#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cde s MET 2 N 0.00 4.46 0.29 4.33 1.00 -1.26 -1.58 119.30 126.54 3cde s MET 2 Ca 0.00 1.86 -0.01 0.00 0.00 0.00 0.00 55.69 57.54 3cde s MET 2 Cb 0.00 -3.28 0.48 0.00 0.00 0.00 0.00 34.83 32.03 3cde s MET 2 CO 0.00 -0.17 1.91 0.66 0.00 0.00 0.00 175.02 177.41 3cde h SER 3 N 5.90 0.96 -4.82 3.03 4.64 -1.37 -3.40 113.55 118.49 3cde h SER 3 Ca -0.43 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.72 3cde h SER 3 Cb 1.21 -0.20 -0.22 0.00 -0.31 0.00 0.00 62.40 62.88 3cde h SER 3 CO 0.78 0.62 -0.68 -0.31 -0.87 0.00 0.00 176.83 176.37 3cde s TYR 4 N -5.95 0.21 -0.07 4.77 2.02 -1.26 -0.55 117.35 116.51 3cde s TYR 4 Ca -0.12 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.20 3cde s TYR 4 Cb 0.20 -0.15 -0.01 0.00 -0.40 0.00 0.00 41.96 41.59 3cde s TYR 4 CO 0.80 -0.17 -0.21 0.99 -1.57 0.00 0.00 175.55 175.39 3cde s THR 5 N -1.26 2.39 -0.02 -0.71 2.01 -0.17 -4.83 115.64 113.05 3cde s THR 5 Ca -0.14 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 60.97 3cde s THR 5 Cb -0.09 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 3cde s THR 5 CO -0.01 0.57 -0.15 0.26 -0.69 0.00 0.00 174.62 174.60 3cde s TRP 6 N -0.14 2.66 -0.16 4.92 0.52 -1.26 0.01 118.94 125.48 3cde s TRP 6 Ca -0.03 -0.19 0.17 0.00 0.02 0.00 0.00 56.10 56.07 3cde s TRP 6 Cb -0.14 -1.58 -0.02 0.00 -1.15 0.00 0.00 33.47 30.59 3cde s TRP 6 CO 0.04 0.21 1.14 1.79 0.02 0.00 0.00 176.95 180.15 3cde h THR 7 N 4.19 0.57 0.00 2.01 1.35 -1.36 -3.47 112.91 116.20 3cde h THR 7 Ca -0.47 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.46 3cde h THR 7 Cb 1.15 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 3cde h THR 7 CO 0.50 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 3cde n GLY 8 N 1.29 1.49 3.77 5.82 0.00 -1.26 -5.06 105.19 111.24 3cde n GLY 8 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3cde n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cde s ALA 9 N -2.19 3.43 0.58 4.61 0.00 -1.26 -4.99 121.76 121.94 3cde s ALA 9 Ca 0.00 1.22 -0.15 0.00 0.00 0.00 0.00 51.96 53.03 3cde s ALA 9 Cb 0.00 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 3cde s ALA 9 CO 0.00 -0.64 1.02 -0.51 0.00 0.00 0.00 175.76 175.64 3cde s LEU 10 N -1.92 3.45 -0.25 0.00 1.43 -1.26 -4.79 118.68 115.34 3cde s LEU 10 Ca 0.50 1.62 -0.27 0.00 -1.03 0.00 0.00 54.13 54.95 3cde s LEU 10 Cb -0.38 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.33 3cde s LEU 10 CO 0.51 -0.91 0.96 -0.63 0.23 0.00 0.00 176.35 176.51 3cde s ILE 11 N -2.74 4.72 0.06 -0.59 1.01 -1.26 -4.78 121.20 117.63 3cde s ILE 11 Ca 0.59 1.78 0.04 0.00 0.00 0.00 0.00 60.65 63.07 3cde s ILE 11 Cb -0.12 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 3cde s ILE 11 CO 0.40 -0.18 -0.02 0.42 0.00 0.00 0.00 174.94 175.55 3cde s THR 12 N 3.12 3.89 0.52 2.92 -4.23 -1.26 -4.81 115.64 115.80 3cde s THR 12 Ca 0.40 -0.93 -0.13 0.00 -1.18 0.00 0.00 61.69 59.86 3cde s THR 12 Cb -0.15 -2.81 -0.06 0.00 1.34 0.00 0.00 72.50 70.83 3cde s THR 12 CO 0.08 0.21 0.95 -2.16 -0.54 0.00 0.00 174.62 173.15 3cde s PRO 13 N -2.03 3.79 0.06 3.99 0.04 -1.26 -4.36 135.00 135.24 3cde s PRO 13 Ca 0.23 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 61.90 3cde s PRO 13 Cb -0.11 -2.18 -0.27 0.00 0.04 0.00 0.00 34.50 31.97 3cde s PRO 13 CO 0.15 -0.31 1.12 0.00 0.04 0.00 0.00 177.00 178.00 3cde s ALA 15 N -2.90 0.87 0.35 0.00 0.00 -1.26 -5.14 121.76 113.68 3cde s ALA 15 Ca -0.08 -1.54 -0.26 0.00 0.00 0.00 0.00 51.96 50.08 3cde s ALA 15 Cb 0.06 1.26 -0.12 0.00 0.00 0.00 0.00 23.12 24.32 3cde s ALA 15 CO 0.92 -0.73 0.97 0.00 0.00 0.00 0.00 175.76 176.93 3cde n ALA 16 N -0.46 -0.14 -3.30 0.00 0.00 -1.26 -4.99 120.51 110.36 3cde n ALA 16 Ca 0.02 0.31 -0.32 0.00 0.00 0.00 0.00 53.44 53.44 3cde n ALA 16 Cb 0.63 -2.03 -0.17 0.00 0.00 0.00 0.00 19.45 17.88 3cde n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3cde s GLU 17 N -1.75 3.04 -0.09 0.00 2.02 -1.26 -5.11 118.70 115.55 3cde s GLU 17 Ca 0.61 -0.88 -0.20 0.00 0.02 0.00 0.00 54.97 54.52 3cde s GLU 17 Cb -0.63 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 3cde s GLU 17 CO 0.59 0.15 0.58 -1.21 0.02 0.00 0.00 175.26 175.38 3cde s GLU 18 N 0.42 4.38 -0.06 1.61 2.02 -1.26 -4.94 118.70 120.87 3cde s GLU 18 Ca -0.17 0.64 0.17 0.00 0.02 0.00 0.00 54.97 55.63 3cde s GLU 18 Cb -0.18 -3.44 -0.25 0.00 0.10 0.00 0.00 34.13 30.37 3cde s GLU 18 CO 0.07 0.13 0.29 -1.13 0.02 0.00 0.00 175.26 174.63 3cde n SER 19 N 3.68 1.00 -4.82 -0.19 3.41 -1.26 -4.55 113.62 110.90 3cde n SER 19 Ca -0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.19 3cde n SER 19 Cb 0.51 1.53 -0.06 0.00 -0.26 0.00 0.00 64.21 65.94 3cde n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3cde s LYS 20 N -2.97 4.11 -0.09 4.33 -0.14 -1.26 -1.10 119.74 122.62 3cde s LYS 20 Ca -0.07 0.64 -0.34 0.00 -1.36 0.00 0.00 55.97 54.84 3cde s LYS 20 Cb 0.09 -3.12 -0.12 0.00 -1.68 0.00 0.00 37.83 33.00 3cde s LYS 20 CO 0.71 0.58 1.88 -0.11 -0.76 0.00 0.00 175.35 177.65 3cde n LEU 21 N 1.38 3.44 -4.77 3.17 7.94 -1.24 -4.88 117.00 122.04 3cde n LEU 21 Ca -0.09 0.97 -0.39 0.00 -1.11 0.00 0.00 56.01 55.40 3cde n LEU 21 Cb 0.51 -1.37 -0.01 0.00 0.53 0.00 0.00 43.42 43.08 3cde n LEU 21 CO 0.41 -0.06 0.89 -2.84 -1.11 0.00 0.00 177.39 174.68 3cde s PRO 22 N 4.07 3.97 -0.07 1.96 0.02 -1.26 -5.04 135.00 138.65 3cde s PRO 22 Ca 0.93 1.96 0.04 0.00 0.02 0.00 0.00 61.00 63.94 3cde s PRO 22 Cb -0.70 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.15 3cde s PRO 22 CO 0.52 -0.42 -0.19 0.42 -0.33 0.00 0.00 177.00 176.99 3cde s ILE 23 N -1.36 1.64 0.00 2.83 -1.09 -1.26 -4.66 121.20 117.30 3cde s ILE 23 Ca 0.58 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 3cde s ILE 23 Cb -0.33 -1.43 0.00 0.00 -1.58 0.00 0.00 42.46 39.12 3cde s ILE 23 CO 0.42 0.47 0.00 -0.46 -1.23 0.00 0.00 174.94 174.14 3cde n ASN 24 N 3.45 0.86 0.14 3.58 0.23 -1.26 -5.02 115.26 117.25 3cde n ASN 24 Ca -0.20 -0.73 0.12 0.00 -0.53 0.00 0.00 54.58 53.24 3cde n ASN 24 Cb 0.52 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.75 3cde n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3cde n ALA 25 N -3.00 1.48 0.40 -2.53 0.00 -1.26 -2.72 120.51 112.88 3cde n ALA 25 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.67 3cde n ALA 25 Cb 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 3cde n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cde n LEU 26 N -2.26 0.49 0.06 0.00 4.77 -1.26 -4.61 117.00 114.18 3cde n LEU 26 Ca 0.01 -0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.81 3cde n LEU 26 Cb 0.17 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3cde n LEU 26 CO 0.17 0.04 0.68 0.28 -1.33 0.00 0.00 177.39 177.24 3cde h SER 27 N 0.00 -0.80 -0.19 -1.43 0.02 -1.86 -2.49 113.55 106.80 3cde h SER 27 Ca 0.00 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3cde h SER 27 Cb 0.81 0.32 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3cde h SER 27 CO 0.00 -0.34 0.15 0.78 -1.14 0.00 0.00 176.83 176.28 3cde h ASN 28 N -0.41 0.00 0.33 3.07 2.35 -1.79 -0.43 115.58 118.70 3cde h ASN 28 Ca 0.06 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3cde h ASN 28 Cb 0.50 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 3cde h ASN 28 CO -0.23 0.00 -0.14 0.77 -1.65 0.00 0.00 177.43 176.17 3cde h SER 29 N 0.00 0.00 0.03 5.81 4.64 -1.74 -3.22 113.55 119.07 3cde h SER 29 Ca 0.09 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.03 3cde h SER 29 Cb 0.38 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.42 3cde h SER 29 CO -0.00 0.14 -2.19 -0.11 -0.87 0.00 0.00 176.83 173.80 3cde n LEU 30 N -3.79 2.50 -3.67 5.97 7.94 -0.25 -4.69 117.00 121.01 3cde n LEU 30 Ca -0.02 0.14 -0.09 0.00 -1.11 0.00 0.00 56.01 54.93 3cde n LEU 30 Cb 0.25 -0.96 -0.09 0.00 0.53 0.00 0.00 43.42 43.15 3cde n LEU 30 CO 0.32 0.74 0.21 -0.22 -1.11 0.00 0.00 177.39 177.33 3cde s LEU 31 N -7.08 -0.49 -0.10 -1.96 0.20 -0.71 -4.19 118.68 104.35 3cde s LEU 31 Ca -0.32 1.21 0.20 0.00 0.69 0.00 0.00 54.13 55.91 3cde s LEU 31 Cb 0.09 1.89 -0.29 0.00 -0.43 0.00 0.00 46.19 47.45 3cde s LEU 31 CO 0.62 -0.21 0.30 0.54 -0.29 0.00 0.00 176.35 177.30 3cde n ARG 32 N 4.08 0.70 -2.37 1.98 5.12 -0.58 -3.97 116.66 121.62 3cde n ARG 32 Ca -0.21 -0.12 -0.42 0.00 -1.93 0.00 0.00 57.85 55.18 3cde n ARG 32 Cb 0.57 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 3cde n ARG 32 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3cde n HIS 33 N -2.45 2.66 -0.13 -1.55 8.25 -0.75 -4.79 115.22 116.46 3cde n HIS 33 Ca -0.16 -2.73 0.12 0.00 -0.26 0.00 0.00 57.72 54.69 3cde n HIS 33 Cb 0.81 -1.69 0.48 0.00 1.12 0.00 0.00 29.99 30.71 3cde n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3cde h HIS 34 N 5.10 0.51 0.00 4.41 3.86 -1.84 -2.03 115.15 125.15 3cde h HIS 34 Ca 0.48 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 3cde h HIS 34 Cb 0.47 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.78 3cde h HIS 34 CO 1.34 0.23 0.00 0.27 0.86 0.00 0.00 177.93 180.63 3cde n ASN 35 N -4.48 0.47 0.10 2.45 6.94 -1.26 -1.97 115.26 117.52 3cde n ASN 35 Ca 0.12 0.65 0.13 0.00 -0.02 0.00 0.00 54.58 55.45 3cde n ASN 35 Cb 0.40 -0.74 0.29 0.00 -2.36 0.00 0.00 39.78 37.38 3cde n ASN 35 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 3cde h MET 36 N 0.00 0.00 -5.48 -3.83 2.86 -1.77 -3.46 114.93 103.25 3cde h MET 36 Ca 0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 3cde h MET 36 Cb 0.20 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.71 3cde h MET 36 CO 0.00 0.00 -0.57 0.08 1.06 0.00 0.00 176.91 177.48 3cde s VAL 37 N -3.14 4.69 0.08 -2.22 1.01 -0.83 -0.17 120.40 119.83 3cde s VAL 37 Ca 0.08 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 3cde s VAL 37 Cb 0.12 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 3cde s VAL 37 CO 0.65 0.52 0.15 -0.72 0.00 0.00 0.00 175.10 175.70 3cde s TYR 38 N -0.09 0.21 -0.02 5.22 1.13 -0.71 -3.73 117.35 119.36 3cde s TYR 38 Ca 0.06 -0.66 0.04 0.00 -1.41 0.00 0.00 57.07 55.10 3cde s TYR 38 Cb -0.12 -0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.60 3cde s TYR 38 CO 0.01 -0.52 -0.14 0.00 -2.51 0.00 0.00 175.55 172.40 3cde s ALA 39 N -3.87 2.70 0.53 9.51 0.00 -0.26 -1.27 121.76 129.10 3cde s ALA 39 Ca 0.05 -1.03 -0.19 0.00 0.00 0.00 0.00 51.96 50.79 3cde s ALA 39 Cb 0.05 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 3cde s ALA 39 CO -0.11 0.57 1.08 0.95 0.00 0.00 0.00 175.76 178.25 3cde s THR 40 N -0.81 3.55 0.12 0.00 -4.23 0.14 -4.41 115.64 110.00 3cde s THR 40 Ca 0.13 0.92 -0.03 0.00 -1.18 0.00 0.00 61.69 61.53 3cde s THR 40 Cb -0.11 -3.37 -0.03 0.00 1.34 0.00 0.00 72.50 70.34 3cde s THR 40 CO 0.03 -0.25 0.10 0.42 -0.54 0.00 0.00 174.62 174.37 3cde s THR 41 N -1.99 0.12 0.62 3.99 -4.23 -1.26 -3.98 115.64 108.90 3cde s THR 41 Ca 0.69 -1.73 0.29 0.00 -1.18 0.00 0.00 61.69 59.75 3cde s THR 41 Cb -0.19 -1.87 0.35 0.00 1.34 0.00 0.00 72.50 72.13 3cde s THR 41 CO 0.26 -0.53 1.91 0.77 -0.54 0.00 0.00 174.62 176.49 3cde h SER 42 N 2.83 0.00 0.37 3.99 4.64 -1.86 -1.97 113.55 121.55 3cde h SER 42 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3cde h SER 42 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3cde h SER 42 CO 0.58 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.08 3cde n ARG 43 N -3.42 0.15 -0.18 4.77 3.00 -1.26 -1.19 116.66 118.54 3cde n ARG 43 Ca 0.04 0.51 0.07 0.00 -0.01 0.00 0.00 57.85 58.47 3cde n ARG 43 Cb 0.54 -1.88 0.17 0.00 0.00 0.00 0.00 32.46 31.29 3cde n ARG 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3cde n SER 44 N -2.18 3.01 0.04 0.55 3.41 -0.74 -4.64 113.62 113.06 3cde n SER 44 Ca 0.00 -1.91 0.02 0.00 -0.26 0.00 0.00 58.87 56.72 3cde n SER 44 Cb 0.13 -0.24 0.37 0.00 -0.26 0.00 0.00 64.21 64.21 3cde n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cde h ALA 45 N 2.74 1.52 -0.68 7.33 0.00 -1.28 -2.29 119.26 126.59 3cde h ALA 45 Ca 0.00 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.86 3cde h ALA 45 Cb 0.76 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 3cde h ALA 45 CO 0.00 0.36 0.32 0.78 0.00 0.00 0.00 179.25 180.71 3cde h GLY 46 N 0.70 1.01 0.95 0.00 0.00 -1.82 0.30 103.07 104.20 3cde h GLY 46 Ca 0.10 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.25 3cde h GLY 46 CO 0.00 0.04 0.37 1.41 0.00 0.00 0.00 176.54 178.36 3cde h LEU 47 N 0.55 0.62 -0.29 3.11 3.38 -1.76 -2.43 115.31 118.49 3cde h LEU 47 Ca 0.34 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3cde h LEU 47 Cb 0.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3cde h LEU 47 CO -0.28 0.44 0.10 -0.09 0.09 0.00 0.00 178.44 178.71 3cde h ARG 48 N 0.74 0.44 -0.85 1.13 9.65 -1.33 -2.97 114.38 121.19 3cde h ARG 48 Ca 0.22 -0.09 0.17 0.00 -1.10 0.00 0.00 59.98 59.19 3cde h ARG 48 Cb -0.04 -0.07 -0.11 0.00 -1.39 0.00 0.00 29.97 28.37 3cde h ARG 48 CO -0.07 0.48 0.39 1.96 2.80 0.00 0.00 179.97 185.54 3cde h GLN 49 N 0.31 0.49 -0.24 0.20 4.20 -0.69 -0.75 115.11 118.63 3cde h GLN 49 Ca 0.09 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3cde h GLN 49 Cb 0.22 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3cde h GLN 49 CO -0.00 0.32 0.12 -0.22 -0.67 0.00 0.00 178.83 178.38 3cde h LYS 50 N 0.51 0.25 -0.32 1.46 3.64 -1.30 -2.71 116.57 118.10 3cde h LYS 50 Ca 0.49 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.76 3cde h LYS 50 Cb 0.80 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3cde h LYS 50 CO -0.43 0.17 -0.21 0.87 -2.27 0.00 0.00 179.45 177.58 3cde h LYS 51 N 0.26 0.61 -0.01 1.90 1.57 -1.05 -3.17 116.57 116.67 3cde h LYS 51 Ca 0.10 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3cde h LYS 51 Cb 0.02 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3cde h LYS 51 CO -0.06 0.77 -0.07 1.33 -0.57 0.00 0.00 179.45 180.85 3cde n VAL 52 N -4.13 0.00 -3.58 0.50 0.24 -0.42 -4.77 118.33 106.16 3cde n VAL 52 Ca 0.00 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.34 61.69 3cde n VAL 52 Cb 0.40 0.42 -0.10 0.00 -1.47 0.00 0.00 33.84 33.09 3cde n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3cde s THR 53 N -2.15 4.54 0.21 3.34 2.01 -1.03 -4.66 115.64 117.88 3cde s THR 53 Ca 0.34 -1.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 3cde s THR 53 Cb 0.21 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 69.14 3cde s THR 53 CO 0.39 -0.35 0.67 0.72 -0.69 0.00 0.00 174.62 175.36 3cde s PHE 54 N 1.53 -0.38 0.31 4.92 -0.71 -1.26 -4.97 117.98 117.42 3cde s PHE 54 Ca 0.02 0.06 -0.24 0.00 -1.04 0.00 0.00 56.93 55.73 3cde s PHE 54 Cb -0.21 0.63 -0.10 0.00 -1.21 0.00 0.00 43.02 42.13 3cde s PHE 54 CO 0.05 -1.01 0.90 0.34 -1.34 0.00 0.00 175.22 174.16 3cde s ASP 55 N -2.82 7.25 -0.13 1.98 2.15 -1.26 -1.00 116.67 122.84 3cde s ASP 55 Ca 0.06 1.73 0.01 0.00 0.43 0.00 0.00 52.55 54.78 3cde s ASP 55 Cb -0.03 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.04 3cde s ASP 55 CO -0.04 -0.06 -0.15 -0.13 -0.17 0.00 0.00 175.17 174.61 3cde s ARG 56 N -2.10 3.29 0.02 4.34 3.00 -0.61 -4.94 118.95 121.95 3cde s ARG 56 Ca 0.49 -0.73 0.06 0.00 0.00 0.00 0.00 55.73 55.54 3cde s ARG 56 Cb -0.18 -2.57 -0.03 0.00 0.00 0.00 0.00 34.95 32.17 3cde s ARG 56 CO 0.23 0.16 -0.14 -0.51 0.00 0.00 0.00 175.30 175.04 3cde s LEU 57 N 0.45 2.82 -0.03 2.53 1.43 -1.26 -2.82 118.68 121.80 3cde s LEU 57 Ca -0.11 -0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3cde s LEU 57 Cb -0.16 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.45 3cde s LEU 57 CO 0.05 0.27 0.01 -1.58 0.23 0.00 0.00 176.35 175.33 3cde s GLN 58 N -1.40 0.19 -0.18 1.70 0.74 -1.26 -4.04 119.66 115.41 3cde s GLN 58 Ca 0.15 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.71 3cde s GLN 58 Cb -0.11 -0.45 0.04 0.00 1.10 0.00 0.00 33.01 33.59 3cde s GLN 58 CO 0.06 -0.17 -0.11 0.08 -0.55 0.00 0.00 175.29 174.60 3cde s VAL 59 N 1.19 1.53 -0.18 1.34 1.01 -0.01 -5.03 120.40 120.26 3cde s VAL 59 Ca -0.07 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 3cde s VAL 59 Cb -0.13 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3cde s VAL 59 CO -0.02 0.25 -0.10 -0.76 0.00 0.00 0.00 175.10 174.47 3cde s LEU 60 N 1.46 2.74 0.00 3.92 1.43 -1.26 -4.31 118.68 122.66 3cde s LEU 60 Ca 0.01 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 3cde s LEU 60 Cb -0.15 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3cde s LEU 60 CO -0.09 0.06 0.03 -0.90 0.23 0.00 0.00 176.35 175.68 3cde n ASP 61 N 4.26 1.19 -0.19 2.29 5.75 -1.26 -4.99 116.55 123.62 3cde n ASP 61 Ca -0.18 -1.14 -0.10 0.00 -0.01 0.00 0.00 54.79 53.36 3cde n ASP 61 Cb 0.51 -0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.62 3cde n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3cde h ASP 62 N 0.05 1.04 -0.51 -1.12 3.32 -1.99 -2.46 116.42 114.75 3cde h ASP 62 Ca -0.03 -0.34 0.07 0.00 0.02 0.00 0.00 57.03 56.75 3cde h ASP 62 Cb 0.09 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.30 3cde h ASP 62 CO 0.04 1.14 0.18 0.45 -1.72 0.00 0.00 179.24 179.33 3cde h HIS 63 N 0.92 0.31 -0.03 4.55 3.86 -1.97 0.30 115.15 123.09 3cde h HIS 63 Ca 0.14 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.41 3cde h HIS 63 Cb 0.67 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 3cde h HIS 63 CO 0.05 0.10 -0.20 -0.92 0.86 0.00 0.00 177.93 177.81 3cde h TYR 64 N 0.35 -0.53 -0.40 2.45 3.20 -1.81 -1.39 116.97 118.84 3cde h TYR 64 Ca 0.24 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.04 3cde h TYR 64 Cb 0.27 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3cde h TYR 64 CO -0.17 -0.28 -0.12 0.00 -1.64 0.00 0.00 178.16 175.95 3cde h ARG 65 N -0.31 0.72 -0.25 1.82 3.08 -0.97 -1.50 114.38 116.97 3cde h ARG 65 Ca 0.07 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 3cde h ARG 65 Cb 0.40 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3cde h ARG 65 CO -0.21 0.81 0.14 -0.44 -1.07 0.00 0.00 179.97 179.21 3cde h ASP 66 N 0.65 0.30 -0.59 7.04 3.32 -0.20 -0.67 116.42 126.27 3cde h ASP 66 Ca 0.11 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 3cde h ASP 66 Cb 0.58 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3cde h ASP 66 CO 0.04 0.27 0.02 0.58 -1.72 0.00 0.00 179.24 178.43 3cde h VAL 67 N 0.30 1.26 -0.67 -1.35 2.07 -1.12 -2.44 116.25 114.30 3cde h VAL 67 Ca 0.09 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.51 3cde h VAL 67 Cb 0.03 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3cde h VAL 67 CO -0.02 0.40 0.43 0.25 0.02 0.00 0.00 177.57 178.66 3cde h LEU 68 N 0.92 0.74 -0.86 2.57 5.85 -1.03 -0.91 115.31 122.58 3cde h LEU 68 Ca 0.17 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3cde h LEU 68 Cb 0.53 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3cde h LEU 68 CO 0.03 0.53 0.56 0.50 -0.34 0.00 0.00 178.44 179.71 3cde h LYS 69 N 0.87 1.08 -0.55 1.25 3.64 -0.89 -0.42 116.57 121.55 3cde h LYS 69 Ca 0.25 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3cde h LYS 69 Cb -0.06 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.49 3cde h LYS 69 CO -0.07 0.71 0.24 0.93 -2.27 0.00 0.00 179.45 178.99 3cde h GLU 70 N 1.11 0.81 -0.53 1.90 5.08 -0.95 -2.17 114.58 119.83 3cde h GLU 70 Ca 0.34 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3cde h GLU 70 Cb -0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3cde h GLU 70 CO -0.10 0.69 0.23 0.52 -1.00 0.00 0.00 179.01 179.34 3cde h MET 71 N 0.74 0.77 -0.55 2.33 2.86 -0.69 -2.78 114.93 117.61 3cde h MET 71 Ca 0.19 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 3cde h MET 71 Cb 0.17 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 3cde h MET 71 CO -0.02 0.66 0.13 0.87 1.06 0.00 0.00 176.91 179.62 3cde h LYS 72 N 0.71 0.84 -0.33 1.72 1.57 -0.98 -0.68 116.57 119.42 3cde h LYS 72 Ca 0.18 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3cde h LYS 72 Cb 0.17 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3cde h LYS 72 CO -0.02 0.76 -0.08 0.00 -0.57 0.00 0.00 179.45 179.54 3cde h ALA 73 N 1.33 1.25 -0.08 3.86 0.00 -1.22 -1.30 119.26 123.10 3cde h ALA 73 Ca 0.18 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3cde h ALA 73 Cb 0.30 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3cde h ALA 73 CO -0.00 0.49 -0.65 0.87 0.00 0.00 0.00 179.25 179.97 3cde h LYS 74 N 0.51 0.58 -0.58 0.00 1.57 -1.22 -3.22 116.57 114.21 3cde h LYS 74 Ca 0.10 -0.52 0.09 0.00 -1.87 0.00 0.00 60.65 58.46 3cde h LYS 74 Cb 0.45 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3cde h LYS 74 CO 0.02 1.14 0.39 0.00 -0.57 0.00 0.00 179.45 180.44 3cde h ALA 75 N 0.45 2.02 0.00 3.86 0.00 -0.88 -1.70 119.26 123.00 3cde h ALA 75 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3cde h ALA 75 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3cde h ALA 75 CO 0.13 -0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 3cde n SER 76 N -4.47 0.44 -0.03 0.00 3.41 -0.51 -1.55 113.62 110.91 3cde n SER 76 Ca 0.09 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 3cde n SER 76 Cb 0.36 -0.71 0.41 0.00 -0.26 0.00 0.00 64.21 64.01 3cde n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3cde n THR 77 N -1.99 0.00 -3.04 6.66 -2.24 -0.64 -4.67 114.28 108.36 3cde n THR 77 Ca 0.02 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.39 3cde n THR 77 Cb 0.20 -0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 3cde n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3cde s VAL 78 N -2.92 4.97 -0.16 2.28 1.01 -0.60 -4.97 120.40 120.03 3cde s VAL 78 Ca 0.15 1.47 -0.01 0.00 0.00 0.00 0.00 61.98 63.59 3cde s VAL 78 Cb 0.18 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3cde s VAL 78 CO 0.62 0.29 -0.11 -0.75 0.00 0.00 0.00 175.10 175.15 3cde s LYS 79 N 0.55 3.38 0.05 2.72 2.20 -1.26 -0.05 119.74 127.33 3cde s LYS 79 Ca 0.37 -0.67 0.07 0.00 -0.36 0.00 0.00 55.97 55.39 3cde s LYS 79 Cb -0.18 -2.74 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 3cde s LYS 79 CO 0.19 0.09 -0.19 0.00 -0.36 0.00 0.00 175.35 175.09 3cde s ALA 80 N 0.67 1.58 0.09 3.13 0.00 -0.48 -4.95 121.76 121.80 3cde s ALA 80 Ca -0.06 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3cde s ALA 80 Cb -0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3cde s ALA 80 CO 0.02 0.33 0.14 -1.59 0.00 0.00 0.00 175.76 174.66 3cde s LYS 81 N -1.31 3.08 0.07 0.00 -2.85 -1.26 -4.46 119.74 113.02 3cde s LYS 81 Ca 0.05 -0.63 -0.30 0.00 -1.00 0.00 0.00 55.97 54.09 3cde s LYS 81 Cb -0.09 -2.83 -0.05 0.00 -2.06 0.00 0.00 37.83 32.80 3cde s LYS 81 CO 0.02 0.57 1.04 -1.17 0.10 0.00 0.00 175.35 175.91 3cde s LEU 82 N -2.54 4.43 0.26 2.77 2.96 -1.26 -4.49 118.68 120.80 3cde s LEU 82 Ca 0.31 1.85 -0.19 0.00 -0.22 0.00 0.00 54.13 55.88 3cde s LEU 82 Cb -0.12 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 3cde s LEU 82 CO 0.24 -0.25 0.74 -0.76 -1.32 0.00 0.00 176.35 175.01 3cde s LEU 83 N 0.51 4.27 0.88 -0.68 1.02 -0.47 -5.05 118.68 119.14 3cde s LEU 83 Ca 0.52 1.42 -0.11 0.00 0.02 0.00 0.00 54.13 55.97 3cde s LEU 83 Cb -0.25 -3.75 0.12 0.00 0.02 0.00 0.00 46.19 42.33 3cde s LEU 83 CO 0.30 -0.04 1.09 -0.94 0.02 0.00 0.00 176.35 176.78 3cde s SER 84 N -1.80 3.65 0.16 2.29 1.04 -1.26 -4.63 113.70 113.14 3cde s SER 84 Ca 0.46 1.54 -0.17 0.00 0.48 0.00 0.00 55.95 58.26 3cde s SER 84 Cb -0.15 -2.22 0.07 0.00 0.10 0.00 0.00 66.02 63.82 3cde s SER 84 CO 0.20 -2.54 1.70 0.58 0.98 0.00 0.00 173.24 174.16 3cde h VAL 85 N -1.48 0.71 -0.54 5.02 2.07 -1.98 -1.69 116.25 118.36 3cde h VAL 85 Ca -0.48 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.03 3cde h VAL 85 Cb 1.28 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3cde h VAL 85 CO 0.54 0.01 0.35 -0.33 0.02 0.00 0.00 177.57 178.16 3cde h GLU 86 N 0.07 0.69 -0.46 1.57 3.07 -1.98 0.13 114.58 117.66 3cde h GLU 86 Ca 0.17 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.00 3cde h GLU 86 Cb 0.24 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 3cde h GLU 86 CO -0.31 0.45 0.29 0.93 -1.40 0.00 0.00 179.01 178.97 3cde h GLU 87 N 0.71 0.56 -0.54 2.33 5.08 -1.86 -2.04 114.58 118.81 3cde h GLU 87 Ca 0.21 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3cde h GLU 87 Cb -0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3cde h GLU 87 CO -0.06 0.37 0.11 0.00 -1.00 0.00 0.00 179.01 178.43 3cde h ALA 88 N 1.19 0.72 -0.79 3.43 0.00 -0.87 -2.93 119.26 120.01 3cde h ALA 88 Ca 0.18 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.95 3cde h ALA 88 Cb -0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.49 3cde h ALA 88 CO -0.06 0.44 0.43 0.00 0.00 0.00 0.00 179.25 180.06 3cde n LYS 90 N -4.79 0.16 -0.02 0.00 4.76 -0.79 -2.01 118.16 115.48 3cde n LYS 90 Ca 0.13 0.41 0.13 0.00 -2.87 0.00 0.00 58.31 56.12 3cde n LYS 90 Cb 0.28 -1.82 0.49 0.00 -1.84 0.00 0.00 35.03 32.14 3cde n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3cde n LEU 91 N -2.13 1.55 -4.70 -0.35 4.77 -0.71 -4.85 117.00 110.59 3cde n LEU 91 Ca 0.02 -0.55 -0.40 0.00 -0.03 0.00 0.00 56.01 55.04 3cde n LEU 91 Cb 0.21 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3cde n LEU 91 CO 0.18 0.28 0.47 -0.89 -1.33 0.00 0.00 177.39 176.09 3cde s THR 92 N -1.95 4.99 0.54 -5.08 2.01 -0.85 0.27 115.64 115.58 3cde s THR 92 Ca 0.37 1.49 -0.21 0.00 0.31 0.00 0.00 61.69 63.65 3cde s THR 92 Cb 0.20 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 3cde s THR 92 CO 0.32 0.17 1.31 -2.84 -0.69 0.00 0.00 174.62 172.89 3cde s PRO 93 N 1.30 3.17 0.54 4.92 0.02 -1.26 -4.75 135.00 138.95 3cde s PRO 93 Ca 0.37 2.11 0.26 0.00 0.02 0.00 0.00 61.00 63.77 3cde s PRO 93 Cb -0.17 -2.22 1.54 0.00 0.02 0.00 0.00 34.50 33.67 3cde s PRO 93 CO 0.16 -1.13 2.14 -1.35 -0.33 0.00 0.00 177.00 176.50 3cde h PRO 94 N 1.43 0.00 -0.34 5.54 0.11 -1.96 -2.59 132.00 134.18 3cde h PRO 94 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3cde h PRO 94 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3cde h PRO 94 CO 0.57 0.07 0.00 -2.39 -0.21 0.00 0.00 178.00 176.04 3cde n HIS 95 N -3.86 0.43 -1.66 0.65 1.44 -1.26 -4.23 115.22 106.73 3cde n HIS 95 Ca -0.02 -0.22 -0.38 0.00 -2.01 0.00 0.00 57.72 55.09 3cde n HIS 95 Cb 0.17 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.32 3cde n HIS 95 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3cde n SER 96 N 1.39 1.46 -4.74 4.39 2.88 -0.98 -4.89 113.62 113.14 3cde n SER 96 Ca 0.19 0.88 -0.42 0.00 -1.33 0.00 0.00 58.87 58.19 3cde n SER 96 Cb 0.59 -1.45 -0.02 0.00 -0.75 0.00 0.00 64.21 62.57 3cde n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cde s ALA 97 N -1.41 3.80 0.79 -1.46 0.00 -1.26 -4.15 121.76 118.06 3cde s ALA 97 Ca 0.74 1.54 -0.13 0.00 0.00 0.00 0.00 51.96 54.11 3cde s ALA 97 Cb -0.43 -3.65 0.07 0.00 0.00 0.00 0.00 23.12 19.11 3cde s ALA 97 CO 0.48 -0.93 1.16 -1.59 0.00 0.00 0.00 175.76 174.88 3cde s LYS 98 N 0.18 1.88 0.65 0.00 -2.85 -1.26 -4.56 119.74 113.78 3cde s LYS 98 Ca 0.67 1.54 -0.15 0.00 -1.00 0.00 0.00 55.97 57.04 3cde s LYS 98 Cb -0.48 -1.82 -0.01 0.00 -2.06 0.00 0.00 37.83 33.47 3cde s LYS 98 CO 0.41 -1.99 1.09 0.45 0.10 0.00 0.00 175.35 175.41 3cde s SER 99 N -2.54 5.26 0.00 0.03 0.15 0.41 -4.61 113.70 112.39 3cde s SER 99 Ca 0.69 1.91 0.28 0.00 0.70 0.00 0.00 55.95 59.53 3cde s SER 99 Cb -0.24 -2.54 1.36 0.00 -1.71 0.00 0.00 66.02 62.89 3cde s SER 99 CO 0.51 -1.53 1.94 0.29 1.20 0.00 0.00 173.24 175.65 3cde n LYS 100 N -2.44 0.31 -1.15 5.44 5.02 -1.26 -3.99 118.16 120.09 3cde n LYS 100 Ca 0.10 0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.24 3cde n LYS 100 Cb 0.52 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.19 3cde n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3cde n PHE 101 N -1.33 2.22 -0.64 2.13 3.72 -1.26 -4.94 117.46 117.37 3cde n PHE 101 Ca 0.12 -1.99 0.00 0.00 -0.05 0.00 0.00 57.45 55.53 3cde n PHE 101 Cb 0.24 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 3cde n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cde n GLY 102 N -1.06 0.61 3.22 1.37 0.00 -1.26 -5.02 105.19 103.06 3cde n GLY 102 Ca 0.48 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 3cde n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cde s TYR 103 N -2.00 0.05 0.36 1.61 -0.85 -1.26 -5.00 117.35 110.25 3cde s TYR 103 Ca 0.00 -0.38 0.00 0.00 -0.52 0.00 0.00 57.07 56.17 3cde s TYR 103 Cb 0.00 0.01 -0.00 0.00 0.38 0.00 0.00 41.96 42.35 3cde s TYR 103 CO 0.00 -0.54 0.00 0.41 -1.52 0.00 0.00 175.55 173.90 3cde n GLY 104 N 0.15 3.75 0.34 5.49 0.00 -1.26 -0.45 105.19 113.21 3cde n GLY 104 Ca -0.16 -2.32 0.03 0.00 0.00 0.00 0.00 46.02 43.57 3cde n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cde h ALA 105 N 1.19 1.59 0.00 4.61 0.00 -1.83 -2.13 119.26 122.68 3cde h ALA 105 Ca -0.30 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 3cde h ALA 105 Cb 0.90 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3cde h ALA 105 CO 0.49 0.36 -0.44 0.87 0.00 0.00 0.00 179.25 180.53 3cde h LYS 106 N 0.83 0.00 -0.17 0.00 1.57 -1.87 0.22 116.57 117.15 3cde h LYS 106 Ca 0.25 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.87 3cde h LYS 106 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3cde h LYS 106 CO -0.06 0.44 -0.56 -0.44 -0.57 0.00 0.00 179.45 178.25 3cde h ASP 107 N 0.00 0.59 0.13 0.86 3.32 -1.81 -1.89 116.42 117.62 3cde h ASP 107 Ca -0.00 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3cde h ASP 107 Cb 0.97 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3cde h ASP 107 CO 0.06 1.03 -0.06 0.58 -1.72 0.00 0.00 179.24 179.12 3cde h VAL 108 N 0.40 0.97 -0.01 -1.35 2.07 -1.09 0.31 116.25 117.55 3cde h VAL 108 Ca 0.00 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.13 3cde h VAL 108 Cb 1.11 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3cde h VAL 108 CO 0.10 0.10 -0.05 0.03 0.02 0.00 0.00 177.57 177.77 3cde h ARG 109 N -0.36 -0.09 -0.30 1.57 3.08 -0.93 -1.13 114.38 116.21 3cde h ARG 109 Ca -0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3cde h ARG 109 Cb 0.29 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3cde h ARG 109 CO 0.03 -0.06 0.00 0.27 -1.07 0.00 0.00 179.97 179.14 3cde n ASN 110 N -5.17 1.26 -2.96 7.04 2.04 -0.72 -4.75 115.26 112.01 3cde n ASN 110 Ca -0.06 -2.04 -0.18 0.00 -0.44 0.00 0.00 54.58 51.86 3cde n ASN 110 Cb 0.10 -0.20 0.06 0.00 -2.53 0.00 0.00 39.78 37.22 3cde n ASN 110 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3cde n LEU 111 N 0.10 -3.18 -4.73 -4.53 4.77 -0.43 -4.97 117.00 104.03 3cde n LEU 111 Ca 0.07 -0.44 -0.35 0.00 -0.03 0.00 0.00 56.01 55.26 3cde n LEU 111 Cb 0.22 -2.53 0.07 0.00 -2.33 0.00 0.00 43.42 38.86 3cde n LEU 111 CO 0.05 0.50 0.84 -0.94 -1.33 0.00 0.00 177.39 176.51 3cde s SER 112 N -3.36 4.50 0.45 -1.43 1.04 -0.00 -4.80 113.70 110.09 3cde s SER 112 Ca 0.41 2.45 0.23 0.00 0.48 0.00 0.00 55.95 59.53 3cde s SER 112 Cb -0.18 -2.60 0.99 0.00 0.10 0.00 0.00 66.02 64.33 3cde s SER 112 CO 0.58 -2.06 1.87 0.77 0.98 0.00 0.00 173.24 175.37 3cde h SER 113 N 0.19 0.00 0.32 7.02 4.64 -1.93 -1.56 113.55 122.23 3cde h SER 113 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 3cde h SER 113 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3cde h SER 113 CO 0.52 0.23 -0.16 0.50 -0.87 0.00 0.00 176.83 177.05 3cde h LYS 114 N 0.00 -0.43 0.17 4.77 3.64 -1.95 -0.20 116.57 122.56 3cde h LYS 114 Ca -0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3cde h LYS 114 Cb 0.68 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3cde h LYS 114 CO 0.03 -0.29 -0.08 0.00 -2.27 0.00 0.00 179.45 176.85 3cde h ALA 115 N 0.24 -0.22 -0.87 5.00 0.00 -1.81 -2.25 119.26 119.34 3cde h ALA 115 Ca -0.04 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3cde h ALA 115 Cb 0.35 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3cde h ALA 115 CO 0.06 -0.57 0.57 0.28 0.00 0.00 0.00 179.25 179.60 3cde h VAL 116 N -0.33 1.20 -0.33 0.00 2.07 -1.32 -0.68 116.25 116.86 3cde h VAL 116 Ca -0.02 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 66.97 3cde h VAL 116 Cb 0.26 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3cde h VAL 116 CO 0.04 0.21 -0.34 0.78 0.02 0.00 0.00 177.57 178.28 3cde h ASN 117 N 1.16 0.77 -0.27 0.57 -0.26 -0.99 -1.93 115.58 114.64 3cde h ASN 117 Ca 0.33 -0.32 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 3cde h ASN 117 Cb -0.10 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 36.94 3cde h ASN 117 CO -0.08 1.04 0.03 -0.74 -1.06 0.00 0.00 177.43 176.62 3cde h HIS 118 N 0.62 0.48 -0.71 1.19 2.76 -1.01 -2.58 115.15 115.90 3cde h HIS 118 Ca 0.06 -0.07 0.13 0.00 -2.20 0.00 0.00 60.37 58.29 3cde h HIS 118 Cb 0.87 -0.13 -0.09 0.00 1.55 0.00 0.00 27.41 29.61 3cde h HIS 118 CO 0.04 0.57 0.26 0.82 -1.30 0.00 0.00 177.93 178.32 3cde h ILE 119 N 0.25 0.67 -0.96 6.26 2.04 -1.00 0.07 117.51 124.84 3cde h ILE 119 Ca 0.08 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3cde h ILE 119 Cb 0.35 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 3cde h ILE 119 CO 0.01 0.07 0.60 0.45 0.00 0.00 0.00 178.15 179.28 3cde h HIS 120 N 0.41 1.24 -0.16 1.37 3.86 -1.29 -1.27 115.15 119.31 3cde h HIS 120 Ca 0.38 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.49 3cde h HIS 120 Cb 0.56 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 3cde h HIS 120 CO -0.18 0.81 -0.38 0.66 0.86 0.00 0.00 177.93 179.70 3cde h SER 121 N 1.31 0.36 -0.23 2.45 4.64 -0.73 -1.44 113.55 119.91 3cde h SER 121 Ca 0.35 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 3cde h SER 121 Cb -0.09 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 3cde h SER 121 CO -0.07 0.71 0.01 0.58 -0.87 0.00 0.00 176.83 177.19 3cde h VAL 122 N 0.29 1.25 -0.13 0.95 2.07 -0.60 -1.92 116.25 118.16 3cde h VAL 122 Ca 0.03 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.71 3cde h VAL 122 Cb 0.80 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3cde h VAL 122 CO 0.06 0.27 0.03 -0.25 0.02 0.00 0.00 177.57 177.70 3cde h TRP 123 N 0.19 0.04 -0.71 1.57 2.91 -1.10 -0.66 115.95 118.19 3cde h TRP 123 Ca 0.07 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.15 3cde h TRP 123 Cb 0.38 -0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.98 3cde h TRP 123 CO 0.03 0.02 0.41 -0.22 -1.03 0.00 0.00 178.44 177.65 3cde h LYS 124 N 0.08 0.75 -0.80 2.65 3.64 -1.26 -1.00 116.57 120.63 3cde h LYS 124 Ca 0.06 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3cde h LYS 124 Cb 0.05 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 3cde h LYS 124 CO -0.07 0.50 0.37 0.22 -2.27 0.00 0.00 179.45 178.19 3cde h ASP 125 N 0.77 1.06 -0.52 4.20 3.58 -1.00 -1.69 116.42 122.82 3cde h ASP 125 Ca 0.31 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3cde h ASP 125 Cb 0.15 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 3cde h ASP 125 CO -0.16 0.90 0.33 -0.07 -2.88 0.00 0.00 179.24 177.36 3cde h LEU 126 N 1.15 0.62 -1.15 2.28 3.38 -0.16 0.61 115.31 122.04 3cde h LEU 126 Ca 0.27 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3cde h LEU 126 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3cde h LEU 126 CO -0.03 0.47 0.00 -0.07 0.09 0.00 0.00 178.44 178.90 3cde h LEU 127 N 0.71 0.56 0.00 1.67 3.38 -0.91 -3.24 115.31 117.47 3cde h LEU 127 Ca 0.19 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3cde h LEU 127 Cb -0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3cde h LEU 127 CO -0.04 0.63 -1.19 -0.62 0.09 0.00 0.00 178.44 177.31 3cde n GLU 128 N -4.26 0.61 -3.93 1.13 1.02 -0.66 -4.83 120.64 109.71 3cde n GLU 128 Ca 0.02 0.14 -0.27 0.00 -0.02 0.00 0.00 57.16 57.03 3cde n GLU 128 Cb 0.26 -1.81 -0.17 0.00 -0.02 0.00 0.00 31.44 29.70 3cde n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3cde s ASP 129 N -5.46 2.13 -0.09 1.62 -1.08 0.17 -5.00 116.67 108.97 3cde s ASP 129 Ca -0.02 -0.29 0.13 0.00 -0.52 0.00 0.00 52.55 51.85 3cde s ASP 129 Cb 0.09 -0.82 0.33 0.00 -1.46 0.00 0.00 42.92 41.06 3cde s ASP 129 CO 0.80 -0.11 1.25 0.35 0.52 0.00 0.00 175.17 177.98 3cde n THR 130 N 4.89 1.63 0.00 1.71 -2.24 -1.26 -4.55 114.28 114.46 3cde n THR 130 Ca -0.13 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.08 3cde n THR 130 Cb 0.50 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3cde n THR 130 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3cde n VAL 131 N -0.42 0.00 -2.21 2.28 0.24 -1.26 -4.56 118.33 112.40 3cde n VAL 131 Ca 0.14 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.01 3cde n VAL 131 Cb 0.60 -0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 32.42 3cde n VAL 131 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3cde s THR 132 N -1.82 3.88 0.22 3.34 2.01 -1.26 -4.72 115.64 117.28 3cde s THR 132 Ca 0.00 1.02 -0.32 0.00 0.31 0.00 0.00 61.69 62.70 3cde s THR 132 Cb 0.00 -3.78 -0.13 0.00 0.01 0.00 0.00 72.50 68.59 3cde s THR 132 CO 0.00 -0.23 1.47 -2.65 -0.69 0.00 0.00 174.62 172.52 3cde n PRO 133 N 7.23 2.10 -3.20 4.92 -0.02 -1.26 -4.71 135.00 140.06 3cde n PRO 133 Ca 0.17 0.75 -0.39 0.00 -2.02 0.00 0.00 63.50 62.01 3cde n PRO 133 Cb 0.45 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 3cde n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3cde s ILE 134 N 0.23 4.92 0.53 4.25 1.01 0.54 -4.96 121.20 127.72 3cde s ILE 134 Ca 0.71 1.24 -0.22 0.00 0.00 0.00 0.00 60.65 62.39 3cde s ILE 134 Cb -0.65 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 37.83 3cde s ILE 134 CO 0.46 0.41 1.29 -0.62 0.00 0.00 0.00 174.94 176.48 3cde s ASP 135 N -0.13 5.51 0.06 3.58 2.15 -1.26 -4.49 116.67 122.08 3cde s ASP 135 Ca 0.31 2.59 0.02 0.00 0.43 0.00 0.00 52.55 55.91 3cde s ASP 135 Cb -0.18 -2.62 -0.03 0.00 -0.30 0.00 0.00 42.92 39.79 3cde s ASP 135 CO 0.17 -1.39 -0.08 0.42 -0.17 0.00 0.00 175.17 174.12 3cde s THR 136 N -1.40 0.63 -0.16 1.71 -4.23 -1.20 -4.32 115.64 106.67 3cde s THR 136 Ca 0.70 -1.32 -0.10 0.00 -1.18 0.00 0.00 61.69 59.79 3cde s THR 136 Cb -0.36 -0.92 -0.05 0.00 1.34 0.00 0.00 72.50 72.51 3cde s THR 136 CO 0.42 -0.50 0.16 -0.89 -0.54 0.00 0.00 174.62 173.28 3cde s THR 137 N -1.95 5.42 -0.17 3.99 2.01 0.20 -0.97 115.64 124.18 3cde s THR 137 Ca -0.04 0.27 -0.06 0.00 0.31 0.00 0.00 61.69 62.17 3cde s THR 137 Cb -0.06 