#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jan h LEU 6 N 0.00 0.00 0.02 9.51 4.07 -2.00 -1.23 115.31 125.68 2jan h LEU 6 Ca 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.71 2jan h LEU 6 Cb 0.00 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.76 2jan h LEU 6 CO 0.00 0.51 -1.00 0.44 -1.08 0.00 0.00 178.44 177.32 2jan h ASP 7 N 0.00 0.84 0.02 -0.43 3.32 -2.03 -0.90 116.42 117.24 2jan h ASP 7 Ca -0.01 -0.76 0.03 0.00 0.02 0.00 0.00 57.03 56.32 2jan h ASP 7 Cb 1.02 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 2jan h ASP 7 CO 0.07 1.49 -0.34 -0.33 -1.72 0.00 0.00 179.24 178.41 2jan h GLU 8 N 0.28 -0.49 -0.52 3.56 4.39 -1.99 -1.36 114.58 118.44 2jan h GLU 8 Ca -0.13 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2jan h GLU 8 Cb 1.67 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 30.40 2jan h GLU 8 CO 0.20 -0.33 0.17 -0.07 -1.16 0.00 0.00 179.01 177.82 2jan h LEU 9 N -0.51 0.71 -0.19 1.33 3.38 -1.30 -2.61 115.31 116.12 2jan h LEU 9 Ca 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2jan h LEU 9 Cb 0.58 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2jan h LEU 9 CO -0.26 0.67 0.07 -1.28 0.09 0.00 0.00 178.44 177.73 2jan h SER 10 N 0.76 0.26 0.42 -0.43 0.87 -0.69 -0.52 113.55 114.23 2jan h SER 10 Ca 0.18 -0.18 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 2jan h SER 10 Cb 0.21 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2jan h SER 10 CO -0.01 0.37 -0.98 4.11 -0.53 0.00 0.00 176.83 179.79 2jan h TRP 11 N 0.14 0.55 0.00 2.24 5.08 -1.24 -2.93 115.95 119.79 2jan h TRP 11 Ca 0.06 -0.31 0.00 0.00 1.08 0.00 0.00 58.89 59.72 2jan h TRP 11 Cb 0.20 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.30 2jan h TRP 11 CO -0.01 1.15 0.00 0.00 -1.28 0.00 0.00 178.44 178.30 2jan h ARG 12 N 0.19 0.00 -1.89 0.12 3.08 -1.47 -3.47 114.38 110.94 2jan h ARG 12 Ca -0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 2jan h ARG 12 Cb 1.63 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.70 2jan h ARG 12 CO 0.17 0.00 -0.10 0.41 -1.07 0.00 0.00 179.97 179.38 2jan n GLY 13 N -0.30 0.64 0.61 0.04 0.00 -0.77 -4.70 105.19 100.70 2jan n GLY 13 Ca 0.01 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.62 2jan n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jan n LEU 14 N -1.21 2.23 -4.43 0.99 4.77 -0.27 -4.81 117.00 114.26 2jan n LEU 14 Ca -0.01 -0.87 -0.44 0.00 -0.03 0.00 0.00 56.01 54.67 2jan n LEU 14 Cb 0.51 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2jan n LEU 14 CO 0.09 0.40 0.70 -0.63 -1.33 0.00 0.00 177.39 176.62 2jan s ILE 15 N -1.99 4.50 0.02 -0.08 1.01 -1.26 -3.96 121.20 119.44 2jan s ILE 15 Ca 0.20 -0.68 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 2jan s ILE 15 Cb 0.16 -4.65 -0.23 0.00 0.01 0.00 0.00 42.46 37.75 2jan s ILE 15 CO 0.39 -1.39 1.11 0.00 0.00 0.00 0.00 174.94 175.06 2jan h ALA 16 N 9.37 0.08 -2.31 9.38 0.00 -0.83 -3.47 119.26 131.48 2jan h ALA 16 Ca -0.23 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.05 2jan h ALA 16 Cb 1.07 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.73 2jan h ALA 16 CO 1.15 0.41 0.21 -1.14 0.00 0.00 0.00 179.25 179.89 2jan s GLN 17 N -3.22 1.11 0.22 0.00 0.74 -1.15 -4.97 119.66 112.39 2jan s GLN 17 Ca -0.13 0.01 -0.20 0.00 0.05 0.00 0.00 55.36 55.10 2jan s GLN 17 Cb 0.04 0.52 0.04 0.00 1.10 0.00 0.00 33.01 34.71 2jan s GLN 17 CO 0.84 -0.40 0.62 -1.54 -0.55 0.00 0.00 175.29 174.26 2jan s SER 18 N -1.71 -0.35 0.96 6.67 1.04 -1.26 0.81 113.70 119.86 2jan s SER 18 Ca -0.07 -0.40 -0.15 0.00 0.48 0.00 0.00 55.95 55.81 2jan s SER 18 Cb -0.00 0.64 0.18 0.00 0.10 0.00 0.00 66.02 66.94 2jan s SER 18 CO 0.02 -1.14 1.25 0.42 0.98 0.00 0.00 173.24 174.77 2jan s THR 19 N -3.86 1.95 -0.07 2.02 -4.23 0.26 -4.92 115.64 106.80 2jan s THR 19 Ca 0.08 0.00 -0.40 0.00 -1.18 0.00 0.00 61.69 60.19 2jan s THR 19 Cb -0.03 -2.90 -0.18 0.00 1.34 0.00 0.00 72.50 70.73 2jan s THR 19 CO -0.02 0.00 1.34 -0.67 -0.54 0.00 0.00 174.62 174.73 2jan n ASP 20 N -3.81 1.13 -0.01 3.99 -0.08 -1.26 -4.87 116.55 111.63 2jan n ASP 20 Ca 0.13 1.14 -0.13 0.00 -1.51 0.00 0.00 54.79 54.41 2jan n ASP 20 Cb 0.60 -1.05 -0.00 0.00 2.34 0.00 0.00 41.12 43.00 2jan n ASP 20 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2jan h LEU 21 N 4.46 0.76 0.35 -2.67 3.38 -1.98 -2.98 115.31 116.63 2jan h LEU 21 Ca -0.48 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.03 2jan h LEU 21 Cb 1.