0.00 179.25 181.22 3d5m n LEU 175 N -3.73 0.19 -0.20 0.00 4.77 0.10 -4.77 117.00 113.36 3d5m n LEU 175 Ca -0.07 -0.32 -0.05 0.00 -0.03 0.00 0.00 56.01 55.54 3d5m n LEU 175 Cb 0.86 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.01 3d5m n LEU 175 CO 0.52 0.05 1.09 0.22 -1.33 0.00 0.00 177.39 177.94 3d5m h TYR 176 N 0.00 0.66 -0.53 -1.77 3.20 -1.39 -0.41 116.97 116.73 3d5m h TYR 176 Ca 0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 3d5m h TYR 176 Cb 0.12 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 3d5m h TYR 176 CO 0.00 0.37 -0.04 0.22 -1.64 0.00 0.00 178.16 177.07 3d5m h ASP 177 N 0.69 0.95 0.57 -2.11 3.58 -1.79 -1.74 116.42 116.58 3d5m h ASP 177 Ca 0.24 -0.32 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 3d5m h ASP 177 Cb 0.03 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.83 3d5m h ASP 177 CO -0.10 1.05 -0.30 0.58 -2.88 0.00 0.00 179.24 177.59 3d5m h VAL 178 N 0.84 0.39 0.00 2.25 2.07 -1.76 -2.07 116.25 117.96 3d5m h VAL 178 Ca 0.15 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 3d5m h VAL 178 Cb 0.58 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3d5m h VAL 178 CO 0.03 0.00 -0.22 -0.37 0.02 0.00 0.00 177.57 177.03 3d5m h VAL 179 N -0.80 0.82 0.00 2.57 -1.51 -1.10 0.44 116.25 116.67 3d5m h VAL 179 Ca -0.07 -0.88 -0.03 0.00 -1.23 0.00 0.00 66.70 64.49 3d5m h VAL 179 Cb 0.63 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 31.31 3d5m h VAL 179 CO 0.11 0.22 -0.12 0.28 -1.23 0.00 0.00 177.57 176.83 3d5m h SER 180 N 0.00 0.00 0.00 4.19 0.02 -1.19 -3.41 113.55 113.15 3d5m h SER 180 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3d5m h SER 180 Cb 0.51 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 3d5m h SER 180 CO 0.03 0.12 -1.03 0.41 -1.14 0.00 0.00 176.83 175.22 3d5m n THR 181 N -3.17 0.03 -0.03 -2.27 -1.04 -0.57 -4.71 114.28 102.51 3d5m n THR 181 Ca 0.02 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 61.91 3d5m n THR 181 Cb 0.49 -0.61 -0.05 0.00 -1.82 0.00 0.00 70.33 68.34 3d5m n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3d5m h LEU 182 N -0.00 0.19 -0.75 -4.42 5.85 -0.37 -3.27 115.31 112.54 3d5m h LEU 182 Ca -0.01 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.66 3d5m h LEU 182 Cb 1.02 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 3d5m h LEU 182 CO -0.00 0.23 0.46 -0.65 -0.34 0.00 0.00 178.44 178.13 3d5m h PRO 183 N 0.13 0.84 -0.72 5.25 0.11 -1.80 -0.22 132.00 135.58 3d5m h PRO 183 Ca 0.05 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 3d5m h PRO 183 Cb 0.09 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 30.98 3d5m h PRO 183 CO -0.01 0.56 0.23 0.37 -0.21 0.00 0.00 178.00 178.93 3d5m h GLN 184 N 0.87 1.11 -0.29 1.05 -0.00 -1.87 0.97 115.11 116.95 3d5m h GLN 184 Ca 0.32 -0.23 -0.02 0.00 -0.00 0.00 0.00 58.65 58.71 3d5m h GLN 184 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.40 3d5m h GLN 184 CO -0.14 0.94 0.09 0.28 0.00 0.00 0.00 178.83 180.01 3d5m h VAL 185 N 1.07 1.20 -0.21 2.39 2.07 -1.35 0.29 116.25 121.71 3d5m h VAL 185 Ca 0.23 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3d5m h VAL 185 Cb 0.30 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3d5m h VAL 185 CO -0.01 0.21 -0.03 0.58 0.02 0.00 0.00 177.57 178.34 3d5m h VAL 186 N 0.30 1.28 -0.00 2.57 2.07 -0.78 -3.35 116.25 118.34 3d5m h VAL 186 Ca 0.09 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3d5m h VAL 186 Cb 0.23 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3d5m h VAL 186 CO -0.00 0.30 -0.55 0.23 0.02 0.00 0.00 177.57 177.57 3d5m n MET 187 N -4.64 1.94 0.00 1.57 2.81 0.31 -4.92 117.12 114.19 3d5m n MET 187 Ca -0.04 -0.32 0.00 0.00 -1.81 0.00 0.00 57.70 55.53 3d5m n MET 187 Cb 0.26 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 3d5m n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d5m n GLY 188 N 1.26 3.33 0.00 3.03 0.00 0.10 -1.73 105.19 111.18 3d5m n GLY 188 Ca 0.04 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.03 3d5m n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d5m n SER 189 N 3.79 0.00 0.14 1.61 3.41 -1.26 -2.16 113.62 119.15 3d5m n SER 189 Ca 0.00 0.42 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 3d5m n SER 189 Cb 0.00 -0.46 0.42 0.00 -0.26 0.00 0.00 64.21 63.91 3d5m n SER 189 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3d5m h SER 190 N 0.00 0.00 -3.25 4.04 0.02 -1.51 -3.43 113.55 109.42 3d5m h SER 190 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 3d5m h SER 190 Cb 0.24 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.71 3d5m h SER 190 CO 0.00 0.00 0.99 -0.47 -1.14 0.00 0.00 176.83 176.21 3d5m s TYR 191 N -3.23 2.60 0.07 3.45 5.04 -0.92 -0.94 117.35 123.43 3d5m s TYR 191 Ca 0.07 0.48 0.21 0.00 -2.44 0.00 0.00 57.07 55.39 3d5m s TYR 191 Cb 0.10 -4.49 0.68 0.00 0.35 0.00 0.00 41.96 38.61 3d5m s TYR 191 CO 0.54 -1.59 1.72 0.78 -1.34 0.00 0.00 175.55 175.67 3d5m h GLY 192 N 11.94 0.00 1.14 8.97 0.00 -1.23 -3.22 103.07 120.67 3d5m h GLY 192 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3d5m h GLY 192 CO 1.17 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.40 3d5m n PHE 193 N -3.39 0.00 0.81 5.60 3.72 -1.26 -2.39 117.46 120.55 3d5m n PHE 193 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 3d5m n PHE 193 Cb 0.51 -0.07 0.40 0.00 -0.94 0.00 0.00 39.48 39.38 3d5m n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3d5m n GLN 194 N -1.07 0.13 -3.70 -1.08 10.64 -1.22 -3.39 117.38 117.70 3d5m n GLN 194 Ca 0.17 0.08 -0.37 0.00 -1.83 0.00 0.00 57.00 55.05 3d5m n GLN 194 Cb 0.11 -1.62 -0.07 0.00 -0.86 0.00 0.00 30.24 27.80 3d5m n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3d5m s TYR 195 N -3.06 3.54 0.90 2.61 2.02 -1.01 -4.61 117.35 117.75 3d5m s TYR 195 Ca 0.11 0.57 -0.12 0.00 -0.37 0.00 0.00 57.07 57.26 3d5m s TYR 195 Cb 0.16 -2.15 0.13 0.00 -0.40 0.00 0.00 41.96 39.70 3d5m s TYR 195 CO 0.62 0.49 1.12 -1.54 -1.57 0.00 0.00 175.55 174.68 3d5m s SER 196 N -0.33 3.60 0.26 2.29 1.04 -1.26 -4.77 113.70 114.53 3d5m s SER 196 Ca 0.15 1.07 -0.03 0.00 0.48 0.00 0.00 55.95 57.62 3d5m s SER 196 Cb -0.13 -1.69 0.37 0.00 0.10 0.00 0.00 66.02 64.67 3d5m s SER 196 CO 0.04 -2.51 1.90 -0.65 0.98 0.00 0.00 173.24 173.00 3d5m h PRO 197 N -1.47 1.19 -0.78 4.02 0.11 -1.91 -0.25 132.00 132.92 3d5m h PRO 197 Ca -0.50 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 65.56 3d5m h PRO 197 Cb 1.32 -0.27 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 3d5m h PRO 197 CO 0.61 0.79 0.50 0.78 -0.21 0.00 0.00 178.00 180.46 3d5m h GLY 198 N 1.23 1.13 1.57 -0.55 0.00 -1.71 -1.69 103.07 103.04 3d5m h GLY 198 Ca 0.41 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 47.20 3d5m h GLY 198 CO -0.14 0.33 -0.58 1.46 0.00 0.00 0.00 176.54 177.61 3d5m h GLN 199 N 0.98 0.45 -0.28 4.80 4.20 -1.63 -2.67 115.11 120.96 3d5m h GLN 199 Ca 0.31 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3d5m h GLN 199 Cb -0.01 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3d5m h GLN 199 CO -0.11 0.90 -0.12 -0.09 -0.67 0.00 0.00 178.83 178.74 3d5m h ARG 200 N 0.34 0.57 -0.34 1.46 2.43 -0.72 -1.80 114.38 116.32 3d5m h ARG 200 Ca 0.00 -0.25 -0.11 0.00 -0.81 0.00 0.00 59.98 58.81 3d5m h ARG 200 Cb 1.11 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3d5m h ARG 200 CO 0.10 0.81 -0.25 -0.24 -1.51 0.00 0.00 179.97 178.88 3d5m h VAL 201 N 0.31 1.27 -0.37 0.20 3.04 -1.37 -1.32 116.25 118.01 3d5m h VAL 201 Ca 0.06 -1.35 -0.02 0.00 -1.01 0.00 0.00 66.70 64.38 3d5m h VAL 201 Cb 0.63 1.29 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 3d5m h VAL 201 CO 0.04 0.44 0.14 -0.08 -1.01 0.00 0.00 177.57 177.10 3d5m h GLU 202 N 0.59 0.55 -0.58 4.17 4.81 -1.44 -1.21 114.58 121.47 3d5m h GLU 202 Ca 0.08 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3d5m h GLU 202 Cb 0.74 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3d5m h GLU 202 CO 0.06 0.54 0.30 0.35 -0.73 0.00 0.00 179.01 179.53 3d5m h PHE 203 N 0.45 0.82 -0.27 0.92 3.57 -1.18 0.23 116.94 121.47 3d5m h PHE 203 Ca 0.12 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3d5m h PHE 203 Cb 0.20 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3d5m h PHE 203 CO 0.00 0.62 0.09 -0.07 -2.23 0.00 0.00 178.31 176.72 3d5m h LEU 204 N 0.79 0.40 0.06 0.59 3.38 -1.11 0.31 115.31 119.72 3d5m h LEU 204 Ca 0.20 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d5m h LEU 204 Cb 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3d5m h LEU 204 CO -0.03 0.49 -0.03 0.58 0.09 0.00 0.00 178.44 179.54 3d5m h VAL 205 N 0.28 1.11 -0.42 1.22 2.07 -1.11 0.81 116.25 120.22 3d5m h VAL 205 Ca 0.09 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 67.06 3d5m h VAL 205 Cb 0.23 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 3d5m h VAL 205 CO -0.00 0.15 0.16 0.78 0.02 0.00 0.00 177.57 178.68 3d5m h ASN 206 N -0.35 0.19 -0.53 0.57 2.35 -0.54 0.10 115.58 117.37 3d5m h ASN 206 Ca -0.01 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3d5m h ASN 206 Cb 0.31 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 3d5m h ASN 206 CO 0.01 0.14 0.34 0.74 -1.65 0.00 0.00 177.43 177.01 3d5m h THR 207 N 0.34 1.09 -0.53 2.81 2.02 -0.87 0.11 112.91 117.88 3d5m h THR 207 Ca 0.19 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.17 3d5m h THR 207 Cb 0.17 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 3d5m h THR 207 CO -0.19 0.12 0.31 -0.25 0.37 0.00 0.00 175.52 175.89 3d5m h TRP 208 N 0.67 0.59 0.00 3.16 2.91 -0.01 -2.67 115.95 120.60 3d5m h TRP 208 Ca 0.20 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.18 3d5m h TRP 208 Cb -0.03 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.43 3d5m h TRP 208 CO -0.05 0.33 -0.32 0.87 -1.03 0.00 0.00 178.44 178.24 3d5m h LYS 209 N 0.62 0.00 0.00 2.65 1.57 -0.42 -2.95 116.57 118.04 3d5m h LYS 209 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3d5m h LYS 209 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3d5m h LYS 209 CO -0.10 0.32 0.00 -1.13 -0.57 0.00 0.00 179.45 177.97 3d5m n SER 210 N -3.50 0.50 -4.78 0.86 3.41 0.35 -4.65 113.62 105.80 3d5m n SER 210 Ca -0.00 0.66 -0.37 0.00 -0.26 0.00 0.00 58.87 58.90 3d5m n SER 210 Cb 0.48 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 3d5m n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3d5m s LYS 211 N -3.32 4.04 0.07 4.33 -0.14 -1.12 -5.01 119.74 118.58 3d5m s LYS 211 Ca 0.02 0.18 -0.34 0.00 -1.36 0.00 0.00 55.97 54.47 3d5m s LYS 211 Cb 0.08 -3.33 -0.20 0.00 -1.68 0.00 0.00 37.83 32.70 3d5m s LYS 211 CO 0.29 0.45 1.60 0.87 -0.76 0.00 0.00 175.35 177.80 3d5m h LYS 212 N 5.83 -1.01 -4.63 1.68 1.57 -1.88 -3.37 116.57 114.77 3d5m h LYS 212 Ca -0.46 0.07 -0.65 0.00 -1.87 0.00 0.00 60.65 57.73 3d5m h LYS 212 Cb 1.19 0.23 -0.40 0.00 0.08 0.00 0.00 32.23 33.34 3d5m h LYS 212 CO 0.69 -0.67 -0.74 -0.80 -0.57 0.00 0.00 179.45 177.36 3d5m s ASN 213 N -4.28 4.64 0.16 0.86 -0.87 -1.26 -5.08 114.94 109.12 3d5m s ASN 213 Ca -0.18 -1.98 -0.27 0.00 -1.57 0.00 0.00 52.86 48.86 3d5m s ASN 213 Cb 0.03 -1.55 -0.08 0.00 -0.02 0.00 0.00 41.25 39.63 3d5m s ASN 213 CO 0.61 -0.35 0.83 -2.16 -2.57 0.00 0.00 177.10 173.46 3d5m s PRO 214 N 0.99 4.63 -0.00 -0.60 0.04 -1.26 0.61 135.00 139.41 3d5m s PRO 214 Ca 0.07 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.39 3d5m s PRO 214 Cb -0.19 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 3d5m s PRO 214 CO -0.09 0.48 -0.11 1.41 0.04 0.00 0.00 177.00 178.74 3d5m s MET 215 N -0.88 0.87 0.05 4.56 1.75 -0.53 -4.70 119.30 120.42 3d5m s MET 215 Ca 0.38 -0.44 -0.00 0.00 -1.25 0.00 0.00 55.69 54.38 3d5m s MET 215 Cb -0.23 -0.84 -0.04 0.00 2.84 0.00 0.00 34.83 36.56 3d5m s MET 215 CO 0.27 0.23 -0.04 0.20 -0.65 0.00 0.00 175.02 175.03 3d5m s GLY 216 N -0.40 0.46 -0.12 2.11 0.00 -0.42 -0.24 107.32 108.71 3d5m s GLY 216 Ca 0.03 -1.07 -0.20 0.00 0.00 0.00 0.00 44.72 43.48 3d5m s GLY 216 CO -0.00 -1.16 0.50 -0.11 0.00 0.00 0.00 173.10 172.33 3d5m s PHE 217 N -3.21 -0.49 0.24 1.90 -0.71 -0.04 0.09 117.98 115.76 3d5m s PHE 217 Ca 0.02 1.05 -0.10 0.00 -1.04 0.00 0.00 56.93 56.85 3d5m s PHE 217 Cb 0.03 0.22 -0.07 0.00 -1.21 0.00 0.00 43.02 41.98 3d5m s PHE 217 CO -0.07 -0.38 0.58 -1.54 -1.34 0.00 0.00 175.22 172.47 3d5m s SER 218 N -0.48 6.64 -0.21 1.98 1.04 -1.26 -0.78 113.70 120.64 3d5m s SER 218 Ca -0.06 0.97 0.01 0.00 0.48 0.00 0.00 55.95 57.35 3d5m s SER 218 Cb -0.03 -2.25 0.04 0.00 0.10 0.00 0.00 66.02 63.88 3d5m s SER 218 CO 0.04 -0.10 -0.13 -0.47 0.98 0.00 0.00 173.24 173.57 3d5m s TYR 219 N -1.85 2.67 -0.48 5.02 5.04 -0.16 -4.67 117.35 122.93 3d5m s TYR 219 Ca 0.48 -1.76 -0.17 0.00 -2.44 0.00 0.00 57.07 53.19 3d5m s TYR 219 Cb -0.11 -1.76 0.06 0.00 0.35 0.00 0.00 41.96 40.50 3d5m s TYR 219 CO 0.21 -0.79 0.46 0.34 -1.34 0.00 0.00 175.55 174.44 3d5m s ASP 220 N 1.31 6.17 0.19 4.32 2.15 -1.26 -4.11 116.67 125.44 3d5m s ASP 220 Ca -0.01 -1.14 -0.30 0.00 0.43 0.00 0.00 52.55 51.52 3d5m s ASP 220 Cb -0.16 -2.22 -0.08 0.00 -0.30 0.00 0.00 42.92 40.16 3d5m s ASP 220 CO -0.09 -0.71 1.13 -0.89 -0.17 0.00 0.00 175.17 174.44 3d5m s THR 221 N 1.97 3.76 -0.43 1.71 2.01 -1.26 -0.10 115.64 123.30 3d5m s THR 221 Ca 0.08 1.53 -0.28 0.00 0.31 0.00 0.00 61.69 63.32 3d5m s