#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5s s MET 2 N 0.00 4.49 0.31 -0.41 1.00 -1.26 -1.08 119.30 122.34 3h5s s MET 2 Ca 0.00 1.23 0.01 0.00 0.00 0.00 0.00 55.69 56.92 3h5s s MET 2 Cb 0.00 -2.74 0.51 0.00 0.00 0.00 0.00 34.83 32.60 3h5s s MET 2 CO 0.00 0.26 1.91 0.66 0.00 0.00 0.00 175.02 177.85 3h5s h SER 3 N 3.05 0.73 -5.01 3.03 4.64 -1.27 -3.42 113.55 115.31 3h5s h SER 3 Ca -0.47 -0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 60.63 3h5s h SER 3 Cb 1.19 -0.19 -0.19 0.00 -0.31 0.00 0.00 62.40 62.90 3h5s h SER 3 CO 0.65 0.65 -0.42 -0.31 -0.87 0.00 0.00 176.83 176.52 3h5s s TYR 4 N -5.40 0.01 0.14 4.77 2.02 -1.26 -1.14 117.35 116.48 3h5s s TYR 4 Ca -0.10 -0.11 0.10 0.00 -0.37 0.00 0.00 57.07 56.59 3h5s s TYR 4 Cb 0.16 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.67 3h5s s TYR 4 CO 0.78 -0.35 -0.24 0.95 -1.57 0.00 0.00 175.55 175.13 3h5s s THR 5 N -1.74 2.07 0.06 -0.71 -4.23 0.03 -4.87 115.64 106.25 3h5s s THR 5 Ca -0.12 -1.77 0.06 0.00 -1.18 0.00 0.00 61.69 58.69 3h5s s THR 5 Cb -0.05 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 3h5s s THR 5 CO 0.00 -0.04 -0.17 0.26 -0.54 0.00 0.00 174.62 174.13 3h5s s TRP 6 N -1.32 1.51 -0.13 3.99 0.52 -1.26 -0.67 118.94 121.58 3h5s s TRP 6 Ca 0.13 -0.39 0.17 0.00 0.02 0.00 0.00 56.10 56.04 3h5s s TRP 6 Cb -0.09 -0.87 -0.15 0.00 -1.15 0.00 0.00 33.47 31.20 3h5s s TRP 6 CO 0.06 0.10 0.75 0.25 0.02 0.00 0.00 176.95 178.13 3h5s n THR 7 N 1.58 1.10 0.00 2.01 -2.24 -0.05 -4.88 114.28 111.80 3h5s n THR 7 Ca -0.19 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 3h5s n THR 7 Cb 0.54 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 3h5s n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h5s n GLY 8 N 1.40 1.70 3.74 3.38 0.00 -1.26 -5.07 105.19 109.09 3h5s n GLY 8 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3h5s n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5s n ALA 9 N -1.33 1.56 -1.85 4.61 0.00 -1.26 -4.97 120.51 117.26 3h5s n ALA 9 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.25 3h5s n ALA 9 Cb 0.00 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.05 3h5s n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h5s s LEU 10 N -3.27 3.84 -0.42 0.00 1.43 -1.26 -4.84 118.68 114.16 3h5s s LEU 10 Ca 0.71 1.62 -0.26 0.00 -1.03 0.00 0.00 54.13 55.17 3h5s s LEU 10 Cb -0.42 -4.50 0.02 0.00 0.03 0.00 0.00 46.19 41.32 3h5s s LEU 10 CO 0.50 -0.43 0.93 -0.63 0.23 0.00 0.00 176.35 176.95 3h5s s ILE 11 N -2.32 4.51 0.20 -0.59 1.01 -1.26 -4.78 121.20 117.98 3h5s s ILE 11 Ca 0.60 0.93 0.05 0.00 0.00 0.00 0.00 60.65 62.23 3h5s s ILE 11 Cb -0.09 -4.39 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 3h5s s ILE 11 CO 0.19 -0.71 0.26 0.42 0.00 0.00 0.00 174.94 175.10 3h5s s THR 12 N 3.65 4.97 0.65 2.92 -4.23 -1.26 -4.85 115.64 117.49 3h5s s THR 12 Ca 0.38 -1.01 -0.08 0.00 -1.18 0.00 0.00 61.69 59.79 3h5s s THR 12 Cb -0.11 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.12 3h5s s THR 12 CO 0.23 -0.23 1.00 -2.16 -0.54 0.00 0.00 174.62 172.92 3h5s s PRO 13 N -3.59 2.79 -0.17 3.99 0.04 -1.26 -4.47 135.00 132.33 3h5s s PRO 13 Ca 0.33 0.15 -0.03 0.00 0.04 0.00 0.00 61.00 61.50 3h5s s PRO 13 Cb -0.09 -2.15 -0.23 0.00 0.04 0.00 0.00 34.50 32.07 3h5s s PRO 13 CO 0.27 -0.92 0.14 0.00 0.04 0.00 0.00 177.00 176.53 3h5s s ALA 15 N -2.54 2.76 0.31 0.00 0.00 -1.26 -5.10 121.76 115.92 3h5s s ALA 15 Ca -0.27 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 49.90 3h5s s ALA 15 Cb 0.08 0.68 -0.10 0.00 0.00 0.00 0.00 23.12 23.77 3h5s s ALA 15 CO 0.71 -0.31 1.43 0.00 0.00 0.00 0.00 175.76 177.58 3h5s s ALA 16 N -3.24 3.59 -0.11 0.00 0.00 -1.26 -5.00 121.76 115.75 3h5s s ALA 16 Ca 0.28 1.39 0.01 0.00 0.00 0.00 0.00 51.96 53.63 3h5s s ALA 16 Cb 0.05 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 3h5s s ALA 16 CO 0.14 -0.81 -0.12 -1.21 0.00 0.00 0.00 175.76 173.76 3h5s s GLU 17 N -1.24 3.12 -0.09 0.00 2.02 -1.26 -5.11 118.70 116.14 3h5s s GLU 17 Ca 0.55 -0.66 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 3h5s s GLU 17 Cb -0.43 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.18 3h5s s GLU 17 CO 0.51 0.37 -0.06 -1.21 0.02 0.00 0.00 175.26 174.90 3h5s s GLU 18 N -0.05 3.04 -0.12 1.61 2.02 -1.26 -5.01 118.70 118.93 3h5s s GLU 18 Ca -0.02 -0.53 0.12 0.00 0.02 0.00 0.00 54.97 54.55 3h5s s GLU 18 Cb -0.14 -2.69 -0.17 0.00 0.10 0.00 0.00 34.13 31.23 3h5s s GLU 18 CO 0.04 0.54 0.06 -1.13 0.02 0.00 0.00 175.26 174.79 3h5s n SER 19 N 2.60 1.77 -4.79 -0.19 3.41 -1.26 -4.56 113.62 110.61 3h5s n SER 19 Ca -0.18 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.04 3h5s n SER 19 Cb 0.53 0.88 -0.06 0.00 -0.26 0.00 0.00 64.21 65.30 3h5s n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h5s s LYS 20 N -2.36 4.44 -0.01 4.33 1.02 -1.26 -0.48 119.74 125.41 3h5s s LYS 20 Ca -0.06 1.00 -0.31 0.00 0.02 0.00 0.00 55.97 56.62 3h5s s LYS 20 Cb 0.04 -3.26 -0.09 0.00 -0.52 0.00 0.00 37.83 34.00 3h5s s LYS 20 CO 0.54 0.57 1.97 -0.11 -0.92 0.00 0.00 175.35 177.41 3h5s n LEU 21 N 1.73 3.94 -4.77 3.17 7.94 -1.25 -4.88 117.00 122.88 3h5s n LEU 21 Ca -0.07 0.87 -0.39 0.00 -1.11 0.00 0.00 56.01 55.31 3h5s n LEU 21 Cb 0.49 -1.49 -0.00 0.00 0.53 0.00 0.00 43.42 42.95 3h5s n LEU 21 CO 0.44 0.09 0.94 -2.84 -1.11 0.00 0.00 177.39 174.91 3h5s s PRO 22 N 4.52 3.86 -0.07 1.96 0.02 -1.26 -5.03 135.00 139.00 3h5s s PRO 22 Ca 0.91 2.11 0.05 0.00 0.02 0.00 0.00 61.00 64.08 3h5s s PRO 22 Cb -0.49 -2.66 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 3h5s s PRO 22 CO 0.44 -0.57 -0.23 0.42 -0.33 0.00 0.00 177.00 176.73 3h5s s ILE 23 N -1.31 2.23 0.00 2.83 -1.09 -1.26 -4.73 121.20 117.87 3h5s s ILE 23 Ca 0.59 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 3h5s s ILE 23 Cb -0.37 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.68 3h5s s ILE 23 CO 0.47 0.57 0.00 -0.46 -1.23 0.00 0.00 174.94 174.28 3h5s n ASN 24 N 3.05 0.59 0.07 3.58 6.94 -1.26 -5.02 115.26 123.21 3h5s n ASN 24 Ca -0.18 -0.72 0.09 0.00 -0.02 0.00 0.00 54.58 53.75 3h5s n ASN 24 Cb 0.52 0.00 0.38 0.00 -2.36 0.00 0.00 39.78 38.32 3h5s n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h5s n ALA 25 N -3.00 1.53 0.23 -2.53 0.00 -1.26 -2.92 120.51 112.57 3h5s n ALA 25 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.57 3h5s n ALA 25 Cb 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.03 3h5s n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h5s n LEU 26 N -1.87 0.24 0.07 0.00 4.77 -1.26 -4.73 117.00 114.22 3h5s n LEU 26 Ca 0.02 -0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 55.75 3h5s n LEU 26 Cb 0.16 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 3h5s n LEU 26 CO 0.14 0.06 0.73 0.28 -1.33 0.00 0.00 177.39 177.27 3h5s h SER 27 N 0.00 -0.59 0.37 -1.43 0.02 -1.87 -2.30 113.55 107.75 3h5s h SER 27 Ca 0.00 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3h5s h SER 27 Cb 0.78 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 3h5s h SER 27 CO 0.00 -0.28 -0.04 0.78 -1.14 0.00 0.00 176.83 176.15 3h5s h ASN 28 N -0.35 0.00 0.62 3.07 2.35 -1.81 -0.86 115.58 118.61 3h5s h ASN 28 Ca 0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3h5s h ASN 28 Cb 0.41 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 3h5s h ASN 28 CO -0.17 0.04 -0.11 0.77 -1.65 0.00 0.00 177.43 176.31 3h5s h SER 29 N 0.00 0.00 0.00 5.81 4.64 -1.73 -3.31 113.55 118.96 3h5s h SER 29 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3h5s h SER 29 Cb 0.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 3h5s h SER 29 CO 0.01 0.11 -2.33 -0.11 -0.87 0.00 0.00 176.83 173.64 3h5s n LEU 30 N -3.40 2.71 -3.66 5.97 7.94 -0.42 -4.67 117.00 121.48 3h5s n LEU 30 Ca -0.01 -0.03 -0.05 0.00 -1.11 0.00 0.00 56.01 54.81 3h5s n LEU 30 Cb 0.29 -0.79 -0.07 0.00 0.53 0.00 0.00 43.42 43.38 3h5s n LEU 30 CO 0.29 0.81 0.18 -0.22 -1.11 0.00 0.00 177.39 177.34 3h5s s LEU 31 N -6.57 -0.85 -0.15 -1.96 0.20 -0.67 -4.15 118.68 104.53 3h5s s LEU 31 Ca -0.32 1.31 0.19 0.00 0.69 0.00 0.00 54.13 56.00 3h5s s LEU 31 Cb 0.09 1.91 -0.27 0.00 -0.43 0.00 0.00 46.19 47.49 3h5s s LEU 31 CO 0.51 -0.22 0.18 0.54 -0.29 0.00 0.00 176.35 177.06 3h5s n ARG 32 N 5.13 0.70 -1.94 1.98 1.74 -0.52 -4.09 116.66 119.66 3h5s n ARG 32 Ca -0.13 -0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.47 3h5s n ARG 32 Cb 0.51 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 3h5s n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3h5s n HIS 33 N -2.61 3.22 0.16 -1.55 8.25 -0.62 -4.78 115.22 117.28 3h5s n HIS 33 Ca -0.25 -2.91 0.04 0.00 -0.26 0.00 0.00 57.72 54.34 3h5s n HIS 33 Cb 1.00 -2.30 0.44 0.00 1.12 0.00 0.00 29.99 30.25 3h5s n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h5s h HIS 34 N 5.81 0.15 0.00 4.41 3.86 -1.85 -2.37 115.15 125.16 3h5s h HIS 34 Ca 0.52 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.72 3h5s h HIS 34 Cb 0.61 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3h5s h HIS 34 CO 1.41 0.28 0.00 0.09 0.86 0.00 0.00 177.93 180.57 3h5s n ASN 35 N -4.31 0.25 0.11 2.45 3.02 -1.26 -2.21 115.26 113.32 3h5s n ASN 35 Ca -0.01 0.56 0.13 0.00 -0.03 0.00 0.00 54.58 55.23 3h5s n ASN 35 Cb 0.24 -0.62 0.33 0.00 -0.61 0.00 0.00 39.78 39.13 3h5s n ASN 35 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3h5s h MET 36 N 0.00 0.00 -5.54 3.52 2.86 -1.83 -3.45 114.93 110.49 3h5s h MET 36 Ca 0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 3h5s h MET 36 Cb 0.29 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.79 3h5s h MET 36 CO 0.00 0.00 -0.59 0.08 1.06 0.00 0.00 176.91 177.46 3h5s s VAL 37 N -3.13 4.55 0.10 -2.22 1.01 -0.94 -0.54 120.40 119.23 3h5s s VAL 37 Ca 0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 3h5s s VAL 37 Cb 0.12 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 3h5s s VAL 37 CO 0.63 0.53 0.14 -0.72 0.00 0.00 0.00 175.10 175.68 3h5s s TYR 38 N -0.17 0.34 0.08 5.22 1.13 -0.95 -3.81 117.35 119.19 3h5s s TYR 38 Ca 0.06 -0.79 0.05 0.00 -1.41 0.00 0.00 57.07 54.99 3h5s s TYR 38 Cb -0.12 -0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.52 3h5s s TYR 38 CO 0.02 -0.53 -0.05 0.00 -2.51 0.00 0.00 175.55 172.47 3h5s s ALA 39 N -3.91 3.11 0.39 9.51 0.00 0.36 -1.39 121.76 129.83 3h5s s ALA 39 Ca 0.09 -1.14 -0.23 0.00 0.00 0.00 0.00 51.96 50.68 3h5s s ALA 39 Cb 0.06 -1.07 -0.10 0.00 0.00 0.00 0.00 23.12 22.00 3h5s s ALA 39 CO -0.08 0.66 0.95 0.95 0.00 0.00 0.00 175.76 178.25 3h5s s THR 40 N -1.21 4.28 0.24 0.00 -4.23 -0.20 -4.50 115.64 110.01 3h5s s THR 40 Ca 0.22 1.60 0.02 0.00 -1.18 0.00 0.00 61.69 62.36 3h5s s THR 40 Cb -0.11 -3.76 -0.05 0.00 1.34 0.00 0.00 72.50 69.92 3h5s s THR 40 CO 0.14 -0.12 0.06 0.42 -0.54 0.00 0.00 174.62 174.57 3h5s s THR 41 N -1.93 0.71 0.56 3.99 -4.23 -1.26 -4.13 115.64 109.34 3h5s s THR 41 Ca 0.57 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.36 3h5s s THR 41 Cb -0.13 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.50 3h5s s THR 41 CO 0.18 -0.16 1.84 0.77 -0.54 0.00 0.00 174.62 176.71 3h5s h SER 42 N 2.45 0.00 0.03 3.99 4.64 -1.87 -1.51 113.55 121.28 3h5s h SER 42 Ca -0.38 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 3h5s h SER 42 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3h5s h SER 42 CO 0.62 0.00 -0.06 -0.09 -0.87 0.00 0.00 176.83 176.43 3h5s h ARG 43 N 0.00 0.10 -0.13 4.77 2.43 -1.95 -1.33 114.38 118.27 3h5s h ARG 43 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3h5s h ARG 43 Cb 0.63 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3h5s h ARG 43 CO 0.00 0.17 0.00 -1.13 -1.51 0.00 0.00 179.97 177.50 3h5s n SER 44 N -4.40 1.69 -0.18 -3.80 3.41 -0.57 -4.47 113.62 105.29 3h5s n SER 44 Ca -0.02 -1.66 0.04 0.00 -0.26 0.00 0.00 58.87 56.97 3h5s n SER 44 Cb 0.18 -0.08 0.32 0.00 -0.26 0.00 0.00 64.21 64.36 3h5s n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h5s h ALA 45 N 4.15 1.61 -0.75 7.33 0.00 -1.36 -2.45 119.26 127.78 3h5s h ALA 45 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h5s h ALA 45 Cb 0.51 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3h5s h ALA 45 CO 0.00 0.31 0.46 0.78 0.00 0.00 0.00 179.25 180.80 3h5s h GLY 46 N 0.84 1.08 1.13 0.00 0.00 -1.78 0.30 103.07 104.64 3h5s h GLY 46 Ca 0.29 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 3h5s h GLY 46 CO -0.08 0.42 -0.39 -2.00 0.00 0.00 0.00 176.54 174.49 3h5s h LEU 47 N 1.03 1.00 -0.91 3.11 5.85 -1.77 -2.76 115.31 120.87 3h5s h LEU 47 Ca 0.27 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 3h5s h LEU 47 Cb -0.05 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 3h5s h LEU 47 CO -0.05 1.26 0.32 -0.09 -0.34 0.00 0.00 178.44 179.54 3h5s h ARG 48 N 0.75 1.11 -0.84 1.25 9.65 -1.22 -1.81 114.38 123.28 3h5s h ARG 48 Ca 0.06 -0.18 0.07 0.00 -1.10 0.00 0.00 59.98 58.82 3h5s h ARG 48 Cb 0.99 -0.19 -0.06 0.00 -1.39 0.00 0.00 29.97 29.31 3h5s h ARG 48 CO 0.10 0.89 0.51 1.96 2.80 0.00 0.00 179.97 186.23 3h5s h GLN 49 N 1.09 0.89 -0.20 0.20 4.20 -0.86 -0.63 115.11 119.80 3h5s h GLN 49 Ca 0.25 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 3h5s h GLN 49 Cb 0.18 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3h5s h GLN 49 CO -0.02 0.59 0.10 0.87 -0.67 0.00 0.00 178.83 179.70 3h5s h LYS 50 N 0.92 0.29 -0.34 1.46 1.57 -1.14 -3.07 116.57 116.26 3h5s h LYS 50 Ca 0.37 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.06 3h5s h LYS 50 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3h5s h LYS 50 CO -0.19 0.30 -0.02 0.87 -0.57 0.00 0.00 179.45 179.84 3h5s h LYS 51 N 0.20 0.54 -0.02 3.15 1.57 -0.40 -3.06 116.57 118.56 3h5s h LYS 51 Ca 0.07 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3h5s h LYS 51 Cb 0.11 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3h5s h LYS 51 CO -0.01 0.58 -0.01 1.33 -0.57 0.00 0.00 179.45 180.78 3h5s n VAL 52 N -4.26 0.00 -3.66 0.50 0.24 -0.36 -4.79 118.33 105.99 3h5s n VAL 52 Ca 0.01 -0.26 -0.39 0.00 -2.04 0.00 0.00 64.34 61.66 3h5s n VAL 52 Cb 0.26 0.54 -0.11 0.00 -1.47 0.00 0.00 33.84 33.06 3h5s n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3h5s s THR 53 N -2.02 4.17 0.23 3.34 2.01 -1.16 -4.66 115.64 117.55 3h5s s THR 53 Ca 0.37 -1.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.05 3h5s s THR 53 Cb 0.21 -3.40 0.04 0.00 0.01 0.00 0.00 72.50 69.36 3h5s s THR 53 CO 0.34 -0.28 0.67 0.72 -0.69 0.00 0.00 174.62 175.38 3h5s s PHE 54 N 1.46 -0.31 0.12 4.92 -0.12 -1.26 -4.96 117.98 117.83 3h5s s PHE 54 Ca 0.01 -0.06 -0.25 0.00 -0.05 0.00 0.00 56.93 56.58 3h5s s PHE 54 Cb -0.20 0.64 -0.07 0.00 -0.63 0.00 0.00 43.02 42.76 3h5s s PHE 54 CO 0.04 -1.09 0.76 0.34 -0.05 0.00 0.00 175.22 175.22 3h5s s ASP 55 N -2.86 7.31 -0.16 1.98 2.15 -1.26 -0.83 116.67 123.01 3h5s s ASP 55 Ca 0.08 1.56 -0.03 0.00 0.43 0.00 0.00 52.55 54.59 3h5s s ASP 55 Cb -0.04 -2.48 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 3h5s s ASP 55 CO -0.00 0.16 -0.06 -0.13 -0.17 0.00 0.00 175.17 174.96 3h5s s ARG 56 N -0.84 3.55 -0.07 4.34 3.00 -0.24 -4.95 118.95 123.74 3h5s s ARG 56 Ca 0.36 -0.58 0.03 0.00 0.00 0.00 0.00 55.73 55.54 3h5s s ARG 56 Cb -0.22 -2.86 -0.02 0.00 0.00 0.00 0.00 34.95 31.85 3h5s s ARG 56 CO 0.25 0.17 -0.15 -0.51 0.00 0.00 0.00 175.30 175.05 3h5s s LEU 57 N 0.53 2.66 -0.08 2.53 1.02 -1.26 -4.69 118.68 119.39 3h5s s LEU 57 Ca -0.05 -0.26 0.00 0.00 0.02 0.00 0.00 54.13 53.84 3h5s s LEU 57 Cb -0.15 -1.55 0.02 0.00 0.02 0.00 0.00 46.19 44.53 3h5s s LEU 57 CO 0.03 0.28 -0.07 -1.58 0.02 0.00 0.00 176.35 175.04 3h5s s GLN 58 N -0.37 1.26 -0.30 1.70 0.74 -1.26 -4.21 119.66 117.22 3h5s s GLN 58 Ca 0.04 -0.19 -0.01 0.00 0.05 0.00 0.00 55.36 55.24 3h5s s GLN 58 Cb -0.12 -1.29 0.05 0.00 1.10 0.00 0.00 33.01 32.75 3h5s s GLN 58 CO 0.02 -0.17 -0.01 0.08 -0.55 0.00 0.00 175.29 174.67 3h5s s VAL 59 N 1.36 2.92 -0.21 1.34 1.01 -0.26 -5.04 120.40 121.52 3h5s s VAL 59 Ca -0.03 -1.42 -0.06 0.00 0.00 0.00 0.00 61.98 60.47 3h5s s VAL 59 Cb -0.14 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3h5s s VAL 59 CO -0.03 -0.11 0.02 -0.76 0.00 0.00 0.00 175.10 174.22 3h5s s LEU 60 N 1.24 3.35 0.00 3.92 1.43 -1.26 -4.32 118.68 123.04 3h5s s LEU 60 Ca -0.05 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3h5s s LEU 60 Cb -0.20 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.17 3h5s s LEU 60 CO -0.01 0.05 0.10 -0.90 0.23 0.00 0.00 176.35 175.82 3h5s n ASP 61 N 4.34 1.66 0.13 2.29 5.75 -1.26 -5.01 116.55 124.45 3h5s n ASP 61 Ca -0.17 -1.58 -0.01 0.00 -0.01 0.00 0.00 54.79 53.01 3h5s n ASP 61 Cb 0.52 0.01 0.19 0.00 -1.03 0.00 0.00 41.12 40.80 3h5s n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3h5s h ASP 62 N 0.22 0.05 -0.61 -1.12 3.32 -1.99 -2.54 116.42 113.76 3h5s h ASP 62 Ca -0.11 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.93 3h5s h ASP 62 Cb 0.38 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 3h5s h ASP 62 CO 0.17 0.62 0.38 0.45 -1.72 0.00 0.00 179.24 179.14 3h5s h HIS 63 N 0.03 0.72 -0.23 4.55 3.86 -1.96 0.17 115.15 122.30 3h5s h HIS 63 Ca -0.01 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3h5s h HIS 63 Cb 1.03 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 3h5s h HIS 63 CO 0.00 0.43 0.11 -0.92 0.86 0.00 0.00 177.93 178.41 3h5s h TYR 64 N 0.77 0.20 -0.09 2.45 3.20 -1.80 -2.10 116.97 119.59 3h5s h TYR 64 Ca 0.24 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.95 3h5s h TYR 64 Cb -0.02 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3h5s h TYR 64 CO -0.05 0.11 -0.65 0.00 -1.64 0.00 0.00 178.16 175.93 3h5s h ARG 65 N 0.23 0.37 -0.40 1.82 3.08 -1.19 -1.49 114.38 116.80 3h5s h ARG 65 Ca 0.09 -0.27 0.03 0.00 0.07 0.00 0.00 59.98 59.90 3h5s h ARG 65 Cb 0.03 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3h5s h ARG 65 CO -0.07 0.90 0.21 -0.44 -1.07 0.00 0.00 179.97 179.49 3h5s h ASP 66 N 0.27 0.31 -0.24 7.04 3.32 -0.55 0.11 116.42 126.68 3h5s h ASP 66 Ca -0.01 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3h5s h ASP 66 Cb 1.20 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3h5s h ASP 66 CO 0.11 0.23 -0.48 0.58 -1.72 0.00 0.00 179.24 177.96 3h5s h VAL 67 N 0.42 1.30 -0.45 -1.35 2.07 -1.27 -2.42 116.25 114.55 3h5s h VAL 67 Ca 0.17 -1.68 0.04 0.00 0.82 0.00 0.00 66.70 66.05 3h5s h VAL 67 Cb 0.06 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3h5s h VAL 67 CO -0.10 0.54 0.22 0.25 0.02 0.00 0.00 177.57 178.49 3h5s h LEU 68 N 0.48 0.30 -0.65 2.57 5.85 -1.15 0.43 115.31 123.15 3h5s h LEU 68 Ca 0.01 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3h5s h LEU 68 Cb 1.08 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 3h5s h LEU 68 CO 0.11 0.21 0.38 0.50 -0.34 0.00 0.00 178.44 179.30 3h5s h LYS 69 N 0.43 0.71 -0.73 1.25 3.64 -0.69 -0.78 116.57 120.42 3h5s h LYS 69 Ca 0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3h5s h LYS 69 Cb 0.12 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3h5s h LYS 69 CO -0.15 0.47 0.46 0.93 -2.27 0.00 0.00 179.45 178.89 3h5s h GLU 70 N 0.73 0.97 -0.65 1.90 5.08 -0.94 -1.85 114.58 119.83 3h5s h GLU 70 Ca 0.27 