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2jan h LEU 21 CO 0.79 1.21 -0.27 0.44 0.09 0.00 0.00 178.44 180.70 2jan h ASP 22 N 0.48 -0.70 -0.72 -0.43 3.32 -1.98 0.78 116.42 117.16 2jan h ASP 22 Ca -0.01 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.17 2jan h ASP 22 Cb 1.24 0.22 -0.06 0.00 0.22 0.00 0.00 39.33 40.95 2jan h ASP 22 CO 0.13 -0.41 0.39 0.74 -1.72 0.00 0.00 179.24 178.37 2jan h THR 23 N -0.62 0.92 -0.22 0.35 2.02 -1.96 0.22 112.91 113.61 2jan h THR 23 Ca -0.03 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 2jan h THR 23 Cb 0.54 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2jan h THR 23 CO -0.01 0.13 0.01 0.25 0.37 0.00 0.00 175.52 176.27 2jan h LEU 24 N 0.69 0.37 -0.33 2.58 5.85 -1.32 -2.35 115.31 120.80 2jan h LEU 24 Ca 0.34 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2jan h LEU 24 Cb 0.28 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 2jan h LEU 24 CO -0.22 0.58 -0.08 0.00 -0.34 0.00 0.00 178.44 178.38 2jan h ALA 25 N 0.80 0.22 -0.46 1.25 0.00 0.12 -1.77 119.26 119.42 2jan h ALA 25 Ca 0.06 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.20 2jan h ALA 25 Cb 0.39 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 2jan h ALA 25 CO 0.01 -0.46 -0.24 0.00 0.00 0.00 0.00 179.25 178.56 2jan h ALA 26 N 1.33 0.06 0.00 0.00 0.00 -0.46 -0.86 119.26 119.33 2jan h ALA 26 Ca 0.16 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2jan h ALA 26 Cb 0.24 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2jan h ALA 26 CO -0.34 -0.60 -0.24 1.49 0.00 0.00 0.00 179.25 179.56 2jan h GLU 27 N -0.15 0.00 -0.45 0.00 4.81 -1.10 -2.42 114.58 115.27 2jan h GLU 27 Ca 0.21 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2jan h GLU 27 Cb 0.48 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2jan h GLU 27 CO -0.55 0.24 0.14 0.00 -0.73 0.00 0.00 179.01 178.10 2jan h ALA 28 N 1.76 0.59 0.14 2.92 0.00 -0.28 -3.09 119.26 121.29 2jan h ALA 28 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2jan h ALA 28 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jan h ALA 28 CO 0.03 0.24 -0.07 1.96 0.00 0.00 0.00 179.25 181.42 2jan h GLN 29 N 0.59 -0.18 -1.00 0.00 7.50 -1.30 -2.88 115.11 117.83 2jan h GLN 29 Ca 0.14 0.01 0.35 0.00 0.50 0.00 0.00 58.65 59.66 2jan h GLN 29 Cb 0.27 0.04 -0.11 0.00 0.05 0.00 0.00 27.48 27.74 2jan h GLN 29 CO -0.00 0.14 0.63 -2.13 -1.50 0.00 0.00 178.83 175.97 2jan n ARG 30 N -5.02 -0.03 0.00 1.46 0.63 -0.92 -4.83 116.66 107.94 2jan n ARG 30 Ca -0.09 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 2jan n ARG 30 Cb 0.21 -1.86 0.00 0.00 0.45 0.00 0.00 32.46 31.27 2jan n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jan n GLY 31 N -1.37 0.94 3.39 5.14 0.00 -1.09 -5.07 105.19 107.13 2jan n GLY 31 Ca 0.30 -1.97 -0.53 0.00 0.00 0.00 0.00 46.02 43.82 2jan n GLY 31 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jan n PRO 32 N -0.58 0.69 -1.77 1.61 -0.04 -1.26 -4.62 135.00 129.04 2jan n PRO 32 Ca 0.00 0.18 -0.31 0.00 -0.04 0.00 0.00 63.50 63.33 2jan n PRO 32 Cb 0.00 -2.14 0.02 0.00 -0.04 0.00 0.00 33.50 31.34 2jan n PRO 32 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2jan s MET 33 N 6.29 3.37 -0.27 0.54 -1.94 -1.26 -4.85 119.30 121.18 2jan s MET 33 Ca 1.14 0.82 -0.08 0.00 -1.71 0.00 0.00 55.69 55.85 2jan s MET 33 Cb -1.06 -2.05 -0.03 0.00 2.01 0.00 0.00 34.83 33.70 2jan s MET 33 CO 0.54 -0.75 0.11 0.99 -0.01 0.00 0.00 175.02 175.90 2jan s THR 34 N -3.13 4.55 -0.07 2.05 2.01 -1.26 -0.53 115.64 119.26 2jan s THR 34 Ca 0.56 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.40 2jan s THR 34 Cb -0.12 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 2jan s THR 34 CO 0.54 0.25 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.94 2jan s VAL 35 N 1.64 3.47 0.15 3.82 1.01 0.24 -1.66 120.40 129.07 2jan s VAL 35 Ca 0.06 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.57 2jan s VAL 35 Cb -0.16 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2jan s VAL 35 CO 0.06 0.59 -0.20 -0.72 0.00 0.00 0.00 175.10 174.82 2jan s TYR 36 N -0.67 1.91 -0.02 5.22 -0.85 -0.37 -0.45 117.35 122.11 2jan s TYR 36 Ca 0.10 -0.44 -0.03 0.00 -0.52 0.00 0.00 57.07 56.18 2jan s TYR 36 Cb -0.11 -0.98 0.00 0.00 0.38 0.00 0.00 41.96 41.26 2jan s TYR 36 CO 0.01 0.33 0.08 0.00 -1.52 0.00 0.00 175.55 174.46 2jan s ALA 37 N -1.76 -0.20 0.21 9.51 0.00 -0.40 -0.72 121.76 128.41 2jan s ALA 37 Ca 0.14 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.28 2jan s ALA 37 Cb -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2jan s ALA 37 CO 0.07 -0.07 0.16 0.20 0.00 0.00 0.00 175.76 176.11 2jan s GLY 38 N -0.28 1.56 -0.16 0.00 0.00 -1.26 -0.73 107.32 106.45 2jan s GLY 38 Ca -0.03 -1.33 -0.15 0.00 0.00 0.00 0.00 44.72 43.21 2jan s GLY 38 CO 0.00 -1.35 0.43 -0.11 0.00 0.00 0.00 173.10 172.07 2jan s PHE 39 N -1.95 -0.49 -0.22 1.90 -0.71 -0.19 -4.88 117.98 111.44 2jan s PHE 39 Ca 0.32 1.18 -0.29 0.00 -1.04 0.00 0.00 56.93 57.09 2jan s PHE 39 Cb -0.09 0.17 -0.02 0.00 -1.21 0.00 0.00 43.02 41.87 2jan s PHE 39 CO 0.24 -0.24 1.50 0.34 -1.34 0.00 0.00 175.22 175.72 2jan s ASP 40 N 0.31 6.54 0.00 1.98 2.15 -1.26 -1.35 116.67 125.05 2jan s ASP 40 Ca -0.01 1.57 0.29 0.00 0.43 0.00 0.00 52.55 54.84 2jan s ASP 40 Cb -0.03 -2.53 1.32 0.00 -0.30 0.00 0.00 42.92 41.37 2jan s ASP 40 CO -0.00 -1.13 1.90 -0.81 -0.17 0.00 0.00 175.17 174.96 2jan n PRO 41 N 7.40 1.44 0.03 4.34 -0.04 -1.26 -3.90 135.00 143.01 2jan n PRO 41 Ca 0.17 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 2jan n PRO 41 Cb 0.45 -1.48 0.31 0.00 -0.04 0.00 0.00 33.50 32.74 2jan n PRO 41 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2jan h THR 42 N 1.56 1.20 -3.97 0.52 1.35 -1.91 -3.44 112.91 108.21 2jan h THR 42 Ca 0.00 -0.81 -0.54 0.00 -0.55 0.00 0.00 66.41 64.51 2jan h THR 42 Cb 0.33 1.03 0.11 0.00 -1.73 0.00 0.00 68.15 67.89 2jan h THR 42 CO 0.00 0.27 0.69 0.00 -0.25 0.00 0.00 175.52 176.23 