THR 221 Cb -0.22 -3.97 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 3d5m s THR 221 CO 0.09 0.26 1.59 -0.60 -0.69 0.00 0.00 174.62 175.27 3d5m s ARG 222 N -0.40 3.35 -1.08 4.92 3.52 -0.22 -4.01 118.95 125.03 3d5m s ARG 222 Ca 0.50 0.98 -0.12 0.00 -0.13 0.00 0.00 55.73 56.96 3d5m s ARG 222 Cb -0.30 -4.14 -0.04 0.00 -1.56 0.00 0.00 34.95 28.91 3d5m s ARG 222 CO 0.36 -1.85 0.86 0.00 -0.81 0.00 0.00 175.30 173.86 3d5m h PHE 224 N -1.39 -0.33 -1.01 0.00 3.04 -1.96 -0.82 116.94 114.48 3d5m h PHE 224 Ca -0.62 0.06 0.18 0.00 3.98 0.00 0.00 57.97 61.57 3d5m h PHE 224 Cb 1.32 0.25 -0.10 0.00 2.56 0.00 0.00 35.95 39.98 3d5m h PHE 224 CO 0.31 -0.28 0.62 -0.44 -2.02 0.00 0.00 178.31 176.50 3d5m h ASP 225 N 0.01 0.82 0.86 0.41 3.32 -1.91 0.50 116.42 120.43 3d5m h ASP 225 Ca 0.32 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.41 3d5m h ASP 225 Cb 0.50 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3d5m h ASP 225 CO -0.68 0.32 -0.26 0.28 -1.72 0.00 0.00 179.24 177.18 3d5m h SER 226 N 0.81 0.00 1.36 6.45 0.02 -1.45 -2.40 113.55 118.34 3d5m h SER 226 Ca 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 3d5m h SER 226 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 3d5m h SER 226 CO -0.36 0.26 -0.27 0.71 -1.14 0.00 0.00 176.83 176.02 3d5m h THR 227 N 0.00 0.00 -2.73 -2.27 1.35 -0.70 -3.44 112.91 105.12 3d5m h THR 227 Ca -0.00 -0.63 -0.56 0.00 -0.55 0.00 0.00 66.41 64.67 3d5m h THR 227 Cb 0.76 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 3d5m h THR 227 CO 0.03 0.00 1.04 -0.69 -0.25 0.00 0.00 175.52 175.65 3d5m s VAL 228 N -3.16 3.82 0.61 6.82 1.01 -1.03 -4.83 120.40 123.63 3d5m s VAL 228 Ca 0.08 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.05 3d5m s VAL 228 Cb 0.11 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.90 3d5m s VAL 228 CO 0.66 -0.12 0.84 0.42 0.00 0.00 0.00 175.10 176.91 3d5m s THR 229 N 4.05 2.45 0.19 3.92 -4.23 -1.26 -3.97 115.64 116.79 3d5m s THR 229 Ca 0.67 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 60.38 3d5m s THR 229 Cb -0.28 -2.76 0.10 0.00 1.34 0.00 0.00 72.50 70.89 3d5m s THR 229 CO 0.25 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 176.08 3d5m h GLU 230 N -0.11 0.71 -0.57 3.99 4.81 -1.88 -2.52 114.58 119.02 3d5m h GLU 230 Ca -0.39 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 58.91 3d5m h GLU 230 Cb 1.28 -0.16 -0.11 0.00 0.63 0.00 0.00 28.75 30.40 3d5m h GLU 230 CO 0.47 0.47 -0.14 -0.97 -0.73 0.00 0.00 179.01 178.11 3d5m h ASN 231 N 0.73 -0.52 -0.79 1.04 -1.24 -1.97 -0.84 115.58 111.98 3d5m h ASN 231 Ca 0.24 0.17 0.01 0.00 0.71 0.00 0.00 56.30 57.42 3d5m h ASN 231 Cb 0.01 0.35 -0.04 0.00 0.73 0.00 0.00 38.32 39.37 3d5m h ASN 231 CO -0.09 -0.18 0.52 0.44 -1.29 0.00 0.00 177.43 176.82 3d5m h ASP 232 N 0.00 0.92 -0.03 1.15 3.32 -1.86 0.23 116.42 120.16 3d5m h ASP 232 Ca 0.27 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 57.11 3d5m h ASP 232 Cb 0.42 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3d5m h ASP 232 CO -0.58 0.67 -0.66 0.40 -1.72 0.00 0.00 179.24 177.35 3d5m h ILE 233 N 1.08 1.31 -0.54 0.35 2.04 -1.00 0.14 117.51 120.89 3d5m h ILE 233 Ca 0.29 -1.92 -0.08 0.00 1.00 0.00 0.00 64.86 64.15 3d5m h ILE 233 Cb -0.12 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3d5m h ILE 233 CO -0.06 0.60 0.01 0.03 0.00 0.00 0.00 178.15 178.73 3d5m h ARG 234 N 0.47 0.94 -0.33 2.37 3.08 -0.94 -2.14 114.38 117.83 3d5m h ARG 234 Ca -0.02 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 59.77 3d5m h ARG 234 Cb 1.25 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 3d5m h ARG 234 CO 0.13 0.94 0.15 0.28 -1.07 0.00 0.00 179.97 180.40 3d5m h VAL 235 N 0.81 0.96 -0.68 2.04 2.07 -0.32 -1.11 116.25 120.02 3d5m h VAL 235 Ca 0.15 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.71 3d5m h VAL 235 Cb 0.51 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 3d5m h VAL 235 CO 0.02 0.06 0.14 -0.33 0.02 0.00 0.00 177.57 177.48 3d5m h GLU 236 N 0.31 0.24 -0.15 1.57 5.08 -0.62 -2.08 114.58 118.93 3d5m h GLU 236 Ca 0.14 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3d5m h GLU 236 Cb 0.08 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3d5m h GLU 236 CO -0.11 0.16 -0.34 1.49 -1.00 0.00 0.00 179.01 179.21 3d5m h GLU 237 N 0.25 0.30 -0.31 2.33 4.81 -0.95 -1.83 114.58 119.18 3d5m h GLU 237 Ca 0.37 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 3d5m h GLU 237 Cb 0.60 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3d5m h GLU 237 CO -0.48 0.60 -0.07 0.66 -0.73 0.00 0.00 179.01 179.00 3d5m h SER 238 N 0.26 0.47 -0.01 1.04 4.64 -0.56 0.26 113.55 119.65 3d5m h SER 238 Ca 0.03 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3d5m h SER 238 Cb 0.72 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3d5m h SER 238 CO 0.05 0.59 -0.00 0.40 -0.87 0.00 0.00 176.83 177.00 3d5m h ILE 239 N 0.47 1.32 -0.53 0.95 2.04 -0.96 -2.75 117.51 118.04 3d5m h ILE 239 Ca 0.09 -0.94 0.10 0.00 1.00 0.00 0.00 64.86 65.12 3d5m h ILE 239 Cb 0.41 1.94 -0.09 0.00 -0.74 0.00 0.00 36.82 38.35 3d5m h ILE 239 CO 0.02 0.25 0.01 1.88 0.00 0.00 0.00 178.15 180.31 3d5m h TYR 240 N -0.38 -0.01 0.00 1.37 0.05 -1.10 -1.75 116.97 115.15 3d5m h TYR 240 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3d5m h TYR 240 Cb 0.40 0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.23 3d5m h TYR 240 CO 0.06 -0.12 0.00 1.96 -1.05 0.00 0.00 178.16 179.02 3d5m h GLN 241 N 0.13 0.00 0.00 4.88 1.08 -0.87 -1.52 115.11 118.81 3d5m h GLN 241 Ca 0.27 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.43 3d5m h GLN 241 Cb 0.42 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3d5m h GLN 241 CO -0.44 0.00 -0.21 0.00 -0.95 0.00 0.00 178.83 177.24 3d5m s ASP 244 N -1.65 6.12 0.14 0.00 -1.08 0.12 -4.96 116.67 115.36 3d5m s ASP 244 Ca 0.78 0.89 0.06 0.00 -0.52 0.00 0.00 52.55 53.76 3d5m s ASP 244 Cb -0.31 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.57 3d5m s ASP 244 CO 0.36 -1.60 -0.14 -0.76 0.52 0.00 0.00 175.17 173.55 3d5m s LEU 245 N 6.15 2.45 0.41 -1.34 1.43 -1.26 -1.62 118.68 124.90 3d5m s LEU 245 Ca 0.66 -0.87 -0.25 0.00 -1.03 0.00 0.00 54.13 52.64 3d5m s LEU 245 Cb -0.16 -0.59 -0.08 0.00 0.03 0.00 0.00 46.19 45.39 3d5m s LEU 245 CO 0.32 -0.15 1.22 0.00 0.23 0.00 0.00 176.35 177.96 3d5m s ALA 246 N -2.38 3.17 0.41 4.21 0.00 -1.26 -4.87 121.76 121.03 3d5m s ALA 246 Ca 0.13 1.07 0.14 0.00 0.00 0.00 0.00 51.96 53.30 3d5m s ALA 246 Cb -0.04 -3.42 0.99 0.00 0.00 0.00 0.00 23.12 20.66 3d5m s ALA 246 CO 0.04 -0.67 1.90 -1.35 0.00 0.00 0.00 175.76 175.69 3d5m h PRO 247 N 2.58 0.47 -0.75 0.00 0.11 -2.00 0.27 132.00 132.67 3d5m h PRO 247 Ca -0.49 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3d5m h PRO 247 Cb 1.24 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3d5m h PRO 247 CO 0.62 0.31 0.48 0.93 -0.21 0.00 0.00 178.00 180.14 3d5m h GLU 248 N 0.48 0.93 -0.51 1.05 5.08 -2.00 -2.49 114.58 117.12 3d5m h GLU 248 Ca 0.39 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 3d5m h GLU 248 Cb 0.83 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3d5m h GLU 248 CO -0.14 0.61 0.05 0.00 -1.00 0.00 0.00 179.01 178.53 3d5m h ALA 249 N 1.31 0.69 -0.60 3.43 0.00 -1.34 -2.33 119.26 120.41 3d5m h ALA 249 Ca 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d5m h ALA 249 Cb -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3d5m h ALA 249 CO -0.10 0.45 0.36 0.00 0.00 0.00 0.00 179.25 179.96 3d5m h ARG 250 N 0.75 0.82 -0.36 0.00 3.08 -1.18 -0.66 114.38 116.82 3d5m h ARG 250 Ca 0.15 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3d5m h ARG 250 Cb 0.45 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3d5m h ARG 250 CO 0.02 0.60 -0.01 0.37 -1.07 0.00 0.00 179.97 179.87 3d5m h GLN 251 N 0.81 0.65 -0.57 0.04 5.75 -1.39 -1.77 115.11 118.63 3d5m h GLN 251 Ca 0.21 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3d5m h GLN 251 Cb -0.01 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 3d5m h GLN 251 CO -0.04 0.77 0.21 0.00 -2.65 0.00 0.00 178.83 177.12 3d5m h ALA 252 N 0.86 1.29 -0.36 3.38 0.00 -1.19 -1.34 119.26 121.89 3d5m h ALA 252 Ca 0.10 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3d5m h ALA 252 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3d5m h ALA 252 CO 0.02 0.52 -0.29 0.82 0.00 0.00 0.00 179.25 180.32 3d5m h ILE 253 N 0.83 1.28 0.01 0.00 2.04 -1.00 -2.01 117.51 118.66 3d5m h ILE 253 Ca 0.19 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 3d5m h ILE 253 Cb 0.19 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3d5m h ILE 253 CO -0.01 0.48 -0.01 0.50 0.00 0.00 0.00 178.15 179.11 3d5m h LYS 254 N 0.64 -0.01 0.13 2.37 3.64 -1.00 -1.51 116.57 120.83 3d5m h LYS 254 Ca 0.07 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3d5m h LYS 254 Cb 0.87 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 3d5m h LYS 254 CO 0.08 0.06 -0.28 0.77 -2.27 0.00 0.00 179.45 177.81 3d5m h SER 255 N -0.09 -0.81 -0.82 4.20 0.02 -1.23 -0.56 113.55 114.26 3d5m h SER 255 Ca -0.00 0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.13 3d5m h SER 255 Cb 0.08 0.30 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 3d5m h SER 255 CO 0.00 -0.38 0.53 -0.07 -1.14 0.00 0.00 176.83 175.78 3d5m h LEU 256 N -0.51 0.71 0.41 5.07 3.38 -1.37 0.29 115.31 123.29 3d5m h LEU 256 Ca 0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3d5m h LEU 256 Cb 0.53 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3d5m h LEU 256 CO -0.16 0.43 -0.20 0.74 0.09 0.00 0.00 178.44 179.34 3d5m h THR 257 N 0.79 0.59 -0.26 0.22 2.02 -0.76 0.25 112.91 115.76 3d5m h THR 257 Ca 0.38 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 67.23 3d5m h THR 257 Cb 0.40 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3d5m h THR 257 CO -0.15 0.05 -0.18 -0.33 0.37 0.00 0.00 175.52 175.28 3d5m h GLU 258 N -0.70 0.47 0.00 6.66 4.39 -0.60 -1.93 114.58 122.87 3d5m h GLU 258 Ca -0.06 -0.15 -0.36 0.00 0.34 0.00 0.00 59.36 59.13 3d5m h GLU 258 Cb 0.50 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 3d5m h GLU 258 CO 0.09 0.64 -2.37 0.54 -1.16 0.00 0.00 179.01 176.75 3d5m n ARG 259 N -4.17 0.74 0.04 2.33 1.74 0.96 -4.73 116.66 113.57 3d5m n ARG 259 Ca 0.00 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3d5m n ARG 259 Cb 0.36 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3d5m n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3d5m n LEU 260 N -2.75 0.90 -0.11 0.55 7.94 0.03 -0.59 117.00 122.96 3d5m n LEU 260 Ca -0.33 0.11 -0.10 0.00 -1.11 0.00 0.00 56.01 54.58 3d5m n LEU 260 Cb 1.14 -0.27 -0.02 0.00 0.53 0.00 0.00 43.42 44.80 3d5m n LEU 260 CO 0.42 -0.61 0.85 1.88 -1.11 0.00 0.00 177.39 178.82 3d5m h TYR 261 N 0.00 0.54 -0.15 1.96 0.05 -0.55 -2.79 116.97 116.02 3d5m h TYR 261 Ca 0.00 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.66 3d5m h TYR 261 Cb 0.20 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3d5m h TYR 261 CO 0.00 0.55 -0.17 0.82 -1.05 0.00 0.00 178.16 178.31 3d5m h ILE 262 N 0.36 1.20 0.00 -2.88 2.04 -1.59 -3.41 117.51 113.23 3d5m h ILE 262 Ca 0.10 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3d5m h ILE 262 Cb 0.28 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3d5m h ILE 262 CO -0.00 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.04 3d5m n GLY 263 N -0.77 -2.33 0.00 5.37 0.00 -1.05 -3.88 105.19 102.53 3d5m n GLY 263 Ca -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3d5m n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5m n GLY 264 N -0.60 1.38 3.78 -0.02 0.00 -0.99 -4.03 105.19 104.71 3d5m n GLY 264 Ca 0.00 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 3d5m n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d5m s PRO 265 N -2.00 3.59 -0.18 1.61 0.04 -1.26 -1.53 135.00 135.26 3d5m s PRO 265 Ca 0.00 1.52 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 3d5m s PRO 265 Cb 0.00 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 3d5m s PRO 265 CO 0.00 -0.64 -0.10 -0.51 0.04 0.00 0.00 177.00 175.79 3d5m s LEU 266 N -3.58 2.70 -0.08 -3.56 1.43 -0.23 -2.98 118.68 112.39 3d5m s LEU 266 Ca 0.69 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 3d5m s LEU 266 Cb -0.21 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 3d5m s LEU 266 CO 0.25 0.05 -0.20 -0.89 0.23 0.00 0.00 176.35 175.79 3d5m s THR 267 N 1.04 2.53 0.88 5.49 2.01 -0.38 0.15 115.64 127.37 3d5m s THR 267 Ca -0.00 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 60.99 3d5m s THR 267 Cb -0.15 -1.98 0.16 0.00 0.01 0.00 0.00 72.50 70.54 3d5m s THR 267 CO -0.02 0.56 1.22 0.54 -0.69 0.00 0.00 174.62 176.24 3d5m s ASN 268 N -0.15 3.66 0.62 3.53 2.20 -0.08 -1.13 114.94 123.60 3d5m s ASN 268 Ca -0.03 0.26 0.34 0.00 -0.94 0.00 0.00 52.86 52.50 3d5m s ASN 268 Cb -0.14 -0.48 1.99 0.00 -2.00 0.00 0.00 41.25 40.62 3d5m s ASN 268 CO 0.04 -2.38 2.25 0.77 -2.94 0.00 0.00 177.10 174.84 3d5m h SER 269 N -1.29 0.00 0.04 3.54 4.64 -1.76 -0.40 113.55 118.31 3d5m h SER 269 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3d5m h SER 269 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3d5m h SER 269 CO 0.44 0.00 -0.06 0.29 -0.87 0.00 0.00 176.83 176.64 3d5m n LYS 270 N -3.54 1.52 -0.81 