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3h5s h GLU 70 Cb 0.08 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3h5s h GLU 70 CO -0.13 0.67 0.27 0.52 -1.00 0.00 0.00 179.01 179.34 3h5s h MET 71 N 0.99 0.96 -0.18 2.33 2.86 -0.12 -2.76 114.93 119.00 3h5s h MET 71 Ca 0.26 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 3h5s h MET 71 Cb -0.07 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 3h5s h MET 71 CO -0.05 0.80 -0.27 0.87 1.06 0.00 0.00 176.91 179.32 3h5s h LYS 72 N 0.91 0.35 -0.02 1.72 1.57 -0.98 -0.80 116.57 119.31 3h5s h LYS 72 Ca 0.22 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3h5s h LYS 72 Cb 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3h5s h LYS 72 CO -0.02 0.59 -0.04 0.00 -0.57 0.00 0.00 179.45 179.41 3h5s h ALA 73 N 1.41 -0.02 -0.51 3.86 0.00 -1.11 -0.72 119.26 122.17 3h5s h ALA 73 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3h5s h ALA 73 Cb 0.64 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3h5s h ALA 73 CO 0.05 -0.53 0.19 0.87 0.00 0.00 0.00 179.25 179.83 3h5s h LYS 74 N -0.07 0.77 -0.57 0.00 1.57 -1.35 -2.85 116.57 114.08 3h5s h LYS 74 Ca 0.03 -0.15 0.12 0.00 -1.87 0.00 0.00 60.65 58.78 3h5s h LYS 74 Cb 0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3h5s h LYS 74 CO -0.06 0.70 0.39 0.00 -0.57 0.00 0.00 179.45 179.90 3h5s h ALA 75 N 1.04 2.17 0.00 3.86 0.00 -0.81 -1.73 119.26 123.79 3h5s h ALA 75 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h5s h ALA 75 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3h5s h ALA 75 CO -0.01 -0.31 0.00 0.43 0.00 0.00 0.00 179.25 179.36 3h5s n SER 76 N -4.45 0.04 0.06 0.00 7.64 -0.30 -1.66 113.62 114.94 3h5s n SER 76 Ca 0.10 0.51 0.12 0.00 1.01 0.00 0.00 58.87 60.61 3h5s n SER 76 Cb 0.45 -0.52 0.27 0.00 -1.01 0.00 0.00 64.21 63.40 3h5s n SER 76 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3h5s n THR 77 N -1.54 0.34 -2.66 0.44 -2.24 -0.65 -4.70 114.28 103.27 3h5s n THR 77 Ca 0.03 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 3h5s n THR 77 Cb 0.14 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 3h5s n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h5s s VAL 78 N -3.12 4.59 -0.18 2.28 1.01 -0.67 -4.94 120.40 119.38 3h5s s VAL 78 Ca 0.08 1.95 -0.06 0.00 0.00 0.00 0.00 61.98 63.96 3h5s s VAL 78 Cb 0.14 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3h5s s VAL 78 CO 0.68 0.20 0.01 -0.75 0.00 0.00 0.00 175.10 175.24 3h5s s LYS 79 N 0.65 3.78 0.10 2.72 2.20 -1.26 0.22 119.74 128.15 3h5s s LYS 79 Ca 0.51 -0.45 0.09 0.00 -0.36 0.00 0.00 55.97 55.76 3h5s s LYS 79 Cb -0.23 -3.08 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 3h5s s LYS 79 CO 0.29 0.20 -0.23 0.00 -0.36 0.00 0.00 175.35 175.25 3h5s s ALA 80 N 0.53 1.99 0.16 3.13 0.00 0.01 -4.93 121.76 122.64 3h5s s ALA 80 Ca -0.00 -1.28 0.06 0.00 0.00 0.00 0.00 51.96 50.74 3h5s s ALA 80 Cb -0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3h5s s ALA 80 CO 0.02 0.43 0.03 -1.59 0.00 0.00 0.00 175.76 174.65 3h5s s LYS 81 N -1.79 2.55 0.13 0.00 -2.85 -1.26 -4.42 119.74 112.10 3h5s s LYS 81 Ca 0.09 -1.00 -0.30 0.00 -1.00 0.00 0.00 55.97 53.76 3h5s s LYS 81 Cb -0.10 -2.46 -0.06 0.00 -2.06 0.00 0.00 37.83 33.15 3h5s s LYS 81 CO 0.04 0.48 0.99 -1.17 0.10 0.00 0.00 175.35 175.79 3h5s s LEU 82 N -2.87 4.51 0.37 2.77 2.96 -1.26 -4.53 118.68 120.62 3h5s s LEU 82 Ca 0.28 1.87 -0.24 0.00 -0.22 0.00 0.00 54.13 55.82 3h5s s LEU 82 Cb -0.10 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 3h5s s LEU 82 CO 0.20 -0.09 0.95 -0.76 -1.32 0.00 0.00 176.35 175.33 3h5s s LEU 83 N -0.16 4.18 0.76 -0.68 1.02 0.04 -5.04 118.68 118.80 3h5s s LEU 83 Ca 0.47 1.78 -0.12 0.00 0.02 0.00 0.00 54.13 56.28 3h5s s LEU 83 Cb -0.25 -4.23 0.05 0.00 0.02 0.00 0.00 46.19 41.78 3h5s s LEU 83 CO 0.31 -0.19 1.11 -0.94 0.02 0.00 0.00 176.35 176.66 3h5s s SER 84 N -1.84 4.47 0.27 2.29 1.04 -1.26 -4.71 113.70 113.96 3h5s s SER 84 Ca 0.55 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.93 3h5s s SER 84 Cb -0.15 -2.54 0.63 0.00 0.10 0.00 0.00 66.02 64.06 3h5s s SER 84 CO 0.19 -2.06 1.69 0.58 0.98 0.00 0.00 173.24 174.62 3h5s h VAL 85 N -0.85 0.48 -0.26 5.02 2.07 -1.97 -1.53 116.25 119.20 3h5s h VAL 85 Ca -0.45 -0.12 -0.15 0.00 0.82 0.00 0.00 66.70 66.81 3h5s h VAL 85 Cb 1.24 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3h5s h VAL 85 CO 0.51 0.06 -0.43 -0.33 0.02 0.00 0.00 177.57 177.40 3h5s h GLU 86 N 0.35 0.65 -0.48 1.57 3.07 -1.98 0.13 114.58 117.88 3h5s h GLU 86 Ca 0.51 -0.35 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 3h5s h GLU 86 Cb 0.93 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 3h5s h GLU 86 CO -0.53 0.96 0.19 0.93 -1.40 0.00 0.00 179.01 179.16 3h5s h GLU 87 N 0.53 0.72 -0.55 2.33 5.08 -1.82 -2.39 114.58 118.48 3h5s h GLU 87 Ca 0.04 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3h5s h GLU 87 Cb 0.97 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3h5s h GLU 87 CO 0.09 0.65 0.12 0.00 -1.00 0.00 0.00 179.01 178.87 3h5s h ALA 88 N 1.04 0.72 -0.64 3.43 0.00 -0.76 -2.77 119.26 120.28 3h5s h ALA 88 Ca 0.16 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3h5s h ALA 88 Cb 0.20 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3h5s h ALA 88 CO -0.01 0.43 0.38 0.00 0.00 0.00 0.00 179.25 180.05 3h5s h LYS 90 N 0.72 0.00 -0.01 0.00 1.79 -1.15 -1.06 116.57 116.85 3h5s h LYS 90 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3h5s h LYS 90 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3h5s h LYS 90 CO -0.14 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.51 3h5s n LEU 91 N -2.57 0.38 -4.67 2.94 4.77 -0.88 -4.87 117.00 112.11 3h5s n LEU 91 Ca 0.02 -0.14 -0.40 0.00 -0.03 0.00 0.00 56.01 55.46 3h5s n LEU 91 Cb 0.29 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 3h5s n LEU 91 CO 0.24 0.07 0.39 -0.89 -1.33 0.00 0.00 177.39 175.87 3h5s s THR 92 N -1.99 5.02 0.31 -5.08 2.01 -0.40 -0.81 115.64 114.70 3h5s s THR 92 Ca 0.42 1.25 -0.30 0.00 0.31 0.00 0.00 61.69 63.37 3h5s s THR 92 Cb 0.20 -3.97 -0.11 0.00 0.01 0.00 0.00 72.50 68.63 3h5s s THR 92 CO 0.33 0.13 1.58 -2.84 -0.69 0.00 0.00 174.62 173.13 3h5s s PRO 93 N 1.77 4.11 0.55 4.92 0.02 -1.26 -4.81 135.00 140.30 3h5s s PRO 93 Ca 0.30 2.59 0.30 0.00 0.02 0.00 0.00 61.00 64.21 3h5s s PRO 93 Cb -0.16 -3.01 1.46 0.00 0.02 0.00 0.00 34.50 32.81 3h5s s PRO 93 CO 0.11 -0.62 1.91 -1.35 -0.33 0.00 0.00 177.00 176.72 3h5s h PRO 94 N 4.48 0.00 -0.23 5.54 0.11 -1.96 -1.83 132.00 138.11 3h5s h PRO 94 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h5s h PRO 94 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3h5s h PRO 94 CO 0.76 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.27 3h5s n HIS 95 N -4.14 0.70 -1.66 0.65 8.25 -1.26 -4.10 115.22 113.66 3h5s n HIS 95 Ca 0.14 -0.82 -0.39 0.00 -0.26 0.00 0.00 57.72 56.39 3h5s n HIS 95 Cb 0.83 -0.24 0.04 0.00 1.12 0.00 0.00 29.99 31.74 3h5s n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h5s n SER 96 N -0.48 1.61 -4.69 0.41 2.88 -0.69 -4.89 113.62 107.78 3h5s n SER 96 Ca 0.18 0.92 -0.44 0.00 -1.33 0.00 0.00 58.87 58.20 3h5s n SER 96 Cb 0.76 -1.45 -0.03 0.00 -0.75 0.00 0.00 64.21 62.74 3h5s n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h5s n ALA 97 N -1.20 1.64 -1.59 -1.46 0.00 -1.26 -4.19 120.51 112.45 3h5s n ALA 97 Ca 0.11 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.63 3h5s n ALA 97 Cb 0.45 -2.35 0.03 0.00 0.00 0.00 0.00 19.45 17.57 3h5s n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3h5s s LYS 98 N -0.02 2.96 0.68 0.00 -2.85 -1.26 -4.56 119.74 114.69 3h5s s LYS 98 Ca 0.70 1.46 -0.15 0.00 -1.00 0.00 0.00 55.97 56.97 3h5s s LYS 98 Cb -0.61 -1.97 0.01 0.00 -2.06 0.00 0.00 37.83 33.21 3h5s s LYS 98 CO 0.45 -1.13 1.15 0.45 0.10 0.00 0.00 175.35 176.37 3h5s s SER 99 N -2.35 4.75 0.10 0.03 0.15 -0.23 -4.67 113.70 111.49 3h5s s SER 99 Ca 0.69 2.17 0.18 0.00 0.70 0.00 0.00 55.95 59.68 3h5s s SER 99 Cb -0.22 -2.57 0.76 0.00 -1.71 0.00 0.00 66.02 62.29 3h5s s SER 99 CO 0.37 -1.88 1.56 0.29 1.20 0.00 0.00 173.24 174.79 3h5s n LYS 100 N -2.47 0.08 -1.21 5.44 5.02 -1.26 -4.00 118.16 119.76 3h5s n LYS 100 Ca 0.12 0.31 -0.21 0.00 -2.02 0.00 0.00 58.31 56.51 3h5s n LYS 100 Cb 0.51 -1.64 0.14 0.00 -0.02 0.00 0.00 35.03 34.02 3h5s n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3h5s n PHE 101 N -1.78 2.48 -1.26 2.13 3.72 -1.26 -4.93 117.46 116.56 3h5s n PHE 101 Ca 0.03 -2.11 0.00 0.00 -0.05 0.00 0.00 57.45 55.32 3h5s n PHE 101 Cb 0.20 -0.87 0.00 0.00 -0.94 0.00 0.00 39.48 37.86 3h5s n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h5s n GLY 102 N -1.04 0.68 3.54 1.37 0.00 -1.26 -5.04 105.19 103.45 3h5s n GLY 102 Ca 0.51 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 3h5s n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h5s s TYR 103 N -2.00 0.04 0.07 1.61 -0.85 -1.26 -4.99 117.35 109.97 3h5s s TYR 103 Ca 0.00 -0.40 0.01 0.00 -0.52 0.00 0.00 57.07 56.16 3h5s s TYR 103 Cb 0.00 0.32 -0.00 0.00 0.38 0.00 0.00 41.96 42.66 3h5s s TYR 103 CO 0.00 -0.94 0.02 0.41 -1.52 0.00 0.00 175.55 173.53 3h5s n GLY 104 N -0.34 3.98 0.32 5.49 0.00 -1.26 -1.06 105.19 112.31 3h5s n GLY 104 Ca -0.07 -2.00 -0.06 0.00 0.00 0.00 0.00 46.02 43.89 3h5s n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5s h ALA 105 N 1.11 0.97 -0.04 4.61 0.00 -1.83 -1.54 119.26 122.54 3h5s h ALA 105 Ca -0.06 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 3h5s h ALA 105 Cb 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3h5s h ALA 105 CO 0.09 0.56 -0.54 0.87 0.00 0.00 0.00 179.25 180.24 3h5s h LYS 106 N 1.07 0.13 -0.35 0.00 1.57 -1.87 0.27 116.57 117.39 3h5s h LYS 106 Ca 0.26 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3h5s h LYS 106 Cb 0.15 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3h5s h LYS 106 CO -0.03 0.63 0.15 -0.44 -0.57 0.00 0.00 179.45 179.19 3h5s h ASP 107 N 0.10 0.19 0.31 0.86 3.32 -1.89 -0.50 116.42 118.81 3h5s h ASP 107 Ca -0.00 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3h5s h ASP 107 Cb 0.98 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3h5s h ASP 107 CO 0.08 0.15 -0.15 0.58 -1.72 0.00 0.00 179.24 178.18 3h5s h VAL 108 N 0.31 0.71 -0.48 -1.35 2.07 -0.65 -0.24 116.25 116.63 3h5s h VAL 108 Ca 0.15 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.60 3h5s h VAL 108 Cb 0.10 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3h5s h VAL 108 CO -0.13 0.03 0.32 0.03 0.02 0.00 0.00 177.57 177.83 3h5s h ARG 109 N -0.48 0.45 -0.01 1.57 3.08 -0.90 -1.09 114.38 117.01 3h5s h ARG 109 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3h5s h ARG 109 Cb 0.36 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3h5s h ARG 109 CO 0.07 0.30 -0.03 0.09 -1.07 0.00 0.00 179.97 179.33 3h5s n ASN 110 N -4.48 0.56 -2.92 7.04 3.02 -0.20 -4.78 115.26 113.50 3h5s n ASN 110 Ca 0.06 -0.99 -0.22 0.00 -0.03 0.00 0.00 54.58 53.40 3h5s n ASN 110 Cb 0.20 -0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.38 3h5s n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h5s n LEU 111 N -0.67 -2.66 -4.68 3.41 4.77 -0.41 -4.93 117.00 111.82 3h5s n LEU 111 Ca 0.20 -0.28 -0.44 0.00 -0.03 0.00 0.00 56.01 55.46 3h5s n LEU 111 Cb 0.23 -2.91 -0.02 0.00 -2.33 0.00 0.00 43.42 38.39 3h5s n LEU 111 CO 0.19 0.23 0.97 -1.54 -1.33 0.00 0.00 177.39 175.91 3h5s n SER 112 N -2.38 2.78 -0.34 -1.43 3.41 -0.14 -4.77 113.62 110.75 3h5s n SER 112 Ca -0.11 1.17 0.09 0.00 -0.26 0.00 0.00 58.87 59.76 3h5s n SER 112 Cb 0.62 -1.45 0.28 0.00 -0.26 0.00 0.00 64.21 63.40 3h5s n SER 112 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h5s h SER 113 N 3.58 0.85 -0.20 4.04 4.64 -1.91 -1.44 113.55 123.11 3h5s h SER 113 Ca -0.45 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 3h5s h SER 113 Cb 1.28 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3h5s h SER 113 CO 0.71 0.42 0.07 0.50 -0.87 0.00 0.00 176.83 177.66 3h5s h LYS 114 N 0.90 0.30 -0.14 4.77 3.64 -1.96 0.31 116.57 124.38 3h5s h LYS 114 Ca 0.50 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.86 3h5s h LYS 114 Cb 0.61 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 3h5s h LYS 114 CO -0.27 0.38 -0.06 0.00 -2.27 0.00 0.00 179.45 177.23 3h5s h ALA 115 N 0.90 0.07 -0.34 5.00 0.00 -1.72 -0.79 119.26 122.38 3h5s h ALA 115 Ca 0.06 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 3h5s h ALA 115 Cb 0.20 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3h5s h ALA 115 CO -0.00 -0.50 -0.44 0.28 0.00 0.00 0.00 179.25 178.58 3h5s h VAL 116 N -0.04 1.27 -0.60 0.00 2.07 -1.17 -0.94 116.25 116.85 3h5s h VAL 116 Ca 0.08 -1.62 0.05 0.00 0.82 0.00 0.00 66.70 66.03 3h5s h VAL 116 Cb 0.15 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3h5s h VAL 116 CO -0.17 0.53 0.33 0.78 0.02 0.00 0.00 177.57 179.06 3h5s h ASN 117 N 0.71 0.49 -0.45 0.57 2.35 -0.89 -0.77 115.58 117.59 3h5s h ASN 117 Ca 0.05 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3h5s h ASN 117 Cb 1.03 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 3h5s h ASN 117 CO 0.10 0.33 0.13 -0.74 -1.65 0.00 0.00 177.43 175.59 3h5s h HIS 118 N 0.62 0.73 -0.80 1.19 2.76 -0.71 -2.37 115.15 116.57 3h5s h HIS 118 Ca 0.26 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 3h5s h HIS 118 Cb 0.14 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.85 3h5s h HIS 118 CO -0.08 0.67 0.43 0.82 -1.30 0.00 0.00 177.93 178.46 3h5s h ILE 119 N 0.58 1.24 -0.69 6.26 2.04 -1.01 0.08 117.51 126.02 3h5s h ILE 119 Ca 0.14 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.42 3h5s h ILE 119 Cb 0.29 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3h5s h ILE 119 CO -0.00 0.27 0.43 0.45 0.00 0.00 0.00 178.15 179.30 3h5s h HIS 120 N 1.12 0.81 -0.25 1.37 3.86 -1.00 -1.25 115.15 119.79 3h5s h HIS 120 Ca 0.28 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.40 3h5s h HIS 120 Cb 0.05 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 3h5s h HIS 120 CO 0.00 0.46 -0.30 0.66 0.86 0.00 0.00 177.93 179.61 3h5s h SER 121 N 0.85 0.53 -0.33 2.45 4.64 -0.87 -1.71 113.55 119.10 3h5s h SER 121 Ca 0.28 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3h5s h SER 121 Cb 0.02 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 3h5s h SER 121 CO -0.11 0.81 0.19 0.58 -0.87 0.00 0.00 176.83 177.43 3h5s h VAL 122 N 0.45 1.13 -0.40 0.95 2.07 -0.77 -2.34 116.25 117.34 3h5s h VAL 122 Ca 0.06 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.25 3h5s h VAL 122 Cb 0.75 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3h5s h VAL 122 CO 0.06 0.14 0.23 -0.25 0.02 0.00 0.00 177.57 177.77 3h5s h TRP 123 N 0.42 0.43 -0.91 1.57 2.91 -1.00 -0.96 115.95 118.42 3h5s h TRP 123 Ca 0.12 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.15 3h5s h TRP 123 Cb 0.05 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.52 3h5s h TRP 123 CO -0.03 0.25 0.56 -0.22 -1.03 0.00 0.00 178.44 177.97 3h5s h LYS 124 N 0.47 1.22 -0.57 2.65 3.64 -1.31 -1.89 116.57 120.78 3h5s h LYS 124 Ca 0.16 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 3h5s h LYS 124 Cb 0.01 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 3h5s h LYS 124 CO -0.08 0.85 -0.00 0.22 -2.27 0.00 0.00 179.45 178.17 3h5s h ASP 125 N 1.25 0.96 -0.89 4.20 3.58 -0.84 -1.76 116.42 122.92 3h5s h ASP 125 Ca 0.33 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.52 3h5s h ASP 125 Cb -0.07 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.68 3h5s h ASP 125 CO -0.06 1.02 0.58 -0.07 -2.88 0.00 0.00 179.24 177.83 3h5s h LEU 126 N 0.91 1.03 -0.67 2.28 3.38 -0.71 -0.43 115.31 121.10 3h5s h LEU 126 Ca 0.17 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 3h5s h LEU 126 Cb 0.53 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3h5s h LEU 126 CO 0.03 0.76 -0.35 -0.07 0.09 0.00 0.00 178.44 178.90 3h5s h LEU 127 N 1.22 0.66 0.00 1.67 3.38 -0.95 -3.30 115.31 117.98 3h5s h LEU 127 Ca 0.33 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 3h5s h LEU 127 Cb -0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3h5s h LEU 127 CO -0.07 0.96 -1.40 -0.62 0.09 0.00 0.00 178.44 177.40 3h5s n GLU 128 N -4.06 0.62 -3.90 1.13 1.02 -0.70 -4.82 120.64 109.93 3h5s n GLU 128 Ca -0.01 0.21 -0.29 0.00 -0.02 0.00 0.00 57.16 57.05 3h5s n GLU 128 Cb 0.49 -1.80 -0.16 0.00 -0.02 0.00 0.00 31.44 29.95 3h5s n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h5s s ASP 129 N -5.72 2.93 -0.12 1.62 -1.08 -0.19 -5.00 116.67 109.10 3h5s s ASP 129 Ca -0.03 -0.71 0.15 0.00 -0.52 0.00 0.00 52.55 51.44 3h5s s ASP 129 Cb 0.09 -0.96 0.46 0.00 -1.46 0.00 0.00 42.92 41.05 3h5s s ASP 129 CO 0.81 -0.18 1.37 0.35 0.52 0.00 0.00 175.17 178.04 3h5s n THR 130 N 4.85 1.90 0.00 1.71 -2.24 -1.26 -4.55 114.28 114.69 3h5s n THR 130 Ca -0.12 -1.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.04 3h5s n THR 130 Cb 0.47 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3h5s n THR 130 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3h5s n VAL 131 N -0.22 0.00 -2.34 2.28 0.24 -1.26 -4.55 118.33 112.48 3h5s n VAL 131 Ca 0.18 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.06 3h5s n VAL 131 Cb 0.75 -0.48 -0.02 0.00 -1.47 0.00 0.00 33.84 32.62 3h5s n VAL 131 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3h5s s THR 132 N -1.54 4.14 0.41 3.34 2.01 -1.26 -4.84 115.64 117.89 3h5s s THR 132 Ca 0.00 1.37 -0.26 0.00 0.31 0.00 0.00 61.69 63.11 3h5s s THR 132 Cb 0.00 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 3h5s s THR 132 CO 0.00 -0.15 1.21 -2.65 -0.69 0.00 0.00 174.62 172.34 3h5s n PRO 133 N 6.77 1.82 -3.46 4.92 -0.02 -1.26 -4.71 135.00 139.05 3h5s n PRO 133 Ca 0.15 0.65 -0.38 0.00 -2.02 0.00 0.00 63.50 61.89 3h5s n PRO 133 Cb 0.45 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 3h5s n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h5s s ILE 134 N -1.19 5.02 0.42 4.25 1.01 0.11 -4.96 121.20 125.87 3h5s s ILE 134 Ca 0.61 0.88 -0.25 0.00 0.00 0.00 0.00 60.65 61.89 3h5s s ILE 134 Cb -0.53 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.12 3h5s s ILE 134 CO 0.58 0.54 1.25 -0.62 0.00 0.00 0.00 174.94 176.70 3h5s s ASP 135 N -0.86 6.25 0.12 3.58 2.15 -1.26 -4.26 116.67 122.39 3h5s s ASP 135 Ca 0.24 2.52 0.05 0.00 0.43 0.00 0.00 52.55 55.80 3h5s s ASP 135 Cb -0.17 -2.63 -0.04 0.00 -0.30 0.00 0.00 42.92 39.79 3h5s s ASP 135 CO 0.13 -0.88 -0.13 0.42 -0.17 0.00 0.00 175.17 174.55 3h5s s THR 136 N -1.35 1.21 -0.15 1.71 -4.23 -1.09 -4.30 115.64 107.44 3h5s s THR 136 Ca 0.59 -1.71 -0.08 0.00 -1.18 0.00 0.00 61.69 59.31 3h5s s THR 136 Cb -0.35 -1.