#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yuy s MET 2 N 0.00 4.54 0.27 1.43 1.00 -1.26 -0.41 119.30 124.87 1yuy s MET 2 Ca 0.00 1.13 -0.04 0.00 0.00 0.00 0.00 55.69 56.78 1yuy s MET 2 Cb 0.00 -3.33 0.35 0.00 0.00 0.00 0.00 34.83 31.85 1yuy s MET 2 CO 0.00 0.38 1.91 0.66 0.00 0.00 0.00 175.02 177.97 1yuy h SER 3 N 5.18 1.00 -5.15 3.03 4.64 -1.59 -3.40 113.55 117.25 1yuy h SER 3 Ca -0.45 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 60.71 1yuy h SER 3 Cb 1.21 -0.25 -0.15 0.00 -0.31 0.00 0.00 62.40 62.89 1yuy h SER 3 CO 0.69 0.78 -0.43 -0.31 -0.87 0.00 0.00 176.83 176.69 1yuy s TYR 4 N -5.80 0.20 -0.00 4.77 1.51 -1.26 -0.99 117.35 115.77 1yuy s TYR 4 Ca -0.12 -0.61 0.04 0.00 -1.01 0.00 0.00 57.07 55.37 1yuy s TYR 4 Cb 0.17 -0.11 -0.01 0.00 -0.11 0.00 0.00 41.96 41.90 1yuy s TYR 4 CO 0.81 -0.49 -0.12 -1.12 -1.11 0.00 0.00 175.55 173.52 1yuy s SER 5 N -2.71 1.42 0.02 2.29 0.01 -0.58 -4.84 113.70 109.31 1yuy s SER 5 Ca 0.03 -0.25 0.07 0.00 1.31 0.00 0.00 55.95 57.11 1yuy s SER 5 Cb 0.04 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 1yuy s SER 5 CO -0.09 0.13 -0.22 0.26 0.41 0.00 0.00 173.24 173.72 1yuy s TRP 6 N -0.37 1.97 -0.08 2.43 0.52 -1.26 -0.91 118.94 121.23 1yuy s TRP 6 Ca 0.04 -0.38 0.13 0.00 0.02 0.00 0.00 56.10 55.91 1yuy s TRP 6 Cb -0.05 -1.21 -0.06 0.00 -1.15 0.00 0.00 33.47 31.00 1yuy s TRP 6 CO -0.00 0.05 1.23 1.79 0.02 0.00 0.00 176.95 180.04 1yuy h THR 7 N 4.43 0.99 0.00 2.01 1.35 -1.52 -3.48 112.91 116.69 1yuy h THR 7 Ca -0.42 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 62.96 1yuy h THR 7 Cb 1.15 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 1yuy h THR 7 CO 0.45 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.90 1yuy n GLY 8 N 1.31 2.21 3.76 5.82 0.00 -1.26 -5.09 105.19 111.94 1yuy n GLY 8 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1yuy n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yuy s ALA 9 N -2.10 3.09 0.54 4.61 0.00 -1.26 -4.97 121.76 121.66 1yuy s ALA 9 Ca 0.00 1.32 -0.15 0.00 0.00 0.00 0.00 51.96 53.12 1yuy s ALA 9 Cb 0.00 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 1yuy s ALA 9 CO 0.00 -1.11 1.00 -0.51 0.00 0.00 0.00 175.76 175.14 1yuy s LEU 10 N -2.93 3.54 -0.40 0.00 1.43 -1.26 -4.88 118.68 114.18 1yuy s LEU 10 Ca 0.63 1.55 -0.24 0.00 -1.03 0.00 0.00 54.13 55.05 1yuy s LEU 10 Cb -0.40 -4.50 0.02 0.00 0.03 0.00 0.00 46.19 41.34 1yuy s LEU 10 CO 0.50 -0.67 0.83 -0.63 0.23 0.00 0.00 176.35 176.60 1yuy s ILE 11 N -2.72 4.65 0.10 -0.59 1.01 -1.26 -4.77 121.20 117.61 1yuy s ILE 11 Ca 0.58 0.78 0.03 0.00 0.00 0.00 0.00 60.65 62.04 1yuy s ILE 11 Cb -0.10 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 1yuy s ILE 11 CO 0.36 -0.59 0.12 0.42 0.00 0.00 0.00 174.94 175.24 1yuy s THR 12 N 3.32 4.67 0.60 2.92 -4.23 -1.26 -4.90 115.64 116.74 1yuy s THR 12 Ca 0.33 -0.78 -0.13 0.00 -1.18 0.00 0.00 61.69 59.93 1yuy s THR 12 Cb -0.12 -3.29 -0.05 0.00 1.34 0.00 0.00 72.50 70.39 1yuy s THR 12 CO 0.20 0.07 1.02 -2.16 -0.54 0.00 0.00 174.62 173.22 1yuy s PRO 13 N -2.58 3.63 0.00 3.99 0.04 -1.26 -4.25 135.00 134.57 1yuy s PRO 13 Ca 0.31 0.83 0.22 0.00 0.04 0.00 0.00 61.00 62.40 1yuy s PRO 13 Cb -0.12 -2.09 0.55 0.00 0.04 0.00 0.00 34.50 32.88 1yuy s PRO 13 CO 0.23 -0.54 1.47 0.00 0.04 0.00 0.00 177.00 178.20 1yuy n SER 15 N 1.54 0.00 -4.45 0.00 3.41 -1.26 -5.15 113.62 107.71 1yuy n SER 15 Ca 0.22 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.40 1yuy n SER 15 Cb 0.61 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1yuy n SER 15 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1yuy n PRO 16 N -0.31 0.55 -5.12 4.33 -0.02 -1.26 -4.98 135.00 128.20 1yuy n PRO 16 Ca 0.00 0.20 -0.31 0.00 -2.02 0.00 0.00 63.50 61.37 1yuy n PRO 16 Cb 0.00 -1.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.89 1yuy n PRO 16 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1yuy s GLU 17 N -1.44 2.14 -0.20 -0.52 2.02 -1.26 -5.12 118.70 114.33 1yuy s GLU 17 Ca 0.62 -0.91 -0.08 0.00 0.02 0.00 0.00 54.97 54.62 1yuy s GLU 17 Cb -0.67 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 1yuy s GLU 17 CO 0.59 0.56 0.08 -2.00 0.02 0.00 0.00 175.26 174.51 1yuy s GLU 18 N -0.79 3.97 -0.02 1.61 2.12 -1.26 -5.00 118.70 119.33 1yuy s GLU 18 Ca 0.11 -0.34 0.19 0.00 0.36 0.00 0.00 54.97 55.29 1yuy s GLU 18 Cb -0.10 -3.28 -0.28 0.00 0.26 0.00 0.00 34.13 30.73 1yuy s GLU 18 CO 0.00 0.20 0.50 -0.85 -0.54 0.00 0.00 175.26 174.58 1yuy n GLU 19 N 3.76 0.63 -4.61 4.30 0.28 -1.26 -4.58 120.64 119.16 1yuy n GLU 19 Ca -0.16 -0.14 -0.30 0.00 -0.16 0.00 0.00 57.16 56.39 1yuy n GLU 19 Cb 0.52 -1.45 -0.13 0.00 1.43 0.00 0.00 31.44 31.82 1yuy n GLU 19 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1yuy s LYS 20 N -3.23 1.89 0.13 3.44 3.01 -1.26 -1.41 119.74 122.30 1yuy s LYS 20 Ca -0.04 -1.09 -0.31 0.00 -1.01 0.00 0.00 55.97 53.52 1yuy s LYS 20 Cb 0.13 -2.10 -0.09 0.00 -1.01 0.00 0.00 37.83 34.76 1yuy s LYS 20 CO 0.80 0.51 1.49 -1.17 0.51 0.00 0.00 175.35 177.49 1yuy s LEU 21 N -1.60 4.37 0.69 3.17 2.96 -1.12 -4.95 118.68 122.19 1yuy s LEU 21 Ca 0.15 2.46 -0.14 0.00 -0.22 0.00 0.00 54.13 56.38 1yuy s LEU 21 Cb -0.10 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.02 1yuy s LEU 21 CO 0.06 -0.75 1.10 -2.16 -1.32 0.00 0.00 176.35 173.28 1yuy s PRO 22 N 1.32 2.65 -0.47 0.98 0.04 -1.26 -4.85 135.00 133.41 1yuy s PRO 22 Ca 0.68 1.32 -0.24 0.00 0.04 0.00 0.00 61.00 62.80 1yuy s PRO 22 Cb -0.40 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.24 1yuy s PRO 22 CO 0.31 -1.36 0.86 0.42 0.04 0.00 0.00 177.00 177.26 1yuy s ILE 23 N -2.51 4.55 -0.02 0.56 1.01 -1.26 -4.93 121.20 118.59 1yuy s ILE 23 Ca 0.65 0.50 -0.02 0.00 0.00 0.00 0.00 60.65 61.79 1yuy s ILE 23 Cb -0.19 -4.40 0.01 0.00 0.01 0.00 0.00 42.46 37.89 1yuy s ILE 23 CO 0.46 -0.82 0.05 0.21 0.00 0.00 0.00 174.94 174.84 1yuy s ASN 24 N 2.30 -0.04 0.52 3.58 2.47 -1.26 -5.06 114.94 117.45 1yuy s ASN 24 Ca 0.32 0.11 0.17 0.00 0.42 0.00 0.00 52.86 53.88 1yuy s ASN 24 Cb -0.12 0.08 1.27 0.00 -1.45 0.00 0.00 41.25 41.03 1yuy s ASN 24 CO 0.23 -0.05 2.12 1.55 -3.72 0.00 0.00 177.10 177.24 1yuy h PRO 25 N 6.36 0.03 -0.33 0.43 0.13 -1.97 0.33 132.00 136.99 1yuy h PRO 25 Ca -0.29 -0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.73 1yuy h PRO 25 Cb 1.19 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1yuy h PRO 25 CO 0.47 0.02 -0.20 -0.07 -0.23 0.00 0.00 178.00 177.99 1yuy h LEU 26 N 0.03 0.74 -0.13 1.56 3.38 -1.97 -2.32 115.31 116.60 1yuy h LEU 26 Ca 0.05 -0.43 -0.24 0.00 0.09 0.00 0.00 57.88 57.36 1yuy h LEU 26 Cb 0.16 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1yuy h LEU 26 CO -0.00 1.01 -0.96 -1.28 0.09 0.00 0.00 178.44 177.30 1yuy h SER 27 N 0.48 0.69 0.28 -0.43 0.87 -1.77 -3.21 113.55 110.45 1yuy h SER 27 Ca 0.07 -0.54 -0.03 0.00 -1.23 0.00 0.00 61.79 60.06 1yuy h SER 27 Cb 0.75 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1yuy h SER 27 CO 0.06 1.34 -0.13 -1.13 -0.53 0.00 0.00 176.83 176.44 1yuy h ASN 28 N 0.31 0.00 1.15 6.23 -0.73 -0.32 -1.01 115.58 121.21 1yuy h ASN 28 Ca -0.09 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.08 1yuy h ASN 28 Cb 1.59 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.18 1yuy h ASN 28 CO 0.18 0.13 0.00 0.77 -0.37 0.00 0.00 177.43 178.13 1yuy h SER 29 N 0.00 0.00 0.07 1.15 4.64 -1.42 -3.15 113.55 114.84 1yuy h SER 29 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1yuy h SER 29 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 1yuy h SER 29 CO 0.02 0.00 -1.95 -0.11 -0.87 0.00 0.00 176.83 173.92 1yuy n LEU 30 N -2.64 2.46 -3.67 5.97 7.94 -0.48 -4.69 117.00 121.90 1yuy n LEU 30 Ca 0.03 0.21 -0.10 0.00 -1.11 0.00 0.00 56.01 55.04 1yuy n LEU 30 Cb 0.33 -1.03 -0.09 0.00 0.53 0.00 0.00 43.42 43.17 1yuy n LEU 30 CO 0.26 0.72 0.23 -1.48 -1.11 0.00 0.00 177.39 176.01 1yuy s LEU 31 N -7.19 -0.43 -0.01 -1.96 0.05 -0.64 -4.18 118.68 104.32 1yuy s LEU 31 Ca -0.27 1.21 0.08 0.00 0.05 0.00 0.00 54.13 55.19 1yuy s LEU 31 Cb 0.07 1.93 -0.24 0.00 -2.05 0.00 0.00 46.19 45.91 1yuy s LEU 31 CO 0.68 -0.21 0.80 0.03 -0.55 0.00 0.00 176.35 177.10 1yuy h ARG 32 N 6.44 0.06 -3.32 1.48 3.08 -1.10 -3.35 114.38 117.66 1yuy h ARG 32 Ca -0.31 -0.10 -0.65 0.00 0.07 0.00 0.00 59.98 58.98 1yuy h ARG 32 Cb 1.20 0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.30 1yuy h ARG 32 CO 0.20 0.75 3.53 0.66 -1.07 0.00 0.00 179.97 184.04 1yuy n TYR 33 N -3.21 2.57 0.11 3.04 0.53 -0.96 -4.70 117.16 114.54 1yuy n TYR 33 Ca -0.14 -2.93 0.18 0.00 -1.02 0.00 0.00 57.90 53.99 1yuy n TYR 33 Cb 1.03 -2.41 0.74 0.00 -1.03 0.00 0.00 39.34 37.67 1yuy n TYR 33 CO 0.00 0.00 0.00 1.12 -1.02 0.00 0.00 176.86 176.96 1yuy h HIS 34 N 5.45 0.00 0.00 -0.72 2.07 -1.85 -0.98 115.15 119.11 1yuy h HIS 34 Ca 0.76 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.28 1yuy h HIS 34 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 1yuy h HIS 34 CO 1.78 0.00 0.00 -0.91 -3.07 0.00 0.00 177.93 175.73 1yuy h ASN 35 N 0.00 0.00 0.66 3.10 2.35 -1.88 -2.29 115.58 117.52 1yuy h ASN 35 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1yuy h ASN 35 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1yuy h ASN 35 CO -0.00 0.00 -0.51 0.29 -1.65 0.00 0.00 177.43 175.56 1yuy n LYS 36 N -2.31 0.10 -3.69 0.81 5.02 -0.37 -4.80 118.16 112.93 1yuy n LYS 36 Ca 0.01 0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 55.96 1yuy n LYS 36 Cb 0.20 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 1yuy n LYS 36 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yuy s VAL 37 N -3.06 5.14 0.19 -0.18 1.01 -0.86 -0.06 120.40 122.58 1yuy s VAL 37 Ca 0.10 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1yuy s VAL 37 Cb 0.16 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1yuy s VAL 37 CO 0.69 0.33 0.00 -0.72 0.00 0.00 0.00 175.10 175.41 1yuy s TYR 38 N 1.27 1.30 -0.05 5.22 1.13 -0.56 -2.79 117.35 122.88 1yuy s TYR 38 Ca 0.07 -1.01 0.05 0.00 -1.41 0.00 0.00 57.07 54.77 1yuy s TYR 38 Cb -0.14 -0.74 -0.01 0.00 -1.10 0.00 0.00 41.96 39.97 1yuy s TYR 38 CO 0.06 -0.18 -0.20 0.00 -2.51 0.00 0.00 175.55 172.72 1yuy s THR 40 N -0.00 3.26 0.34 0.00 -4.23 0.53 -4.56 115.64 110.97 1yuy s THR 40 Ca -0.04 0.94 0.03 0.00 -1.18 0.00 0.00 61.69 61.44 1yuy s THR 40 Cb -0.12 -3.47 -0.02 0.00 1.34 0.00 0.00 72.50 70.23 1yuy s THR 40 CO 0.03 -0.02 0.36 0.42 -0.54 0.00 0.00 174.62 174.86 1yuy s THR 41 N -1.60 0.00 0.59 3.99 -4.23 -1.26 -3.83 115.64 109.31 1yuy s THR 41 Ca 0.63 -1.83 0.29 0.00 -1.18 0.00 0.00 61.69 59.59 1yuy s THR 41 Cb -0.26 -2.57 0.37 0.00 1.34 0.00 0.00 72.50 71.38 1yuy s THR 41 CO 0.32 0.00 1.95 0.28 -0.54 0.00 0.00 174.62 176.63 1yuy h SER 42 N 2.13 0.00 -0.20 3.99 0.02 -1.88 -2.51 113.55 115.10 1yuy h SER 42 Ca -0.26 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.74 1yuy h SER 42 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1yuy h SER 42 CO 0.38 0.00 0.16 0.11 -1.14 0.00 0.00 176.83 176.34 1yuy h LYS 43 N 0.00 0.00 -0.21 3.45 1.57 -1.96 -1.82 116.57 117.60 1yuy h LYS 43 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1yuy h LYS 43 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1yuy h LYS 43 CO -0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 1yuy n SER 44 N -4.23 2.96 -0.28 0.86 3.41 -0.94 -4.59 113.62 110.81 1yuy n SER 44 Ca 0.02 -1.88 0.14 0.00 -0.26 0.00 0.00 58.87 56.88 1yuy n SER 44 Cb 0.30 -0.13 0.39 0.00 -0.26 0.00 0.00 64.21 64.51 1yuy n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yuy h ALA 45 N 3.79 1.87 -0.45 7.33 0.00 -1.44 -1.20 119.26 129.17 1yuy h ALA 45 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1yuy h ALA 45 Cb 0.85 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1yuy h ALA 45 CO 0.00 -0.15 -0.16 0.77 0.00 0.00 0.00 179.25 179.71 1yuy h SER 46 N 0.66 0.86 -0.79 0.00 0.02 -1.81 -0.27 113.55 112.22 1yuy h SER 46 Ca 0.48 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1yuy h SER 46 Cb 0.85 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1yuy h SER 46 CO -0.23 1.02 0.31 -0.07 -1.14 0.00 0.00 176.83 176.71 1yuy h LEU 47 N 0.76 1.10 -0.16 5.07 3.38 -1.56 -2.10 115.31 121.80 1yuy h LEU 47 Ca 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1yuy h LEU 47 Cb 0.69 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1yuy h LEU 47 CO 0.05 0.98 -0.02 -0.09 0.09 0.00 0.00 178.44 179.44 1yuy h ARG 48 N 1.15 0.29 -0.80 1.13 9.65 -1.17 -2.60 114.38 122.03 1yuy h ARG 48 Ca 0.26 -0.11 0.17 0.00 -1.10 0.00 0.00 59.98 59.20 1yuy h ARG 48 Cb 0.23 -0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 28.68 1yuy h ARG 48 CO -0.02 0.55 0.32 0.00 2.80 0.00 0.00 179.97 183.62 1yuy h ALA 49 N 0.73 1.17 -0.44 2.80 0.00 -0.77 0.89 119.26 123.64 1yuy h ALA 49 Ca 0.04 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1yuy h ALA 49 Cb 0.44 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1yuy h ALA 49 CO 0.01 -0.25 -0.09 0.87 0.00 0.00 0.00 179.25 179.79 1yuy h LYS 50 N 0.42 0.77 -0.46 0.00 6.56 -1.28 -2.47 116.57 120.11 1yuy h LYS 50 Ca 0.46 -0.24 -0.03 0.00 -1.06 0.00 0.00 60.65 59.78 1yuy h LYS 50 Cb 0.77 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.34 1yuy h LYS 50 CO -0.45 0.83 0.16 0.87 -2.06 0.00 0.00 179.45 178.80 1yuy h LYS 51 N 0.70 0.70 -0.04 3.15 1.57 -0.48 -3.11 116.57 119.07 1yuy h LYS 51 Ca 0.12 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1yuy h LYS 51 Cb 0.55 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1yuy h LYS 51 CO 0.03 0.66 0.00 1.33 -0.57 0.00 0.00 179.45 180.90 1yuy n VAL 52 N -4.56 0.04 -3.53 0.50 0.24 -0.56 -4.77 118.33 105.69 1yuy n VAL 52 Ca 0.01 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.34 61.69 1yuy n VAL 52 Cb 0.17 0.20 -0.10 0.00 -1.47 0.00 0.00 33.84 32.64 1yuy n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1yuy s THR 53 N -1.96 4.84 0.16 3.34 2.01 -0.94 -4.68 115.64 118.41 1yuy s THR 53 Ca 0.38 -0.85 -0.24 0.00 0.31 0.00 0.00 61.69 61.29 1yuy s THR 53 Cb 0.20 -3.74 0.06 0.00 0.01 0.00 0.00 72.50 69.03 1yuy s THR 53 CO 0.32 -0.31 0.72 0.72 -0.69 0.00 0.00 174.62 175.38 1yuy s PHE 54 N 1.59 -0.37 0.18 4.92 -0.71 -1.26 -4.94 117.98 117.39 1yuy s PHE 54 Ca 0.03 0.10 -0.29 0.00 -1.04 0.00 0.00 56.93 55.73 1yuy s PHE 54 Cb -0.20 0.60 -0.08 0.00 -1.21 0.00 0.00 43.02 42.14 1yuy s PHE 54 CO 0.07 -0.89 0.93 0.34 -1.34 0.00 0.00 175.22 174.33 1yuy s ASP 55 N -2.76 7.55 -0.23 1.98 -1.08 -1.26 -1.61 116.67 119.26 1yuy s ASP 55 Ca 0.05 1.84 -0.06 0.00 -0.52 0.00 0.00 52.55 53.87 1yuy s ASP 55 Cb -0.02 -2.59 -0.02 0.00 -1.46 0.00 0.00 42.92 38.83 1yuy s ASP 55 CO -0.06 0.08 0.03 -0.13 0.52 0.00 0.00 175.17 175.61 1yuy s ARG 56 N -0.70 3.61 -0.27 4.34 3.00 0.45 -4.97 118.95 124.42 1yuy s ARG 56 Ca 0.43 -0.51 -0.06 0.00 0.00 0.00 0.00 55.73 55.58 1yuy s ARG 56 Cb -0.25 -3.18 -0.00 0.00 0.00 0.00 0.00 34.95 31.52 1yuy s ARG 56 CO 0.30 -0.10 0.05 0.00 0.00 0.00 0.00 175.30 175.54 1yuy s MET 57 N 1.34 3.29 -0.08 3.54 0.23 -1.26 -4.87 119.30 121.49 1yuy s MET 57 Ca 0.04 -0.71 0.04 0.00 -1.03 0.00 0.00 55.69 54.04 1yuy s MET 57 Cb -0.15 -3.27 -0.00 0.00 -1.53 0.00 0.00 34.83 29.89 1yuy s MET 57 CO 0.02 -0.32 -0.22 -1.14 -2.03 0.00 0.00 175.02 171.33 1yuy s GLN 58 N 1.52 2.54 -0.04 3.16 0.74 -1.26 -4.19 119.66 122.13 1yuy s GLN 58 Ca 0.04 -0.78 -0.02 0.00 0.05 0.00 0.00 55.36 54.66 1yuy s GLN 58 Cb -0.16 -2.03 0.03 0.00 1.10 0.00 0.00 33.01 31.95 1yuy s GLN 58 CO 0.01 0.22 0.04 0.54 -0.55 0.00 0.00 175.29 175.56 1yuy s VAL 59 N 0.21 0.00 0.43 1.34 0.11 0.11 -5.02 120.40 117.59 1yuy s VAL 59 Ca -0.12 0.34 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 1yuy s VAL 59 Cb -0.16 -0.23 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1yuy s VAL 59 CO 0.06 0.19 0.61 -0.76 -3.33 0.00 0.00 175.10 171.87 1yuy s LEU 60 N 2.00 3.65 0.00 2.54 1.43 -1.26 -4.13 118.68 122.92 1yuy s LEU 60 Ca 0.03 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1yuy s LEU 60 Cb -0.12 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.25 1yuy s LEU 60 CO -0.03 -0.75 0.20 -0.90 0.23 0.00 0.00 176.35 175.09 1yuy n ASP 61 N -1.96 -0.53 -0.09 2.29 3.85 -1.26 -5.04 116.55 113.81 1yuy n ASP 61 Ca 0.04 -2.06 0.02 0.00 -0.71 0.00 0.00 54.79 52.09 1yuy n ASP 61 Cb 0.59 1.08 0.35 0.00 -1.35 0.00 0.00 41.12 41.78 1yuy n ASP 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1yuy h ALA 62 N 1.64 1.60 -0.10 2.12 0.00 -2.00 -1.07 119.26 121.45 1yuy h ALA 62 Ca -0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1yuy h ALA 62 Cb 0.62 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yuy h ALA 62 CO 0.18 0.37 0.05 1.88 0.00 0.00 0.00 179.25 181.73 1yuy h TYR 63 N 0.74 0.14 -0.44 0.00 -1.99 -1.97 -0.59 116.97 112.87 1yuy h TYR 63 Ca 0.20 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.91 1yuy h TYR 63 Cb -0.08 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 38.59 1yuy h TYR 63 CO 0.00 0.20 0.24 -0.92 -0.00 0.00 0.00 178.16 177.68 1yuy h TYR 64 N 0.04 0.60 -0.83 4.88 5.03 -1.76 -2.53 116.97 122.40 1yuy h TYR 64 Ca 0.03 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.38 1yuy h TYR 64 Cb 0.11 -0.19 -0.06 0.00 1.55 0.00 0.00 36.73 38.14 1yuy h TYR 64 CO -0.03 0.46 0.51 -0.44 -1.32 0.00 0.00 178.16 177.34 1yuy h ASP 65 N 0.57 0.80 -0.07 -2.11 3.45 -0.97 -1.37 116.42 116.72 1yuy h ASP 65 Ca 0.15 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 1yuy h ASP 65 Cb 0.06 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 38.68 1yuy h ASP 65 CO -0.02 0.52 0.03 -1.28 -1.57 0.00 0.00 179.24 176.91 1yuy h SER 66 N 0.94 0.09 -0.55 6.45 0.87 -0.85 -1.92 113.55 118.58 1yuy h SER 66 Ca 0.36 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1yuy h SER 66 Cb 0.15 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1yuy h SER 66 CO -0.17 0.23 0.33 0.58 -0.53 0.00 0.00 176.83 177.28 1yuy h VAL 67 N -0.05 1.16 -1.01 2.23 2.07 -1.18 -2.20 116.25 117.27 1yuy h VAL 67 Ca 0.02 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1yuy h VAL 67 Cb 0.17 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1yuy h VAL 67 CO -0.00 0.17 0.67 0.25 0.02 0.00 0.00 177.57 178.68 1yuy h LEU 68 N 0.74 1.16 -0.44 2.57 5.85 -1.15 -0.25 115.31 123.79 1yuy h LEU 68 Ca 0.20 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1yuy h LEU 68 Cb -0.02 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 1yuy h LEU 68 CO -0.04 0.84 0.28 0.50 -0.34 0.00 0.00 178.44 179.68 1yuy h LYS 69 N 1.36 0.55 -0.84 1.25 3.64 -0.95 -0.91 116.57 120.68 1yuy h LYS 69 Ca 0.37 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1yuy h LYS 69 Cb -0.15 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.50 1yuy h LYS 69 CO -0.08 0.37 0.41 -0.44 -2.27 0.00 0.00 179.45 177.43 1yuy h ASP 70 N 0.57 1.09 -0.40 4.20 3.45 -0.75 -2.55 116.42 122.03 1yuy h ASP 70 Ca 0.17 -0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.46 1yuy h ASP 70 Cb -0.04 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.44 1yuy h ASP 70 CO -0.05 0.91 0.11 0.40 -1.57 0.00 0.00 179.24 179.05 1yuy h ILE 71 N 1.19 1.22 -0.51 0.35 2.04 -0.55 -1.87 117.51 119.38 1yuy h ILE 71 Ca 0.29 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 1yuy h ILE 71 Cb 0.11 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1yuy