2jan s ALA 43 N -4.88 3.28 -0.79 6.62 0.00 -1.25 -4.93 121.76 119.80 2jan s ALA 43 Ca -0.07 1.41 0.25 0.00 0.00 0.00 0.00 51.96 53.55 2jan s ALA 43 Cb 0.15 -3.56 0.94 0.00 0.00 0.00 0.00 23.12 20.65 2jan s ALA 43 CO 0.76 -1.08 1.76 -0.35 0.00 0.00 0.00 175.76 176.85 2jan n PRO 44 N -0.05 0.14 -3.57 0.00 -0.04 -1.26 -4.86 135.00 125.36 2jan n PRO 44 Ca 0.04 0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.60 2jan n PRO 44 Cb 0.42 -1.69 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 2jan n PRO 44 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jan s SER 45 N -3.85 -0.40 0.38 3.54 0.15 -1.26 -4.85 113.70 107.41 2jan s SER 45 Ca 0.10 -0.22 -0.24 0.00 0.70 0.00 0.00 55.95 56.29 2jan s SER 45 Cb 0.13 0.57 -0.10 0.00 -1.71 0.00 0.00 66.02 64.91 2jan s SER 45 CO 0.49 -0.98 0.97 -0.76 1.20 0.00 0.00 173.24 174.16 2jan s LEU 46 N -2.80 4.16 0.49 3.45 1.43 -1.26 -4.91 118.68 119.24 2jan s LEU 46 Ca 0.04 1.83 0.03 0.00 -1.03 0.00 0.00 54.13 54.99 2jan s LEU 46 Cb -0.01 -4.24 -0.02 0.00 0.03 0.00 0.00 46.19 41.95 2jan s LEU 46 CO -0.09 -0.26 0.03 -1.38 0.23 0.00 0.00 176.35 174.87 2jan s HIS 47 N -1.82 2.00 0.52 0.29 -3.43 -1.26 0.85 115.29 112.44 2jan s HIS 47 Ca 0.56 -0.88 0.27 0.00 -0.80 0.00 0.00 55.06 54.20 2jan s HIS 47 Cb -0.16 -1.67 1.39 0.00 -1.43 0.00 0.00 32.58 30.71 2jan s HIS 47 CO 0.21 0.24 1.94 0.00 -2.00 0.00 0.00 174.74 175.13 2jan h ALA 48 N 1.41 2.59 -0.15 -1.38 0.00 -1.31 -1.07 119.26 119.35 2jan h ALA 48 Ca -0.44 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.50 2jan h ALA 48 Cb 1.30 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2jan h ALA 48 CO 0.75 -0.80 0.16 0.78 0.00 0.00 0.00 179.25 180.14 2jan h GLY 49 N 0.06 0.00 1.20 0.00 0.00 -1.85 -2.28 103.07 100.19 2jan h GLY 49 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2jan h GLY 49 CO -0.02 0.00 -0.47 1.42 0.00 0.00 0.00 176.54 177.47 2jan n HIS 50 N -3.82 0.19 -0.14 5.60 -0.00 -0.40 -4.54 115.22 112.11 2jan n HIS 50 Ca 0.01 0.06 -0.03 0.00 -0.00 0.00 0.00 57.72 57.75 2jan n HIS 50 Cb 0.28 -0.43 0.04 0.00 -0.00 0.00 0.00 29.99 29.88 2jan n HIS 50 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2jan h LEU 51 N 0.00 -0.32 0.50 2.41 3.38 -1.53 -2.33 115.31 117.42 2jan h LEU 51 Ca 0.00 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2jan h LEU 51 Cb 0.58 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2jan h LEU 51 CO 0.00 -0.11 -0.24 0.58 0.09 0.00 0.00 178.44 178.76 2jan h VAL 52 N 0.05 0.43 -1.01 1.22 2.07 -1.80 0.40 116.25 117.62 2jan h VAL 52 Ca 0.22 -0.34 0.13 0.00 0.82 0.00 0.00 66.70 67.53 2jan h VAL 52 Cb 0.34 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 2jan h VAL 52 CO -0.43 0.05 0.63 -0.65 0.02 0.00 0.00 177.57 177.20 2jan h PRO 53 N -0.90 0.94 0.10 1.57 0.11 -1.86 0.42 132.00 132.38 2jan h PRO 53 Ca -0.07 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2jan h PRO 53 Cb 0.60 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2jan h PRO 53 CO 0.11 0.62 -0.05 -0.07 -0.21 0.00 0.00 178.00 178.41 2jan h LEU 54 N 0.97 -0.11 -1.85 2.35 3.38 -1.11 0.84 115.31 119.77 2jan h LEU 54 Ca 0.51 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2jan h LEU 54 Cb 0.54 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2jan h LEU 54 CO -0.28 0.35 -0.09 -0.07 0.09 0.00 0.00 178.44 178.44 2jan h LEU 55 N -0.61 0.00 -0.25 1.67 3.38 -0.08 0.63 115.31 120.06 2jan h LEU 55 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2jan h LEU 55 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2jan h LEU 55 CO 0.02 0.09 -0.08 0.74 0.09 0.00 0.00 178.44 179.30 2jan h THR 56 N 0.00 1.29 -0.74 0.22 2.02 0.03 -2.00 112.91 113.73 2jan h THR 56 Ca -0.00 -1.11 0.12 0.00 0.77 0.00 0.00 66.41 66.19 2jan h THR 56 Cb 0.16 1.50 -0.08 0.00 -1.74 0.00 0.00 68.15 67.99 2jan h THR 56 CO 0.01 0.35 0.33 -0.07 0.37 0.00 0.00 175.52 176.51 2jan h LEU 57 N 0.23 0.37 -0.88 2.58 3.38 0.10 -0.73 115.31 120.35 2jan h LEU 57 Ca 0.06 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.24 2jan h LEU 57 Cb 0.56 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 2jan h LEU 57 CO 0.03 0.18 0.51 -0.09 0.09 0.00 0.00 178.44 179.15 2jan h ARG 58 N 0.52 0.77 -0.81 1.13 2.43 -0.57 -1.52 114.38 116.33 2jan h ARG 58 Ca 0.39 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 2jan h ARG 58 Cb 0.51 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 2jan h ARG 58 CO -0.34 0.51 0.40 0.00 -1.51 0.00 0.00 179.97 179.03 2jan h ARG 59 N 0.79 1.15 -0.73 0.20 3.08 -0.40 -0.99 114.38 117.48 2jan h ARG 59 Ca 0.45 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.35 2jan h ARG 59 Cb 0.49 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 2jan h ARG 59 CO -0.29 0.88 0.48 0.74 -1.07 0.00 0.00 179.97 180.71 2jan h PHE 60 N 1.14 0.90 -0.13 3.04 0.04 -0.85 0.13 116.94 121.20 2jan h PHE 60 Ca 0.28 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.06 2jan h PHE 60 Cb 0.10 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 2jan h PHE 60 CO 0.01 0.54 0.05 0.37 -0.60 0.00 0.00 178.31 178.68 2jan h GLN 61 N 0.95 0.19 0.00 1.51 4.15 -0.95 0.46 115.11 121.42 2jan h GLN 61 Ca 0.28 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 