4.77 5.02 -1.26 -4.94 118.16 118.93 3d5m n LYS 270 Ca -0.02 -0.91 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 3d5m n LYS 270 Cb 0.14 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3d5m n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d5m n GLY 271 N 1.22 0.53 3.89 0.72 0.00 -0.16 -5.06 105.19 106.34 3d5m n GLY 271 Ca 0.17 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3d5m n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d5m s GLN 272 N -1.10 3.58 -0.14 1.61 -0.21 -1.26 -4.81 119.66 117.32 3d5m s GLN 272 Ca 0.00 -0.13 -0.29 0.00 0.02 0.00 0.00 55.36 54.96 3d5m s GLN 272 Cb 0.00 -2.99 -0.02 0.00 1.00 0.00 0.00 33.01 31.00 3d5m s GLN 272 CO 0.00 0.57 1.35 1.21 -2.12 0.00 0.00 175.29 176.30 3d5m s ASN 273 N -2.11 6.88 0.02 5.90 3.04 -1.26 -0.90 114.94 126.51 3d5m s ASN 273 Ca 0.34 1.81 0.20 0.00 0.04 0.00 0.00 52.86 55.24 3d5m s ASN 273 Cb -0.13 -2.54 -0.19 0.00 -1.54 0.00 0.00 41.25 36.86 3d5m s ASN 273 CO 0.21 -0.80 0.64 0.00 -3.04 0.00 0.00 177.10 174.11 3d5m n GLY 275 N 1.37 0.19 2.89 0.00 0.00 -1.19 -0.74 105.19 107.71 3d5m n GLY 275 Ca -0.10 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 3d5m n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d5m s TYR 276 N -4.00 0.14 -0.12 1.61 5.04 0.19 -1.07 117.35 119.14 3d5m s TYR 276 Ca 0.00 -0.02 -0.03 0.00 -2.44 0.00 0.00 57.07 54.58 3d5m s TYR 276 Cb 0.00 -0.11 -0.03 0.00 0.35 0.00 0.00 41.96 42.17 3d5m s TYR 276 CO 0.00 -0.01 -0.01 0.50 -1.34 0.00 0.00 175.55 174.68 3d5m s ARG 277 N 0.07 3.33 -0.14 4.97 3.52 -0.58 0.04 118.95 130.16 3d5m s ARG 277 Ca -0.00 -0.46 0.15 0.00 -0.13 0.00 0.00 55.73 55.28 3d5m s ARG 277 Cb -0.02 -2.86 0.37 0.00 -1.56 0.00 0.00 34.95 30.88 3d5m s ARG 277 CO -0.00 0.48 1.18 0.54 -0.81 0.00 0.00 175.30 176.69 3d5m n ARG 278 N 2.83 1.13 -2.68 5.12 1.74 0.02 -2.34 116.66 122.47 3d5m n ARG 278 Ca -0.18 -2.77 -0.06 0.00 -0.77 0.00 0.00 57.85 54.08 3d5m n ARG 278 Cb 0.53 -1.22 -0.02 0.00 -1.02 0.00 0.00 32.46 30.72 3d5m n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d5m s ARG 280 N -2.42 4.14 0.08 0.00 6.06 -0.92 -4.59 118.95 121.30 3d5m s ARG 280 Ca 0.13 2.56 -0.29 0.00 -2.50 0.00 0.00 55.73 55.63 3d5m s ARG 280 Cb 0.01 -3.09 -0.05 0.00 0.06 0.00 0.00 34.95 31.87 3d5m s ARG 280 CO 0.09 -0.73 0.92 0.00 -2.50 0.00 0.00 175.30 173.08 3d5m s ALA 281 N 1.18 3.26 0.08 6.12 0.00 -1.26 -4.75 121.76 126.39 3d5m s ALA 281 Ca 0.74 0.51 0.25 0.00 0.00 0.00 0.00 51.96 53.45 3d5m s ALA 281 Cb -0.49 -3.22 0.90 0.00 0.00 0.00 0.00 23.12 20.31 3d5m s ALA 281 CO 0.32 -0.03 1.81 0.66 0.00 0.00 0.00 175.76 178.52 3d5m h SER 282 N 5.75 0.00 -1.20 0.00 4.64 -1.87 -3.36 113.55 117.50 3d5m h SER 282 Ca -0.43 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.28 3d5m h SER 282 Cb 1.21 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.92 3d5m h SER 282 CO 0.72 0.20 -0.28 0.61 -0.87 0.00 0.00 176.83 177.21 3d5m n GLY 283 N 0.26 6.08 3.46 -0.77 0.00 0.76 -4.13 105.19 110.85 3d5m n GLY 283 Ca 0.01 -2.62 -0.23 0.00 0.00 0.00 0.00 46.02 43.17 3d5m n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d5m s VAL 284 N -5.00 2.17 0.34 1.61 -7.23 -1.13 -4.32 120.40 106.84 3d5m s VAL 284 Ca 0.52 -2.28 0.02 0.00 -1.81 0.00 0.00 61.98 58.43 3d5m s VAL 284 Cb 0.43 -2.36 0.22 0.00 0.56 0.00 0.00 36.38 35.22 3d5m s VAL 284 CO -0.10 -0.37 1.95 0.25 -0.31 0.00 0.00 175.10 176.52 3d5m h LEU 285 N 2.26 0.66 -0.40 1.32 5.85 -1.81 -2.70 115.31 120.48 3d5m h LEU 285 Ca -0.40 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3d5m h LEU 285 Cb 1.25 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3d5m h LEU 285 CO 0.64 0.56 0.00 0.35 -0.34 0.00 0.00 178.44 179.65 3d5m n THR 286 N -4.38 0.09 -0.13 1.05 -2.24 -1.26 -4.31 114.28 103.11 3d5m n THR 286 Ca 0.05 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 3d5m n THR 286 Cb 0.12 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.32 3d5m n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3d5m h THR 287 N 0.77 1.16 0.35 4.28 2.02 -1.74 0.27 112.91 120.02 3d5m h THR 287 Ca 0.00 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 3d5m h THR 287 Cb 0.17 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3d5m h THR 287 CO 0.00 0.17 -0.17 -1.28 0.37 0.00 0.00 175.52 174.62 3d5m h SER 288 N 0.49 -0.39 -0.38 4.18 0.87 -1.75 -1.52 113.55 115.05 3d5m h SER 288 Ca 0.14 -0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.58 3d5m h SER 288 Cb 0.09 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 3d5m h SER 288 CO -0.02 0.04 0.15 0.00 -0.53 0.00 0.00 176.83 176.48 3d5m h GLY 290 N 0.32 0.80 0.99 0.00 0.00 -0.54 -0.84 103.07 103.79 3d5m h GLY 290 Ca 0.17 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.03 3d5m h GLY 290 CO -0.15 0.45 0.56 3.43 0.00 0.00 0.00 176.54 180.83 3d5m h ASN 291 N 0.63 0.96 0.03 0.19 2.35 -1.08 -1.05 115.58 117.62 3d5m h ASN 291 Ca 0.15 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3d5m h ASN 291 Cb 0.29 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3d5m h ASN 291 CO -0.00 0.69 -0.01 0.74 -1.65 0.00 0.00 177.43 177.20 3d5m h THR 292 N 1.14 1.21 -0.29 2.81 2.02 -0.78 0.66 112.91 119.67 3d5m h THR 292 Ca 0.32 -0.74 0.05 0.00 0.77 0.00 0.00 66.41 66.81 3d5m h THR 292 Cb -0.11 1.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 3d5m h THR 292 CO -0.08 0.19 0.01 -0.07 0.37 0.00 0.00 175.52 175.94 3d5m h LEU 293 N -0.35 -0.10 -0.25 2.58 3.38 -1.13 0.38 115.31 119.82 3d5m h LEU 293 Ca -0.00 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3d5m h LEU 293 Cb 0.33 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3d5m h LEU 293 CO 0.01 -0.02 -0.01 0.74 0.09 0.00 0.00 178.44 179.25 3d5m h THR 294 N 0.10 1.26 -0.35 0.22 2.02 -1.14 -0.11 112.91 114.91 3d5m h THR 294 Ca 0.14 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.38 3d5m h THR 294 Cb 0.18 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3d5m h THR 294 CO -0.23 0.29 0.22 0.00 0.37 0.00 0.00 175.52 176.18 3d5m h TYR 296 N 0.46 1.11 0.22 0.00 5.03 -0.73 -0.81 116.97 122.25 3d5m h TYR 296 Ca 0.13 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 3d5m h TYR 296 Cb -0.02 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 37.92 3d5m h TYR 296 CO -0.04 0.81 -0.11 1.25 -1.32 0.00 0.00 178.16 178.75 3d5m h LEU 297 N 1.10 -0.25 0.20 2.82 5.85 -0.82 -0.43 115.31 123.78 3d5m h LEU 297 Ca 0.27 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3d5m h LEU 297 Cb 0.12 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3d5m h LEU 297 CO -0.03 0.05 -0.11 0.11 -0.34 0.00 0.00 178.44 178.11 3d5m h LYS 298 N -0.56 -0.28 -0.44 1.25 1.57 -1.32 -0.90 116.57 115.89 3d5m h LYS 298 Ca -0.03 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3d5m h LYS 298 Cb 0.41 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 3d5m h LYS 298 CO 0.05 -0.19 0.19 0.00 -0.57 0.00 0.00 179.45 178.93 3d5m h ALA 299 N 0.50 0.54 -0.35 3.86 0.00 -1.21 0.29 119.26 122.89 3d5m h ALA 299 Ca -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3d5m h ALA 299 Cb 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3d5m h ALA 299 CO 0.03 -0.18 0.14 0.77 0.00 0.00 0.00 179.25 180.01 3d5m h SER 300 N 0.38 0.49 -0.76 0.00 0.02 -0.96 0.33 113.55 113.05 3d5m h SER 300 Ca 0.20 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 3d5m h SER 300 Cb 0.15 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3d5m h SER 300 CO -0.17 0.52 0.27 0.00 -1.14 0.00 0.00 176.83 176.32 3d5m h ALA 301 N 0.98 1.03 0.00 3.77 0.00 -1.01 -2.76 119.26 121.28 3d5m h ALA 301 Ca 0.12 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3d5m h ALA 301 Cb 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3d5m h ALA 301 CO -0.01 0.67 -0.30 0.00 0.00 0.00 0.00 179.25 179.60 3d5m h ALA 302 N 1.16 1.43 -0.49 0.00 0.00 -0.07 -1.57 119.26 119.72 3d5m h ALA 302 Ca 0.25 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3d5m h ALA 302 Cb 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3d5m h ALA 302 CO -0.01 0.38 -0.10 0.00 0.00 0.00 0.00 179.25 179.51 3d5m h ARG 304 N 0.79 0.26 -0.79 0.00 3.08 -1.19 -1.48 114.38 115.05 3d5m h ARG 304 Ca 0.13 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.25 3d5m h ARG 304 Cb 0.66 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.58 3d5m h ARG 304 CO 0.05 0.22 0.44 0.00 -1.07 0.00 0.00 179.97 179.60 3d5m h ALA 305 N 1.03 1.13 0.00 0.04 0.00 -1.26 -2.67 119.26 117.52 3d5m h ALA 305 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3d5m h ALA 305 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3d5m h ALA 305 CO -0.01 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3d5m n ALA 306 N -2.39 2.28 -2.24 0.00 0.00 -0.73 -4.92 120.51 112.50 3d5m n ALA 306 Ca 0.13 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.35 3d5m n ALA 306 Cb 0.29 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 3d5m n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3d5m n LYS 307 N -2.09 -1.46 -1.82 0.00 5.02 -0.59 -4.79 118.16 112.44 3d5m n LYS 307 Ca 0.06 0.93 -0.41 0.00 -2.02 0.00 0.00 58.31 56.87 3d5m n LYS 307 Cb 0.40 -5.43 -0.01 0.00 -0.02 0.00 0.00 35.03 29.97 3d5m n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3d5m s LEU 308 N -5.19 4.35 -0.16 -0.35 1.43 -1.02 -4.97 118.68 112.76 3d5m s LEU 308 Ca 0.00 2.92 -0.14 0.00 -1.03 0.00 0.00 54.13 55.88 3d5m s LEU 308 Cb 0.00 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 3d5m s LEU 308 CO 0.00 -0.87 0.29 -1.58 0.23 0.00 0.00 176.35 174.42 3d5m s GLN 309 N -0.72 4.25 -1.39 1.70 2.00 -1.26 -4.38 119.66 119.87 3d5m s GLN 309 Ca 0.61 0.09 -0.03 0.00 -2.00 0.00 0.00 55.36 54.03 3d5m s GLN 309 Cb -0.47 -3.43 0.02 0.00 0.80 0.00 0.00 33.01 29.93 3d5m s GLN 309 CO 0.49 0.22 0.66 -3.47 -0.50 0.00 0.00 175.29 172.70 3d5m n ASP 310 N 3.63 -1.56 -4.59 6.67 2.03 -1.26 -0.16 116.55 121.31 3d5m n ASP 310 Ca -0.12 -0.88 -0.43 0.00 0.52 0.00 0.00 54.79 53.89 3d5m n ASP 310 Cb 0.52 -3.68 -0.03 0.00 -0.72 0.00 0.00 41.12 37.20 3d5m n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3d5m s THR 312 N 3.84 5.23 0.09 0.00 2.01 0.17 -4.93 115.64 122.05 3d5m s THR 312 Ca 0.40 0.81 0.05 0.00 0.31 0.00 0.00 61.69 63.26 3d5m s THR 312 Cb -0.10 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 3d5m s THR 312 CO 0.25 0.35 0.01 -0.04 -0.69 0.00 0.00 174.62 174.51 3d5m s MET 313 N 0.56 2.60 -0.10 4.92 -1.94 -1.26 -1.00 119.30 123.08 3d5m s MET 313 Ca 0.23 -0.82 -0.01 0.00 -1.71 0.00 0.00 55.69 53.37 3d5m s MET 313 Cb -0.14 -2.57 0.03 0.00 2.01 0.00 0.00 34.83 34.16 3d5m s MET 313 CO 0.08 0.54 -0.03 -1.17 -0.01 0.00 0.00 175.02 174.43 3d5m s LEU 314 N -2.36 0.90 -0.07 -0.03 2.96 -0.27 -4.21 118.68 115.59 3d5m s LEU 314 Ca 0.26 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3d5m s LEU 314 Cb -0.12 -0.62 0.02 0.00 0.50 0.00 0.00 46.19 45.96 3d5m s LEU 314 CO 0.19 -0.17 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.25 3d5m s VAL 315 N 1.85 1.10 -0.38 1.68 1.01 -0.11 -1.50 120.40 124.05 3d5m s VAL 315 Ca 0.04 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3d5m s VAL 315 Cb -0.13 -1.03 0.12 0.00 0.00 0.00 0.00 36.38 35.34 3d5m s VAL 315 CO -0.07 0.35 0.15 0.20 0.00 0.00 0.00 175.10 175.74 3d5m s ASN 316 N 0.86 4.01 1.61 3.32 0.01 -0.38 -0.77 114.94 123.60 3d5m s ASN 316 Ca -0.11 -2.17 0.00 0.00 -0.71 0.00 0.00 52.86 49.87 3d5m s ASN 316 Cb -0.15 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.42 3d5m s ASN 316 CO 0.01 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 175.87 3d5m n GLY 317 N 4.16 3.96 0.15 0.66 0.00 -1.26 -1.12 105.19 111.74 3d5m n GLY 317 Ca 0.03 0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.39 3d5m n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d5m n ASP 318 N 7.63 0.56 -4.65 1.61 3.85 -1.26 -3.69 116.55 120.60 3d5m n ASP 318 Ca 0.00 -0.73 -0.40 0.00 -0.71 0.00 0.00 54.79 52.95 3d5m n ASP 318 Cb 0.00 -0.05 -0.06 0.00 -1.35 0.00 0.00 41.12 39.66 3d5m n ASP 318 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3d5m s ASP 319 N -2.38 6.59 -0.06 -1.12 -1.08 -0.28 -4.69 116.67 113.66 3d5m s ASP 319 Ca 0.32 0.72 0.01 0.00 -0.52 0.00 0.00 52.55 53.08 3d5m s ASP 319 Cb 0.20 -2.32 0.02 0.00 -1.46 0.00 0.00 42.92 39.36 3d5m s ASP 319 CO 0.45 -0.25 -0.08 -0.22 0.52 0.00 0.00 175.17 175.58 3d5m s LEU 320 N 1.94 1.44 -0.02 -1.34 2.96 -1.26 -1.25 118.68 121.15 3d5m s LEU 320 Ca 0.26 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 3d5m s LEU 320 Cb -0.16 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 45.85 3d5m s LEU 320 CO 0.10 -0.02 -0.14 0.54 -1.32 0.00 0.00 176.35 175.50 3d5m s VAL 321 N 0.92 1.11 -0.11 1.68 0.11 -0.57 -0.99 120.40 122.56 3d5m s VAL 321 Ca -0.10 -0.58 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 3d5m s VAL 321 Cb -0.15 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 33.77 3d5m s VAL 321 CO 0.01 0.32 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.19 3d5m s VAL 322 N -0.17 1.91 -0.12 2.04 1.01 0.04 -1.12 120.40 123.99 3d5m s VAL 322 Ca 0.02 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3d5m s VAL 322 Cb -0.07 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.64 3d5m s VAL 322 CO 0.00 0.52 -0.20 -0.63 0.00 0.00 0.00 