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 3h5s s THR 136 CO 0.44 -0.48 0.14 -0.89 -0.54 0.00 0.00 174.62 173.29 3h5s s THR 137 N -2.29 5.47 -0.16 3.99 2.01 0.29 -0.82 115.64 124.12 3h5s s THR 137 Ca 0.08 0.21 -0.02 0.00 0.31 0.00 0.00 61.69 62.27 3h5s s THR 137 Cb -0.04 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 3h5s s THR 137 CO 0.02 0.55 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.91 3h5s s ILE 138 N -0.51 3.37 0.06 1.82 2.07 -0.28 -1.65 121.20 126.08 3h5s s ILE 138 Ca 0.12 -0.53 0.04 0.00 -1.41 0.00 0.00 60.65 58.87 3h5s s ILE 138 Cb -0.12 -2.46 -0.03 0.00 0.13 0.00 0.00 42.46 39.98 3h5s s ILE 138 CO 0.02 0.49 -0.11 -0.04 -1.91 0.00 0.00 174.94 173.39 3h5s s MET 139 N 0.65 0.68 0.13 3.50 -1.94 -0.33 -4.37 119.30 117.63 3h5s s MET 139 Ca -0.05 -0.87 -0.27 0.00 -1.71 0.00 0.00 55.69 52.80 3h5s s MET 139 Cb -0.15 -0.56 -0.07 0.00 2.01 0.00 0.00 34.83 36.06 3h5s s MET 139 CO 0.02 0.12 0.83 0.00 -0.01 0.00 0.00 175.02 175.98 3h5s s ALA 140 N -1.36 3.37 0.26 3.03 0.00 -1.26 -0.65 121.76 125.14 3h5s s ALA 140 Ca -0.06 0.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.07 3h5s s ALA 140 Cb -0.10 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 3h5s s ALA 140 CO 0.01 0.15 0.86 0.15 0.00 0.00 0.00 175.76 176.93 3h5s s LYS 141 N -0.58 4.54 -0.41 0.00 1.02 0.94 -4.82 119.74 120.43 3h5s s LYS 141 Ca 0.39 1.21 -0.12 0.00 0.02 0.00 0.00 55.97 57.47 3h5s s LYS 141 Cb -0.23 -2.96 0.05 0.00 -0.52 0.00 0.00 37.83 34.17 3h5s s LYS 141 CO 0.27 0.39 0.27 -0.80 -0.92 0.00 0.00 175.35 174.56 3h5s s ASN 142 N -1.49 5.85 0.08 2.83 0.02 -1.26 -4.33 114.94 116.63 3h5s s ASN 142 Ca 0.45 -1.17 0.03 0.00 -1.02 0.00 0.00 52.86 51.15 3h5s s ASN 142 Cb -0.20 -2.07 -0.03 0.00 0.02 0.00 0.00 41.25 38.97 3h5s s ASN 142 CO 0.25 -0.48 -0.10 -1.61 0.02 0.00 0.00 177.10 175.18 3h5s s GLU 143 N 1.56 0.76 -0.12 -0.60 2.02 -1.26 -4.89 118.70 116.17 3h5s s GLU 143 Ca 0.03 -1.05 -0.05 0.00 0.02 0.00 0.00 54.97 53.92 3h5s s GLU 143 Cb -0.21 -0.46 -0.04 0.00 0.10 0.00 0.00 34.13 33.52 3h5s s GLU 143 CO 0.06 0.07 0.08 0.08 0.02 0.00 0.00 175.26 175.57 3h5s s VAL 144 N -2.16 4.99 0.20 2.63 1.01 -1.26 -1.03 120.40 124.77 3h5s s VAL 144 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 3h5s s VAL 144 Cb -0.05 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 3h5s s VAL 144 CO -0.00 0.58 0.13 -0.36 0.00 0.00 0.00 175.10 175.45 3h5s s PHE 145 N -0.72 1.15 -0.00 5.22 0.08 -0.49 -4.75 117.98 118.48 3h5s s PHE 145 Ca 0.12 -1.37 -0.01 0.00 0.12 0.00 0.00 56.93 55.80 3h5s s PHE 145 Cb -0.12 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.73 3h5s s PHE 145 CO 0.03 -0.63 0.10 0.00 -0.10 0.00 0.00 175.22 174.62 3h5s s VAL 147 N -1.23 2.04 -1.05 0.00 -7.23 0.30 -5.00 120.40 108.23 3h5s s VAL 147 Ca 0.24 0.03 -0.10 0.00 -1.81 0.00 0.00 61.98 60.34 3h5s s VAL 147 Cb -0.12 -3.02 -0.05 0.00 0.56 0.00 0.00 36.38 33.76 3h5s s VAL 147 CO 0.15 0.00 0.86 1.67 -0.31 0.00 0.00 175.10 177.48 3h5s n GLN 148 N -0.64 -1.85 -4.24 4.82 -0.06 -1.26 -5.08 117.38 109.07 3h5s n GLN 148 Ca 0.08 0.78 -0.34 0.00 -2.00 0.00 0.00 57.00 55.52 3h5s n GLN 148 Cb 0.43 -5.24 -0.11 0.00 -4.06 0.00 0.00 30.24 21.27 3h5s n GLN 148 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3h5s s ARG 154 N -4.80 3.68 0.30 3.69 0.52 -1.26 -5.22 118.95 115.85 3h5s s ARG 154 Ca 0.43 -0.43 -0.29 0.00 -0.52 0.00 0.00 55.73 54.92 3h5s s ARG 154 Cb -0.09 -3.01 -0.09 0.00 0.52 0.00 0.00 34.95 32.28 3h5s s ARG 154 CO 0.78 0.33 1.09 0.15 0.02 0.00 0.00 175.30 177.68 3h5s s LYS 155 N 0.15 4.57 0.69 3.54 1.02 -1.26 -5.04 119.74 123.41 3h5s s LYS 155 Ca 0.01 1.76 -0.12 0.00 0.02 0.00 0.00 55.97 57.65 3h5s s LYS 155 Cb -0.13 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 3h5s s LYS 155 CO 0.02 0.16 1.07 -1.25 -0.92 0.00 0.00 175.35 174.42 3h5s s PRO 156 N -1.60 2.88 0.41 -1.68 0.04 -1.26 -4.85 135.00 128.93 3h5s s PRO 156 Ca 0.46 1.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.28 3h5s s PRO 156 Cb -0.30 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 3h5s s PRO 156 CO 0.39 -1.15 1.32 0.00 0.04 0.00 0.00 177.00 177.61 3h5s s ALA 157 N -2.92 3.28 0.64 8.56 0.00 -1.26 -4.97 121.76 125.09 3h5s s ALA 157 Ca 0.59 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.70 3h5s s ALA 157 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 3h5s s ALA 157 CO 0.52 -0.86 1.05 1.03 0.00 0.00 0.00 175.76 177.50 3h5s s ARG 158 N -2.24 3.22 -0.00 0.00 0.52 -1.26 -4.71 118.95 114.48 3h5s s ARG 158 Ca 0.57 0.98 -0.00 0.00 -0.52 0.00 0.00 55.73 56.75 3h5s s ARG 158 Cb -0.39 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 3h5s s ARG 158 CO 0.50 -0.88 0.09 -0.51 0.02 0.00 0.00 175.30 174.52 3h5s s LEU 159 N -5.12 3.92 -0.06 2.53 1.02 -1.26 -0.04 118.68 119.67 3h5s s LEU 159 Ca 0.59 0.15 0.05 0.00 0.02 0.00 0.00 54.13 54.94 3h5s s LEU 159 Cb -0.14 -2.29 -0.00 0.00 0.02 0.00 0.00 46.19 43.78 3h5s s LEU 159 CO 0.49 0.27 -0.20 -0.51 0.02 0.00 0.00 176.35 176.41 3h5s s ILE 160 N -1.20 1.71 -0.15 -0.59 1.10 0.18 -4.88 121.20 117.36 3h5s s ILE 160 Ca 0.23 -0.86 0.00 0.00 -0.51 0.00 0.00 60.65 59.51 3h5s s ILE 160 Cb -0.12 -1.46 0.03 0.00 0.15 0.00 0.00 42.46 41.05 3h5s s ILE 160 CO 0.14 0.48 -0.10 -0.69 -2.11 0.00 0.00 174.94 172.66 3h5s s VAL 161 N 0.08 1.35 -0.03 4.00 1.01 -1.26 -1.18 120.40 124.37 3h5s s VAL 161 Ca -0.07 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 3h5s s VAL 161 Cb -0.14 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.90 3h5s s VAL 161 CO 0.04 0.35 0.17 0.72 0.00 0.00 0.00 175.10 176.38 3h5s s PHE 162 N 1.56 -0.08 0.88 5.22 -0.71 -0.66 -0.95 117.98 123.24 3h5s s PHE 162 Ca 0.04 0.18 -0.12 0.00 -1.04 0.00 0.00 56.93 55.99 3h5s s PHE 162 Cb -0.13 0.01 0.16 0.00 -1.21 0.00 0.00 43.02 41.85 3h5s s PHE 162 CO -0.09 -0.21 1.22 -1.25 -1.34 0.00 0.00 175.22 173.55 3h5s s PRO 163 N -0.69 1.13 0.62 1.99 0.04 -1.26 -0.55 135.00 136.27 3h5s s PRO 163 Ca -0.08 -0.48 -0.17 0.00 0.04 0.00 0.00 61.00 60.31 3h5s s PRO 163 Cb -0.05 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 3h5s s PRO 163 CO 0.01 -2.03 1.16 0.34 0.04 0.00 0.00 177.00 176.52 3h5s s ASP 164 N -4.79 5.16 0.30 6.66 2.15 -1.26 -4.74 116.67 120.15 3h5s s ASP 164 Ca 0.70 2.22 0.05 0.00 0.43 0.00 0.00 52.55 55.95 3h5s s ASP 164 Cb -0.06 -2.58 0.81 0.00 -0.30 0.00 0.00 42.92 40.79 3h5s s ASP 164 CO 0.50 -1.60 1.66 0.25 -0.17 0.00 0.00 175.17 175.81 3h5s h LEU 165 N 0.56 0.17 -0.35 -1.34 5.85 -1.83 0.07 115.31 118.44 3h5s h LEU 165 Ca -0.49 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3h5s h LEU 165 Cb 1.27 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.49 3h5s h LEU 165 CO 0.54 -0.13 0.16 1.23 -0.34 0.00 0.00 178.44 179.91 3h5s h GLY 166 N 0.26 0.47 0.92 3.75 0.00 -1.95 -1.94 103.07 104.58 3h5s h GLY 166 Ca 0.60 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.84 3h5s h GLY 166 CO -0.63 0.08 0.59 -2.08 0.00 0.00 0.00 176.54 174.50 3h5s h VAL 167 N 0.34 1.18 -0.43 4.60 2.07 -1.37 -2.52 116.25 120.10 3h5s h VAL 167 Ca 0.15 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 3h5s h VAL 167 Cb 0.08 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 3h5s h VAL 167 CO -0.12 0.21 -0.03 0.03 0.02 0.00 0.00 177.57 177.69 3h5s h ARG 168 N 1.16 0.72 -0.47 1.57 3.08 -0.68 0.14 114.38 119.91 3h5s h ARG 168 Ca 0.35 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 3h5s h ARG 168 Cb -0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3h5s h ARG 168 CO -0.10 0.76 -0.09 0.28 -1.07 0.00 0.00 179.97 179.74 3h5s h VAL 169 N 0.67 1.26 -0.60 2.04 2.07 -1.22 -2.45 116.25 118.02 3h5s h VAL 169 Ca 0.13 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 3h5s h VAL 169 Cb 0.46 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3h5s h VAL 169 CO 0.02 0.41 0.01 0.00 0.02 0.00 0.00 177.57 178.03 3h5s h GLU 171 N 0.96 0.12 -0.19 0.00 5.08 -0.63 -2.01 114.58 117.90 3h5s h GLU 171 Ca 0.17 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3h5s h GLU 171 Cb 0.54 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 3h5s h GLU 171 CO 0.03 0.08 -0.06 0.87 -1.00 0.00 0.00 179.01 178.93 3h5s h LYS 172 N 0.12 -0.02 -0.56 2.33 1.57 -1.14 0.20 116.57 119.07 3h5s h LYS 172 Ca 0.16 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.03 3h5s h LYS 172 Cb 0.20 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 3h5s h LYS 172 CO -0.24 -0.01 0.16 0.52 -0.57 0.00 0.00 179.45 179.30 3h5s h MET 173 N -0.02 0.31 0.06 3.15 2.86 -0.84 0.02 114.93 120.46 3h5s h MET 173 Ca 0.09 -0.02 -0.26 0.00 -2.06 0.00 0.00 59.70 57.46 3h5s h MET 173 Cb 0.16 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.77 3h5s h MET 173 CO -0.21 0.20 -1.09 0.00 1.06 0.00 0.00 176.91 176.87 3h5s h ALA 174 N 1.42 0.20 0.00 6.32 0.00 -1.07 0.16 119.26 126.28 3h5s h ALA 174 Ca 0.29 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3h5s h ALA 174 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h5s h ALA 174 CO -0.33 0.81 0.00 1.28 0.00 0.00 0.00 179.25 181.01 3h5s n LEU 175 N -3.71 0.30 -0.12 0.00 4.77 0.68 -4.75 117.00 114.16 3h5s n LEU 175 Ca -0.09 -0.42 -0.08 0.00 -0.03 0.00 0.00 56.01 55.39 3h5s n LEU 175 Cb 0.92 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 3h5s n LEU 175 CO 0.54 0.07 1.03 0.22 -1.33 0.00 0.00 177.39 177.92 3h5s h TYR 176 N 0.00 0.46 -0.47 -1.77 3.20 -1.07 -0.35 116.97 116.98 3h5s h TYR 176 Ca 0.00 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 3h5s h TYR 176 Cb 0.12 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3h5s h TYR 176 CO 0.00 0.28 -0.06 0.22 -1.64 0.00 0.00 178.16 176.96 3h5s h ASP 177 N 0.50 0.80 0.35 -2.11 3.58 -1.80 -2.11 116.42 115.63 3h5s h ASP 177 Ca 0.15 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 3h5s h ASP 177 Cb -0.04 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.80 3h5s h ASP 177 CO -0.04 0.90 -0.17 0.58 -2.88 0.00 0.00 179.24 177.63 3h5s h VAL 178 N 0.75 0.67 0.00 2.25 2.07 -1.72 -2.15 116.25 118.12 3h5s h VAL 178 Ca 0.13 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3h5s h VAL 178 Cb 0.54 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3h5s h VAL 178 CO 0.03 0.05 0.00 -0.37 0.02 0.00 0.00 177.57 177.30 3h5s h VAL 179 N -0.59 0.00 0.09 2.57 -1.51 -1.05 -0.31 116.25 115.45 3h5s h VAL 179 Ca -0.05 -0.42 -0.27 0.00 -1.23 0.00 0.00 66.70 64.73 3h5s h VAL 179 Cb 0.43 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 3h5s h VAL 179 CO 0.08 0.00 -1.28 0.28 -1.23 0.00 0.00 177.57 175.42 3h5s h SER 180 N 0.00 0.28 0.00 4.19 0.02 -1.28 -3.41 113.55 113.35 3h5s h SER 180 Ca 0.00 -0.33 -0.15 0.00 -0.84 0.00 0.00 61.79 60.47 3h5s h SER 180 Cb 0.46 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3h5s h SER 180 CO 0.00 1.27 -1.55 0.35 -1.14 0.00 0.00 176.83 175.76 3h5s n THR 181 N -3.44 0.55 -0.10 -2.27 -2.24 -0.82 -4.63 114.28 101.33 3h5s n THR 181 Ca -0.09 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 3h5s n THR 181 Cb 1.01 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 3h5s n THR 181 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3h5s h LEU 182 N 0.00 0.97 -0.45 3.22 5.85 -1.29 -3.20 115.31 120.41 3h5s h LEU 182 Ca -0.22 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.08 3h5s h LEU 182 Cb 1.48 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 3h5s h LEU 182 CO 0.01 1.25 0.22 -0.65 -0.34 0.00 0.00 178.44 178.93 3h5s h PRO 183 N 0.72 0.42 -0.36 5.25 0.11 -1.81 -0.52 132.00 135.82 3h5s h PRO 183 Ca 0.05 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.03 3h5s h PRO 183 Cb 1.01 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 3h5s h PRO 183 CO 0.10 0.28 -0.20 0.37 -0.21 0.00 0.00 178.00 178.33 3h5s h GLN 184 N 0.43 0.69 -0.35 1.05 -0.00 -1.86 0.59 115.11 115.66 3h5s h GLN 184 Ca 0.20 -0.26 -0.03 0.00 -0.00 0.00 0.00 58.65 58.56 3h5s h GLN 184 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.54 3h5s h GLN 184 CO -0.15 0.84 0.10 0.28 0.00 0.00 0.00 178.83 179.91 3h5s h VAL 185 N 0.61 1.21 -0.06 2.39 2.07 -1.50 0.49 116.25 121.47 3h5s h VAL 185 Ca 0.09 -0.70 -0.19 0.00 0.82 0.00 0.00 66.70 66.72 3h5s h VAL 185 Cb 0.68 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3h5s h VAL 185 CO 0.05 0.24 -0.77 0.58 0.02 0.00 0.00 177.57 177.69 3h5s h VAL 186 N 0.42 1.39 -0.00 2.57 2.07 -0.93 -3.36 116.25 118.41 3h5s h VAL 186 Ca 0.11 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.41 3h5s h VAL 186 Cb 0.26 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3h5s h VAL 186 CO -0.00 0.67 -0.26 0.23 0.02 0.00 0.00 177.57 178.22 3h5s n MET 187 N -3.81 3.87 0.00 1.57 2.81 0.18 -4.91 117.12 116.83 3h5s n MET 187 Ca -0.05 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 3h5s n MET 187 Cb 0.73 -0.88 0.00 0.00 -0.71 0.00 0.00 33.22 32.36 3h5s n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h5s n GLY 188 N 1.03 3.19 0.18 3.03 0.00 0.17 -1.88 105.19 110.91 3h5s n GLY 188 Ca 0.02 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.19 3h5s n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h5s h SER 189 N 0.00 0.00 1.12 1.61 4.64 -1.96 -2.17 113.55 116.79 3h5s h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h5s h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3h5s h SER 189 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 3h5s n SER 190 N -2.50 0.62 -4.59 4.97 7.64 -0.79 -4.73 113.62 114.24 3h5s n SER 190 Ca 0.01 0.59 -0.43 0.00 1.01 0.00 0.00 58.87 60.06 3h5s n SER 190 Cb 0.21 -0.75 -0.02 0.00 -1.01 0.00 0.00 64.21 62.64 3h5s n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3h5s s TYR 191 N -3.15 2.57 0.29 1.43 5.04 -0.82 -1.45 117.35 121.27 3h5s s TYR 191 Ca 0.09 0.60 0.09 0.00 -2.44 0.00 0.00 57.07 55.41 3h5s s TYR 191 Cb 0.12 -4.42 0.43 0.00 0.35 0.00 0.00 41.96 38.45 3h5s s TYR 191 CO 0.50 -1.65 1.67 0.78 -1.34 0.00 0.00 175.55 175.51 3h5s h GLY 192 N 11.95 0.09 1.26 8.97 0.00 -1.42 -3.22 103.07 120.70 3h5s h GLY 192 Ca -0.25 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3h5s h GLY 192 CO 1.14 0.09 0.00 0.69 0.00 0.00 0.00 176.54 178.46 3h5s n PHE 193 N -3.92 0.00 0.67 5.60 3.72 -1.26 -2.45 117.46 119.82 3h5s n PHE 193 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 3h5s n PHE 193 Cb 0.55 -0.13 0.46 0.00 -0.94 0.00 0.00 39.48 39.42 3h5s n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h5s n GLN 194 N -1.13 0.18 -4.10 -1.08 10.64 -1.22 -3.66 117.38 117.00 3h5s n GLN 194 Ca 0.18 0.20 -0.35 0.00 -1.83 0.00 0.00 57.00 55.20 3h5s n GLN 194 Cb 0.16 -1.73 -0.09 0.00 -0.86 0.00 0.00 30.24 27.73 3h5s n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3h5s s TYR 195 N -3.10 3.30 0.96 2.61 2.02 -1.03 -4.62 117.35 117.49 3h5s s TYR 195 Ca 0.10 0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.90 3h5s s TYR 195 Cb 0.13 -1.95 0.17 0.00 -0.40 0.00 0.00 41.96 39.91 3h5s s TYR 195 CO 0.53 0.39 1.09 -1.54 -1.57 0.00 0.00 175.55 174.45 3h5s s SER 196 N -0.36 2.90 0.19 2.29 1.04 -1.26 -4.78 113.70 113.72 3h5s s SER 196 Ca 0.09 1.41 -0.13 0.00 0.48 0.00 0.00 55.95 57.80 3h5s s SER 196 Cb -0.12 -2.08 0.19 0.00 0.10 0.00 0.00 66.02 64.11 3h5s s SER 196 CO 0.02 -2.99 1.73 -0.65 0.98 0.00 0.00 173.24 172.33 3h5s h PRO 197 N -1.79 0.27 -0.70 4.02 0.11 -1.91 0.50 132.00 132.51 3h5s h PRO 197 Ca -0.52 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.67 3h5s h PRO 197 Cb 1.30 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 3h5s h PRO 197 CO 0.55 0.18 0.32 0.78 -0.21 0.00 0.00 178.00 179.62 3h5s h GLY 198 N 0.28 1.04 1.64 -0.55 0.00 -1.88 0.01 103.07 103.61 3h5s h GLY 198 Ca 0.25 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 3h5s h GLY 198 CO -0.30 0.02 -0.37 1.46 0.00 0.00 0.00 176.54 177.36 3h5s h GLN 199 N 0.54 0.40 -0.21 4.80 4.20 -1.66 -2.09 115.11 121.09 3h5s h GLN 199 Ca 0.35 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.76 3h5s h GLN 199 Cb 0.41 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 3h5s h GLN 199 CO -0.29 0.72 -0.30 -0.09 -0.67 0.00 0.00 178.83 178.20 3h5s h ARG 200 N 0.34 0.58 -0.48 1.46 2.43 -0.00 -1.29 114.38 117.41 3h5s h ARG 200 Ca 0.04 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 3h5s h ARG 200 Cb 0.81 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 3h5s h ARG 200 CO 0.07 0.94 0.25 0.28 -1.51 0.00 0.00 179.97 180.00 3h5s h VAL 201 N 0.26 1.17 -0.88 0.20 2.07 -1.01 -1.03 116.25 117.04 3h5s h VAL 201 Ca 0.02 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.16 3h5s h VAL 201 Cb 0.87 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 3h5s h VAL 201 CO 0.07 0.19 0.54 -0.08 0.02 0.00 0.00 177.57 178.30 3h5s h GLU 202 N 0.63 0.92 -0.25 1.57 4.81 -1.33 0.15 114.58 121.09 3h5s h GLU 202 Ca 0.17 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3h5s h GLU 202 Cb 0.07 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 3h5s h GLU 202 CO -0.03 0.61 -0.23 0.35 -0.73 0.00 0.00 179.01 178.99 3h5s h PHE 203 N 0.95 0.70 0.29 0.92 3.57 -0.85 -1.48 116.94 121.04 3h5s h PHE 203 Ca 0.40 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3h5s h PHE 203 Cb 0.25 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3h5s h PHE 203 CO -0.03 0.90 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.73 3h5s h LEU 204 N 0.30 -0.36 -0.29 0.59 3.38 -0.89 -1.02 115.31 117.02 3h5s h LEU 204 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3h5s h LEU 204 Cb 0.78 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3h5s h LEU 204 CO 0.06 -0.25 0.15 0.58 0.09 0.00 0.00 178.44 179.07 3h5s h VAL 205 N -0.40 1.14 -0.85 1.22 2.07 -0.98 -0.83 116.25 117.61 3h5s h VAL 205 Ca -0.04 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3h5s h VAL 205 Cb 0.32 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3h5s h VAL 205 CO 0.06 0.14 0.46 0.78 0.02 0.00 0.00 177.57 179.03 3h5s h ASN 206 N 0.35 1.07 -0.49 0.57 2.35 -1.28 -0.36 115.58 117.78 3h5s h ASN 206 Ca 0.10 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3h5s h ASN 206 Cb 0.08 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3h5s h ASN 206 CO -0.02 0.87 0.19 0.74 -1.65 0.00 0.00 177.43 177.56 3h5s h THR 207 N 1.19 1.21 -0.06 2.81 2.02 -0.92 0.65 112.91 119.82 3h5s h THR 207 Ca 0.30 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.83 3h5s h THR 207 Cb 0.04 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3h5s h THR 207 CO -0.05 0.25 -0.04 -0.25 0.37 0.00 0.00 175.52 175.80 3h5s h TRP 208 N 0.65 -0.10 -0.14 3.16 2.91 -0.92 -2.88 115.95 118.63 3h5s h TRP 208 Ca 0.16 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.16 3h5s h TRP 208 Cb 0.20 0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.90 3h5s h TRP 208 CO 0.01 -0.07 -0.06 0.87 -1.03 0.00 0.00 178.44 178.15 3h5s h LYS 209 N -0.05 0.20 0.00 2.65 1.57 -0.85 -2.87 116.57 117.21 3h5s h LYS 209 Ca 0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3h5s h LYS 209 Cb 0.11 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3h5s h LYS 209 CO -0.09 0.28 0.00 0.66 -0.57 0.00 0.00 179.45 179.73 3h5s h SER 210 N 0.20 0.00 -3.31 0.86 4.64 -0.64 -3.43 113.55 111.87 3h5s h SER 210 Ca 0.05 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.81 3h5s h SER 210 Cb 0.