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 3cde s THR 137 CO -0.01 0.50 0.02 -0.51 -0.69 0.00 0.00 174.62 173.94 3cde s ILE 138 N -0.19 4.41 0.13 1.82 2.07 -0.51 -1.70 121.20 127.23 3cde s ILE 138 Ca 0.12 -0.17 0.03 0.00 -1.41 0.00 0.00 60.65 59.22 3cde s ILE 138 Cb -0.12 -2.96 -0.04 0.00 0.13 0.00 0.00 42.46 39.47 3cde s ILE 138 CO 0.01 0.48 -0.07 -0.04 -1.91 0.00 0.00 174.94 173.41 3cde s MET 139 N 0.29 0.99 -0.16 3.50 -1.94 -0.13 -4.43 119.30 117.42 3cde s MET 139 Ca 0.01 -1.43 -0.13 0.00 -1.71 0.00 0.00 55.69 52.43 3cde s MET 139 Cb -0.13 -0.44 -0.05 0.00 2.01 0.00 0.00 34.83 36.23 3cde s MET 139 CO 0.01 0.01 0.28 0.00 -0.01 0.00 0.00 175.02 175.31 3cde s ALA 140 N -3.47 3.61 0.38 3.03 0.00 -1.26 -0.86 121.76 123.19 3cde s ALA 140 Ca 0.16 -0.48 -0.26 0.00 0.00 0.00 0.00 51.96 51.38 3cde s ALA 140 Cb 0.04 -2.36 -0.09 0.00 0.00 0.00 0.00 23.12 20.71 3cde s ALA 140 CO -0.01 0.11 1.20 0.15 0.00 0.00 0.00 175.76 177.21 3cde s LYS 141 N 0.42 4.12 -0.57 0.00 1.02 0.55 -4.68 119.74 120.61 3cde s LYS 141 Ca 0.16 1.92 -0.13 0.00 0.02 0.00 0.00 55.97 57.94 3cde s LYS 141 Cb -0.13 -2.77 0.14 0.00 -0.52 0.00 0.00 37.83 34.56 3cde s LYS 141 CO 0.03 -0.29 0.49 -0.80 -0.92 0.00 0.00 175.35 173.87 3cde s ASN 142 N -0.99 6.10 0.17 2.83 0.02 -1.26 -4.30 114.94 117.50 3cde s ASN 142 Ca 0.55 -2.01 0.11 0.00 -1.02 0.00 0.00 52.86 50.49 3cde s ASN 142 Cb -0.33 -2.14 -0.04 0.00 0.02 0.00 0.00 41.25 38.76 3cde s ASN 142 CO 0.42 -0.75 -0.25 -1.61 0.02 0.00 0.00 177.10 174.93 3cde s GLU 143 N 1.24 1.45 -0.11 -0.60 2.02 -1.26 -4.86 118.70 116.58 3cde s GLU 143 Ca 0.07 -1.45 -0.03 0.00 0.02 0.00 0.00 54.97 53.58 3cde s GLU 143 Cb -0.25 -1.82 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 3cde s GLU 143 CO -0.00 0.41 0.02 0.08 0.02 0.00 0.00 175.26 175.78 3cde s VAL 144 N -1.47 4.42 0.26 2.63 1.01 -1.26 -0.68 120.40 125.31 3cde s VAL 144 Ca 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 3cde s VAL 144 Cb -0.09 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 3cde s VAL 144 CO 0.08 0.58 0.30 -0.36 0.00 0.00 0.00 175.10 175.70 3cde s PHE 145 N -0.61 1.08 -0.12 5.22 0.08 -0.40 -4.74 117.98 118.50 3cde s PHE 145 Ca 0.10 -1.28 -0.05 0.00 0.12 0.00 0.00 56.93 55.83 3cde s PHE 145 Cb -0.12 -0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.97 3cde s PHE 145 CO 0.02 -0.86 0.05 0.00 -0.10 0.00 0.00 175.22 174.33 3cde n VAL 147 N 2.49 2.15 0.00 0.00 0.24 0.76 -5.00 118.33 118.98 3cde n VAL 147 Ca -0.18 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3cde n VAL 147 Cb 0.54 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.42 3cde n VAL 147 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3cde n GLN 148 N 0.43 0.87 -4.20 7.34 7.27 -1.26 -5.05 117.38 122.78 3cde n GLN 148 Ca 0.06 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.78 3cde n GLN 148 Cb 0.37 -0.81 -0.08 0.00 2.41 0.00 0.00 30.24 32.13 3cde n GLN 148 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3cde s ARG 154 N -1.61 3.11 0.04 3.69 0.52 -1.26 -5.29 118.95 118.15 3cde s ARG 154 Ca 0.00 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 54.56 3cde s ARG 154 Cb 0.00 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 3cde s ARG 154 CO 0.00 0.71 0.96 0.15 0.02 0.00 0.00 175.30 177.14 3cde s LYS 155 N -1.10 4.61 0.84 3.54 1.02 -1.26 -5.06 119.74 122.32 3cde s LYS 155 Ca 0.16 1.41 -0.10 0.00 0.02 0.00 0.00 55.97 57.45 3cde s LYS 155 Cb -0.12 -3.43 0.10 0.00 -0.52 0.00 0.00 37.83 33.86 3cde s LYS 155 CO 0.05 0.06 1.11 -1.25 -0.92 0.00 0.00 175.35 174.40 3cde s PRO 156 N 0.61 1.71 0.30 -1.68 0.04 -1.26 -4.82 135.00 129.89 3cde s PRO 156 Ca 0.49 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 3cde s PRO 156 Cb -0.22 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 3cde s PRO 156 CO 0.28 -2.08 1.37 0.00 0.04 0.00 0.00 177.00 176.61 3cde n ALA 157 N -3.83 1.35 -1.71 8.56 0.00 -1.26 -4.96 120.51 118.66 3cde n ALA 157 Ca 0.10 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 3cde n ALA 157 Cb 0.53 -2.28 -0.00 0.00 0.00 0.00 0.00 19.45 17.69 3cde n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3cde s ARG 158 N -1.16 3.44 0.05 0.00 0.52 -1.26 -4.68 118.95 115.86 3cde s ARG 158 Ca 0.61 1.28 -0.04 0.00 -0.52 0.00 0.00 55.73 57.07 3cde s ARG 158 Cb -0.59 -2.05 -0.05 0.00 0.52 0.00 0.00 34.95 32.78 3cde s ARG 158 CO 0.56 -0.72 0.27 -0.51 0.02 0.00 0.00 175.30 174.92 3cde s LEU 159 N -4.18 4.34 -0.08 2.53 1.43 -1.26 -0.33 118.68 121.13 3cde s LEU 159 Ca 0.65 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 54.24 3cde s LEU 159 Cb -0.17 -2.90 0.01 0.00 0.03 0.00 0.00 46.19 43.15 3cde s LEU 159 CO 0.32 0.18 -0.18 -0.51 0.23 0.00 0.00 176.35 176.39 3cde s ILE 160 N -1.45 1.57 -0.15 -0.59 1.10 -0.04 -4.86 121.20 116.79 3cde s ILE 160 Ca 0.33 -0.74 0.01 0.00 -0.51 0.00 0.00 60.65 59.74 3cde s ILE 160 Cb -0.13 -1.38 0.02 0.00 0.15 0.00 0.00 42.46 41.12 3cde s ILE 160 CO 0.22 0.45 -0.17 -0.69 -2.11 0.00 0.00 174.94 172.64 3cde s VAL 161 N 0.47 1.72 -0.04 4.00 1.01 -1.26 -0.96 120.40 125.34 3cde s VAL 161 Ca -0.16 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 3cde s VAL 161 Cb -0.16 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3cde s VAL 161 CO 0.06 0.48 0.20 0.72 0.00 0.00 0.00 175.10 176.56 3cde s PHE 162 N 1.25 -0.12 0.79 5.22 -0.71 -0.69 -0.52 117.98 123.21 3cde s PHE 162 Ca 0.01 0.26 -0.08 0.00 -1.04 0.00 0.00 56.93 56.08 3cde s PHE 162 Cb -0.14 0.03 0.12 0.00 -1.21 0.00 0.00 43.02 41.83 3cde s PHE 162 CO -0.08 -0.22 1.11 -1.25 -1.34 0.00 0.00 175.22 173.44 3cde s PRO 163 N -0.64 1.60 0.67 1.99 0.04 -1.26 -0.62 135.00 136.77 3cde s PRO 163 Ca -0.07 -0.49 -0.17 0.00 0.04 0.00 0.00 61.00 60.30 3cde s PRO 163 Cb -0.04 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3cde s PRO 163 CO 0.01 -1.65 1.26 0.34 0.04 0.00 0.00 177.00 177.00 3cde s ASP 164 N -4.68 4.50 0.33 6.66 2.15 -1.26 -4.72 116.67 119.65 3cde s ASP 164 Ca 0.66 2.53 0.12 0.00 0.43 0.00 0.00 52.55 56.29 3cde s ASP 164 Cb -0.07 -2.61 1.00 0.00 -0.30 0.00 0.00 42.92 40.94 3cde s ASP 164 CO 0.47 -2.07 1.67 0.25 -0.17 0.00 0.00 175.17 175.33 3cde h LEU 165 N 0.31 0.48 -0.75 -1.34 5.85 -1.81 -0.38 115.31 117.66 3cde h LEU 165 Ca -0.50 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3cde h LEU 165 Cb 1.32 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.45 3cde h LEU 165 CO 0.52 -0.09 0.42 1.23 -0.34 0.00 0.00 178.44 180.18 3cde h GLY 166 N 0.36 1.11 1.03 3.75 0.00 -1.95 -2.37 103.07 105.00 3cde h GLY 166 Ca 0.70 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 3cde h GLY 166 CO -0.59 0.47 0.07 -2.08 0.00 0.00 0.00 176.54 174.42 3cde h VAL 167 N 1.04 1.26 -0.96 4.60 2.07 -1.45 -2.73 116.25 120.07 3cde h VAL 167 Ca 0.27 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.78 3cde h VAL 167 Cb 0.01 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3cde h VAL 167 CO -0.04 0.37 0.64 0.03 0.02 0.00 0.00 177.57 178.58 3cde h ARG 168 N 0.86 1.26 -0.67 1.57 3.08 -1.05 0.39 114.38 119.81 3cde h ARG 168 Ca 0.17 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3cde h ARG 168 Cb 0.45 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3cde h ARG 168 CO 0.02 0.83 0.18 0.28 -1.07 0.00 0.00 179.97 180.21 3cde h VAL 169 N 1.30 1.26 -0.57 2.04 2.07 -1.39 -2.56 116.25 118.40 3cde h VAL 169 Ca 0.35 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 3cde h VAL 169 Cb -0.14 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3cde h VAL 169 CO -0.08 0.35 0.18 0.00 0.02 0.00 0.00 177.57 178.04 3cde h GLU 171 N 0.83 0.58 -0.14 0.00 5.08 -0.68 -1.54 114.58 118.71 3cde h GLU 171 Ca 0.19 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3cde h GLU 171 Cb 0.24 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3cde h GLU 171 CO -0.01 0.38 0.08 0.87 -1.00 0.00 0.00 179.01 179.33 3cde h LYS 172 N 0.60 0.20 -0.35 2.33 1.57 -1.04 0.32 116.57 120.20 3cde h LYS 172 Ca 0.24 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.08 3cde h LYS 172 Cb 0.12 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.31 3cde h LYS 172 CO -0.15 0.21 -0.19 0.52 -0.57 0.00 0.00 179.45 179.27 3cde h MET 173 N 0.13 -0.14 -0.13 3.15 2.86 -1.04 -0.42 114.93 119.35 3cde h MET 173 Ca 0.05 0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.50 3cde h MET 173 Cb 0.07 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3cde h MET 173 CO -0.01 -0.09 -0.71 0.00 1.06 0.00 0.00 176.91 177.16 3cde h ALA 174 N 1.08 0.51 0.00 6.32 0.00 -1.08 -1.25 119.26 124.83 3cde h ALA 174 Ca 0.17 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3cde h ALA 174 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3cde h ALA 174 CO -0.43 0.72 0.00 1.28 0.00 0.00 0.00 179.25 180.82 3cde n LEU 175 N -3.89 0.14 -0.18 0.00 4.77 0.11 -4.76 117.00 113.19 3cde n LEU 175 Ca -0.05 -0.34 -0.04 0.00 -0.03 0.00 0.00 56.01 55.55 3cde n LEU 175 Cb 0.70 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.85 3cde n LEU 175 CO 0.50 0.03 1.05 0.22 -1.33 0.00 0.00 177.39 177.86 3cde h TYR 176 N 0.00 0.54 -0.66 -1.77 3.20 -1.15 -0.37 116.97 116.76 3cde h TYR 176 Ca 0.00 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 3cde h TYR 176 Cb 0.06 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3cde h TYR 176 CO 0.00 0.28 0.09 0.22 -1.64 0.00 0.00 178.16 177.11 3cde h ASP 177 N 0.57 1.07 0.47 -2.11 3.58 -1.79 -2.13 116.42 116.08 3cde h ASP 177 Ca 0.23 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 3cde h ASP 177 Cb 0.11 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.88 3cde h ASP 177 CO -0.14 1.07 -0.22 0.58 -2.88 0.00 0.00 179.24 177.64 3cde h VAL 178 N 1.03 0.54 0.00 2.25 2.07 -1.71 -2.18 116.25 118.25 3cde h VAL 178 Ca 0.20 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.70 3cde h VAL 178 Cb 0.47 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3cde h VAL 178 CO 0.02 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.24 3cde h VAL 179 N -0.64 0.00 0.00 2.57 -1.51 -1.05 0.10 116.25 115.73 3cde h VAL 179 Ca -0.06 -0.34 -0.22 0.00 -1.23 0.00 0.00 66.70 64.85 3cde h VAL 179 Cb 0.49 1.16 -0.04 0.00 -2.13 0.00 0.00 31.29 30.77 3cde h VAL 179 CO 0.11 0.00 -1.27 0.28 -1.23 0.00 0.00 177.57 175.46 3cde h SER 180 N 0.00 0.00 0.00 4.19 0.02 -1.28 -3.43 113.55 113.05 3cde h SER 180 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3cde h SER 180 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3cde h SER 180 CO 0.00 0.88 -1.26 0.35 -1.14 0.00 0.00 176.83 175.66 3cde n THR 181 N -3.15 0.26 -0.17 -2.27 -2.24 -0.83 -4.67 114.28 101.21 3cde n THR 181 Ca -0.07 -0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 3cde n THR 181 Cb 0.94 -0.82 0.01 0.00 -2.10 0.00 0.00 70.33 68.36 3cde n THR 181 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3cde h LEU 182 N 0.00 0.69 -0.74 3.22 6.46 -1.03 -3.20 115.31 120.72 3cde h LEU 182 Ca -0.10 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.46 3cde h LEU 182 Cb 1.21 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.92 3cde h LEU 182 CO -0.00 0.69 0.42 -0.65 -0.62 0.00 0.00 178.44 178.29 3cde h PRO 183 N 0.65 1.02 -0.44 5.25 0.11 -1.82 -0.16 132.00 136.61 3cde h PRO 183 Ca 0.16 -0.11 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 3cde h PRO 183 Cb 0.23 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3cde h PRO 183 CO -0.01 0.74 -0.08 0.37 -0.21 0.00 0.00 178.00 178.82 3cde h GLN 184 N 1.02 0.76 -0.34 1.05 -0.00 -1.87 0.04 115.11 115.77 3cde h GLN 184 Ca 0.26 -0.24 -0.04 0.00 -0.00 0.00 0.00 58.65 58.64 3cde h GLN 184 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.40 3cde h GLN 184 CO -0.05 0.82 0.07 0.28 0.00 0.00 0.00 178.83 179.96 3cde h VAL 185 N 0.70 1.23 -0.40 2.39 2.07 -1.37 0.14 116.25 121.01 3cde h VAL 185 Ca 0.12 -0.79 -0.15 0.00 0.82 0.00 0.00 66.70 66.71 3cde h VAL 185 Cb 0.54 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3cde h VAL 185 CO 0.03 0.26 -0.32 0.58 0.02 0.00 0.00 177.57 178.14 3cde h VAL 186 N 0.39 1.27 -0.01 2.57 2.07 -0.93 -3.36 116.25 118.26 3cde h VAL 186 Ca 0.10 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3cde h VAL 186 Cb 0.32 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3cde h VAL 186 CO 0.00 0.50 -0.32 0.23 0.02 0.00 0.00 177.57 178.01 3cde n MET 187 N -4.11 2.49 0.00 1.57 2.81 -0.01 -4.89 117.12 114.98 3cde n MET 187 Ca -0.02 -0.44 0.00 0.00 -1.81 0.00 0.00 57.70 55.43 3cde n MET 187 Cb 0.51 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 31.94 3cde n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cde n GLY 188 N 1.04 2.72 0.20 3.03 0.00 0.50 -1.98 105.19 110.70 3cde n GLY 188 Ca 0.04 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.97 3cde n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cde h SER 189 N 3.97 0.00 1.14 1.61 4.64 -1.96 -1.48 113.55 121.47 3cde h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cde h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3cde h SER 189 CO 0.00 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.24 3cde h SER 190 N 0.00 0.00 -2.90 4.97 0.02 -1.57 -3.43 113.55 110.64 3cde h SER 190 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 3cde h SER 190 Cb 0.08 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 3cde h SER 190 CO 0.00 0.00 1.11 -0.47 -1.14 0.00 0.00 176.83 176.33 3cde s TYR 191 N -3.45 2.27 0.37 3.45 5.04 -0.56 -0.72 117.35 123.76 3cde s TYR 191 Ca 0.04 0.55 0.10 0.00 -2.44 0.00 0.00 57.07 55.32 3cde s TYR 191 Cb 0.09 -4.35 0.72 0.00 0.35 0.00 0.00 41.96 38.77 3cde s TYR 191 CO 0.53 -2.02 1.86 0.78 -1.34 0.00 0.00 175.55 175.35 3cde h GLY 192 N 13.04 0.16 1.74 8.97 0.00 -1.18 -3.12 103.07 122.68 3cde h GLY 192 Ca -0.27 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3cde h GLY 192 CO 1.15 0.11 0.00 0.69 0.00 0.00 0.00 176.54 178.49 3cde n PHE 193 N -4.19 0.00 1.01 5.60 3.72 -1.26 -2.40 117.46 119.94 3cde n PHE 193 Ca -0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 3cde n PHE 193 Cb 0.34 -0.37 0.57 0.00 -0.94 0.00 0.00 39.48 39.08 3cde n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3cde n GLN 194 N -1.37 0.18 -4.28 -1.08 10.64 -1.18 -3.36 117.38 116.94 3cde n GLN 194 Ca 0.09 0.07 -0.35 0.00 -1.83 0.00 0.00 57.00 54.98 3cde n GLN 194 Cb 0.22 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.00 3cde n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3cde s TYR 195 N -2.78 3.18 0.98 2.61 2.02 -1.01 -4.68 117.35 117.67 3cde s TYR 195 Ca 0.18 0.11 -0.12 0.00 -0.37 0.00 0.00 57.07 56.86 3cde s TYR 195 Cb 0.16 -1.88 0.18 0.00 -0.40 0.00 0.00 41.96 40.02 3cde s TYR 195 CO 0.41 0.34 1.09 -1.54 -1.57 0.00 0.00 175.55 174.27 3cde s SER 196 N -0.43 2.74 0.33 2.29 1.04 -1.26 -4.73 113.70 113.68 3cde s SER 196 Ca 0.08 1.37 0.07 0.00 0.48 0.00 0.00 55.95 57.95 3cde s SER 196 Cb -0.12 -2.05 0.75 0.00 0.10 0.00 0.00 66.02 64.70 3cde s SER 196 CO 0.02 -3.09 1.84 -0.65 0.98 0.00 0.00 173.24 172.34 3cde h PRO 197 N -1.86 0.74 -0.34 4.02 0.11 -1.90 0.34 132.00 133.11 3cde h PRO 197 Ca -0.53 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.39 3cde h PRO 197 Cb 1.31 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3cde h PRO 197 CO 0.55 0.49 -0.34 0.78 -0.21 0.00 0.00 178.00 179.28 3cde h GLY 198 N 0.77 0.90 1.83 -0.55 0.00 -1.92 -1.70 103.07 102.39 3cde h GLY 198 Ca 0.50 -0.92 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 3cde h GLY 198 CO -0.26 0.83 -0.37 1.46 0.00 0.00 0.00 176.54 178.20 3cde h GLN 199 N 0.61 0.19 -0.39 4.80 4.20 -1.78 -0.76 115.11 121.99 3cde h GLN 199 Ca 0.05 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3cde h GLN 199 Cb 0.92 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 3cde h GLN 199 CO 0.08 0.54 0.05 -0.09 -0.67 0.00 0.00 178.83 178.74 3cde h ARG 200 N 0.17 0.66 0.03 1.46 2.43 -0.71 -1.17 114.38 117.25 3cde h ARG 200 Ca 0.02 -0.19 0.01 0.00 -0.81 0.00 0.00 59.98 59.01 3cde h ARG 200 Cb 0.73 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3cde h ARG 200 CO 0.05 0.72 -0.06 0.28 -1.51 0.00 0.00 179.97 179.45 3cde h VAL 201 N 0.50 0.85 -0.45 0.20 2.07 -1.04 -0.95 116.25 117.42 3cde h VAL 201 Ca 0.12 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.72 3cde h VAL 201 Cb 0.40 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 3cde h VAL 201 CO 0.01 0.00 0.04 -0.08 0.02 0.00 0.00 177.57 177.57 3cde h GLU 202 N -0.13 0.16 -0.55 1.57 4.81 -1.04 0.77 114.58 120.16 3cde h GLU 202 Ca 0.01 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3cde h GLU 202 Cb 0.14 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3cde h GLU 202 CO -0.04 0.11 0.28 0.35 -0.73 0.00 0.00 179.01 178.97 3cde h PHE 203 N 0.16 0.78 -0.19 0.92 3.57 -0.99 -0.30 116.94 120.89 3cde h PHE 203 Ca 0.22 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 3cde h PHE 203 Cb 0.31 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3cde h PHE 203 CO -0.25 0.59 0.01 -0.07 -2.23 0.00 0.00 178.31 176.36 3cde h LEU 204 N 0.74 0.33 0.03 0.59 3.38 -0.58 -1.02 115.31 118.77 3cde h LEU 204 Ca 0.19 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3cde h LEU 204 Cb 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3cde h LEU 204 CO -0.03 0.54 -0.01 0.58 0.09 0.00 0.00 178.44 179.61 3cde h VAL 205 N 0.10 1.04 -0.61 1.22 2.07 -0.83 0.22 116.25 119.46 3cde h VAL 205 Ca 0.06 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3cde h VAL 205 Cb 0.36 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3cde h VAL 205 CO 0.01 0.06 0.36 0.78 0.02 0.00 0.00 177.57 178.79 3cde h ASN 206 N -0.14 0.73 -0.15 0.57 2.35 -1.06 -0.57 115.58 117.32 3cde h ASN 206 Ca -0.00 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3cde h ASN 206 Cb 0.12 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 3cde h ASN 206 CO 0.01 0.57 -0.04 0.74 -1.65 0.00 0.00 177.43 177.06 3cde h THR 207 N 0.84 1.29 -0.49 2.81 2.02 -0.99 -1.25 112.91 117.14 3cde h THR 207 Ca 0.22 -1.00 0.06 0.00 0.77 0.00 0.00 66.41 66.46 3cde h THR 207 Cb -0.01 1.