175.10 174.79 3d5m s ILE 323 N 0.57 1.88 0.15 2.22 1.01 -0.17 -0.86 121.20 125.99 3d5m s ILE 323 Ca -0.14 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.66 3d5m s ILE 323 Cb -0.17 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 3d5m s ILE 323 CO 0.04 0.52 0.14 0.00 0.00 0.00 0.00 174.94 175.64 3d5m s GLU 325 N -2.58 4.41 0.34 0.00 0.41 0.77 -1.45 118.70 120.59 3d5m s GLU 325 Ca 0.18 1.05 -0.28 0.00 -0.41 0.00 0.00 54.97 55.50 3d5m s GLU 325 Cb 0.01 -3.50 -0.10 0.00 -1.78 0.00 0.00 34.13 28.76 3d5m s GLU 325 CO 0.12 -0.12 1.27 0.45 -0.49 0.00 0.00 175.26 176.50 3d5m s SER 326 N 0.99 6.78 -0.26 -0.19 0.15 0.20 -4.40 113.70 116.97 3d5m s SER 326 Ca 0.41 2.61 0.10 0.00 0.70 0.00 0.00 55.95 59.77 3d5m s SER 326 Cb -0.18 -2.64 0.50 0.00 -1.71 0.00 0.00 66.02 61.98 3d5m s SER 326 CO 0.18 -0.52 1.43 0.00 1.20 0.00 0.00 173.24 175.53 3d5m n ALA 327 N 0.74 4.00 0.00 5.45 0.00 -1.26 -4.86 120.51 124.58 3d5m n ALA 327 Ca 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 50.43 3d5m n ALA 327 Cb 0.43 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3d5m n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d5m n GLY 328 N -1.05 0.17 0.37 0.00 0.00 -1.26 -4.40 105.19 99.01 3d5m n GLY 328 Ca 0.30 -1.63 0.07 0.00 0.00 0.00 0.00 46.02 44.76 3d5m n GLY 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5m h THR 329 N 0.00 0.95 0.19 2.61 1.03 -2.00 -1.79 112.91 113.91 3d5m h THR 329 Ca 0.00 -0.31 -0.27 0.00 -0.01 0.00 0.00 66.41 65.82 3d5m h THR 329 Cb 0.00 -0.02 0.03 0.00 -1.07 0.00 0.00 68.15 67.08 3d5m h THR 329 CO 0.00 0.16 -1.23 -0.61 -0.01 0.00 0.00 175.52 173.84 3d5m h GLN 330 N 0.90 0.41 0.00 0.00 4.15 -2.00 -3.14 115.11 115.42 3d5m h GLN 330 Ca 0.43 -0.70 -0.09 0.00 0.77 0.00 0.00 58.65 59.07 3d5m h GLN 330 Cb 0.44 0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 3d5m h GLN 330 CO -0.19 1.33 -0.41 0.93 -1.93 0.00 0.00 178.83 178.56 3d5m h GLU 331 N -0.11 0.00 -0.56 1.69 4.39 -1.74 -2.25 114.58 116.00 3d5m h GLU 331 Ca -0.22 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.41 3d5m h GLU 331 Cb 1.92 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.54 3d5m h GLU 331 CO 0.20 0.41 0.07 -0.44 -1.16 0.00 0.00 179.01 178.09 3d5m h ASP 332 N 0.00 0.91 -0.22 1.42 3.32 -1.44 0.00 116.42 120.42 3d5m h ASP 332 Ca -0.00 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.69 3d5m h ASP 332 Cb 1.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3d5m h ASP 332 CO 0.05 0.95 -0.14 0.00 -1.72 0.00 0.00 179.24 178.38 3d5m h ALA 333 N 0.99 1.10 -0.12 3.45 0.00 -1.46 -1.24 119.26 121.97 3d5m h ALA 333 Ca 0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3d5m h ALA 333 Cb 0.44 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3d5m h ALA 333 CO 0.02 0.56 -0.06 0.00 0.00 0.00 0.00 179.25 179.77 3d5m h ALA 334 N 1.28 0.17 -0.44 0.00 0.00 -1.25 -2.86 119.26 116.16 3d5m h ALA 334 Ca 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3d5m h ALA 334 Cb 0.57 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3d5m h ALA 334 CO 0.04 -0.05 0.13 0.77 0.00 0.00 0.00 179.25 180.13 3d5m h SER 335 N -0.09 0.59 -0.03 0.00 0.02 -0.83 -2.00 113.55 111.22 3d5m h SER 335 Ca 0.03 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.76 3d5m h SER 335 Cb 0.51 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3d5m h SER 335 CO 0.02 0.58 -0.42 0.25 -1.14 0.00 0.00 176.83 176.11 3d5m h LEU 336 N 0.64 0.59 -0.67 5.07 6.46 -1.28 -0.66 115.31 125.46 3d5m h LEU 336 Ca 0.15 -0.27 -0.05 0.00 -0.12 0.00 0.00 57.88 57.59 3d5m h LEU 336 Cb 0.21 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 3d5m h LEU 336 CO -0.01 0.94 0.24 0.03 -0.62 0.00 0.00 178.44 179.03 3d5m h ARG 337 N 0.45 1.02 -0.04 1.25 3.08 -1.14 -0.64 114.38 118.36 3d5m h ARG 337 Ca 0.04 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3d5m h ARG 337 Cb 0.93 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 3d5m h ARG 337 CO 0.08 0.87 0.02 0.28 -1.07 0.00 0.00 179.97 180.15 3d5m h VAL 338 N 0.96 1.00 -0.59 2.04 2.07 -1.20 -1.10 116.25 119.44 3d5m h VAL 338 Ca 0.22 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.84 3d5m h VAL 338 Cb 0.25 0.95 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 3d5m h VAL 338 CO -0.01 0.01 0.06 0.15 0.02 0.00 0.00 177.57 177.80 3d5m h PHE 339 N 0.05 0.07 -0.50 1.57 3.57 -0.86 -0.63 116.94 120.20 3d5m h PHE 339 Ca 0.02 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 3d5m h PHE 339 Cb 0.00 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3d5m h PHE 339 CO -0.08 -0.10 -0.08 1.15 -2.23 0.00 0.00 178.31 176.97 3d5m h THR 340 N 0.18 1.26 -0.46 4.41 2.02 -0.91 -0.19 112.91 119.22 3d5m h THR 340 Ca 0.31 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.26 3d5m h THR 340 Cb 0.48 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3d5m h THR 340 CO -0.45 0.41 0.12 -0.33 0.37 0.00 0.00 175.52 175.65 3d5m h GLU 341 N 0.82 0.72 0.42 6.66 5.08 -0.58 -0.53 114.58 127.18 3d5m h GLU 341 Ca 0.14 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3d5m h GLU 341 Cb 0.60 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3d5m h GLU 341 CO 0.04 0.71 -0.34 0.00 -1.00 0.00 0.00 179.01 178.42 3d5m h ALA 342 N 0.98 -0.78 -0.99 3.43 0.00 -0.91 -1.55 119.26 119.44 3d5m h ALA 342 Ca 0.14 -0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.10 3d5m h ALA 342 Cb 0.31 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 3d5m h ALA 342 CO -0.00 -0.96 0.59 0.52 0.00 0.00 0.00 179.25 179.40 3d5m h MET 343 N -0.76 0.74 -0.29 0.00 2.86 -0.87 -0.80 114.93 115.81 3d5m h MET 343 Ca -0.04 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 3d5m h MET 343 Cb 0.66 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3d5m h MET 343 CO -0.01 0.49 -0.05 1.15 1.06 0.00 0.00 176.91 179.55 3d5m h THR 344 N 0.76 1.28 -0.88 2.22 2.02 -0.92 0.18 112.91 117.56 3d5m h THR 344 Ca 0.56 -1.05 0.09 0.00 0.77 0.00 0.00 66.41 66.78 3d5m h THR 344 Cb 0.85 1.38 -0.06 0.00 -1.74 0.00 0.00 68.15 68.58 3d5m h THR 344 CO -0.38 0.34 0.57 0.03 0.37 0.00 0.00 175.52 176.45 3d5m h ARG 345 N 0.31 0.85 0.00 6.66 3.08 -0.14 -1.25 114.38 123.88 3d5m h ARG 345 Ca 0.08 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3d5m h ARG 345 Cb 0.52 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3d5m h ARG 345 CO 0.02 0.56 0.00 0.66 -1.07 0.00 0.00 179.97 180.14 3d5m n TYR 346 N -4.52 0.00 -2.72 3.04 4.01 -0.53 -0.59 117.16 115.85 3d5m n TYR 346 Ca 0.15 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.79 3d5m n TYR 346 Cb 0.30 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.38 3d5m n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3d5m n SER 347 N -0.88 -2.70 -3.02 7.72 2.88 -0.47 -4.87 113.62 112.28 3d5m n SER 347 Ca 0.14 -0.36 -0.15 0.00 -1.33 0.00 0.00 58.87 57.17 3d5m n SER 347 Cb 0.06 -3.12 0.01 0.00 -0.75 0.00 0.00 64.21 60.42 3d5m n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d5m n ALA 348 N -2.69 0.97 -1.76 -1.46 0.00 0.58 -4.60 120.51 111.56 3d5m n ALA 348 Ca -0.13 -2.68 -0.34 0.00 0.00 0.00 0.00 53.44 50.29 3d5m n ALA 348 Cb 0.59 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 3d5m n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d5m s PRO 349 N -1.38 3.64 0.55 0.00 0.04 -1.26 -4.04 135.00 132.54 3d5m s PRO 349 Ca 0.33 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 3d5m s PRO 349 Cb 0.32 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 3d5m s PRO 349 CO -0.07 -0.56 0.97 -1.25 0.04 0.00 0.00 177.00 176.12 3d5m s PRO 350 N -3.49 3.74 0.00 0.56 0.04 -1.26 -1.06 135.00 133.53 3d5m s PRO 350 Ca 0.66 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.46 3d5m s PRO 350 Cb -0.16 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3d5m s PRO 350 CO 0.25 -0.38 0.19 0.41 0.04 0.00 0.00 177.00 177.52 3d5m n GLY 351 N -2.13 -0.02 3.84 0.56 0.00 0.86 -4.27 105.19 104.02 3d5m n GLY 351 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3d5m n GLY 351 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3d5m s ASP 352 N -1.51 6.35 0.35 1.61 1.47 -1.26 -4.94 116.67 118.74 3d5m s ASP 352 Ca 0.00 0.42 -0.28 0.00 1.18 0.00 0.00 52.55 53.87 3d5m s ASP 352 Cb 0.00 -2.08 -0.12 0.00 -0.34 0.00 0.00 42.92 40.38 3d5m s ASP 352 CO 0.00 0.35 1.32 -0.81 0.68 0.00 0.00 175.17 176.70 3d5m n PRO 353 N 2.39 2.20 -2.14 2.11 -0.04 -1.26 -4.61 135.00 133.65 3d5m n PRO 353 Ca -0.19 0.77 -0.37 0.00 -0.04 0.00 0.00 63.50 63.67 3d5m n PRO 353 Cb 0.54 -2.38 0.01 0.00 -0.04 0.00 0.00 33.50 31.63 3d5m n PRO 353 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3d5m s PRO 354 N -1.91 3.52 -0.01 0.54 0.04 -1.26 -5.04 135.00 130.88 3d5m s PRO 354 Ca 0.55 1.85 0.04 0.00 0.04 0.00 0.00 61.00 63.48 3d5m s PRO 354 Cb -0.56 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 3d5m s PRO 354 CO 0.62 -0.77 -0.12 -0.65 0.04 0.00 0.00 177.00 176.12 3d5m s GLN 355 N -2.86 1.01 0.42 4.56 -1.52 -1.26 -5.00 119.66 115.02 3d5m s GLN 355 Ca 0.67 -0.45 -0.25 0.00 -1.95 0.00 0.00 55.36 53.39 3d5m s GLN 355 Cb -0.31 -0.98 -0.08 0.00 -0.22 0.00 0.00 33.01 31.43 3d5m s GLN 355 CO 0.36 0.27 1.25 -2.14 -0.25 0.00 0.00 175.29 174.78 3d5m s PRO 356 N -0.30 3.89 0.05 2.91 0.02 -1.26 -4.64 135.00 135.67 3d5m s PRO 356 Ca 0.05 2.01 0.07 0.00 0.02 0.00 0.00 61.00 63.15 3d5m s PRO 356 Cb -0.05 -2.64 -0.03 0.00 0.02 0.00 0.00 34.50 31.81 3d5m s PRO 356 CO -0.00 -0.51 -0.19 -1.21 -0.33 0.00 0.00 177.00 174.75 3d5m s GLU 357 N -2.38 1.27 0.00 5.54 0.41 0.11 -4.98 118.70 118.68 3d5m s GLU 357 Ca 0.59 -0.93 0.04 0.00 -0.41 0.00 0.00 54.97 54.27 3d5m s GLU 357 Cb -0.35 -1.38 0.05 0.00 -1.78 0.00 0.00 34.13 30.68 3d5m s GLU 357 CO 0.44 0.35 0.75 0.66 -0.49 0.00 0.00 175.26 176.96 3d5m n TYR 358 N 1.78 0.04 -4.07 1.61 4.01 -1.26 -1.31 117.16 117.96 3d5m n TYR 358 Ca -0.18 -0.13 -0.32 0.00 -0.16 0.00 0.00 57.90 57.12 3d5m n TYR 358 Cb 0.54 -0.01 -0.15 0.00 -0.31 0.00 0.00 39.34 39.40 3d5m n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3d5m s ASP 359 N -0.52 4.11 0.38 7.72 2.15 -1.26 -4.98 116.67 124.27 3d5m s ASP 359 Ca 0.06 -1.21 0.11 0.00 0.43 0.00 0.00 52.55 51.94 3d5m s ASP 359 Cb 0.04 -1.51 0.89 0.00 -0.30 0.00 0.00 42.92 42.04 3d5m s ASP 359 CO 0.05 -0.15 1.88 0.25 -0.17 0.00 0.00 175.17 177.04 3d5m h LEU 360 N 7.82 0.57 -0.90 -1.34 5.85 -1.96 -1.36 115.31 123.99 3d5m h LEU 360 Ca -0.25 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3d5m h LEU 360 Cb 1.06 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3d5m h LEU 360 CO 0.50 0.29 0.00 -0.62 -0.34 0.00 0.00 178.44 178.27 3d5m n GLU 361 N -4.54 0.15 0.00 1.25 1.02 -1.26 -2.13 120.64 115.14 3d5m n GLU 361 Ca 0.16 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 57.92 3d5m n GLU 361 Cb 0.49 -1.86 0.08 0.00 -0.02 0.00 0.00 31.44 30.13 3d5m n GLU 361 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3d5m n LEU 362 N -2.16 2.58 -4.70 -4.62 4.77 -0.51 -4.48 117.00 107.89 3d5m n LEU 362 Ca 0.01 -0.89 -0.40 0.00 -0.03 0.00 0.00 56.01 54.70 3d5m n LEU 362 Cb 0.14 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3d5m n LEU 362 CO 0.14 0.44 0.44 -0.63 -1.33 0.00 0.00 177.39 176.45 3d5m s ILE 363 N -2.18 5.01 -0.26 -0.08 1.01 -0.90 -5.06 121.20 118.74 3d5m s ILE 363 Ca 0.25 1.43 -0.11 0.00 0.00 0.00 0.00 60.65 62.22 3d5m s ILE 363 Cb 0.19 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 3d5m s ILE 363 CO 0.40 0.18 0.20 -0.89 0.00 0.00 0.00 174.94 174.83 3d5m s THR 364 N 1.30 5.32 -0.04 2.92 2.01 -1.26 -4.17 115.64 121.72 3d5m s THR 364 Ca 0.36 0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.55 3d5m s THR 364 Cb -0.17 -3.54 0.01 0.00 0.01 0.00 0.00 72.50 68.81 3d5m s THR 364 CO 0.15 0.29 0.11 -0.94 -0.69 0.00 0.00 174.62 173.54 3d5m s SER 365 N 1.41 -0.09 -1.45 3.53 1.04 0.23 -4.67 113.70 113.70 3d5m s SER 365 Ca 0.08 0.17 -0.00 0.00 0.48 0.00 0.00 55.95 56.68 3d5m s SER 365 Cb -0.15 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3d5m s SER 365 CO 0.08 -0.08 0.31 0.00 0.98 0.00 0.00 173.24 174.53 3d5m n SER 367 N -2.96 -4.08 -4.05 0.00 7.64 -1.26 -4.93 113.62 103.98 3d5m n SER 367 Ca -0.31 0.23 -0.09 0.00 1.01 0.00 0.00 58.87 59.71 3d5m n SER 367 Cb 0.69 -3.57 -0.11 0.00 -1.01 0.00 0.00 64.21 60.21 3d5m n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3d5m s SER 368 N -2.10 0.51 0.13 6.43 0.01 -0.86 -4.62 113.70 113.20 3d5m s SER 368 Ca 0.00 -0.74 0.06 0.00 1.31 0.00 0.00 55.95 56.58 3d5m s SER 368 Cb 0.00 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 3d5m s SER 368 CO 0.00 -0.41 -0.14 0.54 0.41 0.00 0.00 173.24 173.63 3d5m s ASN 369 N -2.18 2.06 0.21 2.44 4.22 0.26 -0.60 114.94 121.35 3d5m s ASN 369 Ca -0.04 -0.81 -0.30 0.00 -2.14 0.00 0.00 52.86 49.57 3d5m s ASN 369 Cb -0.02 -0.08 -0.08 0.00 1.28 0.00 0.00 41.25 42.35 3d5m s ASN 369 CO -0.04 -0.13 1.10 -0.69 -2.04 0.00 0.00 177.10 175.30 3d5m s VAL 370 N -2.12 3.72 0.27 3.54 1.01 -1.26 -1.16 120.40 124.40 3d5m s VAL 370 Ca 0.09 1.56 0.03 0.00 0.00 0.00 0.00 61.98 63.67 3d5m s VAL 370 Cb -0.05 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 3d5m s VAL 370 CO 0.03 0.31 0.21 -0.55 0.00 0.00 0.00 175.10 175.10 3d5m s SER 371 N -0.38 0.96 -0.00 3.32 0.15 -0.40 -4.25 113.70 113.10 3d5m