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 3h5s h SER 210 CO 0.01 0.00 -0.19 -0.54 -0.87 0.00 0.00 176.83 175.24 3h5s s LYS 211 N -3.88 3.74 0.01 4.77 -0.14 -1.09 -5.02 119.74 118.14 3h5s s LYS 211 Ca -0.02 0.15 -0.25 0.00 -1.36 0.00 0.00 55.97 54.49 3h5s s LYS 211 Cb 0.11 -2.76 -0.15 0.00 -1.68 0.00 0.00 37.83 33.34 3h5s s LYS 211 CO 0.43 0.40 1.16 0.87 -0.76 0.00 0.00 175.35 177.45 3h5s h LYS 212 N 2.80 -0.60 -3.88 1.68 1.57 -1.88 -3.39 116.57 112.86 3h5s h LYS 212 Ca -0.47 0.04 -0.63 0.00 -1.87 0.00 0.00 60.65 57.72 3h5s h LYS 212 Cb 1.17 0.14 -0.40 0.00 0.08 0.00 0.00 32.23 33.22 3h5s h LYS 212 CO 0.70 -0.30 -0.71 -0.80 -0.57 0.00 0.00 179.45 177.78 3h5s s ASN 213 N -4.84 4.34 0.18 0.86 -0.87 -1.26 -5.09 114.94 108.26 3h5s s ASN 213 Ca -0.14 -2.35 -0.30 0.00 -1.57 0.00 0.00 52.86 48.51 3h5s s ASN 213 Cb 0.02 -1.40 -0.07 0.00 -0.02 0.00 0.00 41.25 39.78 3h5s s ASN 213 CO 0.48 -0.33 0.99 -2.16 -2.57 0.00 0.00 177.10 173.51 3h5s s PRO 214 N 0.65 4.73 0.09 -0.60 0.04 -1.26 -0.23 135.00 138.42 3h5s s PRO 214 Ca 0.13 1.54 0.06 0.00 0.04 0.00 0.00 61.00 62.78 3h5s s PRO 214 Cb -0.21 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 3h5s s PRO 214 CO -0.08 0.29 -0.17 1.41 0.04 0.00 0.00 177.00 178.49 3h5s s MET 215 N -0.58 0.95 -0.01 4.56 1.75 -0.10 -4.72 119.30 121.16 3h5s s MET 215 Ca 0.45 -1.05 -0.08 0.00 -1.25 0.00 0.00 55.69 53.76 3h5s s MET 215 Cb -0.26 -1.06 0.01 0.00 2.84 0.00 0.00 34.83 36.35 3h5s s MET 215 CO 0.32 0.24 0.17 0.20 -0.65 0.00 0.00 175.02 175.31 3h5s s GLY 216 N -1.83 -0.02 0.04 2.11 0.00 -0.41 -0.57 107.32 106.64 3h5s s GLY 216 Ca 0.02 0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.68 3h5s s GLY 216 CO 0.03 -0.08 0.25 -0.11 0.00 0.00 0.00 173.10 173.19 3h5s s PHE 217 N -1.11 -0.03 -0.00 1.90 -0.71 -0.01 -0.48 117.98 117.54 3h5s s PHE 217 Ca -0.12 -0.14 -0.01 0.00 -1.04 0.00 0.00 56.93 55.62 3h5s s PHE 217 Cb -0.06 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.74 3h5s s PHE 217 CO 0.02 -0.46 0.11 -1.54 -1.34 0.00 0.00 175.22 172.01 3h5s s SER 218 N -2.02 5.86 -0.22 1.98 1.04 -1.26 -0.04 113.70 119.05 3h5s s SER 218 Ca -0.06 0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.54 3h5s s SER 218 Cb -0.01 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.38 3h5s s SER 218 CO -0.03 0.26 -0.07 -0.47 0.98 0.00 0.00 173.24 173.91 3h5s s TYR 219 N -1.24 2.94 -0.44 5.02 5.04 -0.51 -4.55 117.35 123.61 3h5s s TYR 219 Ca 0.24 -1.18 -0.17 0.00 -2.44 0.00 0.00 57.07 53.53 3h5s s TYR 219 Cb -0.12 -2.06 0.03 0.00 0.35 0.00 0.00 41.96 40.16 3h5s s TYR 219 CO 0.16 -0.63 0.42 0.34 -1.34 0.00 0.00 175.55 174.49 3h5s s ASP 220 N 1.42 6.17 -0.02 4.32 2.15 -1.26 -4.14 116.67 125.30 3h5s s ASP 220 Ca 0.05 -0.87 -0.27 0.00 0.43 0.00 0.00 52.55 51.89 3h5s s ASP 220 Cb -0.14 -2.21 -0.04 0.00 -0.30 0.00 0.00 42.92 40.23 3h5s s ASP 220 CO -0.05 -0.59 0.84 -0.89 -0.17 0.00 0.00 175.17 174.31 3h5s s THR 221 N 1.99 4.91 -0.03 1.71 2.01 -1.26 -0.62 115.64 124.35 3h5s s THR 221 Ca 0.09 1.77 -0.30 0.00 0.31 0.00 0.00 61.69 63.56 3h5s s THR 221 Cb -0.19 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.08 3h5s s THR 221 CO 0.11 0.22 1.63 -0.60 -0.69 0.00 0.00 174.62 175.30 3h5s s ARG 222 N 0.78 4.19 -1.11 4.92 3.52 -0.15 -3.92 118.95 127.18 3h5s s ARG 222 Ca 0.45 2.19 -0.24 0.00 -0.13 0.00 0.00 55.73 57.99 3h5s s ARG 222 Cb -0.20 -3.90 0.03 0.00 -1.56 0.00 0.00 34.95 29.32 3h5s s ARG 222 CO 0.24 -0.81 0.69 0.00 -0.81 0.00 0.00 175.30 174.61 3h5s h PHE 224 N -1.94 0.90 -0.85 0.00 3.04 -1.95 -1.76 116.94 114.37 3h5s h PHE 224 Ca -0.67 0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.35 3h5s h PHE 224 Cb 1.39 -0.26 -0.05 0.00 2.56 0.00 0.00 35.95 39.58 3h5s h PHE 224 CO 0.33 0.23 0.54 -0.44 -2.02 0.00 0.00 178.31 176.95 3h5s h ASP 225 N 0.71 0.90 1.22 0.41 5.19 -1.91 -1.57 116.42 121.36 3h5s h ASP 225 Ca 0.50 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.91 3h5s h ASP 225 Cb 0.71 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.02 3h5s h ASP 225 CO -0.36 0.61 0.00 0.28 -3.12 0.00 0.00 179.24 176.66 3h5s h SER 226 N 1.05 0.00 1.29 6.45 0.02 -1.62 -2.36 113.55 118.39 3h5s h SER 226 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3h5s h SER 226 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3h5s h SER 226 CO -0.12 0.00 -0.24 0.71 -1.14 0.00 0.00 176.83 176.04 3h5s h THR 227 N 0.00 0.00 -2.85 -2.27 1.35 -1.04 -3.44 112.91 104.65 3h5s h THR 227 Ca 0.00 -0.53 -0.56 0.00 -0.55 0.00 0.00 66.41 64.76 3h5s h THR 227 Cb 0.61 1.38 -0.03 0.00 -1.73 0.00 0.00 68.15 68.37 3h5s h THR 227 CO 0.00 0.00 1.04 -0.69 -0.25 0.00 0.00 175.52 175.62 3h5s s VAL 228 N -3.14 3.91 0.59 6.82 1.01 -1.10 -4.76 120.40 123.73 3h5s s VAL 228 Ca 0.09 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.16 3h5s s VAL 228 Cb 0.12 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.74 3h5s s VAL 228 CO 0.65 -0.26 0.82 0.42 0.00 0.00 0.00 175.10 176.73 3h5s s THR 229 N 4.44 2.43 0.22 3.92 -4.23 -1.26 -3.80 115.64 117.35 3h5s s THR 229 Ca 0.65 -0.77 -0.08 0.00 -1.18 0.00 0.00 61.69 60.30 3h5s s THR 229 Cb -0.24 -2.65 0.18 0.00 1.34 0.00 0.00 72.50 71.13 3h5s s THR 229 CO 0.25 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 176.07 3h5s h GLU 230 N -0.01 1.19 -0.46 3.99 4.81 -1.88 -2.16 114.58 120.06 3h5s h GLU 230 Ca -0.37 -0.16 0.09 0.00 -0.13 0.00 0.00 59.36 58.79 3h5s h GLU 230 Cb 1.28 -0.22 -0.07 0.00 0.63 0.00 0.00 28.75 30.37 3h5s h GLU 230 CO 0.44 0.90 0.01 -0.97 -0.73 0.00 0.00 179.01 178.66 3h5s h ASN 231 N 1.18 -0.18 -0.82 1.04 -1.24 -1.97 -0.29 115.58 113.30 3h5s h ASN 231 Ca 0.29 0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.41 3h5s h ASN 231 Cb 0.08 0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.27 3h5s h ASN 231 CO -0.04 -0.05 0.51 0.44 -1.29 0.00 0.00 177.43 177.00 3h5s h ASP 232 N 0.12 0.97 0.43 1.15 3.32 -1.79 0.09 116.42 120.72 3h5s h ASP 232 Ca 0.23 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 3h5s h ASP 232 Cb 0.34 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3h5s h ASP 232 CO -0.38 0.74 -0.73 0.40 -1.72 0.00 0.00 179.24 177.55 3h5s h ILE 233 N 1.12 1.43 -0.40 0.35 2.04 -0.95 -1.10 117.51 120.00 3h5s h ILE 233 Ca 0.30 -2.25 -0.12 0.00 1.00 0.00 0.00 64.86 63.79 3h5s h ILE 233 Cb -0.07 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3h5s h ILE 233 CO -0.06 0.66 -0.24 0.03 0.00 0.00 0.00 178.15 178.54 3h5s h ARG 234 N 0.17 0.81 -0.23 2.37 3.08 -0.72 -2.10 114.38 117.76 3h5s h ARG 234 Ca -0.02 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 3h5s h ARG 234 Cb 1.29 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 3h5s h ARG 234 CO 0.11 0.97 0.05 0.28 -1.07 0.00 0.00 179.97 180.31 3h5s h VAL 235 N 0.70 1.21 -0.50 2.04 2.07 -0.78 0.17 116.25 121.16 3h5s h VAL 235 Ca 0.09 -0.70 0.10 0.00 0.82 0.00 0.00 66.70 67.01 3h5s h VAL 235 Cb 0.77 1.24 -0.10 0.00 -1.52 0.00 0.00 31.29 31.68 3h5s h VAL 235 CO 0.06 0.22 -0.18 -0.33 0.02 0.00 0.00 177.57 177.37 3h5s h GLU 236 N 0.19 -0.06 -0.64 1.57 5.08 -1.21 -1.14 114.58 118.37 3h5s h GLU 236 Ca 0.07 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3h5s h GLU 236 Cb 0.29 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3h5s h GLU 236 CO 0.00 -0.04 0.38 1.49 -1.00 0.00 0.00 179.01 179.85 3h5s h GLU 237 N -0.06 0.72 -0.35 2.33 4.81 -0.87 -1.45 114.58 119.71 3h5s h GLU 237 Ca 0.24 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3h5s h GLU 237 Cb 0.43 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3h5s h GLU 237 CO -0.55 0.48 0.15 0.66 -0.73 0.00 0.00 179.01 179.01 3h5s h SER 238 N 0.74 0.43 -0.04 1.04 4.64 -0.15 -0.06 113.55 120.16 3h5s h SER 238 Ca 0.27 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3h5s h SER 238 Cb 0.07 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3h5s h SER 238 CO -0.13 0.39 0.00 0.40 -0.87 0.00 0.00 176.83 176.63 3h5s h ILE 239 N 0.49 1.22 -0.74 0.95 2.04 -0.43 -2.57 117.51 118.47 3h5s h ILE 239 Ca 0.12 -0.67 0.08 0.00 1.00 0.00 0.00 64.86 65.39 3h5s h ILE 239 Cb 0.09 1.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 3h5s h ILE 239 CO -0.01 0.18 0.40 1.88 0.00 0.00 0.00 178.15 180.59 3h5s h TYR 240 N -0.21 0.72 0.00 1.37 0.05 -0.83 -1.47 116.97 116.60 3h5s h TYR 240 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3h5s h TYR 240 Cb 0.29 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3h5s h TYR 240 CO 0.02 0.30 0.00 1.96 -1.05 0.00 0.00 178.16 179.39 3h5s h GLN 241 N 0.69 0.00 0.00 4.88 1.08 -0.93 -2.20 115.11 118.63 3h5s h GLN 241 Ca 0.35 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.53 3h5s h GLN 241 Cb 0.31 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3h5s h GLN 241 CO -0.24 0.00 -0.11 0.00 -0.95 0.00 0.00 178.83 177.53 3h5s s ASP 244 N -1.92 6.50 0.05 0.00 -1.08 0.13 -4.97 116.67 115.38 3h5s s ASP 244 Ca 0.74 0.66 0.04 0.00 -0.52 0.00 0.00 52.55 53.48 3h5s s ASP 244 Cb -0.31 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.58 3h5s s ASP 244 CO 0.49 -1.33 -0.11 -0.76 0.52 0.00 0.00 175.17 173.98 3h5s s LEU 245 N 4.91 2.25 0.51 -1.34 1.43 -1.26 -0.81 118.68 124.36 3h5s s LEU 245 Ca 0.54 -0.56 -0.23 0.00 -1.03 0.00 0.00 54.13 52.86 3h5s s LEU 245 Cb -0.10 -0.36 -0.06 0.00 0.03 0.00 0.00 46.19 45.69 3h5s s LEU 245 CO 0.32 -0.12 1.35 0.00 0.23 0.00 0.00 176.35 178.13 3h5s s ALA 246 N -1.24 2.95 0.27 4.21 0.00 -1.26 -4.84 121.76 121.84 3h5s s ALA 246 Ca -0.05 1.31 -0.00 0.00 0.00 0.00 0.00 51.96 53.22 3h5s s ALA 246 Cb -0.10 -3.55 0.61 0.00 0.00 0.00 0.00 23.12 20.08 3h5s s ALA 246 CO 0.01 -1.23 1.69 -1.35 0.00 0.00 0.00 175.76 174.88 3h5s h PRO 247 N 1.77 0.33 -0.33 0.00 0.11 -2.01 -0.53 132.00 131.34 3h5s h PRO 247 Ca -0.51 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 3h5s h PRO 247 Cb 1.28 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3h5s h PRO 247 CO 0.59 0.22 -0.05 0.93 -0.21 0.00 0.00 178.00 179.47 3h5s h GLU 248 N 0.34 0.53 -0.59 1.05 5.08 -2.00 -2.60 114.58 116.40 3h5s h GLU 248 Ca 0.50 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3h5s h GLU 248 Cb 0.90 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 3h5s h GLU 248 CO -0.53 0.59 0.16 0.00 -1.00 0.00 0.00 179.01 178.23 3h5s h ALA 249 N 1.45 0.77 -0.13 3.43 0.00 -1.50 -0.94 119.26 122.34 3h5s h ALA 249 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h5s h ALA 249 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3h5s h ALA 249 CO 0.02 0.46 0.08 0.00 0.00 0.00 0.00 179.25 179.81 3h5s h ARG 250 N 0.84 0.18 -0.02 0.00 3.08 -1.06 -1.05 114.38 116.36 3h5s h ARG 250 Ca 0.19 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.23 3h5s h ARG 250 Cb 0.33 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3h5s h ARG 250 CO -0.00 0.18 -0.05 0.37 -1.07 0.00 0.00 179.97 179.41 3h5s h GLN 251 N 0.13 -0.07 -0.54 0.04 5.75 -1.43 -0.71 115.11 118.28 3h5s h GLN 251 Ca 0.05 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3h5s h GLN 251 Cb 0.05 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 3h5s h GLN 251 CO -0.01 -0.05 0.33 0.00 -2.65 0.00 0.00 178.83 176.45 3h5s h ALA 252 N 0.94 1.57 -0.08 3.38 0.00 -1.04 -0.37 119.26 123.65 3h5s h ALA 252 Ca 0.03 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 3h5s h ALA 252 Cb 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3h5s h ALA 252 CO -0.06 0.38 -0.78 0.82 0.00 0.00 0.00 179.25 179.61 3h5s h ILE 253 N 0.74 1.35 -0.32 0.00 2.04 -0.90 0.84 117.51 121.26 3h5s h ILE 253 Ca 0.20 -2.14 -0.01 0.00 1.00 0.00 0.00 64.86 63.91 3h5s h ILE 253 Cb -0.04 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3h5s h ILE 253 CO -0.04 0.65 0.18 0.50 0.00 0.00 0.00 178.15 179.44 3h5s h LYS 254 N 0.34 0.45 -0.16 2.37 3.64 -0.60 -1.81 116.57 120.81 3h5s h LYS 254 Ca -0.05 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3h5s h LYS 254 Cb 1.38 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 3h5s h LYS 254 CO 0.14 0.38 0.05 1.03 -2.27 0.00 0.00 179.45 178.79 3h5s h SER 255 N 0.40 0.22 -0.73 4.20 0.87 -0.95 0.23 113.55 117.80 3h5s h SER 255 Ca 0.11 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 3h5s h SER 255 Cb 0.06 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 3h5s h SER 255 CO -0.02 0.35 0.37 -0.07 -0.53 0.00 0.00 176.83 176.94 3h5s h LEU 256 N 0.08 0.94 -0.05 2.23 3.38 -0.86 0.14 115.31 121.16 3h5s h LEU 256 Ca 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3h5s h LEU 256 Cb 0.21 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3h5s h LEU 256 CO -0.00 0.78 0.01 0.74 0.09 0.00 0.00 178.44 180.06 3h5s h THR 257 N 1.05 1.20 -0.64 0.22 2.02 -1.02 0.18 112.91 115.90 3h5s h THR 257 Ca 0.26 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 3h5s h THR 257 Cb 0.08 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3h5s h THR 257 CO -0.04 0.16 0.08 -0.33 0.37 0.00 0.00 175.52 175.76 3h5s h GLU 258 N -0.14 1.08 0.00 6.66 4.39 -0.73 -2.12 114.58 123.72 3h5s h GLU 258 Ca 0.02 -0.31 -0.11 0.00 0.34 0.00 0.00 59.36 59.30 3h5s h GLU 258 Cb 0.25 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3h5s h GLU 258 CO 0.00 1.01 -1.86 0.54 -1.16 0.00 0.00 179.01 177.55 3h5s n ARG 259 N -4.22 0.65 0.07 2.33 1.74 0.02 -4.64 116.66 112.61 3h5s n ARG 259 Ca 0.04 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3h5s n ARG 259 Cb 0.31 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3h5s n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3h5s n LEU 260 N -2.53 0.62 -0.07 0.55 7.94 0.13 0.07 117.00 123.71 3h5s n LEU 260 Ca -0.11 0.21 -0.06 0.00 -1.11 0.00 0.00 56.01 54.95 3h5s n LEU 260 Cb 0.74 -0.09 0.14 0.00 0.53 0.00 0.00 43.42 44.74 3h5s n LEU 260 CO 0.44 -0.67 0.76 1.88 -1.11 0.00 0.00 177.39 178.69 3h5s h TYR 261 N 0.00 0.79 -0.30 1.96 0.05 -0.73 -2.90 116.97 115.83 3h5s h TYR 261 Ca 0.00 -0.15 -0.09 0.00 0.05 0.00 0.00 58.73 58.53 3h5s h TYR 261 Cb 0.11 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 3h5s h TYR 261 CO 0.00 0.83 -0.21 0.82 -1.05 0.00 0.00 178.16 178.55 3h5s h ILE 262 N 0.64 1.26 0.00 -2.88 2.04 -1.63 -3.42 117.51 113.53 3h5s h ILE 262 Ca 0.10 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3h5s h ILE 262 Cb 0.63 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3h5s h ILE 262 CO 0.04 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.20 3h5s n GLY 263 N -0.41 -0.82 0.00 5.37 0.00 -1.10 -3.89 105.19 104.34 3h5s n GLY 263 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3h5s n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5s n GLY 264 N -0.69 1.89 3.75 -0.02 0.00 -0.12 -4.17 105.19 105.82 3h5s n GLY 264 Ca 0.00 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 3h5s n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h5s s PRO 265 N -2.00 2.77 -0.18 1.61 0.04 -1.26 -0.73 135.00 135.25 3h5s s PRO 265 Ca 0.00 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.69 3h5s s PRO 265 Cb 0.00 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.65 3h5s s PRO 265 CO 0.00 -1.32 -0.11 -0.51 0.04 0.00 0.00 177.00 175.09 3h5s s LEU 266 N -4.54 1.99 -0.10 -3.56 1.43 -0.18 -2.68 118.68 111.05 3h5s s LEU 266 Ca 0.73 -0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3h5s s LEU 266 Cb -0.26 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 3h5s s LEU 266 CO 0.38 -0.11 -0.19 -0.89 0.23 0.00 0.00 176.35 175.77 3h5s s THR 267 N 1.45 2.59 0.94 5.49 2.01 -0.00 0.15 115.64 128.27 3h5s s THR 267 Ca 0.01 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 61.02 3h5s s THR 267 Cb -0.15 -2.02 0.17 0.00 0.01 0.00 0.00 72.50 70.51 3h5s s THR 267 CO -0.09 0.55 1.23 0.54 -0.69 0.00 0.00 174.62 176.16 3h5s s ASN 268 N 0.08 3.30 0.36 3.53 2.20 -0.22 -1.12 114.94 123.07 3h5s s ASN 268 Ca -0.08 0.55 0.26 0.00 -0.94 0.00 0.00 52.86 52.65 3h5s s ASN 268 Cb -0.15 -0.82 1.25 0.00 -2.00 0.00 0.00 41.25 39.53 3h5s s ASN 268 CO 0.05 -2.64 1.79 0.77 -2.94 0.00 0.00 177.10 174.13 3h5s h SER 269 N -1.57 0.00 -0.25 3.54 4.64 -1.78 -1.16 113.55 116.97 3h5s h SER 269 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3h5s h SER 269 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3h5s h SER 269 CO 0.49 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.74 3h5s n LYS 270 N -2.43 2.14 -0.65 4.77 5.02 -1.26 -4.95 118.16 120.80 3h5s n LYS 270 Ca -0.00 -1.71 0.00 0.00 -2.02 0.00 0.00 58.31 54.58 3h5s n LYS 270 Cb 0.14 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3h5s n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h5s n GLY 271 N 1.32 0.69 3.83 0.72 0.00 -0.44 -5.06 105.19 106.25 3h5s n GLY 271 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3h5s n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h5s s GLN 272 N -0.35 3.98 -0.05 1.61 -0.21 -1.26 -4.81 119.66 118.57 3h5s s GLN 272 Ca 0.00 0.49 -0.30 0.00 0.02 0.00 0.00 55.36 55.57 3h5s s GLN 272 Cb 0.00 -3.22 -0.05 0.00 1.00 0.00 0.00 33.01 30.74 3h5s s GLN 272 CO 0.00 0.68 1.48 1.21 -2.12 0.00 0.00 175.29 176.54 3h5s s ASN 273 N -1.09 6.79 -0.02 5.90 2.47 -1.26 -1.06 114.94 126.67 3h5s s ASN 273 Ca 0.25 2.08 0.22 0.00 0.42 0.00 0.00 52.86 55.83 3h5s s ASN 273 Cb -0.17 -2.55 -0.30 0.00 -1.45 0.00 0.00 41.25 36.79 3h5s s ASN 273 CO 0.15 -0.81 0.64 0.00 -3.72 0.00 0.00 177.10 173.35 3h5s n GLY 275 N 1.35 0.32 3.27 0.00 0.00 -1.20 -0.87 105.19 108.07 3h5s n GLY 275 Ca -0.01 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 3h5s n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h5s s TYR 276 N -4.00 -0.54 -0.10 1.61 5.04 0.15 -1.01 117.35 118.50 3h5s s TYR 276 Ca 0.00 1.21 -0.04 0.00 -2.44 0.00 0.00 57.07 55.80 3h5s s TYR 276 Cb 0.00 0.22 -0.04 0.00 0.35 0.00 0.00 41.96 42.50 3h5s s TYR 276 CO 0.00 -0.30 0.07 0.50 -1.34 0.00 0.00 175.55 174.48 3h5s s ARG 277 N 1.00 3.19 -0.14 4.97 3.52 0.10 -0.79 118.95 130.79 3h5s s ARG 277 Ca -0.06 -0.29 0.20 0.00 -0.13 0.00 0.00 55.73 55.44 3h5s s ARG 277 Cb -0.07 -2.97 0.45 0.00 -1.56 0.00 0.00 34.95 30.81 3h5s s ARG 277 CO -0.08 0.73 1.17 0.54 -0.81 0.00 0.00 175.30 176.85 3h5s n ARG 278 N 2.02 1.21 -2.36 5.12 1.74 -0.29 -0.95 116.66 123.16 3h5s n ARG 278 Ca -0.19 -2.92 -0.04 0.00 -0.77 0.00 0.00 57.85 53.94 3h5s n ARG 278 Cb 0.54 -1.03 -0.01 0.00 -1.02 0.00 0.00 32.46 30.94 3h5s n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h5s n ARG 280 N -0.12 2.80 -2.53 0.00 3.00 -0.91 -4.59 116.66 114.30 3h5s n ARG 280 Ca 0.01 1.01 -0.42 0.00 -0.00 0.00 0.00 57.85 58.46 3h5s n ARG 280 Cb 0.12 -2.89 -0.03 0.00 0.00 0.00 0.00 32.46 29.66 3h5s n ARG 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h5s s ALA 281 N 2.01 3.32 -0.77 5.13 0.00 -1.26 -4.74 121.76 125.44 3h5s s ALA 281 Ca 0.79 0.71 0.25 0.00 0.00 0.00 0.00 51.96 53.70 3h5s s ALA 281 Cb -0.49 -3.41 0.93 0.00 0.00 0.00 0.00 23.12 20.15 3h5s s ALA 281 CO 0.35 -0.40 1.77 -1.13 0.00 0.00 0.00 175.76 176.35 3h5s n SER 282 N 4.06 0.50 -2.39 0.00 3.41 -1.25 -4.00 113.62 113.96 3h5s n SER 282 Ca 0.08 0.57 -0.23 0.00 -0.26 0.00 0.00 58.87 59.03 3h5s n SER 282 Cb 0.48 -0.69 0.01 0.00 -0.26 0.00 0.00 64.21 63.75 3h5s n SER 282 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h5s n GLY 283 N 0.96 5.43 3.45 5.00 0.00 -0.12 -4.16 105.19 115.75 3h5s n GLY 283 Ca 0.05 -2.50 -0.22 0.00 0.00 0.00 0.00 46.02 43.35 3h5s n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h5s s VAL 284 N -4.93 2.01 0.34 1.61 -7.23 -1.10 -4.37 120.40 106.72 3h5s s VAL 284 Ca 