2jan h GLN 61 Cb -0.05 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 2jan h GLN 61 CO -0.08 0.29 -0.06 -0.09 -1.93 0.00 0.00 178.83 176.95 2jan h ARG 62 N 0.05 0.00 -0.12 1.69 2.43 -0.89 0.61 114.38 118.14 2jan h ARG 62 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2jan h ARG 62 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2jan h ARG 62 CO -0.00 0.06 0.00 0.00 -1.51 0.00 0.00 179.97 178.52 2jan n ALA 63 N -2.45 2.53 0.00 2.80 0.00 0.42 -4.92 120.51 118.88 2jan n ALA 63 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2jan n ALA 63 Cb 0.14 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2jan n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jan n GLY 64 N 0.93 0.40 3.99 0.00 0.00 0.21 -5.00 105.19 105.72 2jan n GLY 64 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2jan n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jan s HIS 65 N -2.00 2.49 -0.31 1.61 3.76 0.10 -4.63 115.29 116.30 2jan s HIS 65 Ca 0.00 -0.18 -0.08 0.00 -0.15 0.00 0.00 55.06 54.64 2jan s HIS 65 Cb 0.00 -2.69 0.01 0.00 1.11 0.00 0.00 32.58 31.01 2jan s HIS 65 CO 0.00 -0.98 0.12 0.50 -0.85 0.00 0.00 174.74 173.53 2jan s ARG 66 N -4.76 3.06 0.30 1.40 3.52 0.31 -3.84 118.95 118.95 2jan s ARG 66 Ca 0.59 -0.89 -0.20 0.00 -0.13 0.00 0.00 55.73 55.10 2jan s ARG 66 Cb -0.09 -3.48 -0.09 0.00 -1.56 0.00 0.00 34.95 29.73 2jan s ARG 66 CO 0.39 -0.50 0.81 -1.25 -0.81 0.00 0.00 175.30 173.94 2jan s PRO 67 N 1.53 4.26 -0.10 5.12 0.04 -1.26 -0.59 135.00 143.99 2jan s PRO 67 Ca 0.03 0.96 0.01 0.00 0.04 0.00 0.00 61.00 62.04 2jan s PRO 67 Cb -0.18 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.74 2jan s PRO 67 CO 0.04 0.24 -0.13 0.42 0.04 0.00 0.00 177.00 177.62 2jan s ILE 68 N -1.76 1.31 -0.33 0.56 1.01 0.40 -2.92 121.20 119.47 2jan s ILE 68 Ca 0.50 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 2jan s ILE 68 Cb -0.14 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 2jan s ILE 68 CO 0.19 0.41 0.43 -0.69 0.00 0.00 0.00 174.94 175.28 2jan s VAL 69 N 1.11 5.10 -0.44 2.92 1.01 -0.77 -1.27 120.40 128.05 2jan s VAL 69 Ca -0.05 0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 2jan s VAL 69 Cb -0.14 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.41 2jan s VAL 69 CO -0.02 -0.11 0.40 -0.22 0.00 0.00 0.00 175.10 175.15 2jan s LEU 70 N 2.19 5.20 -0.19 3.92 2.96 0.09 -2.05 118.68 130.80 2jan s LEU 70 Ca 0.15 -0.98 -0.29 0.00 -0.22 0.00 0.00 54.13 52.79 2jan s LEU 70 Cb -0.16 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 2jan s LEU 70 CO 0.12 -0.60 1.35 0.00 -1.32 0.00 0.00 176.35 175.90 2jan s ALA 71 N 1.89 3.55 -1.52 5.97 0.00 0.10 -1.02 121.76 130.73 2jan s ALA 71 Ca 0.08 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 2jan s ALA 71 Cb -0.20 -3.69 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 2jan s ALA 71 CO 0.10 -1.42 2.61 0.41 0.00 0.00 0.00 175.76 177.45 2jan n GLY 72 N 3.94 4.43 0.30 0.00 0.00 -0.46 -1.66 105.19 111.75 2jan n GLY 72 Ca 0.15 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.61 2jan n GLY 72 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jan h GLY 73 N 7.88 0.39 0.61 -0.02 0.00 -1.91 -3.07 103.07 106.96 2jan h GLY 73 Ca 0.73 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.99 2jan h GLY 73 CO 1.78 0.14 0.42 0.00 0.00 0.00 0.00 176.54 178.88 2jan h ALA 74 N 1.82 1.02 -0.40 3.60 0.00 -1.88 -2.83 119.26 120.59 2jan h ALA 74 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2jan h ALA 74 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jan h ALA 74 CO -0.03 0.08 0.14 1.15 0.00 0.00 0.00 179.25 180.59 2jan h THR 75 N 0.74 1.21 -0.64 0.00 2.02 -1.95 0.29 112.91 114.58 2jan h THR 75 Ca 0.34 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 2jan h THR 75 Cb 0.26 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2jan h THR 75 CO -0.21 0.24 0.19 1.23 0.37 0.00 0.00 175.52 177.34 2jan h GLY 76 N 0.50 1.09 1.08 2.16 0.00 -1.70 0.21 103.07 106.41 2jan h GLY 76 Ca 0.13 -0.65 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 2jan h GLY 76 CO -0.01 0.61 -0.16 1.98 0.00 0.00 0.00 176.54 178.96 2jan h MET 77 N 0.94 0.98 -0.08 4.80 -1.53 -1.24 -2.78 114.93 116.01 2jan h MET 77 Ca 0.21 -0.39 -0.14 0.00 -3.44 0.00 0.00 59.70 55.93 2jan h MET 77 Cb 0.31 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.31 2jan h MET 77 CO -0.00 1.07 -0.57 0.82 0.14 0.00 0.00 176.91 178.37 2jan h ILE 78 N 0.83 1.37 0.16 1.77 2.04 -0.89 -3.51 117.51 119.28 2jan h ILE 78 Ca 0.12 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.08 2jan h ILE 78 Cb 0.73 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2jan h ILE 78 CO 0.06 0.56 -0.08 1.23 0.00 0.00 0.00 178.15 179.92 2jan h GLY 79 N 1.40 -0.22 -5.59 5.37 0.00 -0.28 -3.51 103.07 100.24 2jan h GLY 79 Ca -0.00 0.08 -0.37 0.00 0.00 0.00 0.00 47.33 47.04 2jan h GLY 79 CO 0.09 -0.08 -0.54 -1.30 0.00 0.00 0.00 176.54 174.71 2jan n THR 94 N -2.89 -0.80 0.10 4.70 -2.24 -1.26 -5.07 114.28 106.82 2jan n THR 94 Ca -0.03 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.77 2jan n THR 94 Cb 0.08 -1.52 -0.02 0.00 -2.10 0.00 0.00 70.33 66.77 2jan n THR 94 