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 3cde h THR 207 CO -0.04 0.29 0.19 -0.25 0.37 0.00 0.00 175.52 176.08 3cde h TRP 208 N -0.02 0.34 0.00 3.16 2.91 -0.65 -1.93 115.95 119.76 3cde h TRP 208 Ca 0.04 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 3cde h TRP 208 Cb 0.47 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 29.04 3cde h TRP 208 CO 0.05 0.12 -0.15 0.87 -1.03 0.00 0.00 178.44 178.31 3cde h LYS 209 N 0.38 0.00 0.00 2.65 1.57 -1.09 -2.91 116.57 117.17 3cde h LYS 209 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3cde h LYS 209 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3cde h LYS 209 CO -0.22 0.15 0.00 -1.13 -0.57 0.00 0.00 179.45 177.68 3cde n SER 210 N -3.27 0.58 -4.87 0.86 3.41 -0.48 -4.76 113.62 105.10 3cde n SER 210 Ca 0.01 0.64 -0.36 0.00 -0.26 0.00 0.00 58.87 58.89 3cde n SER 210 Cb 0.41 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.55 3cde n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3cde s LYS 211 N -3.26 3.70 0.05 4.33 -0.14 -1.10 -5.02 119.74 118.31 3cde s LYS 211 Ca 0.05 0.12 -0.28 0.00 -1.36 0.00 0.00 55.97 54.51 3cde s LYS 211 Cb 0.10 -3.10 -0.17 0.00 -1.68 0.00 0.00 37.83 32.97 3cde s LYS 211 CO 0.39 0.65 1.53 0.87 -0.76 0.00 0.00 175.35 178.02 3cde h LYS 212 N 4.21 -0.46 -2.89 1.68 1.57 -1.88 -3.37 116.57 115.43 3cde h LYS 212 Ca -0.51 0.03 -0.61 0.00 -1.87 0.00 0.00 60.65 57.70 3cde h LYS 212 Cb 1.21 0.10 -0.40 0.00 0.08 0.00 0.00 32.23 33.22 3cde h LYS 212 CO 0.64 -0.23 -0.75 -0.80 -0.57 0.00 0.00 179.45 177.74 3cde s ASN 213 N -4.87 3.46 0.51 0.86 0.01 -1.26 -5.09 114.94 108.55 3cde s ASN 213 Ca -0.15 -2.91 -0.22 0.00 -0.71 0.00 0.00 52.86 48.86 3cde s ASN 213 Cb 0.04 -1.03 -0.06 0.00 0.41 0.00 0.00 41.25 40.61 3cde s ASN 213 CO 0.61 -0.22 1.24 -2.16 -1.51 0.00 0.00 177.10 175.06 3cde s PRO 214 N -0.01 3.45 0.01 -0.60 0.04 -1.26 -0.13 135.00 136.49 3cde s PRO 214 Ca 0.22 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3cde s PRO 214 Cb -0.16 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 3cde s PRO 214 CO -0.06 -0.85 -0.01 1.41 0.04 0.00 0.00 177.00 177.52 3cde s MET 215 N -2.85 0.12 0.06 4.56 1.75 -0.29 -4.64 119.30 118.00 3cde s MET 215 Ca 0.68 -0.19 -0.03 0.00 -1.25 0.00 0.00 55.69 54.91 3cde s MET 215 Cb -0.33 -0.01 -0.03 0.00 2.84 0.00 0.00 34.83 37.30 3cde s MET 215 CO 0.39 -0.00 0.02 0.20 -0.65 0.00 0.00 175.02 174.98 3cde s GLY 216 N -0.42 0.37 -0.04 2.11 0.00 -0.55 -0.26 107.32 108.53 3cde s GLY 216 Ca -0.04 -1.02 -0.21 0.00 0.00 0.00 0.00 44.72 43.45 3cde s GLY 216 CO -0.00 -1.15 0.46 -0.11 0.00 0.00 0.00 173.10 172.30 3cde s PHE 217 N -3.70 -0.38 0.07 1.90 -0.71 -0.39 -0.26 117.98 114.51 3cde s PHE 217 Ca 0.05 0.66 -0.08 0.00 -1.04 0.00 0.00 56.93 56.51 3cde s PHE 217 Cb 0.06 0.22 -0.05 0.00 -1.21 0.00 0.00 43.02 42.03 3cde s PHE 217 CO -0.09 -0.46 0.37 -1.54 -1.34 0.00 0.00 175.22 172.15 3cde s SER 218 N -1.16 6.59 -0.22 1.98 1.04 -1.26 -1.20 113.70 119.47 3cde s SER 218 Ca -0.12 0.71 -0.01 0.00 0.48 0.00 0.00 55.95 57.02 3cde s SER 218 Cb -0.03 -2.15 0.02 0.00 0.10 0.00 0.00 66.02 63.96 3cde s SER 218 CO 0.06 0.18 -0.10 -0.47 0.98 0.00 0.00 173.24 173.89 3cde s TYR 219 N -1.40 2.98 -0.44 5.02 5.04 -0.43 -4.53 117.35 123.59 3cde s TYR 219 Ca 0.32 -1.53 -0.17 0.00 -2.44 0.00 0.00 57.07 53.26 3cde s TYR 219 Cb -0.14 -2.02 0.03 0.00 0.35 0.00 0.00 41.96 40.19 3cde s TYR 219 CO 0.18 -0.73 0.42 0.34 -1.34 0.00 0.00 175.55 174.42 3cde s ASP 220 N 1.32 6.17 0.14 4.32 2.15 -1.26 -4.09 116.67 125.43 3cde s ASP 220 Ca 0.02 -0.85 -0.30 0.00 0.43 0.00 0.00 52.55 51.85 3cde s ASP 220 Cb -0.15 -2.21 -0.07 0.00 -0.30 0.00 0.00 42.92 40.19 3cde s ASP 220 CO -0.07 -0.60 1.01 -0.89 -0.17 0.00 0.00 175.17 174.45 3cde s THR 221 N 2.02 4.26 -0.20 1.71 2.01 -1.26 0.54 115.64 124.73 3cde s THR 221 Ca 0.10 1.92 -0.29 0.00 0.31 0.00 0.00 61.69 63.73 3cde s THR 221 Cb -0.19 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.07 3cde s THR 221 CO 0.12 0.32 1.49 -0.60 -0.69 0.00 0.00 174.62 175.25 3cde s ARG 222 N -0.19 3.97 -0.99 4.92 3.52 -0.25 -4.05 118.95 125.88 3cde s ARG 222 Ca 0.47 1.67 -0.13 0.00 -0.13 0.00 0.00 55.73 57.61 3cde s ARG 222 Cb -0.25 -3.94 -0.00 0.00 -1.56 0.00 0.00 34.95 29.19 3cde s ARG 222 CO 0.32 -1.07 0.72 0.00 -0.81 0.00 0.00 175.30 174.46 3cde h PHE 224 N -1.09 -0.23 -0.87 0.00 3.57 -1.96 -1.09 116.94 115.27 3cde h PHE 224 Ca -0.53 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.14 3cde h PHE 224 Cb 1.30 0.19 -0.08 0.00 2.79 0.00 0.00 35.95 40.15 3cde h PHE 224 CO 0.28 -0.23 0.49 -0.44 -2.23 0.00 0.00 178.31 176.19 3cde h ASP 225 N 0.03 0.67 0.52 0.41 3.32 -1.91 -0.45 116.42 119.02 3cde h ASP 225 Ca 0.29 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 3cde h ASP 225 Cb 0.46 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3cde h ASP 225 CO -0.58 0.34 -0.21 0.28 -1.72 0.00 0.00 179.24 177.35 3cde h SER 226 N 0.76 0.00 1.53 6.45 0.02 -1.50 -2.30 113.55 118.51 3cde h SER 226 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3cde h SER 226 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3cde h SER 226 CO -0.30 0.21 -0.14 0.71 -1.14 0.00 0.00 176.83 176.18 3cde h THR 227 N 0.00 0.00 -2.81 -2.27 1.35 -0.80 -3.45 112.91 104.93 3cde h THR 227 Ca -0.00 -0.67 -0.55 0.00 -0.55 0.00 0.00 66.41 64.64 3cde h THR 227 Cb 0.53 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 3cde h THR 227 CO 0.03 0.00 0.93 -0.69 -0.25 0.00 0.00 175.52 175.53 3cde s VAL 228 N -3.16 3.71 0.45 6.82 1.01 -1.04 -4.79 120.40 123.41 3cde s VAL 228 Ca 0.08 1.01 0.07 0.00 0.00 0.00 0.00 61.98 63.15 3cde s VAL 228 Cb 0.10 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.85 3cde s VAL 228 CO 0.65 -0.04 0.61 0.42 0.00 0.00 0.00 175.10 176.74 3cde s THR 229 N 3.03 2.89 0.18 3.92 -4.23 -1.26 -3.90 115.64 116.26 3cde s THR 229 Ca 0.66 -0.96 -0.14 0.00 -1.18 0.00 0.00 61.69 60.07 3cde s THR 229 Cb -0.31 -2.93 0.09 0.00 1.34 0.00 0.00 72.50 70.69 3cde s THR 229 CO 0.26 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 175.97 3cde h GLU 230 N 0.53 0.17 -0.46 3.99 4.81 -1.86 -1.51 114.58 120.26 3cde h GLU 230 Ca -0.39 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 58.91 3cde h GLU 230 Cb 1.28 -0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.53 3cde h GLU 230 CO 0.45 0.11 -0.34 -0.97 -0.73 0.00 0.00 179.01 177.53 3cde h ASN 231 N 0.17 -1.15 -0.60 1.04 -1.24 -1.97 0.11 115.58 111.95 3cde h ASN 231 Ca 0.22 0.21 0.10 0.00 0.71 0.00 0.00 56.30 57.54 3cde h ASN 231 Cb 0.30 0.54 -0.08 0.00 0.73 0.00 0.00 38.32 39.82 3cde h ASN 231 CO -0.32 -0.32 0.19 0.44 -1.29 0.00 0.00 177.43 176.12 3cde h ASP 232 N -0.23 0.14 0.14 1.15 3.32 -1.78 0.28 116.42 119.43 3cde h ASP 232 Ca 0.19 0.09 -0.18 0.00 0.02 0.00 0.00 57.03 57.15 3cde h ASP 232 Cb 0.55 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 3cde h ASP 232 CO -0.59 0.08 -0.66 0.40 -1.72 0.00 0.00 179.24 176.76 3cde h ILE 233 N 0.34 1.35 -0.54 0.35 2.04 -0.78 -0.31 117.51 119.96 3cde h ILE 233 Ca 0.31 -1.98 -0.11 0.00 1.00 0.00 0.00 64.86 64.08 3cde h ILE 233 Cb 0.41 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 3cde h ILE 233 CO -0.34 0.61 -0.08 0.03 0.00 0.00 0.00 178.15 178.36 3cde h ARG 234 N 0.35 1.01 -0.41 2.37 3.08 -0.31 -1.93 114.38 118.54 3cde h ARG 234 Ca -0.02 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 3cde h ARG 234 Cb 1.22 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 3cde h ARG 234 CO 0.12 1.05 0.24 0.28 -1.07 0.00 0.00 179.97 180.59 3cde h VAL 235 N 0.88 1.14 -0.87 2.04 2.07 -0.26 -1.12 116.25 120.13 3cde h VAL 235 Ca 0.14 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.39 3cde h VAL 235 Cb 0.65 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3cde h VAL 235 CO 0.04 0.14 0.55 1.05 0.02 0.00 0.00 177.57 179.37 3cde h GLU 236 N 0.54 0.99 -0.62 1.57 4.11 -0.99 -1.55 114.58 118.63 3cde h GLU 236 Ca 0.15 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.49 3cde h GLU 236 Cb 0.01 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 3cde h GLU 236 CO -0.03 0.65 0.27 1.49 0.07 0.00 0.00 179.01 181.47 3cde h GLU 237 N 1.02 0.91 -0.42 1.06 4.81 -0.93 -1.46 114.58 119.58 3cde h GLU 237 Ca 0.37 -0.15 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 3cde h GLU 237 Cb 0.13 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3cde h GLU 237 CO -0.16 0.76 0.28 0.66 -0.73 0.00 0.00 179.01 179.82 3cde h SER 238 N 0.86 0.26 -0.02 1.04 4.64 -0.45 0.09 113.55 119.97 3cde h SER 238 Ca 0.21 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 3cde h SER 238 Cb 0.17 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3cde h SER 238 CO -0.02 0.17 -0.02 0.40 -0.87 0.00 0.00 176.83 176.49 3cde h ILE 239 N 0.30 1.37 -0.73 0.95 2.04 -0.49 -2.95 117.51 118.00 3cde h ILE 239 Ca 0.19 -1.12 0.12 0.00 1.00 0.00 0.00 64.86 65.05 3cde h ILE 239 Cb 0.36 2.07 -0.09 0.00 -0.74 0.00 0.00 36.82 38.42 3cde h ILE 239 CO -0.04 0.30 0.31 1.88 0.00 0.00 0.00 178.15 180.60 3cde h TYR 240 N -0.40 0.53 0.00 1.37 0.05 -0.63 -2.10 116.97 115.80 3cde h TYR 240 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3cde h TYR 240 Cb 0.49 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.11 3cde h TYR 240 CO 0.09 0.11 0.00 1.04 -1.05 0.00 0.00 178.16 178.35 3cde n GLN 241 N -4.96 0.18 0.23 4.88 1.13 -0.04 -1.68 117.38 117.12 3cde n GLN 241 Ca 0.13 0.44 0.08 0.00 -1.94 0.00 0.00 57.00 55.71 3cde n GLN 241 Cb 0.36 -1.87 0.57 0.00 0.11 0.00 0.00 30.24 29.41 3cde n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cde s ASP 244 N -2.09 6.64 0.06 0.00 -1.08 0.93 -4.98 116.67 116.16 3cde s ASP 244 Ca 0.74 0.99 0.03 0.00 -0.52 0.00 0.00 52.55 53.79 3cde s ASP 244 Cb -0.29 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.60 3cde s ASP 244 CO 0.46 -1.14 -0.09 -0.76 0.52 0.00 0.00 175.17 174.15 3cde s LEU 245 N 4.47 2.31 0.51 -1.34 1.43 -1.26 -1.38 118.68 123.42 3cde s LEU 245 Ca 0.54 -0.64 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 3cde s LEU 245 Cb -0.14 -0.24 -0.06 0.00 0.03 0.00 0.00 46.19 45.78 3cde s LEU 245 CO 0.25 -0.21 1.40 0.00 0.23 0.00 0.00 176.35 178.02 3cde n ALA 246 N 1.15 1.83 -0.31 4.21 0.00 -1.26 -4.84 120.51 121.29 3cde n ALA 246 Ca -0.21 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.53 3cde n ALA 246 Cb 0.56 -2.38 0.29 0.00 0.00 0.00 0.00 19.45 17.91 3cde n ALA 246 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3cde h PRO 247 N 1.80 0.52 -0.34 0.00 0.11 -2.00 -1.01 132.00 131.07 3cde h PRO 247 Ca -0.51 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 3cde h PRO 247 Cb 1.29 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3cde h PRO 247 CO 0.59 0.34 -0.19 0.93 -0.21 0.00 0.00 178.00 179.46 3cde h GLU 248 N 0.54 0.63 -0.36 1.05 5.08 -2.00 -2.37 114.58 117.15 3cde h GLU 248 Ca 0.54 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 3cde h GLU 248 Cb 0.92 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 3cde h GLU 248 CO -0.45 0.78 0.20 0.00 -1.00 0.00 0.00 179.01 178.54 3cde h ALA 249 N 1.23 0.46 -0.38 3.43 0.00 -1.62 -1.38 119.26 121.00 3cde h ALA 249 Ca 0.09 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3cde h ALA 249 Cb 0.64 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3cde h ALA 249 CO 0.05 -0.01 0.09 0.00 0.00 0.00 0.00 179.25 179.37 3cde h ARG 250 N 0.45 0.21 -0.36 0.00 3.08 -0.97 -1.14 114.38 115.66 3cde h ARG 250 Ca 0.13 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 3cde h ARG 250 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3cde h ARG 250 CO -0.02 0.14 -0.04 0.37 -1.07 0.00 0.00 179.97 179.35 3cde h GLN 251 N 0.22 0.66 -0.68 0.04 5.75 -1.33 -1.97 115.11 117.80 3cde h GLN 251 Ca 0.18 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 3cde h GLN 251 Cb 0.21 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 3cde h GLN 251 CO -0.23 0.80 0.27 0.00 -2.65 0.00 0.00 178.83 177.02 3cde h ALA 252 N 0.84 1.20 -0.27 3.38 0.00 -0.99 -0.32 119.26 123.09 3cde h ALA 252 Ca 0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3cde h ALA 252 Cb 0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3cde h ALA 252 CO 0.03 0.59 -0.11 0.82 0.00 0.00 0.00 179.25 180.58 3cde h ILE 253 N 0.98 1.29 -0.34 0.00 2.04 -1.13 0.10 117.51 120.46 3cde h ILE 253 Ca 0.23 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 64.95 3cde h ILE 253 Cb 0.19 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3cde h ILE 253 CO -0.02 0.37 0.14 0.50 0.00 0.00 0.00 178.15 179.14 3cde h LYS 254 N 0.29 0.29 -0.04 2.37 3.64 -1.15 -0.64 116.57 121.33 3cde h LYS 254 Ca 0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3cde h LYS 254 Cb 0.60 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3cde h LYS 254 CO 0.03 0.19 0.01 1.03 -2.27 0.00 0.00 179.45 178.45 3cde h SER 255 N 0.30 0.06 -0.99 4.20 0.87 -0.94 -1.61 113.55 115.43 3cde h SER 255 Ca 0.15 -0.19 0.07 0.00 -1.23 0.00 0.00 61.79 60.59 3cde h SER 255 Cb 0.09 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 61.97 3cde h SER 255 CO -0.13 0.23 0.64 -0.07 -0.53 0.00 0.00 176.83 176.97 3cde h LEU 256 N -0.12 1.01 0.30 2.23 3.38 -0.74 0.05 115.31 121.42 3cde h LEU 256 Ca 0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3cde h LEU 256 Cb 0.19 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3cde h LEU 256 CO -0.00 0.64 -0.14 0.74 0.09 0.00 0.00 178.44 179.76 3cde h THR 257 N 1.14 0.73 -0.61 0.22 2.02 -0.88 0.11 112.91 115.65 3cde h THR 257 Ca 0.43 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 67.27 3cde h THR 257 Cb 0.20 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3cde h THR 257 CO -0.18 0.05 0.02 -0.33 0.37 0.00 0.00 175.52 175.46 3cde h GLU 258 N -0.54 1.05 0.00 6.66 4.39 -1.09 -1.68 114.58 123.38 3cde h GLU 258 Ca -0.04 -0.32 -0.14 0.00 0.34 0.00 0.00 59.36 59.20 3cde h GLU 258 Cb 0.40 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3cde h GLU 258 CO 0.07 1.01 -1.59 0.54 -1.16 0.00 0.00 179.01 177.88 3cde n ARG 259 N -4.19 0.63 0.05 2.33 1.74 -0.01 -4.70 116.66 112.51 3cde n ARG 259 Ca 0.03 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3cde n ARG 259 Cb 0.33 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3cde n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3cde n LEU 260 N -2.73 0.36 -0.21 0.55 7.94 0.17 -0.34 117.00 122.74 3cde n LEU 260 Ca -0.11 0.17 -0.09 0.00 -1.11 0.00 0.00 56.01 54.88 3cde n LEU 260 Cb 0.80 -0.02 0.04 0.00 0.53 0.00 0.00 43.42 44.76 3cde n LEU 260 CO 0.43 -0.54 0.84 1.88 -1.11 0.00 0.00 177.39 178.89 3cde h TYR 261 N 0.00 1.16 -0.09 1.96 0.05 -0.81 -2.91 116.97 116.33 3cde h TYR 261 Ca 0.00 -0.19 -0.10 0.00 0.05 0.00 0.00 58.73 58.49 3cde h TYR 261 Cb 0.25 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 3cde h TYR 261 CO 0.00 1.01 -0.39 0.82 -1.05 0.00 0.00 178.16 178.55 3cde h ILE 262 N 0.98 1.30 0.00 -2.88 2.04 -1.56 -3.41 117.51 113.98 3cde h ILE 262 Ca 0.18 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.58 3cde h ILE 262 Cb 0.54 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3cde h ILE 262 CO 0.03 0.43 0.00 0.61 0.00 0.00 0.00 178.15 179.22 3cde n GLY 263 N -0.26 -2.81 0.00 5.37 0.00 -1.10 -3.92 105.19 102.47 3cde n GLY 263 Ca -0.01 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3cde n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cde n GLY 264 N -0.91 1.28 3.77 -0.02 0.00 -0.66 -4.17 105.19 104.50 3cde n GLY 264 Ca 0.00 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 3cde n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cde s PRO 265 N -2.00 3.00 -0.10 1.61 0.04 -1.26 -1.19 135.00 135.10 3cde s PRO 265 Ca 0.00 1.48 0.04 0.00 0.04 0.00 0.00 61.00 62.57 3cde s PRO 265 Cb 0.00 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 3cde s PRO 265 CO 0.00 -1.11 -0.24 -0.51 0.04 0.00 0.00 177.00 175.18 3cde s LEU 266 N -4.46 2.11 -0.07 -3.56 1.43 -0.24 -3.25 118.68 110.62 3cde s LEU 266 Ca 0.69 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 3cde s LEU 266 Cb -0.22 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.59 3cde s LEU 266 CO 0.36 0.17 -0.19 -0.89 0.23 0.00 0.00 176.35 176.03 3cde s THR 267 N 0.29 1.63 0.98 5.49 2.01 -0.14 0.29 115.64 126.18 3cde s THR 267 Ca -0.17 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 60.89 3cde s THR 267 Cb -0.17 -1.42 0.19 0.00 0.01 0.00 0.00 72.50 71.10 3cde s THR 267 CO 0.08 0.46 1.22 0.54 -0.69 0.00 0.00 174.62 176.24 3cde s ASN 268 N 0.34 2.97 0.60 3.53 2.20 -0.12 -1.43 114.94 123.03 3cde s ASN 268 Ca -0.13 0.57 0.37 0.00 -0.94 0.00 0.00 52.86 52.73 3cde s ASN 268 Cb -0.16 -0.83 1.89 0.00 -2.00 0.00 0.00 41.25 40.15 3cde s ASN 268 CO 0.05 -2.85 2.19 0.77 -2.94 0.00 0.00 177.10 174.33 3cde h SER 269 N -1.71 0.00 0.70 3.54 4.64 -1.77 -1.05 113.55 117.89 3cde h SER 269 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3cde h SER 269 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3cde h SER 269 CO 0.47 0.03 -0.11 0.29 -0.87 0.00 0.00 176.83 176.63 3cde n LYS 270 N -3.26 0.22 -0.45 4.77 5.02 -1.26 -4.94 118.16 118.26 3cde n LYS 270 Ca -0.02 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3cde n LYS 270 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3cde n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cde n GLY 271 N 1.42 0.78 3.82 0.72 0.00 -0.40 -5.07 105.19 106.45 3cde n GLY 271 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3cde n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cde s GLN 272 N -0.55 4.21 -0.11 1.61 -0.21 -1.26 -4.82 119.66 118.53 3cde s GLN 272 Ca 0.00 0.81 -0.29 0.00 0.02 0.00 0.00 55.36 55.90 3cde s GLN 272 Cb 0.00 -2.87 -0.03 0.00 1.00 0.00 0.00 33.01 31.10 3cde s GLN 272 CO 0.00 0.40 1.45 1.21 -2.12 0.00 0.00 175.29 176.23 3cde s ASN 273 N -1.68 6.81 0.06 5.90 3.04 -1.26 -0.95 114.94 126.87 3cde s ASN 273 Ca 0.43 1.96 0.22 0.00 0.04 0.00 0.00 52.86 55.51 3cde s ASN 273 Cb -0.16 -2.54 -0.12 0.00 -1.54 0.00 0.00 41.25 36.89 3cde s ASN 273 CO 0.21 -0.84 0.83 0.00 -3.04 0.00 0.00 177.10 174.26 3cde n GLY 275 N 1.29 0.49 3.00 0.00 0.00 -1.21 -1.01 105.19 107.74 3cde n GLY 275 Ca -0.01 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 3cde n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cde s TYR 276 N -4.00 -0.12 -0.14 1.61 5.04 0.10 -1.08 117.35 118.76 3cde s TYR 276 Ca 0.00 0.29 -0.04 0.00 -2.44 0.00 0.00 57.07 54.88 3cde s TYR 276 Cb 0.00 0.04 -0.03 0.00 0.35 0.00 0.00 41.96 42.31 3cde s TYR 276 CO 0.00 -0.07 0.00 0.50 -1.34 0.00 0.00 175.55 174.64 3cde s ARG 277 N -0.02 3.53 -0.15 4.97 3.52 -0.33 -1.00 118.95 129.47 3cde s ARG 277 Ca -0.01 -0.43 0.16 0.00 -0.13 0.00 0.00 55.73 55.32 3cde s ARG 277 Cb -0.01 -2.96 0.43 0.00 -1.56 0.00 0.00 34.95 30.85 3cde s ARG 277 CO 0.00 0.40 1.20 0.54 -0.81 0.00 0.00 175.30 176.64 3cde n ARG 278 N 3.07 1.20 -2.66 5.12 1.74 0.28 -1.65 116.66 123.77 3cde n ARG 278 Ca -0.18 -2.95 -0.06 0.00 -0.77 0.00 0.00 57.85 53.89 3cde n ARG 278 Cb 0.53 -1.15 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 3cde n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cde s ARG 280 N -2.41 4.14 -0.02 0.00 6.06 -0.88 -4.58 118.95 121.25 3cde s ARG 280 Ca 0.13 2.58 -0.30 0.00 -2.50 0.00 0.00 55.73 55.63 3cde s ARG 280 Cb 0.00 -3.29 -0.03 0.00 0.06 0.00 0.00 34.95 31.70 3cde s ARG 280 CO 0.09 -0.77 1.01 0.00 -2.50 0.00 0.00 175.30 173.12 3cde s ALA 281 N 1.79 3.24 -0.66 6.12 0.00 -1.26 -4.75 121.76 126.23 3cde s ALA 281 Ca 0.77 0.52 0.26 0.00 0.00 0.00 0.00 51.96 53.50 3cde s ALA 281 Cb -0.48 -3.38 0.76 0.00 0.00 0.00 0.00 23.12 20.03 3cde s ALA 281 CO 0.34 -0.35 1.75 0.66 0.00 0.00 0.00 175.76 178.16 3cde h SER 282 N 6.89 0.00 -1.14 0.00 4.64 -1.90 -3.33 113.55 118.72 3cde h SER 282 Ca -0.38 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.33 3cde h SER 282 Cb 1.20 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.90 3cde h SER 282 CO 0.78 0.00 -0.35 0.61 -0.87 0.00 0.00 176.83 177.01 3cde n GLY 283 N 1.18 6.12 3.57 -0.77 0.00 0.33 -4.27 105.19 111.35 3cde n GLY 283 Ca 0.05 -2.63 -0.25 0.00 0.00 0.00 0.00 46.02 43.19 3cde n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cde s VAL 284 N -4.96 2.38 0.31 1.61 -7.23 -1.20 -4.39 120.40 106.92 3cde s VAL 284 Ca 0.52 -2.13 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 3cde s VAL 284 Cb 0.43 -2.69 0.23 0.00 0.56 0.00 0.00 36.38 34.91 3cde s VAL 284 CO -0.08 -0.20 1.94 0.25 -0.31 0.00 0.00 175.10 176.70 3cde h LEU 285 N 1.95 0.85 -0.42 1.32 5.85 -1.80 -2.60 115.31 120.47 3cde h LEU 285 Ca -0.42 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3cde h LEU 285 Cb 1.25 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3cde h LEU 285 CO 0.69 0.67 0.00 0.35 -0.34 0.00 0.00 178.44 179.81 3cde n THR 286 N -4.38 0.05 0.03 1.05 -2.24 -1.26 -4.28 114.28 103.25 3cde n THR 286 Ca 0.07 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 3cde n THR 286 Cb 0.08 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 3cde n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3cde h THR 287 N 0.90 0.55 0.12 4.28 2.02 -1.73 0.62 112.91 119.67 3cde h THR 287 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3cde h THR 287 Cb 0.19 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3cde h THR 287 CO 0.00 0.00 -0.06 -1.28 0.37 0.00 0.00 175.52 174.55 3cde h SER 288 N -0.26 -0.14 -0.24 4.18 0.87 -1.74 -0.90 113.55 115.31 3cde h SER 288 Ca 0.08 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 3cde h SER 288 Cb 0.37 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3cde h SER 288 CO -0.22 0.18 0.05 0.00 -0.53 0.00 0.00 176.83 176.32 3cde h GLY 290 N 0.22 0.30 1.02 0.00 0.00 0.20 -1.06 103.07 103.75 3cde h GLY 290 Ca 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 3cde h GLY 290 CO 0.00 -0.05 0.27 3.43 0.00 0.00 0.00 176.54 180.19 3cde h ASN 291 N 0.10 0.97 0.32 0.19 2.35 -1.00 -1.68 115.58 116.83 3cde h ASN 291 Ca 0.14 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3cde h ASN 291 Cb 0.18 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3cde h ASN 291 CO -0.23 0.88 -0.15 0.74 -1.65 0.00 0.00 177.43 177.02 3cde h THR 292 N 1.00 0.71 -0.51 2.81 2.02 -0.72 0.57 112.91 118.78 3cde h THR 292 Ca 0.23 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.28 3cde h THR 292 Cb 0.22 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 3cde h THR 292 CO -0.02 0.04 0.25 -0.07 0.37 0.00 0.00 175.52 176.09 3cde h LEU 293 N -0.52 0.34 -0.35 2.58 3.38 -1.19 -0.06 115.31 119.50 3cde h LEU 293 Ca -0.04 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3cde h LEU 293 Cb 0.39 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3cde h LEU 293 CO 0.07 0.23 -0.17 0.74 0.09 0.00 0.00 178.44 179.41 3cde h THR 294 N 0.48 1.29 -0.46 0.22 2.02 -1.20 0.92 112.91 116.17 3cde h THR 294 Ca 0.23 -1.