0.46 -2.24 0.06 0.00 -1.81 0.00 0.00 61.98 58.45 3h5s s VAL 284 Cb 0.40 -2.36 0.30 0.00 0.56 0.00 0.00 36.38 35.29 3h5s s VAL 284 CO -0.09 -0.37 1.89 0.25 -0.31 0.00 0.00 175.10 176.47 3h5s h LEU 285 N 2.28 0.73 -0.95 1.32 5.85 -1.79 -2.49 115.31 120.26 3h5s h LEU 285 Ca -0.40 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3h5s h LEU 285 Cb 1.24 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3h5s h LEU 285 CO 0.65 0.41 0.00 0.35 -0.34 0.00 0.00 178.44 179.51 3h5s n THR 286 N -4.54 0.11 -0.16 1.05 -2.24 -1.26 -4.32 114.28 102.93 3h5s n THR 286 Ca 0.15 -0.28 -0.04 0.00 -2.27 0.00 0.00 64.05 61.62 3h5s n THR 286 Cb 0.36 0.34 0.05 0.00 -2.10 0.00 0.00 70.33 68.98 3h5s n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3h5s h THR 287 N 2.05 0.88 0.03 4.28 2.02 -1.69 0.20 112.91 120.68 3h5s h THR 287 Ca 0.00 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3h5s h THR 287 Cb 0.44 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3h5s h THR 287 CO 0.00 0.07 -0.02 -1.28 0.37 0.00 0.00 175.52 174.67 3h5s h SER 288 N 0.40 -0.04 -0.23 4.18 0.87 -1.75 -1.29 113.55 115.68 3h5s h SER 288 Ca 0.23 -0.59 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 3h5s h SER 288 Cb 0.20 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3h5s h SER 288 CO -0.21 0.60 0.13 0.00 -0.53 0.00 0.00 176.83 176.82 3h5s h GLY 290 N 0.27 0.39 1.02 0.00 0.00 -0.68 -1.47 103.07 102.61 3h5s h GLY 290 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 3h5s h GLY 290 CO -0.01 0.09 0.39 3.43 0.00 0.00 0.00 176.54 180.43 3h5s h ASN 291 N 0.31 1.00 -0.24 0.19 4.21 -1.06 -1.41 115.58 118.57 3h5s h ASN 291 Ca 0.12 -0.12 -0.04 0.00 1.21 0.00 0.00 56.30 57.46 3h5s h ASN 291 Cb 0.03 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 36.97 3h5s h ASN 291 CO -0.08 0.84 -0.02 0.74 -1.29 0.00 0.00 177.43 177.62 3h5s h THR 292 N 1.08 1.27 -0.28 2.81 2.02 -0.62 -0.41 112.91 118.78 3h5s h THR 292 Ca 0.27 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 3h5s h THR 292 Cb 0.09 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3h5s h THR 292 CO -0.04 0.30 0.07 -0.07 0.37 0.00 0.00 175.52 176.15 3h5s h LEU 293 N 0.21 0.43 -0.31 2.58 3.38 -1.22 0.05 115.31 120.43 3h5s h LEU 293 Ca 0.07 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 3h5s h LEU 293 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3h5s h LEU 293 CO 0.02 0.55 -0.18 0.74 0.09 0.00 0.00 178.44 179.66 3h5s h THR 294 N 0.29 1.29 -0.36 0.22 2.02 -1.21 0.64 112.91 115.81 3h5s h THR 294 Ca 0.09 -1.30 0.03 0.00 0.77 0.00 0.00 66.41 66.00 3h5s h THR 294 Cb 0.29 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3h5s h THR 294 CO 0.00 0.42 0.15 0.00 0.37 0.00 0.00 175.52 176.46 3h5s h TYR 296 N 0.32 0.79 0.69 0.00 5.03 -0.71 -0.64 116.97 122.45 3h5s h TYR 296 Ca 0.16 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.40 3h5s h TYR 296 Cb 0.10 -0.25 0.01 0.00 1.55 0.00 0.00 36.73 38.14 3h5s h TYR 296 CO -0.12 0.61 -0.33 1.25 -1.32 0.00 0.00 178.16 178.24 3h5s h LEU 297 N 0.75 -0.79 -0.78 2.82 5.85 -0.69 0.94 115.31 123.41 3h5s h LEU 297 Ca 0.19 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3h5s h LEU 297 Cb 0.10 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3h5s h LEU 297 CO -0.03 -0.56 0.50 0.11 -0.34 0.00 0.00 178.44 178.12 3h5s h LYS 298 N -0.94 0.97 -0.14 1.25 1.57 -1.21 -2.14 116.57 115.93 3h5s h LYS 298 Ca -0.10 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.42 3h5s h LYS 298 Cb 0.72 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3h5s h LYS 298 CO 0.16 0.64 -0.74 0.00 -0.57 0.00 0.00 179.45 178.93 3h5s h ALA 299 N 1.31 0.42 -0.72 3.86 0.00 -1.02 -0.43 119.26 122.69 3h5s h ALA 299 Ca 0.30 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3h5s h ALA 299 Cb -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3h5s h ALA 299 CO -0.10 0.71 0.19 0.77 0.00 0.00 0.00 179.25 180.83 3h5s h SER 300 N 0.46 1.09 -0.02 0.00 0.02 -0.70 0.05 113.55 114.45 3h5s h SER 300 Ca -0.04 -0.23 -0.18 0.00 -0.84 0.00 0.00 61.79 60.50 3h5s h SER 300 Cb 1.35 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 3h5s h SER 300 CO 0.15 1.03 -0.62 0.00 -1.14 0.00 0.00 176.83 176.25 3h5s h ALA 301 N 1.10 0.57 -0.36 3.77 0.00 -1.32 -2.79 119.26 120.23 3h5s h ALA 301 Ca 0.23 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3h5s h ALA 301 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3h5s h ALA 301 CO -0.00 0.70 -0.14 0.00 0.00 0.00 0.00 179.25 179.81 3h5s h ALA 302 N 0.85 1.07 -0.54 0.00 0.00 -0.87 -0.20 119.26 119.56 3h5s h ALA 302 Ca -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3h5s h ALA 302 Cb 1.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3h5s h ALA 302 CO 0.12 0.57 0.31 0.00 0.00 0.00 0.00 179.25 180.24 3h5s h ARG 304 N 0.73 0.69 -0.92 0.00 3.08 -1.33 -0.64 114.38 115.99 3h5s h ARG 304 Ca 0.19 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.19 3h5s h ARG 304 Cb 0.03 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 29.90 3h5s h ARG 304 CO -0.03 0.58 0.60 0.00 -1.07 0.00 0.00 179.97 180.05 3h5s h ALA 305 N 1.07 1.47 -0.01 0.04 0.00 -0.67 -2.34 119.26 118.82 3h5s h ALA 305 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h5s h ALA 305 Cb 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3h5s h ALA 305 CO -0.02 0.42 -0.14 0.00 0.00 0.00 0.00 179.25 179.51 3h5s n ALA 306 N -2.39 2.84 -3.58 0.00 0.00 0.39 -4.93 120.51 112.84 3h5s n ALA 306 Ca 0.13 -0.39 -0.27 0.00 0.00 0.00 0.00 53.44 52.91 3h5s n ALA 306 Cb 0.16 -1.18 0.01 0.00 0.00 0.00 0.00 19.45 18.44 3h5s n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h5s n LYS 307 N -0.41 -4.50 -2.24 0.00 5.02 -0.32 -4.86 118.16 110.86 3h5s n LYS 307 Ca 0.15 0.59 -0.41 0.00 -2.02 0.00 0.00 58.31 56.62 3h5s n LYS 307 Cb 0.33 -5.40 -0.03 0.00 -0.02 0.00 0.00 35.03 29.92 3h5s n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h5s s LEU 308 N -6.89 4.45 -0.16 -0.35 1.43 -0.77 -4.98 118.68 111.40 3h5s s LEU 308 Ca 0.52 2.46 -0.15 0.00 -1.03 0.00 0.00 54.13 55.93 3h5s s LEU 308 Cb -0.26 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 3h5s s LEU 308 CO 0.64 -0.46 0.35 -1.10 0.23 0.00 0.00 176.35 176.01 3h5s s GLN 309 N -0.88 4.25 -0.95 1.70 -1.52 -1.26 -4.42 119.66 116.59 3h5s s GLN 309 Ca 0.52 0.18 -0.06 0.00 -1.95 0.00 0.00 55.36 54.05 3h5s s GLN 309 Cb -0.37 -3.46 0.01 0.00 -0.22 0.00 0.00 33.01 28.97 3h5s s GLN 309 CO 0.43 0.15 0.83 -3.47 -0.25 0.00 0.00 175.29 172.98 3h5s n ASP 310 N 3.82 -4.91 -4.66 5.90 -0.08 -1.26 -0.44 116.55 114.92 3h5s n ASP 310 Ca -0.10 -0.38 -0.42 0.00 -1.51 0.00 0.00 54.79 52.37 3h5s n ASP 310 Cb 0.52 -3.70 -0.03 0.00 2.34 0.00 0.00 41.12 40.25 3h5s n ASP 310 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3h5s s THR 312 N 4.45 3.47 0.07 0.00 2.01 0.90 -4.98 115.64 121.56 3h5s s THR 312 Ca 0.84 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 62.38 3h5s s THR 312 Cb -0.39 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3h5s s THR 312 CO 0.37 0.47 0.07 -0.04 -0.69 0.00 0.00 174.62 174.80 3h5s s MET 313 N 0.89 2.86 -0.14 4.92 -1.94 -1.26 -0.90 119.30 123.73 3h5s s MET 313 Ca -0.01 -0.69 -0.03 0.00 -1.71 0.00 0.00 55.69 53.25 3h5s s MET 313 Cb -0.15 -2.72 0.05 0.00 2.01 0.00 0.00 34.83 34.02 3h5s s MET 313 CO 0.01 0.57 0.04 -1.17 -0.01 0.00 0.00 175.02 174.46 3h5s s LEU 314 N -2.32 0.74 -0.10 -0.03 2.96 -0.21 -4.17 118.68 115.56 3h5s s LEU 314 Ca 0.28 -0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 53.73 3h5s s LEU 314 Cb -0.12 -0.44 0.02 0.00 0.50 0.00 0.00 46.19 46.15 3h5s s LEU 314 CO 0.21 -0.27 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.20 3h5s s VAL 315 N 1.97 1.01 -0.39 1.68 1.01 -0.53 -0.40 120.40 124.76 3h5s s VAL 315 Ca 0.02 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3h5s s VAL 315 Cb -0.15 -1.02 0.12 0.00 0.00 0.00 0.00 36.38 35.33 3h5s s VAL 315 CO -0.07 0.36 0.15 0.20 0.00 0.00 0.00 175.10 175.75 3h5s s ASN 316 N 1.57 4.10 1.66 3.32 -0.87 0.20 -1.15 114.94 123.76 3h5s s ASN 316 Ca 0.02 -2.25 0.00 0.00 -1.57 0.00 0.00 52.86 49.06 3h5s s ASN 316 Cb -0.13 -1.18 0.00 0.00 -0.02 0.00 0.00 41.25 39.92 3h5s s ASN 316 CO -0.07 -0.34 0.00 0.61 -2.57 0.00 0.00 177.10 174.74 3h5s n GLY 317 N 4.06 2.73 0.48 0.66 0.00 -1.26 -1.12 105.19 110.74 3h5s n GLY 317 Ca 0.04 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.92 3h5s n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h5s n ASP 318 N 6.38 1.48 -4.61 1.61 5.75 -1.26 -3.78 116.55 122.11 3h5s n ASP 318 Ca 0.00 -1.59 -0.42 0.00 -0.01 0.00 0.00 54.79 52.76 3h5s n ASP 318 Cb 0.00 -0.06 -0.04 0.00 -1.03 0.00 0.00 41.12 39.99 3h5s n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h5s s ASP 319 N -1.74 6.71 -0.09 -1.12 -1.08 -0.28 -4.67 116.67 114.40 3h5s s ASP 319 Ca 0.35 0.68 0.01 0.00 -0.52 0.00 0.00 52.55 53.08 3h5s s ASP 319 Cb 0.19 -2.45 0.02 0.00 -1.46 0.00 0.00 42.92 39.22 3h5s s ASP 319 CO 0.29 -0.73 -0.12 -0.22 0.52 0.00 0.00 175.17 174.91 3h5s s LEU 320 N 3.22 1.54 -0.00 -1.34 2.96 -1.26 -0.63 118.68 123.17 3h5s s LEU 320 Ca 0.36 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 3h5s s LEU 320 Cb -0.13 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 3h5s s LEU 320 CO 0.15 -0.01 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.25 3h5s s VAL 321 N 1.00 1.81 -0.07 1.68 1.01 0.47 -1.43 120.40 124.87 3h5s s VAL 321 Ca -0.08 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 60.91 3h5s s VAL 321 Cb -0.15 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 3h5s s VAL 321 CO -0.01 0.46 -0.21 -0.69 0.00 0.00 0.00 175.10 174.65 3h5s s VAL 322 N -0.59 1.81 -0.12 2.92 1.01 0.95 -1.05 120.40 125.33 3h5s s VAL 322 Ca 0.09 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3h5s s VAL 322 Cb -0.09 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.74 3h5s s VAL 322 CO -0.00 0.51 -0.23 -0.63 0.00 0.00 0.00 175.10 174.75 3h5s s ILE 323 N 0.13 2.03 0.33 2.22 1.01 -0.08 -0.83 121.20 126.01 3h5s s ILE 323 Ca -0.10 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.55 3h5s s ILE 323 Cb -0.15 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.56 3h5s s ILE 323 CO 0.05 0.55 0.46 0.00 0.00 0.00 0.00 174.94 176.00 3h5s s GLU 325 N -2.74 4.48 0.59 0.00 0.41 0.41 -0.92 118.70 120.93 3h5s s GLU 325 Ca 0.27 1.41 -0.18 0.00 -0.41 0.00 0.00 54.97 56.06 3h5s s GLU 325 Cb -0.01 -3.50 -0.04 0.00 -1.78 0.00 0.00 34.13 28.80 3h5s s GLU 325 CO 0.19 -0.20 1.14 0.45 -0.49 0.00 0.00 175.26 176.36 3h5s s SER 326 N 1.06 5.41 -0.20 -0.19 0.15 0.68 -4.43 113.70 116.18 3h5s s SER 326 Ca 0.50 2.17 0.13 0.00 0.70 0.00 0.00 55.95 59.45 3h5s s SER 326 Cb -0.20 -2.58 0.41 0.00 -1.71 0.00 0.00 66.02 61.94 3h5s s SER 326 CO 0.23 -1.43 1.25 0.00 1.20 0.00 0.00 173.24 174.48 3h5s n ALA 327 N -1.70 3.42 0.00 5.45 0.00 -1.26 -4.94 120.51 121.48 3h5s n ALA 327 Ca 0.12 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.46 3h5s n ALA 327 Cb 0.51 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3h5s n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5s n GLY 328 N -1.17 -1.64 0.16 0.00 0.00 -1.26 -4.45 105.19 96.82 3h5s n GLY 328 Ca 0.20 -1.54 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 3h5s n GLY 328 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h5s h THR 329 N 0.00 1.03 -0.35 2.61 1.35 -1.99 -1.75 112.91 113.82 3h5s h THR 329 Ca 0.00 -0.14 -0.14 0.00 -0.55 0.00 0.00 66.41 65.58 3h5s h THR 329 Cb 0.00 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.00 3h5s h THR 329 CO 0.00 0.07 -0.34 1.56 -0.25 0.00 0.00 175.52 176.56 3h5s h GLN 330 N 0.41 0.79 -0.19 4.72 1.08 -2.00 -1.37 115.11 118.55 3h5s h GLN 330 Ca 0.14 -0.38 -0.20 0.00 -1.45 0.00 0.00 58.65 56.75 3h5s h GLN 330 Cb 0.01 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3h5s h GLN 330 CO -0.07 1.01 -0.68 1.49 -0.95 0.00 0.00 178.83 179.63 3h5s h GLU 331 N 0.66 0.77 -0.62 1.46 4.57 -1.76 -2.77 114.58 116.88 3h5s h GLU 331 Ca 0.07 -0.57 0.04 0.00 -1.18 0.00 0.00 59.36 57.72 3h5s h GLU 331 Cb 0.89 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.53 3h5s h GLU 331 CO 0.08 1.18 0.36 -0.44 -1.18 0.00 0.00 179.01 179.01 3h5s h ASP 332 N 0.55 0.56 -0.71 1.04 3.32 -1.14 0.16 116.42 120.22 3h5s h ASP 332 Ca -0.02 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3h5s h ASP 332 Cb 1.29 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 3h5s h ASP 332 CO 0.14 0.38 0.46 0.00 -1.72 0.00 0.00 179.24 178.50 3h5s h ALA 333 N 1.30 0.90 -0.41 3.45 0.00 -1.17 -0.81 119.26 122.52 3h5s h ALA 333 Ca 0.26 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3h5s h ALA 333 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3h5s h ALA 333 CO -0.14 0.30 -0.13 0.00 0.00 0.00 0.00 179.25 179.28 3h5s h ALA 334 N 1.27 0.57 -1.01 0.00 0.00 -1.14 -2.04 119.26 116.91 3h5s h ALA 334 Ca 0.26 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3h5s h ALA 334 Cb -0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 3h5s h ALA 334 CO -0.07 0.47 0.66 0.77 0.00 0.00 0.00 179.25 181.08 3h5s h SER 335 N 0.63 1.10 -0.37 0.00 0.02 -0.29 -2.23 113.55 112.41 3h5s h SER 335 Ca 0.10 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 3h5s h SER 335 Cb 0.67 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3h5s h SER 335 CO 0.05 0.75 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.20 3h5s h LEU 336 N 1.27 0.88 -1.10 5.07 3.38 -0.97 0.26 115.31 124.10 3h5s h LEU 336 Ca 0.40 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3h5s h LEU 336 Cb 0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3h5s h LEU 336 CO -0.13 1.06 0.56 0.03 0.09 0.00 0.00 178.44 180.05 3h5s h ARG 337 N 0.75 1.17 -0.06 1.13 3.08 -0.95 -0.11 114.38 119.39 3h5s h ARG 337 Ca 0.10 -0.08 -0.21 0.00 0.07 0.00 0.00 59.98 59.86 3h5s h ARG 337 Cb 0.75 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3h5s h ARG 337 CO 0.06 0.79 -0.84 0.28 -1.07 0.00 0.00 179.97 179.19 3h5s h VAL 338 N 1.20 1.36 -0.60 2.04 2.07 -1.14 -1.78 116.25 119.39 3h5s h VAL 338 Ca 0.32 -2.23 0.08 0.00 0.82 0.00 0.00 66.70 65.69 3h5s h VAL 338 Cb -0.10 2.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 3h5s h VAL 338 CO -0.07 0.68 0.27 0.15 0.02 0.00 0.00 177.57 178.62 3h5s h PHE 339 N 0.32 0.48 -0.31 1.57 3.57 -0.60 -1.44 116.94 120.53 3h5s h PHE 339 Ca -0.06 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.30 3h5s h PHE 339 Cb 1.46 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 40.06 3h5s h PHE 339 CO 0.06 0.18 -0.46 1.15 -2.23 0.00 0.00 178.31 177.01 3h5s h THR 340 N 0.49 1.28 -0.45 4.41 2.02 -0.95 -0.95 112.91 118.76 3h5s h THR 340 Ca 0.29 -1.65 0.05 0.00 0.77 0.00 0.00 66.41 65.87 3h5s h THR 340 Cb 0.29 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 3h5s h THR 340 CO -0.25 0.54 0.18 -0.33 0.37 0.00 0.00 175.52 176.03 3h5s h GLU 341 N 0.65 0.35 -0.06 6.66 5.08 -1.13 0.08 114.58 126.21 3h5s h GLU 341 Ca 0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3h5s h GLU 341 Cb 1.04 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 3h5s h GLU 341 CO 0.10 0.23 0.03 0.00 -1.00 0.00 0.00 179.01 178.37 3h5s h ALA 342 N 1.28 0.08 -0.97 3.43 0.00 -1.07 -1.24 119.26 120.77 3h5s h ALA 342 Ca 0.21 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3h5s h ALA 342 Cb 0.19 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 3h5s h ALA 342 CO -0.20 -0.37 0.62 0.52 0.00 0.00 0.00 179.25 179.82 3h5s h MET 343 N -0.03 0.96 -0.30 0.00 2.86 -0.96 -1.16 114.93 116.31 3h5s h MET 343 Ca 0.02 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 3h5s h MET 343 Cb 0.12 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 3h5s h MET 343 CO -0.00 0.63 -0.29 1.15 1.06 0.00 0.00 176.91 179.46 3h5s h THR 344 N 0.99 1.30 -0.46 2.22 2.02 -0.66 -1.05 112.91 117.26 3h5s h THR 344 Ca 0.46 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 3h5s h THR 344 Cb 0.41 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3h5s h THR 344 CO -0.22 0.47 0.26 0.03 0.37 0.00 0.00 175.52 176.43 3h5s h ARG 345 N 0.47 0.63 0.00 6.66 3.08 -0.83 -1.88 114.38 122.52 3h5s h ARG 345 Ca 0.05 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3h5s h ARG 345 Cb 0.86 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3h5s h ARG 345 CO 0.07 0.46 0.00 0.66 -1.07 0.00 0.00 179.97 180.09 3h5s n TYR 346 N -4.42 0.00 -2.73 3.04 4.01 -0.47 -1.10 117.16 115.48 3h5s n TYR 346 Ca 0.04 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.68 3h5s n TYR 346 Cb 0.09 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.17 3h5s n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h5s n SER 347 N -0.71 -4.24 -2.80 7.72 2.88 -0.71 -4.93 113.62 110.83 3h5s n SER 347 Ca 0.09 -0.45 -0.10 0.00 -1.33 0.00 0.00 58.87 57.08 3h5s n SER 347 Cb 0.04 -3.60 0.06 0.00 -0.75 0.00 0.00 64.21 59.96 3h5s n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h5s n ALA 348 N -2.76 -0.62 -1.43 -1.46 0.00 -0.45 -4.56 120.51 109.23 3h5s n ALA 348 Ca -0.09 -1.71 -0.30 0.00 0.00 0.00 0.00 53.44 51.35 3h5s n ALA 348 Cb 0.59 -1.19 0.10 0.00 0.00 0.00 0.00 19.45 18.94 3h5s n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h5s s PRO 349 N 0.14 2.04 0.33 0.00 0.04 -1.26 -4.19 135.00 132.10 3h5s s PRO 349 Ca 0.28 0.81 -0.17 0.00 0.04 0.00 0.00 61.00 61.96 3h5s s PRO 349 Cb 0.26 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.81 3h5s s PRO 349 CO -0.13 -1.69 0.78 -1.25 0.04 0.00 0.00 177.00 174.74 3h5s s PRO 350 N -5.05 4.08 0.00 0.56 0.04 -1.26 -0.98 135.00 132.39 3h5s s PRO 350 Ca 0.61 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.43 3h5s s PRO 350 Cb -0.16 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.94 3h5s s PRO 350 CO 0.55 0.15 0.00 0.41 0.04 0.00 0.00 177.00 178.16 3h5s n GLY 351 N -0.28 1.78 3.76 0.56 0.00 0.21 -4.35 105.19 106.87 3h5s n GLY 351 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3h5s n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h5s s ASP 352 N -1.00 7.37 0.29 1.61 1.01 -1.26 -4.96 116.67 119.73 3h5s s ASP 352 Ca 0.00 1.63 -0.29 0.00 0.71 0.00 0.00 52.55 54.59 3h5s s ASP 352 Cb 0.00 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 3h5s s ASP 352 CO 0.00 0.12 1.46 -2.84 0.21 0.00 0.00 175.17 174.11 3h5s s PRO 353 N -0.69 4.23 0.38 8.23 0.02 -1.26 -4.47 135.00 141.44 3h5s s PRO 353 Ca 0.38 2.38 -0.27 0.00 0.02 0.00 0.00 61.00 63.51 3h5s s PRO 353 Cb -0.23 -3.