h ILE 71 CO -0.04 0.26 0.16 0.11 0.00 0.00 0.00 178.15 178.64 1yuy h LYS 72 N 0.50 0.76 -0.54 2.37 1.57 -1.02 0.12 116.57 120.32 1yuy h LYS 72 Ca 0.13 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1yuy h LYS 72 Cb 0.28 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1yuy h LYS 72 CO -0.00 0.66 0.05 1.25 -0.57 0.00 0.00 179.45 180.84 1yuy h LEU 73 N 0.74 0.89 -1.04 2.94 7.12 -1.25 -2.31 115.31 122.41 1yuy h LEU 73 Ca 0.17 -0.28 -0.07 0.00 0.13 0.00 0.00 57.88 57.83 1yuy h LEU 73 Cb 0.21 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.09 1yuy h LEU 73 CO -0.01 0.95 -0.08 0.00 -0.13 0.00 0.00 178.44 179.17 1yuy h ALA 74 N 0.97 1.20 0.00 1.25 0.00 -0.70 -2.31 119.26 119.68 1yuy h ALA 74 Ca 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1yuy h ALA 74 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1yuy h ALA 74 CO 0.02 0.52 -0.22 0.00 0.00 0.00 0.00 179.25 179.56 1yuy h ALA 75 N 1.36 1.49 0.00 0.00 0.00 -0.56 -2.30 119.26 119.25 1yuy h ALA 75 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1yuy h ALA 75 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1yuy h ALA 75 CO 0.03 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.42 1yuy n SER 76 N -4.06 0.62 -0.05 0.00 3.41 -0.87 -1.37 113.62 111.29 1yuy n SER 76 Ca -0.02 0.71 0.14 0.00 -0.26 0.00 0.00 58.87 59.44 1yuy n SER 76 Cb 0.29 -0.82 0.67 0.00 -0.26 0.00 0.00 64.21 64.10 1yuy n SER 76 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1yuy n LYS 77 N -2.24 0.53 -3.49 4.33 4.76 -0.86 -4.62 118.16 116.57 1yuy n LYS 77 Ca 0.01 -0.11 -0.38 0.00 -2.87 0.00 0.00 58.31 54.96 1yuy n LYS 77 Cb 0.14 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.77 1yuy n LYS 77 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1yuy s VAL 78 N -2.54 5.07 -0.08 -0.18 1.01 -0.47 -5.01 120.40 118.19 1yuy s VAL 78 Ca 0.28 0.82 0.02 0.00 0.00 0.00 0.00 61.98 63.10 1yuy s VAL 78 Cb 0.20 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1yuy s VAL 78 CO 0.48 0.54 -0.14 -0.94 0.00 0.00 0.00 175.10 175.04 1yuy s SER 79 N -0.82 2.14 0.12 3.32 1.04 -1.26 0.05 113.70 118.29 1yuy s SER 79 Ca 0.23 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.33 1yuy s SER 79 Cb -0.16 -0.97 -0.04 0.00 0.10 0.00 0.00 66.02 64.95 1yuy s SER 79 CO 0.12 0.03 -0.09 0.00 0.98 0.00 0.00 173.24 174.28 1yuy s ALA 80 N 0.78 1.23 0.35 5.32 0.00 -0.54 -4.95 121.76 123.95 1yuy s ALA 80 Ca -0.12 -1.35 0.09 0.00 0.00 0.00 0.00 51.96 50.59 1yuy s ALA 80 Cb -0.16 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 1yuy s ALA 80 CO 0.02 -0.10 -0.08 -0.98 0.00 0.00 0.00 175.76 174.62 1yuy s ARG 81 N -3.42 1.85 0.17 0.00 1.70 -1.26 -4.35 118.95 113.65 1yuy s ARG 81 Ca 0.12 -1.93 -0.30 0.00 -0.47 0.00 0.00 55.73 53.15 1yuy s ARG 81 Cb 0.01 -1.72 -0.07 0.00 -0.57 0.00 0.00 34.95 32.59 1yuy s ARG 81 CO -0.01 0.13 1.02 -1.17 -1.08 0.00 0.00 175.30 174.20 1yuy s LEU 82 N -3.62 4.53 0.36 -1.89 2.96 -1.26 -4.52 118.68 115.24 1yuy s LEU 82 Ca 0.33 1.97 -0.18 0.00 -0.22 0.00 0.00 54.13 56.03 1yuy s LEU 82 Cb 0.03 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 43.02 1yuy s LEU 82 CO 0.17 -0.09 0.83 -0.22 -1.32 0.00 0.00 176.35 175.72 1yuy s LEU 83 N -0.47 4.02 0.67 -0.68 2.96 -0.06 -5.05 118.68 120.08 1yuy s LEU 83 Ca 0.47 1.46 -0.11 0.00 -0.22 0.00 0.00 54.13 55.73 1yuy s LEU 83 Cb -0.27 -4.26 -0.01 0.00 0.50 0.00 0.00 46.19 42.16 1yuy s LEU 83 CO 0.33 -0.26 1.06 0.28 -1.32 0.00 0.00 176.35 176.44 1yuy s THR 84 N -2.05 4.11 0.23 3.68 -1.32 -1.26 -4.65 115.64 114.38 1yuy s THR 84 Ca 0.57 0.69 -0.07 0.00 -1.21 0.00 0.00 61.69 61.66 1yuy s THR 84 Cb -0.10 -3.59 0.19 0.00 -1.51 0.00 0.00 72.50 67.49 1yuy s THR 84 CO 0.16 -0.90 1.86 0.25 -2.21 0.00 0.00 174.62 173.79 1yuy h LEU 85 N -0.57 0.85 -0.43 9.08 6.46 -1.98 -0.55 115.31 128.17 1yuy h LEU 85 Ca -0.44 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.31 1yuy h LEU 85 Cb 1.22 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 1yuy h LEU 85 CO 0.61 0.58 0.23 -0.33 -0.62 0.00 0.00 178.44 178.91 1yuy h GLU 86 N 1.00 0.60 -0.63 1.25 3.07 -1.99 -0.42 114.58 117.46 1yuy h GLU 86 Ca 0.34 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.11 1yuy h GLU 86 Cb 0.05 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 1yuy h GLU 86 CO -0.13 0.49 0.33 0.93 -1.40 0.00 0.00 179.01 179.22 1yuy h GLU 87 N 0.56 0.89 -0.80 2.33 5.08 -1.80 -1.44 114.58 119.40 1yuy h GLU 87 Ca 0.15 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1yuy h GLU 87 Cb 0.06 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 1yuy h GLU 87 CO -0.02 0.69 0.40 0.00 -1.00 0.00 0.00 179.01 179.08 1yuy h ALA 88 N 1.15 1.20 -0.42 3.43 0.00 -0.71 -2.73 119.26 121.18 1yuy h ALA 88 Ca 0.22 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1yuy h ALA 88 Cb 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1yuy h ALA 88 CO -0.03 0.62 -0.21 0.00 0.00 0.00 0.00 179.25 179.62 1yuy h GLN 90 N 0.74 0.00 -0.00 0.00 1.08 -0.98 -1.85 115.11 114.10 1yuy h GLN 90 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1yuy h GLN 90 Cb 0.75 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1yuy h GLN 90 CO 0.06 0.00 -0.22 1.28 -0.95 0.00 0.00 178.83 179.00 1yuy n LEU 91 N -2.39 0.69 -4.66 1.46 4.77 -1.10 -4.80 117.00 110.98 1yuy n LEU 91 Ca 0.02 -0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.48 1yuy n LEU 91 Cb 0.25 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1yuy n LEU 91 CO 0.21 0.13 0.93 -0.89 -1.33 0.00 0.00 177.39 176.44 1yuy s THR 92 N -2.57 4.66 0.43 -5.08 2.01 -0.69 -0.12 115.64 114.27 1yuy s THR 92 Ca 0.24 2.00 -0.26 0.00 0.31 0.00 0.00 61.69 63.98 1yuy s THR 92 Cb 0.19 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 1yuy s THR 92 CO 0.52 -0.17 1.44 -2.16 -0.69 0.00 0.00 174.62 173.56 1yuy s PRO 93 N 3.17 3.81 0.49 4.92 0.04 -1.26 -4.80 135.00 141.37 1yuy s PRO 93 Ca 0.45 2.45 0.23 0.00 0.04 0.00 0.00 61.00 64.17 1yuy s PRO 93 Cb -0.16 -2.75 1.28 0.00 0.04 0.00 0.00 34.50 32.92 1yuy s PRO 93 CO 0.07 -0.73 1.95 -1.00 0.04 0.00 0.00 177.00 177.33 1yuy h PRO 94 N 2.52 0.15 -0.62 0.56 0.13 -1.95 -1.59 132.00 131.20 1yuy h PRO 94 Ca -0.51 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.47 1yuy h PRO 94 Cb 1.26 -0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.27 1yuy h PRO 94 CO 0.62 0.10 0.17 0.72 -0.23 0.00 0.00 178.00 179.38 1yuy n HIS 95 N -4.40 2.11 -1.96 1.56 8.25 -1.26 -4.31 115.22 115.21 1yuy n HIS 95 Ca 0.13 -1.10 -0.41 0.00 -0.26 0.00 0.00 57.72 56.08 1yuy n HIS 95 Cb 0.64 -0.60 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 1yuy n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1yuy s SER 96 N -1.22 6.47 -0.01 0.41 0.15 -0.60 -4.87 113.70 114.02 1yuy s SER 96 Ca 0.53 2.85 -0.37 0.00 0.70 0.00 0.00 55.95 59.65 1yuy s SER 96 Cb 0.42 -2.66 -0.16 0.00 -1.71 0.00 0.00 66.02 61.91 1yuy s SER 96 CO 0.12 -0.76 1.47 0.00 1.20 0.00 0.00 173.24 175.27 1yuy n ALA 97 N 0.49 -0.61 -0.98 5.45 0.00 -1.26 -4.13 120.51 119.47 1yuy n ALA 97 Ca 0.01 0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.62 1yuy n ALA 97 Cb 0.41 -2.14 0.14 0.00 0.00 0.00 0.00 19.45 17.86 1yuy n ALA 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1yuy s ARG 98 N 1.42 1.33 0.55 0.00 1.70 -1.26 -4.60 118.95 118.09 1yuy s ARG 98 Ca 0.88 1.21 -0.09 0.00 -0.47 0.00 0.00 55.73 57.27 1yuy s ARG 98 Cb -0.97 -1.79 -0.04 0.00 -0.57 0.00 0.00 34.95 31.58 1yuy s ARG 98 CO 0.52 -2.31 0.92 0.45 -1.08 0.00 0.00 175.30 173.80 1yuy s SER 99 N -3.06 6.27 0.00 -2.89 0.15 0.62 -4.64 113.70 110.15 1yuy s SER 99 Ca 0.64 1.22 0.27 0.00 0.70 0.00 0.00 55.95 58.78 1yuy s SER 99 Cb -0.20 -2.38 0.77 0.00 -1.71 0.00 0.00 66.02 62.51 1yuy s SER 99 CO 0.58 -0.73 1.59 2.29 1.20 0.00 0.00 173.24 178.17 1yuy n LYS 100 N -2.45 1.87 -1.01 5.44 2.85 -1.26 -4.09 118.16 119.50 1yuy n LYS 100 Ca 0.04 -1.26 -0.14 0.00 -1.05 0.00 0.00 58.31 55.89 1yuy n LYS 100 Cb 0.54 -1.47 0.21 0.00 -0.65 0.00 0.00 35.03 33.66 1yuy n LYS 100 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1yuy n TYR 101 N 0.54 2.49 -0.31 5.58 4.01 -1.26 -4.91 117.16 123.30 1yuy n TYR 101 Ca 0.17 -1.43 0.00 0.00 -0.16 0.00 0.00 57.90 56.49 1yuy n TYR 101 Cb 0.43 -0.77 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 1yuy n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yuy n GLY 102 N -0.58 0.77 3.30 2.72 0.00 -1.26 -5.00 105.19 105.14 1yuy n GLY 102 Ca 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 1yuy n GLY 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yuy s PHE 103 N -2.25 0.42 0.05 1.61 -0.71 -1.26 -5.00 117.98 110.84 1yuy s PHE 103 Ca 0.00 -0.79 0.00 0.00 -1.04 0.00 0.00 56.93 55.10 1yuy s PHE 103 Cb 0.00 -0.10 -0.00 0.00 -1.21 0.00 0.00 43.02 41.71 1yuy s PHE 103 CO 0.00 -0.67 0.01 0.41 -1.34 0.00 0.00 175.22 173.62 1yuy n GLY 104 N -0.18 4.08 0.35 1.99 0.00 -1.26 -0.28 105.19 109.90 1yuy n GLY 104 Ca -0.08 -2.12 0.04 0.00 0.00 0.00 0.00 46.02 43.85 1yuy n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yuy h ALA 105 N 1.05 1.57 -0.43 4.61 0.00 -1.81 -2.09 119.26 122.16 1yuy h ALA 105 Ca -0.04 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1yuy h ALA 105 Cb 0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1yuy h ALA 105 CO 0.07 0.33 0.22 -0.22 0.00 0.00 0.00 179.25 179.65 1yuy h LYS 106 N 0.92 0.42 0.00 0.00 3.11 -1.91 0.98 116.57 120.10 1yuy h LYS 106 Ca 0.32 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 58.06 1yuy h LYS 106 Cb 0.12 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.24 1yuy h LYS 106 CO -0.10 0.28 -0.36 0.93 -2.81 0.00 0.00 179.45 177.39 1yuy h GLU 107 N 0.44 0.00 0.30 1.90 3.07 -1.81 -1.28 114.58 117.19 1yuy h GLU 107 Ca 0.19 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 1yuy h GLU 107 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1yuy h GLU 107 CO -0.13 0.36 -0.14 0.28 -1.40 0.00 0.00 179.01 177.98 1yuy h VAL 108 N 0.00 0.55 -0.31 3.13 2.07 -0.66 0.14 116.25 121.17 1yuy h VAL 108 Ca -0.00 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.79 1yuy h VAL 108 Cb 0.71 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1yuy h VAL 108 CO 0.05 0.12 0.22 0.03 0.02 0.00 0.00 177.57 178.01 1yuy h ARG 109 N -0.92 0.10 -0.02 1.57 3.08 -0.78 0.75 114.38 118.15 1yuy h ARG 109 Ca -0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1yuy h ARG 109 Cb 0.51 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1yuy h ARG 109 CO 0.07 0.07 -0.04 -1.13 -1.07 0.00 0.00 179.97 177.86 1yuy n SER 110 N -4.47 1.62 -3.61 7.04 3.41 -0.49 -4.85 113.62 112.27 1yuy n SER 110 Ca 0.04 -1.48 -0.22 0.00 -0.26 0.00 0.00 58.87 56.95 1yuy n SER 110 Cb 0.32 0.02 0.06 0.00 -0.26 0.00 0.00 64.21 64.35 1yuy n SER 110 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1yuy n LEU 111 N 0.20 -3.44 -4.74 1.04 4.77 0.25 -4.95 117.00 110.14 1yuy n LEU 111 Ca 0.17 -0.67 -0.36 0.00 -0.03 0.00 0.00 56.01 55.13 1yuy n LEU 111 Cb 0.38 -2.91 0.05 0.00 -2.33 0.00 0.00 43.42 38.61 1yuy n LEU 111 CO 0.18 0.47 0.84 -0.94 -1.33 0.00 0.00 177.39 176.62 1yuy s SER 112 N -3.93 4.84 0.20 -1.43 1.04 0.40 -4.76 113.70 110.07 1yuy s SER 112 Ca 0.26 2.43 -0.10 0.00 0.48 0.00 0.00 55.95 59.01 1yuy s SER 112 Cb -0.12 -2.60 0.25 0.00 0.10 0.00 0.00 66.02 63.65 1yuy s SER 112 CO 0.76 -1.83 1.75 1.23 0.98 0.00 0.00 173.24 176.14 1yuy h GLY 113 N 0.53 0.82 0.64 7.32 0.00 -1.92 -0.43 103.07 110.04 1yuy h GLY 113 Ca -0.50 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 46.71 1yuy h GLY 113 CO 0.53 0.01 -0.21 -0.09 0.00 0.00 0.00 176.54 176.79 1yuy h ARG 114 N 0.43 -0.38 -0.16 4.80 2.43 -1.95 -0.43 114.38 119.12 1yuy h ARG 114 Ca 0.29 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1yuy h ARG 114 Cb 0.32 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1yuy h ARG 114 CO -0.27 -0.25 0.06 0.00 -1.51 0.00 0.00 179.97 178.00 1yuy h ALA 115 N 0.41 0.18 -0.50 2.80 0.00 -1.78 -2.13 119.26 118.24 1yuy h ALA 115 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yuy h ALA 115 Cb 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1yuy h ALA 115 CO -0.12 -0.37 0.31 0.28 0.00 0.00 0.00 179.25 179.36 1yuy h VAL 116 N 0.15 1.14 -0.11 0.00 2.07 -0.91 -1.61 116.25 116.98 1yuy h VAL 116 Ca 0.07 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1yuy h VAL 116 Cb 0.03 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1yuy h VAL 116 CO -0.06 0.14 -0.36 0.78 0.02 0.00 0.00 177.57 178.10 1yuy h ASN 117 N 0.67 0.23 -0.04 0.57 2.35 -0.97 -1.89 115.58 116.50 1yuy h ASN 117 Ca 0.18 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1yuy h ASN 117 Cb -0.04 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1yuy h ASN 117 CO -0.04 0.57 -0.13 -0.74 -1.65 0.00 0.00 177.43 175.44 1yuy h HIS 118 N 0.19 0.21 -0.97 1.19 2.76 -1.18 -2.95 115.15 114.39 1yuy h HIS 118 Ca 0.02 -0.08 0.14 0.00 -2.20 0.00 0.00 60.37 58.25 1yuy h HIS 118 Cb 0.72 -0.03 -0.08 0.00 1.55 0.00 0.00 27.41 29.57 1yuy h HIS 118 CO 0.01 0.76 0.61 0.82 -1.30 0.00 0.00 177.93 178.83 1yuy h ILE 119 N -0.41 0.86 -0.68 6.26 2.04 -1.23 -0.63 117.51 123.72 1yuy h ILE 119 Ca -0.01 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1yuy h ILE 119 Cb 0.77 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1yuy h ILE 119 CO 0.03 0.16 0.23 0.11 0.00 0.00 0.00 178.15 178.68 1yuy h LYS 120 N 0.87 1.03 -0.09 2.37 1.57 -1.32 -1.91 116.57 119.09 1yuy h LYS 120 Ca 0.50 -0.20 -0.18 0.00 -1.87 0.00 0.00 60.65 58.91 1yuy h LYS 120 Cb 0.63 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1yuy h LYS 120 CO -0.27 0.87 -0.69 0.66 -0.57 0.00 0.00 179.45 179.45 1yuy h SER 121 N 1.00 0.48 -0.79 0.86 4.64 -0.99 -1.98 113.55 116.76 1yuy h SER 121 Ca 0.22 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1yuy h SER 121 Cb 0.25 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 1yuy h SER 121 CO -0.01 1.02 0.42 0.58 -0.87 0.00 0.00 176.83 177.97 1yuy h VAL 122 N 0.29 1.24 -0.19 0.95 2.07 -0.94 -0.82 116.25 118.85 1yuy h VAL 122 Ca -0.02 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1yuy h VAL 122 Cb 1.25 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1yuy h VAL 122 CO 0.12 0.27 0.03 -0.25 0.02 0.00 0.00 177.57 177.76 1yuy h TRP 123 N 1.11 0.32 -0.85 1.57 2.91 -1.21 -1.74 115.95 118.06 1yuy h TRP 123 Ca 0.28 -0.04 0.02 0.00 1.13 0.00 0.00 58.89 60.28 1yuy h TRP 123 Cb 0.05 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 28.57 1yuy h TRP 123 CO 0.00 0.45 0.56 -0.22 -1.03 0.00 0.00 178.44 178.21 1yuy h LYS 124 N 0.10 1.07 -0.36 2.65 3.64 -1.10 -1.46 116.57 121.10 1yuy h LYS 124 Ca 0.06 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1yuy h LYS 124 Cb 0.30 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1yuy h LYS 124 CO 0.00 0.71 -0.10 0.22 -2.27 0.00 0.00 179.45 178.01 1yuy h ASP 125 N 1.10 0.61 -0.31 4.20 3.58 -0.89 -2.31 116.42 122.40 1yuy h ASP 125 Ca 0.33 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 1yuy h ASP 125 Cb -0.05 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 1yuy h ASP 125 CO -0.09 0.74 0.04 -0.07 -2.88 0.00 0.00 179.24 176.98 1yuy h LEU 126 N 0.57 0.58 -0.57 2.28 3.38 -0.37 -0.50 115.31 120.69 1yuy h LEU 126 Ca 0.10 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1yuy h LEU 126 Cb 0.51 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1yuy h LEU 126 CO 0.03 0.63 -0.71 -0.07 0.09 0.00 0.00 178.44 178.41 1yuy h LEU 127 N 0.60 0.06 0.00 1.67 3.38 -0.90 -3.31 115.31 116.80 1yuy h LEU 127 Ca 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1yuy h LEU 127 Cb 0.32 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1yuy h LEU 127 CO 0.01 0.75 -1.15 -1.84 0.09 0.00 0.00 178.44 176.30 1yuy n GLU 128 N -3.72 0.13 -3.85 1.13 0.28 -0.94 -4.86 120.64 108.81 1yuy n GLU 128 Ca -0.01 -0.03 -0.27 0.00 -0.16 0.00 0.00 57.16 56.69 1yuy n GLU 128 Cb 0.69 -1.50 -0.17 0.00 1.43 0.00 0.00 31.44 31.90 1yuy n GLU 128 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1yuy s ASP 129 N -3.22 2.53 -0.16 -1.84 3.68 -0.21 -5.00 116.67 112.44 1yuy s ASP 129 Ca 0.06 -0.53 0.17 0.00 2.13 0.00 0.00 52.55 54.38 1yuy s ASP 129 Cb 0.16 -0.77 0.43 0.00 -1.45 0.00 0.00 42.92 41.29 1yuy s ASP 129 CO 0.87 -0.20 1.31 -1.54 0.13 0.00 0.00 175.17 175.75 1yuy n SER 130 N 4.96 3.20 0.00 -0.34 3.41 -1.26 -4.53 113.62 119.06 1yuy n SER 130 Ca -0.11 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.43 1yuy n SER 130 Cb 0.48 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1yuy n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yuy n GLN 131 N -0.91 0.00 -1.58 4.33 6.02 -1.26 -4.54 117.38 119.44 1yuy n GLN 131 Ca 0.19 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.74 1yuy n GLN 131 Cb 0.79 -0.53 -0.04 0.00 1.02 0.00 0.00 30.24 31.48 1yuy n GLN 131 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1yuy n THR 132 N -2.68 0.35 -1.67 5.09 -1.04 -1.26 -4.64 114.28 108.42 1yuy n THR 132 Ca 0.00 -0.40 -0.44 0.00 -2.04 0.00 0.00 64.05 61.18 1yuy n THR 132 Cb 0.38 -2.37 -0.01 0.00 -1.82 0.00 0.00 70.33 66.51 1yuy n THR 132 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1yuy n PRO 133 N 8.52 1.97 -3.19 -2.82 -0.04 -1.26 -4.75 135.00 133.43 1yuy n PRO 133 Ca 0.31 0.69 -0.39 0.00 -0.04 0.00 0.00 63.50 64.08 1yuy n PRO 133 Cb 0.40 -2.27 -0.05 0.00 -0.04 0.00 0.00 33.50 31.54 1yuy n PRO 133 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1yuy s ILE 134 N -0.74 5.12 0.54 0.52 1.01 0.95 -4.92 121.20 123.69 1yuy s ILE 134 Ca 0.60 1.17 -0.20 0.00 0.00 0.00 0.00 60.65 62.23 1yuy s ILE 134 Cb -0.62 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 1yuy s ILE 134 CO 0.58 0.28 1.16 -2.16 0.00 0.00 0.00 174.94 174.80 1yuy s PRO 135 N 0.77 3.30 0.19 2.79 0.04 -1.26 -4.44 135.00 136.40 1yuy s PRO 135 Ca 0.31 1.72 0.02 0.00 0.04 0.00 0.00 61.00 63.09 1yuy s PRO 135 Cb -0.16 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1yuy s PRO 135 CO 0.14 -0.91 -0.00 0.95 0.04 0.00 0.00 177.00 177.21 1yuy s THR 136 N -1.67 0.81 -0.08 1.26 -4.23 -0.74 -4.37 115.64 106.62 1yuy s THR 136 Ca 0.73 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 1yuy s THR 136 Cb -0.27 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 1yuy s THR 136 CO 0.30 -0.43 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.95 1yuy s THR 137 N -3.57 3.31 -0.12 3.99 2.01 0.25 -0.80 115.64 120.72 1yuy s THR 137 Ca 0.25 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 1yuy s THR 137 Cb 0.06 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1yuy s THR 137 CO 0.06 0.57 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.95 1yuy s ILE 138 N -0.47 3.33 0.07 1.82 2.07 -0.53 -1.78 121.20 125.70 1yuy s ILE 138 Ca 0.06 -0.58 0.00 0.00 -1.41 0.00 0.00 60.65 58.73 1yuy s ILE 138 Cb -0.12 -2.40 -0.04 0.00 0.13 0.00 0.00 42.46 40.04 1yuy s ILE 138 CO 0.02 0.54 -0.04 -0.04 -1.91 0.00 0.00 174.94 173.50 1yuy s MET 139 N 0.03 0.67 -0.15 3.50 -1.94 -0.41 -4.38 119.30 116.61 1yuy s MET 139 Ca -0.03 -1.21 -0.15 0.00 -1.71 0.00 0.00 55.69 52.59 1yuy s MET 139 Cb -0.14 0.04 -0.05 0.00 2.01 0.00 0.00 34.83 36.69 1yuy s MET 139 CO 0.04 -0.07 0.33 0.00 -0.01 0.00 0.00 175.02 175.31 1yuy s ALA 140 N -3.59 3.57 0.47 3.03 0.00 -1.26 -0.95 121.76 123.02 1yuy s ALA 140 Ca 0.07 -0.41 -0.21 0.00 0.00 0.00 0.00 51.96 51.42 1yuy s ALA 140 Cb 0.05 -2.44 -0.09 0.00 0.00 0.00 0.00 23.12 20.64 1yuy s ALA 140 CO -0.07 0.07 1.01 0.15 0.00 0.00 0.00 175.76 176.92 1yuy s LYS 141 N 0.51 3.94 -0.46 0.00 1.02 0.37 -4.76 119.74 120.35 1yuy s LYS 141 Ca 0.18 1.29 -0.08 0.00 0.02 0.00 0.00 55.97 57.38 1yuy s LYS 141 Cb -0.13 -2.13 0.12 0.00 -0.52 0.00 0.00 37.83 35.16 1yuy s LYS 141 CO 0.05 -0.30 0.33 -0.80 -0.92 0.00 0.00 175.35 173.70 1yuy s ASN 142 N -2.03 5.64 0.04 2.83 0.01 -1.26 -4.28 114.94 115.90 1yuy s ASN 142 Ca 0.65 -1.94 0.07 0.00 -0.71 0.00 0.00 52.86 50.94 1yuy s ASN 142 Cb -0.14 -1.99 -0.02 0.00 0.41 0.00 0.00 41.25 39.51 1yuy s ASN 142 CO 0.18 -0.67 -0.21 -1.61 -1.51 0.00 0.00 177.10 173.28 1yuy s GLU 143 N 1.32 1.41 -0.08 -0.60 2.02 -1.25 -4.85 118.70 116.68 1yuy s GLU 143 Ca 0.06 -0.93 -0.11 0.00 0.02 0.00 0.00 54.97 54.01 1yuy s GLU 143 Cb -0.26 -1.52 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 1yuy s GLU 143 CO -0.01 0.39 0.27 0.08 0.02 0.00 0.00 175.26 176.01 1yuy s VAL 144 N -0.78 5.28 0.24 2.63 1.01 -1.26 -0.35 120.40 127.17 1yuy s VAL 144 Ca 0.08 0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.52 1yuy s VAL 144 Cb -0.09 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1yuy s VAL 144 CO 0.02 0.57 0.31 -0.36 0.00 0.00 0.00 175.10 175.63 1yuy s PHE 145 N -0.80 0.88 -0.11 5.22 0.40 -0.29 -4.77 117.98 118.51 1yuy s PHE 145 Ca 0.19 -1.14 -0.03 0.00 -0.60 0.00 0.00 56.93 55.35 1yuy s PHE 145 Cb -0.14 -0.23 -0.03 0.00 0.51 0.00 0.00 43.02 43.12 1yuy s PHE 145 CO 0.08 -0.84 0.00 0.00 0.70 0.00 0.00 175.22 175.16 1yuy n VAL 147 N 2.52 0.00 -2.59 0.00 0.24 0.92 -4.99 118.33 114.42 1yuy n VAL 147 Ca -0.18 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.34 61.93 1yuy n VAL 147 Cb 0.53 -0.87 0.04 0.00 -1.47 0.00 0.00 33.84 32.07 1yuy n VAL 147 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1yuy n ASP 148 N -3.36 -3.66 -4.73 -1.34 4.64 -1.26 -5.07 116.55 101.77 1yuy n ASP 148 Ca 0.09 -0.38 -0.22 0.00 -1.38 0.00 0.00 54.79 52.90 1yuy n ASP 148 Cb 0.53 -3.10 -0.06 0.00 -1.04 0.00 0.00 41.12 37.45 1yuy n ASP 148 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1yuy s LYS 154 N -4.13 2.56 0.37 -0.67 1.02 -1.26 -5.21 119.74 112.43 1yuy s LYS 154 Ca 0.16 -1.29 -0.24 0.00 0.02 0.00 0.00 55.97 54.62 1yuy s LYS 154 Cb -0.02 -2.33 -0.10 0.00 -0.52 0.00 0.00 37.83 34.86 1yuy s LYS 154 CO 0.41 0.33 0.99 0.15 -0.92 0.00 0.00 175.35 176.31 1yuy s LYS 155 N -3.77 4.36 0.40 1.68 1.02 -1.26 -5.04 119.74 117.12 1yuy s LYS 155 Ca 0.33 1.36 -0.19 0.00 0.02 0.00 0.00 55.97 57.49 1yuy s LYS 155 Cb -0.06 -2.58 -0.10 0.00 -0.52 0.00 0.00 37.83 34.56 1yuy s LYS 155 CO 0.22 0.06 0.88 0.00 -0.92 0.00 0.00 175.35 175.60 1yuy s ALA 156 N -1.74 3.13 0.49 5.17 0.00 -1.26 -4.85 121.76 122.70 1yuy s ALA 156 Ca 0.55 0.27 -0.23 0.00 0.00 0.00 0.00 51.96 52.55 1yuy s ALA 156 Cb -0.18 -3.02 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 1yuy s ALA 156 CO 0.23 0.18 1.37 0.00 0.00 0.00 0.00 175.76 177.54 1yuy s ALA 157 N -2.14 3.02 0.47 0.00 0.00 -1.26 -4.97 121.76 116.88 1yuy s ALA 157 Ca 0.59 1.36 -0.19 0.00 0.00 0.00 0.00 51.96 53.72 1yuy s ALA 157 Cb -0.09 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 1yuy s ALA 157 CO 0.15 -1.23 0.97 1.03 0.00 0.00 0.00 175.76 176.69 1yuy s ARG 158 N -2.67 4.05 -0.12 0.00 0.52 -1.26 -4.69 118.95 114.77 1yuy s ARG 158 Ca 0.66 1.09 -0.04 0.00 -0.52 0.00 0.00 55.73 56.92 1yuy s ARG 158 Cb -0.41 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 1yuy s ARG 158 CO 0.50 -0.18 0.01 -0.51 0.02 0.00 0.00 175.30 175.14 1yuy s LEU 159 N -3.57 3.55 -0.10 2.53 1.43 -1.26 -0.48 118.68 120.78 1yuy s LEU 159 Ca 0.61 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 1yuy s LEU 159 Cb -0.10 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1yuy s LEU 159 CO 0.21 0.28 -0.18 -0.51 0.23 0.00 0.00 176.35 176.38 1yuy s ILE 160 N -0.29 2.59 -0.17 -0.59 1.10 -0.13 -4.85 121.20 118.87 1yuy s ILE 160 Ca 0.06 -0.84 0.01 0.00 -0.51 0.00 0.00 60.65 59.37 1yuy s ILE 160 Cb -0.12 -2.03 0.02 0.00 0.15 0.00 0.00 42.46 40.47 1yuy s ILE 160 CO 0.02 0.55 -0.19 -0.69 -2.11 0.00 0.00 174.94 172.52 1yuy s VAL 161 N 0.20 1.94 0.02 4.00 1.01 -1.26 -1.29 120.40 125.02 1yuy s VAL 161 Ca -0.11 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 1yuy s VAL 161 Cb -0.16 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 1yuy s VAL 161 CO 0.06 0.52 0.15 -0.72 0.00 0.00 0.00 175.10 175.11 1yuy s TYR 162 N 1.25 0.08 0.70 5.22 -0.85 -0.74 -0.35 117.35 122.67 1yuy s TYR 162 Ca 0.03 -0.26 -0.05 0.00 -0.52 0.00 0.00 57.07 56.27 1yuy s TYR 162 Cb -0.13 -0.06 0.07 0.00 0.38 0.00 0.00 41.96 42.22 1yuy s TYR 162 CO -0.11 -0.35 0.99 -1.25 -1.52 0.00 0.00 175.55 173.31 1yuy s PRO 163 N -2.05 2.09 0.72 -3.49 0.04 -1.26 -0.58 135.00 130.46 1yuy s PRO 163 Ca -0.09 -0.45 -0.16 0.00 0.04 0.00 0.00 61.00 60.34 1yuy s PRO 163 Cb -0.04 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1yuy s PRO 163 CO -0.02 -1.25 1.23 0.34 0.04 0.00 0.00 177.00 177.35 1yuy s ASP 164 N -4.55 4.16 0.27 6.66 2.15 -1.26 -4.73 116.67 119.37 1yuy s ASP 164 Ca 0.61 2.45 -0.01 0.00 0.43 0.00 0.00 52.55 56.03 1yuy s ASP 164 Cb -0.10 -2.60 0.58 0.00 -0.30 0.00 0.00 42.92 40.50 1yuy s ASP 164 CO 0.44 -2.29 1.69 0.25 -0.17 0.00 0.00 175.17 175.09 1yuy h LEU 165 N -0.18 0.16 -1.22 -1.34 5.85 -1.82 0.11 115.31 116.86 1yuy h LEU 165 Ca -0.48 0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.50 1yuy h LEU 165 Cb 1.31 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.44 1yuy h LEU 165 CO 0.50 -0.01 0.57 1.23 -0.34 0.00 0.00 178.44 180.39 1yuy h GLY 166 N 0.34 1.27 1.50 3.75 0.00 -1.95 -1.40 103.07 106.57 1yuy h GLY 166 Ca 0.48 -0.34 -0.22 0.00 0.00 0.00 0.00 47.33 47.24 1yuy h GLY 166 CO -0.52 0.16 -0.91 -2.08 0.00 0.00 0.00 176.54 173.19 1yuy h VAL 167 N 0.82 1.38 -0.19 4.60 2.07 -1.35 -3.05 116.25 120.53 1yuy h VAL 167 Ca 0.43 -2.36 -0.03 0.00 0.82 0.00 0.00 66.70 65.56 1yuy h VAL 167 Cb 0.52 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1yuy h VAL 167 CO -0.19 0.71 -0.03 0.03 0.02 0.00 0.00 177.57 178.11 1yuy h ARG 168 N 0.27 0.28 -0.23 1.57 3.08 -0.46 -0.75 114.38 118.14 1yuy h ARG 168 Ca -0.08 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.78 1yuy h ARG 168 Cb 1.54 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1yuy h ARG 168 CO 0.16 0.33 -0.43 0.28 -1.07 0.00 0.00 179.97 179.24 1yuy h VAL 169 N 0.27 1.31 -0.32 2.04 2.07 -1.40 -3.03 116.25 117.19 1yuy h VAL 169 Ca 0.06 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 65.92 1yuy h VAL 169 Cb 0.23 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1yuy h VAL 169 CO 0.01 0.52 0.08 0.00 0.02 0.00 0.00 177.57 178.20 1yuy h GLU 171 N 0.46 1.03 -0.46 0.00 5.08 -1.07 -1.88 114.58 117.74 1yuy h GLU 171 Ca 0.11 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1yuy h GLU 171 Cb 0.17 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1yuy h GLU 171 CO -0.00 0.82 0.25 0.87 -1.00 0.00 0.00 179.01 179.95 1yuy h LYS 172 N 1.00 0.65 -0.93 2.33 1.57 -1.29 0.30 116.57 120.19 1yuy h LYS 172 Ca 0.24 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1yuy h LYS 172 Cb 0.14 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 1yuy h LYS 172 CO -0.03 0.52 0.62 0.52 -0.57 0.00 0.00 179.45 180.51 1yuy h MET 173 N 0.61 1.23 0.14 3.15 2.86 -1.15 -0.06 114.93 121.71 1yuy h MET 173 Ca 0.16 -0.08 -0.29 0.00 -2.06 0.00 0.00 59.70 57.44 1yuy h MET 173 Cb 0.06 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.45 1yuy h MET 173 CO -0.03 0.81 -1.36 0.00 1.06 0.00 0.00 176.91 177.40 1yuy h ALA 174 N 1.34 0.13 0.00 6.32 0.00 -1.04 -0.13 119.26 125.88 1yuy h ALA 174 Ca 0.34 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1yuy h ALA 174 Cb -0.14 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1yuy h ALA 174 CO -0.07 1.00 0.00 1.28 0.00 0.00 0.00 179.25 181.46 1yuy n LEU 175 N -3.52 0.29 -0.06 0.00 4.77 0.10 -4.81 117.00 113.77 1yuy n LEU 175 Ca -0.12 -0.51 -0.07 0.00 -0.03 0.00 0.00 56.01 55.28 1yuy n LEU 175 Cb 1.04 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.11 1yuy n LEU 175 CO 0.53 0.07 0.82 0.22 -1.33 0.00 0.00 177.39 177.71 1yuy h TYR 176 N 0.00 -0.12 -0.96 -1.77 5.03 -1.08 -1.50 116.97 116.55 1yuy h TYR 176 Ca 0.00 0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.44 1yuy h TYR 176 Cb 0.06 0.09 -0.07 0.00 1.55 0.00 0.00 36.73 38.36 1yuy h TYR 176 CO 0.00 -0.10 0.62 0.22 -1.32 0.00 0.00 178.16 177.57 1yuy h ASP 177 N 0.00 0.90 -0.49 -2.11 3.58 -1.79 -1.20 116.42 115.31 1yuy h ASP 177 Ca 0.12 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1yuy h ASP 177 Cb 0.18 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1yuy h ASP 177 CO -0.25 0.51 0.29 0.58 -2.88 0.00 0.00 179.24 177.49 1yuy h VAL 178 N 0.98 1.16 0.00 2.25 2.07 -1.61 -2.10 116.25 119.00 1yuy h VAL 178 Ca 0.46 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1yuy h VAL 178 Cb 0.41 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1yuy h VAL 178 CO -0.21 0.16 -0.01 0.71 0.02 0.00 0.00 177.57 178.24 1yuy h THR 179 N 0.65 0.20 0.00 2.57 1.35 -0.34 -0.48 112.91 116.86 1yuy h THR 179 Ca 0.17 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1yuy h THR 179 Cb 0.01 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1yuy h THR 179 CO -0.03 0.01 -0.37 1.56 -0.25 0.00 0.00 175.52 176.43 1yuy h GLN 180 N 0.00 0.00 0.00 4.72 1.08 -1.07 -3.42 115.11 116.42 1yuy h GLN 180 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1yuy h GLN 180 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1yuy h GLN 180 CO 0.00 0.00 -0.69 1.63 -0.95 0.00 0.00 178.83 178.82 1yuy n LYS 181 N -2.31 0.71 0.00 1.46 5.02 -0.67 -4.89 118.16 117.47 1yuy n LYS 181 Ca 0.04 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 1yuy n LYS 181 Cb 0.45 -0.85 -0.04 0.00 -0.02 0.00 0.00 35.03 34.58 1yuy n LYS 181 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1yuy h LEU 182 N 0.00 -0.27 -0.52 -0.35 5.85 -1.37 -2.32 115.31 116.33 1yuy h LEU 182 Ca 0.00 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.87 1yuy h LEU 182 Cb 0.69 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 1yuy h LEU 182 CO 0.00 -0.12 0.11 -0.65 -0.34 0.00 0.00 178.44 177.44 1yuy h PRO 183 N -0.10 0.24 -0.67 5.25 0.11 -1.82 -1.50 132.00 133.50 1yuy h PRO 183 Ca 0.07 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 1yuy h PRO 183 Cb 0.20 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 1yuy h PRO 183 CO -0.17 0.16 0.17 1.96 -0.21 0.00 0.00 178.00 179.91 1yuy h GLN 184 N 0.24 1.07 -0.88 1.05 7.50 -1.84 -0.53 115.11 121.73 1yuy h GLN 184 Ca 0.27 -0.25 -0.00 0.00 0.50 0.00 0.00 58.65 59.16 1yuy h GLN 184 Cb 0.37 -0.14 -0.04 0.00 0.05 0.00 0.00 27.48 27.71 1yuy h GLN 184 CO -0.35 0.95 0.54 0.00 -1.50 0.00 0.00 178.83 178.47 1yuy h ALA 185 N 1.07 1.28 0.00 3.87 0.00 -0.77 0.56 119.26 125.28 1yuy h ALA 185 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1yuy h ALA 185 Cb 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yuy h ALA 185 CO 0.00 0.62 -1.07 1.33 0.00 0.00 0.00 179.25 180.13 1yuy n VAL 186 N -4.37 0.03 0.00 0.00 0.24 -0.64 -4.54 118.33 109.05 1yuy n VAL 186 Ca 0.10 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1yuy n VAL 186 Cb 0.06 0.63 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 1yuy n VAL 186 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1yuy n MET 187 N -1.68 0.94 0.00 7.34 0.00 -0.22 -4.93 117.12 118.57 1yuy n MET 187 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.73 1yuy n MET 187 Cb 0.38 -0.97 0.00 0.00 0.00 0.00 0.00 33.22 32.63 1yuy n MET 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1yuy n GLY 188 N 2.46 3.22 0.15 -5.12 0.00 0.20 -2.15 105.19 103.95 1yuy n GLY 188 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.86 1yuy n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yuy n ALA 189 N 10.23 1.07 0.78 4.61 0.00 -1.26 -2.04 120.51 133.90 1yuy n ALA 189 Ca 0.00 0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1yuy n ALA 189 Cb 0.00 -1.31 0.51 0.00 0.00 0.00 0.00 19.45 18.65 1yuy n ALA 189 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yuy n SER 190 N -2.22 0.22 -4.59 0.00 7.64 -0.91 -4.69 113.62 109.06 1yuy n SER 190 Ca -0.01 0.53 -0.43 0.00 1.01 0.00 0.00 58.87 59.97 1yuy n SER 190 Cb 0.04 -0.58 -0.02 0.00 -1.01 0.00 0.00 64.21 62.64 1yuy n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1yuy s TYR 191 N -3.05 2.55 0.24 1.43 5.04 -0.87 -0.55 117.35 122.16 1yuy s TYR 191 Ca 0.11 0.61 -0.01 0.00 -2.44 0.00 0.00 57.07 55.34 1yuy s TYR 191 Cb 0.15 -4.41 0.28 0.00 0.35 0.00 0.00 41.96 38.33 1yuy s TYR 191 CO 0.48 -1.68 1.67 0.78 -1.34 0.00 0.00 175.55 175.46 1yuy h GLY 192 N 12.00 0.70 1.96 8.97 0.00 -1.15 -3.28 103.07 122.27 1yuy h GLY 192 Ca -0.25 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1yuy h GLY 192 CO 1.13 0.54 0.00 0.69 0.00 0.00 0.00 176.54 178.90 1yuy n PHE 193 N -4.11 0.00 0.99 5.60 3.72 -1.26 -2.17 117.46 120.23 1yuy n PHE 193 Ca -0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1yuy n PHE 193 Cb 0.42 -0.48 0.53 0.00 -0.94 0.00 0.00 39.48 39.01 1yuy n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yuy n GLN 194 N -1.48 0.00 -3.97 -1.08 10.64 -1.24 -3.24 117.38 117.02 1yuy n GLN 194 Ca 0.02 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.85 1yuy n GLN 194 Cb 0.09 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 27.91 1yuy n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1yuy s TYR 195 N -3.00 3.49 0.75 2.61 4.12 -0.92 -4.52 117.35 119.87 1yuy s TYR 195 Ca 0.13 0.37 -0.09 0.00 0.02 0.00 0.00 57.07 57.50 1yuy s TYR 195 Cb 0.19 -1.84 0.07 0.00 -1.52 0.00 0.00 41.96 38.86 1yuy s TYR 195 CO 0.57 0.65 1.08 -1.54 0.02 0.00 0.00 175.55 176.33 1yuy s SER 196 N -1.56 4.65 0.23 2.29 1.04 -1.26 -4.79 113.70 114.31 1yuy s SER 196 Ca 0.22 0.57 -0.06 0.00 0.48 0.00 0.00 55.95 57.15 1yuy s SER 196 Cb -0.12 -1.14 0.35 0.00 0.10 0.00 0.00 66.02 65.20 1yuy s SER 196 CO 0.12 -1.74 1.79 -0.65 0.98 0.00 0.00 173.24 173.74 1yuy h PRO 197 N -0.80 0.63 -0.40 4.02 0.11 -1.91 -0.44 132.00 133.21 1yuy h PRO 197 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1yuy h PRO 197 Cb 1.32 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1yuy h PRO 197 CO 0.62 0.42 0.02 0.00 -0.21 0.00 0.00 178.00 178.84 1yuy h ALA 198 N 1.43 1.28 -0.06 -0.75 0.00 -1.93 -1.41 119.26 117.82 1yuy h ALA 198 Ca 0.36 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1yuy h ALA 198 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1yuy h ALA 198 CO -0.26 0.49 -0.64 1.96 0.00 0.00 0.00 179.25 180.80 1yuy h GLN 199 N 0.60 0.24 -0.40 0.00 4.20 -1.71 -1.34 115.11 116.69 1yuy h GLN 199 Ca 0.13 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1yuy h GLN 199 Cb 0.35 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1yuy h GLN 199 CO 0.01 0.80 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.81 1yuy h ARG 200 N 0.17 0.76 -0.11 1.46 2.43 -0.67 -0.77 114.38 117.64 1yuy h ARG 200 Ca -0.01 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1yuy h ARG 200 Cb 1.16 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1yuy h ARG 200 CO 0.10 0.87 0.06 0.28 -1.51 0.00 0.00 179.97 179.77 1yuy h VAL 201 N 0.58 1.01 -0.67 0.20 2.07 -1.11 -1.36 116.25 116.96 1yuy h VAL 201 Ca 0.11 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1yuy h VAL 201 Cb 0.57 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1yuy h VAL 201 CO 0.03 0.02 0.39 -0.08 0.02 0.00 0.00 177.57 177.95 1yuy h GLU 202 N 0.13 0.70 -0.01 1.57 4.81 -1.04 -0.84 114.58 119.90 1yuy h GLU 202 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1yuy h GLU 202 Cb 0.00 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1yuy h GLU 202 CO -0.02 0.47 0.01 0.35 -0.73 0.00 0.00 179.01 179.08 1yuy h PHE 203 N 0.73 0.02 -0.62 0.92 3.57 -0.81 -1.17 116.94 119.58 1yuy h PHE 203 Ca 0.29 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 1yuy h PHE 203 Cb 0.15 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1yuy h PHE 203 CO -0.07 0.04 0.20 -0.07 -2.23 0.00 0.00 178.31 176.17 1yuy h LEU 204 N -0.01 0.89 -0.65 0.59 3.38 -0.95 -0.36 115.31 118.20 1yuy h LEU 204 Ca 0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1yuy h LEU 204 Cb 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1yuy h LEU 204 CO -0.00 0.86 0.25 -0.07 0.09 0.00 0.00 178.44 179.57 1yuy h LEU 205 N 0.88 0.91 -0.35 1.67 3.38 -1.08 -0.73 115.31 119.98 1yuy h LEU 205 Ca 0.20 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1yuy h LEU 205 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1yuy h LEU 205 CO -0.01 0.84 0.10 0.50 0.09 0.00 0.00 178.44 179.96 1yuy h LYS 206 N 0.92 0.56 -0.71 1.13 3.64 -0.95 -0.54 116.57 120.63 1yuy h LYS 206 Ca 0.22 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1yuy h LYS 206 Cb 0.22 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1yuy h LYS 206 CO -0.02 0.60 0.23 0.00 -2.27 0.00 0.00 179.45 178.00 1yuy h ALA 207 N 0.94 1.07 -0.27 5.00 0.00 -0.87 -1.42 119.26 123.71 1yuy h ALA 207 Ca 0.11 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1yuy h ALA 207 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1yuy h ALA 207 CO -0.00 0.64 -0.10 2.35 0.00 0.00 0.00 179.25 182.14 1yuy h TRP 208 N 1.05 0.61 0.00 0.00 2.91 -0.95 -3.18 115.95 116.38 1yuy h TRP 208 Ca 0.23 -0.14 -0.06 0.00 1.13 0.00 0.00 58.89 60.05 1yuy h TRP 208 Cb 0.28 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.77 1yuy h TRP 208 CO 0.02 0.77 -0.30 0.00 -1.03 0.00 0.00 178.44 177.90 1yuy h ALA 209 N 0.75 1.11 0.00 2.65 0.00 -0.92 -2.99 119.26 119.86 1yuy h ALA 209 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1yuy h ALA 209 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1yuy h ALA 209 CO 0.03 0.38 0.00 -0.85 0.00 0.00 0.00 179.25 178.81 1yuy n GLU 210 N -3.62 0.29 -3.54 0.00 0.28 -0.55 -4.74 120.64 108.77 1yuy n GLU 210 Ca -0.01 0.03 -0.37 0.00 -0.16 0.00 0.00 57.16 56.65 1yuy n GLU 210 Cb 0.43 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.74 1yuy n GLU 210 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1yuy s LYS 211 N -2.68 3.84 0.13 3.44 -0.14 -1.13 -4.98 119.74 118.22 1yuy s LYS 211 Ca 0.23 0.31 -0.12 0.00 -1.36 0.00 0.00 55.97 55.03 1yuy s LYS 211 Cb 0.18 -3.14 -0.08 0.00 -1.68 0.00 0.00 37.83 33.11 1yuy s LYS 211 CO 0.44 0.65 1.42 0.87 -0.76 0.00 0.00 175.35 177.97 1yuy h LYS 212 N 4.37 0.88 -2.25 1.68 1.57 -1.87 -3.37 116.57 117.57 1yuy h LYS 212 Ca -0.51 -0.53 -0.58 0.00 -1.87 0.00 0.00 60.65 57.16 1yuy h LYS 212 Cb 1.21 0.05 -0.39 0.00 0.08 0.00 0.00 32.23 33.18 1yuy h LYS 212 CO 0.63 1.17 -0.98 -3.47 -0.57 0.00 0.00 179.45 176.24 1yuy n ASP 213 N -4.04 0.35 -4.70 0.86 2.03 -1.26 -5.09 116.55 104.70 1yuy n ASP 213 Ca -0.04 -2.64 -0.41 0.00 0.52 0.00 0.00 54.79 52.21 1yuy n ASP 213 Cb 0.60 -0.61 0.01 0.00 -0.72 0.00 0.00 41.12 40.40 1yuy n ASP 213 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1yuy n PRO 214 N 2.03 1.98 -3.78 -0.67 -0.04 -1.26 -0.05 135.00 133.21 1yuy n PRO 214 Ca 0.25 0.70 -0.13 0.00 -0.04 0.00 0.00 63.50 64.29 1yuy n PRO 214 Cb 0.49 -2.36 -0.14 0.00 -0.04 0.00 0.00 33.50 31.45 1yuy n PRO 214 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1yuy s MET 215 N -2.11 0.14 0.16 0.54 1.75 -0.60 -4.68 119.30 114.48 1yuy s MET 215 Ca 0.59 0.32 0.05 0.00 -1.25 0.00 0.00 55.69 55.40 1yuy s MET 215 Cb -0.52 -0.07 -0.04 0.00 2.84 0.00 0.00 34.83 37.03 1yuy s MET 215 CO 0.59 -0.11 -0.11 0.20 -0.65 0.00 0.00 175.02 174.95 1yuy s GLY 216 N 0.74 1.13 -0.07 2.11 0.00 -0.34 -0.91 107.32 109.98 1yuy s GLY 216 Ca -0.05 -1.51 -0.30 0.00 0.00 0.00 0.00 44.72 42.85 1yuy s GLY 216 CO -0.04 -1.61 0.67 -0.11 0.00 0.00 0.00 173.10 172.01 1yuy s PHE 217 N -3.23 -0.65 -0.07 1.90 -0.12 -0.69 0.06 117.98 115.18 1yuy s PHE 217 Ca 0.17 1.16 0.01 0.00 -0.05 0.00 0.00 56.93 58.23 1yuy s PHE 217 Cb 0.02 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.77 1yuy s PHE 217 CO 0.02 -0.59 -0.09 -1.54 -0.05 0.00 0.00 175.22 172.97 1yuy s SER 218 N -1.08 4.50 -0.21 1.98 1.04 -1.26 -0.82 113.70 117.84 1yuy s SER 218 Ca -0.10 -0.07 -0.05 0.00 0.48 0.00 0.00 55.95 56.22 1yuy s SER 218 Cb -0.01 -1.