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 3cde h THR 294 Cb 0.16 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3cde h THR 294 CO -0.18 0.42 0.20 0.00 0.37 0.00 0.00 175.52 176.34 3cde h TYR 296 N 0.60 0.86 0.36 0.00 3.20 -0.88 0.09 116.97 121.20 3cde h TYR 296 Ca 0.15 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3cde h TYR 296 Cb 0.15 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3cde h TYR 296 CO -0.00 0.71 -0.17 1.25 -1.64 0.00 0.00 178.16 178.30 3cde h LEU 297 N 0.77 -0.41 -0.41 2.82 5.85 -0.73 -0.63 115.31 122.58 3cde h LEU 297 Ca 0.19 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3cde h LEU 297 Cb 0.22 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3cde h LEU 297 CO -0.01 -0.26 0.24 0.11 -0.34 0.00 0.00 178.44 178.18 3cde h LYS 298 N -0.52 0.56 -0.33 1.25 1.57 -1.22 -2.56 116.57 115.32 3cde h LYS 298 Ca -0.05 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 3cde h LYS 298 Cb 0.39 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3cde h LYS 298 CO 0.08 0.42 -0.14 0.00 -0.57 0.00 0.00 179.45 179.24 3cde h ALA 299 N 1.10 0.47 -0.30 3.86 0.00 -0.97 0.18 119.26 123.60 3cde h ALA 299 Ca 0.15 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3cde h ALA 299 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3cde h ALA 299 CO -0.03 0.36 0.08 0.77 0.00 0.00 0.00 179.25 180.44 3cde h SER 300 N 0.46 0.07 -0.55 0.00 0.02 -1.08 0.18 113.55 112.64 3cde h SER 300 Ca 0.08 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3cde h SER 300 Cb 0.67 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 3cde h SER 300 CO 0.04 0.07 0.18 0.00 -1.14 0.00 0.00 176.83 175.99 3cde h ALA 301 N 1.20 1.20 -0.25 3.77 0.00 -1.37 -2.60 119.26 121.22 3cde h ALA 301 Ca 0.13 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3cde h ALA 301 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3cde h ALA 301 CO -0.16 0.56 -0.31 0.00 0.00 0.00 0.00 179.25 179.34 3cde h ALA 302 N 1.33 1.01 -0.84 0.00 0.00 -0.26 -1.37 119.26 119.14 3cde h ALA 302 Ca 0.20 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3cde h ALA 302 Cb 0.26 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3cde h ALA 302 CO -0.01 0.59 0.40 0.00 0.00 0.00 0.00 179.25 180.23 3cde h ARG 304 N 1.19 0.50 -0.82 0.00 3.08 -1.22 -0.79 114.38 116.31 3cde h ARG 304 Ca 0.29 -0.19 0.09 0.00 0.07 0.00 0.00 59.98 60.24 3cde h ARG 304 Cb 0.13 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 3cde h ARG 304 CO -0.03 0.71 0.47 0.00 -1.07 0.00 0.00 179.97 180.05 3cde h ALA 305 N 0.77 1.17 -0.01 0.04 0.00 -1.10 -1.87 119.26 118.27 3cde h ALA 305 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3cde h ALA 305 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3cde h ALA 305 CO 0.02 0.10 -0.11 0.00 0.00 0.00 0.00 179.25 179.26 3cde n ALA 306 N -2.38 2.79 -3.94 0.00 0.00 -0.43 -4.94 120.51 111.61 3cde n ALA 306 Ca 0.13 -0.31 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 3cde n ALA 306 Cb 0.27 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.44 3cde n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cde n LYS 307 N -0.77 -4.74 -1.84 0.00 5.02 -0.39 -4.88 118.16 110.55 3cde n LYS 307 Ca 0.15 0.54 -0.41 0.00 -2.02 0.00 0.00 58.31 56.57 3cde n LYS 307 Cb 0.29 -5.26 -0.02 0.00 -0.02 0.00 0.00 35.03 30.02 3cde n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cde s LEU 308 N -7.14 4.36 -0.21 -0.35 1.02 -0.69 -4.96 118.68 110.70 3cde s LEU 308 Ca 0.49 2.86 -0.20 0.00 0.02 0.00 0.00 54.13 57.30 3cde s LEU 308 Cb -0.25 -3.63 -0.03 0.00 0.02 0.00 0.00 46.19 42.30 3cde s LEU 308 CO 0.85 -0.86 0.62 -1.10 0.02 0.00 0.00 176.35 175.88 3cde s GLN 309 N -0.36 4.19 -1.24 1.70 -1.52 -1.26 -4.36 119.66 116.81 3cde s GLN 309 Ca 0.63 0.58 -0.18 0.00 -1.95 0.00 0.00 55.36 54.44 3cde s GLN 309 Cb -0.46 -3.59 0.01 0.00 -0.22 0.00 0.00 33.01 28.75 3cde s GLN 309 CO 0.46 -0.25 0.64 -3.47 -0.25 0.00 0.00 175.29 172.41 3cde n ASP 310 N 5.11 -3.51 -4.80 5.90 2.03 -1.26 -0.28 116.55 119.73 3cde n ASP 310 Ca -0.02 -1.10 -0.38 0.00 0.52 0.00 0.00 54.79 53.82 3cde n ASP 310 Cb 0.50 -2.80 -0.06 0.00 -0.72 0.00 0.00 41.12 38.04 3cde n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cde s THR 312 N -1.27 1.82 -0.01 0.00 2.01 0.19 -4.97 115.64 113.41 3cde s THR 312 Ca 0.36 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3cde s THR 312 Cb -0.20 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 3cde s THR 312 CO 0.22 0.51 0.04 -0.04 -0.69 0.00 0.00 174.62 174.66 3cde s MET 313 N 0.44 2.92 -0.15 4.92 -1.94 -1.26 -0.51 119.30 123.72 3cde s MET 313 Ca -0.18 -0.55 -0.01 0.00 -1.71 0.00 0.00 55.69 53.25 3cde s MET 313 Cb -0.17 -2.76 0.04 0.00 2.01 0.00 0.00 34.83 33.94 3cde s MET 313 CO 0.07 0.64 -0.04 -1.17 -0.01 0.00 0.00 175.02 174.51 3cde s LEU 314 N -1.63 1.37 -0.11 -0.03 2.96 0.28 -4.24 118.68 117.29 3cde s LEU 314 Ca 0.21 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3cde s LEU 314 Cb -0.12 -0.82 0.01 0.00 0.50 0.00 0.00 46.19 45.76 3cde s LEU 314 CO 0.12 -0.18 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.08 3cde s VAL 315 N 1.71 1.74 -0.37 1.68 1.01 0.11 -1.80 120.40 124.48 3cde s VAL 315 Ca 0.02 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3cde s VAL 315 Cb -0.14 -1.55 0.11 0.00 0.00 0.00 0.00 36.38 34.80 3cde s VAL 315 CO -0.08 0.49 0.14 0.20 0.00 0.00 0.00 175.10 175.85 3cde s ASN 316 N 0.70 4.12 1.76 3.32 -0.87 -0.22 -0.69 114.94 123.06 3cde s ASN 316 Ca -0.12 -2.15 0.00 0.00 -1.57 0.00 0.00 52.86 49.02 3cde s ASN 316 Cb -0.16 -1.16 0.00 0.00 -0.02 0.00 0.00 41.25 39.91 3cde s ASN 316 CO 0.02 -0.35 0.00 0.61 -2.57 0.00 0.00 177.10 174.81 3cde n GLY 317 N 4.19 3.92 0.07 0.66 0.00 -1.26 -0.81 105.19 111.96 3cde n GLY 317 Ca 0.03 0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.29 3cde n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cde n ASP 318 N 6.91 0.24 -4.66 1.61 5.75 -1.26 -3.71 116.55 121.44 3cde n ASP 318 Ca 0.00 -0.86 -0.40 0.00 -0.01 0.00 0.00 54.79 53.52 3cde n ASP 318 Cb 0.00 -0.06 -0.06 0.00 -1.03 0.00 0.00 41.12 39.97 3cde n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3cde s ASP 319 N -2.16 6.63 -0.08 -1.12 -1.08 0.01 -4.70 116.67 114.18 3cde s ASP 319 Ca 0.41 0.76 0.02 0.00 -0.52 0.00 0.00 52.55 53.22 3cde s ASP 319 Cb 0.21 -2.32 0.01 0.00 -1.46 0.00 0.00 42.92 39.36 3cde s ASP 319 CO 0.39 -0.23 -0.12 -0.22 0.52 0.00 0.00 175.17 175.51 3cde s LEU 320 N 1.78 1.62 0.01 -1.34 2.96 -1.26 -1.06 118.68 121.39 3cde s LEU 320 Ca 0.27 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 3cde s LEU 320 Cb -0.16 -0.87 -0.01 0.00 0.50 0.00 0.00 46.19 45.65 3cde s LEU 320 CO 0.10 0.02 -0.14 0.54 -1.32 0.00 0.00 176.35 175.55 3cde s VAL 321 N 0.80 1.10 -0.05 1.68 0.11 -0.74 -1.31 120.40 121.98 3cde s VAL 321 Ca -0.12 -0.75 0.03 0.00 -2.93 0.00 0.00 61.98 58.21 3cde s VAL 321 Cb -0.15 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 3cde s VAL 321 CO 0.02 0.19 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.15 3cde s VAL 322 N -0.53 1.23 -0.09 2.04 1.01 -0.34 -0.56 120.40 123.16 3cde s VAL 322 Ca 0.04 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3cde s VAL 322 Cb -0.06 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 3cde s VAL 322 CO 0.00 0.37 -0.21 -0.63 0.00 0.00 0.00 175.10 174.63 3cde s ILE 323 N 0.34 2.39 0.20 2.22 1.01 0.33 -1.26 121.20 126.43 3cde s ILE 323 Ca -0.09 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 59.64 3cde s ILE 323 Cb -0.13 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.41 3cde s ILE 323 CO 0.03 0.56 0.27 0.00 0.00 0.00 0.00 174.94 175.80 3cde s GLU 325 N -2.50 4.33 0.53 0.00 0.41 0.61 -1.14 118.70 120.94 3cde s GLU 325 Ca 0.18 0.96 -0.21 0.00 -0.41 0.00 0.00 54.97 55.49 3cde s GLU 325 Cb -0.00 -3.55 -0.05 0.00 -1.78 0.00 0.00 34.13 28.75 3cde s GLU 325 CO 0.13 -0.23 1.24 0.45 -0.49 0.00 0.00 175.26 176.35 3cde s SER 326 N 1.09 5.57 -0.11 -0.19 0.15 0.81 -4.49 113.70 116.53 3cde s SER 326 Ca 0.38 2.47 0.14 0.00 0.70 0.00 0.00 55.95 59.63 3cde s SER 326 Cb -0.17 -2.61 0.31 0.00 -1.71 0.00 0.00 66.02 61.85 3cde s SER 326 CO 0.14 -1.34 1.22 0.00 1.20 0.00 0.00 173.24 174.46 3cde n ALA 327 N -1.03 2.43 0.00 5.45 0.00 -1.26 -4.91 120.51 121.20 3cde n ALA 327 Ca 0.10 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.49 3cde n ALA 327 Cb 0.48 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3cde n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cde n GLY 328 N -0.73 0.93 0.33 0.00 0.00 -1.26 -4.45 105.19 100.00 3cde n GLY 328 Ca 0.14 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 3cde n GLY 328 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3cde h THR 329 N 0.00 1.22 -0.07 2.61 1.35 -1.98 0.11 112.91 116.14 3cde h THR 329 Ca 0.00 -0.64 -0.02 0.00 -0.55 0.00 0.00 66.41 65.21 3cde h THR 329 Cb 0.00 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 66.78 3cde h THR 329 CO 0.00 0.27 -0.02 -0.61 -0.25 0.00 0.00 175.52 174.91 3cde h GLN 330 N 0.97 0.14 -0.16 4.72 4.15 -2.00 -1.34 115.11 121.59 3cde h GLN 330 Ca 0.24 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.47 3cde h GLN 330 Cb 0.11 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 3cde h GLN 330 CO -0.03 0.46 -0.46 0.93 -1.93 0.00 0.00 178.83 177.80 3cde h GLU 331 N -0.19 0.39 -0.23 1.69 4.39 -1.74 -2.30 114.58 116.60 3cde h GLU 331 Ca 0.02 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 3cde h GLU 331 Cb 0.41 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3cde h GLU 331 CO 0.01 0.77 0.07 -0.44 -1.16 0.00 0.00 179.01 178.26 3cde h ASP 332 N 0.31 0.34 -0.62 1.42 3.32 -0.76 0.10 116.42 120.54 3cde h ASP 332 Ca 0.02 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.89 3cde h ASP 332 Cb 0.93 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 3cde h ASP 332 CO 0.08 0.46 0.38 0.00 -1.72 0.00 0.00 179.24 178.44 3cde h ALA 333 N 0.89 0.80 -0.47 3.45 0.00 -1.20 -1.03 119.26 121.71 3cde h ALA 333 Ca 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3cde h ALA 333 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3cde h ALA 333 CO -0.00 0.13 0.06 0.00 0.00 0.00 0.00 179.25 179.44 3cde h ALA 334 N 1.27 0.63 -0.53 0.00 0.00 -1.31 -2.14 119.26 117.17 3cde h ALA 334 Ca 0.25 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3cde h ALA 334 Cb 0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3cde h ALA 334 CO -0.10 0.37 0.22 0.77 0.00 0.00 0.00 179.25 180.52 3cde h SER 335 N 0.66 0.27 -0.19 0.00 0.02 -0.50 -2.27 113.55 111.54 3cde h SER 335 Ca 0.14 0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 3cde h SER 335 Cb 0.42 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 3cde h SER 335 CO 0.01 0.18 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.62 3cde h LEU 336 N 0.43 0.62 -0.75 5.07 3.38 -1.04 -0.75 115.31 122.27 3cde h LEU 336 Ca 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3cde h LEU 336 Cb 0.23 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3cde h LEU 336 CO -0.22 0.82 0.41 0.03 0.09 0.00 0.00 178.44 179.57 3cde h ARG 337 N 0.55 1.04 -0.29 1.13 3.08 -1.12 0.14 114.38 118.91 3cde h ARG 337 Ca 0.09 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3cde h ARG 337 Cb 0.65 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3cde h ARG 337 CO 0.05 0.77 -0.08 0.28 -1.07 0.00 0.00 179.97 179.92 3cde h VAL 338 N 1.03 1.28 -0.41 2.04 2.07 -1.16 0.70 116.25 121.81 3cde h VAL 338 Ca 0.26 -1.12 0.07 0.00 0.82 0.00 0.00 66.70 66.74 3cde h VAL 338 Cb 0.03 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 3cde h VAL 338 CO -0.04 0.36 0.02 0.15 0.02 0.00 0.00 177.57 178.07 3cde h PHE 339 N 0.33 0.01 -0.69 1.57 3.57 -0.94 0.64 116.94 121.43 3cde h PHE 339 Ca 0.07 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3cde h PHE 339 Cb 0.57 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 3cde h PHE 339 CO 0.05 -0.06 0.28 1.15 -2.23 0.00 0.00 178.31 177.50 3cde h THR 340 N 0.13 1.24 -0.44 4.41 2.02 -0.60 -0.54 112.91 119.13 3cde h THR 340 Ca 0.20 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.64 3cde h THR 340 Cb 0.28 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3cde h THR 340 CO -0.32 0.30 0.28 -0.33 0.37 0.00 0.00 175.52 175.83 3cde h GLU 341 N 0.97 0.56 0.07 6.66 5.08 -0.40 -0.20 114.58 127.32 3cde h GLU 341 Ca 0.23 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3cde h GLU 341 Cb 0.20 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3cde h GLU 341 CO -0.02 0.37 -0.03 0.00 -1.00 0.00 0.00 179.01 178.33 3cde h ALA 342 N 1.17 -0.09 -0.96 3.43 0.00 -0.57 -1.59 119.26 120.64 3cde h ALA 342 Ca 0.17 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.16 3cde h ALA 342 Cb -0.05 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 3cde h ALA 342 CO -0.05 -0.55 0.60 0.52 0.00 0.00 0.00 179.25 179.77 3cde h MET 343 N -0.11 0.95 -0.49 0.00 2.86 -1.00 -1.53 114.93 115.61 3cde h MET 343 Ca -0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3cde h MET 343 Cb 0.08 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3cde h MET 343 CO 0.02 0.63 0.21 1.15 1.06 0.00 0.00 176.91 179.98 3cde h THR 344 N 0.98 1.20 -0.51 2.22 2.02 -0.77 0.26 112.91 118.30 3cde h THR 344 Ca 0.46 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3cde h THR 344 Cb 0.41 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3cde h THR 344 CO -0.25 0.23 0.31 0.03 0.37 0.00 0.00 175.52 176.22 3cde h ARG 345 N 0.65 0.68 -0.03 6.66 3.08 -0.64 -1.09 114.38 123.69 3cde h ARG 345 Ca 0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3cde h ARG 345 Cb 0.16 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3cde h ARG 345 CO -0.02 0.47 0.00 0.66 -1.07 0.00 0.00 179.97 180.02 3cde n TYR 346 N -4.44 0.05 -2.87 3.04 4.01 -0.64 -0.83 117.16 115.48 3cde n TYR 346 Ca 0.05 -0.02 -0.11 0.00 -0.16 0.00 0.00 57.90 57.65 3cde n TYR 346 Cb 0.07 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.16 3cde n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3cde n SER 347 N -0.50 -3.79 -3.01 7.72 2.88 -0.41 -4.91 113.62 111.60 3cde n SER 347 Ca 0.07 -0.48 -0.16 0.00 -1.33 0.00 0.00 58.87 56.98 3cde n SER 347 Cb 0.07 -3.83 -0.00 0.00 -0.75 0.00 0.00 64.21 59.70 3cde n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cde n ALA 348 N -2.96 0.88 -1.61 -1.46 0.00 0.86 -4.57 120.51 111.64 3cde n ALA 348 Ca -0.12 -2.61 -0.34 0.00 0.00 0.00 0.00 53.44 50.37 3cde n ALA 348 Cb 0.60 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 19.06 3cde n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cde s PRO 349 N -0.87 2.99 0.47 0.00 0.04 -1.26 -3.96 135.00 132.41 3cde s PRO 349 Ca 0.33 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 62.67 3cde s PRO 349 Cb 0.26 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.74 3cde s PRO 349 CO -0.12 -1.11 0.98 -1.25 0.04 0.00 0.00 177.00 175.54 3cde s PRO 350 N -3.77 4.02 0.00 0.56 0.04 -1.26 -1.09 135.00 133.49 3cde s PRO 350 Ca 0.69 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3cde s PRO 350 Cb -0.22 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3cde s PRO 350 CO 0.36 -0.21 0.06 0.41 0.04 0.00 0.00 177.00 177.66 3cde n GLY 351 N -0.81 0.71 3.75 0.56 0.00 0.19 -4.29 105.19 105.30 3cde n GLY 351 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3cde n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cde s ASP 352 N -1.25 7.07 0.35 1.61 1.11 -1.26 -4.94 116.67 119.36 3cde s ASP 352 Ca 0.00 1.28 -0.28 0.00 0.18 0.00 0.00 52.55 53.73 3cde s ASP 352 Cb 0.00 -2.42 -0.12 0.00 1.07 0.00 0.00 42.92 41.46 3cde s ASP 352 CO 0.00 0.02 1.37 -0.81 1.18 0.00 0.00 175.17 176.93 3cde n PRO 353 N 2.98 2.33 -2.04 8.23 -0.04 -1.26 -4.46 135.00 140.74 3cde n PRO 353 Ca -0.04 0.82 -0.35 0.00 -0.04 0.00 0.00 63.50 63.88 3cde n PRO 353 Cb 0.51 -2.46 0.03 0.00 -0.04 0.00 0.00 33.50 31.54 3cde n PRO 353 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3cde s PRO 354 N -1.94 3.03 -0.02 0.54 0.04 -1.26 -5.01 135.00 130.38 3cde s PRO 354 Ca 0.55 1.75 0.03 0.00 0.04 0.00 0.00 61.00 63.37 3cde s PRO 354 Cb -0.53 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 3cde s PRO 354 CO 0.63 -1.14 -0.11 -0.65 0.04 0.00 0.00 177.00 