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.13 3h5s s PRO 353 CO 0.26 -0.44 1.38 -1.25 -0.33 0.00 0.00 177.00 176.62 3h5s s PRO 354 N -0.89 4.10 -0.15 5.54 0.04 -1.26 -5.02 135.00 137.35 3h5s s PRO 354 Ca 0.57 2.34 -0.01 0.00 0.04 0.00 0.00 61.00 63.94 3h5s s PRO 354 Cb -0.43 -2.91 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 3h5s s PRO 354 CO 0.49 -0.45 -0.11 -0.65 0.04 0.00 0.00 177.00 176.32 3h5s s GLN 355 N -2.08 3.40 0.36 4.56 -0.21 -1.26 -4.99 119.66 119.43 3h5s s GLN 355 Ca 0.54 -0.66 -0.27 0.00 0.02 0.00 0.00 55.36 54.99 3h5s s GLN 355 Cb -0.42 -2.74 -0.09 0.00 1.00 0.00 0.00 33.01 30.76 3h5s s GLN 355 CO 0.56 0.12 1.16 -1.25 -2.12 0.00 0.00 175.29 173.75 3h5s s PRO 356 N 0.62 4.28 0.00 2.91 0.04 -1.26 -4.52 135.00 137.06 3h5s s PRO 356 Ca -0.06 1.86 0.05 0.00 0.04 0.00 0.00 61.00 62.89 3h5s s PRO 356 Cb -0.15 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.50 3h5s s PRO 356 CO 0.03 -0.13 -0.16 -1.21 0.04 0.00 0.00 177.00 175.56 3h5s s GLU 357 N -2.00 1.23 -0.04 4.56 0.41 0.37 -4.97 118.70 118.26 3h5s s GLU 357 Ca 0.52 -0.64 0.08 0.00 -0.41 0.00 0.00 54.97 54.52 3h5s s GLU 357 Cb -0.32 -1.22 0.19 0.00 -1.78 0.00 0.00 34.13 31.00 3h5s s GLU 357 CO 0.41 0.33 1.14 0.66 -0.49 0.00 0.00 175.26 177.30 3h5s n TYR 358 N 2.47 0.22 -3.78 1.61 4.01 -1.26 -1.29 117.16 119.14 3h5s n TYR 358 Ca -0.15 -0.63 -0.26 0.00 -0.16 0.00 0.00 57.90 56.70 3h5s n TYR 358 Cb 0.54 -0.09 -0.17 0.00 -0.31 0.00 0.00 39.34 39.31 3h5s n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3h5s s ASP 359 N -1.44 2.30 0.43 7.72 -1.08 -1.26 -4.99 116.67 118.35 3h5s s ASP 359 Ca 0.16 -0.46 0.18 0.00 -0.52 0.00 0.00 52.55 51.91 3h5s s ASP 359 Cb 0.12 -0.58 1.10 0.00 -1.46 0.00 0.00 42.92 42.10 3h5s s ASP 359 CO 0.06 -0.23 1.88 0.25 0.52 0.00 0.00 175.17 177.64 3h5s h LEU 360 N 8.26 0.37 -0.94 -1.34 5.85 -1.97 -0.94 115.31 124.61 3h5s h LEU 360 Ca -0.19 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3h5s h LEU 360 Cb 1.12 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3h5s h LEU 360 CO 0.32 0.16 0.00 -0.33 -0.34 0.00 0.00 178.44 178.25 3h5s h GLU 361 N 0.38 0.00 -0.05 1.25 5.08 -1.97 -2.46 114.58 116.82 3h5s h GLU 361 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3h5s h GLU 361 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3h5s h GLU 361 CO -0.15 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.14 3h5s n LEU 362 N -2.39 2.22 -4.70 1.33 4.77 -0.36 -4.45 117.00 113.43 3h5s n LEU 362 Ca 0.01 -0.77 -0.39 0.00 -0.03 0.00 0.00 56.01 54.84 3h5s n LEU 362 Cb 0.22 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 3h5s n LEU 362 CO 0.20 0.38 0.24 -0.63 -1.33 0.00 0.00 177.39 176.25 3h5s s ILE 363 N -1.96 5.13 -0.21 -0.08 1.01 -0.93 -5.03 121.20 119.13 3h5s s ILE 363 Ca 0.34 1.03 -0.07 0.00 0.00 0.00 0.00 60.65 61.95 3h5s s ILE 363 Cb 0.20 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3h5s s ILE 363 CO 0.32 0.26 0.06 -0.89 0.00 0.00 0.00 174.94 174.69 3h5s s THR 364 N 1.05 4.56 -0.05 2.92 2.01 -1.26 -4.24 115.64 120.63 3h5s s THR 364 Ca 0.27 -0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 3h5s s THR 364 Cb -0.16 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.29 3h5s s THR 364 CO 0.11 0.40 0.28 -0.94 -0.69 0.00 0.00 174.62 173.78 3h5s s SER 365 N 0.94 -0.21 -1.61 3.53 1.04 -0.44 -4.71 113.70 112.24 3h5s s SER 365 Ca 0.04 0.24 -0.05 0.00 0.48 0.00 0.00 55.95 56.66 3h5s s SER 365 Cb -0.14 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.45 3h5s s SER 365 CO 0.03 -0.30 0.18 0.00 0.98 0.00 0.00 173.24 174.13 3h5s n SER 367 N -2.80 -5.61 -4.20 0.00 7.64 -1.26 -4.94 113.62 102.45 3h5s n SER 367 Ca -0.22 0.23 -0.19 0.00 1.01 0.00 0.00 58.87 59.70 3h5s n SER 367 Cb 0.64 -3.94 -0.12 0.00 -1.01 0.00 0.00 64.21 59.79 3h5s n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h5s s SER 368 N -2.38 1.84 0.21 6.43 0.01 -0.47 -4.65 113.70 114.70 3h5s s SER 368 Ca 0.00 -0.68 0.10 0.00 1.31 0.00 0.00 55.95 56.68 3h5s s SER 368 Cb 0.00 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.12 3h5s s SER 368 CO 0.00 -0.08 -0.20 0.54 0.41 0.00 0.00 173.24 173.91 3h5s s ASN 369 N -1.96 3.12 0.22 2.44 4.22 0.65 -1.33 114.94 122.30 3h5s s ASN 369 Ca 0.02 -0.94 -0.30 0.00 -2.14 0.00 0.00 52.86 49.50 3h5s s ASN 369 Cb -0.08 -0.22 -0.08 0.00 1.28 0.00 0.00 41.25 42.14 3h5s s ASN 369 CO 0.03 0.00 1.15 -0.69 -2.04 0.00 0.00 177.10 175.54 3h5s s VAL 370 N -2.26 3.60 0.34 3.54 1.01 -1.26 -0.98 120.40 124.39 3h5s s VAL 370 Ca 0.22 1.43 0.05 0.00 0.00 0.00 0.00 61.98 63.69 3h5s s VAL 370 Cb -0.05 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3h5s s VAL 370 CO 0.10 0.27 0.34 -0.55 0.00 0.00 0.00 175.10 175.26 3h5s s SER 371 N -0.25 1.54 -0.05 3.32 0.15 -0.46 -4.37 113.70 113.59 3h5s s SER 371 Ca 0.49 -1.71 0.03 0.00 0.70 0.00 0.00 55.95 55.46 3h5s s SER 371 Cb -0.32 0.60 0.01 0.00 -1.71 0.00 0.00 66.02 64.59 3h5s s SER 371 CO 0.38 -1.14 -0.13 0.54 1.20 0.00 0.00 173.24 174.09 3h5s s VAL 372 N -3.28 1.10 0.05 4.45 0.11 -1.26 -1.72 120.40 119.85 3h5s s VAL 372 Ca 0.38 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 3h5s s VAL 372 Cb 0.01 -0.98 -0.00 0.00 -1.53 0.00 0.00 36.38 33.88 3h5s s VAL 372 CO 0.26 0.34 0.02 0.00 -3.33 0.00 0.00 175.10 172.39 3h5s n ALA 373 N 3.48 0.07 -2.57 1.54 0.00 -0.36 -3.35 120.51 119.31 3h5s n ALA 373 Ca -0.20 -0.24 -0.26 0.00 0.00 0.00 0.00 53.44 52.74 3h5s n ALA 373 Cb 0.53 0.16 -0.16 0.00 0.00 0.00 0.00 19.45 19.98 3h5s n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3h5s s HIS 374 N -1.72 1.74 0.56 0.00 3.76 0.23 0.15 115.29 120.01 3h5s s HIS 374 Ca 0.02 -0.38 -0.09 0.00 -0.15 0.00 0.00 55.06 54.47 3h5s s HIS 374 Cb 0.00 -1.13 0.13 0.00 1.11 0.00 0.00 32.58 32.69 3h5s s HIS 374 CO 0.02 -0.07 0.76 -0.40 -0.85 0.00 0.00 174.74 174.20 3h5s n ASP 375 N 2.74 0.09 0.15 1.40 5.68 0.18 -0.63 116.55 126.16 3h5s n ASP 375 Ca -0.16 -1.29 0.13 0.00 -0.50 0.00 0.00 54.79 52.97 3h5s n ASP 375 Cb 0.53 -0.58 0.67 0.00 -1.14 0.00 0.00 41.12 40.60 3h5s n ASP 375 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h5s h ALA 376 N -1.83 2.19 -0.01 2.12 0.00 -1.89 -0.95 119.26 118.89 3h5s h ALA 376 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3h5s h ALA 376 Cb 0.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3h5s h ALA 376 CO 0.18 -0.27 -0.11 -1.13 0.00 0.00 0.00 179.25 177.91 3h5s n SER 377 N -4.44 0.96 0.00 0.00 3.41 -1.26 -4.92 113.62 107.36 3h5s n SER 377 Ca 0.02 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 3h5s n SER 377 Cb 0.30 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3h5s n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h5s n GLY 378 N 1.24 1.36 3.72 5.00 0.00 -0.36 -5.04 105.19 111.12 3h5s n GLY 378 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3h5s n GLY 378 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3h5s n LYS 379 N -2.00 2.47 -1.77 1.61 4.81 -1.26 -4.66 118.16 117.36 3h5s n LYS 379 Ca 0.00 0.88 -0.41 0.00 -0.87 0.00 0.00 58.31 57.90 3h5s n LYS 379 Cb 0.00 -2.61 -0.01 0.00 0.02 0.00 0.00 35.03 32.43 3h5s n LYS 379 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3h5s s ARG 380 N -0.59 4.11 -0.06 1.64 0.52 -1.26 -0.65 118.95 122.66 3h5s s ARG 380 Ca 0.65 2.59 0.00 0.00 -0.52 0.00 0.00 55.73 58.45 3h5s s ARG 380 Cb -0.55 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 31.93 3h5s s ARG 380 CO 0.50 -0.64 -0.05 0.54 0.02 0.00 0.00 175.30 175.67 3h5s s VAL 381 N -0.02 0.68 0.23 3.52 0.11 0.12 -4.86 120.40 120.18 3h5s s VAL 381 Ca 0.63 -0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 59.23 3h5s s VAL 381 Cb -0.48 -0.71 -0.09 0.00 -1.53 0.00 0.00 36.38 33.57 3h5s s VAL 381 CO 0.48 0.28 0.95 -0.31 -3.33 0.00 0.00 175.10 173.17 3h5s s TYR 382 N 1.23 3.97 0.21 1.54 2.02 -1.26 -1.22 117.35 123.84 3h5s s TYR 382 Ca -0.06 1.91 -0.13 0.00 -0.37 0.00 0.00 57.07 58.42 3h5s s TYR 382 Cb -0.14 -3.00 0.00 0.00 -0.40 0.00 0.00 41.96 38.43 3h5s s TYR 382 CO -0.02 0.41 0.45 1.52 -1.57 0.00 0.00 175.55 176.34 3h5s s TYR 383 N -1.12 0.22 -0.15 2.71 1.13 -0.70 -4.97 117.35 114.46 3h5s s TYR 383 Ca 0.41 -0.57 -0.06 0.00 -1.41 0.00 0.00 57.07 55.44 3h5s s TYR 383 Cb -0.26 0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.76 3h5s s TYR 383 CO 0.32 -0.91 0.06 -0.51 -2.51 0.00 0.00 175.55 172.00 3h5s s LEU 384 N -2.96 3.84 0.35 -3.49 1.43 -1.26 -1.35 118.68 115.24 3h5s s LEU 384 Ca 0.17 0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.47 3h5s s LEU 384 Cb 0.00 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3h5s s LEU 384 CO 0.03 0.25 0.22 0.28 0.23 0.00 0.00 176.35 177.36 3h5s s THR 385 N -0.10 0.21 0.23 5.49 -1.32 -0.16 -4.76 115.64 115.23 3h5s s THR 385 Ca 0.07 -2.00 -0.15 0.00 -1.21 0.00 0.00 61.69 58.39 3h5s s THR 385 Cb -0.12 -2.44 0.01 0.00 -1.51 0.00 0.00 72.50 68.44 3h5s s THR 385 CO 0.01 0.00 0.51 0.00 -2.21 0.00 0.00 174.62 172.94 3h5s s ARG 386 N -3.58 1.50 0.10 7.08 1.70 -1.26 -0.25 118.95 124.23 3h5s s ARG 386 Ca 0.34 -1.09 -0.31 0.00 -0.47 0.00 0.00 55.73 54.21 3h5s s ARG 386 Cb 0.03 0.50 -0.09 0.00 -0.57 0.00 0.00 34.95 34.81 3h5s s ARG 386 CO 0.22 -0.64 1.74 0.34 -1.08 0.00 0.00 175.30 175.89 3h5s s ASP 387 N -2.95 6.51 0.00 -2.89 -1.08 -1.26 -4.90 116.67 110.10 3h5s s ASP 387 Ca 0.16 2.62 0.16 0.00 -0.52 0.00 0.00 52.55 54.97 3h5s s ASP 387 Cb -0.01 -2.56 0.88 0.00 -1.46 0.00 0.00 42.92 39.77 3h5s s ASP 387 CO 0.04 -0.95 1.58 -0.81 0.52 0.00 0.00 175.17 175.55 3h5s n PRO 388 N 5.65 1.10 0.24 4.34 -0.04 -1.26 -4.42 135.00 140.62 3h5s n PRO 388 Ca 0.17 -0.16 -0.17 0.00 -0.04 0.00 0.00 63.50 63.30 3h5s n PRO 388 Cb 0.39 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 3h5s n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3h5s h THR 389 N 0.30 0.09 -0.06 0.52 2.02 -1.95 -0.05 112.91 113.79 3h5s h THR 389 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3h5s h THR 389 Cb 0.07 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3h5s h THR 389 CO 0.00 0.00 0.03 0.74 0.37 0.00 0.00 175.52 176.66 3h5s h THR 390 N -0.88 1.00 -0.99 3.16 2.02 -1.96 0.39 112.91 115.64 3h5s h THR 390 Ca -0.04 -0.02 0.18 0.00 0.77 0.00 0.00 66.41 67.30 3h5s h THR 390 Cb 0.79 0.93 -0.10 0.00 -1.74 0.00 0.00 68.15 68.03 3h5s h THR 390 CO -0.10 0.01 0.60 -0.65 0.37 0.00 0.00 175.52 175.75 3h5s h PRO 391 N 0.06 0.75 -0.04 6.66 0.11 -1.81 -0.66 132.00 137.08 3h5s h PRO 391 Ca 0.02 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.87 3h5s h PRO 391 Cb 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.95 3h5s h PRO 391 CO -0.01 0.50 -0.88 -0.07 -0.21 0.00 0.00 178.00 177.32 3h5s h LEU 392 N 0.78 0.63 -0.71 2.35 3.38 -0.57 -0.83 115.31 120.33 3h5s h LEU 392 Ca 0.56 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3h5s h LEU 392 Cb 0.84 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3h5s h LEU 392 CO -0.37 1.25 0.17 0.00 0.09 0.00 0.00 178.44 179.58 3h5s h ALA 393 N 0.72 0.94 -0.28 1.53 0.00 -0.53 -1.83 119.26 119.80 3h5s h ALA 393 Ca -0.07 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3h5s h ALA 393 Cb 1.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3h5s h ALA 393 CO 0.16 0.67 -0.32 0.00 0.00 0.00 0.00 179.25 179.75 3h5s h ARG 394 N 1.08 0.60 -0.69 0.00 3.08 -1.12 -2.54 114.38 114.79 3h5s h ARG 394 Ca 0.22 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3h5s h ARG 394 Cb 0.38 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3h5s h ARG 394 CO 0.00 0.85 0.37 0.00 -1.07 0.00 0.00 179.97 180.12 3h5s h ALA 395 N 1.14 1.35 -0.23 0.04 0.00 -0.84 -0.56 119.26 120.15 3h5s h ALA 395 Ca 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3h5s h ALA 395 Cb 0.81 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3h5s h ALA 395 CO 0.07 0.53 -0.03 0.00 0.00 0.00 0.00 179.25 179.81 3h5s h ALA 396 N 1.44 0.32 -0.55 0.00 0.00 -1.13 0.12 119.26 119.46 3h5s h ALA 396 Ca 0.24 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3h5s h ALA 396 Cb 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3h5s h ALA 396 CO -0.04 0.09 0.16 2.35 0.00 0.00 0.00 179.25 181.81 3h5s h TRP 397 N 0.18 0.28 0.00 0.00 2.91 -1.26 -2.77 115.95 115.30 3h5s h TRP 397 Ca 0.06 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.11 3h5s h TRP 397 Cb 0.47 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.08 3h5s h TRP 397 CO 0.05 0.05 0.00 0.93 -1.03 0.00 0.00 178.44 178.43 3h5s h GLU 398 N 0.32 0.00 0.00 2.65 5.08 -0.63 -1.64 114.58 120.37 3h5s h GLU 398 Ca 0.28 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.53 3h5s h GLU 398 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3h5s h GLU 398 CO -0.31 0.00 -0.52 1.15 -1.00 0.00 0.00 179.01 178.33 3h5s h THR 399 N 0.00 1.32 0.00 1.13 2.02 -0.47 -3.33 112.91 113.58 3h5s h THR 399 Ca 0.00 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.37 3h5s h THR 399 Cb 0.50 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 3h5s h THR 399 CO 0.00 0.51 -1.27 0.00 0.37 0.00 0.00 175.52 175.13 3h5s n ALA 400 N -2.42 3.26 -3.73 6.16 0.00 -0.88 -4.86 120.51 118.04 3h5s n ALA 400 Ca -0.01 -0.41 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 3h5s n ALA 400 Cb 0.54 -0.56 -0.14 0.00 0.00 0.00 0.00 19.45 19.30 3h5s n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h5s s ARG 401 N -2.81 0.16 0.03 0.00 1.81 -0.67 -4.94 118.95 112.53 3h5s s ARG 401 Ca -0.00 0.46 -0.30 0.00 -1.72 0.00 0.00 55.73 54.17 3h5s s ARG 401 Cb 0.11 -0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.41 3h5s s ARG 401 CO 0.65 -0.16 1.23 -1.01 -0.68 0.00 0.00 175.30 175.33 3h5s s HIS 402 N 1.22 3.31 0.29 -0.53 3.76 -1.26 -4.21 115.29 117.88 3h5s s HIS 402 Ca -0.09 1.21 0.10 0.00 -0.15 0.00 0.00 55.06 56.13 3h5s s HIS 402 Cb -0.11 -3.46 -0.05 0.00 1.11 0.00 0.00 32.58 30.07 3h5s s HIS 402 CO -0.07 -1.47 -0.09 0.95 -0.85 0.00 0.00 174.74 173.20 3h5s s THR 403 N 1.44 2.76 0.31 1.30 -4.23 -1.26 -5.03 115.64 110.92 3h5s s THR 403 Ca 0.59 -2.16 0.20 0.00 -1.18 0.00 0.00 61.69 59.13 3h5s s THR 403 Cb -0.29 -2.58 0.18 0.00 1.34 0.00 0.00 72.50 71.14 3h5s s THR 403 CO 0.27 -0.33 1.88 -0.65 -0.54 0.00 0.00 174.62 175.25 3h5s h PRO 404 N 2.05 0.00 -4.92 3.99 0.11 -1.96 -3.38 132.00 127.88 3h5s h PRO 404 Ca -0.42 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.02 3h5s h PRO 404 Cb 1.25 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 32.00 3h5s h PRO 404 CO 0.62 0.28 -0.82 0.08 -0.21 0.00 0.00 178.00 177.96 3h5s s VAL 405 N -3.99 2.16 -1.18 3.15 1.01 -1.26 -4.72 120.40 115.57 3h5s s VAL 405 Ca -0.02 -1.42 -0.19 0.00 0.00 0.00 0.00 61.98 60.35 3h5s s VAL 405 Cb 0.13 -2.17 0.09 0.00 0.00 0.00 0.00 36.38 34.43 3h5s s VAL 405 CO 0.66 0.14 1.55 0.20 0.00 0.00 0.00 175.10 177.66 3h5s s ASN 406 N 1.16 6.78 0.54 3.32 0.01 -1.06 -4.84 114.94 120.85 3h5s s ASN 406 Ca -0.05 -2.27 0.22 0.00 -0.71 0.00 0.00 52.86 50.06 3h5s s ASN 406 Cb -0.18 -2.53 1.47 0.00 0.41 0.00 0.00 41.25 40.42 3h5s s ASN 406 CO -0.07 -1.16 2.16 0.77 -1.51 0.00 0.00 177.10 177.29 3h5s h SER 407 N 8.16 0.00 -0.25 -1.22 4.64 -1.93 -1.86 113.55 121.09 3h5s h SER 407 Ca 0.34 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.60 3h5s h SER 407 Cb 0.92 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 3h5s h SER 407 CO 1.38 0.03 -0.03 4.11 -0.87 0.00 0.00 176.83 181.45 3h5s h TRP 408 N 0.00 0.62 -0.15 4.77 5.08 -1.90 0.15 115.95 124.52 3h5s h TRP 408 Ca -0.00 -0.08 -0.08 0.00 1.08 0.00 0.00 58.89 59.81 3h5s h TRP 408 Cb 0.07 -0.17 -0.00 0.00 -3.00 0.00 0.00 29.16 26.06 3h5s h TRP 408 CO 0.00 0.61 -0.22 1.25 -1.28 0.00 0.00 178.44 178.80 3h5s h LEU 409 N 0.55 0.46 -0.67 0.11 5.85 -1.73 0.92 115.31 120.80 3h5s h LEU 409 Ca 0.11 -0.52 0.09 0.00 0.84 0.00 0.00 57.88 58.40 3h5s h LEU 409 Cb 0.40 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 3h5s h LEU 409 CO 0.02 0.89 0.30 1.23 -0.34 0.00 0.00 178.44 180.54 3h5s h GLY 410 N 0.04 0.98 1.14 3.75 0.00 -1.33 -0.93 103.07 106.72 3h5s h GLY 410 Ca 0.01 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 3h5s h GLY 410 CO 0.05 0.03 -0.31 3.43 0.00 0.00 0.00 176.54 179.74 3h5s h ASN 411 N 0.52 1.01 -0.46 0.19 2.35 -0.53 -1.46 115.58 117.20 3h5s h ASN 411 Ca 0.33 -0.43 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 3h5s h ASN 411 Cb 0.37 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3h5s h ASN 411 CO -0.28 1.23 0.14 0.40 -1.65 0.00 0.00 177.43 177.26 3h5s h ILE 412 N 0.80 1.21 0.19 2.81 2.04 -0.53 0.59 117.51 124.63 3h5s h ILE 412 Ca 0.08 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3h5s h ILE 412 Cb 0.90 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3h5s h ILE 412 CO 0.08 0.28 -0.09 0.40 0.00 0.00 0.00 178.15 178.83 3h5s h ILE 413 N 0.76 0.91 0.00 -0.67 2.04 -1.00 -1.44 117.51 118.11 3h5s h ILE 413 Ca 0.17 -0.81 -0.15 0.00 1.00 0.00 0.00 64.86 65.07 3h5s h ILE 413 Cb 0.26 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3h5s h ILE 413 CO -0.00 0.18 -0.86 0.24 0.00 0.00 0.00 178.15 177.71 3h5s h MET 414 N -0.67 0.00 -0.24 2.37 2.86 -1.25 -3.28 114.93 114.71 3h5s h MET 414 Ca -0.03 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 3h5s h MET 414 Cb 0.48 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.09 3h5s h MET 414 CO 0.04 0.56 -0.08 0.66 1.06 0.00 0.00 176.91 179.15 3h5s n TYR 415 N -3.17 0.79 -0.30 -0.22 4.01 0.20 -4.81 117.16 113.65 3h5s n TYR 415 Ca -0.02 -1.28 0.12 0.00 -0.16 0.00 0.00 57.90 56.56 3h5s n TYR 415 Cb 0.81 -0.37 0.27 0.00 -0.31 0.00 0.00 39.34 39.74 3h5s n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h5s h ALA 416 N 1.10 1.15 0.00 -0.72 0.00 -1.32 -1.28 119.26 118.18 3h5s h ALA 416 Ca 0.10 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3h5s h ALA 416 Cb 1.44 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3h5s h ALA 416 CO 0.25 -0.51 0.00 -2.30 0.00 0.00 0.00 179.25 176.69 3h5s n PRO 417 N -5.35 0.19 -2.38 0.00 -0.02 -1.26 -4.40 135.00 121.78 3h5s n PRO 417 Ca 0.21 0.14 -0.32 0.00 -2.02 0.00 0.00 63.50 61.50 3h5s n PRO 417 Cb 0.68 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.62 3h5s n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3h5s s THR 418 N -2.67 4.53 0.17 3.45 -4.23 -0.48 -4.90 115.64 111.50 3h5s s THR 418 Ca 0.15 1.21 -0.14 0.00 -1.18 0.00 0.00 61.69 61.72 3h5s s THR 418 Cb 0.12 -3.72 0.06 0.00 1.34 0.00 0.00 72.50 70.29 3h5s s THR 418 CO 0.28 -0.70 1.79 0.25 -0.54 0.00 0.00 174.62 175.70 3h5s h LEU 419 N 0.89 0.37 -0.20 4.79 5.85 -1.89 -2.83 115.31 122.28 3h5s h LEU 419 Ca -0.47 0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.05 3h5s h LEU 419 Cb 1.18 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.17 3h5s h LEU 419 CO 0.61 0.26 -0.86 4.11 -0.34 0.00 0.00 178.44 182.22 3h5s h TRP 420 N 0.49 0.79 -0.39 1.25 5.08 -1.93 -1.91 115.95 119.33 3h5s h TRP 420 Ca 0.20 -0.39 -0.11 0.00 1.08 0.00 0.00 58.89 59.67 3h5s h TRP 420 Cb 0.08 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 26.12 3h5s h TRP 420 CO -0.09 1.20 -0.21 0.00 -1.28 0.00 0.00 178.44 178.05 3h5s h ALA 421 N 0.69 0.89 -0.01 0.11 0.00 -1.80 -1.83 119.26 117.32 3h5s h ALA 421 Ca -0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3h5s h ALA 421 Cb 1.