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2jan h VAL 95 N -0.87 0.70 -0.02 2.28 2.07 -2.06 -2.88 116.25 115.47 2jan h VAL 95 Ca -0.41 -2.09 -0.01 0.00 0.82 0.00 0.00 66.70 65.01 2jan h VAL 95 Cb 1.27 2.24 -0.00 0.00 -1.52 0.00 0.00 31.29 33.28 2jan h VAL 95 CO 0.52 0.40 -0.01 0.00 0.02 0.00 0.00 177.57 178.50 2jan h ALA 96 N 1.48 0.03 -1.00 1.67 0.00 -2.05 -2.60 119.26 116.79 2jan h ALA 96 Ca -0.07 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.78 2jan h ALA 96 Cb 1.45 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.14 2jan h ALA 96 CO 0.06 -0.26 0.63 0.93 0.00 0.00 0.00 179.25 180.60 2jan h GLU 97 N -0.33 0.90 -0.33 0.00 5.08 -2.00 -1.14 114.58 116.77 2jan h GLU 97 Ca 0.01 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2jan h GLU 97 Cb 0.40 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2jan h GLU 97 CO 0.00 0.60 0.06 2.35 -1.00 0.00 0.00 179.01 181.02 2jan h TRP 98 N 0.93 0.57 0.23 4.33 7.01 -1.52 -1.68 115.95 125.82 2jan h TRP 98 Ca 0.51 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.43 2jan h TRP 98 Cb 0.59 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 2jan h TRP 98 CO -0.00 0.60 -0.15 1.15 -2.79 0.00 0.00 178.44 177.25 2jan h THR 99 N 0.37 0.69 -0.41 2.65 2.02 -0.92 0.13 112.91 117.44 2jan h THR 99 Ca 0.10 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.32 2jan h THR 99 Cb 0.33 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2jan h THR 99 CO 0.00 0.00 0.19 -0.33 0.37 0.00 0.00 175.52 175.75 2jan h GLU 100 N -0.37 0.37 0.79 6.66 3.07 -1.22 0.20 114.58 124.08 2jan h GLU 100 Ca -0.02 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 2jan h GLU 100 Cb 0.31 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.14 2jan h GLU 100 CO 0.02 0.25 -0.38 -0.09 -1.40 0.00 0.00 179.01 177.40 2jan h ARG 101 N 0.38 -1.02 0.01 2.33 2.43 -1.24 -2.05 114.38 115.23 2jan h ARG 101 Ca 0.18 0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2jan h ARG 101 Cb 0.11 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2jan h ARG 101 CO -0.14 -0.68 -0.01 0.82 -1.51 0.00 0.00 179.97 178.45 2jan h ILE 102 N -1.11 1.17 -0.69 1.20 1.08 -0.60 0.47 117.51 119.03 2jan h ILE 102 Ca -0.11 -0.55 0.08 0.00 -0.39 0.00 0.00 64.86 63.89 2jan h ILE 102 Cb 0.81 1.54 -0.06 0.00 -3.07 0.00 0.00 36.82 36.04 2jan h ILE 102 CO 0.18 0.14 0.36 -0.09 -0.69 0.00 0.00 178.15 178.05 2jan h ARG 103 N -0.25 0.62 -0.78 2.37 2.43 -1.12 -0.96 114.38 116.69 2jan h ARG 103 Ca -0.00 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2jan h ARG 103 Cb 0.24 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 2jan h ARG 103 CO 0.00 0.41 0.51 0.78 -1.51 0.00 0.00 179.97 180.17 2jan h GLY 104 N 0.64 1.07 0.61 2.80 0.00 -0.64 -1.85 103.07 105.70 2jan h GLY 104 Ca 0.33 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2jan h GLY 104 CO -0.23 0.25 -0.05 1.46 0.00 0.00 0.00 176.54 177.98 2jan h GLN 105 N 0.85 0.14 -0.39 4.80 4.20 0.27 -3.12 115.11 121.86 2jan h GLN 105 Ca 0.33 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 59.06 2jan h GLN 105 Cb 0.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2jan h GLN 105 CO -0.11 0.57 0.27 -0.07 -0.67 0.00 0.00 178.83 178.81 2jan h LEU 106 N -0.30 0.13 -1.89 1.46 3.38 -0.86 -0.84 115.31 116.40 2jan h LEU 106 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jan h LEU 106 Cb 0.54 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2jan h LEU 106 CO 0.01 0.08 0.00 -0.33 0.09 0.00 0.00 178.44 178.30 2jan h GLU 107 N 0.15 0.00 -0.01 1.13 5.08 -1.28 -1.88 114.58 117.77 2jan h GLU 107 Ca 0.18 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 2jan h GLU 107 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2jan h GLU 107 CO -0.02 0.00 -0.75 0.00 -1.00 0.00 0.00 179.01 177.23 2jan h ARG 108 N 0.00 0.11 0.00 2.33 2.47 -1.23 -3.36 114.38 114.70 2jan h ARG 108 Ca 0.00 -0.11 -0.04 0.00 -1.26 0.00 0.00 59.98 58.57 2jan h ARG 108 Cb 0.20 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 2jan h ARG 108 CO 0.00 0.81 -1.84 1.19 0.56 0.00 0.00 179.97 180.69 2jan n PHE 109 N -3.71 0.21 -3.69 3.04 3.01 -0.74 -4.96 117.46 110.62 2jan n PHE 109 Ca -0.02 0.06 -0.11 0.00 1.01 0.00 0.00 57.45 58.39 2jan n PHE 109 Cb 0.72 -0.65 -0.09 0.00 -0.01 0.00 0.00 39.48 39.44 2jan n PHE 109 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2jan s VAL 110 N -3.36 -0.01 -0.30 -4.37 1.01 -0.99 -4.10 120.40 108.28 2jan s VAL 110 Ca -0.07 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 2jan s VAL 110 Cb 0.12 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 2jan s VAL 110 CO 0.88 0.01 0.73 -1.81 0.00 0.00 0.00 175.10 174.92 2jan s ASP 111 N 0.90 6.62 -0.22 3.32 1.01 -1.26 -4.38 116.67 122.66 2jan s ASP 111 Ca -0.05 0.62 -0.19 0.00 0.71 0.00 0.00 52.55 53.65 2jan s ASP 111 Cb -0.05 -2.38 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 2jan s ASP 111 CO -0.08 -0.55 0.53 -0.36 0.21 0.00 0.00 175.17 174.93 2jan s PHE 112 N 2.82 3.34 -0.17 4.23 0.08 -1.26 -1.64 117.98 125.37 2jan s PHE 112 Ca 0.30 0.75 -0.30 0.00 0.12 0.00 0.00 56.93 57.80 2jan s PHE 112 Cb -0.15 -2.71 0.14 0.00 -0.57 0.00 0.00 43.02 39.73 2jan s PHE 112 CO 0.12 -0.17 1.04 0.16 -0.10 0.00 0.00 