s SER 371 Ca 0.48 -1.58 0.03 0.00 0.70 0.00 0.00 55.95 55.57 3d5m s SER 371 Cb -0.30 0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 64.47 3d5m s SER 371 CO 0.37 -0.96 -0.10 0.54 1.20 0.00 0.00 173.24 174.29 3d5m s VAL 372 N -3.77 0.77 0.00 4.45 0.11 -1.26 -1.59 120.40 119.11 3d5m s VAL 372 Ca 0.40 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 3d5m s VAL 372 Cb 0.04 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 3d5m s VAL 372 CO 0.20 0.17 0.00 0.00 -3.33 0.00 0.00 175.10 172.14 3d5m n ALA 373 N 2.71 0.00 -2.56 1.54 0.00 -0.61 -3.77 120.51 117.82 3d5m n ALA 373 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.07 3d5m n ALA 373 Cb 0.56 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.86 3d5m n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3d5m s HIS 374 N -2.02 1.35 0.68 0.00 3.76 0.25 -1.26 115.29 118.04 3d5m s HIS 374 Ca 0.00 -0.26 -0.11 0.00 -0.15 0.00 0.00 55.06 54.54 3d5m s HIS 374 Cb 0.00 -0.87 0.16 0.00 1.11 0.00 0.00 32.58 32.98 3d5m s HIS 374 CO 0.00 -0.03 0.84 -0.40 -0.85 0.00 0.00 174.74 174.30 3d5m n ASP 375 N 2.73 -0.34 0.06 1.40 3.85 -0.38 -0.55 116.55 123.32 3d5m n ASP 375 Ca -0.14 -1.23 0.02 0.00 -0.71 0.00 0.00 54.79 52.73 3d5m n ASP 375 Cb 0.55 -0.66 0.37 0.00 -1.35 0.00 0.00 41.12 40.03 3d5m n ASP 375 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3d5m h ALA 376 N -2.01 1.51 0.00 2.12 0.00 -1.90 -1.57 119.26 117.42 3d5m h ALA 376 Ca -0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3d5m h ALA 376 Cb 0.79 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3d5m h ALA 376 CO 0.19 0.35 0.00 -1.13 0.00 0.00 0.00 179.25 178.67 3d5m n SER 377 N -4.32 0.00 0.00 0.00 3.41 -1.26 -4.88 113.62 106.57 3d5m n SER 377 Ca 0.01 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 3d5m n SER 377 Cb 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 3d5m n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d5m n GLY 378 N 0.75 0.70 3.74 5.00 0.00 -0.59 -5.03 105.19 109.76 3d5m n GLY 378 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3d5m n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d5m s LYS 379 N -0.07 4.69 0.30 1.61 2.20 -1.26 -4.76 119.74 122.46 3d5m s LYS 379 Ca 0.00 1.40 -0.29 0.00 -0.36 0.00 0.00 55.97 56.71 3d5m s LYS 379 Cb 0.00 -3.35 -0.10 0.00 -1.51 0.00 0.00 37.83 32.86 3d5m s LYS 379 CO 0.00 0.29 1.42 1.03 -0.36 0.00 0.00 175.35 177.72 3d5m s ARG 380 N -0.24 4.26 -0.03 4.03 0.52 -1.26 -1.25 118.95 124.98 3d5m s ARG 380 Ca 0.44 2.34 0.00 0.00 -0.52 0.00 0.00 55.73 58.00 3d5m s ARG 380 Cb -0.23 -3.07 0.03 0.00 0.52 0.00 0.00 34.95 32.20 3d5m s ARG 380 CO 0.29 -0.38 0.00 0.54 0.02 0.00 0.00 175.30 175.77 3d5m s VAL 381 N -0.56 0.13 0.11 3.52 0.11 -0.39 -4.89 120.40 118.44 3d5m s VAL 381 Ca 0.55 0.10 -0.19 0.00 -2.93 0.00 0.00 61.98 59.51 3d5m s VAL 381 Cb -0.42 -0.23 -0.07 0.00 -1.53 0.00 0.00 36.38 34.13 3d5m s VAL 381 CO 0.50 0.13 0.60 -0.31 -3.33 0.00 0.00 175.10 172.69 3d5m s TYR 382 N 0.98 3.77 0.12 1.54 2.02 -1.26 -1.57 117.35 122.94 3d5m s TYR 382 Ca -0.10 1.28 -0.06 0.00 -0.37 0.00 0.00 57.07 57.83 3d5m s TYR 382 Cb -0.13 -2.51 -0.02 0.00 -0.40 0.00 0.00 41.96 38.90 3d5m s TYR 382 CO -0.02 0.54 0.16 1.52 -1.57 0.00 0.00 175.55 176.18 3d5m s TYR 383 N -1.20 0.44 -0.09 2.71 1.13 -0.62 -4.95 117.35 114.76 3d5m s TYR 383 Ca 0.32 -0.85 -0.11 0.00 -1.41 0.00 0.00 57.07 55.02 3d5m s TYR 383 Cb -0.19 -0.20 -0.05 0.00 -1.10 0.00 0.00 41.96 40.43 3d5m s TYR 383 CO 0.20 -0.57 0.25 -0.51 -2.51 0.00 0.00 175.55 172.41 3d5m s LEU 384 N -2.94 4.39 0.30 -3.49 1.43 -1.26 -1.28 118.68 115.83 3d5m s LEU 384 Ca 0.13 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 3d5m s LEU 384 Cb 0.05 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3d5m s LEU 384 CO -0.05 0.33 0.32 0.28 0.23 0.00 0.00 176.35 177.46 3d5m s THR 385 N -0.79 0.00 0.26 5.49 -1.32 -0.30 -4.74 115.64 114.24 3d5m s THR 385 Ca 0.18 -1.84 -0.16 0.00 -1.21 0.00 0.00 61.69 58.66 3d5m s THR 385 Cb -0.14 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 3d5m s THR 385 CO 0.07 0.00 0.57 0.00 -2.21 0.00 0.00 174.62 173.05 3d5m s ARG 386 N -3.53 1.64 0.13 7.08 1.70 -1.26 -0.57 118.95 124.13 3d5m s ARG 386 Ca 0.36 -1.16 -0.31 0.00 -0.47 0.00 0.00 55.73 54.16 3d5m s ARG 386 Cb 0.02 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 34.82 3d5m s ARG 386 CO 0.21 -0.71 1.79 0.34 -1.08 0.00 0.00 175.30 175.85 3d5m s ASP 387 N -2.98 6.45 0.00 -2.89 -1.08 -1.26 -4.90 116.67 110.01 3d5m s ASP 387 Ca 0.18 2.73 0.31 0.00 -0.52 0.00 0.00 52.55 55.26 3d5m s ASP 387 Cb -0.03 -2.57 1.69 0.00 -1.46 0.00 0.00 42.92 40.55 3d5m s ASP 387 CO 0.08 -0.98 2.11 -0.81 0.52 0.00 0.00 175.17 176.09 3d5m n PRO 388 N 5.45 1.14 0.02 4.34 -0.04 -1.26 -4.36 135.00 140.29 3d5m n PRO 388 Ca 0.17 -0.23 -0.14 0.00 -0.04 0.00 0.00 63.50 63.26 3d5m n PRO 388 Cb 0.38 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 3d5m n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3d5m h THR 389 N 0.56 0.05 -0.05 0.52 2.02 -1.94 -0.22 112.91 113.85 3d5m h THR 389 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3d5m h THR 389 Cb 0.13 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 3d5m h THR 389 CO 0.00 0.00 0.01 0.74 0.37 0.00 0.00 175.52 176.64 3d5m h THR 390 N -0.59 1.22 -0.99 3.16 2.02 -1.96 -0.83 112.91 114.94 3d5m h THR 390 Ca 0.04 -0.68 0.21 0.00 0.77 0.00 0.00 66.41 66.75 3d5m h THR 390 Cb 0.68 1.59 -0.11 0.00 -1.74 0.00 0.00 68.15 68.56 3d5m h THR 390 CO -0.39 0.19 0.59 -0.65 0.37 0.00 0.00 175.52 175.63 3d5m h PRO 391 N -0.17 0.66 -0.02 6.66 0.11 -1.80 -0.83 132.00 136.62 3d5m h PRO 391 Ca 0.02 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.87 3d5m h PRO 391 Cb 0.29 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3d5m h PRO 391 CO 0.00 0.44 -0.91 -0.07 -0.21 0.00 0.00 178.00 177.26 3d5m h LEU 392 N 0.68 0.54 -0.49 2.35 3.38 -0.70 0.06 115.31 121.14 3d5m h LEU 392 Ca 0.60 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3d5m h LEU 392 Cb 1.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3d5m h LEU 392 CO -0.42 1.21 0.11 0.00 0.09 0.00 0.00 178.44 179.43 3d5m h ALA 393 N 0.76 0.64 -0.66 1.53 0.00 -0.67 -1.23 119.26 119.63 3d5m h ALA 393 Ca -0.07 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3d5m h ALA 393 Cb 1.53 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 3d5m h ALA 393 CO 0.16 0.34 0.09 0.00 0.00 0.00 0.00 179.25 179.84 3d5m h ARG 394 N 0.67 1.11 -0.77 0.00 3.08 -1.11 -2.45 114.38 114.91 3d5m h ARG 394 Ca 0.15 -0.31 0.04 0.00 0.07 0.00 0.00 59.98 59.93 3d5m h ARG 394 Cb 0.34 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 3d5m h ARG 394 CO 0.00 1.03 0.48 0.00 -1.07 0.00 0.00 179.97 180.41 3d5m h ALA 395 N 1.04 1.02 -0.49 0.04 0.00 -0.74 -1.41 119.26 118.72 3d5m h ALA 395 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3d5m h ALA 395 Cb 0.47 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3d5m h ALA 395 CO 0.02 0.26 0.31 0.00 0.00 0.00 0.00 179.25 179.83 3d5m h ALA 396 N 1.34 0.63 -0.52 0.00 0.00 -1.12 -0.18 119.26 119.40 3d5m h ALA 396 Ca 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3d5m h ALA 396 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3d5m h ALA 396 CO -0.13 0.10 0.26 2.35 0.00 0.00 0.00 179.25 181.83 3d5m h TRP 397 N 0.66 0.74 0.00 0.00 2.91 -1.15 -2.64 115.95 116.47 3d5m h TRP 397 Ca 0.18 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.17 3d5m h TRP 397 Cb -0.03 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.39 3d5m h TRP 397 CO -0.03 0.57 0.00 0.39 -1.03 0.00 0.00 178.44 178.34 3d5m n GLU 398 N -4.60 0.17 0.13 2.65 1.02 -0.56 -1.40 120.64 118.06 3d5m n GLU 398 Ca 0.02 0.22 -0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3d5m n GLU 398 Cb 0.11 -1.73 0.27 0.00 -0.02 0.00 0.00 31.44 30.07 3d5m n GLU 398 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3d5m h THR 399 N 0.00 1.31 0.00 2.62 2.02 -0.64 -3.35 112.91 114.87 3d5m h THR 399 Ca 0.00 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.68 3d5m h THR 399 Cb 0.57 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 3d5m h THR 399 CO 0.00 0.44 -1.30 0.00 0.37 0.00 0.00 175.52 175.03 3d5m n ALA 400 N -2.47 2.68 -3.22 6.16 0.00 -0.93 -4.91 120.51 117.82 3d5m n ALA 400 Ca -0.02 -0.29 -0.21 0.00 0.00 0.00 0.00 53.44 52.93 3d5m n ALA 400 Cb 0.47 -0.40 -0.16 0.00 0.00 0.00 0.00 19.45 19.36 3d5m n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3d5m s ARG 401 N -2.64 1.05 0.08 0.00 1.81 -0.49 -4.90 118.95 113.86 3d5m s ARG 401 Ca -0.02 -0.28 -0.31 0.00 -1.72 0.00 0.00 55.73 53.40 3d5m s ARG 401 Cb 0.08 -0.97 -0.07 0.00 -0.45 0.00 0.00 34.95 33.54 3d5m s ARG 401 CO 0.48 0.06 1.39 -1.01 -0.68 0.00 0.00 175.30 175.54 3d5m s HIS 402 N 0.41 3.12 0.20 -0.53 3.76 -1.26 -4.31 115.29 116.68 3d5m s HIS 402 Ca -0.07 0.92 0.09 0.00 -0.15 0.00 0.00 55.06 55.85 3d5m s HIS 402 Cb -0.11 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.87 3d5m s HIS 402 CO 0.01 -2.39 -0.08 0.95 -0.85 0.00 0.00 174.74 172.38 3d5m s THR 403 N 1.49 3.19 0.10 1.30 -4.23 -1.26 -5.05 115.64 111.18 3d5m s THR 403 Ca 0.64 -1.75 -0.18 0.00 -1.18 0.00 0.00 61.69 59.22 3d5m s THR 403 Cb -0.35 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.81 3d5m s THR 403 CO 0.29 -0.18 1.60 1.55 -0.54 0.00 0.00 174.62 177.34 3d5m h PRO 404 N 2.68 0.44 -5.17 3.99 0.13 -1.96 -3.41 132.00 128.70 3d5m h PRO 404 Ca -0.46 -0.10 -0.65 0.00 -0.87 0.00 0.00 66.00 63.92 3d5m h PRO 404 Cb 1.22 -0.06 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 3d5m h PRO 404 CO 0.56 0.52 -0.70 0.08 -0.23 0.00 0.00 178.00 178.23 3d5m s VAL 405 N -5.31 3.59 -0.85 1.56 1.01 -1.26 -4.66 120.40 114.47 3d5m s VAL 405 Ca -0.13 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 3d5m s VAL 405 Cb 0.08 -2.59 0.12 0.00 0.00 0.00 0.00 36.38 33.99 3d5m s VAL 405 CO 0.74 0.46 1.05 0.20 0.00 0.00 0.00 175.10 177.55 3d5m s ASN 406 N 0.86 6.52 0.44 3.32 0.01 -0.72 -4.90 114.94 120.47 3d5m s ASN 406 Ca -0.01 -1.84 0.10 0.00 -0.71 0.00 0.00 52.86 50.40 3d5m s ASN 406 Cb -0.15 -2.39 0.99 0.00 0.41 0.00 0.00 41.25 40.12 3d5m s ASN 406 CO 0.01 -1.11 2.08 0.77 -1.51 0.00 0.00 177.10 177.34 3d5m h SER 407 N 8.94 0.33 -0.56 -1.22 4.64 -1.93 -2.18 113.55 121.57 3d5m h SER 407 Ca 0.04 -0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.42 3d5m h SER 407 Cb 1.04 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 3d5m h SER 407 CO 1.11 0.24 0.37 4.11 -0.87 0.00 0.00 176.83 181.78 3d5m h TRP 408 N 0.39 0.50 -0.10 4.77 5.08 -1.90 0.24 115.95 124.92 3d5m h TRP 408 Ca 0.11 0.01 -0.22 0.00 1.08 0.00 0.00 58.89 59.88 3d5m h TRP 408 Cb -0.01 -0.17 0.01 0.00 -3.00 0.00 0.00 29.16 26.00 3d5m h TRP 408 CO -0.00 0.27 -0.79 1.25 -1.28 0.00 0.00 178.44 177.89 3d5m h LEU 409 N 0.50 0.86 -0.77 0.11 5.85 -1.78 -0.59 115.31 119.49 3d5m h LEU 409 Ca 0.24 -0.67 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 3d5m h LEU 409 Cb 0.32 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3d5m h LEU 409 CO -0.07 1.40 0.47 1.23 -0.34 0.00 0.00 178.44 181.13 3d5m h GLY 410 N 0.40 1.12 0.92 3.75 0.00 -1.37 -1.94 103.07 105.95 3d5m h GLY 410 Ca -0.07 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 3d5m h GLY 410 CO 0.16 0.44 0.07 3.43 0.00 0.00 0.00 176.54 180.64 3d5m h ASN 411 N 1.06 0.59 -0.95 0.19 2.35 -0.87 -1.79 115.58 116.15 3d5m h ASN 411 Ca 0.28 -0.26 0.07 0.00 -0.55 0.00 0.00 56.30 55.84 3d5m h ASN 411 Cb -0.05 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.09 3d5m h ASN 411 CO -0.05 0.69 0.60 0.40 -1.65 0.00 0.00 177.43 177.42 3d5m h ILE 412 N 0.46 1.06 -0.06 2.81 2.04 -0.98 0.58 117.51 123.41 3d5m h ILE 412 Ca 0.11 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 3d5m h ILE 412 Cb 0.35 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 3d5m h ILE 412 CO 0.01 0.20 -0.04 0.40 0.00 0.00 0.00 178.15 178.71 3d5m h ILE 413 N 1.09 1.34 0.00 -0.67 2.04 -1.15 -1.76 117.51 118.40 3d5m h ILE 413 Ca 0.42 -1.11 -0.12 0.00 1.00 0.00 0.00 64.86 65.06 3d5m h ILE 413 Cb 0.19 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3d5m h ILE 413 CO -0.18 0.30 -1.00 0.24 0.00 0.00 0.00 178.15 177.52 3d5m h MET 414 N -0.26 0.00 -0.20 2.37 2.86 -1.26 -3.32 114.93 115.12 3d5m h MET 414 Ca 0.01 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 3d5m h MET 414 Cb 0.51 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.11 3d5m h MET 414 CO 0.01 0.30 -0.20 0.66 1.06 0.00 0.00 176.91 178.74 3d5m n TYR 415 N -2.97 0.63 0.08 -0.22 4.01 0.19 -4.82 117.16 114.06 3d5m n TYR 415 Ca -0.04 -1.46 0.09 0.00 -0.16 0.00 0.00 57.90 56.33 3d5m n TYR 415 Cb 0.75 -0.37 0.55 0.00 -0.31 0.00 0.00 39.34 39.96 3d5m n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3d5m h ALA 416 N 0.98 1.97 0.00 -0.72 0.00 -1.42 -1.91 119.26 118.16 3d5m h ALA 416 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3d5m h ALA 416 Cb 1.