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3h5s h ALA 421 CO 0.16 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.93 3h5s h ARG 422 N 0.67 0.09 0.19 0.00 3.08 -1.48 -0.18 114.38 116.75 3h5s h ARG 422 Ca 0.09 -0.08 -0.31 0.00 0.07 0.00 0.00 59.98 59.75 3h5s h ARG 422 Cb 0.72 0.02 0.03 0.00 0.08 0.00 0.00 29.97 30.82 3h5s h ARG 422 CO 0.06 0.79 -1.37 0.52 -1.07 0.00 0.00 179.97 178.90 3h5s h MET 423 N -0.58 0.51 0.00 0.04 2.86 -1.43 -3.34 114.93 112.98 3h5s h MET 423 Ca -0.01 -0.80 0.00 0.00 -2.06 0.00 0.00 59.70 56.82 3h5s h MET 423 Cb 0.82 0.29 0.00 0.00 0.06 0.00 0.00 31.60 32.77 3h5s h MET 423 CO 0.02 1.38 -0.43 -0.89 1.06 0.00 0.00 176.91 178.05 3h5s n ILE 424 N -3.70 0.72 -0.02 -1.22 5.41 -0.71 -4.25 119.36 115.59 3h5s n ILE 424 Ca -0.14 0.31 -0.09 0.00 1.00 0.00 0.00 62.75 63.83 3h5s n ILE 424 Cb 1.06 -1.84 -0.03 0.00 -0.71 0.00 0.00 39.64 38.11 3h5s n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3h5s h LEU 425 N -0.43 -0.26 -0.20 1.39 3.38 -1.39 -0.82 115.31 116.97 3h5s h LEU 425 Ca 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3h5s h LEU 425 Cb 0.43 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3h5s h LEU 425 CO 0.00 -0.11 0.11 0.24 0.09 0.00 0.00 178.44 178.77 3h5s h MET 426 N -0.07 0.29 0.34 1.13 2.86 -1.15 -1.71 114.93 116.62 3h5s h MET 426 Ca 0.09 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3h5s h MET 426 Cb 0.20 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3h5s h MET 426 CO -0.19 0.29 -0.31 1.15 1.06 0.00 0.00 176.91 178.91 3h5s h THR 427 N 0.21 0.36 0.13 2.22 2.02 -1.63 -0.17 112.91 116.05 3h5s h THR 427 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 3h5s h THR 427 Cb 0.09 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3h5s h THR 427 CO -0.01 0.00 -0.06 -0.74 0.37 0.00 0.00 175.52 175.08 3h5s h HIS 428 N -0.66 -0.16 -0.01 3.16 6.17 -1.13 -2.02 115.15 120.50 3h5s h HIS 428 Ca -0.02 -0.00 -0.18 0.00 0.71 0.00 0.00 60.37 60.87 3h5s h HIS 428 Cb 0.59 0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.56 3h5s h HIS 428 CO -0.17 -0.10 -0.81 0.74 0.71 0.00 0.00 177.93 178.30 3h5s h PHE 429 N -0.17 0.22 -0.16 5.26 0.04 -1.27 -2.46 116.94 118.40 3h5s h PHE 429 Ca -0.02 -0.11 -0.11 0.00 2.80 0.00 0.00 57.97 60.53 3h5s h PHE 429 Cb 0.13 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3h5s h PHE 429 CO -0.07 0.89 -0.38 0.74 -0.60 0.00 0.00 178.31 178.89 3h5s h PHE 430 N 0.09 0.41 -0.22 -0.55 -1.00 -1.00 -0.88 116.94 113.79 3h5s h PHE 430 Ca -0.03 -0.11 0.01 0.00 2.81 0.00 0.00 57.97 60.66 3h5s h PHE 430 Cb 1.41 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.85 3h5s h PHE 430 CO 0.02 0.69 0.11 1.03 -1.61 0.00 0.00 178.31 178.54 3h5s h SER 431 N 0.30 0.15 -0.20 2.17 0.87 -1.22 -0.99 113.55 114.63 3h5s h SER 431 Ca 0.03 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3h5s h SER 431 Cb 0.81 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 3h5s h SER 431 CO 0.06 0.12 0.12 0.40 -0.53 0.00 0.00 176.83 177.01 3h5s h ILE 432 N 0.23 1.08 -0.77 2.23 2.04 -1.20 -2.68 117.51 118.43 3h5s h ILE 432 Ca 0.09 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3h5s h ILE 432 Cb 0.03 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3h5s h ILE 432 CO -0.07 0.07 0.44 -0.07 0.00 0.00 0.00 178.15 178.52 3h5s h LEU 433 N 0.25 0.95 0.09 1.44 3.38 -0.97 -2.09 115.31 118.36 3h5s h LEU 433 Ca 0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h5s h LEU 433 Cb 0.02 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3h5s h LEU 433 CO -0.01 0.75 -0.04 -0.07 0.09 0.00 0.00 178.44 179.16 3h5s h LEU 434 N 1.07 -0.10 -1.11 1.67 3.38 -1.12 -0.23 115.31 118.87 3h5s h LEU 434 Ca 0.27 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.21 3h5s h LEU 434 Cb 0.01 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3h5s h LEU 434 CO -0.05 0.04 0.60 0.00 0.09 0.00 0.00 178.44 179.13 3h5s h ALA 435 N 0.65 1.50 -0.35 1.53 0.00 -1.24 -1.80 119.26 119.55 3h5s h ALA 435 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h5s h ALA 435 Cb 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3h5s h ALA 435 CO 0.02 0.36 0.00 1.04 0.00 0.00 0.00 179.25 180.67 3h5s n GLN 436 N -4.50 2.16 -3.80 0.00 1.13 -0.81 -4.95 117.38 106.62 3h5s n GLN 436 Ca 0.14 -1.76 -0.26 0.00 -1.94 0.00 0.00 57.00 53.18 3h5s n GLN 436 Cb 0.21 -1.44 0.04 0.00 0.11 0.00 0.00 30.24 29.15 3h5s n GLN 436 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3h5s n GLU 437 N 0.96 -5.74 -0.08 -1.09 2.13 -0.61 -4.89 120.64 111.32 3h5s n GLU 437 Ca 0.18 0.65 0.06 0.00 0.66 0.00 0.00 57.16 58.70 3h5s n GLU 437 Cb 0.47 -5.47 0.10 0.00 0.27 0.00 0.00 31.44 26.80 3h5s n GLU 437 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3h5s n GLN 438 N -4.60 2.19 -0.33 5.31 6.02 -0.20 -4.67 117.38 121.10 3h5s n GLN 438 Ca -0.07 -2.15 0.15 0.00 -0.01 0.00 0.00 57.00 54.91 3h5s n GLN 438 Cb 0.58 -1.32 0.34 0.00 1.02 0.00 0.00 30.24 30.85 3h5s n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3h5s h LEU 439 N 0.29 0.58 0.00 1.08 4.07 -1.90 -2.25 115.31 117.17 3h5s h LEU 439 Ca 0.00 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3h5s h LEU 439 Cb 0.83 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.62 3h5s h LEU 439 CO 0.02 0.11 -0.36 -0.62 -1.08 0.00 0.00 178.44 176.50 3h5s n GLU 440 N -4.92 0.26 -2.25 1.13 1.02 -1.26 -2.99 120.64 111.63 3h5s n GLU 440 Ca 0.24 0.13 -0.43 0.00 -0.02 0.00 0.00 57.16 57.08 3h5s n GLU 440 Cb 0.67 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 3h5s n GLU 440 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3h5s s LYS 441 N -3.13 4.09 0.21 3.49 2.20 -0.85 -4.85 119.74 120.90 3h5s s LYS 441 Ca 0.08 1.74 -0.32 0.00 -0.36 0.00 0.00 55.97 57.12 3h5s s LYS 441 Cb 0.13 -3.89 -0.12 0.00 -1.51 0.00 0.00 37.83 32.44 3h5s s LYS 441 CO 0.67 -0.92 1.72 0.00 -0.36 0.00 0.00 175.35 176.46 3h5s s ALA 442 N 4.11 3.94 0.12 3.13 0.00 -1.26 -4.39 121.76 127.41 3h5s s ALA 442 Ca 0.63 1.59 0.10 0.00 0.00 0.00 0.00 51.96 54.28 3h5s s ALA 442 Cb -0.25 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 3h5s s ALA 442 CO 0.23 -0.92 -0.25 -0.51 0.00 0.00 0.00 175.76 174.30 3h5s s LEU 443 N 1.18 2.31 0.03 0.00 1.43 0.19 -4.83 118.68 118.99 3h5s s LEU 443 Ca 0.75 -0.72 -0.21 0.00 -1.03 0.00 0.00 54.13 52.92 3h5s s LEU 443 Cb -0.50 -1.09 -0.06 0.00 0.03 0.00 0.00 46.19 44.57 3h5s s LEU 443 CO 0.32 0.14 0.61 -1.81 0.23 0.00 0.00 176.35 175.84 3h5s s ASP 444 N -1.99 7.05 0.14 2.29 1.01 -1.26 0.16 116.67 124.07 3h5s s ASP 444 Ca 0.11 1.25 -0.01 0.00 0.71 0.00 0.00 52.55 54.60 3h5s s ASP 444 Cb -0.10 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3h5s s ASP 444 CO 0.05 0.15 0.07 0.00 0.21 0.00 0.00 175.17 175.66 3h5s s GLN 446 N -4.05 3.10 -0.13 0.00 -0.21 -1.26 -0.77 119.66 116.33 3h5s s GLN 446 Ca 0.25 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.86 3h5s s GLN 446 Cb 0.07 -2.65 0.02 0.00 1.00 0.00 0.00 33.01 31.45 3h5s s GLN 446 CO 0.02 -0.16 -0.15 0.42 -2.12 0.00 0.00 175.29 173.30 3h5s s ILE 447 N 1.22 1.58 -1.34 1.08 1.01 -0.54 -4.67 121.20 119.54 3h5s s ILE 447 Ca 0.03 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 3h5s s ILE 447 Cb -0.14 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 40.91 3h5s s ILE 447 CO -0.08 0.46 0.46 -1.22 0.00 0.00 0.00 174.94 174.56 3h5s n TYR 448 N 4.51 -1.79 0.00 3.97 4.01 -1.26 -2.01 117.16 124.59 3h5s n TYR 448 Ca -0.18 0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 3h5s n TYR 448 Cb 0.51 -3.39 0.00 0.00 -0.31 0.00 0.00 39.34 36.15 3h5s n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h5s n GLY 449 N -1.23 2.59 3.87 2.72 0.00 -1.26 -0.88 105.19 111.01 3h5s n GLY 449 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 3h5s n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5s s ALA 450 N -2.44 3.45 -0.23 4.61 0.00 -0.85 -4.24 121.76 122.07 3h5s s ALA 450 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 3h5s s ALA 450 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 3h5s s ALA 450 CO 0.00 0.28 0.19 0.00 0.00 0.00 0.00 175.76 176.23 3h5s s TYR 452 N 0.95 2.38 -0.30 0.00 1.51 0.05 -0.79 117.35 121.15 3h5s s TYR 452 Ca 0.09 -0.86 -0.18 0.00 -1.01 0.00 0.00 57.07 55.11 3h5s s TYR 452 Cb -0.13 -1.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 3h5s s TYR 452 CO 0.04 -0.32 0.53 0.45 -1.11 0.00 0.00 175.55 175.13 3h5s s SER 453 N 0.17 6.40 -0.08 2.29 0.15 -1.17 -1.49 113.70 119.96 3h5s s SER 453 Ca -0.12 0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.87 3h5s s SER 453 Cb -0.16 -2.28 0.02 0.00 -1.71 0.00 0.00 66.02 61.89 3h5s s SER 453 CO 0.06 -0.37 -0.09 -0.63 1.20 0.00 0.00 173.24 173.41 3h5s s ILE 454 N 2.38 0.97 -0.09 6.45 1.01 0.12 -4.86 121.20 127.19 3h5s s ILE 454 Ca 0.21 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 60.24 3h5s s ILE 454 Cb -0.15 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 3h5s s ILE 454 CO 0.11 0.33 0.96 -1.61 0.00 0.00 0.00 174.94 174.73 3h5s s GLU 455 N 1.07 4.44 0.50 2.79 2.02 -1.26 -0.64 118.70 127.62 3h5s s GLU 455 Ca -0.07 1.31 0.29 0.00 0.02 0.00 0.00 54.97 56.52 3h5s s GLU 455 Cb -0.14 -3.52 1.38 0.00 0.10 0.00 0.00 34.13 31.95 3h5s s GLU 455 CO -0.01 -0.23 1.82 -1.35 0.02 0.00 0.00 175.26 175.52 3h5s h PRO 456 N 7.04 0.13 0.00 0.39 0.11 -1.76 -0.73 132.00 137.17 3h5s h PRO 456 Ca -0.34 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 3h5s h PRO 456 Cb 1.17 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3h5s h PRO 456 CO 0.82 0.08 -0.05 -0.07 -0.21 0.00 0.00 178.00 178.58 3h5s h LEU 457 N 0.13 0.00 -0.60 2.35 3.38 -1.91 -2.11 115.31 116.56 3h5s h LEU 457 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 3h5s h LEU 457 Cb 1.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.58 3h5s h LEU 457 CO -0.09 0.05 0.00 0.47 0.09 0.00 0.00 178.44 178.95 3h5s n ASP 458 N -3.38 0.92 -0.13 -0.43 8.00 -0.28 -4.45 116.55 116.80 3h5s n ASP 458 Ca -0.02 -1.42 -0.04 0.00 0.71 0.00 0.00 54.79 54.02 3h5s n ASP 458 Cb 0.18 -0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.30 3h5s n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3h5s h LEU 459 N 1.34 0.07 -0.82 0.64 3.38 -1.51 -2.46 115.31 115.95 3h5s h LEU 459 Ca 0.00 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3h5s h LEU 459 Cb 0.29 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 3h5s h LEU 459 CO 0.00 0.07 0.47 -0.65 0.09 0.00 0.00 178.44 178.42 3h5s h PRO 460 N 0.26 0.76 -0.45 1.13 0.11 -1.84 0.15 132.00 132.12 3h5s h PRO 460 Ca 0.21 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.19 3h5s h PRO 460 Cb 0.24 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 3h5s h PRO 460 CO -0.25 0.50 -0.03 1.96 -0.21 0.00 0.00 178.00 179.97 3h5s h GLN 461 N 0.78 0.81 -0.33 1.05 7.50 -1.85 -0.60 115.11 122.48 3h5s h GLN 461 Ca 0.39 -0.28 -0.02 0.00 0.50 0.00 0.00 58.65 59.25 3h5s h GLN 461 Cb 0.36 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 3h5s h GLN 461 CO -0.25 0.89 0.13 0.82 -1.50 0.00 0.00 178.83 178.93 3h5s h ILE 462 N 0.65 1.18 -0.56 2.54 2.04 -0.92 -1.31 117.51 121.14 3h5s h ILE 462 Ca 0.12 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3h5s h ILE 462 Cb 0.55 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3h5s h ILE 462 CO 0.03 0.19 0.32 0.40 0.00 0.00 0.00 178.15 179.10 3h5s h ILE 463 N 0.38 1.17 -0.66 -0.67 2.04 -0.60 -1.74 117.51 117.43 3h5s h ILE 463 Ca 0.11 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.61 3h5s h ILE 463 Cb 0.18 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 3h5s h ILE 463 CO -0.01 0.18 0.36 -0.08 0.00 0.00 0.00 178.15 178.61 3h5s h GLU 464 N 0.75 0.65 -0.04 2.37 4.81 -0.82 -1.66 114.58 120.64 3h5s h GLU 464 Ca 0.20 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 3h5s h GLU 464 Cb 0.01 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3h5s h GLU 464 CO -0.04 0.43 -0.60 0.00 -0.73 0.00 0.00 179.01 178.08 3h5s h ARG 465 N 0.67 0.15 0.00 1.92 2.47 -0.90 0.64 114.38 119.33 3h5s h ARG 465 Ca 0.29 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 3h5s h ARG 465 Cb 0.18 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 3h5s h ARG 465 CO -0.18 0.70 -0.91 1.28 0.56 0.00 0.00 179.97 181.43 3h5s n LEU 466 N -3.86 0.67 0.00 3.04 4.77 -0.69 -4.66 117.00 116.28 3h5s n LEU 466 Ca -0.02 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3h5s n LEU 466 Cb 0.61 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3h5s n LEU 466 CO 0.43 -0.05 -0.09 1.41 -1.33 0.00 0.00 177.39 177.76 3h5s n HIS 467 N -2.19 0.00 0.00 -1.77 8.25 -0.65 -2.87 115.22 115.99 3h5s n HIS 467 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3h5s n HIS 467 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3h5s n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h5s n GLY 468 N 0.65 -1.43 0.28 -1.41 0.00 0.21 -4.51 105.19 98.99 3h5s n GLY 468 Ca 0.00 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.57 3h5s n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h5s h LEU 469 N 0.00 0.00 -2.28 0.99 3.38 -1.89 -2.06 115.31 113.45 3h5s h LEU 469 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3h5s h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h5s h LEU 469 CO 0.00 0.02 0.22 0.77 0.09 0.00 0.00 178.44 179.54 3h5s h SER 470 N 0.00 0.00 -0.79 -0.43 4.64 -1.97 -0.67 113.55 114.34 3h5s h SER 470 Ca -0.00 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 3h5s h SER 470 Cb 0.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 3h5s h SER 470 CO 0.00 0.00 0.53 0.00 -0.87 0.00 0.00 176.83 176.49 3h5s h ALA 471 N 1.67 2.27 -0.18 5.18 0.00 -1.60 0.60 119.26 127.20 3h5s h ALA 471 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h5s h ALA 471 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3h5s h ALA 471 CO -0.00 -0.50 0.00 1.19 0.00 0.00 0.00 179.25 179.94 3h5s n PHE 472 N -4.45 0.23 -0.09 0.00 3.72 -0.26 -4.37 117.46 112.24 3h5s n PHE 472 Ca 0.16 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3h5s n PHE 472 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 3h5s n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3h5s n SER 473 N 0.20 0.05 -4.77 4.37 7.64 0.15 -4.61 113.62 116.64 3h5s n SER 473 Ca 0.14 -0.30 -0.41 0.00 1.01 0.00 0.00 58.87 59.31 3h5s n SER 473 Cb 0.28 0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 3h5s n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h5s s LEU 474 N -0.65 4.37 0.29 -3.43 1.43 -0.87 -3.97 118.68 115.86 3h5s s LEU 474 Ca 0.00 2.87 -0.16 0.00 -1.03 0.00 0.00 54.13 55.81 3h5s s LEU 474 Cb 0.00 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.58 3h5s s LEU 474 CO 0.00 -0.71 0.64 -1.38 0.23 0.00 0.00 176.35 175.13 3h5s s HIS 475 N -1.12 0.14 -1.19 0.29 -3.43 0.20 -4.94 115.29 105.25 3h5s s HIS 475 Ca 0.51 -0.59 -0.04 0.00 -0.80 0.00 0.00 55.06 54.14 3h5s s HIS 475 Cb -0.43 0.50 -0.02 0.00 -1.43 0.00 0.00 32.58 31.20 3h5s s HIS 475 CO 0.58 -1.21 0.86 0.43 -2.00 0.00 0.00 174.74 173.40 3h5s n SER 476 N -0.68 -3.30 -4.65 7.38 7.64 -1.26 -0.60 113.62 118.14 3h5s n SER 476 Ca -0.04 -0.75 -0.31 0.00 1.01 0.00 0.00 58.87 58.79 3h5s n SER 476 Cb 0.60 -4.61 0.18 0.00 -1.01 0.00 0.00 64.21 59.37 3h5s n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3h5s s TYR 477 N -3.48 1.59 0.48 1.43 1.51 -1.26 -4.18 117.35 113.44 3h5s s TYR 477 Ca 0.17 1.71 -0.21 0.00 -1.01 0.00 0.00 57.07 57.73 3h5s s TYR 477 Cb -0.03 -3.31 -0.08 0.00 -0.11 0.00 0.00 41.96 38.43 3h5s s TYR 477 CO 0.77 -2.94 1.07 -1.54 -1.11 0.00 0.00 175.55 171.80 3h5s s SER 478 N -2.66 6.29 0.25 2.29 1.04 -1.21 -4.88 113.70 114.81 3h5s s SER 478 Ca 0.67 2.04 -0.07 0.00 0.48 0.00 0.00 55.95 59.07 3h5s s SER 478 Cb -0.23 -2.57 0.43 0.00 0.10 0.00 0.00 66.02 63.75 3h5s s SER 478 CO 0.59 -0.82 1.63 -0.65 0.98 0.00 0.00 173.24 174.97 3h5s h PRO 479 N 1.74 0.10 -0.27 4.02 0.11 -1.95 -1.20 132.00 134.55 3h5s h PRO 479 Ca -0.49 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3h5s h PRO 479 Cb 1.23 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3h5s h PRO 479 CO 0.59 0.06 -0.27 0.78 -0.21 0.00 0.00 178.00 178.96 3h5s h GLY 480 N 0.10 0.58 0.67 -0.55 0.00 -1.98 -0.33 103.07 101.56 3h5s h GLY 480 Ca 0.41 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 3h5s h GLY 480 CO -0.67 0.45 -0.23 -2.09 0.00 0.00 0.00 176.54 174.00 3h5s h GLU 481 N 0.46 0.31 -0.43 4.80 4.57 -1.91 -0.75 114.58 121.63 3h5s h GLU 481 Ca 0.06 -0.22 0.05 0.00 -1.18 0.00 0.00 59.36 58.07 3h5s h GLU 481 Cb 0.71 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 3h5s h GLU 481 CO 0.05 0.83 0.18 0.82 -1.18 0.00 0.00 179.01 179.71 3h5s h ILE 482 N -0.16 0.91 -0.88 2.32 2.04 -1.17 -1.96 117.51 118.61 3h5s h ILE 482 Ca -0.00 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3h5s h ILE 482 Cb 0.83 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3h5s h ILE 482 CO 0.05 0.07 0.50 0.78 0.00 0.00 0.00 178.15 179.54 3h5s h ASN 483 N 0.37 1.09 -0.56 1.72 4.21 -1.03 -1.62 115.58 119.75 3h5s h ASN 483 Ca 0.20 -0.09 -0.08 0.00 1.21 0.00 0.00 56.30 57.54 3h5s h ASN 483 Cb 0.15 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.05 3h5s h ASN 483 CO -0.17 0.86 0.03 -0.09 -1.29 0.00 0.00 177.43 176.77 3h5s h ARG 484 N 1.23 0.98 0.24 0.81 2.43 -0.77 -1.67 114.38 117.62 3h5s h ARG 484 Ca 0.31 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3h5s h ARG 484 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3h5s h ARG 484 CO -0.05 0.97 -0.11 0.28 -1.51 0.00 0.00 179.97 179.54 3h5s h VAL 485 N 0.86 0.83 -0.71 0.20 2.07 -1.07 -1.59 116.25 116.84 3h5s h VAL 485 Ca 0.16 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.29 3h5s h VAL 485 Cb 0.51 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 3h5s h VAL 485 CO 0.02 0.10 0.41 0.00 0.02 0.00 0.00 177.57 178.12 3h5s h ALA 486 N 0.14 0.96 -0.26 1.67 0.00 -1.30 -0.07 119.26 120.41 3h5s h ALA 486 Ca -0.03 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3h5s h ALA 486 Cb 0.41 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3h5s h ALA 486 CO 0.05 0.09 0.06 0.77 0.00 0.00 0.00 179.25 180.22 3h5s h SER 487 N 0.74 0.02 -0.59 0.00 0.02 -1.28 -1.50 113.55 110.97 3h5s h SER 487 Ca 0.32 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.35 3h5s h SER 487 Cb 0.19 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 3h5s h SER 487 CO -0.18 0.05 0.33 0.00 -1.14 0.00 0.00 176.83 175.88 3h5s h LEU 489 N 0.63 1.03 -0.13 0.00 3.38 -0.57 -1.38 115.31 118.28 3h5s h LEU 489 Ca 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3h5s h LEU 489 Cb 0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3h5s h LEU 489 CO -0.14 0.86 0.00 0.03 0.09 0.00 0.00 178.44 179.28 3h5s h ARG 490 N 1.13 0.22 -0.66 1.13 3.08 -0.94 0.17 114.38 118.51 3h5s h ARG 490 Ca 0.27 -0.07 0.12 0.00 0.07 0.00 0.00 59.98 60.38 3h5s h ARG 490 Cb 0.11 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.05 3h5s h ARG 490 CO -0.04 0.45 0.21 -0.22 -1.07 0.00 0.00 179.97 179.31 3h5s h LYS 491 N -0.04 0.35 0.00 0.04 3.64 -0.71 -2.88 116.57 116.98 3h5s h LYS 491 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3h5s h LYS 491 Cb 0.35 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3h5s h LYS 491 CO 0.01 0.23 -0.63 1.28 -2.27 0.00 0.00 179.45 178.07 3h5s n LEU 492 N -5.05 0.64 -0.90 5.20 4.77 -0.55 -4.90 117.00 116.20 3h5s n LEU 492 Ca 0.11 0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 56.22 3h5s n LEU 492 Cb 0.35 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3h5s n LEU 492 CO 0.18 -0.02 0.02 0.61 -1.33 0.00 0.00 177.39 176.86 3h5s n GLY 493 N 1.37 0.59 3.78 -0.72 0.00 -0.35 -1.60 105.19 108.27 3h5s n GLY 493 Ca 0.04 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 3h5s n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h5s s VAL 494 N -2.87 5.02 0.53 1.61 1.01 0.47 -1.44 120.40 124.73 3h5s s VAL 494 Ca 0.08 1.