175.22 176.27 2jan s ASP 113 N 1.28 -0.33 -0.07 1.36 1.47 -1.26 -4.92 116.67 114.20 2jan s ASP 113 Ca 0.24 0.35 -0.30 0.00 1.18 0.00 0.00 52.55 54.02 2jan s ASP 113 Cb -0.15 0.27 -0.04 0.00 -0.34 0.00 0.00 42.92 42.65 2jan s ASP 113 CO 0.09 -0.31 1.47 -1.81 0.68 0.00 0.00 175.17 175.30 2jan s ASP 114 N -1.12 6.80 0.00 2.11 1.11 -1.26 -3.98 116.67 120.33 2jan s ASP 114 Ca -0.00 2.05 0.00 0.00 0.18 0.00 0.00 52.55 54.78 2jan s ASP 114 Cb -0.01 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.44 2jan s ASP 114 CO 0.00 -0.82 0.00 -0.24 1.18 0.00 0.00 175.17 175.29 2jan n SER 115 N 6.47 0.00 0.01 0.27 2.88 -1.26 -4.98 113.62 117.01 2jan n SER 115 Ca 0.15 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.63 2jan n SER 115 Cb 0.44 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.02 2jan n SER 115 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2jan h PRO 116 N 0.00 0.51 -0.27 -1.46 0.13 -2.02 -2.87 132.00 126.01 2jan h PRO 116 Ca 0.00 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2jan h PRO 116 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2jan h PRO 116 CO 0.00 0.83 0.00 -1.33 -0.23 0.00 0.00 178.00 177.27 2jan n MET 117 N -4.02 1.78 -1.93 0.86 2.81 -1.26 -4.78 117.12 110.57 2jan n MET 117 Ca -0.02 -1.20 -0.42 0.00 -1.81 0.00 0.00 57.70 54.25 2jan n MET 117 Cb 0.52 -1.33 -0.03 0.00 -0.71 0.00 0.00 33.22 31.67 2jan n MET 117 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2jan s GLY 118 N -1.24 1.57 0.70 3.03 0.00 -1.09 -4.60 107.32 105.69 2jan s GLY 118 Ca 0.27 1.26 -0.16 0.00 0.00 0.00 0.00 44.72 46.09 2jan s GLY 118 CO 0.21 2.80 1.23 0.00 0.00 0.00 0.00 173.10 177.33 2jan s ALA 119 N 2.13 2.19 -0.03 3.20 0.00 -0.65 -4.77 121.76 123.83 2jan s ALA 119 Ca 0.72 0.97 0.04 0.00 0.00 0.00 0.00 51.96 53.69 2jan s ALA 119 Cb -0.41 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.22 2jan s ALA 119 CO 0.32 -1.78 -0.14 0.42 0.00 0.00 0.00 175.76 174.58 2jan s ILE 120 N -1.82 1.15 -0.31 0.00 1.01 -1.15 -4.58 121.20 115.51 2jan s ILE 120 Ca 0.77 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.81 2jan s ILE 120 Cb -0.31 -0.99 0.05 0.00 0.01 0.00 0.00 42.46 41.21 2jan s ILE 120 CO 0.43 0.34 0.02 -0.69 0.00 0.00 0.00 174.94 175.04 2jan s VAL 121 N 0.01 3.14 0.26 2.92 1.01 -1.26 -1.85 120.40 124.63 2jan s VAL 121 Ca -0.01 -1.33 0.08 0.00 0.00 0.00 0.00 61.98 60.71 2jan s VAL 121 Cb -0.09 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2jan s VAL 121 CO 0.01 -0.12 0.12 -1.61 0.00 0.00 0.00 175.10 173.50 2jan s GLU 122 N 1.28 2.67 -0.15 2.72 2.02 -0.87 -4.98 118.70 121.39 2jan s GLU 122 Ca -0.05 -1.20 -0.01 0.00 0.02 0.00 0.00 54.97 53.73 2jan s GLU 122 Cb -0.20 -2.40 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 2jan s GLU 122 CO -0.00 0.38 -0.10 1.21 0.02 0.00 0.00 175.26 176.77 2jan s ASN 123 N -3.78 4.18 0.00 -0.19 3.84 -1.26 0.02 114.94 117.74 2jan s ASN 123 Ca 0.32 -0.31 0.09 0.00 0.21 0.00 0.00 52.86 53.17 2jan s ASN 123 Cb -0.07 -1.66 0.51 0.00 -0.55 0.00 0.00 41.25 39.48 2jan s ASN 123 CO 0.23 0.13 0.95 -0.46 -2.79 0.00 0.00 177.10 175.16 2jan n ASN 124 N 3.77 0.00 0.27 -4.21 6.94 -0.66 -0.80 115.26 120.57 2jan n ASN 124 Ca -0.18 -0.31 0.17 0.00 -0.02 0.00 0.00 54.58 54.24 2jan n ASN 124 Cb 0.52 0.00 0.69 0.00 -2.36 0.00 0.00 39.78 38.64 2jan n ASN 124 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2jan h LEU 125 N 0.00 0.00 0.00 -4.53 3.38 -1.93 -2.36 115.31 109.87 2jan h LEU 125 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jan h LEU 125 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jan h LEU 125 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.74 2jan n GLU 126 N -3.05 0.07 0.00 1.13 0.00 0.02 -0.26 120.64 118.55 2jan n GLU 126 Ca 0.01 0.24 0.00 0.00 0.00 0.00 0.00 57.16 57.40 2jan n GLU 126 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.24 2jan n GLU 126 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.13 174.46 2jan n TRP 127 N -1.42 0.00 0.09 4.31 2.14 -1.21 -4.82 117.44 116.54 2jan n TRP 127 Ca 0.04 0.00 -0.06 0.00 2.07 0.00 0.00 57.50 59.56 2jan n TRP 127 Cb 0.13 0.00 0.07 0.00 -0.81 0.00 0.00 31.31 30.70 2jan n TRP 127 CO 0.00 0.00 0.00 1.15 2.07 0.00 0.00 177.69 180.91 2jan h THR 128 N 0.00 1.46 -0.66 -1.67 2.02 -1.37 -2.48 112.91 110.20 2jan h THR 128 Ca 0.00 -2.32 0.07 0.00 0.77 0.00 0.00 66.41 64.93 2jan h THR 128 Cb 0.74 2.25 -0.04 0.00 -1.74 0.00 0.00 68.15 69.35 2jan h THR 128 CO 0.00 0.68 0.44 1.23 0.37 0.00 0.00 175.52 178.23 2jan h GLY 129 N 1.79 0.82 -1.18 2.16 0.00 -0.84 -2.43 103.07 103.38 2jan h GLY 129 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2jan h GLY 129 CO 0.11 0.18 -0.18 -1.14 0.00 0.00 0.00 176.54 175.51 2jan n SER 130 N -4.48 2.18 -4.71 0.19 3.41 -1.21 -4.96 113.62 104.05 2jan n SER 130 Ca 0.10 -1.59 -0.42 0.00 -0.26 0.00 0.00 58.87 56.70 2jan n SER 130 Cb 0.26 0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 2jan n SER 130 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2jan s LEU 131 N -1.85 4.36 0.18 1.04 2.96 -0.92 -5.02 118.68 119.43 2jan s LEU 131 Ca 0.19 2.43 -0.06 0.00 -0.22 0.00 0.00 54.13 56.46 2jan s LEU 131 Cb 0.15 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.20 