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.00 1yuy s SER 218 CO 0.09 0.35 -0.02 -0.47 0.98 0.00 0.00 173.24 174.18 1yuy s TYR 219 N -0.77 2.99 -0.46 5.02 6.14 -0.56 -4.64 117.35 125.09 1yuy s TYR 219 Ca 0.12 -0.71 -0.13 0.00 0.64 0.00 0.00 57.07 56.99 1yuy s TYR 219 Cb -0.11 -2.11 0.08 0.00 0.42 0.00 0.00 41.96 40.24 1yuy s TYR 219 CO 0.01 -0.42 0.35 0.34 0.64 0.00 0.00 175.55 176.47 1yuy s ASP 220 N 1.31 5.93 0.03 4.32 3.68 -1.26 -4.09 116.67 126.59 1yuy s ASP 220 Ca 0.04 -1.44 -0.30 0.00 2.13 0.00 0.00 52.55 52.97 1yuy s ASP 220 Cb -0.14 -2.10 -0.04 0.00 -1.45 0.00 0.00 42.92 39.19 1yuy s ASP 220 CO -0.00 -0.62 0.99 -0.89 0.13 0.00 0.00 175.17 174.77 1yuy s THR 221 N 1.54 4.75 -0.21 1.71 2.01 -1.26 -0.12 115.64 124.06 1yuy s THR 221 Ca 0.04 2.04 -0.29 0.00 0.31 0.00 0.00 61.69 63.78 1yuy s THR 221 Cb -0.24 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 1yuy s THR 221 CO 0.04 0.19 1.54 -0.60 -0.69 0.00 0.00 174.62 175.11 1yuy s ARG 222 N 0.79 3.89 -0.92 4.92 3.00 -0.51 -3.71 118.95 126.40 1yuy s ARG 222 Ca 0.51 1.65 -0.08 0.00 -1.00 0.00 0.00 55.73 56.81 1yuy s ARG 222 Cb -0.22 -3.98 -0.00 0.00 0.00 0.00 0.00 34.95 30.75 1yuy s ARG 222 CO 0.28 -1.17 0.70 0.00 0.00 0.00 0.00 175.30 175.11 1yuy h PHE 224 N -0.70 -0.72 -0.97 0.00 3.57 -1.96 -1.60 116.94 114.56 1yuy h PHE 224 Ca -0.47 0.05 0.23 0.00 3.53 0.00 0.00 57.97 61.30 1yuy h PHE 224 Cb 1.28 0.37 -0.12 0.00 2.79 0.00 0.00 35.95 40.26 1yuy h PHE 224 CO 0.26 -0.34 0.55 -0.44 -2.23 0.00 0.00 178.31 176.11 1yuy h ASP 225 N -0.24 0.62 1.26 0.41 3.45 -1.92 0.16 116.42 120.16 1yuy h ASP 225 Ca 0.16 0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.75 1yuy h ASP 225 Cb 0.49 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1yuy h ASP 225 CO -0.46 0.11 0.00 0.28 -1.57 0.00 0.00 179.24 177.60 1yuy h SER 226 N 0.58 0.00 1.09 6.45 0.02 -1.61 -2.56 113.55 117.52 1yuy h SER 226 Ca 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 1yuy h SER 226 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1yuy h SER 226 CO -0.47 0.00 -0.42 0.71 -1.14 0.00 0.00 176.83 175.52 1yuy h THR 227 N 0.00 0.00 -2.82 -2.27 1.35 -0.33 -3.44 112.91 105.40 1yuy h THR 227 Ca 0.00 -0.51 -0.56 0.00 -0.55 0.00 0.00 66.41 64.80 1yuy h THR 227 Cb 0.63 1.23 -0.03 0.00 -1.73 0.00 0.00 68.15 68.25 1yuy h THR 227 CO 0.00 0.00 0.94 -0.69 -0.25 0.00 0.00 175.52 175.52 1yuy s VAL 228 N -3.15 4.00 0.57 6.82 1.01 -1.07 -4.78 120.40 123.80 1yuy s VAL 228 Ca 0.08 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.28 1yuy s VAL 228 Cb 0.13 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1yuy s VAL 228 CO 0.68 -0.09 0.82 0.42 0.00 0.00 0.00 175.10 176.93 1yuy s THR 229 N 3.49 2.92 0.24 3.92 -4.23 -1.26 -3.90 115.64 116.82 1yuy s THR 229 Ca 0.62 -0.48 -0.06 0.00 -1.18 0.00 0.00 61.69 60.58 1yuy s THR 229 Cb -0.27 -3.13 0.19 0.00 1.34 0.00 0.00 72.50 70.64 1yuy s THR 229 CO 0.21 -0.11 1.84 -0.33 -0.54 0.00 0.00 174.62 175.69 1yuy h GLU 230 N -0.04 1.20 -0.74 3.99 5.08 -1.86 -1.72 114.58 120.50 1yuy h GLU 230 Ca -0.44 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 57.72 1yuy h GLU 230 Cb 1.29 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1yuy h GLU 230 CO 0.56 0.91 0.30 -0.09 -1.00 0.00 0.00 179.01 179.68 1yuy h ARG 231 N 1.20 1.09 -0.72 2.33 2.43 -1.95 -1.07 114.38 117.69 1yuy h ARG 231 Ca 0.29 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1yuy h ARG 231 Cb 0.09 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1yuy h ARG 231 CO -0.04 0.88 0.45 -0.44 -1.51 0.00 0.00 179.97 179.32 1yuy h ASP 232 N 1.07 0.86 0.20 -3.80 3.32 -1.72 -0.20 116.42 116.14 1yuy h ASP 232 Ca 0.25 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 1yuy h ASP 232 Cb 0.20 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1yuy h ASP 232 CO -0.02 0.65 -0.52 0.40 -1.72 0.00 0.00 179.24 178.03 1yuy h ILE 233 N 0.99 1.34 0.00 0.35 2.04 -0.91 -0.92 117.51 120.40 1yuy h ILE 233 Ca 0.26 -1.78 -0.14 0.00 1.00 0.00 0.00 64.86 64.20 1yuy h ILE 233 Cb -0.06 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1yuy h ILE 233 CO -0.05 0.54 -0.67 0.03 0.00 0.00 0.00 178.15 177.99 1yuy h ARG 234 N 0.28 0.00 -0.18 2.37 3.08 -0.93 -2.40 114.38 116.60 1yuy h ARG 234 Ca 0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1yuy h ARG 234 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1yuy h ARG 234 CO 0.09 0.67 -0.48 1.15 -1.07 0.00 0.00 179.97 180.32 1yuy h THR 235 N 0.00 1.32 -0.59 2.04 2.02 -0.68 -2.03 112.91 114.99 1yuy h THR 235 Ca -0.01 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.46 1yuy h THR 235 Cb 1.20 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 69.29 1yuy h THR 235 CO 0.09 0.52 0.34 -0.33 0.37 0.00 0.00 175.52 176.51 1yuy h GLU 236 N 0.37 0.81 -0.90 6.66 5.08 -0.86 -1.66 114.58 124.09 1yuy h GLU 236 Ca 0.02 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1yuy h GLU 236 Cb 0.99 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1yuy h GLU 236 CO 0.09 0.60 0.48 1.49 -1.00 0.00 0.00 179.01 180.66 1yuy h GLU 237 N 0.80 1.26 0.00 2.33 4.81 -1.11 -0.40 114.58 122.27 1yuy h GLU 237 Ca 0.21 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1yuy h GLU 237 Cb 0.01 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 1yuy h GLU 237 CO -0.04 0.93 -0.15 0.66 -0.73 0.00 0.00 179.01 179.68 1yuy h SER 238 N 1.26 0.00 -0.04 1.04 4.64 -0.79 0.21 113.55 119.87 1yuy h SER 238 Ca 0.31 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.40 1yuy h SER 238 Cb 0.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1yuy h SER 238 CO -0.05 0.15 -0.86 0.40 -0.87 0.00 0.00 176.83 175.60 1yuy h ILE 239 N 0.00 1.29 -0.50 0.95 2.04 -0.33 -2.52 117.51 118.45 1yuy h ILE 239 Ca -0.00 -2.09 -0.02 0.00 1.00 0.00 0.00 64.86 63.75 1yuy h ILE 239 Cb 0.28 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1yuy h ILE 239 CO 0.02 0.65 0.24 1.88 0.00 0.00 0.00 178.15 180.95 1yuy h TYR 240 N 0.46 0.72 0.00 1.37 0.99 0.06 -2.45 116.97 118.11 1yuy h TYR 240 Ca -0.08 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.62 1yuy h TYR 240 Cb 1.50 -0.22 0.00 0.00 1.00 0.00 0.00 36.73 39.00 1yuy h TYR 240 CO 0.09 0.56 0.00 1.04 -0.00 0.00 0.00 178.16 179.85 1yuy n GLN 241 N -4.61 0.19 0.21 4.88 1.13 0.64 -1.92 117.38 117.90 1yuy n GLN 241 Ca 0.02 0.46 0.14 0.00 -1.94 0.00 0.00 57.00 55.68 1yuy n GLN 241 Cb 0.11 -1.90 0.49 0.00 0.11 0.00 0.00 30.24 29.05 1yuy n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1yuy h ALA 242 N 2.22 1.00 -2.37 -1.58 0.00 -0.98 -3.45 119.26 114.10 1yuy h ALA 242 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1yuy h ALA 242 Cb 0.31 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.22 1yuy h ALA 242 CO 0.00 0.00 0.32 0.00 0.00 0.00 0.00 179.25 179.57 1yuy s SER 244 N -3.73 6.39 0.12 0.00 0.15 0.11 -4.99 113.70 111.75 1yuy s SER 244 Ca 0.61 -0.20 0.04 0.00 0.70 0.00 0.00 55.95 57.10 1yuy s SER 244 Cb -0.15 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1yuy s SER 244 CO 0.55 -0.98 -0.11 -0.76 1.20 0.00 0.00 173.24 173.15 1yuy s LEU 245 N 3.38 2.46 0.44 3.45 1.43 -1.26 -1.46 118.68 127.13 1yuy s LEU 245 Ca 0.29 -0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 52.26 1yuy s LEU 245 Cb -0.13 -0.36 -0.08 0.00 0.03 0.00 0.00 46.19 45.66 1yuy s LEU 245 CO 0.21 -0.28 1.12 -2.16 0.23 0.00 0.00 176.35 175.47 1yuy s PRO 246 N -3.21 3.88 0.30 1.29 0.04 -1.26 -4.86 135.00 131.18 1yuy s PRO 246 Ca 0.11 1.65 0.05 0.00 0.04 0.00 0.00 61.00 62.85 1yuy s PRO 246 Cb -0.01 -2.42 0.72 0.00 0.04 0.00 0.00 34.50 32.84 1yuy s PRO 246 CO 0.01 -0.42 1.76 1.49 0.04 0.00 0.00 177.00 179.87 1yuy h GLU 247 N 2.13 0.64 -0.67 4.56 4.57 -2.00 -0.45 114.58 123.37 1yuy h GLU 247 Ca -0.49 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.64 1yuy h GLU 247 Cb 1.23 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.65 1yuy h GLU 247 CO 0.61 0.42 0.36 1.49 -1.18 0.00 0.00 179.01 180.71 1yuy h GLU 248 N 0.66 0.93 -0.39 1.92 4.81 -2.00 -1.81 114.58 118.69 1yuy h GLU 248 Ca 0.56 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 59.54 1yuy h GLU 248 Cb 0.92 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1yuy h GLU 248 CO -0.41 0.69 -0.34 0.00 -0.73 0.00 0.00 179.01 178.22 1yuy h ALA 249 N 1.46 0.65 -0.84 2.92 0.00 -1.47 -2.27 119.26 119.71 1yuy h ALA 249 Ca 0.24 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1yuy h ALA 249 Cb 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1yuy h ALA 249 CO -0.04 0.67 0.55 0.00 0.00 0.00 0.00 179.25 180.44 1yuy h ARG 250 N 0.75 1.09 -0.09 0.00 3.08 -0.73 0.16 114.38 118.63 1yuy h ARG 250 Ca 0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1yuy h ARG 250 Cb 0.91 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1yuy h ARG 250 CO 0.08 0.72 0.03 1.15 -1.07 0.00 0.00 179.97 180.88 1yuy h THR 251 N 1.12 1.18 -0.82 2.04 2.02 -1.23 -1.49 112.91 115.72 1yuy h THR 251 Ca 0.32 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1yuy h THR 251 Cb -0.10 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 1yuy h THR 251 CO -0.08 0.16 0.40 0.00 0.37 0.00 0.00 175.52 176.37 1yuy h ALA 252 N 0.83 1.06 -0.61 6.16 0.00 -1.07 -1.32 119.26 124.32 1yuy h ALA 252 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1yuy h ALA 252 Cb 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1yuy h ALA 252 CO -0.00 0.62 0.01 0.82 0.00 0.00 0.00 179.25 180.71 1yuy h ILE 253 N 1.17 1.27 -0.45 0.00 2.04 -0.58 0.33 117.51 121.28 1yuy h ILE 253 Ca 0.28 -1.14 -0.09 0.00 1.00 0.00 0.00 64.86 64.91 1yuy h ILE 253 Cb 0.11 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1yuy h ILE 253 CO -0.04 0.42 -0.08 -0.74 0.00 0.00 0.00 178.15 177.71 1yuy h HIS 254 N 0.97 0.96 -0.34 1.37 2.76 -1.05 -1.73 115.15 118.08 1yuy h HIS 254 Ca 0.17 -0.20 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 1yuy h HIS 254 Cb 0.55 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 1yuy h HIS 254 CO 0.04 0.94 0.15 1.03 -1.30 0.00 0.00 177.93 178.80 1yuy h SER 255 N 0.69 0.46 -0.39 3.26 0.87 -1.04 -1.14 113.55 116.26 1yuy h SER 255 Ca 0.12 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 1yuy h SER 255 Cb 0.62 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1yuy h SER 255 CO 0.04 0.48 0.10 -0.07 -0.53 0.00 0.00 176.83 176.84 1yuy h LEU 256 N 0.42 0.65 0.13 2.23 3.38 -0.89 0.63 115.31 121.86 1yuy h LEU 256 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1yuy h LEU 256 Cb 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1yuy h LEU 256 CO -0.01 0.66 -0.06 0.74 0.09 0.00 0.00 178.44 179.85 1yuy h THR 257 N 0.68 1.00 -0.10 0.22 2.02 -0.96 0.15 112.91 115.93 1yuy h THR 257 Ca 0.15 -0.58 -0.13 0.00 0.77 0.00 0.00 66.41 66.62 1yuy h THR 257 Cb 0.28 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1yuy h THR 257 CO -0.00 0.14 -0.51 -0.33 0.37 0.00 0.00 175.52 175.18 1yuy h GLU 258 N -0.45 0.27 0.00 6.66 4.39 -1.08 -0.77 114.58 123.60 1yuy h GLU 258 Ca -0.02 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1yuy h GLU 258 Cb 0.36 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1yuy h GLU 258 CO 0.03 0.72 -1.45 0.54 -1.16 0.00 0.00 179.01 177.69 1yuy n ARG 259 N -3.95 0.50 0.07 2.33 1.74 0.20 -4.73 116.66 112.82 1yuy n ARG 259 Ca -0.02 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1yuy n ARG 259 Cb 0.56 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1yuy n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1yuy n LEU 260 N -2.21 0.24 -0.24 0.55 7.94 0.36 -0.03 117.00 123.61 1yuy n LEU 260 Ca -0.01 0.22 -0.07 0.00 -1.11 0.00 0.00 56.01 55.04 1yuy n LEU 260 Cb 0.51 0.05 0.04 0.00 0.53 0.00 0.00 43.42 44.56 1yuy n LEU 260 CO 0.43 -0.59 1.03 1.88 -1.11 0.00 0.00 177.39 179.02 1yuy h TYR 261 N 0.00 1.01 0.00 1.96 0.05 -0.95 -2.78 116.97 116.26 1yuy h TYR 261 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1yuy h TYR 261 Cb 0.17 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.60 1yuy h TYR 261 CO 0.00 0.77 0.00 1.33 -1.05 0.00 0.00 178.16 179.21 1yuy n VAL 262 N -4.42 0.76 -0.24 -2.88 0.24 -0.31 -4.53 118.33 106.95 1yuy n VAL 262 Ca 0.05 0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 1yuy n VAL 262 Cb 0.16 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 1yuy n VAL 262 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yuy n GLY 263 N 0.36 -0.13 0.00 7.63 0.00 -1.05 -4.16 105.19 107.84 1yuy n GLY 263 Ca 0.03 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1yuy n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yuy n GLY 264 N -1.37 0.76 3.76 -0.02 0.00 -0.61 -4.14 105.19 103.58 1yuy n GLY 264 Ca 0.00 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 1yuy n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yuy s PRO 265 N -1.95 4.48 -0.01 1.61 0.04 -1.26 -1.07 135.00 136.83 1yuy s PRO 265 Ca 0.00 1.80 0.05 0.00 0.04 0.00 0.00 61.00 62.90 1yuy s PRO 265 Cb 0.00 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 1yuy s PRO 265 CO 0.00 0.06 -0.16 -1.64 0.04 0.00 0.00 177.00 175.30 1yuy s MET 266 N -1.73 2.31 0.07 4.56 -1.94 0.35 -1.79 119.30 121.13 1yuy s MET 266 Ca 0.48 -0.82 0.08 0.00 -1.71 0.00 0.00 55.69 53.71 1yuy s MET 266 Cb -0.31 -2.28 -0.03 0.00 2.01 0.00 0.00 34.83 34.22 1yuy s MET 266 CO 0.40 0.59 -0.21 -0.06 -0.01 0.00 0.00 175.02 175.73 1yuy s PHE 267 N -0.80 1.78 0.94 -0.03 0.40 0.02 -0.40 117.98 119.88 1yuy s PHE 267 Ca 0.13 -0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 55.94 1yuy s PHE 267 Cb -0.11 -1.02 0.21 0.00 0.51 0.00 0.00 43.02 42.61 1yuy s PHE 267 CO 0.02 0.14 1.28 0.27 0.70 0.00 0.00 175.22 177.63 1yuy n ASN 268 N 1.49 0.42 0.30 1.36 0.23 -0.49 -1.45 115.26 117.12 1yuy n ASN 268 Ca -0.18 -1.66 0.20 0.00 -0.53 0.00 0.00 54.58 52.41 1yuy n ASN 268 Cb 0.53 -0.95 1.01 0.00 -2.08 0.00 0.00 39.78 38.30 1yuy n ASN 268 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1yuy h SER 269 N -1.49 0.00 0.30 0.53 4.64 -1.77 -1.70 113.55 114.06 1yuy h SER 269 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1yuy h SER 269 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1yuy h SER 269 CO 0.32 0.00 -0.15 0.29 -0.87 0.00 0.00 176.83 176.42 1yuy n LYS 270 N -2.97 0.78 -0.42 4.77 5.02 -1.26 -4.92 118.16 119.15 1yuy n LYS 270 Ca -0.02 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 55.93 1yuy n LYS 270 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1yuy n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yuy n GLY 271 N 1.29 0.74 3.78 0.72 0.00 -0.64 -5.05 105.19 106.03 1yuy n GLY 271 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1yuy n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yuy s GLN 272 N -0.58 4.52 0.06 1.61 -0.21 -1.26 -4.82 119.66 118.98 1yuy s GLN 272 Ca 0.00 1.11 -0.30 0.00 0.02 0.00 0.00 55.36 56.19 1yuy s GLN 272 Cb 0.00 -3.23 -0.09 0.00 1.00 0.00 0.00 33.01 30.69 1yuy s GLN 272 CO 0.00 0.56 1.81 0.45 -2.12 0.00 0.00 175.29 176.00 1yuy s SER 273 N -1.18 6.50 -0.20 5.90 0.15 -1.26 -1.40 113.70 122.20 1yuy s SER 273 Ca 0.36 2.61 0.07 0.00 0.70 0.00 0.00 55.95 59.69 1yuy s SER 273 Cb -0.22 -2.55 -0.17 0.00 -1.71 0.00 0.00 66.02 61.36 1yuy s SER 273 CO 0.25 -0.99 -0.09 0.00 1.20 0.00 0.00 173.24 173.62 1yuy n GLY 275 N 2.23 -1.22 2.98 0.00 0.00 -1.08 -1.41 105.19 106.69 1yuy n GLY 275 Ca -0.35 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 1yuy n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yuy s TYR 276 N -3.00 0.89 -0.14 1.61 5.04 -0.09 -0.50 117.35 121.18 1yuy s TYR 276 Ca 0.00 -0.22 -0.06 0.00 -2.44 0.00 0.00 57.07 54.35 1yuy s TYR 276 Cb 0.00 -0.65 -0.04 0.00 0.35 0.00 0.00 41.96 41.62 1yuy s TYR 276 CO 0.00 -0.11 0.07 0.50 -1.34 0.00 0.00 175.55 174.67 1yuy s ARG 277 N 0.26 3.53 -0.15 4.97 3.52 -0.23 -1.53 118.95 129.32 1yuy s ARG 277 Ca -0.04 -0.30 0.17 0.00 -0.13 0.00 0.00 55.73 55.43 1yuy s ARG 277 Cb -0.09 -3.08 0.44 0.00 -1.56 0.00 0.00 34.95 30.65 1yuy s ARG 277 CO 0.00 0.55 1.19 0.54 -0.81 0.00 0.00 175.30 176.77 1yuy n ARG 278 N 2.67 1.30 -2.19 5.12 1.74 -0.16 -1.57 116.66 123.57 1yuy n ARG 278 Ca -0.18 -2.98 -0.03 0.00 -0.77 0.00 0.00 57.85 53.89 1yuy n ARG 278 Cb 0.53 -1.15 -0.01 0.00 -1.02 0.00 0.00 32.46 30.82 1yuy n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yuy n ARG 280 N -0.11 2.70 -2.79 0.00 3.00 -0.98 -4.51 116.66 113.98 1yuy n ARG 280 Ca 0.01 0.97 -0.42 0.00 -0.00 0.00 0.00 57.85 58.41 1yuy n ARG 280 Cb 0.11 -2.79 -0.03 0.00 0.00 0.00 0.00 32.46 29.74 1yuy n ARG 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1yuy s ALA 281 N 0.82 3.41 -0.01 5.13 0.00 -1.26 -4.78 121.76 125.08 1yuy s ALA 281 Ca 0.72 0.26 0.32 0.00 0.00 0.00 0.00 51.96 53.26 1yuy s ALA 281 Cb -0.52 -3.32 1.36 0.00 0.00 0.00 0.00 23.12 20.65 1yuy s ALA 281 CO 0.37 -0.54 1.94 0.66 0.00 0.00 0.00 175.76 178.19 1yuy h SER 282 N 7.11 0.00 -1.47 0.00 4.64 -1.89 -3.33 113.55 118.61 1yuy h SER 282 Ca -0.32 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.43 1yuy h SER 282 Cb 1.15 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.82 1yuy h SER 282 CO 0.83 0.00 -0.78 0.61 -0.87 0.00 0.00 176.83 176.62 1yuy n GLY 283 N -0.12 5.54 3.43 -0.77 0.00 0.53 -4.81 105.19 108.98 1yuy n GLY 283 Ca 0.01 -2.61 -0.22 0.00 0.00 0.00 0.00 46.02 43.20 1yuy n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yuy s VAL 284 N -5.28 1.92 0.32 1.61 -7.23 -1.25 -4.42 120.40 106.08 1yuy s VAL 284 Ca 0.46 -2.22 0.04 0.00 -1.81 0.00 0.00 61.98 58.45 1yuy s VAL 284 Cb 0.41 -2.32 0.30 0.00 0.56 0.00 0.00 36.38 35.32 1yuy s VAL 284 CO -0.17 -0.40 1.88 0.25 -0.31 0.00 0.00 175.10 176.35 1yuy h LEU 285 N 2.33 0.81 -0.34 1.32 5.85 -1.92 -2.20 115.31 121.17 1yuy h LEU 285 Ca -0.40 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1yuy h LEU 285 Cb 1.24 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1yuy h LEU 285 CO 0.64 0.46 0.00 0.35 -0.34 0.00 0.00 178.44 179.56 1yuy n THR 286 N -4.55 0.07 0.12 1.05 -2.24 -1.26 -4.34 114.28 103.12 1yuy n THR 286 Ca 0.16 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.71 1yuy n THR 286 Cb 0.34 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 1yuy n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1yuy h THR 287 N 0.68 0.55 0.12 4.28 2.02 -1.66 0.25 