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3d5m h ALA 416 CO 0.22 -0.02 0.00 -2.30 0.00 0.00 0.00 179.25 177.15 3d5m n PRO 417 N -4.49 0.01 -1.81 0.00 -0.02 -1.26 -4.56 135.00 122.87 3d5m n PRO 417 Ca 0.03 0.02 -0.32 0.00 -2.02 0.00 0.00 63.50 61.21 3d5m n PRO 417 Cb 0.19 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.21 3d5m n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3d5m s THR 418 N -2.99 3.81 0.18 3.45 -4.23 -0.72 -4.90 115.64 110.23 3d5m s THR 418 Ca 0.14 0.74 -0.06 0.00 -1.18 0.00 0.00 61.69 61.32 3d5m s THR 418 Cb 0.18 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 3d5m s THR 418 CO 0.50 -0.62 1.51 0.17 -0.54 0.00 0.00 174.62 175.65 3d5m h LEU 419 N -0.10 0.79 -0.46 4.79 8.10 -1.91 -2.91 115.31 123.61 3d5m h LEU 419 Ca -0.46 -0.38 -0.17 0.00 0.11 0.00 0.00 57.88 56.99 3d5m h LEU 419 Cb 1.22 -0.22 -0.00 0.00 -0.44 0.00 0.00 40.66 41.21 3d5m h LEU 419 CO 0.56 1.12 -0.59 4.11 -4.11 0.00 0.00 178.44 179.53 3d5m h TRP 420 N 0.58 0.72 -0.28 0.17 5.08 -1.93 -1.57 115.95 118.73 3d5m h TRP 420 Ca 0.04 -0.27 -0.16 0.00 1.08 0.00 0.00 58.89 59.58 3d5m h TRP 420 Cb 1.00 -0.13 -0.01 0.00 -3.00 0.00 0.00 29.16 27.03 3d5m h TRP 420 CO 0.05 1.02 -0.48 0.00 -1.28 0.00 0.00 178.44 177.75 3d5m h ALA 421 N 0.92 0.63 0.07 0.11 0.00 -1.80 -2.11 119.26 117.10 3d5m h ALA 421 Ca -0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3d5m h ALA 421 Cb 1.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3d5m h ALA 421 CO 0.11 0.68 -0.04 0.00 0.00 0.00 0.00 179.25 180.00 3d5m h ARG 422 N 0.59 -0.10 0.04 0.00 3.08 -1.50 -0.53 114.38 115.97 3d5m h ARG 422 Ca 0.03 0.01 -0.27 0.00 0.07 0.00 0.00 59.98 59.82 3d5m h ARG 422 Cb 1.04 0.02 0.02 0.00 0.08 0.00 0.00 29.97 31.13 3d5m h ARG 422 CO 0.10 0.35 -1.09 0.52 -1.07 0.00 0.00 179.97 178.78 3d5m h MET 423 N -0.58 0.58 0.00 0.04 2.86 -1.37 -3.33 114.93 113.13 3d5m h MET 423 Ca -0.01 -0.68 0.00 0.00 -2.06 0.00 0.00 59.70 56.95 3d5m h MET 423 Cb 0.49 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.36 3d5m h MET 423 CO 0.02 1.28 -0.93 -0.89 1.06 0.00 0.00 176.91 177.45 3d5m n ILE 424 N -3.79 1.47 -0.12 -1.22 5.41 -0.80 -4.28 119.36 116.03 3d5m n ILE 424 Ca -0.11 0.16 -0.09 0.00 1.00 0.00 0.00 62.75 63.71 3d5m n ILE 424 Cb 0.91 -2.29 -0.01 0.00 -0.71 0.00 0.00 39.64 37.54 3d5m n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3d5m h LEU 425 N -0.93 0.49 -0.10 1.39 3.38 -1.45 -0.34 115.31 117.76 3d5m h LEU 425 Ca 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3d5m h LEU 425 Cb 0.93 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3d5m h LEU 425 CO 0.00 0.49 0.01 0.24 0.09 0.00 0.00 178.44 179.27 3d5m h MET 426 N 0.45 0.16 0.41 1.13 2.86 -1.22 -2.21 114.93 116.51 3d5m h MET 426 Ca 0.13 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3d5m h MET 426 Cb 0.13 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3d5m h MET 426 CO -0.01 0.39 -0.39 1.15 1.06 0.00 0.00 176.91 179.11 3d5m h THR 427 N -0.09 0.21 -0.12 2.22 2.02 -1.65 -0.94 112.91 114.55 3d5m h THR 427 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.24 3d5m h THR 427 Cb 0.31 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 3d5m h THR 427 CO 0.00 0.00 -0.06 -0.74 0.37 0.00 0.00 175.52 175.09 3d5m h HIS 428 N -0.81 -0.14 0.04 3.16 6.17 -1.12 -2.00 115.15 120.45 3d5m h HIS 428 Ca -0.03 0.01 -0.23 0.00 0.71 0.00 0.00 60.37 60.83 3d5m h HIS 428 Cb 0.72 0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.71 3d5m h HIS 428 CO -0.21 -0.10 -1.06 0.74 0.71 0.00 0.00 177.93 178.01 3d5m h PHE 429 N -0.05 0.14 -0.41 5.26 0.04 -1.40 -2.50 116.94 118.02 3d5m h PHE 429 Ca 0.07 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.66 3d5m h PHE 429 Cb 0.15 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3d5m h PHE 429 CO -0.19 1.08 -0.05 0.74 -0.60 0.00 0.00 178.31 179.29 3d5m h PHE 430 N 0.02 0.74 -0.50 -0.55 0.04 -1.17 -0.81 116.94 114.71 3d5m h PHE 430 Ca -0.04 -0.11 0.06 0.00 2.80 0.00 0.00 57.97 60.67 3d5m h PHE 430 Cb 1.82 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 39.72 3d5m h PHE 430 CO 0.02 0.73 0.22 1.03 -0.60 0.00 0.00 178.31 179.71 3d5m h SER 431 N 0.65 0.29 0.00 2.17 0.87 -1.30 -0.98 113.55 115.24 3d5m h SER 431 Ca 0.12 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3d5m h SER 431 Cb 0.47 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 3d5m h SER 431 CO 0.02 0.20 -0.00 0.40 -0.53 0.00 0.00 176.83 176.92 3d5m h ILE 432 N 0.43 1.05 -0.60 2.23 2.04 -1.15 -2.44 117.51 119.07 3d5m h ILE 432 Ca 0.23 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3d5m h ILE 432 Cb 0.19 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3d5m h ILE 432 CO -0.19 0.04 0.33 -0.07 0.00 0.00 0.00 178.15 178.26 3d5m h LEU 433 N -0.07 0.75 0.10 1.44 3.38 -0.89 -2.32 115.31 117.71 3d5m h LEU 433 Ca -0.00 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3d5m h LEU 433 Cb 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3d5m h LEU 433 CO 0.00 0.63 -0.26 -0.07 0.09 0.00 0.00 178.44 178.83 3d5m h LEU 434 N 0.82 -0.74 -2.05 1.67 3.38 -1.20 0.31 115.31 117.50 3d5m h LEU 434 Ca 0.21 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 3d5m h LEU 434 Cb 0.04 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3d5m h LEU 434 CO -0.03 -0.34 -0.03 0.00 0.09 0.00 0.00 178.44 178.12 3d5m h ALA 435 N 0.29 1.80 -0.02 1.53 0.00 -1.21 -0.91 119.26 120.74 3d5m h ALA 435 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d5m h ALA 435 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3d5m h ALA 435 CO -0.16 0.04 -0.13 1.04 0.00 0.00 0.00 179.25 180.04 3d5m n GLN 436 N -4.29 1.85 -3.79 0.00 1.13 -0.89 -4.98 117.38 106.40 3d5m n GLN 436 Ca -0.03 -1.45 -0.34 0.00 -1.94 0.00 0.00 57.00 53.24 3d5m n GLN 436 Cb 0.12 -1.47 0.03 0.00 0.11 0.00 0.00 30.24 29.03 3d5m n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3d5m n GLU 437 N 0.69 -1.30 -0.52 -1.09 1.02 -0.17 -4.93 120.64 114.34 3d5m n GLU 437 Ca 0.13 0.38 0.06 0.00 -0.02 0.00 0.00 57.16 57.71 3d5m n GLU 437 Cb 0.51 -3.87 0.12 0.00 -0.02 0.00 0.00 31.44 28.18 3d5m n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3d5m n GLN 438 N -4.38 0.96 -0.08 3.49 6.02 0.92 -4.77 117.38 119.54 3d5m n GLN 438 Ca -0.12 -2.44 -0.01 0.00 -0.01 0.00 0.00 57.00 54.42 3d5m n GLN 438 Cb 0.60 -1.13 0.26 0.00 1.02 0.00 0.00 30.24 30.99 3d5m n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3d5m h LEU 439 N 0.46 0.66 -0.00 1.08 3.38 -1.92 -2.90 115.31 116.05 3d5m h LEU 439 Ca -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3d5m h LEU 439 Cb 1.21 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3d5m h LEU 439 CO 0.01 0.62 -0.06 -0.62 0.09 0.00 0.00 178.44 178.49 3d5m n GLU 440 N -4.32 0.03 -2.75 1.13 4.71 -1.26 -3.84 120.64 114.33 3d5m n GLU 440 Ca 0.04 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.76 3d5m n GLU 440 Cb 0.18 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.08 3d5m n GLU 440 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 3d5m s LYS 441 N -2.97 4.25 0.32 3.49 2.20 -1.10 -4.94 119.74 120.99 3d5m s LYS 441 Ca 0.15 1.20 -0.29 0.00 -0.36 0.00 0.00 55.97 56.67 3d5m s LYS 441 Cb 0.19 -3.63 -0.10 0.00 -1.51 0.00 0.00 37.83 32.78 3d5m s LYS 441 CO 0.54 -0.54 1.35 0.00 -0.36 0.00 0.00 175.35 176.35 3d5m s ALA 442 N 2.89 3.53 0.04 3.13 0.00 -1.26 -4.44 121.76 125.65 3d5m s ALA 442 Ca 0.41 1.30 0.07 0.00 0.00 0.00 0.00 51.96 53.74 3d5m s ALA 442 Cb -0.16 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 3d5m s ALA 442 CO 0.08 -0.70 -0.20 -0.51 0.00 0.00 0.00 175.76 174.43 3d5m s LEU 443 N -1.48 2.16 -0.01 0.00 1.43 0.29 -4.83 118.68 116.24 3d5m s LEU 443 Ca 0.52 -0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 52.89 3d5m s LEU 443 Cb -0.41 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 3d5m s LEU 443 CO 0.52 0.15 0.65 -1.81 0.23 0.00 0.00 176.35 176.08 3d5m s ASP 444 N -1.14 7.02 0.04 2.29 -0.00 -1.26 0.66 116.67 124.29 3d5m s ASP 444 Ca 0.07 1.22 -0.00 0.00 -0.00 0.00 0.00 52.55 53.83 3d5m s ASP 444 Cb -0.09 -2.39 -0.03 0.00 -0.00 0.00 0.00 42.92 40.41 3d5m s ASP 444 CO 0.02 0.04 -0.04 0.00 -0.00 0.00 0.00 175.17 175.19 3d5m s GLN 446 N -2.98 3.67 -0.13 0.00 0.74 -1.26 -0.72 119.66 118.98 3d5m s GLN 446 Ca -0.01 -0.50 0.01 0.00 0.05 0.00 0.00 55.36 54.91 3d5m s GLN 446 Cb 0.01 -3.57 0.02 0.00 1.10 0.00 0.00 33.01 30.57 3d5m s GLN 446 CO -0.06 -0.27 -0.13 0.42 -0.55 0.00 0.00 175.29 174.69 3d5m s ILE 447 N 1.68 1.44 -1.27 -2.34 1.01 -0.46 -4.69 121.20 116.57 3d5m s ILE 447 Ca 0.06 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3d5m s ILE 447 Cb -0.16 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 40.99 3d5m s ILE 447 CO 0.08 0.43 0.32 -1.22 0.00 0.00 0.00 174.94 174.56 3d5m n TYR 448 N 4.57 -1.67 0.00 3.97 4.01 -1.26 -2.62 117.16 124.17 3d5m n TYR 448 Ca -0.17 0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3d5m n TYR 448 Cb 0.50 -3.20 0.00 0.00 -0.31 0.00 0.00 39.34 36.33 3d5m n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d5m n GLY 449 N -1.10 3.17 3.85 2.72 0.00 -1.26 -0.38 105.19 112.17 3d5m n GLY 449 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3d5m n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5m s ALA 450 N -2.18 3.44 -0.07 4.61 0.00 -1.08 -4.42 121.76 122.06 3d5m s ALA 450 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.78 3d5m s ALA 450 Cb 0.00 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 3d5m s ALA 450 CO 0.00 0.39 0.36 0.00 0.00 0.00 0.00 175.76 176.52 3d5m s TYR 452 N -0.40 1.57 -0.22 0.00 2.02 0.10 -0.69 117.35 119.73 3d5m s TYR 452 Ca 0.21 -0.46 -0.18 0.00 -0.37 0.00 0.00 57.07 56.27 3d5m s TYR 452 Cb -0.15 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 3d5m s TYR 452 CO 0.10 -0.17 0.52 0.45 -1.57 0.00 0.00 175.55 174.87 3d5m s SER 453 N 0.14 6.51 -0.03 2.29 0.15 -1.24 -1.07 113.70 120.44 3d5m s SER 453 Ca -0.05 0.62 0.02 0.00 0.70 0.00 0.00 55.95 57.24 3d5m s SER 453 Cb -0.12 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 3d5m s SER 453 CO 0.02 -0.22 -0.10 -0.63 1.20 0.00 0.00 173.24 173.51 3d5m s ILE 454 N 1.90 0.84 -0.33 6.45 1.01 0.21 -4.87 121.20 126.40 3d5m s ILE 454 Ca 0.23 -0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 3d5m s ILE 454 Cb -0.15 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 3d5m s ILE 454 CO 0.09 0.26 0.57 -1.61 0.00 0.00 0.00 174.94 174.25 3d5m s GLU 455 N 0.26 3.74 0.56 2.79 2.02 -1.26 0.10 118.70 126.91 3d5m s GLU 455 Ca -0.04 0.03 0.35 0.00 0.02 0.00 0.00 54.97 55.33 3d5m s GLU 455 Cb -0.10 -3.78 1.50 0.00 0.10 0.00 0.00 34.13 31.86 3d5m s GLU 455 CO 0.01 -0.62 1.77 -1.35 0.02 0.00 0.00 175.26 175.09 3d5m h PRO 456 N 8.36 0.00 0.00 0.39 0.11 -1.78 0.16 132.00 139.25 3d5m h PRO 456 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3d5m h PRO 456 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3d5m h PRO 456 CO 0.79 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.51 3d5m h LEU 457 N 0.00 0.00 -0.13 2.35 3.38 -1.93 -1.95 115.31 117.02 3d5m h LEU 457 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 3d5m h LEU 457 Cb 2.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.94 3d5m h LEU 457 CO -0.01 0.00 -0.05 0.47 0.09 0.00 0.00 178.44 178.94 3d5m n ASP 458 N -2.47 0.26 -0.15 -0.43 10.43 0.58 -4.50 116.55 120.26 3d5m n ASP 458 Ca 0.03 -0.49 -0.04 0.00 2.57 0.00 0.00 54.79 56.86 3d5m n ASP 458 Cb 0.31 -0.14 0.03 0.00 1.84 0.00 0.00 41.12 43.16 3d5m n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3d5m h LEU 459 N 0.32 -0.68 -0.51 0.64 3.38 -1.46 -1.92 115.31 115.08 3d5m h LEU 459 Ca 0.00 0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.23 3d5m h LEU 459 Cb 0.29 0.39 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 3d5m h LEU 459 CO 0.00 -0.23 0.09 -0.65 0.09 0.00 0.00 178.44 177.74 3d5m h PRO 460 N -0.08 0.21 -0.64 1.13 0.11 -1.84 0.13 132.00 131.02 3d5m h PRO 460 Ca 0.23 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 3d5m h PRO 460 Cb 0.44 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 3d5m h PRO 460 CO -0.55 0.14 0.36 1.96 -0.21 0.00 0.00 178.00 179.70 3d5m h GLN 461 N 0.22 0.88 -0.04 1.05 7.50 -1.79 -0.51 115.11 122.42 3d5m h GLN 461 Ca 0.26 -0.10 0.01 0.00 0.50 0.00 0.00 58.65 59.32 3d5m h GLN 461 Cb 0.36 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.71 3d5m h GLN 461 CO -0.35 0.66 -0.02 0.82 -1.50 0.00 0.00 178.83 178.44 3d5m h ILE 462 N 0.87 0.95 -0.20 2.54 2.04 -0.58 -2.12 117.51 121.01 3d5m h ILE 462 Ca 0.23 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 3d5m h ILE 462 Cb 0.03 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3d5m h ILE 462 CO -0.04 0.00 0.10 0.40 0.00 0.00 0.00 178.15 178.61 3d5m h ILE 463 N -0.01 1.12 -0.36 -0.67 2.04 -0.55 -1.23 117.51 117.85 3d5m h ILE 463 Ca 0.02 -0.33 0.08 0.00 1.00 0.00 0.00 64.86 65.63 3d5m h ILE 463 Cb 0.04 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 3d5m h ILE 463 CO -0.05 0.11 -0.17 -0.08 0.00 0.00 0.00 178.15 177.96 3d5m h GLU 464 N 0.20 -0.11 -0.54 2.37 4.81 -1.05 0.18 114.58 120.44 3d5m h GLU 464 Ca 0.07 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3d5m h GLU 464 Cb 0.09 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3d5m h GLU 464 CO -0.01 -0.07 0.11 0.00 -0.73 0.00 0.00 179.01 178.31 3d5m h ARG 465 N -0.11 0.84 0.00 1.92 2.47 -1.14 0.28 114.38 118.63 3d5m h ARG 465 Ca 0.18 -0.18 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 3d5m h ARG 465 Cb 0.39 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 