2jan s LEU 131 CO 0.34 -0.77 0.44 -0.94 -1.32 0.00 0.00 176.35 174.09 2jan s SER 132 N 1.54 6.53 0.29 3.68 1.04 -1.26 -4.93 113.70 120.59 2jan s SER 132 Ca 0.69 0.70 0.02 0.00 0.48 0.00 0.00 55.95 57.83 2jan s SER 132 Cb -0.39 -2.13 0.70 0.00 0.10 0.00 0.00 66.02 64.30 2jan s SER 132 CO 0.31 -0.00 1.63 0.00 0.98 0.00 0.00 173.24 176.16 2jan h ALA 133 N 2.67 1.23 0.08 5.32 0.00 -1.98 0.28 119.26 126.86 2jan h ALA 133 Ca -0.46 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jan h ALA 133 Cb 1.17 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2jan h ALA 133 CO 0.71 -0.49 -0.04 0.82 0.00 0.00 0.00 179.25 180.25 2jan h ILE 134 N 0.16 1.10 -0.33 0.00 2.04 -1.99 -1.48 117.51 117.01 2jan h ILE 134 Ca 0.55 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.80 2jan h ILE 134 Cb 1.12 1.55 -0.08 0.00 -0.74 0.00 0.00 36.82 38.66 2jan h ILE 134 CO -0.69 0.17 -0.28 -0.33 0.00 0.00 0.00 178.15 177.02 2jan h GLU 135 N -0.42 -0.23 -0.11 2.37 5.08 -1.63 0.67 114.58 120.31 2jan h GLU 135 Ca -0.01 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2jan h GLU 135 Cb 0.36 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2jan h GLU 135 CO 0.02 -0.15 -0.43 0.35 -1.00 0.00 0.00 179.01 177.80 2jan h PHE 136 N -0.24 -1.28 -0.32 4.33 3.57 -0.43 0.37 116.94 122.95 2jan h PHE 136 Ca 0.16 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 2jan h PHE 136 Cb 0.50 0.57 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 2jan h PHE 136 CO -0.47 -0.43 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.00 2jan h LEU 137 N -0.46 0.52 0.17 0.59 3.38 -1.08 0.50 115.31 118.94 2jan h LEU 137 Ca 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2jan h LEU 137 Cb 0.54 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jan h LEU 137 CO -0.35 0.67 -0.08 -0.09 0.09 0.00 0.00 178.44 178.68 2jan h ARG 138 N 0.50 -0.22 0.13 1.13 2.43 -0.59 -3.06 114.38 114.71 2jan h ARG 138 Ca 0.09 0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.98 2jan h ARG 138 Cb 0.49 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2jan h ARG 138 CO 0.03 0.05 -1.39 -0.44 -1.51 0.00 0.00 179.97 176.71 2jan h ASP 139 N -1.01 0.44 0.00 -3.80 3.32 -0.32 -3.37 116.42 111.68 2jan h ASP 139 Ca -0.02 -0.53 -0.35 0.00 0.02 0.00 0.00 57.03 56.15 2jan h ASP 139 Cb 0.37 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 2jan h ASP 139 CO 0.04 1.42 -2.19 -0.38 -1.72 0.00 0.00 179.24 176.41 2jan n ILE 140 N -3.51 1.18 0.28 0.35 5.41 -0.48 -4.70 119.36 117.89 2jan n ILE 140 Ca -0.13 -0.34 0.13 0.00 1.00 0.00 0.00 62.75 63.41 2jan n ILE 140 Cb 1.04 -1.63 0.79 0.00 -0.71 0.00 0.00 39.64 39.13 2jan n ILE 140 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2jan h GLY 141 N -0.12 0.00 2.00 7.39 0.00 -0.93 -2.36 103.07 109.05 2jan h GLY 141 Ca -0.52 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 2jan h GLY 141 CO -0.26 0.00 -0.17 0.50 0.00 0.00 0.00 176.54 176.61 2jan h LYS 142 N 0.00 0.00 -0.33 4.80 1.57 -1.70 -2.97 116.57 117.94 2jan h LYS 142 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jan h LYS 142 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2jan h LYS 142 CO 0.01 0.17 0.00 0.72 -0.57 0.00 0.00 179.45 179.78 2jan n HIS 143 N -3.51 0.43 -5.13 -1.35 8.25 -0.89 -4.82 115.22 108.20 2jan n HIS 143 Ca -0.01 -0.21 -0.31 0.00 -0.26 0.00 0.00 57.72 56.93 2jan n HIS 143 Cb 0.33 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.26 2jan n HIS 143 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2jan s PHE 144 N -1.60 2.48 -0.16 4.41 0.40 -1.12 -5.05 117.98 117.34 2jan s PHE 144 Ca 0.21 -1.03 -0.23 0.00 -0.60 0.00 0.00 56.93 55.28 2jan s PHE 144 Cb 0.11 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 2jan s PHE 144 CO 0.14 -0.42 0.70 0.45 0.70 0.00 0.00 175.22 176.79 2jan s SER 145 N 0.40 6.83 0.13 1.36 0.15 -1.26 -4.97 113.70 116.34 2jan s SER 145 Ca -0.18 1.01 -0.19 0.00 0.70 0.00 0.00 55.95 57.29 2jan s SER 145 Cb -0.18 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2jan s SER 145 CO 0.08 -0.28 1.73 0.58 1.20 0.00 0.00 173.24 176.55 2jan h VAL 146 N 5.10 0.88 -0.56 4.45 2.07 -1.99 -0.86 116.25 125.34 2jan h VAL 146 Ca -0.33 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.26 2jan h VAL 146 Cb 1.15 0.74 -0.11 0.00 -1.52 0.00 0.00 31.29 31.55 2jan h VAL 146 CO 0.79 0.02 -0.22 0.78 0.02 0.00 0.00 177.57 178.96 2jan h ASN 147 N 0.12 -0.78 -0.45 0.57 2.35 -1.99 0.24 115.58 115.65 2jan h ASN 147 Ca 0.11 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2jan h ASN 147 Cb 0.12 0.44 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 2jan h ASN 147 CO -0.16 -0.25 0.30 0.58 -1.65 0.00 0.00 177.43 176.25 2jan h VAL 148 N -0.08 1.12 -0.75 2.81 2.07 -1.86 -2.55 116.25 117.01 2jan h VAL 148 Ca 0.26 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2jan h VAL 148 Cb 0.49 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2jan h VAL 148 CO -0.62 0.12 0.35 0.24 0.02 0.00 0.00 177.57 177.68 2jan h MET 149 N 0.61 1.08 -0.26 1.57 2.86 -0.32 -2.44 114.93 118.03 2jan h MET 149 Ca 0.16 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2jan h MET 149 Cb -0.06 