175.76 3cde s GLN 355 N -3.38 1.02 0.32 4.56 -1.52 -1.26 -4.98 119.66 114.41 3cde s GLN 355 Ca 0.76 -0.40 -0.29 0.00 -1.95 0.00 0.00 55.36 53.48 3cde s GLN 355 Cb -0.28 -0.96 -0.10 0.00 -0.22 0.00 0.00 33.01 31.45 3cde s GLN 355 CO 0.32 0.22 1.24 -1.25 -0.25 0.00 0.00 175.29 175.57 3cde s PRO 356 N -0.13 4.41 0.03 2.91 0.04 -1.26 -4.58 135.00 136.42 3cde s PRO 356 Ca 0.02 2.07 0.07 0.00 0.04 0.00 0.00 61.00 63.20 3cde s PRO 356 Cb -0.06 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 3cde s PRO 356 CO -0.00 -0.09 -0.20 -1.21 0.04 0.00 0.00 177.00 175.54 3cde s GLU 357 N -1.74 1.44 0.00 4.56 0.41 0.65 -4.97 118.70 119.04 3cde s GLU 357 Ca 0.48 -0.87 0.02 0.00 -0.41 0.00 0.00 54.97 54.20 3cde s GLU 357 Cb -0.37 -1.50 0.03 0.00 -1.78 0.00 0.00 34.13 30.51 3cde s GLU 357 CO 0.49 0.39 0.71 0.66 -0.49 0.00 0.00 175.26 177.02 3cde n TYR 358 N 2.06 0.03 -4.03 1.61 4.01 -1.26 -1.48 117.16 118.10 3cde n TYR 358 Ca -0.17 -0.15 -0.31 0.00 -0.16 0.00 0.00 57.90 57.12 3cde n TYR 358 Cb 0.53 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.39 3cde n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3cde s ASP 359 N -0.42 3.61 0.36 7.72 2.15 -1.26 -4.99 116.67 123.84 3cde s ASP 359 Ca 0.03 -0.98 0.11 0.00 0.43 0.00 0.00 52.55 52.14 3cde s ASP 359 Cb 0.02 -1.34 0.88 0.00 -0.30 0.00 0.00 42.92 42.17 3cde s ASP 359 CO 0.03 -0.14 1.83 0.25 -0.17 0.00 0.00 175.17 176.97 3cde h LEU 360 N 7.92 0.62 -0.52 -1.34 5.85 -1.96 -0.70 115.31 125.18 3cde h LEU 360 Ca -0.28 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3cde h LEU 360 Cb 1.09 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3cde h LEU 360 CO 0.49 0.26 0.00 -0.62 -0.34 0.00 0.00 178.44 178.24 3cde n GLU 361 N -4.61 0.13 0.00 1.25 1.02 -1.26 -1.56 120.64 115.61 3cde n GLU 361 Ca 0.20 0.39 0.12 0.00 -0.02 0.00 0.00 57.16 57.85 3cde n GLU 361 Cb 0.59 -1.76 0.09 0.00 -0.02 0.00 0.00 31.44 30.34 3cde n GLU 361 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3cde n LEU 362 N -2.01 2.04 -4.65 -4.62 4.77 -0.27 -4.66 117.00 107.61 3cde n LEU 362 Ca 0.02 -0.72 -0.42 0.00 -0.03 0.00 0.00 56.01 54.86 3cde n LEU 362 Cb 0.19 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3cde n LEU 362 CO 0.17 0.37 0.68 -0.63 -1.33 0.00 0.00 177.39 176.65 3cde s ILE 363 N -2.37 4.82 -0.26 -0.08 1.01 -0.60 -5.03 121.20 118.70 3cde s ILE 363 Ca 0.22 1.64 -0.09 0.00 0.00 0.00 0.00 60.65 62.43 3cde s ILE 363 Cb 0.19 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3cde s ILE 363 CO 0.50 -0.08 0.11 -0.89 0.00 0.00 0.00 174.94 174.59 3cde s THR 364 N 2.81 4.71 -0.05 2.92 2.01 -1.26 -4.37 115.64 122.40 3cde s THR 364 Ca 0.37 -0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.30 3cde s THR 364 Cb -0.15 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.16 3cde s THR 364 CO 0.08 0.31 0.12 -0.94 -0.69 0.00 0.00 174.62 173.50 3cde s SER 365 N 1.59 -0.11 -1.45 3.53 1.04 0.06 -4.69 113.70 113.66 3cde s SER 365 Ca 0.06 0.25 -0.07 0.00 0.48 0.00 0.00 55.95 56.67 3cde s SER 365 Cb -0.15 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.22 3cde s SER 365 CO 0.06 -0.08 0.78 0.00 0.98 0.00 0.00 173.24 174.98 3cde n SER 367 N -2.92 -5.22 -4.39 0.00 7.64 -1.26 -4.92 113.62 102.54 3cde n SER 367 Ca -0.13 0.12 -0.20 0.00 1.01 0.00 0.00 58.87 59.67 3cde n SER 367 Cb 0.60 -3.48 -0.10 0.00 -1.01 0.00 0.00 64.21 60.21 3cde n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3cde s SER 368 N -1.99 2.59 0.03 6.43 0.01 -0.80 -4.46 113.70 115.51 3cde s SER 368 Ca 0.00 -1.15 -0.05 0.00 1.31 0.00 0.00 55.95 56.06 3cde s SER 368 Cb 0.00 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 3cde s SER 368 CO 0.00 -0.32 0.09 0.54 0.41 0.00 0.00 173.24 173.96 3cde s ASN 369 N -3.39 0.15 0.23 2.44 4.22 0.05 -0.76 114.94 117.88 3cde s ASN 369 Ca 0.27 -0.44 -0.30 0.00 -2.14 0.00 0.00 52.86 50.25 3cde s ASN 369 Cb 0.03 0.21 -0.09 0.00 1.28 0.00 0.00 41.25 42.68 3cde s ASN 369 CO 0.10 -0.45 1.19 -0.69 -2.04 0.00 0.00 177.10 175.22 3cde s VAL 370 N -2.15 3.40 0.33 3.54 1.01 -1.26 -1.24 120.40 124.03 3cde s VAL 370 Ca -0.09 1.26 0.07 0.00 0.00 0.00 0.00 61.98 63.22 3cde s VAL 370 Cb -0.04 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3cde s VAL 370 CO -0.02 0.24 0.26 -0.55 0.00 0.00 0.00 175.10 175.03 3cde s SER 371 N -0.23 1.72 -0.02 3.32 0.15 -0.17 -4.29 113.70 114.18 3cde s SER 371 Ca 0.50 -1.74 0.04 0.00 0.70 0.00 0.00 55.95 55.45 3cde s SER 371 Cb -0.34 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 3cde s SER 371 CO 0.40 -1.05 -0.14 0.54 1.20 0.00 0.00 173.24 174.20 3cde s VAL 372 N -3.45 1.13 0.00 4.45 0.11 -1.26 -1.77 120.40 119.60 3cde s VAL 372 Ca 0.39 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 3cde s VAL 372 Cb 0.02 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 3cde s VAL 372 CO 0.26 0.32 0.00 0.00 -3.33 0.00 0.00 175.10 172.35 3cde n ALA 373 N 2.86 0.00 -2.62 1.54 0.00 -0.75 -3.12 120.51 118.42 3cde n ALA 373 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 3cde n ALA 373 Cb 0.55 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.85 3cde n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3cde s HIS 374 N -1.68 1.12 0.52 0.00 3.76 0.61 -1.12 115.29 118.51 3cde s HIS 374 Ca 0.00 -0.24 -0.05 0.00 -0.15 0.00 0.00 55.06 54.61 3cde s HIS 374 Cb 0.00 -0.71 0.11 0.00 1.11 0.00 0.00 32.58 33.09 3cde s HIS 374 CO 0.00 -0.01 0.71 -0.40 -0.85 0.00 0.00 174.74 174.19 3cde n ASP 375 N 2.58 0.41 -0.24 1.40 3.85 -0.67 -0.58 116.55 123.29 3cde n ASP 375 Ca -0.15 -1.47 0.08 0.00 -0.71 0.00 0.00 54.79 52.54 3cde n ASP 375 Cb 0.55 -0.51 0.34 0.00 -1.35 0.00 0.00 41.12 40.15 3cde n ASP 375 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3cde h ALA 376 N -1.26 1.72 0.00 2.12 0.00 -1.91 -0.61 119.26 119.32 3cde h ALA 376 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3cde h ALA 376 Cb 0.73 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3cde h ALA 376 CO 0.20 0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.99 3cde n SER 377 N -4.52 0.47 0.00 0.00 7.64 -1.26 -4.87 113.62 111.09 3cde n SER 377 Ca 0.14 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.63 3cde n SER 377 Cb 0.32 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 3cde n SER 377 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cde n GLY 378 N 0.08 0.75 3.72 0.23 0.00 -0.24 -5.05 105.19 104.69 3cde n GLY 378 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3cde n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cde s LYS 379 N -0.51 4.52 0.21 1.61 2.20 -1.26 -4.76 119.74 121.74 3cde s LYS 379 Ca 0.00 1.17 -0.32 0.00 -0.36 0.00 0.00 55.97 56.46 3cde s LYS 379 Cb 0.00 -3.42 -0.13 0.00 -1.51 0.00 0.00 37.83 32.76 3cde s LYS 379 CO 0.00 0.09 1.56 0.54 -0.36 0.00 0.00 175.35 177.18 3cde n ARG 380 N 3.49 2.30 -4.21 4.03 1.74 -1.26 -1.67 116.66 121.08 3cde n ARG 380 Ca 0.01 0.82 -0.23 0.00 -0.77 0.00 0.00 57.85 57.68 3cde n ARG 380 Cb 0.51 -2.58 -0.17 0.00 -1.02 0.00 0.00 32.46 29.20 3cde n ARG 380 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3cde s VAL 381 N 0.57 0.84 0.27 1.55 0.11 -0.28 -4.90 120.40 118.56 3cde s VAL 381 Ca 0.73 -0.26 -0.21 0.00 -2.93 0.00 0.00 61.98 59.31 3cde s VAL 381 Cb -0.62 -0.84 -0.09 0.00 -1.53 0.00 0.00 36.38 33.31 3cde s VAL 381 CO 0.42 0.31 0.81 -0.31 -3.33 0.00 0.00 175.10 172.99 3cde s TYR 382 N 1.12 3.63 0.20 1.54 2.02 -1.26 -1.81 117.35 122.79 3cde s TYR 382 Ca -0.07 1.52 -0.15 0.00 -0.37 0.00 0.00 57.07 58.00 3cde s TYR 382 Cb -0.14 -2.72 0.01 0.00 -0.40 0.00 0.00 41.96 38.71 3cde s TYR 382 CO -0.01 0.26 0.46 1.52 -1.57 0.00 0.00 175.55 176.21 3cde s TYR 383 N -1.61 0.11 -0.17 2.71 1.13 -0.73 -4.99 117.35 113.80 3cde s TYR 383 Ca 0.47 -0.46 -0.09 0.00 -1.41 0.00 0.00 57.07 55.58 3cde s TYR 383 Cb -0.17 0.26 -0.05 0.00 -1.10 0.00 0.00 41.96 40.90 3cde s TYR 383 CO 0.21 -0.90 0.12 -1.17 -2.51 0.00 0.00 175.55 171.31 3cde s LEU 384 N -2.93 4.22 0.35 -3.49 2.96 -1.26 -1.00 118.68 117.53 3cde s LEU 384 Ca 0.14 0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.39 3cde s LEU 384 Cb -0.00 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 3cde s LEU 384 CO 0.01 0.26 0.19 0.28 -1.32 0.00 0.00 176.35 175.78 3cde s THR 385 N -0.15 0.28 0.20 3.68 -1.32 -0.37 -4.73 115.64 113.24 3cde s THR 385 Ca 0.10 -2.00 -0.15 0.00 -1.21 0.00 0.00 61.69 58.43 3cde s THR 385 Cb -0.11 -2.45 0.02 0.00 -1.51 0.00 0.00 72.50 68.44 3cde s THR 385 CO 0.00 0.00 0.48 0.00 -2.21 0.00 0.00 174.62 172.90 3cde s ARG 386 N -3.65 1.39 0.13 7.08 1.70 -1.26 -0.77 118.95 123.57 3cde s ARG 386 Ca 0.34 -0.99 -0.31 0.00 -0.47 0.00 0.00 55.73 54.29 3cde s ARG 386 Cb 0.03 0.49 -0.11 0.00 -0.57 0.00 0.00 34.95 34.79 3cde s ARG 386 CO 0.20 -0.58 1.83 -3.47 -1.08 0.00 0.00 175.30 172.20 3cde n ASP 387 N -0.33 4.05 -0.01 -2.89 -0.08 -1.26 -4.88 116.55 111.15 3cde n ASP 387 Ca -0.08 0.99 0.12 0.00 -1.51 0.00 0.00 54.79 54.32 3cde n ASP 387 Cb 0.62 -1.55 0.71 0.00 2.34 0.00 0.00 41.12 43.24 3cde n ASP 387 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3cde n PRO 388 N 5.48 1.01 0.27 -0.67 -0.04 -1.26 -4.36 135.00 135.43 3cde n PRO 388 Ca 0.18 -0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.46 3cde n PRO 388 Cb 0.37 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 3cde n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3cde h THR 389 N 0.03 0.35 -0.15 0.52 2.02 -1.96 -0.24 112.91 113.49 3cde h THR 389 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3cde h THR 389 Cb 0.01 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3cde h THR 389 CO 0.00 0.00 0.03 0.74 0.37 0.00 0.00 175.52 176.66 3cde h THR 390 N -0.75 1.21 -0.82 3.16 2.02 -1.95 -0.89 112.91 114.89 3cde h THR 390 Ca -0.05 -0.68 0.17 0.00 0.77 0.00 0.00 66.41 66.63 3cde h THR 390 Cb 0.63 1.37 -0.11 0.00 -1.74 0.00 0.00 68.15 68.31 3cde h THR 390 CO 0.03 0.20 0.34 -0.65 0.37 0.00 0.00 175.52 175.81 3cde h PRO 391 N 0.04 0.42 -0.23 6.66 0.11 -1.81 -0.65 132.00 136.54 3cde h PRO 391 Ca 0.05 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.93 3cde h PRO 391 Cb 0.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3cde h PRO 391 CO 0.00 0.28 -0.64 -0.07 -0.21 0.00 0.00 178.00 177.37 3cde h LEU 392 N 0.44 0.95 -0.47 2.35 3.38 -0.81 -0.36 115.31 120.78 3cde h LEU 392 Ca 0.47 -0.55 0.06 0.00 0.09 0.00 0.00 57.88 57.95 3cde h LEU 392 Cb 0.80 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3cde h LEU 392 CO -0.46 1.35 0.19 0.00 0.09 0.00 0.00 178.44 179.61 3cde h ALA 393 N 0.66 0.58 -0.33 1.53 0.00 -0.83 -0.14 119.26 120.73 3cde h ALA 393 Ca -0.01 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3cde h ALA 393 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3cde h ALA 393 CO 0.14 -0.19 -0.26 0.00 0.00 0.00 0.00 179.25 178.94 3cde h ARG 394 N 0.38 0.75 -0.91 0.00 3.08 -1.06 -2.48 114.38 114.14 3cde h ARG 394 Ca 0.22 -0.37 0.13 0.00 0.07 0.00 0.00 59.98 60.02 3cde h ARG 394 Cb 0.20 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 3cde h ARG 394 CO -0.20 0.99 0.58 0.00 -1.07 0.00 0.00 179.97 180.27 3cde h ALA 395 N 0.75 1.72 -0.45 0.04 0.00 -0.88 -0.28 119.26 120.15 3cde h ALA 395 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3cde h ALA 395 Cb 0.82 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3cde h ALA 395 CO 0.07 0.05 0.13 0.00 0.00 0.00 0.00 179.25 179.50 3cde h ALA 396 N 1.58 0.59 -0.52 0.00 0.00 -0.73 -0.18 119.26 120.00 3cde h ALA 396 Ca 0.45 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3cde h ALA 396 Cb 0.59 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3cde h ALA 396 CO -0.21 0.25 0.35 2.35 0.00 0.00 0.00 179.25 181.99 3cde h TRP 397 N 0.60 0.66 0.00 0.00 2.91 -0.96 -2.81 115.95 116.35 3cde h TRP 397 Ca 0.15 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 3cde h TRP 397 Cb 0.28 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 28.71 3cde h TRP 397 CO 0.01 0.41 -0.03 0.93 -1.03 0.00 0.00 178.44 178.74 3cde h GLU 398 N 0.71 0.00 -0.53 2.65 5.08 -0.76 -0.65 114.58 121.09 3cde h GLU 398 Ca 0.19 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3cde h GLU 398 Cb -0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3cde h GLU 398 CO -0.04 0.03 0.05 1.15 -1.00 0.00 0.00 179.01 179.20 3cde h THR 399 N 0.00 1.24 0.00 1.13 2.02 -0.76 -3.29 112.91 113.25 3cde h THR 399 Ca -0.00 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.23 3cde h THR 399 Cb 0.55 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3cde h THR 399 CO 0.00 0.34 -1.55 0.00 0.37 0.00 0.00 175.52 174.69 3cde n ALA 400 N -2.47 3.21 -2.88 6.16 0.00 -1.02 -4.89 120.51 118.61 3cde n ALA 400 Ca 0.03 -0.47 -0.19 0.00 0.00 0.00 0.00 53.44 52.82 3cde n ALA 400 Cb 0.28 -0.65 -0.15 0.00 0.00 0.00 0.00 19.45 18.93 3cde n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3cde s ARG 401 N -3.12 0.78 0.09 0.00 1.81 -0.28 -4.88 118.95 113.34 3cde s ARG 401 Ca -0.03 -0.28 -0.30 0.00 -1.72 0.00 0.00 55.73 53.40 3cde s ARG 401 Cb 0.13 -0.75 -0.06 0.00 -0.45 0.00 0.00 34.95 33.82 3cde s ARG 401 CO 0.77 0.14 1.19 -1.01 -0.68 0.00 0.00 175.30 175.71 3cde s HIS 402 N 0.02 3.45 0.12 -0.53 3.76 -1.26 -4.29 115.29 116.56 3cde s HIS 402 Ca -0.00 1.34 0.09 0.00 -0.15 0.00 0.00 55.06 56.34 3cde s HIS 402 Cb -0.06 -3.41 -0.04 0.00 1.11 0.00 0.00 32.58 30.18 3cde s HIS 402 CO -0.00 -1.23 -0.22 0.95 -0.85 0.00 0.00 174.74 173.39 3cde s THR 403 N 0.81 1.91 0.35 1.30 -4.23 -1.26 -5.05 115.64 109.48 3cde s THR 403 Ca 0.57 -1.68 0.03 0.00 -1.18 0.00 0.00 61.69 59.43 3cde s THR 403 Cb -0.30 -1.75 0.27 0.00 1.34 0.00 0.00 72.50 72.06 3cde s THR 403 CO 0.31 -0.05 2.00 1.55 -0.54 0.00 0.00 174.62 177.88 3cde h PRO 404 N 3.86 0.83 -5.23 3.99 0.13 -1.96 -3.41 132.00 130.21 3cde h PRO 404 Ca -0.47 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 63.94 3cde h PRO 404 Cb 1.18 -0.19 -0.31 0.00 0.13 0.00 0.00 31.00 31.81 3cde h PRO 404 CO 0.41 0.55 -0.83 0.08 -0.23 0.00 0.00 178.00 177.98 3cde s VAL 405 N -5.73 2.45 -0.75 1.56 1.01 -1.26 -4.54 120.40 113.14 3cde s VAL 405 Ca -0.10 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 3cde s VAL 405 Cb 0.18 -2.00 0.17 0.00 0.00 0.00 0.00 36.38 34.72 3cde s VAL 405 CO 0.77 0.53 0.76 0.20 0.00 0.00 0.00 175.10 177.36 3cde s ASN 406 N 0.69 6.53 0.30 3.32 0.01 0.56 -4.91 114.94 121.44 3cde s ASN 406 Ca -0.09 -2.19 0.00 0.00 -0.71 0.00 0.00 52.86 49.87 3cde s ASN 406 Cb -0.16 -2.26 0.48 0.00 0.41 0.00 0.00 41.25 39.73 3cde s ASN 406 CO 0.02 -0.80 1.89 0.77 -1.51 0.00 0.00 177.10 177.47 3cde h SER 407 N 8.41 0.76 -0.96 -1.22 4.64 -1.93 -2.21 113.55 121.03 3cde h SER 407 Ca -0.04 -0.09 0.12 0.00 -0.47 0.00 0.00 61.79 61.31 3cde h SER 407 Cb 1.06 -0.19 -0.08 0.00 -0.31 0.00 0.00 62.40 62.87 3cde h SER 407 CO 0.92 0.68 0.59 4.11 -0.87 0.00 0.00 176.83 182.26 3cde h TRP 408 N 0.83 1.07 -0.14 4.77 5.08 -1.91 0.22 115.95 125.88 3cde h TRP 408 Ca 0.20 0.03 -0.14 0.00 1.08 0.00 0.00 58.89 60.06 3cde h TRP 408 Cb 0.15 -0.34 0.00 0.00 -3.00 0.00 0.00 29.16 25.98 3cde h TRP 408 CO 0.01 0.42 -0.46 1.25 -1.28 0.00 0.00 178.44 178.38 3cde h LEU 409 N 0.94 0.65 -0.41 0.11 5.85 -1.80 -1.22 115.31 119.43 3cde h LEU 409 Ca 0.48 -0.60 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3cde h LEU 409 Cb 0.47 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3cde h LEU 409 CO -0.27 1.14 0.20 1.23 -0.34 0.00 0.00 178.44 180.40 3cde h GLY 410 N 0.19 0.55 1.30 3.75 0.00 -1.15 -1.97 103.07 105.74 3cde h GLY 410 Ca -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 3cde h GLY 410 CO 0.10 0.09 0.22 3.43 0.00 0.00 0.00 176.54 180.38 3cde h ASN 411 N 0.40 0.82 -0.68 0.19 2.35 -0.49 0.40 115.58 118.57 3cde h ASN 411 Ca 0.18 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 3cde h ASN 411 Cb 0.09 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3cde h ASN 411 CO -0.13 0.75 0.13 0.40 -1.65 0.00 0.00 177.43 176.94 3cde h ILE 412 N 0.88 1.26 0.12 2.81 2.04 -1.01 0.29 117.51 123.89 3cde h ILE 412 Ca 0.20 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 3cde h ILE 412 Cb 0.20 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3cde h ILE 412 CO -0.01 0.38 -0.06 0.40 0.00 0.00 0.00 178.15 178.86 3cde h ILE 413 N 1.05 1.04 -0.00 -0.67 2.04 -0.93 -0.98 117.51 119.06 3cde h ILE 413 Ca 0.21 -0.69 -0.18 0.00 1.00 0.00 0.00 64.86 65.20 3cde h ILE 413 Cb 0.41 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3cde h ILE 413 CO 0.01 0.16 -0.83 0.24 0.00 0.00 0.00 178.15 177.74 3cde h MET 414 N -0.49 0.11 -0.18 2.37 2.86 -0.90 -3.31 114.93 115.39 3cde h MET 414 Ca -0.02 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 3cde h MET 414 Cb 0.39 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 3cde h MET 414 CO 0.03 0.87 -0.20 0.66 1.06 0.00 0.00 176.91 179.32 3cde n TYR 415 N -3.64 0.57 -0.29 -0.22 4.01 0.10 -4.82 117.16 112.88 3cde n TYR 415 Ca -0.02 -1.42 0.11 0.00 -0.16 0.00 0.00 57.90 56.41 3cde n TYR 415 Cb 0.78 -0.35 0.26 0.00 -0.31 0.00 0.00 39.34 39.71 3cde n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cde h ALA 416 N 0.95 1.17 0.00 -0.72 0.00 -1.26 -0.83 119.26 118.57 3cde h ALA 416 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3cde h ALA 416 Cb 1.33 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3cde h ALA 416 CO 0.19 -0.43 0.00 -2.30 0.00 0.00 0.00 179.25 176.71 3cde n PRO 417 N -5.22 0.09 -2.37 0.00 -0.02 -1.26 -4.44 135.00 121.78 3cde n PRO 417 Ca 0.19 0.15 -0.33 0.00 -2.02 0.00 0.00 63.50 61.49 3cde n PRO 417 Cb 0.62 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.58 3cde n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3cde s THR 418 N -2.87 3.94 0.17 3.45 -4.23 -0.32 -4.92 115.64 110.87 3cde s THR 418 Ca 0.12 1.06 -0.14 0.00 -1.18 0.00 0.00 61.69 61.56 3cde s THR 418 Cb 0.13 -3.47 0.07 0.00 1.34 0.00 0.00 72.50 70.56 3cde s THR 418 CO 0.33 -0.40 1.84 0.25 -0.54 0.00 0.00 174.62 176.10 3cde h LEU 419 N 1.10 0.60 -0.29 4.79 5.85 -1.89 -2.54 115.31 122.93 3cde h LEU 419 Ca -0.48 -0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.02 3cde h LEU 419 Cb 1.21 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 3cde h LEU 419 CO 0.59 0.43 -0.85 4.11 -0.34 0.00 0.00 178.44 182.38 3cde h TRP 420 N 0.71 0.47 -0.23 1.25 5.08 -1.93 -2.07 115.95 119.23 3cde h TRP 420 Ca 0.20 -0.24 -0.18 0.00 1.08 0.00 0.00 58.89 59.74 3cde h TRP 420 Cb -0.07 -0.06 -0.00 0.00 -3.00 0.00 0.00 29.16 26.03 3cde h TRP 420 CO -0.04 1.03 -0.58 0.00 -1.28 0.00 0.00 178.44 177.57 3cde h ALA 421 N 0.89 0.54 0.02 0.11 0.00 -1.79 -2.14 119.26 116.89 3cde h ALA 421 Ca -0.05 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3cde h ALA 421 Cb 1.