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.86 3h5s s VAL 494 Cb -0.04 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 3h5s s VAL 494 CO 0.10 0.46 0.93 -2.65 0.00 0.00 0.00 175.10 173.94 3h5s n PRO 495 N 2.63 1.05 -1.09 2.72 -0.02 -1.26 -4.53 135.00 134.51 3h5s n PRO 495 Ca -0.10 0.39 -0.30 0.00 -2.02 0.00 0.00 63.50 61.48 3h5s n PRO 495 Cb 0.52 -2.07 0.15 0.00 -0.02 0.00 0.00 33.50 32.08 3h5s n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h5s s PRO 496 N -2.38 1.05 0.54 0.52 0.04 -1.26 -4.81 135.00 128.69 3h5s s PRO 496 Ca 0.70 0.91 0.26 0.00 0.04 0.00 0.00 61.00 62.91 3h5s s PRO 496 Cb -0.47 -1.78 1.52 0.00 0.04 0.00 0.00 34.50 33.81 3h5s s PRO 496 CO 0.52 -2.41 2.13 -0.07 0.04 0.00 0.00 177.00 177.21 3h5s h LEU 497 N -1.68 0.00 -1.12 -3.56 3.38 -1.99 -1.83 115.31 108.51 3h5s h LEU 497 Ca -0.50 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 3h5s h LEU 497 Cb 1.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 3h5s h LEU 497 CO 0.53 0.08 0.38 0.08 0.09 0.00 0.00 178.44 179.60 3h5s h ARG 498 N 0.00 0.99 -0.43 1.13 0.11 -2.00 -1.52 114.38 112.66 3h5s h ARG 498 Ca -0.00 -0.11 -0.07 0.00 0.10 0.00 0.00 59.98 59.90 3h5s h ARG 498 Cb 0.21 -0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.07 3h5s h ARG 498 CO 0.01 0.74 -0.01 0.28 0.10 0.00 0.00 179.97 181.09 3h5s h VAL 499 N 1.00 1.26 -0.68 0.08 2.07 -1.68 -2.68 116.25 115.63 3h5s h VAL 499 Ca 0.25 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3h5s h VAL 499 Cb 0.04 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3h5s h VAL 499 CO -0.04 0.36 0.24 -0.50 0.02 0.00 0.00 177.57 177.64 3h5s h TRP 500 N 0.60 1.04 -0.78 1.57 4.06 -1.38 -1.27 115.95 119.80 3h5s h TRP 500 Ca 0.12 -0.08 0.03 0.00 2.06 0.00 0.00 58.89 61.02 3h5s h TRP 500 Cb 0.50 -0.31 -0.05 0.00 -1.00 0.00 0.00 29.16 28.31 3h5s h TRP 500 CO 0.04 0.81 0.49 -0.09 -3.56 0.00 0.00 178.44 176.13 3h5s h ARG 501 N 0.99 0.92 0.01 0.49 2.43 -1.13 -0.27 114.38 117.82 3h5s h ARG 501 Ca 0.22 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3h5s h ARG 501 Cb 0.24 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3h5s h ARG 501 CO -0.01 0.61 -0.00 1.25 -1.51 0.00 0.00 179.97 180.30 3h5s h HIS 502 N 0.95 -0.01 -0.59 2.20 2.76 -1.08 -2.44 115.15 116.93 3h5s h HIS 502 Ca 0.31 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.45 3h5s h HIS 502 Cb 0.03 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.96 3h5s h HIS 502 CO -0.03 0.02 0.25 0.00 -1.30 0.00 0.00 177.93 176.87 3h5s h ARG 503 N -0.04 0.85 -0.72 5.26 3.08 -1.04 -3.00 114.38 118.78 3h5s h ARG 503 Ca -0.00 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 3h5s h ARG 503 Cb 0.04 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3h5s h ARG 503 CO 0.00 0.69 0.22 0.00 -1.07 0.00 0.00 179.97 179.81 3h5s h ALA 504 N 1.44 0.95 -0.54 0.04 0.00 -0.83 0.20 119.26 120.51 3h5s h ALA 504 Ca 0.20 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3h5s h ALA 504 Cb 0.14 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3h5s h ALA 504 CO -0.02 0.63 0.27 0.00 0.00 0.00 0.00 179.25 180.14 3h5s h ARG 505 N 1.07 0.51 0.17 0.00 3.08 -1.32 0.65 114.38 118.54 3h5s h ARG 505 Ca 0.23 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 3h5s h ARG 505 Cb 0.32 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3h5s h ARG 505 CO -0.01 0.34 -0.08 1.03 -1.07 0.00 0.00 179.97 180.18 3h5s h SER 506 N 0.53 -0.19 -0.41 7.04 0.87 -1.30 -1.69 113.55 118.40 3h5s h SER 506 Ca 0.24 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 3h5s h SER 506 Cb 0.14 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 3h5s h SER 506 CO -0.16 -0.05 0.18 0.58 -0.53 0.00 0.00 176.83 176.85 3h5s h VAL 507 N -0.32 0.94 -0.67 2.23 2.07 -0.36 -0.50 116.25 119.65 3h5s h VAL 507 Ca -0.02 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.46 3h5s h VAL 507 Cb 0.25 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 3h5s h VAL 507 CO 0.04 0.07 0.31 -0.09 0.02 0.00 0.00 177.57 177.92 3h5s h ARG 508 N 0.38 0.52 0.10 1.57 2.43 0.37 0.31 114.38 120.05 3h5s h ARG 508 Ca 0.18 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3h5s h ARG 508 Cb 0.11 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3h5s h ARG 508 CO -0.15 0.34 -0.05 0.00 -1.51 0.00 0.00 179.97 178.61 3h5s h ALA 509 N 1.42 -0.14 -0.81 2.80 0.00 -0.74 -0.26 119.26 121.54 3h5s h ALA 509 Ca 0.33 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.24 3h5s h ALA 509 Cb 0.37 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 3h5s h ALA 509 CO -0.28 -0.45 0.39 0.00 0.00 0.00 0.00 179.25 178.91 3h5s h ARG 510 N -0.39 0.56 -0.31 0.00 3.08 -0.88 0.13 114.38 116.57 3h5s h ARG 510 Ca -0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3h5s h ARG 510 Cb 0.32 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3h5s h ARG 510 CO 0.02 0.37 0.08 -0.07 -1.07 0.00 0.00 179.97 179.30 3h5s h LEU 511 N 0.57 0.47 -1.05 3.04 3.38 -0.73 -3.11 115.31 117.88 3h5s h LEU 511 Ca 0.43 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 3h5s h LEU 511 Cb 0.61 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3h5s h LEU 511 CO -0.36 0.57 0.13 -0.07 0.09 0.00 0.00 178.44 178.80 3h5s h LEU 512 N 0.34 0.75 -0.94 1.67 3.38 0.16 -1.96 115.31 118.71 3h5s h LEU 512 Ca 0.10 -0.13 0.20 0.00 0.09 0.00 0.00 57.88 58.14 3h5s h LEU 512 Cb 0.29 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.73 3h5s h LEU 512 CO 0.00 0.74 0.51 0.28 0.09 0.00 0.00 178.44 180.06 3h5s h SER 513 N 0.78 0.58 0.34 -0.43 0.02 -0.75 -1.93 113.55 112.17 3h5s h SER 513 Ca 0.17 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.19 3h5s h SER 513 Cb 0.29 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3h5s h SER 513 CO -0.00 0.14 -0.29 1.56 -1.14 0.00 0.00 176.83 177.10 3h5s h GLN 514 N 0.59 0.00 0.00 3.45 1.08 -1.29 -3.49 115.11 115.44 3h5s h GLN 514 Ca 0.57 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.83 3h5s h GLN 514 Cb 0.98 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.40 3h5s h GLN 514 CO -0.44 0.29 -0.09 0.41 -0.95 0.00 0.00 178.83 178.05 3h5s n GLY 515 N -0.61 -2.03 7.00 3.46 0.00 -0.73 -4.83 105.19 107.45 3h5s n GLY 515 Ca -0.02 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3h5s n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5s n GLY 516 N -1.14 2.35 0.23 -0.02 0.00 -1.26 -1.44 105.19 103.90 3h5s n GLY 516 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.78 3h5s n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h5s h ARG 517 N 0.00 0.04 -0.45 1.61 3.08 -1.94 -1.54 114.38 115.18 3h5s h ARG 517 Ca 0.00 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3h5s h ARG 517 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3h5s h ARG 517 CO 0.00 0.20 -0.03 0.00 -1.07 0.00 0.00 179.97 179.06 3h5s h ALA 518 N 1.81 0.60 -0.80 0.04 0.00 -1.78 -2.27 119.26 116.87 3h5s h ALA 518 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3h5s h ALA 518 Cb 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3h5s h ALA 518 CO 0.02 0.43 0.48 0.00 0.00 0.00 0.00 179.25 180.18 3h5s h ALA 519 N 0.89 1.02 -0.93 0.00 0.00 -0.43 -1.53 119.26 118.28 3h5s h ALA 519 Ca 0.12 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3h5s h ALA 519 Cb 0.54 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3h5s h ALA 519 CO 0.03 0.49 0.60 1.15 0.00 0.00 0.00 179.25 181.52 3h5s h THR 520 N 1.09 1.07 -0.31 0.00 2.02 -1.17 0.30 112.91 115.92 3h5s h THR 520 Ca 0.29 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3h5s h THR 520 Cb -0.03 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 3h5s h THR 520 CO -0.05 0.19 0.13 0.00 0.37 0.00 0.00 175.52 176.15 3h5s h GLY 522 N 0.35 -0.32 0.77 0.00 0.00 -0.28 -1.45 103.07 102.14 3h5s h GLY 522 Ca 0.10 0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.76 3h5s h GLY 522 CO -0.01 -0.20 0.18 1.70 0.00 0.00 0.00 176.54 178.21 3h5s h LYS 523 N -0.35 0.36 0.02 4.80 3.64 -0.26 -2.82 116.57 121.96 3h5s h LYS 523 Ca 0.08 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.21 3h5s h LYS 523 Cb 0.46 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3h5s h LYS 523 CO -0.26 0.24 -1.25 1.88 -2.27 0.00 0.00 179.45 177.79 3h5s h TYR 524 N 0.37 0.07 0.00 1.91 -1.99 -1.32 -3.22 116.97 112.79 3h5s h TYR 524 Ca 0.17 -0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.79 3h5s h TYR 524 Cb 0.10 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 3h5s h TYR 524 CO -0.11 1.49 -0.30 -0.07 -0.00 0.00 0.00 178.16 179.17 3h5s h LEU 525 N -0.87 0.00 -2.70 3.88 3.38 -1.37 -3.29 115.31 114.35 3h5s h LEU 525 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3h5s h LEU 525 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3h5s h LEU 525 CO -0.16 0.30 -0.09 0.49 0.09 0.00 0.00 178.44 179.08 3h5s n PHE 526 N -3.54 0.00 0.29 1.13 3.72 -1.06 -4.67 117.46 113.32 3h5s n PHE 526 Ca -0.00 -0.66 0.14 0.00 -0.05 0.00 0.00 57.45 56.88 3h5s n PHE 526 Cb 0.45 -0.10 0.87 0.00 -0.94 0.00 0.00 39.48 39.75 3h5s n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3h5s h ASN 527 N 0.00 0.00 0.42 4.37 -1.24 -1.62 -0.84 115.58 116.67 3h5s h ASN 527 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 3h5s h ASN 527 Cb 0.97 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.02 3h5s h ASN 527 CO 0.00 0.03 -0.03 4.11 -1.29 0.00 0.00 177.43 180.25 3h5s h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.83 -3.20 115.95 116.67 3h5s h TRP 528 Ca -0.00 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.89 3h5s h TRP 528 Cb 0.08 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.23 3h5s h TRP 528 CO 0.00 0.03 -0.84 0.00 -1.28 0.00 0.00 178.44 176.34 3h5s h ALA 529 N 1.97 0.67 -2.08 0.11 0.00 -1.51 -3.47 119.26 114.96 3h5s h ALA 529 Ca -0.00 -0.38 -0.46 0.00 0.00 0.00 0.00 54.91 54.06 3h5s h ALA 529 Cb 0.25 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.12 3h5s h ALA 529 CO 0.00 0.45 -0.18 0.14 0.00 0.00 0.00 179.25 179.66 3h5s s VAL 530 N -3.10 4.40 -0.14 0.00 -7.23 -1.21 -4.80 120.40 108.33 3h5s s VAL 530 Ca 0.01 -0.60 0.12 0.00 -1.81 0.00 0.00 61.98 59.70 3h5s s VAL 530 Cb 0.08 -3.60 -0.24 0.00 0.56 0.00 0.00 36.38 33.19 3h5s s VAL 530 CO 0.77 -0.37 0.30 2.29 -0.31 0.00 0.00 175.10 177.78 3h5s n LYS 531 N -1.88 0.67 -2.74 4.82 2.85 -1.26 -4.48 118.16 116.13 3h5s n LYS 531 Ca -0.01 0.15 -0.43 0.00 -1.05 0.00 0.00 58.31 56.97 3h5s n LYS 531 Cb 0.57 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 3h5s n LYS 531 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3h5s n THR 532 N -2.99 4.20 -1.80 0.58 -1.04 -1.26 -5.00 114.28 106.97 3h5s n THR 532 Ca -0.28 -4.52 -0.41 0.00 -2.04 0.00 0.00 64.05 56.80 3h5s n THR 532 Cb 1.09 -2.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 3h5s n THR 532 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3h5s s LYS 533 N 1.81 4.00 0.77 -2.82 3.01 -1.26 -5.02 119.74 120.23 3h5s s LYS 533 Ca 0.44 2.54 -0.10 0.00 -1.01 0.00 0.00 55.97 57.84 3h5s s LYS 533 Cb 0.01 -2.89 0.07 0.00 -1.01 0.00 0.00 37.83 34.01 3h5s s LYS 533 CO 0.01 -0.61 1.12 -0.51 0.51 0.00 0.00 175.35 175.87 3h5s s LEU 534 N -2.25 2.61 -0.26 3.17 1.02 -1.26 -5.05 118.68 116.66 3h5s s LEU 534 Ca 0.55 0.66 -0.18 0.00 0.02 0.00 0.00 54.13 55.18 3h5s s LEU 534 Cb -0.46 -3.20 -0.03 0.00 0.02 0.00 0.00 46.19 42.52 3h5s s LEU 534 CO 0.62 -1.81 0.50 -0.75 0.02 0.00 0.00 176.35 174.93 3h5s s LYS 535 N -5.46 4.07 -0.37 1.70 2.47 -1.26 -5.05 119.74 115.83 3h5s s LYS 535 Ca 0.61 0.30 -0.18 0.00 -1.56 0.00 0.00 55.97 55.14 3h5s s LYS 535 Cb -0.11 -3.65 0.00 0.00 -1.46 0.00 0.00 37.83 32.62 3h5s s LYS 535 CO 0.47 -0.34 0.51 -0.51 0.16 0.00 0.00 175.35 175.65 3h5s s LEU 536 N 2.26 4.44 0.19 5.43 1.43 -1.26 -5.06 118.68 126.11 3h5s s LEU 536 Ca 0.21 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 3h5s s LEU 536 Cb -0.16 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 3h5s s LEU 536 CO 0.09 -0.52 0.15 0.42 0.23 0.00 0.00 176.35 176.72 3h5s s THR 537 N 2.39 4.49 0.22 5.49 -4.23 -1.26 -5.07 115.64 117.67 3h5s s THR 537 Ca 0.18 -1.16 -0.30 0.00 -1.18 0.00 0.00 61.69 59.24 3h5s s THR 537 Cb -0.16 -3.33 -0.16 0.00 1.34 0.00 0.00 72.50 70.20 3h5s s THR 537 CO 0.14 -0.17 0.89 -2.65 -0.54 0.00 0.00 174.62 172.30 3h5s n PRO 538 N -0.56 0.83 -3.10 3.99 -0.02 -1.26 -4.93 135.00 129.96 3h5s n PRO 538 Ca -0.08 0.29 -0.40 0.00 -2.02 0.00 0.00 63.50 61.29 3h5s n PRO 538 Cb 0.55 -1.58 -0.05 0.00 -0.02 0.00 0.00 33.50 32.40 3h5s n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h5s s ILE 539 N -0.80 5.05 0.24 4.25 1.01 -1.26 -4.97 121.20 124.71 3h5s s ILE 539 Ca 0.65 1.30 -0.05 0.00 0.00 0.00 0.00 60.65 62.55 3h5s s ILE 539 Cb -0.83 -3.98 0.20 0.00 0.01 0.00 0.00 42.46 37.86 3h5s s ILE 539 CO 0.57 0.20 1.80 -0.65 0.00 0.00 0.00 174.94 176.86 3h5s h PRO 540 N 7.03 0.72 0.00 2.79 0.11 -2.03 -1.22 132.00 139.40 3h5s h PRO 540 Ca -0.37 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3h5s h PRO 540 Cb 1.17 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3h5s h PRO 540 CO 0.77 0.48 -0.03 0.00 -0.21 0.00 0.00 178.00 179.00 3h5s h ALA 541 N 1.44 1.14 -0.11 -0.75 0.00 -2.00 -2.83 119.26 116.15 3h5s h ALA 541 Ca 0.38 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 3h5s h ALA 541 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3h5s h ALA 541 CO -0.25 0.04 -0.42 0.00 0.00 0.00 0.00 179.25 178.62 3h5s h ALA 542 N 1.97 1.09 0.00 0.00 0.00 -1.54 -2.41 119.26 118.37 3h5s h ALA 542 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3h5s h ALA 542 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3h5s h ALA 542 CO 0.00 0.59 -0.08 0.66 0.00 0.00 0.00 179.25 180.43 3h5s h SER 543 N 0.21 0.00 0.50 0.00 4.64 -1.57 -3.27 113.55 114.06 3h5s h SER 543 Ca 0.02 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 3h5s h SER 543 Cb 0.83 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 3h5s h SER 543 CO 0.06 0.08 -1.55 0.54 -0.87 0.00 0.00 176.83 175.10 3h5s n ARG 544 N -3.18 0.63 -1.68 4.77 5.12 -1.07 -4.96 116.66 116.30 3h5s n ARG 544 Ca 0.01 0.01 -0.45 0.00 -1.93 0.00 0.00 57.85 55.49 3h5s n ARG 544 Cb 0.41 -1.69 -0.04 0.00 -1.16 0.00 0.00 32.46 29.98 3h5s n ARG 544 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3h5s n LEU 545 N -2.56 3.57 -4.54 0.55 4.77 -0.93 -4.90 117.00 112.95 3h5s n LEU 545 Ca -0.06 1.03 -0.41 0.00 -0.03 0.00 0.00 56.01 56.54 3h5s n LEU 545 Cb 0.65 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.24 3h5s n LEU 545 CO 0.43 -0.04 1.31 -0.62 -1.33 0.00 0.00 177.39 177.14 3h5s s ASP 546 N 2.05 6.43 -0.33 -1.43 2.15 -1.26 -4.81 116.67 119.47 3h5s s ASP 546 Ca 0.82 -1.30 0.06 0.00 0.43 0.00 0.00 52.55 52.55 3h5s s ASP 546 Cb -0.60 -2.54 0.60 0.00 -0.30 0.00 0.00 42.92 40.09 3h5s s ASP 546 CO 0.39 -1.51 1.72 0.18 -0.17 0.00 0.00 175.17 175.78 3h5s n LEU 547 N 8.61 5.86 -4.80 -1.34 4.32 -1.26 -4.91 117.00 123.48 3h5s n LEU 547 Ca 0.24 -3.09 -0.33 0.00 -0.02 0.00 0.00 56.01 52.81 3h5s n LEU 547 Cb 0.50 -0.75 -0.02 0.00 -1.62 0.00 0.00 43.42 41.53 3h5s n LEU 547 CO 0.65 0.86 0.71 -0.94 -1.22 0.00 0.00 177.39 177.45 3h5s s SER 548 N -0.87 6.13 0.00 -1.43 1.04 -1.26 -3.10 113.70 114.21 3h5s s SER 548 Ca 0.48 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.76 3h5s s SER 548 Cb 0.39 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.97 3h5s s SER 548 CO 0.10 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.01 3h5s n GLY 549 N -0.67 2.39 3.71 7.32 0.00 -1.26 -5.02 105.19 111.67 3h5s n GLY 549 Ca 0.09 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3h5s n GLY 549 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h5s s TRP 550 N -0.98 3.58 -1.32 1.61 0.52 -1.18 -4.14 118.94 117.03 3h5s s TRP 550 Ca 0.00 1.55 -0.03 0.00 0.02 0.00 0.00 56.10 57.64 3h5s s TRP 550 Cb 0.00 -3.24 0.01 0.00 -1.15 0.00 0.00 33.47 29.09 3h5s s TRP 550 CO 0.00 -0.53 0.88 1.19 0.02 0.00 0.00 176.95 178.51 3h5s n PHE 551 N 3.69 -2.15 -0.11 -1.98 3.72 -1.26 -4.88 117.46 114.49 3h5s n PHE 551 Ca 0.07 0.90 -0.19 0.00 -0.05 0.00 0.00 57.45 58.18 3h5s n PHE 551 Cb 0.49 -4.59 -0.06 0.00 -0.94 0.00 0.00 39.48 34.38 3h5s n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3h5s n VAL 552 N -4.38 1.50 -4.04 -4.37 0.31 -1.25 -4.47 118.33 101.63 3h5s n VAL 552 Ca -0.21 -0.11 -0.10 0.00 -0.01 0.00 0.00 64.34 63.91 3h5s n VAL 552 Cb 0.64 -2.11 -0.07 0.00 -0.91 0.00 0.00 33.84 31.39 3h5s n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h5s s ALA 553 N -2.70 0.17 0.20 3.52 0.00 -1.24 -3.86 121.76 117.85 3h5s s ALA 553 Ca -0.33 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 3h5s s ALA 553 Cb 0.09 1.09 -0.07 0.00 0.00 0.00 0.00 23.12 24.23 3h5s s ALA 553 CO 0.45 -0.73 0.55 0.20 0.00 0.00 0.00 175.76 176.22 3h5s s GLY 554 N -3.04 2.33 0.00 0.00 0.00 -1.26 -4.91 107.32 100.44 3h5s s GLY 554 Ca 0.25 -0.23 0.15 0.00 0.00 0.00 0.00 44.72 44.89 3h5s s GLY 554 CO 0.07 -0.05 1.07 -1.72 0.00 0.00 0.00 173.10 172.47 3h5s n TYR 555 N 0.15 0.00 -1.68 1.90 4.01 -0.06 -4.58 117.16 116.90 3h5s n TYR 555 Ca -0.01 -0.40 -0.44 0.00 -0.16 0.00 0.00 57.90 56.89 3h5s n TYR 555 Cb 0.52 0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.54 3h5s n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h5s n SER 556 N 0.29 3.77 0.00 7.72 2.88 -1.25 -0.60 113.62 126.43 3h5s n SER 556 Ca -0.03 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 3h5s n SER 556 Cb 0.95 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 3h5s n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h5s n GLY 557 N 4.12 1.61 0.59 0.46 0.00 -1.26 -4.10 105.19 106.60 3h5s n GLY 557 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3h5s n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5s n GLY 558 N -2.00 0.27 3.52 -0.02 0.00 0.23 -2.72 105.19 104.47 3h5s n GLY 558 Ca 0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 3h5s n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h5s n ASP 559 N 0.42 -3.50 -4.43 1.61 2.03 -1.26 -4.53 116.55 106.90 3h5s n ASP 559 Ca 0.18 -0.61 -0.33 0.00 0.52 0.00 0.00 54.79 54.55 3h5s n ASP 559 Cb 0.39 -4.99 -0.14 0.00 -0.72 0.00 0.00 41.12 35.66 3h5s n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3h5s s ILE 560 N -3.36 3.16 -0.01 5.18 -1.09 -1.26 -4.29 121.20 119.52 3h5s s ILE 560 Ca 0.21 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 58.03 3h5s s ILE 560 Cb -0.10 -2.30 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 3h5s s ILE 560 CO 0.74 0.55 -0.13 -0.47 -1.23 0.00 0.00 174.94 174.39 3h5s s TYR 561 N -0.05 1.23 0.00 3.97 5.04 0.01 -0.51 117.35 127.05 3h5s s TYR 561 Ca -0.02 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 3h5s s TYR 561 Cb -0.14 -0.80 0.00 0.00 0.35 0.00 0.00 41.96 41.37 3h5s s TYR 561 CO 0.04 -0.04 0.37 0.72 -1.34 0.00 0.00 175.55 175.29