112.91 119.16 1yuy h THR 287 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1yuy h THR 287 Cb 0.15 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1yuy h THR 287 CO 0.00 0.00 -0.06 -1.28 0.37 0.00 0.00 175.52 174.55 1yuy h SER 288 N -0.40 -0.14 -0.50 4.18 0.87 -1.82 -1.27 113.55 114.48 1yuy h SER 288 Ca 0.02 -0.30 0.03 0.00 -1.23 0.00 0.00 61.79 60.30 1yuy h SER 288 Cb 0.40 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 1yuy h SER 288 CO -0.09 0.25 0.28 -0.03 -0.53 0.00 0.00 176.83 176.71 1yuy h MET 289 N -0.54 0.54 -0.17 2.24 -1.53 -1.79 0.10 114.93 113.77 1yuy h MET 289 Ca -0.02 -0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1yuy h MET 289 Cb 0.43 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.35 1yuy h MET 289 CO 0.03 0.36 0.10 0.78 0.14 0.00 0.00 176.91 178.31 1yuy h GLY 290 N 0.56 0.25 1.00 1.39 0.00 -0.51 -1.05 103.07 104.71 1yuy h GLY 290 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1yuy h GLY 290 CO -0.11 0.11 0.34 3.43 0.00 0.00 0.00 176.54 180.30 1yuy h ASN 291 N 0.18 0.80 0.13 0.19 2.35 -0.96 -1.04 115.58 117.22 1yuy h ASN 291 Ca 0.06 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1yuy h ASN 291 Cb 0.06 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1yuy h ASN 291 CO -0.01 0.67 -0.12 0.74 -1.65 0.00 0.00 177.43 177.06 1yuy h THR 292 N 0.86 0.72 -0.48 2.81 2.02 -0.74 0.21 112.91 118.31 1yuy h THR 292 Ca 0.22 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.36 1yuy h THR 292 Cb 0.06 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1yuy h THR 292 CO -0.03 0.00 0.16 0.40 0.37 0.00 0.00 175.52 176.41 1yuy h ILE 293 N -0.28 1.23 -0.30 3.11 2.04 -1.08 -0.21 117.51 122.02 1yuy h ILE 293 Ca 0.00 -0.75 -0.13 0.00 1.00 0.00 0.00 64.86 64.99 1yuy h ILE 293 Cb 0.26 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1yuy h ILE 293 CO -0.03 0.27 -0.34 0.74 0.00 0.00 0.00 178.15 178.79 1yuy h THR 294 N 0.65 1.29 -0.39 -0.27 2.02 -1.07 -0.50 112.91 114.64 1yuy h THR 294 Ca 0.16 -1.49 -0.08 0.00 0.77 0.00 0.00 66.41 65.77 1yuy h THR 294 Cb 0.26 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1yuy h THR 294 CO -0.01 0.48 -0.08 0.00 0.37 0.00 0.00 175.52 176.29 1yuy h TYR 296 N 0.54 0.29 -0.00 0.00 3.20 -0.77 -0.23 116.97 119.99 1yuy h TYR 296 Ca 0.10 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1yuy h TYR 296 Cb 0.59 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 1yuy h TYR 296 CO 0.05 0.23 -0.01 0.28 -1.64 0.00 0.00 178.16 177.07 1yuy h VAL 297 N 0.26 0.96 -0.49 1.81 2.07 -1.06 -0.15 116.25 119.66 1yuy h VAL 297 Ca 0.08 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 1yuy h VAL 297 Cb 0.03 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1yuy h VAL 297 CO -0.01 0.00 0.07 0.11 0.02 0.00 0.00 177.57 177.76 1yuy h LYS 298 N -0.02 0.82 -0.44 1.57 1.57 -1.37 -2.29 116.57 116.40 1yuy h LYS 298 Ca 0.01 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.46 1yuy h LYS 298 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1yuy h LYS 298 CO -0.02 0.82 -0.13 0.00 -0.57 0.00 0.00 179.45 179.56 1yuy h ALA 299 N 0.96 0.61 -0.40 3.86 0.00 -0.92 0.12 119.26 123.50 1yuy h ALA 299 Ca 0.15 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1yuy h ALA 299 Cb 0.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1yuy h ALA 299 CO 0.01 0.52 0.07 1.25 0.00 0.00 0.00 179.25 181.11 1yuy h LEU 300 N 0.70 0.62 -0.78 0.00 6.46 -1.01 0.70 115.31 122.00 1yuy h LEU 300 Ca 0.11 -0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 57.56 1yuy h LEU 300 Cb 0.67 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1yuy h LEU 300 CO 0.05 0.72 0.27 0.00 -0.62 0.00 0.00 178.44 178.85 1yuy h ALA 301 N 0.93 1.02 -0.75 1.25 0.00 -1.34 -2.41 119.26 117.95 1yuy h ALA 301 Ca 0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1yuy h ALA 301 Cb 0.35 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1yuy h ALA 301 CO 0.01 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.20 1yuy h ALA 302 N 1.15 1.07 -0.59 0.00 0.00 -0.32 -1.14 119.26 119.43 1yuy h ALA 302 Ca 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1yuy h ALA 302 Cb 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1yuy h ALA 302 CO -0.01 0.65 0.35 0.00 0.00 0.00 0.00 179.25 180.23 1yuy h LYS 304 N 0.80 0.62 0.00 0.00 1.57 -1.10 -0.60 116.57 117.87 1yuy h LYS 304 Ca 0.21 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1yuy h LYS 304 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1yuy h LYS 304 CO -0.04 0.70 -0.27 0.00 -0.57 0.00 0.00 179.45 179.27 1yuy h ALA 305 N 0.90 1.54 0.00 3.86 0.00 -0.98 -2.90 119.26 121.68 1yuy h ALA 305 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yuy h ALA 305 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1yuy h ALA 305 CO 0.01 0.34 -0.58 0.00 0.00 0.00 0.00 179.25 179.03 1yuy n ALA 306 N -2.48 3.45 -1.21 0.00 0.00 -0.19 -4.96 120.51 115.12 1yuy n ALA 306 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1yuy n ALA 306 Cb 0.32 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1yuy n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yuy n GLY 307 N 1.46 0.54 3.72 0.00 0.00 -0.55 -4.73 105.19 105.63 1yuy n GLY 307 Ca 0.05 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1yuy n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yuy s ILE 308 N -2.00 3.13 -0.22 -0.61 -1.09 -0.34 -4.97 121.20 115.10 1yuy s ILE 308 Ca 0.00 0.82 -0.14 0.00 -2.23 0.00 0.00 60.65 59.09 1yuy s ILE 308 Cb 0.00 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1yuy s ILE 308 CO 0.00 0.07 0.32 -0.69 -1.23 0.00 0.00 174.94 173.41 1yuy s VAL 309 N 1.05 5.25 -1.24 2.92 1.01 -1.26 -4.50 120.40 123.62 1yuy s VAL 309 Ca 0.65 0.53 -0.07 0.00 0.00 0.00 0.00 61.98 63.10 1yuy s VAL 309 Cb -0.39 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1yuy s VAL 309 CO 0.31 0.28 0.71 0.00 0.00 0.00 0.00 175.10 176.40 1yuy n ALA 310 N 4.43 -2.22 -2.02 5.51 0.00 -1.26 -1.23 120.51 123.72 1yuy n ALA 310 Ca -0.11 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 1yuy n ALA 310 Cb 0.51 -2.92 -0.03 0.00 0.00 0.00 0.00 19.45 17.00 1yuy n ALA 310 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yuy s PRO 311 N -5.88 4.49 -0.21 0.00 0.04 -1.26 -4.28 135.00 127.89 1yuy s PRO 311 Ca 0.19 1.90 0.01 0.00 0.04 0.00 0.00 61.00 63.14 1yuy s PRO 311 Cb -0.06 -3.23 0.03 0.00 0.04 0.00 0.00 34.50 31.29 1yuy s PRO 311 CO 0.83 -0.08 -0.16 0.99 0.04 0.00 0.00 177.00 178.62 1yuy s THR 312 N -0.16 2.19 0.13 1.26 2.01 0.61 -4.97 115.64 116.72 1yuy s THR 312 Ca 0.52 -1.15 0.04 0.00 0.31 0.00 0.00 61.69 61.41 1yuy s THR 312 Cb -0.33 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1yuy s THR 312 CO 0.38 0.33 0.12 -0.04 -0.69 0.00 0.00 174.62 174.72 1yuy s MET 313 N 1.24 2.91 -0.18 4.92 -1.94 -1.26 -1.33 119.30 123.66 1yuy s MET 313 Ca 0.00 -0.80 -0.02 0.00 -1.71 0.00 0.00 55.69 53.17 1yuy s MET 313 Cb -0.15 -2.69 0.05 0.00 2.01 0.00 0.00 34.83 34.05 1yuy s MET 313 CO -0.10 0.51 0.00 -1.17 -0.01 0.00 0.00 175.02 174.26 1yuy s LEU 314 N -2.86 1.41 -0.15 -0.03 2.96 -0.64 -4.31 118.68 115.06 1yuy s LEU 314 Ca 0.30 -0.78 -0.00 0.00 -0.22 0.00 0.00 54.13 53.43 1yuy s LEU 314 Cb -0.11 -0.72 -0.01 0.00 0.50 0.00 0.00 46.19 45.85 1yuy s LEU 314 CO 0.23 -0.26 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.17 1yuy s VAL 315 N 1.76 2.86 -0.40 1.68 1.01 0.29 -2.17 120.40 125.43 1yuy s VAL 315 Ca -0.01 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1yuy s VAL 315 Cb -0.17 -2.22 0.13 0.00 0.00 0.00 0.00 36.38 34.12 1yuy s VAL 315 CO -0.07 0.51 0.20 0.00 0.00 0.00 0.00 175.10 175.73 1yuy n GLY 317 N 3.90 3.62 0.25 0.00 0.00 -1.26 -0.66 105.19 111.05 1yuy n GLY 317 Ca 0.06 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1yuy n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yuy n ASP 318 N 6.99 0.81 -4.70 1.61 5.75 -1.26 -3.49 116.55 122.26 1yuy n ASP 318 Ca 0.00 -1.15 -0.40 0.00 -0.01 0.00 0.00 54.79 53.22 1yuy n ASP 318 Cb 0.00 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 1yuy n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1yuy s ASP 319 N -2.10 6.95 -0.04 -1.12 2.15 0.17 -4.69 116.67 117.99 1yuy s ASP 319 Ca 0.39 1.15 0.02 0.00 0.43 0.00 0.00 52.55 54.54 1yuy s ASP 319 Cb 0.21 -2.41 0.02 0.00 -0.30 0.00 0.00 42.92 40.43 1yuy s ASP 319 CO 0.38 -0.19 -0.07 -0.22 -0.17 0.00 0.00 175.17 174.91 1yuy s LEU 320 N 1.17 1.52 -0.04 -1.34 2.96 -1.26 -1.13 118.68 120.57 1yuy s LEU 320 Ca 0.37 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1yuy s LEU 320 Cb -0.17 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 46.01 1yuy s LEU 320 CO 0.16 -0.01 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.36 1yuy s VAL 321 N 0.65 1.14 -0.12 1.68 1.01 -0.92 -1.49 120.40 122.34 1yuy s VAL 321 Ca -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1yuy s VAL 321 Cb -0.13 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1yuy s VAL 321 CO 0.01 0.34 -0.10 -0.69 0.00 0.00 0.00 175.10 174.66 1yuy s VAL 322 N 0.22 1.21 -0.17 2.92 1.01 -0.00 -1.63 120.40 123.96 1yuy s VAL 322 Ca -0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1yuy s VAL 322 Cb -0.11 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1yuy s VAL 322 CO 0.02 0.40 -0.08 -0.63 0.00 0.00 0.00 175.10 174.80 1yuy s ILE 323 N 1.53 3.34 0.08 2.22 1.01 -0.44 -1.71 121.20 127.23 1yuy s ILE 323 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1yuy s ILE 323 Cb -0.13 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.88 1yuy s ILE 323 CO -0.08 0.48 0.10 -1.54 0.00 0.00 0.00 174.94 173.91 1yuy n SER 324 N 3.97 -0.27 -4.64 3.58 3.41 -0.09 -0.29 113.62 119.29 1yuy n SER 324 Ca -0.18 -1.46 -0.42 0.00 -0.26 0.00 0.00 58.87 56.54 1yuy n SER 324 Cb 0.52 0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 64.96 1yuy n SER 324 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1yuy s GLU 325 N -2.23 4.15 0.37 4.33 0.41 -0.37 -1.56 118.70 123.80 1yuy s GLU 325 Ca 0.08 1.02 -0.28 0.00 -0.41 0.00 0.00 54.97 55.38 1yuy s GLU 325 Cb -0.00 -3.67 -0.10 0.00 -1.78 0.00 0.00 34.13 28.58 1yuy s GLU 325 CO 0.05 -0.64 1.38 0.45 -0.49 0.00 0.00 175.26 176.02 1yuy s SER 326 N 1.40 6.46 -0.12 -0.19 0.15 0.92 -4.51 113.70 117.81 1yuy s SER 326 Ca 0.39 2.84 0.15 0.00 0.70 0.00 0.00 55.95 60.02 1yuy s SER 326 Cb -0.14 -2.65 0.44 0.00 -1.71 0.00 0.00 66.02 61.95 1yuy s SER 326 CO 0.09 -0.77 1.35 0.00 1.20 0.00 0.00 173.24 175.12 1yuy n GLN 327 N 0.48 2.84 0.00 5.44 1.13 -1.26 -4.91 117.38 121.09 1yuy n GLN 327 Ca 0.01 -2.57 0.00 0.00 -1.94 0.00 0.00 57.00 52.50 1yuy n GLN 327 Cb 0.41 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1yuy n GLN 327 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yuy n GLY 328 N -0.27 2.61 0.35 1.08 0.00 -1.26 -4.44 105.19 103.26 1yuy n GLY 328 Ca 0.18 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 1yuy n GLY 328 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1yuy h THR 329 N 0.00 0.26 -0.52 2.61 2.02 -1.99 0.27 112.91 115.57 1yuy h THR 329 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1yuy h THR 329 Cb 0.00 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1yuy h THR 329 CO 0.00 0.00 0.25 -0.33 0.37 0.00 0.00 175.52 175.81 1yuy h GLU 330 N -0.46 0.74 -0.34 6.66 3.07 -2.00 -2.16 114.58 120.09 1yuy h GLU 330 Ca 0.07 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1yuy h GLU 330 Cb 0.57 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 1yuy h GLU 330 CO -0.31 0.62 0.14 0.93 -1.40 0.00 0.00 179.01 178.98 1yuy h GLU 331 N 0.69 0.51 -0.54 2.33 4.39 -1.72 -2.05 114.58 118.20 1yuy h GLU 331 Ca 0.18 -0.09 0.07 0.00 0.34 0.00 0.00 59.36 59.86 1yuy h GLU 331 Cb 0.12 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 1yuy h GLU 331 CO -0.02 0.51 0.21 -0.44 -1.16 0.00 0.00 179.01 178.10 1yuy h ASP 332 N 0.41 0.23 -0.22 1.42 3.32 -0.29 0.23 116.42 121.51 1yuy h ASP 332 Ca 0.11 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1yuy h ASP 332 Cb 0.18 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1yuy h ASP 332 CO -0.01 0.15 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.26 1yuy h GLU 333 N 0.40 0.58 -0.14 3.56 5.08 -1.24 -0.41 114.58 122.41 1yuy h GLU 333 Ca 0.26 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1yuy h GLU 333 Cb 0.28 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1yuy h GLU 333 CO -0.25 0.66 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.30 1yuy h ARG 334 N 0.54 0.27 -0.53 2.33 2.43 -0.53 -2.40 114.38 116.49 1yuy h ARG 334 Ca 0.10 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1yuy h ARG 334 Cb 0.46 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1yuy h ARG 334 CO 0.02 0.54 0.25 -0.91 -1.51 0.00 0.00 179.97 178.36 1yuy h ASN 335 N -0.03 0.67 -0.09 -3.80 -0.26 -0.32 -1.91 115.58 109.85 1yuy h ASN 335 Ca 0.04 -0.06 -0.11 0.00 -0.56 0.00 0.00 56.30 55.60 1yuy h ASN 335 Cb 0.44 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 1yuy h ASN 335 CO 0.01 0.58 -0.29 -0.07 -1.06 0.00 0.00 177.43 176.60 1yuy h LEU 336 N 0.75 0.56 -0.48 1.61 -0.00 -0.94 0.14 115.31 116.94 1yuy h LEU 336 Ca 0.19 -0.21 -0.13 0.00 -0.00 0.00 0.00 57.88 57.73 1yuy h LEU 336 Cb 0.09 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.59 1yuy h LEU 336 CO -0.02 0.83 -0.21 0.03 -0.00 0.00 0.00 178.44 179.07 1yuy h ARG 337 N 0.47 0.99 -0.63 1.13 3.08 -0.92 -1.17 114.38 117.34 1yuy h ARG 337 Ca 0.06 -0.42 -0.08 0.00 0.07 0.00 0.00 59.98 59.61 1yuy h ARG 337 Cb 0.75 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 1yuy h ARG 337 CO 0.06 1.10 0.09 0.00 -1.07 0.00 0.00 179.97 180.15 1yuy h ALA 338 N 0.87 0.98 -0.37 0.04 0.00 -1.10 -0.97 119.26 118.71 1yuy h ALA 338 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1yuy h ALA 338 Cb 0.79 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1yuy h ALA 338 CO 0.07 0.64 0.20 0.35 0.00 0.00 0.00 179.25 180.51 1yuy h PHE 339 N 0.97 0.51 -0.76 0.00 3.04 -0.74 -1.62 116.94 118.34 1yuy h PHE 339 Ca 0.19 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 1yuy h PHE 339 Cb 0.43 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.74 1yuy h PHE 339 CO 0.03 0.40 0.45 1.15 -2.02 0.00 0.00 178.31 178.32 1yuy h THR 340 N 0.47 1.22 -0.82 4.41 2.02 -0.89 -0.50 112.91 118.82 1yuy h THR 340 Ca 0.13 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1yuy h THR 340 Cb 0.06 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 1yuy h THR 340 CO -0.02 0.23 0.39 -0.33 0.37 0.00 0.00 175.52 176.16 1yuy h GLU 341 N 1.04 1.18 -0.06 6.66 5.08 -0.88 0.51 114.58 128.11 1yuy h GLU 341 Ca 0.27 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1yuy h GLU 341 Cb -0.02 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 1yuy h GLU 341 CO -0.05 0.91 -0.04 0.00 -1.00 0.00 0.00 179.01 178.82 1yuy h ALA 342 N 1.26 0.09 -0.80 3.43 0.00 -0.86 -1.96 119.26 120.42 1yuy h ALA 342 Ca 0.28 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1yuy h ALA 342 Cb 0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1yuy h ALA 342 CO -0.04 -0.14 0.52 0.52 0.00 0.00 0.00 179.25 180.12 1yuy h MET 343 N -0.28 0.83 -0.41 0.00 2.86 -0.91 -1.36 114.93 115.66 1yuy h MET 343 Ca 0.01 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1yuy h MET 343 Cb 0.52 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1yuy h MET 343 CO 0.01 0.55 0.05 1.15 1.06 0.00 0.00 176.91 179.73 1yuy h THR 344 N 0.85 1.25 -0.31 2.22 2.02 -0.76 -0.21 112.91 117.97 1yuy h THR 344 Ca 0.35 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 1yuy h THR 344 Cb 0.26 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1yuy h THR 344 CO -0.12 0.31 0.04 0.03 0.37 0.00 0.00 175.52 176.16 1yuy h ARG 345 N 0.55 0.45 0.00 6.66 3.08 -0.53 -0.41 114.38 124.17 1yuy h ARG 345 Ca 0.12 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1yuy h ARG 345 Cb 0.40 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1yuy h ARG 345 CO 0.01 0.44 0.00 0.66 -1.07 0.00 0.00 179.97 180.01 1yuy n TYR 346 N -4.34 0.00 -2.08 3.04 4.01 -0.60 -0.71 117.16 116.48 1yuy n TYR 346 Ca 0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.71 1yuy n TYR 346 Cb 0.19 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.24 1yuy n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1yuy n SER 347 N -0.71 -3.64 -2.72 7.72 2.88 -0.16 -4.87 113.62 112.11 1yuy n SER 347 Ca 0.10 -0.21 -0.08 0.00 -1.33 0.00 0.00 58.87 57.34 1yuy n SER 347 Cb 0.04 -2.16 0.10 0.00 -0.75 0.00 0.00 64.21 61.44 1yuy n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yuy n ALA 348 N -1.96 -0.28 -1.16 -1.46 0.00 -0.13 -4.61 120.51 110.92 1yuy n ALA 348 Ca -0.02 -1.40 -0.33 0.00 0.00 0.00 0.00 53.44 51.69 1yuy n ALA 348 Cb 0.53 -1.13 0.11 0.00 0.00 0.00 0.00 19.45 18.96 1yuy n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yuy s PRO 349 N 0.25 1.87 0.33 0.00 0.04 -1.26 -3.99 135.00 132.24 1yuy s PRO 349 Ca 0.22 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 1yuy s PRO 349 Cb 0.32 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.96 1yuy s PRO 349 CO -0.06 -2.01 0.71 -1.25 0.04 0.00 0.00 177.00 174.44 1yuy s PRO 350 N -4.26 3.90 -0.13 0.56 0.04 -1.26 -1.43 135.00 132.41 1yuy s PRO 350 Ca 0.70 0.53 -0.09 0.00 0.04 0.00 0.00 61.00 62.19 1yuy s PRO 350 Cb -0.25 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 1yuy s PRO 350 CO 0.50 0.12 0.01 0.78 0.04 0.00 0.00 177.00 178.45 1yuy h GLY 351 N 1.98 0.00 -6.16 0.56 0.00 -0.78 -3.40 103.07 95.28 1yuy h GLY 351 Ca -0.47 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.20 1yuy h GLY 351 CO 0.65 0.00 -0.76 0.99 0.00 0.00 0.00 176.54 177.42 1yuy s ASP 352 N -5.82 4.02 0.28 0.19 1.01 -1.26 -4.98 116.67 110.12 1yuy s ASP 352 Ca -0.11 -0.39 -0.29 0.00 0.71 0.00 0.00 52.55 52.46 1yuy s ASP 352 Cb 0.01 -1.65 -0.13 0.00 1.01 0.00 0.00 42.92 42.16 1yuy s ASP 352 CO 0.21 0.07 1.27 -0.81 0.21 0.00 0.00 175.17 176.12 1yuy n PRO 353 N 4.19 1.89 -2.26 8.23 -0.04 -1.26 -4.45 135.00 141.29 1yuy n PRO 353 Ca -0.19 0.67 -0.33 0.00 -0.04 0.00 0.00 63.50 63.61 1yuy n PRO 353 Cb 0.52 -2.23 -0.01 0.00 -0.04 0.00 0.00 33.50 31.74 1yuy n PRO 353 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1yuy s PRO 354 N -1.20 3.54 0.02 0.54 0.04 -1.26 -5.02 135.00 131.66 1yuy s PRO 354 Ca 0.62 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.92 1yuy s PRO 354 Cb -0.64 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 1yuy s PRO 354 CO 0.57 -0.63 -0.05 -0.98 0.04 0.00 0.00 177.00 175.95 1yuy s ARG 355 N -3.74 0.37 0.31 4.56 1.70 -1.26 -4.96 118.95 115.92 1yuy s ARG 355 Ca 0.65 -0.40 -0.29 0.00 -0.47 0.00 0.00 55.73 55.21 1yuy s ARG 355 Cb -0.16 -0.22 -0.10 0.00 -0.57 0.00 0.00 34.95 33.90 1yuy s ARG 355 CO 0.30 0.05 1.27 -1.25 -1.08 0.00 0.00 175.30 174.58 1yuy s PRO 356 N -0.78 4.41 0.00 3.89 0.04 -1.26 -4.58 135.00 136.72 1yuy s PRO 356 Ca -0.05 2.12 0.08 0.00 0.04 0.00 0.00 61.00 63.19 1yuy s PRO 356 Cb -0.05 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 1yuy s PRO 356 CO -0.00 -0.12 -0.23 -1.21 0.04 0.00 0.00 177.00 175.48 1yuy s GLU 357 N -1.57 1.77 -0.05 4.56 0.41 0.11 -4.96 118.70 118.98 1yuy s GLU 357 Ca 0.49 -0.90 0.07 0.00 -0.41 0.00 0.00 54.97 54.22 1yuy s GLU 357 Cb -0.38 -1.79 0.11 0.00 -1.78 0.00 0.00 34.13 30.29 1yuy s GLU 357 CO 0.49 0.48 1.04 0.66 -0.49 0.00 0.00 175.26 177.44 1yuy n TYR 358 N 2.26 0.00 -3.88 1.61 4.02 -1.26 -1.20 117.16 118.72 1yuy n TYR 358 Ca -0.16 -0.66 -0.28 0.00 -0.01 0.00 0.00 57.90 56.79 1yuy n TYR 358 Cb 0.52 -0.09 -0.17 0.00 -0.02 0.00 0.00 39.34 39.59 1yuy n TYR 358 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1yuy s ASP 359 N -1.66 2.73 0.37 7.72 -1.08 -1.26 -5.02 116.67 118.48 1yuy s ASP 359 Ca 0.12 -0.62 0.09 0.00 -0.52 0.00 0.00 52.55 51.62 1yuy s ASP 359 Cb 0.10 -0.87 0.84 0.00 -1.46 0.00 0.00 42.92 41.54 1yuy s ASP 359 CO 0.01 -0.19 1.91 0.25 0.52 0.00 0.00 175.17 177.67 1yuy h LEU 360 N 8.14 0.60 -2.51 -1.34 5.85 -1.96 -1.86 115.31 122.23 1yuy h LEU 360 Ca -0.24 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1yuy h LEU 360 Cb 1.11 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1yuy h LEU 360 CO 0.39 0.33 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.73 1yuy h GLU 361 N 0.65 0.00 -0.02 1.25 4.81 -1.97 -2.20 114.58 117.11 1yuy h GLU 361 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1yuy h GLU 361 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1yuy h GLU 361 CO -0.16 0.02 -0.11 1.28 -0.73 0.00 0.00 179.01 179.31 1yuy n LEU 362 N -3.26 2.02 -4.66 1.64 4.32 -0.70 -4.61 117.00 111.75 1yuy n LEU 362 Ca -0.02 -0.67 -0.40 0.00 -0.02 0.00 0.00 56.01 54.89 1yuy n LEU 362 Cb 0.14 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 41.86 1yuy n LEU 362 CO 0.24 0.35 0.42 -0.63 -1.22 0.00 0.00 177.39 176.54 1yuy s ILE 363 N -2.15 4.99 -0.24 -0.08 1.01 -0.83 -5.04 121.20 118.86 1yuy s ILE 363 Ca 0.29 1.26 -0.10 0.00 0.00 0.00 0.00 60.65 62.10 1yuy s ILE 363 Cb 0.20 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1yuy s ILE 363 CO 0.39 0.08 0.14 -0.89 0.00 0.00 0.00 174.94 174.66 1yuy s THR 364 N 2.06 5.15 -0.20 2.92 2.01 -1.26 -4.44 115.64 121.88 1yuy s THR 364 Ca 0.30 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.42 1yuy s THR 364 Cb -0.16 -3.40 0.04 0.00 0.01 0.00 0.00 72.50 68.99 1yuy s THR 364 CO 0.10 0.34 -0.11 -0.55 -0.69 0.00 0.00 174.62 173.71 1yuy s SER 365 N 1.21 3.36 -1.32 3.53 0.15 0.72 -4.70 113.70 116.64 1yuy s SER 365 Ca 0.07 -0.86 -0.06 0.00 0.70 0.00 0.00 55.95 55.79 1yuy s SER 365 Cb -0.14 -1.25 0.01 0.00 -1.71 0.00 0.00 66.02 62.93 1yuy s SER 365 CO 0.05 -0.13 1.11 0.00 1.20 0.00 0.00 173.24 175.47 1yuy n SER 367 N -3.04 -5.10 -4.51 0.00 7.64 -1.26 -4.96 113.62 102.39 1yuy n SER 367 Ca -0.08 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.55 1yuy n SER 367 Cb 0.59 -2.81 -0.10 0.00 -1.01 0.00 0.00 64.21 60.88 1yuy n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1yuy s SER 368 N -2.01 3.67 0.11 6.43 0.01 -0.54 -4.43 113.70 116.95 1yuy s SER 368 Ca 0.00 -1.12 -0.10 0.00 1.31 0.00 0.00 55.95 56.04 1yuy s SER 368 Cb 0.00 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1yuy s SER 368 CO 0.00 -0.09 0.25 0.54 0.41 0.00 0.00 173.24 174.35 1yuy s ASN 369 N -3.56 0.03 0.11 2.44 4.22 0.26 -0.20 114.94 118.25 1yuy s ASN 369 Ca 0.31 -0.62 -0.21 0.00 -2.14 0.00 0.00 52.86 50.21 1yuy s ASN 369 Cb -0.01 0.38 -0.07 0.00 1.28 0.00 0.00 41.25 42.83 1yuy s ASN 369 CO 0.16 -0.78 0.64 -0.69 -2.04 0.00 0.00 177.10 174.39 1yuy s VAL 370 N -3.87 4.61 0.30 3.54 1.01 -1.26 -0.92 120.40 123.81 1yuy s VAL 370 Ca 0.06 1.36 0.04 0.00 0.00 0.00 0.00 61.98 63.44 1yuy s VAL 370 Cb 0.04 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1yuy s VAL 370 CO -0.09 0.52 0.28 -0.55 0.00 0.00 0.00 175.10 175.25 1yuy s SER 371 N -1.17 1.18 0.06 3.32 0.15 -0.51 -4.17 113.70 112.55 1yuy s SER 371 Ca 0.32 -1.62 0.03 0.00 0.70 0.00 0.00 55.95 55.38 1yuy s SER 371 Cb -0.20 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.61 1yuy s SER 371 CO 0.21 -1.05 -0.08 0.54 1.20 0.00 0.00 173.24 174.06 1yuy s VAL 372 N -3.57 0.67 0.05 4.45 0.11 -1.26 -1.76 120.40 119.09 1yuy s VAL 372 Ca 0.38 -1.33 -0.00 0.00 -2.93 0.00 0.00 61.98 58.10 1yuy s VAL 372 Cb 0.03 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1yuy s VAL 372 CO 0.23 -0.48 0.08 0.00 -3.33 0.00 0.00 175.10 171.59 1yuy n ALA 373 N 1.05 -0.07 -2.47 1.54 0.00 -0.27 -3.72 120.51 116.57 1yuy n ALA 373 Ca -0.20 -0.24 -0.32 0.00 0.00 0.00 0.00 53.44 52.68 1yuy n ALA 373 Cb 0.56 0.20 -0.13 0.00 0.00 0.00 0.00 19.45 20.08 1yuy n ALA 373 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yuy s LEU 374 N 0.00 2.70 0.82 0.00 1.43 0.08 -0.79 118.68 122.92 1yuy s LEU 374 Ca 0.04 -0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1yuy s LEU 374 Cb -0.00 -1.56 0.16 0.00 0.03 0.00 0.00 46.19 44.82 1yuy s LEU 374 CO 0.03 0.30 1.13 -0.83 0.23 0.00 0.00 176.35 177.21 1yuy s GLY 375 N -1.08 1.77 0.51 -3.19 0.00 0.75 -1.51 107.32 104.57 1yuy s GLY 375 Ca 0.13 -1.55 0.31 0.00 0.00 0.00 0.00 44.72 43.62 1yuy s GLY 375 CO 0.03 -0.89 1.95 -0.56 0.00 0.00 0.00 173.10 173.63 1yuy h PRO 376 N -0.98 0.00 -0.32 2.90 0.13 -1.89 -0.29 132.00 131.55 1yuy h PRO 376 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1yuy h PRO 376 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1yuy h PRO 376 CO 0.39 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.16 1yuy n GLN 377 N -2.66 2.38 -0.75 0.86 0.00 -1.26 -4.94 117.38 111.01 1yuy n GLN 377 Ca -0.02 -2.17 0.00 0.00 0.00 0.00 0.00 57.00 54.81 1yuy n GLN 377 Cb 0.12 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.89 1yuy n GLN 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1yuy n GLY 378 N 1.37 0.65 3.88 2.61 0.00 -0.12 -5.05 105.19 108.53 1yuy n GLY 378 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1yuy n GLY 378 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yuy s ARG 379 N -0.25 3.76 0.21 1.61 3.52 -1.26 -4.76 118.95 121.79 1yuy s ARG 379 Ca 0.00 0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.48 1yuy s ARG 379 Cb 0.00 -2.70 -0.09 0.00 -1.56 0.00 0.00 34.95 30.59 1yuy s ARG 379 CO 0.00 0.36 1.38 1.03 -0.81 0.00 0.00 175.30 177.26 1yuy s ARG 380 N -2.76 4.32 -0.05 5.12 0.52 -1.26 -0.18 118.95 124.67 1yuy s ARG 380 Ca 0.46 2.17 0.02 0.00 -0.52 0.00 0.00 55.73 57.86 1yuy s ARG 380 Cb -0.11 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.21 1yuy s ARG 380 CO 0.22 -0.36 -0.08 1.03 0.02 0.00 0.00 175.30 176.14 1yuy s ARG 381 N -0.06 1.14 0.08 3.54 1.81 0.03 -4.85 118.95 120.63 1yuy s ARG 381 Ca 0.59 -0.24 -0.02 0.00 -1.72 0.00 0.00 55.73 54.35 1yuy s ARG 381 Cb -0.39 -1.03 -0.04 0.00 -0.45 0.00 0.00 34.95 33.04 1yuy s ARG 381 CO 0.39 -0.01 0.25 0.71 -0.68 0.00 0.00 175.30 175.96 1yuy s TYR 382 N 0.71 3.51 0.18 -0.53 2.02 -1.26 -1.11 117.35 120.87 1yuy s TYR 382 Ca -0.12 0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.76 1yuy s TYR 382 Cb -0.14 -1.84 0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1yuy s TYR 382 CO 0.02 0.55 0.51 1.52 -1.57 0.00 0.00 175.55 176.58 1yuy s TYR 383 N -1.53 -0.18 -0.06 2.71 -0.85 -0.72 -5.00 117.35 111.73 1yuy s TYR 383 Ca 0.36 -0.15 -0.15 0.00 -0.52 0.00 0.00 57.07 56.61 1yuy s TYR 383 Cb -0.13 0.38 -0.05 0.00 0.38 0.00 0.00 41.96 42.55 1yuy s TYR 383 CO 0.26 -0.87 0.38 -1.17 -1.52 0.00 0.00 175.55 172.63 1yuy s LEU 384 N -2.85 4.39 0.00 -3.49 2.96 -1.26 -1.42 118.68 117.01 1yuy s LEU 384 Ca 0.07 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 54.81 1yuy s LEU 384 Cb -0.00 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 44.15 1yuy s LEU 384 CO -0.06 0.23 0.26 1.07 -1.32 0.00 0.00 176.35 176.53 1yuy n THR 385 N 2.48 0.00 -3.70 3.68 5.66 -0.10 -4.74 114.28 117.56 1yuy n THR 385 Ca -0.13 -1.30 -0.04 0.00 -3.05 0.00 0.00 64.05 59.53 1yuy n THR 385 Cb 0.52 0.73 -0.01 0.00 -1.55 0.00 0.00 70.33 70.02 1yuy n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yuy s ARG 386 N -2.65 1.04 0.19 1.09 1.70 -1.26 -0.57 118.95 118.49 1yuy s ARG 386 Ca 0.21 -0.56 -0.32 0.00 -0.47 0.00 0.00 55.73 54.60 1yuy s ARG 386 Cb 0.00 0.37 -0.11 0.00 -0.57 0.00 0.00 34.95 34.64 1yuy s ARG 386 CO 0.15 -0.48 1.61 0.34 -1.08 0.00 0.00 175.30 175.85 1yuy s ASP 387 N -2.88 6.51 0.00 -2.89 2.15 -1.26 -4.90 116.67 113.41 1yuy s ASP 387 Ca 0.11 2.72 0.23 0.00 0.43 0.00 0.00 52.55 56.05 1yuy s ASP 387 Cb -0.01 -2.60 1.10 0.00 -0.30 0.00 0.00 42.92 41.11 1yuy s ASP 387 CO -0.00 -0.87 1.74 -0.81 -0.17 0.00 0.00 175.17 175.06 1yuy n PRO 388 N 3.81 1.38 0.15 4.34 -0.04 -1.26 -4.48 135.00 138.91 1yuy n PRO 388 Ca 0.14 -0.57 -0.14 0.00 -0.04 0.00 0.00 63.50 62.88 1yuy n PRO 388 Cb 0.37 -1.40 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 1yuy n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1yuy h THR 389 N 1.23 0.21 -0.32 0.52 2.02 -1.92 -0.78 112.91 113.87 1yuy h THR 389 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1yuy h THR 389 Cb 0.27 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1yuy h THR 389 CO 0.00 0.00 0.05 0.74 0.37 0.00 0.00 175.52 176.68 1yuy h THR 390 N -0.66 1.24 -0.92 3.16 2.02 -1.95 -1.02 112.91 114.78 1yuy h THR 390 Ca 0.01 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.36 1yuy h THR 390 Cb 0.66 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 1yuy h THR 390 CO -0.18 0.28 0.59 1.55 0.37 0.00 0.00 175.52 178.13 1yuy h PRO 391 N 0.37 1.22 -0.35 6.66 0.13 -1.80 0.32 132.00 138.54 1yuy h PRO 391 Ca 0.10 -0.08 -0.17 0.00 -0.87 0.00 0.00 66.00 64.98 1yuy h PRO 391 Cb 0.36 -0.27 -0.00 0.00 0.13 0.00 0.00 31.00 31.22 1yuy h PRO 391 CO 0.01 0.82 -0.43 0.82 -0.23 0.00 0.00 178.00 178.98 1yuy h ILE 392 N 1.25 1.27 -0.79 -3.56 2.04 -1.02 -0.15 117.51 116.55 1yuy h ILE 392 Ca 0.33 -1.61 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 1yuy h ILE 392 Cb -0.12 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1yuy h ILE 392 CO -0.07 0.53 0.34 0.00 0.00 0.00 0.00 178.15 178.95 1yuy h ALA 393 N 0.77 1.02 -0.16 1.87 0.00 -0.77 -1.18 119.26 120.81 1yuy h ALA 393 Ca 0.05 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1yuy h ALA 393 Cb 1.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1yuy h ALA 393 CO 0.10 0.63 -0.54 0.00 0.00 0.00 0.00 179.25 179.44 1yuy h ARG 394 N 1.13 0.48 -0.55 0.00 3.08 -0.82 -2.50 114.38 115.20 1yuy h ARG 394 Ca 0.27 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1yuy h ARG 394 Cb 0.18 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1yuy h ARG 394 CO -0.03 0.90 0.16 0.00 -1.07 0.00 0.00 179.97 179.93 1yuy h ALA 395 N 1.04 1.24 -0.20 0.04 0.00 -0.61 -0.23 119.26 120.54 1yuy h ALA 395 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1yuy h ALA 395 Cb 1.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1yuy h ALA 395 CO 0.10 0.53 0.02 0.00 0.00 0.00 0.00 179.25 179.90 1yuy h ALA 396 N 1.36 0.27 -0.50 0.00 0.00 -1.01 -1.77 119.26 117.60 1yuy h ALA 396 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1yuy h ALA 396 Cb 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1yuy h ALA 396 CO -0.01 -0.04 0.28 2.35 0.00 0.00 0.00 179.25 181.84 1yuy h TRP 397 N 0.12 0.69 0.00 0.00 2.91 -1.13 -2.24 115.95 116.30 1yuy h TRP 397 Ca 0.06 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1yuy h TRP 397 Cb 0.36 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1yuy h TRP 397 CO 0.03 0.50 0.00 0.39 -1.03 0.00 0.00 178.44 178.33 1yuy n GLU 398 N -4.66 0.05 0.10 2.65 1.02 -0.13 -0.40 120.64 119.27 1yuy n GLU 398 Ca 0.02 0.27 -0.16 0.00 -0.02 0.00 0.00 57.16 57.27 1yuy n GLU 398 Cb 0.08 -1.59 -0.13 0.00 -0.02 0.00 0.00 31.44 29.78 1yuy n GLU 398 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1yuy h THR 399 N 0.00 1.50 0.00 2.62 2.02 -0.69 -3.36 112.91 115.00 1yuy h THR 399 Ca 0.00 -3.04 -0.01 0.00 0.77 0.00 0.00 66.41 64.13 1yuy h THR 399 Cb 0.31 2.92 -0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1yuy h THR 399 CO 0.00 0.89 -1.92 1.33 0.37 0.00 0.00 175.52 176.19 1yuy n VAL 400 N -3.54 0.05 -3.89 3.16 0.24 -0.98 -4.81 118.33 108.56 1yuy n VAL 400 Ca -0.08 -0.47 -0.30 0.00 -2.04 0.00 0.00 64.34 61.45 1yuy n VAL 400 Cb 1.02 0.03 -0.15 0.00 -1.47 0.00 0.00 33.84 33.26 1yuy n VAL 400 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1yuy s ARG 401 N -3.35 1.25 0.06 7.34 1.81 0.46 -5.10 118.95 121.42 1yuy s ARG 401 Ca -0.07 -1.27 -0.31 0.00 -1.72 0.00 0.00 55.73 52.36 1yuy s ARG 401 Cb 0.12 -2.57 -0.08 0.00 -0.45 0.00 0.00 34.95 31.98 1yuy s ARG 401 CO 0.82 -0.83 1.57 -1.58 -0.68 0.00 0.00 175.30 174.60 1yuy s HIS 402 N 1.33 2.61 -0.15 -0.53 5.65 -1.26 -4.15 115.29 118.80 1yuy s HIS 402 Ca 0.05 0.50 -0.02 0.00 0.25 0.00 0.00 55.06 55.83 1yuy s HIS 402 Cb -0.18 -3.87 -0.02 0.00 -1.18 0.00 0.00 32.58 27.33 1yuy s HIS 402 CO -0.13 -3.38 -0.07 -1.54 -0.65 0.00 0.00 174.74 168.97 1yuy s SER 403 N 2.14 4.53 0.38 9.88 1.04 -1.26 -4.99 113.70 125.41 1yuy s SER 403 Ca 0.70 -0.20 0.15 0.00 0.48 0.00 0.00 55.95 57.09 1yuy s SER 403 Cb -0.38 -1.72 1.01 0.00 0.10 0.00 0.00 66.02 65.03 1yuy s SER 403 CO 0.30 0.17 1.79 -0.65 0.98 0.00 0.00 173.24 175.83 1yuy h PRO 404 N 6.71 0.47 -4.34 4.02 0.11 -1.94 -3.27 132.00 133.76 1yuy h PRO 404 Ca -0.29 -0.03 -0.63 0.00 0.11 0.00 0.00 66.00 65.16 1yuy h PRO 404 Cb 1.20 -0.11 -0.39 0.00 0.11 0.00 0.00 31.00 31.81 1yuy h PRO 404 CO 0.60 0.31 -0.75 0.08 -0.21 0.00 0.00 178.00 178.03 1yuy s VAL 405 N -5.57 1.74 0.82 3.15 1.01 -1.26 -4.10 120.40 116.19 1yuy s VAL 405 Ca -0.09 -1.80 -0.06 0.00 0.00 0.00 0.00 61.98 60.02 1yuy s VAL 405 Cb 0.25 -2.20 0.16 0.00 0.00 0.00 0.00 36.38 34.59 1yuy s VAL 405 CO 0.80 -0.47 1.12 0.54 0.00 0.00 0.00 175.10 177.09 1yuy s ASN 406 N 1.21 3.84 0.00 3.32 4.22 -0.77 -4.76 114.94 122.00 1yuy s ASN 406 Ca 0.05 -0.19 0.00 0.00 -2.14 0.00 0.00 52.86 50.59 1yuy s ASN 406 Cb -0.19 -0.04 0.00 0.00 1.28 0.00 0.00 41.25 42.30 1yuy s ASN 406 CO -0.12 -2.22 0.00 -1.54 -2.04 0.00 0.00 177.10 171.18 1yuy n SER 407 N -3.19 4.97 -0.26 3.54 3.41 -1.26 -1.77 113.62 119.07 1yuy n SER 407 Ca 0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.73 1yuy n SER 407 Cb 0.60 0.85 0.13 0.00 -0.26 0.00 0.00 64.21 65.54 1yuy n SER 407 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1yuy h TRP 408 N 0.00 1.10 -0.14 7.33 5.08 -1.91 -0.64 115.95 126.76 1yuy h TRP 408 Ca 0.00 -0.05 -0.10 0.00 1.08 0.00 0.00 58.89 59.82 1yuy h TRP 408 Cb 0.28 -0.34 -0.01 0.00 -3.00 0.00 0.00 29.16 26.09 1yuy h TRP 408 CO 0.00 0.80 -0.33 1.25 -1.28 0.00 0.00 178.44 178.88 1yuy h LEU 409 N 1.09 0.30 -0.50 0.11 5.85 -1.95 -0.69 115.31 119.52 1yuy h LEU 409 Ca 0.27 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.73 1yuy h LEU 409 Cb 0.12 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1yuy h LEU 409 CO -0.03 0.62 -0.37 1.23 -0.34 0.00 0.00 178.44 179.55 1yuy h GLY 410 N 1.10 0.90 1.12 3.75 0.00 -1.61 -2.08 103.07 106.24 1yuy h GLY 410 Ca 0.03 -0.89 -0.13 0.00 0.00 0.00 0.00 47.33 46.34 1yuy h GLY 410 CO 0.05 0.80 -0.19 3.43 0.00 0.00 0.00 176.54 180.64 1yuy h ASN 411 N 0.68 1.03 -0.79 0.19 2.35 -0.74 -0.29 115.58 118.01 1yuy h ASN 411 Ca 0.06 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1yuy h ASN 411 Cb 0.93 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 1yuy h ASN 411 CO 0.09 1.18 0.44 0.40 -1.65 0.00 0.00 177.43 177.88 1yuy h ILE 412 N 0.87 1.23 -0.01 2.81 2.04 -1.02 0.30 117.51 123.73 1yuy h ILE 412 Ca 0.12 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1yuy h ILE 412 Cb 0.77 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1yuy h ILE 412 CO 0.06 0.26 -0.03 0.40 0.00 0.00 0.00 178.15 178.84 1yuy h ILE 413 N 1.09 1.45 -0.41 -0.67 2.04 -1.21 -1.44 117.51 118.36 1yuy h ILE 413 Ca 0.28 -1.38 -0.08 0.00 1.00 0.00 0.00 64.86 64.68 1yuy h ILE 413 Cb 0.02 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1yuy h ILE 413 CO -0.05 0.36 -0.09 -0.61 0.00 0.00 0.00 178.15 177.77 1yuy h GLN 414 N -0.52 0.71 -0.33 2.37 4.15 -1.00 -3.22 115.11 117.26 1yuy h GLN 414 Ca 0.00 -0.22 -0.21 0.00 0.77 0.00 0.00 58.65 59.00 1yuy h GLN 414 Cb 0.61 -0.07 -0.13 0.00 0.21 0.00 0.00 27.48 28.10 1yuy h GLN 414 CO 0.01 0.78 -0.30 0.66 -1.93 0.00 0.00 178.83 178.05 1yuy n TYR 415 N -4.19 1.10 -0.34 3.99 4.02 0.09 -4.81 117.16 117.02 1yuy n TYR 415 Ca 0.01 -1.74 0.18 0.00 -0.01 0.00 0.00 57.90 56.34 1yuy n TYR 415 Cb 0.34 -0.44 0.39 0.00 -0.02 0.00 0.00 39.34 39.61 1yuy n TYR 415 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yuy h ALA 416 N 1.23 1.78 0.00 -0.72 0.00 -1.27 -1.29 119.26 118.99 1yuy h ALA 416 Ca 0.19 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1yuy h ALA 416 Cb 1.