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3cde h ALA 421 CO 0.14 0.69 -0.01 0.00 0.00 0.00 0.00 179.25 180.07 3cde h ARG 422 N 0.55 -0.03 0.05 0.00 3.08 -1.48 -1.20 114.38 115.35 3cde h ARG 422 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.82 3cde h ARG 422 Cb 1.17 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3cde h ARG 422 CO 0.12 0.53 -1.05 0.52 -1.07 0.00 0.00 179.97 179.02 3cde h MET 423 N -0.61 0.31 0.00 0.04 2.86 -1.48 -3.34 114.93 112.71 3cde h MET 423 Ca -0.00 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3cde h MET 423 Cb 0.57 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.36 3cde h MET 423 CO 0.01 1.12 -0.78 -0.89 1.06 0.00 0.00 176.91 177.43 3cde n ILE 424 N -3.64 1.39 -0.01 -1.22 5.41 -0.82 -4.28 119.36 116.19 3cde n ILE 424 Ca -0.07 0.20 -0.12 0.00 1.00 0.00 0.00 62.75 63.77 3cde n ILE 424 Cb 0.91 -2.17 -0.06 0.00 -0.71 0.00 0.00 39.64 37.60 3cde n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3cde h LEU 425 N -0.78 0.12 0.25 1.39 3.38 -1.40 0.31 115.31 118.58 3cde h LEU 425 Ca 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3cde h LEU 425 Cb 0.78 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3cde h LEU 425 CO 0.00 0.23 -0.12 0.24 0.09 0.00 0.00 178.44 178.88 3cde h MET 426 N -0.00 -0.32 0.14 1.13 2.86 -1.35 -1.71 114.93 115.67 3cde h MET 426 Ca 0.03 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3cde h MET 426 Cb 0.15 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3cde h MET 426 CO -0.00 -0.21 -0.26 1.15 1.06 0.00 0.00 176.91 178.65 3cde h THR 427 N -0.34 0.44 0.35 2.22 2.02 -1.65 -0.22 112.91 115.72 3cde h THR 427 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3cde h THR 427 Cb 0.26 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3cde h THR 427 CO 0.06 0.00 -0.20 -0.74 0.37 0.00 0.00 175.52 175.00 3cde h HIS 428 N -0.47 -0.53 0.01 3.16 6.17 -0.92 -2.03 115.15 120.53 3cde h HIS 428 Ca 0.02 -0.01 -0.19 0.00 0.71 0.00 0.00 60.37 60.91 3cde h HIS 428 Cb 0.49 0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.59 3cde h HIS 428 CO -0.23 -0.32 -0.89 0.74 0.71 0.00 0.00 177.93 177.94 3cde h PHE 429 N -0.53 0.09 -0.25 5.26 0.04 -1.28 -2.34 116.94 117.93 3cde h PHE 429 Ca -0.04 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.61 3cde h PHE 429 Cb 0.43 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3cde h PHE 429 CO -0.08 0.91 -0.13 0.74 -0.60 0.00 0.00 178.31 179.15 3cde h PHE 430 N 0.03 0.45 -0.08 -0.55 0.04 -1.04 -0.56 116.94 115.22 3cde h PHE 430 Ca -0.02 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3cde h PHE 430 Cb 1.56 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 39.58 3cde h PHE 430 CO 0.01 0.54 0.05 1.03 -0.60 0.00 0.00 178.31 179.35 3cde h SER 431 N 0.39 0.10 -0.57 2.17 0.87 -1.09 -0.35 113.55 115.07 3cde h SER 431 Ca 0.07 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.64 3cde h SER 431 Cb 0.47 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 3cde h SER 431 CO 0.03 0.09 0.34 0.40 -0.53 0.00 0.00 176.83 177.16 3cde h ILE 432 N 0.09 1.05 -0.51 2.23 2.04 -1.12 -2.16 117.51 119.13 3cde h ILE 432 Ca 0.03 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 3cde h ILE 432 Cb 0.01 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3cde h ILE 432 CO -0.01 0.12 -0.06 -0.07 0.00 0.00 0.00 178.15 178.14 3cde h LEU 433 N 0.67 0.90 0.06 1.44 3.38 -0.88 -2.55 115.31 118.32 3cde h LEU 433 Ca 0.24 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3cde h LEU 433 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3cde h LEU 433 CO -0.11 0.99 -0.07 -0.07 0.09 0.00 0.00 178.44 179.27 3cde h LEU 434 N 0.83 -0.19 -1.48 1.67 3.38 -0.83 -0.28 115.31 118.41 3cde h LEU 434 Ca 0.14 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3cde h LEU 434 Cb 0.57 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3cde h LEU 434 CO 0.03 -0.11 0.16 0.00 0.09 0.00 0.00 178.44 178.62 3cde h ALA 435 N 0.78 1.60 0.00 1.53 0.00 -1.30 -1.89 119.26 119.99 3cde h ALA 435 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3cde h ALA 435 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3cde h ALA 435 CO -0.03 0.32 -0.44 1.04 0.00 0.00 0.00 179.25 180.14 3cde n GLN 436 N -4.41 0.01 -3.72 0.00 1.13 -0.97 -4.96 117.38 104.46 3cde n GLN 436 Ca 0.02 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.87 3cde n GLN 436 Cb 0.13 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.00 3cde n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3cde n GLU 437 N -1.51 -4.75 -0.21 -1.09 1.02 -0.24 -4.93 120.64 108.92 3cde n GLU 437 Ca 0.06 0.60 0.09 0.00 -0.02 0.00 0.00 57.16 57.89 3cde n GLU 437 Cb 0.34 -5.12 0.17 0.00 -0.02 0.00 0.00 31.44 26.80 3cde n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3cde n GLN 438 N -4.28 1.52 -0.04 3.49 6.02 -0.46 -4.74 117.38 118.90 3cde n GLN 438 Ca -0.30 -2.73 0.15 0.00 -0.01 0.00 0.00 57.00 54.10 3cde n GLN 438 Cb 0.68 -1.57 0.58 0.00 1.02 0.00 0.00 30.24 30.95 3cde n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3cde h LEU 439 N 0.37 0.22 0.00 1.08 3.38 -1.92 -2.01 115.31 116.43 3cde h LEU 439 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cde h LEU 439 Cb 1.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3cde h LEU 439 CO 0.04 0.13 -0.46 1.21 0.09 0.00 0.00 178.44 179.45 3cde n GLU 440 N -4.45 0.06 -2.56 1.13 2.13 -1.26 -3.71 120.64 111.98 3cde n GLU 440 Ca 0.09 0.02 -0.43 0.00 0.66 0.00 0.00 57.16 57.50 3cde n GLU 440 Cb 0.44 -1.54 -0.02 0.00 0.27 0.00 0.00 31.44 30.59 3cde n GLU 440 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3cde s LYS 441 N -3.03 4.22 0.28 5.31 2.20 -0.76 -4.90 119.74 123.06 3cde s LYS 441 Ca 0.10 1.46 -0.29 0.00 -0.36 0.00 0.00 55.97 56.88 3cde s LYS 441 Cb 0.17 -3.70 -0.10 0.00 -1.51 0.00 0.00 37.83 32.68 3cde s LYS 441 CO 0.68 -0.69 1.36 0.00 -0.36 0.00 0.00 175.35 176.34 3cde s ALA 442 N 3.39 3.55 0.07 3.13 0.00 -1.26 -4.51 121.76 126.14 3cde s ALA 442 Ca 0.49 1.27 0.08 0.00 0.00 0.00 0.00 51.96 53.80 3cde s ALA 442 Cb -0.17 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 3cde s ALA 442 CO 0.10 -0.67 -0.23 -0.51 0.00 0.00 0.00 175.76 174.46 3cde s LEU 443 N -1.03 2.23 0.04 0.00 1.43 0.17 -4.85 118.68 116.66 3cde s LEU 443 Ca 0.54 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.76 3cde s LEU 443 Cb -0.40 -1.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 3cde s LEU 443 CO 0.47 0.15 0.82 -1.81 0.23 0.00 0.00 176.35 176.21 3cde s ASP 444 N -1.53 7.25 0.21 2.29 1.01 -1.26 0.20 116.67 124.84 3cde s ASP 444 Ca 0.09 1.50 0.00 0.00 0.71 0.00 0.00 52.55 54.85 3cde s ASP 444 Cb -0.10 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 3cde s ASP 444 CO 0.03 -0.05 0.08 0.00 0.21 0.00 0.00 175.17 175.45 3cde s GLN 446 N -4.05 2.84 -0.08 0.00 -0.21 -1.26 0.02 119.66 116.92 3cde s GLN 446 Ca 0.34 -0.66 -0.01 0.00 0.02 0.00 0.00 55.36 55.05 3cde s GLN 446 Cb 0.07 -2.51 0.03 0.00 1.00 0.00 0.00 33.01 31.60 3cde s GLN 446 CO 0.10 0.50 -0.02 0.42 -2.12 0.00 0.00 175.29 174.17 3cde s ILE 447 N -0.39 0.53 -1.57 1.08 1.01 -0.28 -4.82 121.20 116.75 3cde s ILE 447 Ca 0.05 0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 3cde s ILE 447 Cb -0.12 -0.65 0.10 0.00 0.01 0.00 0.00 42.46 41.79 3cde s ILE 447 CO 0.02 0.28 0.80 -1.22 0.00 0.00 0.00 174.94 174.83 3cde n TYR 448 N 5.10 -1.95 0.00 3.97 4.01 -1.26 -2.29 117.16 124.74 3cde n TYR 448 Ca -0.08 0.84 0.00 0.00 -0.16 0.00 0.00 57.90 58.49 3cde n TYR 448 Cb 0.50 -3.54 0.00 0.00 -0.31 0.00 0.00 39.34 35.99 3cde n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3cde n GLY 449 N -1.61 2.95 3.84 2.72 0.00 -1.26 -0.62 105.19 111.22 3cde n GLY 449 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3cde n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cde s ALA 450 N -1.61 3.55 -0.05 4.61 0.00 -0.97 -4.51 121.76 122.78 3cde s ALA 450 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.70 3cde s ALA 450 Cb 0.00 -2.58 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 3cde s ALA 450 CO 0.00 0.43 0.54 0.00 0.00 0.00 0.00 175.76 176.73 3cde s TYR 452 N 0.06 1.57 -0.25 0.00 2.02 0.10 -0.69 117.35 120.16 3cde s TYR 452 Ca 0.29 -0.30 -0.17 0.00 -0.37 0.00 0.00 57.07 56.53 3cde s TYR 452 Cb -0.17 -1.01 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 3cde s TYR 452 CO 0.15 -0.03 0.46 0.45 -1.57 0.00 0.00 175.55 175.00 3cde s SER 453 N -0.40 6.39 -0.05 2.29 0.15 -1.26 -0.60 113.70 120.21 3cde s SER 453 Ca 0.07 0.46 0.05 0.00 0.70 0.00 0.00 55.95 57.22 3cde s SER 453 Cb -0.07 -2.25 -0.00 0.00 -1.71 0.00 0.00 66.02 61.99 3cde s SER 453 CO -0.01 -0.22 -0.19 -0.63 1.20 0.00 0.00 173.24 173.39 3cde s ILE 454 N 2.07 1.59 -0.30 6.45 -1.09 0.13 -4.89 121.20 125.16 3cde s ILE 454 Ca 0.19 -0.80 -0.21 0.00 -2.23 0.00 0.00 60.65 57.60 3cde s ILE 454 Cb -0.16 -1.37 -0.01 0.00 -1.58 0.00 0.00 42.46 39.35 3cde s ILE 454 CO 0.09 0.45 0.66 -1.61 -1.23 0.00 0.00 174.94 173.30 3cde s GLU 455 N 0.06 3.91 0.55 2.79 2.02 -1.26 0.41 118.70 127.18 3cde s GLU 455 Ca -0.06 0.35 0.28 0.00 0.02 0.00 0.00 54.97 55.56 3cde s GLU 455 Cb -0.13 -3.73 1.46 0.00 0.10 0.00 0.00 34.13 31.84 3cde s GLU 455 CO 0.03 -0.59 1.96 -1.35 0.02 0.00 0.00 175.26 175.34 3cde h PRO 456 N 8.17 0.00 0.00 0.39 0.11 -1.79 0.65 132.00 139.53 3cde h PRO 456 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3cde h PRO 456 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3cde h PRO 456 CO 0.81 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.53 3cde h LEU 457 N 0.00 0.00 -0.30 2.35 3.38 -1.93 -2.14 115.31 116.67 3cde h LEU 457 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3cde h LEU 457 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3cde h LEU 457 CO -0.00 0.00 -0.19 0.47 0.09 0.00 0.00 178.44 178.81 3cde n ASP 458 N -2.54 0.66 -0.22 -0.43 10.43 0.22 -4.45 116.55 120.22 3cde n ASP 458 Ca 0.00 -0.62 0.02 0.00 2.57 0.00 0.00 54.79 56.77 3cde n ASP 458 Cb 0.19 0.01 0.13 0.00 1.84 0.00 0.00 41.12 43.29 3cde n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3cde h LEU 459 N 0.74 -0.04 -0.83 0.64 3.38 -1.49 -0.07 115.31 117.64 3cde h LEU 459 Ca 0.00 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3cde h LEU 459 Cb 0.43 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 3cde h LEU 459 CO 0.00 -0.03 0.53 -0.65 0.09 0.00 0.00 178.44 178.38 3cde h PRO 460 N 0.24 1.00 -0.36 1.13 0.11 -1.83 0.16 132.00 132.44 3cde h PRO 460 Ca 0.35 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.32 3cde h PRO 460 Cb 0.56 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 3cde h PRO 460 CO -0.46 0.66 -0.07 1.96 -0.21 0.00 0.00 178.00 179.88 3cde h GLN 461 N 1.03 0.68 -0.09 1.05 7.50 -1.68 -0.58 115.11 123.03 3cde h GLN 461 Ca 0.33 -0.25 0.02 0.00 0.50 0.00 0.00 58.65 59.25 3cde h GLN 461 Cb 0.02 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.48 3cde h GLN 461 CO -0.12 0.83 -0.07 0.82 -1.50 0.00 0.00 178.83 178.80 3cde h ILE 462 N 0.48 0.80 -0.31 2.54 2.04 -0.70 -1.29 117.51 121.08 3cde h ILE 462 Ca 0.09 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 3cde h ILE 462 Cb 0.57 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3cde h ILE 462 CO 0.03 0.00 0.09 0.40 0.00 0.00 0.00 178.15 178.67 3cde h ILE 463 N -0.07 1.21 -0.49 -0.67 2.04 -0.62 -0.58 117.51 118.32 3cde h ILE 463 Ca 0.06 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.30 3cde h ILE 463 Cb 0.16 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 3cde h ILE 463 CO -0.13 0.23 0.20 -0.08 0.00 0.00 0.00 178.15 178.36 3cde h GLU 464 N 0.34 0.38 -0.35 2.37 4.81 -1.03 0.17 114.58 121.28 3cde h GLU 464 Ca 0.10 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3cde h GLU 464 Cb 0.26 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3cde h GLU 464 CO -0.00 0.25 0.09 0.00 -0.73 0.00 0.00 179.01 178.62 3cde h ARG 465 N 0.39 0.56 0.18 1.92 2.47 -0.97 0.20 114.38 119.14 3cde h ARG 465 Ca 0.23 -0.13 -0.31 0.00 -1.26 0.00 0.00 59.98 58.50 3cde h ARG 465 Cb 0.21 -0.08 0.03 0.00 -1.65 0.00 0.00 29.97 28.48 3cde h ARG 465 CO -0.21 0.61 -1.35 -0.07 0.56 0.00 0.00 179.97 179.51 3cde h LEU 466 N 0.42 0.80 0.00 3.04 3.38 -0.95 -3.40 115.31 118.61 3cde h LEU 466 Ca 0.11 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.28 3cde h LEU 466 Cb 0.29 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3cde h LEU 466 CO 0.00 1.62 -1.22 1.41 0.09 0.00 0.00 178.44 180.34 3cde n HIS 467 N -3.72 0.00 0.00 1.13 8.25 0.59 -4.63 115.22 116.84 3cde n HIS 467 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3cde n HIS 467 Cb 1.04 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 32.03 3cde n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cde n GLY 468 N 2.14 -0.97 0.30 -1.41 0.00 0.70 -4.53 105.19 101.42 3cde n GLY 468 Ca -0.01 -1.63 0.20 0.00 0.00 0.00 0.00 46.02 44.58 3cde n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cde h LEU 469 N 0.00 0.00 -2.01 0.99 3.38 -1.87 -2.49 115.31 113.31 3cde h LEU 469 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3cde h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3cde h LEU 469 CO 0.00 0.00 -0.08 0.77 0.09 0.00 0.00 178.44 179.22 3cde h SER 470 N 0.00 0.00 -0.23 -0.43 4.64 -1.96 -2.07 113.55 113.50 3cde h SER 470 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 3cde h SER 470 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3cde h SER 470 CO 0.00 0.08 0.17 0.00 -0.87 0.00 0.00 176.83 176.21 3cde h ALA 471 N 1.92 2.16 -0.01 5.18 0.00 -1.68 0.12 119.26 126.96 3cde h ALA 471 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3cde h ALA 471 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3cde h ALA 471 CO 0.01 -0.29 -0.01 1.19 0.00 0.00 0.00 179.25 180.15 3cde n PHE 472 N -4.36 0.00 -0.59 0.00 3.72 -0.78 -4.20 117.46 111.24 3cde n PHE 472 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3cde n PHE 472 Cb 0.32 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 3cde n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3cde n SER 473 N -0.48 0.40 -4.74 4.37 7.64 0.31 -4.45 113.62 116.67 3cde n SER 473 Ca 0.21 -0.99 -0.40 0.00 1.01 0.00 0.00 58.87 58.69 3cde n SER 473 Cb 0.23 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.45 3cde n SER 473 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3cde n LEU 474 N -0.00 4.75 -3.87 -3.43 4.77 -0.56 -4.03 117.00 114.63 3cde n LEU 474 Ca 0.00 1.12 -0.08 0.00 -0.03 0.00 0.00 56.01 57.02 3cde n LEU 474 Cb 0.15 -1.57 -0.01 0.00 -2.33 0.00 0.00 43.42 39.65 3cde n LEU 474 CO 0.00 -0.30 0.44 -1.38 -1.33 0.00 0.00 177.39 174.81 3cde s HIS 475 N -1.19 0.01 -1.10 -1.77 -3.43 0.26 -4.94 115.29 103.11 3cde s HIS 475 Ca 0.61 -0.50 -0.06 0.00 -0.80 0.00 0.00 55.06 54.31 3cde s HIS 475 Cb -0.47 0.65 -0.05 0.00 -1.43 0.00 0.00 32.58 31.28 3cde s HIS 475 CO 0.58 -1.29 0.91 0.43 -2.00 0.00 0.00 174.74 173.37 3cde n SER 476 N -0.73 -5.22 -4.70 7.38 7.64 -1.26 -0.28 113.62 116.45 3cde n SER 476 Ca -0.05 -0.72 -0.30 0.00 1.01 0.00 0.00 58.87 58.81 3cde n SER 476 Cb 0.60 -4.97 0.14 0.00 -1.01 0.00 0.00 64.21 58.96 3cde n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3cde s TYR 477 N -3.41 2.20 0.52 1.43 2.02 -1.26 -4.15 117.35 114.70 3cde s TYR 477 Ca 0.33 1.39 -0.19 0.00 -0.37 0.00 0.00 57.07 58.24 3cde s TYR 477 Cb -0.05 -3.15 -0.07 0.00 -0.40 0.00 0.00 41.96 38.28 3cde s TYR 477 CO 0.75 -2.43 1.04 -1.54 -1.57 0.00 0.00 175.55 171.80 3cde s SER 478 N -3.24 6.19 0.33 2.29 1.04 -1.18 -4.85 113.70 114.27 3cde s SER 478 Ca 0.64 1.90 0.03 0.00 0.48 0.00 0.00 55.95 59.00 3cde s SER 478 Cb -0.19 -2.55 0.64 0.00 0.10 0.00 0.00 66.02 64.02 3cde s SER 478 CO 0.57 -0.89 1.92 -0.65 0.98 0.00 0.00 173.24 175.18 3cde h PRO 479 N 1.24 0.87 -0.66 4.02 0.11 -1.94 -0.80 132.00 134.84 3cde h PRO 479 Ca -0.49 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 3cde h PRO 479 Cb 1.22 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3cde h PRO 479 CO 0.59 0.57 0.09 0.78 -0.21 0.00 0.00 178.00 179.82 3cde h GLY 480 N 0.89 1.19 0.47 -0.55 0.00 -1.99 -1.56 103.07 101.53 3cde h GLY 480 Ca 0.37 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3cde h GLY 480 CO -0.14 0.74 -0.04 -2.09 0.00 0.00 0.00 176.54 175.02 3cde h GLU 481 N 1.03 -0.10 -0.46 4.80 4.57 -1.76 -1.89 114.58 120.77 3cde h GLU 481 Ca 0.20 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.46 3cde h GLU 481 Cb 0.46 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 3cde h GLU 481 CO 0.02 0.39 0.11 0.82 -1.18 0.00 0.00 179.01 179.16 3cde h ILE 482 N -0.64 0.77 -0.78 2.32 2.04 -1.22 -0.46 117.51 119.54 3cde h ILE 482 Ca -0.01 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.77 3cde h ILE 482 Cb 0.53 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3cde h ILE 482 CO 0.02 0.05 0.52 0.78 0.00 0.00 0.00 178.15 179.51 3cde h ASN 483 N 0.25 0.90 -0.28 1.72 2.35 -1.32 -0.10 115.58 119.08 3cde h ASN 483 Ca 0.23 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 3cde h ASN 483 Cb 0.28 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3cde h ASN 483 CO -0.28 0.65 -0.25 -0.09 -1.65 0.00 0.00 177.43 175.81 3cde h ARG 484 N 1.06 0.67 0.12 0.81 2.43 -0.59 -0.90 114.38 117.98 3cde h ARG 484 Ca 0.29 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3cde h ARG 484 Cb -0.11 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3cde h ARG 484 CO -0.06 0.95 -0.06 0.28 -1.51 0.00 0.00 179.97 179.56 3cde h VAL 485 N 0.41 0.92 -0.42 0.20 2.07 -0.87 -1.81 116.25 116.75 3cde h VAL 485 Ca 0.05 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3cde h VAL 485 Cb 0.81 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 3cde h VAL 485 CO 0.06 0.04 0.20 0.00 0.02 0.00 0.00 177.57 177.90 3cde h ALA 486 N 0.63 0.52 -0.97 1.67 0.00 -1.02 -1.57 119.26 118.52 3cde h ALA 486 Ca -0.02 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3cde h ALA 486 Cb 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3cde h ALA 486 CO 0.03 -0.16 0.64 1.03 0.00 0.00 0.00 179.25 180.79 3cde h SER 487 N 0.41 1.06 -0.64 0.00 0.87 -1.13 -2.01 113.55 112.12 3cde h SER 487 Ca 0.18 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3cde h SER 487 Cb 0.10 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 3cde h SER 487 CO -0.13 0.73 0.28 0.00 -0.53 0.00 0.00 176.83 177.17 3cde h LEU 489 N 0.89 1.09 -0.94 0.00 3.38 -0.87 -1.79 115.31 117.07 3cde h LEU 489 Ca 0.21 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3cde h LEU 489 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3cde h LEU 489 CO -0.02 1.01 0.32 0.03 0.09 0.00 0.00 178.44 179.87 3cde h ARG 490 N 1.10 1.09 -0.32 1.13 3.08 -1.27 0.13 114.38 119.31 3cde h ARG 490 Ca 0.24 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 3cde h ARG 490 Cb 0.33 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3cde h ARG 490 CO -0.00 0.87 -0.08 -0.22 -1.07 0.00 0.00 179.97 179.46 3cde h LYS 491 N 1.07 0.62 0.00 0.04 3.64 -0.99 -3.20 116.57 117.75 3cde h LYS 491 Ca 0.25 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3cde h LYS 491 Cb 0.17 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3cde h LYS 491 CO -0.03 0.80 -0.53 1.28 -2.27 0.00 0.00 179.45 178.70 3cde n LEU 492 N -4.45 0.52 -1.93 5.20 4.77 -0.71 -4.89 117.00 115.51 3cde n LEU 492 Ca -0.03 0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 3cde n LEU 