3d5m h ARG 465 CO -0.43 0.76 -1.14 -0.07 0.56 0.00 0.00 179.97 179.66 3d5m h LEU 466 N 0.80 0.00 0.00 3.04 4.07 -0.74 -3.41 115.31 119.07 3d5m h LEU 466 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 3d5m h LEU 466 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3d5m h LEU 466 CO 0.00 0.71 -0.55 1.41 -1.08 0.00 0.00 178.44 178.93 3d5m n HIS 467 N -3.10 0.00 0.00 1.13 8.25 0.58 -1.82 115.22 120.27 3d5m n HIS 467 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3d5m n HIS 467 Cb 0.87 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.98 3d5m n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d5m n GLY 468 N 1.39 0.35 0.34 -1.41 0.00 0.97 -4.55 105.19 102.29 3d5m n GLY 468 Ca 0.00 -1.71 0.14 0.00 0.00 0.00 0.00 46.02 44.45 3d5m n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3d5m h LEU 469 N 0.00 0.15 -2.60 0.99 3.38 -1.88 -2.60 115.31 112.75 3d5m h LEU 469 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3d5m h LEU 469 Cb 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3d5m h LEU 469 CO 0.00 0.09 0.12 0.77 0.09 0.00 0.00 178.44 179.51 3d5m h SER 470 N 0.17 0.00 0.21 -0.43 4.64 -1.95 -1.20 113.55 115.00 3d5m h SER 470 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3d5m h SER 470 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3d5m h SER 470 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3d5m h ALA 471 N 1.78 1.00 -0.15 5.18 0.00 -1.70 -0.67 119.26 124.69 3d5m h ALA 471 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3d5m h ALA 471 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3d5m h ALA 471 CO -0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 3d5m n PHE 472 N -2.62 0.18 -0.94 0.00 3.72 -0.45 -4.36 117.46 112.99 3d5m n PHE 472 Ca -0.01 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3d5m n PHE 472 Cb 0.10 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.65 3d5m n PHE 472 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3d5m n SER 473 N 1.22 0.48 -4.76 4.37 3.41 -0.30 -4.59 113.62 113.45 3d5m n SER 473 Ca 0.16 -1.41 -0.41 0.00 -0.26 0.00 0.00 58.87 56.96 3d5m n SER 473 Cb 0.56 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 3d5m n SER 473 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3d5m s LEU 474 N -0.31 4.43 0.33 1.04 1.43 -0.97 -3.70 118.68 120.93 3d5m s LEU 474 Ca 0.01 2.62 -0.04 0.00 -1.03 0.00 0.00 54.13 55.69 3d5m s LEU 474 Cb 0.01 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.60 3d5m s LEU 474 CO 0.00 -0.54 0.48 -1.38 0.23 0.00 0.00 176.35 175.15 3d5m s HIS 475 N -0.79 0.94 -1.23 0.29 -3.43 0.29 -4.93 115.29 106.42 3d5m s HIS 475 Ca 0.51 -1.21 -0.05 0.00 -0.80 0.00 0.00 55.06 53.51 3d5m s HIS 475 Cb -0.39 -0.02 -0.01 0.00 -1.43 0.00 0.00 32.58 30.73 3d5m s HIS 475 CO 0.49 -1.13 0.76 0.43 -2.00 0.00 0.00 174.74 173.29 3d5m n SER 476 N -1.27 -2.89 -4.66 7.38 7.64 -1.26 -0.59 113.62 117.97 3d5m n SER 476 Ca 0.00 -0.84 -0.31 0.00 1.01 0.00 0.00 58.87 58.74 3d5m n SER 476 Cb 0.62 -4.14 0.17 0.00 -1.01 0.00 0.00 64.21 59.85 3d5m n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3d5m s TYR 477 N -3.57 1.57 0.52 1.43 2.02 -1.26 -4.31 117.35 113.73 3d5m s TYR 477 Ca 0.17 1.76 -0.17 0.00 -0.37 0.00 0.00 57.07 58.46 3d5m s TYR 477 Cb -0.04 -3.34 -0.08 0.00 -0.40 0.00 0.00 41.96 38.10 3d5m s TYR 477 CO 0.81 -2.92 0.99 -1.54 -1.57 0.00 0.00 175.55 171.32 3d5m s SER 478 N -2.64 6.52 0.26 2.29 1.04 -1.25 -4.88 113.70 115.04 3d5m s SER 478 Ca 0.67 1.64 -0.03 0.00 0.48 0.00 0.00 55.95 58.70 3d5m s SER 478 Cb -0.23 -2.52 0.40 0.00 0.10 0.00 0.00 66.02 63.77 3d5m s SER 478 CO 0.58 -0.66 1.86 -0.65 0.98 0.00 0.00 173.24 175.35 3d5m h PRO 479 N 0.99 1.00 -0.35 4.02 0.11 -1.96 -1.33 132.00 134.49 3d5m h PRO 479 Ca -0.47 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3d5m h PRO 479 Cb 1.19 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3d5m h PRO 479 CO 0.61 0.66 0.22 0.78 -0.21 0.00 0.00 178.00 180.06 3d5m h GLY 480 N 1.03 0.51 0.72 -0.55 0.00 -1.99 -0.20 103.07 102.59 3d5m h GLY 480 Ca 0.42 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 3d5m h GLY 480 CO -0.19 0.20 -0.02 -2.09 0.00 0.00 0.00 176.54 174.43 3d5m h GLU 481 N 0.46 -0.07 -0.59 4.80 4.57 -1.88 -1.89 114.58 119.98 3d5m h GLU 481 Ca 0.13 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.39 3d5m h GLU 481 Cb -0.01 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 3d5m h GLU 481 CO -0.03 0.22 0.25 0.82 -1.18 0.00 0.00 179.01 179.10 3d5m h ILE 482 N -0.35 0.84 -0.74 2.32 2.04 -1.21 -1.07 117.51 119.34 3d5m h ILE 482 Ca -0.01 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3d5m h ILE 482 Cb 0.31 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3d5m h ILE 482 CO 0.01 0.08 0.49 0.78 0.00 0.00 0.00 178.15 179.51 3d5m h ASN 483 N 0.46 0.85 -0.15 1.72 4.21 -0.95 -0.86 115.58 120.87 3d5m h ASN 483 Ca 0.29 -0.02 -0.20 0.00 1.21 0.00 0.00 56.30 57.58 3d5m h ASN 483 Cb 0.30 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 3d5m h ASN 483 CO -0.26 0.62 -0.65 -0.09 -1.29 0.00 0.00 177.43 175.77 3d5m h ARG 484 N 1.01 0.77 -0.01 0.81 2.43 -0.47 -1.62 114.38 117.30 3d5m h ARG 484 Ca 0.27 -0.55 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3d5m h ARG 484 Cb -0.11 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3d5m h ARG 484 CO -0.06 1.17 0.00 0.28 -1.51 0.00 0.00 179.97 179.85 3d5m h VAL 485 N 0.56 1.16 -0.93 0.20 2.07 -1.02 -2.78 116.25 115.51 3d5m h VAL 485 Ca -0.02 -0.47 0.08 0.00 0.82 0.00 0.00 66.70 67.11 3d5m h VAL 485 Cb 1.26 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.43 3d5m h VAL 485 CO 0.13 0.12 0.58 0.00 0.02 0.00 0.00 177.57 178.43 3d5m h ALA 486 N 0.80 1.32 -0.89 1.67 0.00 -1.12 -0.30 119.26 120.74 3d5m h ALA 486 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d5m h ALA 486 Cb 0.20 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3d5m h ALA 486 CO -0.00 0.30 0.55 1.03 0.00 0.00 0.00 179.25 181.13 3d5m h SER 487 N 1.02 1.06 -0.30 0.00 0.87 -1.29 -2.42 113.55 112.48 3d5m h SER 487 Ca 0.42 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.86 3d5m h SER 487 Cb 0.26 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3d5m h SER 487 CO -0.20 0.80 -0.08 0.00 -0.53 0.00 0.00 176.83 176.82 3d5m h LEU 489 N 0.35 0.54 -0.62 0.00 3.38 -1.29 -1.05 115.31 116.62 3d5m h LEU 489 Ca 0.08 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.07 3d5m h LEU 489 Cb 0.56 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 3d5m h LEU 489 CO 0.03 0.42 0.30 0.03 0.09 0.00 0.00 178.44 179.31 3d5m h ARG 490 N 0.60 0.52 -0.45 1.13 3.08 -1.36 0.44 114.38 118.35 3d5m h ARG 490 Ca 0.16 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 3d5m h ARG 490 Cb -0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3d5m h ARG 490 CO -0.03 0.35 0.15 -0.22 -1.07 0.00 0.00 179.97 179.15 3d5m h LYS 491 N 0.54 0.68 0.00 0.04 3.64 -0.98 -3.22 116.57 117.27 3d5m h LYS 491 Ca 0.29 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3d5m h LYS 491 Cb 0.27 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3d5m h LYS 491 CO -0.23 0.65 -0.95 1.28 -2.27 0.00 0.00 179.45 177.93 3d5m n LEU 492 N -4.57 0.63 -1.64 5.20 4.32 -0.43 -4.87 117.00 115.64 3d5m n LEU 492 Ca 0.01 -0.01 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 3d5m n LEU 492 Cb 0.17 -0.11 0.03 0.00 -1.62 0.00 0.00 43.42 41.89 3d5m n LEU 492 CO 0.38 0.04 0.08 0.61 -1.22 0.00 0.00 177.39 177.29 3d5m n GLY 493 N 1.38 0.39 3.76 -0.72 0.00 0.14 -1.34 105.19 108.79 3d5m n GLY 493 Ca 0.02 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 3d5m n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5m s VAL 494 N -3.12 4.63 0.52 1.61 1.01 -0.32 -0.27 120.40 124.46 3d5m s VAL 494 Ca 0.18 1.59 -0.20 0.00 0.00 0.00 0.00 61.98 63.55 3d5m s VAL 494 Cb -0.08 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 3d5m s VAL 494 CO 0.26 0.44 0.60 -2.65 0.00 0.00 0.00 175.10 173.75 3d5m n PRO 495 N 2.32 0.64 -1.30 2.72 -0.02 -1.26 -4.70 135.00 133.40 3d5m n PRO 495 Ca -0.04 0.24 -0.32 0.00 -2.02 0.00 0.00 63.50 61.36 3d5m n PRO 495 Cb 0.50 -1.72 0.09 0.00 -0.02 0.00 0.00 33.50 32.35 3d5m n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3d5m s PRO 496 N -1.99 2.21 0.64 0.52 0.04 -1.26 -4.82 135.00 130.34 3d5m s PRO 496 Ca 0.67 1.29 0.40 0.00 0.04 0.00 0.00 61.00 63.40 3d5m s PRO 496 Cb -0.49 -1.88 2.22 0.00 0.04 0.00 0.00 34.50 34.38 3d5m s PRO 496 CO 0.55 -1.70 2.32 -0.07 0.04 0.00 0.00 177.00 178.15 3d5m h LEU 497 N -0.94 0.00 -0.61 -3.56 3.38 -1.99 0.10 115.31 111.69 3d5m h LEU 497 Ca -0.44 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 3d5m h LEU 497 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3d5m h LEU 497 CO 0.51 0.00 0.04 0.08 0.09 0.00 0.00 178.44 179.15 3d5m h ARG 498 N 0.00 1.05 -0.63 1.13 0.11 -2.01 -2.23 114.38 111.80 3d5m h ARG 498 Ca 0.00 -0.31 -0.07 0.00 0.10 0.00 0.00 59.98 59.70 3d5m h ARG 498 Cb 0.03 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 30.98 3d5m h ARG 498 CO -0.00 1.01 0.13 0.28 0.10 0.00 0.00 179.97 181.49 3d5m h VAL 499 N 0.95 1.26 0.00 0.08 2.07 -1.15 -2.87 116.25 116.59 3d5m h VAL 499 Ca 0.18 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3d5m h VAL 499 Cb 0.51 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3d5m h VAL 499 CO 0.02 0.36 -0.07 -0.50 0.02 0.00 0.00 177.57 177.40 3d5m h TRP 500 N 0.94 0.00 -0.35 1.57 4.06 -1.36 -2.77 115.95 118.04 3d5m h TRP 500 Ca 0.19 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.07 3d5m h TRP 500 Cb 0.39 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.54 3d5m h TRP 500 CO 0.03 0.07 -0.07 -0.09 -3.56 0.00 0.00 178.44 174.82 3d5m h ARG 501 N 0.00 0.66 0.06 0.49 2.43 -1.17 -1.40 114.38 115.46 3d5m h ARG 501 Ca -0.00 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3d5m h ARG 501 Cb 0.15 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3d5m h ARG 501 CO 0.01 0.82 -0.03 1.25 -1.51 0.00 0.00 179.97 180.51 3d5m h HIS 502 N 0.45 -0.07 -1.00 2.20 2.76 -1.49 -1.33 115.15 116.67 3d5m h HIS 502 Ca 0.09 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.32 3d5m h HIS 502 Cb 0.57 0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.49 3d5m h HIS 502 CO 0.05 0.06 0.64 0.00 -1.30 0.00 0.00 177.93 177.38 3d5m h ARG 503 N -0.19 1.13 -0.60 5.26 3.08 -1.53 -1.24 114.38 120.30 3d5m h ARG 503 Ca -0.01 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3d5m h ARG 503 Cb 0.16 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3d5m h ARG 503 CO 0.01 0.75 0.10 0.00 -1.07 0.00 0.00 179.97 179.76 3d5m h ALA 504 N 1.45 0.79 -0.67 0.04 0.00 -1.05 0.98 119.26 120.80 3d5m h ALA 504 Ca 0.43 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3d5m h ALA 504 Cb 0.17 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3d5m h ALA 504 CO -0.17 0.54 0.37 0.00 0.00 0.00 0.00 179.25 179.99 3d5m h ARG 505 N 0.89 0.67 0.10 0.00 3.08 -0.39 0.26 114.38 118.98 3d5m h ARG 505 Ca 0.18 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3d5m h ARG 505 Cb 0.42 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3d5m h ARG 505 CO 0.01 0.44 -0.05 1.03 -1.07 0.00 0.00 179.97 180.34 3d5m h SER 506 N 0.69 -0.11 0.05 7.04 0.87 -0.79 -1.51 113.55 119.79 3d5m h SER 506 Ca 0.30 -0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 3d5m h SER 506 Cb 0.19 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 3d5m h SER 506 CO -0.18 0.07 -0.19 0.58 -0.53 0.00 0.00 176.83 176.58 3d5m h VAL 507 N -0.29 0.56 -0.43 2.23 2.07 -0.50 -0.35 116.25 119.54 3d5m h VAL 507 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 3d5m h VAL 507 Cb 0.24 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 30.48 3d5m h VAL 507 CO 0.02 0.00 -0.37 -0.09 0.02 0.00 0.00 177.57 177.15 3d5m h ARG 508 N -0.33 -0.26 -0.50 1.57 2.43 -0.50 0.43 114.38 117.22 3d5m h ARG 508 Ca 0.04 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3d5m h ARG 508 Cb 0.38 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 3d5m h ARG 508 CO -0.14 -0.17 0.28 0.00 -1.51 0.00 0.00 179.97 178.43 3d5m h ALA 509 N 0.67 0.64 -0.76 2.80 0.00 -0.87 0.97 119.26 122.71 3d5m h ALA 509 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3d5m h ALA 509 Cb 0.56 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3d5m h ALA 509 CO -0.57 -0.04 0.25 0.00 0.00 0.00 0.00 179.25 178.89 3d5m h ARG 510 N 0.55 1.17 -0.43 0.00 3.08 -0.66 -1.51 114.38 116.59 3d5m h ARG 510 Ca 0.21 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3d5m h ARG 510 Cb 0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3d5m h ARG 510 CO -0.12 0.98 0.08 -0.07 -1.07 0.00 0.00 179.97 179.78 3d5m h LEU 511 N 1.13 0.66 -0.58 3.04 3.38 -0.40 -3.12 115.31 119.41 3d5m h LEU 511 Ca 0.25 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3d5m h LEU 511 Cb 0.29 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3d5m h LEU 511 CO -0.01 0.74 0.32 -0.07 0.09 0.00 0.00 178.44 179.51 3d5m h LEU 512 N 0.56 0.47 0.00 1.67 4.07 -0.53 -2.29 115.31 119.26 3d5m h LEU 512 Ca 0.13 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3d5m h LEU 512 Cb 0.35 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.03 3d5m h LEU 512 CO 0.01 0.31 0.00 -1.20 -1.08 0.00 0.00 178.44 176.48 3d5m n SER 513 N -4.83 0.00 -0.00 -0.43 7.64 -0.60 -2.49 113.62 112.92 3d5m n SER 513 Ca 0.06 -0.02 0.07 0.00 1.01 0.00 0.00 58.87 59.99 3d5m n SER 513 Cb 0.14 -0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.18 3d5m n SER 513 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3d5m n GLN 514 N -1.07 1.29 -0.97 1.43 7.27 -0.87 -5.10 117.38 119.36 3d5m n GLN 514 Ca 0.02 -0.08 0.13 0.00 0.07 0.00 0.00 57.00 57.15 3d5m n GLN 514 Cb 0.01 -1.25 -0.03 0.00 2.41 0.00 0.00 30.24 31.38 3d5m n GLN 514 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3d5m n GLY 515 N 1.55 -1.80 7.00 1.69 0.00 -1.04 -4.81 105.19 107.79 3d5m n GLY 515 Ca -0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3d5m n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5m n GLY 516 N -3.26 1.95 0.32 -0.02 0.00 -1.26 -2.54 105.19 100.37 3d5m n GLY 516 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.68 3d5m n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d5m h ARG 517 N 0.00 0.77 -0.65 1.61 3.08 -1.93 -1.00 114.38 116.26 3d5m h ARG 517 Ca 0.00 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.07 3d5m h ARG 517 Cb 0.00 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 29.82 3d5m h ARG 517 CO 0.00 0.51 0.35 0.00 -1.07 0.00 0.00 179.97 179.75 3d5m h ALA 518 N 1.50 0.87 -0.66 0.04 0.00 -1.84 -1.35 119.26 117.82 3d5m h ALA 518 Ca 0.43 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 3d5m h ALA 518 Cb 0.46 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3d5m h ALA 518 CO -0.28 -0.00 0.21 0.00 0.00 0.00 0.00 179.25 179.18 3d5m h ALA 519 N 1.36 1.12 -0.55 0.00 0.00 -0.91 -1.12 119.26 119.16 3d5m h ALA 519 Ca 0.30 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3d5m h ALA 519 Cb 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3d5m h ALA 519 CO -0.20 0.60 0.34 1.15 0.00 0.00 0.00 179.25 181.15 3d5m h THR 520 N 0.97 1.08 0.17 0.00 2.02 -0.87 0.27 112.91 116.55 3d5m h THR 520 Ca 0.22 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3d5m h THR 520 Cb 0.27 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3d5m h THR 520 CO -0.01 0.12 -0.15 0.00 0.37 0.00 0.00 175.52 175.86 3d5m h GLY 522 N -0.33 0.35 0.94 0.00 0.00 -0.88 0.01 103.07 103.17 3d5m h GLY 522 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3d5m h GLY 522 CO -0.03 -0.12 -0.17 1.70 0.00 0.00 0.00 176.54 177.92 3d5m h LYS 523 N 0.06 -0.44 0.00 4.80 3.64 -0.29 -3.12 116.57 121.22 3d5m h LYS 523 Ca 0.19 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3d5m h LYS 523 Cb 0.29 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3d5m h LYS 523 CO -0.36 -0.29 -0.00 1.88 -2.27 0.00 0.00 179.45 178.41 3d5m h TYR 524 N -0.45 -0.00 0.00 1.91 -1.99 -0.58 -3.21 116.97 112.64 3d5m h TYR 524 Ca -0.03 -0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.62 3d5m h TYR 524 Cb 0.37 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 3d5m h TYR 524 CO -0.08 0.88 -0.36 -0.07 -0.00 0.00 0.00 178.16 178.53 3d5m h LEU 525 N -0.98 0.00 -2.96 3.88 3.38 -1.15 -3.30 115.31 114.17 3d5m h LEU 525 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d5m h LEU 525 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3d5m h LEU 525 CO 0.00 0.36 -0.01 0.49 0.09 0.00 0.00 178.44 179.37 3d5m n PHE 526 N -3.41 0.00 0.19 1.13 3.72 -1.18 -4.66 117.46 113.25 3d5m n PHE 526 Ca 0.00 -0.85 0.14 0.00 -0.05 0.00 0.00 57.45 56.69 3d5m n PHE 526 Cb 0.54 -0.12 0.72 0.00 -0.94 0.00 0.00 39.48 39.67 3d5m n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3d5m h ASN 527 N 0.00 0.00 0.72 4.37 -1.24 -1.63 -1.60 115.58 116.19 3d5m h ASN 527 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3d5m h ASN 527 Cb 0.89 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.94 3d5m h ASN 527 CO 0.00 0.00 0.00 4.11 -1.29 0.00 0.00 177.43 180.25 3d5m h TRP 528 N 0.00 0.00 0.17 0.67 5.08 -1.83 -3.20 115.95 116.84 3d5m h TRP 528 Ca 0.08 0.00 -0.29 0.00 1.08 0.00 0.00 58.89 59.76 3d5m h TRP 528 Cb 0.36 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.53 3d5m h TRP 528 CO 0.00 0.00 -1.31 0.00 -1.28 0.00 0.00 178.44 175.85 3d5m h ALA 529 N 2.01 0.02 -2.63 0.11 0.00 -1.65 -3.46 119.26 113.66 3d5m h ALA 529 Ca 0.00 -0.86 -0.57 0.00 0.00 0.00 0.00 54.91 53.47 3d5m h ALA 529 Cb 0.36 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3d5m h ALA 529 CO 0.00 0.86 -0.15 0.54 0.00 0.00 0.00 179.25 180.50 3d5m s VAL 530 N -2.68 4.95 0.04 0.00 0.11 -1.21 -4.85 120.40 116.76 3d5m s VAL 530 Ca -0.06 0.68 -0.12 0.00 -2.93 0.00 0.00 61.98 59.55 3d5m s VAL 530 Cb 0.06 -3.70 -0.34 0.00 -1.53 0.00 0.00 36.38 30.87 3d5m s VAL 530 CO 0.91 0.27 1.03 0.11 -3.33 0.00 0.00 175.10 174.09 3d5m h LYS 531 N 3.64 0.46 -5.33 1.54 1.57 -1.89 -3.38 116.57 113.18 3d5m h LYS 531 Ca -0.49 -0.79 -0.71 0.00 -1.87 0.00 0.00 60.65 56.79 3d5m h LYS 531 Cb 1.19 0.29 -0.13 0.00 0.08 0.00 0.00 32.23 33.67 3d5m h LYS 531 CO 0.66 1.38 1.79 -0.08 -0.57 0.00 0.00 179.45 182.62 3d5m s THR 532 N -2.62 4.56 0.01 -0.16 -1.32 -1.26 -4.99 115.64 109.86 3d5m s THR 532 Ca -0.08 -2.25 -0.30 0.00 -1.21 0.00 0.00 61.69 57.85 3d5m s THR 532 Cb 0.05 -5.06 -0.03 0.00 -1.51 0.00 0.00 72.50 65.95 3d5m s THR 532 CO 0.93 -1.83 1.03 -0.54 -2.21 0.00 0.00 174.62 171.99 3d5m s LYS 533 N 2.97 4.53 0.92 7.08 1.02 -1.26 -5.04 119.74 129.96 3d5m s LYS 533 Ca 0.48 1.49 -0.12 0.00 0.02 0.00 0.00 55.97 57.85 3d5m s LYS 533 Cb 0.01 -3.44 0.14 0.00 -0.52 0.00 0.00 37.83 34.02 3d5m s LYS 533 CO 0.04 -0.10 1.09 -0.51 -0.92 0.00 0.00 175.35 174.95 3d5m s LEU 534 N 1.06 2.15 -0.26 3.17 1.43 -1.26 -5.00 118.68 119.96 3d5m s LEU 534 Ca 0.53 1.48 -0.17 0.00 -1.03 0.00 0.00 54.13 54.94 3d5m s LEU 534 Cb -0.23 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.11 3d5m s LEU 534 CO 0.28 -2.77 0.47 -0.75 0.23 0.00 0.00 176.35 173.82 3d5m s LYS 535 N -4.91 4.06 -0.25 1.70 2.47 -1.26 -5.05 119.74 116.51 3d5m s LYS 535 Ca 0.64 0.25 -0.15 0.00 -1.56 0.00 0.00 55.97 55.15 3d5m s LYS 535 Cb -0.18 -3.65 -0.04 0.00 -1.46 0.00 0.00 37.83 32.50 3d5m s LYS 535 CO 0.57 -0.31 0.38 -0.51 0.16 0.00 0.00 175.35 175.64 3d5m s LEU 536 N 2.18 4.07 0.32 5.43 1.43 -1.26 -5.07 118.68 125.78 3d5m s LEU 536 Ca 0.20 0.35 0.10 0.00 -1.03 0.00 0.00 54.13 53.75 3d5m s LEU 536 Cb -0.16 -2.45 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 3d5m s LEU 536 CO 0.09 -0.16 -0.09 0.42 0.23 0.00 0.00 176.35 176.85 3d5m s THR 537 N 1.89 2.51 0.06 5.49 -4.23 -1.26 -5.08 115.64 115.02 3d5m s THR 537 Ca 0.16 -2.17 -0.33 0.00 -1.18 0.00 0.00 61.69 58.17 3d5m s THR 537 Cb -0.15 -2.61 -0.12 0.00 1.34 0.00 0.00 72.50 70.95 3d5m s THR 537 CO 0.09 -0.27 1.75 -2.65 -0.54 0.00 0.00 174.62 173.01 3d5m n PRO 538 N -0.80 2.31 -2.10 3.99 -0.02 -1.26 -4.90 135.00 132.22 3d5m n PRO 538 Ca -0.05 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 3d5m n PRO 538 Cb 0.62 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 3d5m n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3d5m s ILE 539 N 2.52 3.42 0.72 4.25 1.01 -1.26 -5.00 121.20 126.85 3d5m s ILE 539 Ca 0.85 0.84 -0.13 0.00 0.00 0.00 0.00 60.65 62.21 3d5m s ILE 539 Cb -0.64 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.32 3d5m s ILE 539 CO 0.43 -0.00 1.10 -2.16 0.00 0.00 0.00 174.94 174.31 3d5m s PRO 540 N 2.46 2.48 -0.09 2.79 0.04 -1.26 -3.22 135.00 138.20 3d5m s PRO 540 Ca 0.68 1.30 0.00 0.00 0.04 0.00 0.00 61.00 63.02 3d5m s PRO 540 Cb -0.35 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3d5m s PRO 540 CO 0.29 -1.49 0.00 0.00 0.04 0.00 0.00 177.00 175.84 3d5m n ALA 541 N -3.00 -0.01 0.06 8.56 0.00 -1.26 -4.75 120.51 120.12 3d5m n ALA 541 Ca 0.10 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 3d5m n ALA 541 Cb 0.52 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 3d5m n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d5m h ALA 542 N 0.00 0.32 -0.37 0.00 0.00 -1.92 -3.27 119.26 114.02 3d5m h ALA 542 Ca -0.02 -0.98 -0.13 0.00 0.00 0.00 0.00 54.91 53.78 3d5m h ALA 542 Cb 0.91 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3d5m h ALA 542 CO 0.03 1.21 -0.28 0.77 0.00 0.00 0.00 179.25 180.97 3d5m h SER 543 N 0.02 0.89 -0.87 0.00 0.02 -1.85 -3.26 113.55 108.50 3d5m h SER 543 Ca -0.09 -0.44 -0.73 0.00 -0.84 0.00 0.00 61.79 59.69 3d5m h SER 543 Cb 1.87 -0.25 -0.09 0.00 0.14 0.00 0.00 62.40 64.07 3d5m h SER 543 CO 0.15 1.14 2.72 1.67 -1.14 0.00 0.00 176.83 181.36 3d5m n GLN 544 N -4.18 4.15 -3.73 3.45 7.27 -1.23 -4.86 117.38 118.25 3d5m n GLN 544 Ca -0.02 -3.15 -0.16 0.00 0.07 0.00 0.00 57.00 53.74 3d5m n GLN 544 Cb 0.48 -2.75 -0.16 0.00 2.41 0.00 0.00 30.24 30.22 3d5m n GLN 544 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3d5m s LEU 545 N -1.07 0.58 -0.77 1.69 2.96 -1.23 -4.83 118.68 116.00 3d5m s LEU 545 Ca 0.55 0.17 -0.22 0.00 -0.22 0.00 0.00 54.13 54.42 3d5m s LEU 545 Cb 0.17 0.10 0.08 0.00 0.50 0.00 0.00 46.19 47.04 3d5m s LEU 545 CO -0.07 -0.18 1.08 -0.62 -1.32 0.00 0.00 176.35 175.24 3d5m s ASP 546 N 1.53 6.33 -0.18 3.68 3.68 -1.26 -4.80 116.67 125.65 3d5m s ASP 546 Ca -0.04 -1.29 0.16 0.00 2.13 0.00 0.00 52.55 53.51 3d5m s ASP 546 Cb -0.12 -2.44 0.62 0.00 -1.45 0.00 0.00 42.92 39.53 3d5m s ASP 546 CO -0.04 -1.37 1.52 0.18 0.13 0.00 0.00 175.17 175.59 3d5m n LEU 547 N 7.62 4.44 -4.75 -1.34 4.77 -1.26 -4.96 117.00 121.51 3d5m n LEU 547 Ca 0.08 -2.90 -0.41 0.00 -0.03 0.00 0.00 56.01 52.75 3d5m n LEU 547 Cb 0.47 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 3d5m n LEU 547 CO 0.61 0.67 1.20 -0.44 -1.33 0.00 0.00 177.39 178.10 3d5m s SER 548 N -1.48 6.43 0.00 -1.43 0.01 -1.26 -1.48 113.70 114.49 3d5m s SER 548 Ca 0.45 2.91 0.00 0.00 1.31 0.00 0.00 55.95 60.62 3d5m s SER 548 Cb 0.35 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.94 3d5m s SER 548 CO 0.12 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.52 3d5m n GLY 549 N 1.91 3.17 3.71 3.44 0.00 -1.26 -5.03 105.19 111.13 3d5m n GLY 549 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3d5m n GLY 549 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d5m s TRP 550 N -2.55 3.66 -1.27 1.61 0.52 -0.55 -4.15 118.94 116.22 3d5m s TRP 550 Ca 0.00 1.70 -0.00 0.00 0.02 0.00 0.00 56.10 57.82 3d5m s TRP 550 Cb 0.00 -3.12 -0.00 0.00 -1.15 0.00 0.00 33.47 29.20 3d5m s TRP 550 CO 0.00 -0.01 0.80 1.19 0.02 0.00 0.00 176.95 178.95 3d5m n PHE 551 N 3.88 -2.01 -0.09 -1.98 3.72 -1.26 -4.90 117.46 114.82 3d5m n PHE 551 Ca 0.06 0.87 -0.17 0.00 -0.05 0.00 0.00 57.45 58.16 3d5m n PHE 551 Cb 0.51 -4.61 -0.06 0.00 -0.94 0.00 0.00 39.48 34.38 3d5m n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3d5m n VAL 552 N -4.21 1.23 -3.98 -4.37 0.31 -1.22 -4.35 118.33 101.74 3d5m n VAL 552 Ca -0.29 -0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 63.83 3d5m n VAL 552 Cb 0.67 -1.91 -0.05 0.00 -0.91 0.00 0.00 33.84 31.65 3d5m n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d5m s ALA 553 N -2.48 -0.33 0.03 3.52 0.00 -1.22 -3.99 121.76 117.29 3d5m s ALA 553 Ca -0.26 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 3d5m s ALA 553 Cb 0.08 1.05 -0.05 0.00 0.00 0.00 0.00 23.12 24.20 3d5m s ALA 553 CO 0.35 -0.87 0.29 0.20 0.00 0.00 0.00 175.76 175.73 3d5m s GLY 554 N -3.01 2.26 -0.03 0.00 0.00 -1.26 -4.91 107.32 100.37 3d5m s GLY 554 Ca 0.21 -0.55 0.22 0.00 0.00 0.00 0.00 44.72 44.60 3d5m s GLY 554 CO 0.09 -0.37 1.16 -1.72 0.00 0.00 0.00 173.10 172.25 3d5m n TYR 555 N 0.99 0.00 -1.65 1.90 4.01 0.49 -4.49 117.16 118.40 3d5m n TYR 555 Ca -0.10 -0.59 -0.50 0.00 -0.16 0.00 0.00 57.90 56.55 3d5m n TYR 555 Cb 0.53 -0.15 -0.05 0.00 -0.31 0.00 0.00 39.34 39.35 3d5m n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3d5m n SER 556 N 0.23 2.54 0.00 7.72 2.88 -1.24 0.30 113.62 126.05 3d5m n SER 556 Ca 0.07 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 3d5m n SER 556 Cb 1.05 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 3d5m n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d5m n GLY 557 N 3.40 0.47 0.51 0.46 0.00 -1.26 -4.17 105.19 104.60 3d5m n GLY 557 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 3d5m n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5m n GLY 558 N -1.74 0.11 3.51 -0.02 0.00 0.15 -2.83 105.19 104.37 3d5m n GLY 558 Ca 0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 3d5m n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d5m n ASP 559 N 0.23 -2.39 -4.59 1.61 2.03 -1.26 -4.59 116.55 107.58 3d5m n ASP 559 Ca 0.18 -0.65 -0.34 0.00 0.52 0.00 0.00 54.79 54.50 3d5m n ASP 559 Cb 0.34 -4.90 -0.11 0.00 -0.72 0.00 0.00 41.12 35.74 3d5m n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3d5m s ILE 560 N -3.41 3.87 -0.01 5.18 -1.09 -1.26 -4.36 121.20 120.11 3d5m s ILE 560 Ca 0.08 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 3d5m s ILE 560 Cb -0.03 -2.61 0.02 0.00 -1.58 0.00 0.00 42.46 38.25 3d5m s ILE 560 CO 0.75 0.58 0.00 -0.47 -1.23 0.00 0.00 174.94 174.58 3d5m s TYR 561 N -0.64 0.14 0.00 3.97 5.04 -0.16 -0.26 117.35 125.44 3d5m s TYR 561 Ca 0.10 0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.76 3d5m s TYR 561 Cb -0.12 -0.22 0.00 0.00 0.35 0.00 0.00 41.96 41.97 3d5m s TYR 561 CO 0.02 -0.07 0.40 0.72 -1.34 0.00 0.00 175.55 175.28