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1yuy h ALA 416 CO 0.38 -0.31 0.00 -0.35 0.00 0.00 0.00 179.25 178.97 1yuy n PRO 417 N -4.92 0.14 -1.99 0.00 -0.04 -1.26 -4.42 135.00 122.50 1yuy n PRO 417 Ca 0.27 0.05 -0.33 0.00 -0.04 0.00 0.00 63.50 63.45 1yuy n PRO 417 Cb 0.77 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.75 1yuy n PRO 417 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1yuy s THR 418 N -2.85 3.61 0.33 0.52 -4.23 -0.49 -4.90 115.64 107.64 1yuy s THR 418 Ca 0.17 0.78 0.10 0.00 -1.18 0.00 0.00 61.69 61.55 1yuy s THR 418 Cb 0.17 -3.30 0.06 0.00 1.34 0.00 0.00 72.50 70.78 1yuy s THR 418 CO 0.45 -0.44 1.76 -0.29 -0.54 0.00 0.00 174.62 175.56 1yuy h ILE 419 N 0.39 1.29 -0.00 2.99 2.10 -1.90 -2.34 117.51 120.04 1yuy h ILE 419 Ca -0.47 -1.41 -0.20 0.00 1.08 0.00 0.00 64.86 63.86 1yuy h ILE 419 Cb 1.23 1.69 -0.01 0.00 -1.09 0.00 0.00 36.82 38.64 1yuy h ILE 419 CO 0.56 0.41 -0.86 4.11 -1.08 0.00 0.00 178.15 181.29 1yuy h TRP 420 N 0.10 0.34 -0.10 2.19 5.08 -1.92 -1.16 115.95 120.48 1yuy h TRP 420 Ca 0.01 -0.18 -0.09 0.00 1.08 0.00 0.00 58.89 59.71 1yuy h TRP 420 Cb 0.74 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 26.86 1yuy h TRP 420 CO 0.01 0.98 -0.28 0.28 -1.28 0.00 0.00 178.44 178.15 1yuy h VAL 421 N 0.13 1.40 -0.40 0.12 2.07 -1.78 -1.75 116.25 116.03 1yuy h VAL 421 Ca -0.05 -1.61 -0.07 0.00 0.82 0.00 0.00 66.70 65.80 1yuy h VAL 421 Cb 1.48 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 1yuy h VAL 421 CO 0.13 0.47 -0.02 0.03 0.02 0.00 0.00 177.57 178.20 1yuy h ARG 422 N -0.10 0.72 0.11 1.57 3.08 -1.45 0.37 114.38 118.68 1yuy h ARG 422 Ca -0.01 -0.24 -0.31 0.00 0.07 0.00 0.00 59.98 59.49 1yuy h ARG 422 Cb 0.89 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1yuy h ARG 422 CO 0.06 0.82 -1.60 0.52 -1.07 0.00 0.00 179.97 178.70 1yuy h MET 423 N 0.54 0.24 0.00 0.04 2.86 -1.32 -3.37 114.93 113.92 1yuy h MET 423 Ca 0.11 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1yuy h MET 423 Cb 0.51 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1yuy h MET 423 CO 0.02 1.09 -0.29 0.28 1.06 0.00 0.00 176.91 179.07 1yuy n VAL 424 N -3.43 0.47 -0.07 -2.22 0.31 -0.68 -4.27 118.33 108.44 1yuy n VAL 424 Ca -0.18 0.39 -0.09 0.00 -0.01 0.00 0.00 64.34 64.45 1yuy n VAL 424 Cb 1.05 -1.77 -0.02 0.00 -0.91 0.00 0.00 33.84 32.19 1yuy n VAL 424 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1yuy h LEU 425 N -0.31 0.19 -0.35 7.52 3.38 -1.31 0.26 115.31 124.68 1yuy h LEU 425 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1yuy h LEU 425 Cb 0.29 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1yuy h LEU 425 CO 0.00 0.14 0.15 0.24 0.09 0.00 0.00 178.44 179.06 1yuy h MET 426 N 0.27 0.52 -0.19 1.13 2.86 -1.12 -0.46 114.93 117.93 1yuy h MET 426 Ca 0.11 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1yuy h MET 426 Cb 0.03 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1yuy h MET 426 CO -0.07 0.50 0.08 1.15 1.06 0.00 0.00 176.91 179.63 1yuy h THR 427 N 0.43 0.98 0.59 2.22 2.02 -1.67 -1.43 112.91 116.05 1yuy h THR 427 Ca 0.12 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 1yuy h THR 427 Cb 0.16 0.78 0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1yuy h THR 427 CO -0.01 0.03 -0.28 -0.74 0.37 0.00 0.00 175.52 174.89 1yuy h HIS 428 N 0.19 -0.74 -0.31 3.16 6.17 -0.79 -2.82 115.15 120.01 1yuy h HIS 428 Ca 0.08 -0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.04 1yuy h HIS 428 Cb 0.03 0.24 -0.01 0.00 2.52 0.00 0.00 27.41 30.19 1yuy h HIS 428 CO -0.10 -0.42 -0.22 0.74 0.71 0.00 0.00 177.93 178.63 1yuy h PHE 429 N -0.90 0.66 0.00 5.26 0.04 -1.08 -2.12 116.94 118.81 1yuy h PHE 429 Ca -0.08 -0.14 -0.09 0.00 2.80 0.00 0.00 57.97 60.46 1yuy h PHE 429 Cb 0.65 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1yuy h PHE 429 CO -0.02 0.77 -0.43 0.74 -0.60 0.00 0.00 178.31 178.77 1yuy h PHE 430 N 0.52 0.00 -0.04 -0.55 0.04 -1.34 0.11 116.94 115.69 1yuy h PHE 430 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1yuy h PHE 430 Cb 0.67 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.82 1yuy h PHE 430 CO 0.03 0.43 -0.02 1.03 -0.60 0.00 0.00 178.31 179.18 1yuy h SER 431 N 0.00 0.08 -0.57 2.17 0.87 -1.22 -1.98 113.55 112.90 1yuy h SER 431 Ca -0.00 -0.44 -0.05 0.00 -1.23 0.00 0.00 61.79 60.07 1yuy h SER 431 Cb 0.77 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1yuy h SER 431 CO 0.06 0.51 0.17 0.40 -0.53 0.00 0.00 176.83 177.43 1yuy h ILE 432 N -0.34 1.24 -0.76 2.23 2.04 -1.19 -1.40 117.51 119.32 1yuy h ILE 432 Ca 0.01 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1yuy h ILE 432 Cb 0.48 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1yuy h ILE 432 CO 0.01 0.31 0.37 -0.07 0.00 0.00 0.00 178.15 178.76 1yuy h LEU 433 N 0.80 0.98 -0.39 1.44 3.38 -0.81 0.38 115.31 121.09 1yuy h LEU 433 Ca 0.18 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1yuy h LEU 433 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1yuy h LEU 433 CO -0.00 0.83 -0.22 0.24 0.09 0.00 0.00 178.44 179.37 1yuy h MET 434 N 1.08 0.84 -0.57 1.13 2.86 -1.16 0.38 114.93 119.49 1yuy h MET 434 Ca 0.26 -0.38 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1yuy h MET 434 Cb 0.10 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1yuy h MET 434 CO -0.03 1.02 0.16 0.00 1.06 0.00 0.00 176.91 179.11 1yuy h ALA 435 N 0.80 1.20 0.00 6.32 0.00 -0.76 -1.86 119.26 124.96 1yuy h ALA 435 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1yuy h ALA 435 Cb 0.78 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1yuy h ALA 435 CO 0.06 0.55 -0.17 1.96 0.00 0.00 0.00 179.25 181.66 1yuy h GLN 436 N 0.84 0.00 -4.76 0.00 4.20 -0.79 -3.48 115.11 111.13 1yuy h GLN 436 Ca 0.19 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.63 1yuy h GLN 436 Cb 0.28 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.18 1yuy h GLN 436 CO -0.00 0.17 -0.57 -3.47 -0.67 0.00 0.00 178.83 174.29 1yuy n ASP 437 N -3.15 -2.82 -0.81 1.46 -0.08 0.12 -4.95 116.55 106.32 1yuy n ASP 437 Ca 0.03 -0.46 0.05 0.00 -1.51 0.00 0.00 54.79 52.91 1yuy n ASP 437 Cb 0.59 -4.01 0.11 0.00 2.34 0.00 0.00 41.12 40.15 1yuy n ASP 437 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1yuy n THR 438 N -3.63 1.15 -0.29 5.18 -2.24 -0.44 -4.88 114.28 109.13 1yuy n THR 438 Ca -0.17 -1.95 0.07 0.00 -2.27 0.00 0.00 64.05 59.73 1yuy n THR 438 Cb 0.61 0.27 0.22 0.00 -2.10 0.00 0.00 70.33 69.33 1yuy n THR 438 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1yuy h LEU 439 N 0.73 0.52 -0.07 3.22 3.38 -1.93 -2.23 115.31 118.93 1yuy h LEU 439 Ca -0.08 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1yuy h LEU 439 Cb 1.35 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1yuy h LEU 439 CO 0.03 0.22 -0.06 -0.90 0.09 0.00 0.00 178.44 177.83 1yuy n ASP 440 N -4.87 0.17 -4.71 -0.43 5.68 -1.26 -3.53 116.55 107.60 1yuy n ASP 440 Ca 0.17 -0.22 -0.42 0.00 -0.50 0.00 0.00 54.79 53.82 1yuy n ASP 440 Cb 0.43 -0.22 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 1yuy n ASP 440 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1yuy s GLN 441 N -2.60 4.36 0.26 0.11 0.74 -0.84 -4.86 119.66 116.83 1yuy s GLN 441 Ca 0.26 1.93 -0.30 0.00 0.05 0.00 0.00 55.36 57.31 1yuy s GLN 441 Cb 0.20 -3.32 -0.09 0.00 1.10 0.00 0.00 33.01 30.90 1yuy s GLN 441 CO 0.48 -0.37 1.13 -0.80 -0.55 0.00 0.00 175.29 175.18 1yuy s ASN 442 N 1.15 7.20 0.05 6.67 -0.87 -1.26 -4.42 114.94 123.47 1yuy s ASN 442 Ca 0.62 2.28 0.07 0.00 -1.57 0.00 0.00 52.86 54.26 1yuy s ASN 442 Cb -0.33 -2.62 -0.03 0.00 -0.02 0.00 0.00 41.25 38.25 1yuy s ASN 442 CO 0.29 -0.22 -0.21 -0.76 -2.57 0.00 0.00 177.10 173.64 1yuy s LEU 443 N -1.18 2.19 0.06 0.60 1.43 -0.17 -4.91 118.68 116.69 1yuy s LEU 443 Ca 0.47 -0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 1yuy s LEU 443 Cb -0.32 -0.96 -0.06 0.00 0.03 0.00 0.00 46.19 44.87 1yuy s LEU 443 CO 0.41 0.14 0.49 0.20 0.23 0.00 0.00 176.35 177.82 1yuy s ASN 444 N -1.29 6.89 0.14 2.29 0.01 -1.26 -2.13 114.94 119.60 1yuy s ASN 444 Ca 0.07 1.08 -0.16 0.00 -0.71 0.00 0.00 52.86 53.15 1yuy s ASN 444 Cb -0.09 -2.29 0.03 0.00 0.41 0.00 0.00 41.25 39.31 1yuy s ASN 444 CO 0.02 0.26 0.41 0.72 -1.51 0.00 0.00 177.10 177.01 1yuy s PHE 445 N -1.18 -0.14 0.03 2.20 -0.12 -0.25 -1.84 117.98 116.69 1yuy s PHE 445 Ca 0.29 -0.19 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 1yuy s PHE 445 Cb -0.17 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 1yuy s PHE 445 CO 0.17 -0.74 0.03 -1.83 -0.05 0.00 0.00 175.22 172.80 1yuy s GLU 446 N -3.83 2.81 -0.23 1.99 4.04 -0.73 -0.12 118.70 122.64 1yuy s GLU 446 Ca 0.05 -0.65 -0.09 0.00 0.04 0.00 0.00 54.97 54.32 1yuy s GLU 446 Cb 0.01 -2.69 0.09 0.00 0.02 0.00 0.00 34.13 31.56 1yuy s GLU 446 CO -0.09 0.60 0.51 1.41 -1.84 0.00 0.00 175.26 175.85 1yuy s MET 447 N -1.93 0.45 -1.39 -4.83 1.75 0.18 -4.47 119.30 109.07 1yuy s MET 447 Ca 0.24 1.11 0.00 0.00 -1.25 0.00 0.00 55.69 55.79 1yuy s MET 447 Cb -0.12 0.36 0.00 0.00 2.84 0.00 0.00 34.83 37.91 1yuy s MET 447 CO 0.15 -0.20 0.00 0.66 -0.65 0.00 0.00 175.02 174.98 1yuy n TYR 448 N 5.01 -0.60 -0.91 4.11 0.53 -1.26 -1.86 117.16 122.17 1yuy n TYR 448 Ca -0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.74 1yuy n TYR 448 Cb 0.52 -3.12 0.00 0.00 -1.03 0.00 0.00 39.34 35.71 1yuy n TYR 448 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1yuy n GLY 449 N -1.03 0.76 3.73 2.72 0.00 -1.26 -3.55 105.19 106.56 1yuy n GLY 449 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1yuy n GLY 449 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yuy s SER 450 N -2.72 5.10 -0.17 1.61 0.15 -0.78 -4.01 113.70 112.89 1yuy s SER 450 Ca 0.00 -0.29 -0.12 0.00 0.70 0.00 0.00 55.95 56.24 1yuy s SER 450 Cb 0.00 -1.20 -0.05 0.00 -1.71 0.00 0.00 66.02 63.06 1yuy s SER 450 CO 0.00 0.07 0.22 -0.69 1.20 0.00 0.00 173.24 174.04 1yuy s VAL 451 N -1.79 5.35 0.35 4.45 1.01 -0.68 -0.65 120.40 128.45 1yuy s VAL 451 Ca 0.29 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.70 1yuy s VAL 451 Cb -0.09 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1yuy s VAL 451 CO 0.21 0.44 0.07 -0.31 0.00 0.00 0.00 175.10 175.51 1yuy s TYR 452 N 0.24 1.91 -0.13 5.22 2.02 0.83 -2.03 117.35 125.41 1yuy s TYR 452 Ca 0.13 -1.04 -0.05 0.00 -0.37 0.00 0.00 57.07 55.74 1yuy s TYR 452 Cb -0.12 -1.26 0.06 0.00 -0.40 0.00 0.00 41.96 40.24 1yuy s TYR 452 CO 0.02 -0.07 0.27 0.45 -1.57 0.00 0.00 175.55 174.66 1yuy s SER 453 N -3.53 0.09 0.18 2.29 0.15 -1.23 -1.09 113.70 110.56 1yuy s SER 453 Ca 0.32 0.61 -0.13 0.00 0.70 0.00 0.00 55.95 57.45 1yuy s SER 453 Cb 0.07 0.65 0.01 0.00 -1.71 0.00 0.00 66.02 65.04 1yuy s SER 453 CO 0.15 -0.21 0.40 0.54 1.20 0.00 0.00 173.24 175.32 1yuy s VAL 454 N 2.03 0.05 -0.19 4.45 0.11 -0.91 -4.90 120.40 121.04 1yuy s VAL 454 Ca -0.03 -1.09 -0.08 0.00 -2.93 0.00 0.00 61.98 57.85 1yuy s VAL 454 Cb -0.11 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 1yuy s VAL 454 CO -0.09 -0.21 0.09 -0.55 -3.33 0.00 0.00 175.10 171.01 1yuy s SER 455 N -2.92 5.80 0.63 3.54 0.15 -1.26 -1.00 113.70 118.63 1yuy s SER 455 Ca 0.13 0.11 0.31 0.00 0.70 0.00 0.00 55.95 57.21 1yuy s SER 455 Cb 0.01 -2.01 1.73 0.00 -1.71 0.00 0.00 66.02 64.04 1yuy s SER 455 CO -0.01 0.16 2.04 1.55 1.20 0.00 0.00 173.24 178.18 1yuy h PRO 456 N 6.80 0.00 0.00 5.44 0.13 -1.77 0.32 132.00 142.92 1yuy h PRO 456 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1yuy h PRO 456 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1yuy h PRO 456 CO 0.71 0.00 0.00 1.25 -0.23 0.00 0.00 178.00 179.73 1yuy h LEU 457 N 0.00 0.00 -2.64 1.56 5.85 -1.92 -2.09 115.31 116.08 1yuy h LEU 457 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1yuy h LEU 457 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1yuy h LEU 457 CO -0.00 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 178.57 1yuy n ASP 458 N -2.62 3.82 -0.20 1.25 10.43 0.11 -4.60 116.55 124.75 1yuy n ASP 458 Ca 0.01 -2.00 -0.06 0.00 2.57 0.00 0.00 54.79 55.31 1yuy n ASP 458 Cb 0.22 -0.42 0.03 0.00 1.84 0.00 0.00 41.12 42.79 1yuy n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1yuy h LEU 459 N 4.34 0.66 -1.16 0.64 3.38 -1.44 -2.32 115.31 119.41 1yuy h LEU 459 Ca 0.00 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1yuy h LEU 459 Cb 0.99 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1yuy h LEU 459 CO 0.00 0.49 0.57 1.55 0.09 0.00 0.00 178.44 181.14 1yuy h PRO 460 N 0.77 1.03 -0.25 1.13 0.13 -1.82 0.27 132.00 133.27 1yuy h PRO 460 Ca 0.21 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.18 1yuy h PRO 460 Cb -0.08 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 30.82 1yuy h PRO 460 CO -0.04 0.68 -0.21 0.00 -0.23 0.00 0.00 178.00 178.20 1yuy h ALA 461 N 1.50 0.36 -0.51 -0.56 0.00 -1.86 -1.29 119.26 116.89 1yuy h ALA 461 Ca 0.36 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1yuy h ALA 461 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1yuy h ALA 461 CO -0.11 0.30 0.26 0.82 0.00 0.00 0.00 179.25 180.52 1yuy h ILE 462 N 0.29 1.19 -0.25 0.00 2.04 -0.93 -1.94 117.51 117.90 1yuy h ILE 462 Ca 0.04 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1yuy h ILE 462 Cb 0.75 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1yuy h ILE 462 CO 0.05 0.21 -0.01 0.40 0.00 0.00 0.00 178.15 178.80 1yuy h ILE 463 N 0.69 1.26 -0.85 -0.67 2.04 -0.43 -1.31 117.51 118.24 1yuy h ILE 463 Ca 0.18 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1yuy h ILE 463 Cb 0.09 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1yuy h ILE 463 CO -0.02 0.29 0.55 -0.08 0.00 0.00 0.00 178.15 178.89 1yuy h GLU 464 N 0.22 1.13 -0.57 2.37 4.81 -1.16 0.51 114.58 121.90 1yuy h GLU 464 Ca 0.07 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1yuy h GLU 464 Cb 0.44 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1yuy h GLU 464 CO 0.02 0.77 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.89 1yuy h ARG 465 N 1.16 1.06 0.17 1.92 9.65 -1.25 0.25 114.38 127.34 1yuy h ARG 465 Ca 0.31 -0.38 -0.34 0.00 -1.10 0.00 0.00 59.98 58.48 1yuy h ARG 465 Cb -0.10 -0.08 0.01 0.00 -1.39 0.00 0.00 29.97 28.41 1yuy h ARG 465 CO -0.06 1.07 -1.65 -0.07 2.80 0.00 0.00 179.97 182.07 1yuy h LEU 466 N 0.94 0.58 0.00 3.80 3.38 -0.94 -3.41 115.31 119.66 1yuy h LEU 466 Ca 0.15 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1yuy h LEU 466 Cb 0.65 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1yuy h LEU 466 CO 0.04 1.67 -0.79 1.41 0.09 0.00 0.00 178.44 180.86 1yuy n HIS 467 N -3.56 0.00 0.00 1.13 8.25 0.18 -4.61 115.22 116.60 1yuy n HIS 467 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1yuy n HIS 467 Cb 1.07 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 32.11 1yuy n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yuy n GLY 468 N 1.65 0.01 0.32 -1.41 0.00 0.89 -4.38 105.19 102.28 1yuy n GLY 468 Ca -0.00 -1.73 0.17 0.00 0.00 0.00 0.00 46.02 44.46 1yuy n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yuy h LEU 469 N 0.00 0.00 -1.61 0.99 3.38 -1.88 -1.89 115.31 114.29 1yuy h LEU 469 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1yuy h LEU 469 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1yuy h LEU 469 CO 0.00 0.00 0.40 0.44 0.09 0.00 0.00 178.44 179.37 1yuy h ASP 470 N 0.00 0.40 -0.00 -0.43 3.32 -1.95 -1.51 116.42 116.23 1yuy h ASP 470 Ca 0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1yuy h ASP 470 Cb 0.22 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1yuy h ASP 470 CO -0.00 0.24 0.28 0.00 -1.72 0.00 0.00 179.24 178.04 1yuy h ALA 471 N 1.69 1.29 -0.16 3.45 0.00 -1.54 0.17 119.26 124.16 1yuy h ALA 471 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1yuy h ALA 471 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1yuy h ALA 471 CO -0.08 -0.28 0.00 1.19 0.00 0.00 0.00 179.25 180.08 1yuy n PHE 472 N -2.93 0.18 -1.19 0.00 3.72 -0.57 -4.52 117.46 112.15 1yuy n PHE 472 Ca -0.02 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1yuy n PHE 472 Cb 0.33 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1yuy n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1yuy n SER 473 N 1.37 0.24 -4.77 4.37 7.64 0.57 -4.59 113.62 118.45 1yuy n SER 473 Ca 0.16 -1.43 -0.37 0.00 1.01 0.00 0.00 58.87 58.24 1yuy n SER 473 Cb 0.59 -0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1yuy n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1yuy s LEU 474 N -0.18 3.98 0.26 -3.43 1.43 -0.91 -3.98 118.68 115.84 1yuy s LEU 474 Ca 0.01 2.34 -0.18 0.00 -1.03 0.00 0.00 54.13 55.28 1yuy s LEU 474 Cb 0.01 -4.27 0.01 0.00 0.03 0.00 0.00 46.19 41.97 1yuy s LEU 474 CO 0.00 -1.01 0.61 -1.38 0.23 0.00 0.00 176.35 174.80 1yuy s HIS 475 N -1.53 0.02 -0.90 0.29 -3.43 -0.57 -4.96 115.29 104.20 1yuy s HIS 475 Ca 0.65 -0.43 -0.03 0.00 -0.80 0.00 0.00 55.06 54.45 1yuy s HIS 475 Cb -0.29 0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 31.30 1yuy s HIS 475 CO 0.35 -1.11 0.81 2.41 -2.00 0.00 0.00 174.74 175.20 1yuy n THR 476 N -0.42 -9.61 -1.62 -5.38 -1.04 -1.26 -0.74 114.28 94.21 1yuy n THR 476 Ca -0.04 -0.84 -0.30 0.00 -2.04 0.00 0.00 64.05 60.83 1yuy n THR 476 Cb 0.60 -6.71 0.09 0.00 -1.82 0.00 0.00 70.33 62.50 1yuy n THR 476 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1yuy s TYR 477 N -3.21 2.84 0.63 -1.42 2.02 -1.26 -3.97 117.35 112.98 1yuy s TYR 477 Ca 0.25 1.04 -0.14 0.00 -0.37 0.00 0.00 57.07 57.85 1yuy s TYR 477 Cb -0.03 -3.20 -0.02 0.00 -0.40 0.00 0.00 41.96 38.31 1yuy s TYR 477 CO 0.74 -1.82 1.06 0.95 -1.57 0.00 0.00 175.55 174.91 1yuy s THR 478 N -3.24 3.81 0.26 -0.71 -4.23 -1.24 -4.85 115.64 105.43 1yuy s THR 478 Ca 0.61 0.77 -0.04 0.00 -1.18 0.00 0.00 61.69 61.85 1yuy s THR 478 Cb -0.14 -3.35 0.26 0.00 1.34 0.00 0.00 72.50 70.62 1yuy s THR 478 CO 0.53 -0.60 1.90 -0.65 -0.54 0.00 0.00 174.62 175.26 1yuy h PRO 479 N 0.02 1.19 -0.33 3.99 0.11 -1.96 -0.39 132.00 134.63 1yuy h PRO 479 Ca -0.46 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.60 1yuy h PRO 479 Cb 1.22 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1yuy h PRO 479 CO 0.57 0.79 0.17 1.25 -0.21 0.00 0.00 178.00 180.57 1yuy h HIS 480 N 1.23 0.32 -0.14 0.65 2.76 -1.99 0.76 115.15 118.75 1yuy h HIS 480 Ca 0.41 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.57 1yuy h HIS 480 Cb 0.05 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1yuy h HIS 480 CO -0.00 0.18 0.01 1.49 -1.30 0.00 0.00 177.93 178.31 1yuy h GLU 481 N 0.36 0.24 -0.70 5.26 4.57 -1.75 -1.30 114.58 121.25 1yuy h GLU 481 Ca 0.13 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1yuy h GLU 481 Cb 0.03 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1yuy h GLU 481 CO -0.08 0.45 0.34 -0.07 -1.18 0.00 0.00 179.01 178.47 1yuy h LEU 482 N -0.01 0.92 -0.44 1.64 3.38 -0.97 -1.06 115.31 118.76 1yuy h LEU 482 Ca 0.04 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1yuy h LEU 482 Cb 0.34 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1yuy h LEU 482 CO 0.01 0.79 0.10 0.74 0.09 0.00 0.00 178.44 180.17 1yuy h THR 483 N 0.98 1.23 -0.54 0.22 2.02 -0.81 -1.04 112.91 114.97 1yuy h THR 483 Ca 0.24 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 1yuy h THR 483 Cb 0.12 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1yuy h THR 483 CO -0.03 0.29 0.24 -0.09 0.37 0.00 0.00 175.52 176.30 1yuy h ARG 484 N 0.58 0.80 -0.33 6.66 2.43 -0.93 -0.78 114.38 122.80 1yuy h ARG 484 Ca 0.14 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1yuy h ARG 484 Cb 0.33 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1yuy h ARG 484 CO 0.00 0.68 -0.15 0.28 -1.51 0.00 0.00 179.97 179.27 1yuy h VAL 485 N 0.73 1.29 -0.75 0.20 2.07 -1.11 -2.09 116.25 116.59 1yuy h VAL 485 Ca 0.18 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1yuy h VAL 485 Cb 0.16 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1yuy h VAL 485 CO -0.02 0.41 0.38 0.00 0.02 0.00 0.00 177.57 178.36 1yuy h ALA 486 N 0.78 0.96 -0.68 1.67 0.00 -1.02 -1.93 119.26 119.04 1yuy h ALA 486 Ca 0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1yuy h ALA 486 Cb 0.68 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1yuy h ALA 486 CO 0.05 0.51 0.24 0.77 0.00 0.00 0.00 179.25 180.81 1yuy h SER 487 N 1.05 0.97 -0.37 0.00 0.02 -1.08 -1.71 113.55 112.43 1yuy h SER 487 Ca 0.26 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1yuy h SER 487 Cb 0.09 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1yuy h SER 487 CO -0.04 0.90 0.20 0.00 -1.14 0.00 0.00 176.83 176.76 1yuy h ALA 488 N 1.10 0.47 -0.51 3.77 0.00 -1.05 0.02 119.26 123.06 1yuy h ALA 488 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1yuy h ALA 488 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1yuy h ALA 488 CO -0.01 -0.01 0.26 -0.07 0.00 0.00 0.00 179.25 179.41 1yuy h LEU 489 N 0.47 0.66 -0.80 0.00 3.38 -1.13 -1.63 115.31 116.26 1yuy h LEU 489 Ca 0.13 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1yuy h LEU 489 Cb 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1yuy h LEU 489 CO -0.02 0.59 -0.42 0.08 0.09 0.00 0.00 178.44 178.75 1yuy h ARG 490 N 0.68 0.38 -0.73 1.13 0.11 -1.11 0.27 114.38 115.11 1yuy h ARG 490 Ca 0.18 -0.19 -0.05 0.00 0.10 0.00 0.00 59.98 60.01 1yuy h ARG 490 Cb 0.10 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.15 1yuy h ARG 490 CO -0.02 0.74 0.26 -0.22 0.10 0.00 0.00 179.97 180.83 1yuy h LYS 491 N 0.32 1.11 -0.00 0.08 3.64 -0.68 -2.45 116.57 118.58 1yuy h LYS 491 Ca 0.03 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1yuy h LYS 491 Cb 0.88 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1yuy h LYS 491 CO 0.07 0.92 -0.18 1.28 -2.27 0.00 0.00 179.45 179.28 1yuy n LEU 492 N -4.27 0.54 -1.22 5.20 4.77 -0.64 -4.92 117.00 116.46 1yuy n LEU 492 Ca 0.06 -0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1yuy n LEU 492 Cb 0.20 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1yuy n LEU 492 CO 0.41 0.11 -0.03 0.61 -1.33 0.00 0.00 177.39 177.15 1yuy n GLY 493 N 1.34 0.15 3.93 -0.72 0.00 -0.39 -2.27 105.19 107.22 1yuy n GLY 493 Ca 0.12 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 