492 Cb 0.33 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3cde n LEU 492 CO 0.41 0.11 0.11 0.61 -1.33 0.00 0.00 177.39 177.30 3cde n GLY 493 N 1.48 0.25 3.77 -0.72 0.00 0.23 -1.81 105.19 108.39 3cde n GLY 493 Ca 0.05 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 3cde n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cde s VAL 494 N -3.14 4.60 0.59 1.61 1.01 0.10 -1.53 120.40 123.65 3cde s VAL 494 Ca 0.27 1.56 -0.18 0.00 0.00 0.00 0.00 61.98 63.62 3cde s VAL 494 Cb -0.12 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 3cde s VAL 494 CO 0.34 0.46 0.85 -2.65 0.00 0.00 0.00 175.10 174.10 3cde n PRO 495 N 2.13 0.79 -1.02 2.72 -0.02 -1.26 -4.60 135.00 133.74 3cde n PRO 495 Ca -0.05 0.31 -0.31 0.00 -2.02 0.00 0.00 63.50 61.42 3cde n PRO 495 Cb 0.50 -2.04 0.12 0.00 -0.02 0.00 0.00 33.50 32.06 3cde n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3cde s PRO 496 N -2.58 1.73 0.63 0.52 0.04 -1.26 -4.84 135.00 129.24 3cde s PRO 496 Ca 0.74 1.34 0.38 0.00 0.04 0.00 0.00 61.00 63.49 3cde s PRO 496 Cb -0.42 -1.82 2.15 0.00 0.04 0.00 0.00 34.50 34.44 3cde s PRO 496 CO 0.49 -2.07 2.32 -0.07 0.04 0.00 0.00 177.00 177.71 3cde h LEU 497 N -1.44 0.00 -0.96 -3.56 3.38 -2.00 -0.58 115.31 110.16 3cde h LEU 497 Ca -0.43 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 3cde h LEU 497 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 3cde h LEU 497 CO 0.47 0.00 -0.17 0.08 0.09 0.00 0.00 178.44 178.91 3cde h ARG 498 N 0.00 0.56 -0.38 1.13 0.11 -2.00 -1.04 114.38 112.77 3cde h ARG 498 Ca -0.00 -0.19 -0.06 0.00 0.10 0.00 0.00 59.98 59.83 3cde h ARG 498 Cb 0.01 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.03 3cde h ARG 498 CO 0.00 0.71 -0.01 0.28 0.10 0.00 0.00 179.97 181.05 3cde h VAL 499 N 0.50 1.26 -0.74 0.08 2.07 -1.44 -2.35 116.25 115.63 3cde h VAL 499 Ca 0.08 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 3cde h VAL 499 Cb 0.59 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3cde h VAL 499 CO 0.04 0.34 0.25 -0.50 0.02 0.00 0.00 177.57 177.72 3cde h TRP 500 N 0.49 1.15 -0.59 1.57 4.06 -1.43 0.61 115.95 121.81 3cde h TRP 500 Ca 0.11 -0.10 0.03 0.00 2.06 0.00 0.00 58.89 60.98 3cde h TRP 500 Cb 0.48 -0.34 -0.04 0.00 -1.00 0.00 0.00 29.16 28.26 3cde h TRP 500 CO 0.04 0.90 0.36 -0.09 -3.56 0.00 0.00 178.44 176.09 3cde h ARG 501 N 1.09 0.70 0.60 0.49 2.43 -1.16 0.14 114.38 118.66 3cde h ARG 501 Ca 0.24 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3cde h ARG 501 Cb 0.27 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3cde h ARG 501 CO -0.01 0.46 -0.29 1.25 -1.51 0.00 0.00 179.97 179.87 3cde h HIS 502 N 0.72 -0.74 -0.98 2.20 2.76 -0.84 -2.40 115.15 115.86 3cde h HIS 502 Ca 0.24 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.55 3cde h HIS 502 Cb 0.01 0.25 -0.09 0.00 1.55 0.00 0.00 27.41 29.13 3cde h HIS 502 CO -0.05 -0.44 0.61 0.00 -1.30 0.00 0.00 177.93 176.75 3cde h ARG 503 N -0.87 0.79 -0.32 5.26 3.08 -0.83 -2.07 114.38 119.42 3cde h ARG 503 Ca -0.08 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 3cde h ARG 503 Cb 0.64 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3cde h ARG 503 CO 0.13 0.52 -0.06 0.00 -1.07 0.00 0.00 179.97 179.50 3cde h ALA 504 N 1.60 1.31 -0.58 0.04 0.00 -0.47 -0.93 119.26 120.21 3cde h ALA 504 Ca 0.52 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3cde h ALA 504 Cb 0.74 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3cde h ALA 504 CO -0.30 0.47 0.38 0.00 0.00 0.00 0.00 179.25 179.80 3cde h ARG 505 N 0.49 0.78 0.01 0.00 3.08 -0.87 0.26 114.38 118.12 3cde h ARG 505 Ca 0.10 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3cde h ARG 505 Cb 0.41 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3cde h ARG 505 CO 0.02 0.53 -0.00 1.03 -1.07 0.00 0.00 179.97 180.47 3cde h SER 506 N 0.79 -0.01 -0.48 7.04 0.87 -1.43 -2.19 113.55 118.15 3cde h SER 506 Ca 0.21 -0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3cde h SER 506 Cb -0.07 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 3cde h SER 506 CO -0.04 0.12 0.25 0.58 -0.53 0.00 0.00 176.83 177.20 3cde h VAL 507 N -0.13 0.97 -0.46 2.23 2.07 -0.80 -1.24 116.25 118.89 3cde h VAL 507 Ca -0.00 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3cde h VAL 507 Cb 0.13 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3cde h VAL 507 CO 0.00 0.09 0.23 -0.09 0.02 0.00 0.00 177.57 177.82 3cde h ARG 508 N 0.49 0.44 -0.46 1.57 2.43 -0.48 -1.17 114.38 117.19 3cde h ARG 508 Ca 0.21 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 3cde h ARG 508 Cb 0.10 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3cde h ARG 508 CO -0.14 0.29 -0.01 0.00 -1.51 0.00 0.00 179.97 178.60 3cde h ALA 509 N 1.25 0.62 -0.56 2.80 0.00 -1.00 -0.27 119.26 122.10 3cde h ALA 509 Ca 0.20 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3cde h ALA 509 Cb 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3cde h ALA 509 CO -0.14 0.42 0.37 0.00 0.00 0.00 0.00 179.25 179.90 3cde h ARG 510 N 0.66 0.74 -0.14 0.00 3.08 -1.08 -0.65 114.38 116.99 3cde h ARG 510 Ca 0.13 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3cde h ARG 510 Cb 0.51 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3cde h ARG 510 CO 0.03 0.49 0.07 -0.07 -1.07 0.00 0.00 179.97 179.41 3cde h LEU 511 N 0.76 0.19 -0.95 3.04 3.38 -0.97 -3.00 115.31 117.76 3cde h LEU 511 Ca 0.21 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3cde h LEU 511 Cb -0.09 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3cde h LEU 511 CO -0.04 0.26 0.61 -0.07 0.09 0.00 0.00 178.44 179.28 3cde h LEU 512 N 0.10 0.98 -2.51 1.67 3.38 -0.83 -2.24 115.31 115.85 3cde h LEU 512 Ca 0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3cde h LEU 512 Cb 0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3cde h LEU 512 CO -0.01 0.62 -0.02 0.28 0.09 0.00 0.00 178.44 179.41 3cde h SER 513 N 1.11 0.00 0.64 -0.43 0.02 -0.98 -2.25 113.55 111.67 3cde h SER 513 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3cde h SER 513 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3cde h SER 513 CO -0.17 0.02 -0.62 0.00 -1.14 0.00 0.00 176.83 174.92 3cde n GLN 514 N -3.38 0.16 0.00 3.45 6.02 -0.87 -5.06 117.38 117.70 3cde n GLN 514 Ca -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3cde n GLN 514 Cb 0.13 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 29.80 3cde n GLN 514 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cde n GLY 515 N 1.42 -1.05 7.00 1.08 0.00 -0.85 -4.82 105.19 107.98 3cde n GLY 515 Ca 0.04 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3cde n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cde n GLY 516 N 0.00 2.03 0.32 -0.02 0.00 -1.26 -1.96 105.19 104.30 3cde n GLY 516 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.56 3cde n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3cde h ARG 517 N 0.00 0.74 -0.22 1.61 3.08 -1.93 -2.63 114.38 115.04 3cde h ARG 517 Ca 0.00 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3cde h ARG 517 Cb 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3cde h ARG 517 CO 0.00 0.54 0.06 0.00 -1.07 0.00 0.00 179.97 179.50 3cde h ALA 518 N 1.58 0.23 -0.65 0.04 0.00 -1.81 -0.91 119.26 117.74 3cde h ALA 518 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3cde h ALA 518 Cb 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3cde h ALA 518 CO -0.03 -0.36 0.41 0.00 0.00 0.00 0.00 179.25 179.26 3cde h ALA 519 N 1.14 1.49 -0.79 0.00 0.00 -1.07 -0.82 119.26 119.21 3cde h ALA 519 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3cde h ALA 519 Cb 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3cde h ALA 519 CO -0.11 0.46 0.31 1.15 0.00 0.00 0.00 179.25 181.05 3cde h THR 520 N 0.89 1.26 -0.29 0.00 2.02 -1.08 0.35 112.91 116.07 3cde h THR 520 Ca 0.24 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 3cde h THR 520 Cb -0.06 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3cde h THR 520 CO -0.05 0.34 0.17 0.00 0.37 0.00 0.00 175.52 176.36 3cde h GLY 522 N 0.37 0.61 0.89 0.00 0.00 -0.81 -1.13 103.07 102.99 3cde h GLY 522 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3cde h GLY 522 CO -0.02 0.11 0.06 1.70 0.00 0.00 0.00 176.54 178.39 3cde h LYS 523 N 0.45 0.48 0.00 4.80 3.64 -0.72 -3.06 116.57 122.15 3cde h LYS 523 Ca 0.19 -0.12 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 3cde h LYS 523 Cb 0.09 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 3cde h LYS 523 CO -0.13 0.57 -1.32 0.66 -2.27 0.00 0.00 179.45 176.95 3cde n TYR 524 N -4.66 0.99 0.23 1.91 4.01 -0.61 -3.26 117.16 115.77 3cde n TYR 524 Ca -0.02 0.42 0.07 0.00 -0.16 0.00 0.00 57.90 58.21 3cde n TYR 524 Cb 0.20 -1.10 0.53 0.00 -0.31 0.00 0.00 39.34 38.66 3cde n TYR 524 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3cde h LEU 525 N -0.97 0.00 -2.91 7.72 3.38 -1.38 -3.25 115.31 117.91 3cde h LEU 525 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3cde h LEU 525 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3cde h LEU 525 CO -0.21 0.23 -0.02 0.49 0.09 0.00 0.00 178.44 179.02 3cde n PHE 526 N -3.91 0.00 0.28 1.13 3.72 -1.16 -4.66 117.46 112.87 3cde n PHE 526 Ca -0.02 -0.72 0.13 0.00 -0.05 0.00 0.00 57.45 56.79 3cde n PHE 526 Cb 0.31 -0.10 0.82 0.00 -0.94 0.00 0.00 39.48 39.58 3cde n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3cde h ASN 527 N 0.00 0.00 0.03 4.37 -1.24 -1.58 -0.94 115.58 116.21 3cde h ASN 527 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 3cde h ASN 527 Cb 0.80 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.85 3cde h ASN 527 CO 0.00 0.00 -0.02 4.11 -1.29 0.00 0.00 177.43 180.23 3cde h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.83 -3.20 115.95 116.67 3cde h TRP 528 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3cde h TRP 528 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3cde h TRP 528 CO 0.00 0.02 0.00 0.00 -1.28 0.00 0.00 178.44 177.18 3cde h ALA 529 N 1.98 1.00 -3.04 0.11 0.00 -1.53 -3.45 119.26 114.33 3cde h ALA 529 Ca -0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3cde h ALA 529 Cb 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 3cde h ALA 529 CO 0.00 0.00 -0.56 0.14 0.00 0.00 0.00 179.25 178.83 3cde s VAL 530 N -3.25 4.84 0.10 0.00 -7.23 -1.21 -4.79 120.40 108.85 3cde s VAL 530 Ca 0.07 -0.23 -0.25 0.00 -1.81 0.00 0.00 61.98 59.76 3cde s VAL 530 Cb 0.07 -3.16 -0.13 0.00 0.56 0.00 0.00 36.38 33.73 3cde s VAL 530 CO 0.63 0.46 1.70 0.11 -0.31 0.00 0.00 175.10 177.69 3cde h LYS 531 N 4.50 -0.23 -4.52 4.82 1.57 -1.90 -3.38 116.57 117.43 3cde h LYS 531 Ca -0.51 0.02 -0.71 0.00 -1.87 0.00 0.00 60.65 57.57 3cde h LYS 531 Cb 1.19 0.05 -0.25 0.00 0.08 0.00 0.00 32.23 33.31 3cde h LYS 531 CO 0.60 -0.16 -0.48 -0.08 -0.57 0.00 0.00 179.45 178.77 3cde s THR 532 N -6.15 4.66 0.82 -0.16 -1.32 -1.26 -5.07 115.64 107.15 3cde s THR 532 Ca -0.14 -0.97 -0.12 0.00 -1.21 0.00 0.00 61.69 59.25 3cde s THR 532 Cb 0.07 -3.67 0.08 0.00 -1.51 0.00 0.00 72.50 67.47 3cde s THR 532 CO 0.66 -0.34 1.13 -0.54 -2.21 0.00 0.00 174.62 173.32 3cde s LYS 533 N 1.55 1.92 0.08 7.08 1.02 -1.26 -5.08 119.74 125.05 3cde s LYS 533 Ca 0.03 0.34 0.02 0.00 0.02 0.00 0.00 55.97 56.38 3cde s LYS 533 Cb -0.20 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 3cde s LYS 533 CO 0.06 -1.67 0.14 -0.51 -0.92 0.00 0.00 175.35 172.45 3cde s LEU 534 N -5.71 4.03 -0.14 3.17 1.02 -1.26 -5.07 118.68 114.72 3cde s LEU 534 Ca 0.62 0.10 -0.29 0.00 0.02 0.00 0.00 54.13 54.57 3cde s LEU 534 Cb -0.13 -2.68 -0.02 0.00 0.02 0.00 0.00 46.19 43.38 3cde s LEU 534 CO 0.52 0.16 1.31 -0.75 0.02 0.00 0.00 176.35 177.60 3cde s LYS 535 N -2.51 4.24 -0.32 1.70 2.47 -1.26 -4.99 119.74 119.06 3cde s LYS 535 Ca 0.32 1.73 -0.13 0.00 -1.56 0.00 0.00 55.97 56.32 3cde s LYS 535 Cb -0.12 -3.77 -0.02 0.00 -1.46 0.00 0.00 37.83 32.46 3cde s LYS 535 CO 0.25 -0.70 0.28 -0.51 0.16 0.00 0.00 175.35 174.83 3cde s LEU 536 N 3.42 4.35 0.23 5.43 1.43 -1.26 -5.07 118.68 127.22 3cde s LEU 536 Ca 0.57 -0.22 0.11 0.00 -1.03 0.00 0.00 54.13 53.56 3cde s LEU 536 Cb -0.23 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 3cde s LEU 536 CO 0.17 -0.22 -0.18 0.42 0.23 0.00 0.00 176.35 176.77 3cde s THR 537 N 1.85 2.65 0.02 5.49 -4.23 -1.26 -5.08 115.64 115.08 3cde s THR 537 Ca 0.09 -2.10 -0.35 0.00 -1.18 0.00 0.00 61.69 58.15 3cde s THR 537 Cb -0.17 -2.34 -0.14 0.00 1.34 0.00 0.00 72.50 71.20 3cde s THR 537 CO 0.11 -0.24 1.66 -2.65 -0.54 0.00 0.00 174.62 172.96 3cde n PRO 538 N -0.21 1.92 -2.12 3.99 -0.02 -1.26 -4.91 135.00 132.39 3cde n PRO 538 Ca -0.09 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 3cde n PRO 538 Cb 0.58 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3cde n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3cde s ILE 539 N 2.16 3.65 0.25 4.25 1.01 -1.26 -4.93 121.20 126.33 3cde s ILE 539 Ca 0.86 0.91 -0.03 0.00 0.00 0.00 0.00 60.65 62.39 3cde s ILE 539 Cb -0.76 -3.59 0.22 0.00 0.01 0.00 0.00 42.46 38.34 3cde s ILE 539 CO 0.46 -0.05 1.77 -0.65 0.00 0.00 0.00 174.94 176.48 3cde h PRO 540 N 8.69 0.61 0.00 2.79 0.11 -2.04 -2.22 132.00 139.94 3cde h PRO 540 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3cde h PRO 540 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3cde h PRO 540 CO 0.94 0.41 0.00 0.00 -0.21 0.00 0.00 178.00 179.13 3cde n ALA 541 N -2.42 1.71 -0.05 -0.75 0.00 -1.26 -3.88 120.51 113.87 3cde n ALA 541 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.54 3cde n ALA 541 Cb 0.37 -1.25 0.31 0.00 0.00 0.00 0.00 19.45 18.88 3cde n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cde h ALA 542 N 2.54 1.46 0.00 0.00 0.00 -1.74 -2.18 119.26 119.34 3cde h ALA 542 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3cde h ALA 542 Cb 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3cde h ALA 542 CO 0.00 0.41 0.00 0.77 0.00 0.00 0.00 179.25 180.43 3cde h SER 543 N 0.63 0.00 0.65 0.00 0.02 -1.79 -3.26 113.55 109.79 3cde h SER 543 Ca 0.15 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 3cde h SER 543 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3cde h SER 543 CO -0.01 0.00 -0.47 1.56 -1.14 0.00 0.00 176.83 176.76 3cde h GLN 544 N 0.00 0.00 -6.67 3.45 1.08 -1.65 -3.45 115.11 107.87 3cde h GLN 544 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 3cde h GLN 544 Cb 0.59 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 28.06 3cde h GLN 544 CO 0.00 0.47 0.77 -0.51 -0.95 0.00 0.00 178.83 178.61 3cde s LEU 545 N -7.50 4.38 -0.74 1.46 1.43 -1.23 -4.97 118.68 111.51 3cde s LEU 545 Ca -0.01 2.56 -0.21 0.00 -1.03 0.00 0.00 54.13 55.44 3cde s LEU 545 Cb 0.12 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.82 3cde s LEU 545 CO 0.72 -0.70 1.01 -0.62 0.23 0.00 0.00 176.35 176.99 3cde s ASP 546 N 0.67 6.30 -0.03 2.29 3.68 -1.26 -4.83 116.67 123.48 3cde s ASP 546 Ca 0.62 -1.29 0.19 0.00 2.13 0.00 0.00 52.55 54.21 3cde s ASP 546 Cb -0.41 -2.41 0.61 0.00 -1.45 0.00 0.00 42.92 39.25 3cde s ASP 546 CO 0.37 -1.34 1.51 0.18 0.13 0.00 0.00 175.17 176.03 3cde n LEU 547 N 7.40 4.00 -4.76 -1.34 4.77 -1.26 -4.94 117.00 120.87 3cde n LEU 547 Ca 0.04 -2.15 -0.41 0.00 -0.03 0.00 0.00 56.01 53.46 3cde n LEU 547 Cb 0.46 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3cde n LEU 547 CO 0.60 0.89 1.08 -0.94 -1.33 0.00 0.00 177.39 177.70 3cde s SER 548 N -1.01 6.63 0.00 -1.43 1.04 -1.26 -2.62 113.70 115.05 3cde s SER 548 Ca 0.45 2.73 0.00 0.00 0.48 0.00 0.00 55.95 59.61 3cde s SER 548 Cb 0.25 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.74 3cde s SER 548 CO 0.27 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.41 3cde n GLY 549 N 1.62 0.97 0.08 7.32 0.00 -1.26 -4.96 105.19 108.97 3cde n GLY 549 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 3cde n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3cde h TRP 550 N 0.00 -0.07 -2.24 1.61 4.06 -1.88 -3.36 115.95 114.07 3cde h TRP 550 Ca 0.00 -0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 3cde h TRP 550 Cb 0.00 0.02 -0.42 0.00 -1.00 0.00 0.00 29.16 27.77 3cde h TRP 550 CO 0.00 0.40 -0.70 1.19 -3.56 0.00 0.00 178.44 175.77 3cde n PHE 551 N -4.89 3.55 -0.10 0.49 3.72 -1.26 -4.75 117.46 114.22 3cde n PHE 551 Ca -0.08 -4.00 -0.20 0.00 -0.05 0.00 0.00 57.45 53.12 3cde n PHE 551 Cb 0.26 -0.49 -0.07 0.00 -0.94 0.00 0.00 39.48 38.24 3cde n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3cde n VAL 552 N -0.01 1.31 -4.01 -4.37 0.31 -1.21 -4.13 118.33 106.21 3cde n VAL 552 Ca 0.30 -0.19 -0.10 0.00 -0.01 0.00 0.00 64.34 64.34 3cde n VAL 552 Cb 0.42 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 31.37 3cde n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cde s ALA 553 N -2.50 0.14 0.08 3.52 0.00 -1.24 -3.76 121.76 117.99 3cde s ALA 553 Ca -0.30 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.65 3cde s ALA 553 Cb 0.10 0.99 -0.04 0.00 0.00 0.00 0.00 23.12 24.17 3cde s ALA 553 CO 0.39 -0.68 0.22 0.20 0.00 0.00 0.00 175.76 175.89 3cde s GLY 554 N -3.01 2.09 0.00 0.00 0.00 -1.26 -4.91 107.32 100.23 3cde s GLY 554 Ca 0.22 -0.88 0.10 0.00 0.00 0.00 0.00 44.72 44.16 3cde s GLY 554 CO 0.04 -0.86 1.00 -1.72 0.00 0.00 0.00 173.10 171.56 3cde n TYR 555 N 0.12 0.00 -1.64 1.90 4.01 0.21 -4.58 117.16 117.18 3cde n TYR 555 Ca -0.05 -0.28 -0.52 0.00 -0.16 0.00 0.00 57.90 56.88 3cde n TYR 555 Cb 0.52 0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 39.53 3cde n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3cde n SER 556 N 0.20 2.25 0.00 7.72 2.88 -1.25 0.06 113.62 125.48 3cde n SER 556 Ca -0.02 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 3cde n SER 556 Cb 0.85 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 3cde n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cde n GLY 557 N 3.24 0.51 0.53 0.46 0.00 -1.26 -4.13 105.19 104.54 3cde n GLY 557 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3cde n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cde n GLY 558 N -1.83 0.16 3.32 -0.02 0.00 0.11 -3.23 105.19 103.70 3cde n GLY 558 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 3cde n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cde n ASP 559 N 0.27 -3.21 -4.51 1.61 2.03 -1.26 -4.49 116.55 106.99 3cde n ASP 559 Ca 0.18 -0.56 -0.33 0.00 0.52 0.00 0.00 54.79 54.60 3cde n ASP 559 Cb 0.35 -4.79 -0.12 0.00 -0.72 0.00 0.00 41.12 35.83 3cde n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3cde s ILE 560 N -3.32 3.52 -0.11 5.18 -1.09 -1.26 -4.39 121.20 119.72 3cde s ILE 560 Ca 0.16 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 58.07 3cde s ILE 560 Cb -0.07 -2.46 0.01 0.00 -1.58 0.00 0.00 42.46 38.36 3cde s ILE 560 CO 0.68 0.56 -0.16 -0.47 -1.23 0.00 0.00 174.94 174.33 3cde s TYR 561 N -0.33 2.04 -0.34 3.97 5.04 0.14 -0.84 117.35 127.03 3cde s TYR 561 Ca 0.04 -0.98 0.03 0.00 -2.44 0.00 0.00 57.07 53.72 3cde s TYR 561 Cb -0.13 -1.47 0.02 0.00 0.35 0.00 0.00 41.96 40.74 3cde s TYR 561 CO 0.02 -0.50 0.59 0.72 -1.34 0.00 0.00 175.55 175.04