1yuy n GLY 493 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yuy s ALA 494 N -2.66 3.68 0.59 4.61 0.00 0.82 -1.14 121.76 127.67 1yuy s ALA 494 Ca 0.08 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 51.09 1yuy s ALA 494 Cb -0.04 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1yuy s ALA 494 CO 0.10 0.12 1.20 -1.25 0.00 0.00 0.00 175.76 175.94 1yuy s PRO 495 N -3.93 2.97 0.89 0.00 0.04 -1.26 -4.52 135.00 129.19 1yuy s PRO 495 Ca 0.41 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 63.16 1yuy s PRO 495 Cb -0.10 -1.93 0.12 0.00 0.04 0.00 0.00 34.50 32.63 1yuy s PRO 495 CO 0.33 -1.20 1.09 -1.25 0.04 0.00 0.00 177.00 176.01 1yuy s PRO 496 N -3.34 1.31 0.37 0.56 0.04 -1.26 -4.81 135.00 127.87 1yuy s PRO 496 Ca 0.77 0.88 0.11 0.00 0.04 0.00 0.00 61.00 62.80 1yuy s PRO 496 Cb -0.30 -1.81 0.87 0.00 0.04 0.00 0.00 34.50 33.30 1yuy s PRO 496 CO 0.33 -2.22 1.86 -0.07 0.04 0.00 0.00 177.00 176.94 1yuy h LEU 497 N -1.54 0.61 -1.69 -3.56 3.38 -1.96 -0.83 115.31 109.72 1yuy h LEU 497 Ca -0.49 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1yuy h LEU 497 Cb 1.28 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1yuy h LEU 497 CO 0.54 0.29 -0.16 0.08 0.09 0.00 0.00 178.44 179.27 1yuy h ARG 498 N 0.63 0.00 0.03 1.13 0.11 -2.00 -1.03 114.38 113.26 1yuy h ARG 498 Ca 0.46 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.31 1yuy h ARG 498 Cb 0.81 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.89 1yuy h ARG 498 CO -0.21 0.16 -1.00 0.00 0.10 0.00 0.00 179.97 179.03 1yuy h ALA 499 N 1.84 0.34 -0.14 0.08 0.00 -1.50 -2.74 119.26 117.13 1yuy h ALA 499 Ca -0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 54.91 54.07 1yuy h ALA 499 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1yuy h ALA 499 CO 0.02 0.90 -0.26 -1.49 0.00 0.00 0.00 179.25 178.41 1yuy h TRP 500 N 0.15 0.28 -0.52 0.00 4.06 -1.03 -1.80 115.95 117.08 1yuy h TRP 500 Ca -0.08 -0.05 -0.09 0.00 2.06 0.00 0.00 58.89 60.73 1yuy h TRP 500 Cb 1.66 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 29.73 1yuy h TRP 500 CO 0.05 0.50 -0.03 -0.22 -3.56 0.00 0.00 178.44 175.18 1yuy h LYS 501 N 0.23 0.95 -0.54 0.49 3.64 -1.12 0.79 116.57 121.00 1yuy h LYS 501 Ca 0.04 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1yuy h LYS 501 Cb 0.59 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1yuy h LYS 501 CO 0.04 0.98 0.34 0.77 -2.27 0.00 0.00 179.45 179.31 1yuy h SER 502 N 0.82 0.64 -0.58 4.20 0.02 -1.14 -2.78 113.55 114.72 1yuy h SER 502 Ca 0.14 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 1yuy h SER 502 Cb 0.58 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1yuy h SER 502 CO 0.03 0.49 -0.04 0.03 -1.14 0.00 0.00 176.83 176.21 1yuy h ARG 503 N 0.73 1.06 -0.50 3.45 3.08 -1.11 -3.11 114.38 117.98 1yuy h ARG 503 Ca 0.20 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 59.90 1yuy h ARG 503 Cb -0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1yuy h ARG 503 CO -0.04 1.05 0.33 0.00 -1.07 0.00 0.00 179.97 180.25 1yuy h ALA 504 N 0.98 1.65 -0.91 0.04 0.00 -0.58 -1.98 119.26 118.46 1yuy h ALA 504 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1yuy h ALA 504 Cb 0.60 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1yuy h ALA 504 CO 0.04 0.33 0.56 -0.09 0.00 0.00 0.00 179.25 180.08 1yuy h ARG 505 N 0.67 1.23 -0.36 0.00 2.43 -1.43 0.11 114.38 117.03 1yuy h ARG 505 Ca 0.18 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 1yuy h ARG 505 Cb -0.07 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.21 1yuy h ARG 505 CO -0.04 0.85 -0.38 0.00 -1.51 0.00 0.00 179.97 178.89 1yuy h ALA 506 N 1.30 0.63 -0.49 2.80 0.00 -1.47 -2.26 119.26 119.76 1yuy h ALA 506 Ca 0.33 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1yuy h ALA 506 Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1yuy h ALA 506 CO -0.06 0.67 0.04 0.28 0.00 0.00 0.00 179.25 180.18 1yuy h VAL 507 N 0.72 1.26 -0.11 0.00 2.07 -0.97 -1.93 116.25 117.29 1yuy h VAL 507 Ca 0.06 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.60 1yuy h VAL 507 Cb 0.96 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1yuy h VAL 507 CO 0.09 0.35 -0.01 -0.09 0.02 0.00 0.00 177.57 177.93 1yuy h ARG 508 N 0.71 0.02 -0.49 1.57 2.43 -0.73 -1.18 114.38 116.72 1yuy h ARG 508 Ca 0.15 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1yuy h ARG 508 Cb 0.45 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1yuy h ARG 508 CO 0.02 0.01 0.29 0.00 -1.51 0.00 0.00 179.97 178.78 1yuy h ALA 509 N 1.10 0.63 -0.58 2.80 0.00 -1.29 -0.93 119.26 120.99 1yuy h ALA 509 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1yuy h ALA 509 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1yuy h ALA 509 CO -0.09 -0.01 0.30 0.77 0.00 0.00 0.00 179.25 180.21 1yuy h SER 510 N 0.58 0.75 -0.23 0.00 0.02 -1.12 -0.99 113.55 112.57 1yuy h SER 510 Ca 0.20 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1yuy h SER 510 Cb 0.02 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1yuy h SER 510 CO -0.09 0.65 0.13 -0.07 -1.14 0.00 0.00 176.83 176.31 1yuy h LEU 511 N 0.79 0.27 -0.83 5.07 3.38 -0.84 -2.70 115.31 120.44 1yuy h LEU 511 Ca 0.20 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1yuy h LEU 511 Cb 0.09 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1yuy h LEU 511 CO -0.03 0.25 0.50 0.40 0.09 0.00 0.00 178.44 179.65 1yuy h ILE 512 N 0.27 1.23 -0.24 1.22 2.04 -0.98 -1.69 117.51 119.36 1yuy h ILE 512 Ca 0.08 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.50 1yuy h ILE 512 Cb 0.03 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1yuy h ILE 512 CO -0.01 0.24 0.22 0.28 0.00 0.00 0.00 178.15 178.87 1yuy h SER 513 N 1.14 0.00 1.42 1.72 0.02 -0.87 -0.61 113.55 116.38 1yuy h SER 513 Ca 0.30 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1yuy h SER 513 Cb -0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1yuy h SER 513 CO -0.06 0.00 -0.10 0.03 -1.14 0.00 0.00 176.83 175.56 1yuy h ARG 514 N 0.00 0.00 0.00 3.45 3.08 -1.08 -3.50 114.38 116.33 1yuy h ARG 514 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1yuy h ARG 514 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1yuy h ARG 514 CO -0.00 0.10 0.00 0.41 -1.07 0.00 0.00 179.97 179.41 1yuy n GLY 515 N 0.60 -1.14 7.00 0.04 0.00 -0.24 -4.81 105.19 106.63 1yuy n GLY 515 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1yuy n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yuy n GLY 516 N 0.00 1.55 0.21 -0.02 0.00 -1.26 -1.75 105.19 103.92 1yuy n GLY 516 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.51 1yuy n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1yuy h ARG 517 N 0.00 0.13 -0.73 1.61 3.08 -1.93 -2.63 114.38 113.92 1yuy h ARG 517 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1yuy h ARG 517 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1yuy h ARG 517 CO 0.00 0.40 0.47 0.00 -1.07 0.00 0.00 179.97 179.77 1yuy h ALA 518 N 1.61 0.93 -0.43 0.04 0.00 -1.80 -1.30 119.26 118.30 1yuy h ALA 518 Ca 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1yuy h ALA 518 Cb 0.54 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1yuy h ALA 518 CO 0.04 0.37 0.01 0.00 0.00 0.00 0.00 179.25 179.66 1yuy h ALA 519 N 1.26 1.21 -0.53 0.00 0.00 -0.98 -1.21 119.26 119.01 1yuy h ALA 519 Ca 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1yuy h ALA 519 Cb -0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1yuy h ALA 519 CO -0.06 0.52 0.20 0.28 0.00 0.00 0.00 179.25 180.19 1yuy h VAL 520 N 0.65 1.22 -0.61 0.00 2.07 -1.16 -0.32 116.25 118.10 1yuy h VAL 520 Ca 0.13 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1yuy h VAL 520 Cb 0.40 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1yuy h VAL 520 CO 0.01 0.27 0.40 0.00 0.02 0.00 0.00 177.57 178.27 1yuy h GLY 522 N 0.83 0.43 1.14 0.00 0.00 -0.78 0.27 103.07 104.98 1yuy h GLY 522 Ca 0.22 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 1yuy h GLY 522 CO -0.05 0.20 -0.18 3.21 0.00 0.00 0.00 176.54 179.72 1yuy h ARG 523 N 0.32 0.98 0.00 4.80 3.08 -0.85 -2.90 114.38 119.82 1yuy h ARG 523 Ca 0.10 -0.40 -0.16 0.00 0.07 0.00 0.00 59.98 59.59 1yuy h ARG 523 Cb 0.11 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1yuy h ARG 523 CO -0.01 1.07 -0.85 1.88 -1.07 0.00 0.00 179.97 180.99 1yuy h TYR 524 N 0.86 0.01 0.00 3.04 0.05 -1.16 -3.27 116.97 116.50 1yuy h TYR 524 Ca 0.12 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.83 1yuy h TYR 524 Cb 0.75 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 1yuy h TYR 524 CO 0.05 1.33 -0.29 -0.07 -1.05 0.00 0.00 178.16 178.13 1yuy h LEU 525 N -0.98 0.00 -3.04 3.88 3.38 -1.09 -3.29 115.31 114.17 1yuy h LEU 525 Ca -0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1yuy h LEU 525 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1yuy h LEU 525 CO -0.14 0.29 -0.30 0.49 0.09 0.00 0.00 178.44 178.87 1yuy n PHE 526 N -3.62 0.12 0.25 1.13 3.72 -1.09 -4.67 117.46 113.29 1yuy n PHE 526 Ca -0.01 -1.34 0.10 0.00 -0.05 0.00 0.00 57.45 56.15 1yuy n PHE 526 Cb 0.41 -0.24 0.64 0.00 -0.94 0.00 0.00 39.48 39.35 1yuy n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1yuy h ASN 527 N 0.72 0.00 0.86 4.37 -0.00 -1.63 -1.83 115.58 118.08 1yuy h ASN 527 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.31 1yuy h ASN 527 Cb 1.07 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.39 1yuy h ASN 527 CO 0.04 0.16 -0.03 4.11 -0.00 0.00 0.00 177.43 181.70 1yuy h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.83 -3.12 115.95 116.75 1yuy h TRP 528 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1yuy h TRP 528 Cb 0.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 1yuy h TRP 528 CO 0.00 0.03 0.00 0.00 -1.28 0.00 0.00 178.44 177.19 1yuy n ALA 529 N -2.11 2.23 -2.53 0.11 0.00 -0.69 -4.83 120.51 112.69 1yuy n ALA 529 Ca -0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 1yuy n ALA 529 Cb 0.29 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 1yuy n ALA 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1yuy s VAL 530 N -3.08 3.00 0.10 0.00 -7.23 -1.18 -4.74 120.40 107.28 1yuy s VAL 530 Ca 0.11 -1.63 -0.03 0.00 -1.81 0.00 0.00 61.98 58.62 1yuy s VAL 530 Cb 0.14 -2.44 -0.24 0.00 0.56 0.00 0.00 36.38 34.40 1yuy s VAL 530 CO 0.55 -0.03 1.22 0.07 -0.31 0.00 0.00 175.10 176.59 1yuy h LYS 531 N 3.24 0.30 -4.68 4.82 2.10 -1.88 -3.38 116.57 117.08 1yuy h LYS 531 Ca -0.48 -0.42 -0.72 0.00 -2.00 0.00 0.00 60.65 57.02 1yuy h LYS 531 Cb 1.19 0.15 -0.20 0.00 -0.90 0.00 0.00 32.23 32.47 1yuy h LYS 531 CO 0.51 1.16 0.85 0.99 -2.00 0.00 0.00 179.45 180.96 1yuy s THR 532 N -2.89 5.03 0.64 0.07 2.01 -1.26 -5.02 115.64 114.22 1yuy s THR 532 Ca -0.04 -2.13 -0.18 0.00 0.31 0.00 0.00 61.69 59.65 1yuy s THR 532 Cb 0.08 -4.76 -0.02 0.00 0.01 0.00 0.00 72.50 67.81 1yuy s THR 532 CO 0.87 -1.45 1.20 0.29 -0.69 0.00 0.00 174.62 174.85 1yuy n LYS 533 N 5.67 1.02 -3.54 4.92 4.01 -1.26 -5.03 118.16 123.95 1yuy n LYS 533 Ca 0.26 0.40 -0.21 0.00 -0.51 0.00 0.00 58.31 58.26 1yuy n LYS 533 Cb 0.46 -2.44 -0.01 0.00 -0.51 0.00 0.00 35.03 32.54 1yuy n LYS 533 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1yuy s LEU 534 N -3.80 4.04 0.00 -0.35 1.02 -1.26 -5.06 118.68 113.26 1yuy s LEU 534 Ca 0.81 0.06 0.00 0.00 0.02 0.00 0.00 54.13 55.02 1yuy s LEU 534 Cb -0.39 -2.93 0.00 0.00 0.02 0.00 0.00 46.19 42.89 1yuy s LEU 534 CO 0.42 -0.34 0.79 2.29 0.02 0.00 0.00 176.35 179.53 1yuy n LYS 535 N -1.66 0.00 -1.71 1.70 2.85 -1.26 -5.01 118.16 113.07 1yuy n LYS 535 Ca -0.03 0.54 -0.00 0.00 -1.05 0.00 0.00 58.31 57.76 1yuy n LYS 535 Cb 0.57 -1.29 -0.00 0.00 -0.65 0.00 0.00 35.03 33.66 1yuy n LYS 535 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1yuy n LEU 536 N -1.76 -2.95 -4.75 -5.58 4.32 -1.26 -5.10 117.00 99.93 1yuy n LEU 536 Ca 0.00 0.33 -0.22 0.00 -0.02 0.00 0.00 56.01 56.09 1yuy n LEU 536 Cb 0.00 -1.42 -0.06 0.00 -1.62 0.00 0.00 43.42 40.32 1yuy n LEU 536 CO 0.00 -0.65 -0.21 0.42 -1.22 0.00 0.00 177.39 175.73 1yuy s THR 537 N -0.22 3.54 0.25 -5.08 -4.23 -1.26 -5.07 115.64 103.56 1yuy s THR 537 Ca -0.02 -1.64 -0.30 0.00 -1.18 0.00 0.00 61.69 58.55 1yuy s THR 537 Cb 0.00 -3.07 -0.14 0.00 1.34 0.00 0.00 72.50 70.63 1yuy s THR 537 CO 0.14 -0.27 1.11 -2.65 -0.54 0.00 0.00 174.62 172.41 1yuy n PRO 538 N -1.12 1.39 -3.11 3.99 -0.02 -1.26 -4.93 135.00 129.94 1yuy n PRO 538 Ca -0.05 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.52 1yuy n PRO 538 Cb 0.60 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 32.08 1yuy n PRO 538 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yuy s LEU 539 N 0.45 4.18 0.18 2.45 1.43 -1.26 -4.98 118.68 121.14 1yuy s LEU 539 Ca 0.64 0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 54.51 1yuy s LEU 539 Cb -0.74 -2.92 0.18 0.00 0.03 0.00 0.00 46.19 42.74 1yuy s LEU 539 CO 0.56 -0.23 1.70 -0.65 0.23 0.00 0.00 176.35 177.97 1yuy h PRO 540 N 7.29 0.17 0.00 1.29 0.11 -2.02 -0.89 132.00 137.95 1yuy h PRO 540 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1yuy h PRO 540 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1yuy h PRO 540 CO 0.77 0.11 0.00 -0.85 -0.21 0.00 0.00 178.00 177.83 1yuy n GLU 541 N -5.16 0.01 0.05 1.05 0.00 -1.26 -2.12 120.64 113.21 1yuy n GLU 541 Ca 0.05 0.41 -0.04 0.00 0.00 0.00 0.00 57.16 57.57 1yuy n GLU 541 Cb 0.25 -1.53 0.17 0.00 0.00 0.00 0.00 31.44 30.33 1yuy n GLU 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1yuy h ALA 542 N 2.21 0.99 -0.00 -1.84 0.00 -1.43 -2.97 119.26 116.21 1yuy h ALA 542 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 1yuy h ALA 542 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1yuy h ALA 542 CO 0.00 0.62 -0.73 0.00 0.00 0.00 0.00 179.25 179.14 1yuy h ARG 543 N 0.30 0.04 0.00 0.00 -0.00 -1.56 -3.07 114.38 110.09 1yuy h ARG 543 Ca 0.03 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1yuy h ARG 543 Cb 0.87 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.85 1yuy h ARG 543 CO 0.07 0.75 0.00 1.28 0.00 0.00 0.00 179.97 182.07 1yuy n LEU 544 N -3.69 0.00 -4.73 3.04 4.32 -1.12 -4.81 117.00 110.01 1yuy n LEU 544 Ca -0.01 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.58 1yuy n LEU 544 Cb 0.71 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.46 1yuy n LEU 544 CO 0.44 0.00 0.37 -0.76 -1.22 0.00 0.00 177.39 176.22 1yuy s LEU 545 N -1.15 4.34 -0.81 2.23 1.43 -1.16 -4.97 118.68 118.59 1yuy s LEU 545 Ca 0.06 1.18 -0.06 0.00 -1.03 0.00 0.00 54.13 54.28 1yuy s LEU 545 Cb 0.03 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1yuy s LEU 545 CO 0.05 -0.06 2.82 -0.67 0.23 0.00 0.00 176.35 178.72 1yuy n ASP 546 N 3.50 7.08 -4.69 2.29 -0.08 -1.26 -4.91 116.55 118.47 1yuy n ASP 546 Ca -0.03 -2.98 -0.32 0.00 -1.51 0.00 0.00 54.79 49.95 1yuy n ASP 546 Cb 0.51 -1.35 -0.08 0.00 2.34 0.00 0.00 41.12 42.54 1yuy n ASP 546 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1yuy s LEU 547 N -1.50 3.53 0.00 -2.67 1.43 -1.26 -4.82 118.68 113.40 1yuy s LEU 547 Ca 0.60 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1yuy s LEU 547 Cb 0.28 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1yuy s LEU 547 CO -0.12 0.25 0.00 -0.24 0.23 0.00 0.00 176.35 176.46 1yuy n SER 548 N 1.13 0.00 -0.21 2.29 2.88 -1.26 -4.90 113.62 113.55 1yuy n SER 548 Ca -0.13 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.48 1yuy n SER 548 Cb 0.52 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.08 1yuy n SER 548 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1yuy n SER 549 N 0.00 1.67 -0.26 -3.46 7.64 -1.26 -4.80 113.62 113.15 1yuy n SER 549 Ca 0.00 -2.79 0.24 0.00 1.01 0.00 0.00 58.87 57.33 1yuy n SER 549 Cb 0.00 -0.37 0.59 0.00 -1.01 0.00 0.00 64.21 63.42 1yuy n SER 549 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1yuy h TRP 550 N 0.02 0.38 0.09 1.43 7.01 -1.90 0.07 115.95 123.06 1yuy h TRP 550 Ca -0.00 0.01 -0.34 0.00 2.11 0.00 0.00 58.89 60.67 1yuy h TRP 550 Cb 1.12 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.04 1yuy h TRP 550 CO 0.04 0.07 -1.84 0.74 -2.79 0.00 0.00 178.44 174.66 1yuy h PHE 551 N 0.26 0.36 -0.48 2.65 -1.00 -1.87 -3.36 116.94 113.50 1yuy h PHE 551 Ca 0.50 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 61.02 1yuy h PHE 551 Cb 1.51 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 41.04 1yuy h PHE 551 CO -0.00 1.51 0.31 1.15 -1.61 0.00 0.00 178.31 179.67 1yuy h THR 552 N 0.05 1.13 -0.03 -1.55 2.02 -1.20 -1.86 112.91 111.47 1yuy h THR 552 Ca -0.36 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 66.56 1yuy h THR 552 Cb 2.03 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1yuy h THR 552 CO 0.10 0.13 0.08 -0.37 0.37 0.00 0.00 175.52 175.83 1yuy h VAL 553 N 0.64 0.20 0.00 3.16 -1.51 -1.20 0.29 116.25 117.83 1yuy h VAL 553 Ca 0.17 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.57 1yuy h VAL 553 Cb -0.05 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.03 1yuy h VAL 553 CO -0.04 0.00 -0.37 1.23 -1.23 0.00 0.00 177.57 177.16 1yuy h GLY 554 N 0.00 0.00 -6.97 5.19 0.00 -1.48 -3.47 103.07 96.34 1yuy h GLY 554 Ca 0.01 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.75 1yuy h GLY 554 CO -0.00 0.00 -0.93 0.00 0.00 0.00 0.00 176.54 175.61 1yuy n ALA 555 N -2.24 -1.82 0.00 3.60 0.00 0.10 -3.74 120.51 116.42 1yuy n ALA 555 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1yuy n ALA 555 Cb 0.58 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1yuy n ALA 555 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yuy n GLY 556 N -2.12 1.63 0.00 0.00 0.00 -1.26 -4.54 105.19 98.90 1yuy n GLY 556 Ca -0.22 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1yuy n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yuy n GLY 557 N 0.00 4.75 0.00 -0.02 0.00 -1.23 -3.30 105.19 105.39 1yuy n GLY 557 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1yuy n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yuy n GLY 558 N 3.22 1.20 2.21 -0.02 0.00 -1.26 -4.62 105.19 105.92 1yuy n GLY 558 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1yuy n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yuy n ASP 559 N 0.00 -2.44 -4.29 1.61 2.03 -1.26 -4.45 116.55 107.76 1yuy n ASP 559 Ca 0.00 -0.31 -0.31 0.00 0.52 0.00 0.00 54.79 54.69 1yuy n ASP 559 Cb 0.00 -2.75 -0.16 0.00 -0.72 0.00 0.00 41.12 37.49 1yuy n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1yuy s ILE 560 N -3.18 2.04 0.03 5.18 -1.09 -1.26 -4.44 121.20 118.49 1yuy s ILE 560 Ca 0.04 -1.09 0.06 0.00 -2.23 0.00 0.00 60.65 57.43 1yuy s ILE 560 Cb -0.01 -1.71 -0.02 0.00 -1.58 0.00 0.00 42.46 39.14 1yuy s ILE 560 CO 0.35 0.57 -0.16 -0.47 -1.23 0.00 0.00 174.94 174.00 1yuy s TYR 561 N -0.40 1.44 -0.04 3.97 5.04 0.83 -1.68 117.35 126.51 1yuy s TYR 561 Ca 0.04 -0.34 -0.00 0.00 -2.44 0.00 0.00 57.07 54.32 1yuy s TYR 561 Cb -0.12 -0.87 0.03 0.00 0.35 0.00 0.00 41.96 41.35 1yuy s TYR 561 CO 0.01 0.04 0.01 -1.01 -1.34 0.00 0.00 175.55 173.26 1yuy s HIS 562 N -0.74 0.38 0.00 4.97 3.76 -0.86 -4.64 115.29 118.16 1yuy s HIS 562 Ca 0.04 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 1yuy s HIS 562 Cb -0.08 -0.52 0.00 0.00 1.11 0.00 0.00 32.58 33.09 1yuy s HIS 562 CO 0.01 -0.19 0.00 -1.13 -0.85 0.00 0.00 174.74 172.58