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 2jan h MET 149 CO -0.04 0.85 -0.01 -0.07 1.06 0.00 0.00 176.91 178.70 2jan h LEU 150 N 1.05 0.36 -0.10 1.22 3.38 -0.81 -3.11 115.31 117.30 2jan h LEU 150 Ca 0.26 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2jan h LEU 150 Cb 0.13 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jan h LEU 150 CO -0.03 0.43 0.04 0.00 0.09 0.00 0.00 178.44 178.97 2jan h ALA 151 N 1.62 0.13 -1.01 1.53 0.00 -1.02 -3.26 119.26 117.25 2jan h ALA 151 Ca 0.08 -0.10 -0.87 0.00 0.00 0.00 0.00 54.91 54.03 2jan h ALA 151 Cb 0.27 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2jan h ALA 151 CO 0.01 -0.28 0.73 0.54 0.00 0.00 0.00 179.25 180.25 2jan n ARG 152 N -4.91 0.09 0.23 0.00 1.74 -1.10 -4.48 116.66 108.22 2jan n ARG 152 Ca -0.06 0.03 0.14 0.00 -0.77 0.00 0.00 57.85 57.20 2jan n ARG 152 Cb 0.12 -1.55 0.41 0.00 -1.02 0.00 0.00 32.46 30.42 2jan n ARG 152 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2jan h ASP 153 N 5.29 0.00 -0.41 0.55 5.19 -1.89 0.28 116.42 125.43 2jan h ASP 153 Ca -0.43 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.01 2jan h ASP 153 Cb 1.37 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.84 2jan h ASP 153 CO 0.98 0.00 0.20 0.74 -3.12 0.00 0.00 179.24 178.04 2jan h THR 154 N 0.00 0.96 -0.05 0.35 2.02 -1.96 -2.43 112.91 111.81 2jan h THR 154 Ca 0.00 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 2jan h THR 154 Cb 0.75 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2jan h THR 154 CO 0.00 0.07 -0.30 0.40 0.37 0.00 0.00 175.52 176.06 2jan h ILE 155 N 0.40 1.46 -0.63 3.11 2.04 -1.63 -2.81 117.51 119.45 2jan h ILE 155 Ca 0.18 -1.77 0.13 0.00 1.00 0.00 0.00 64.86 64.40 2jan h ILE 155 Cb 0.10 2.45 -0.10 0.00 -0.74 0.00 0.00 36.82 38.52 2jan h ILE 155 CO -0.13 0.50 0.02 -0.09 0.00 0.00 0.00 178.15 178.44 2jan h ARG 156 N -0.26 0.13 -0.20 2.37 1.12 -0.44 0.21 114.38 117.30 2jan h ARG 156 Ca -0.02 -0.01 -0.16 0.00 -1.11 0.00 0.00 59.98 58.67 2jan h ARG 156 Cb 0.97 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.91 2jan h ARG 156 CO 0.06 0.08 -0.52 0.00 -3.11 0.00 0.00 179.97 176.49 2jan h ARG 157 N 0.13 0.70 0.00 0.20 3.08 -1.55 -3.23 114.38 113.72 2jan h ARG 157 Ca 0.33 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2jan h ARG 157 Cb 0.54 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2jan h ARG 157 CO -0.53 1.11 0.00 -2.13 -1.07 0.00 0.00 179.97 177.35 2jan n ARG 158 N -4.13 0.03 -0.43 0.04 0.63 -0.82 -2.89 116.66 109.08 2jan n ARG 158 Ca -0.06 0.17 0.08 0.00 -0.92 0.00 0.00 57.85 57.12 2jan n ARG 158 Cb 0.61 -1.54 0.28 0.00 0.45 0.00 0.00 32.46 32.25 2jan n ARG 158 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2jan n LEU 159 N -1.59 3.66 -4.74 6.15 7.94 0.66 -4.34 117.00 124.74 2jan n LEU 159 Ca 0.05 -1.84 -0.37 0.00 -1.11 0.00 0.00 56.01 52.73 2jan n LEU 159 Cb 0.25 -0.48 -0.07 0.00 0.53 0.00 0.00 43.42 43.66 2jan n LEU 159 CO 0.20 0.70 0.06 0.00 -1.11 0.00 0.00 177.39 177.24 2jan s ALA 160 N -1.61 3.57 0.00 1.96 0.00 -1.14 -4.60 121.76 119.94 2jan s ALA 160 Ca 0.40 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2jan s ALA 160 Cb 0.24 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.90 2jan s ALA 160 CO 0.22 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.51 2jan n GLY 161 N 3.11 0.90 0.24 0.00 0.00 -1.26 -3.81 105.19 104.36 2jan n GLY 161 Ca -0.11 -1.37 0.01 0.00 0.00 0.00 0.00 46.02 44.55 2jan n GLY 161 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jan h GLU 162 N 0.00 0.11 0.00 1.61 3.07 -1.94 -3.47 114.58 113.96 2jan h GLU 162 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2jan h GLU 162 Cb 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2jan h GLU 162 CO 0.00 0.07 0.00 0.41 -1.40 0.00 0.00 179.01 178.09 2jan n GLY 163 N -1.37 0.33 3.12 -3.84 0.00 -1.25 -4.96 105.19 97.22 2jan n GLY 163 Ca 0.09 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 2jan n GLY 163 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jan s ILE 164 N 0.00 0.85 0.64 -0.61 1.10 -1.26 -4.92 121.20 117.00 2jan s ILE 164 Ca 0.00 -1.23 -0.13 0.00 -0.51 0.00 0.00 60.65 58.78 2jan s ILE 164 Cb 0.00 -0.88 -0.02 0.00 0.15 0.00 0.00 42.46 41.71 2jan s ILE 164 CO 0.00 -0.31 1.05 -0.94 -2.11 0.00 0.00 174.94 172.63 2jan s SER 165 N -1.71 5.64 0.39 4.50 1.04 -1.26 -4.94 113.70 117.36 2jan s SER 165 Ca -0.05 1.70 0.12 0.00 0.48 0.00 0.00 55.95 58.20 2jan s SER 165 Cb -0.10 -2.51 0.92 0.00 0.10 0.00 0.00 66.02 64.43 2jan s SER 165 CO 0.01 -1.27 1.91 0.22 0.98 0.00 0.00 173.24 175.10 2jan h TYR 166 N -0.10 0.64 0.38 5.02 3.20 -2.01 -2.30 116.97 121.80 2jan h TYR 166 Ca -0.45 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.42 2jan h TYR 166 Cb 1.21 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.28 2jan h TYR 166 CO 0.61 0.26 -0.18 1.15 -1.64 0.00 0.00 178.16 178.35 2jan h THR 167 N 0.56 0.63 -0.59 1.81 2.02 -2.00 -2.57 112.91 112.78 2jan h THR 167 Ca 0.38 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.38 2jan h THR 167 Cb 0.69 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2jan h THR 167 CO -0.14 0.05 0.39 -0.33 0.37 0.00 0.00 175.52 175.86 2jan h GLU 168 N -0.65 0.49 0.00 6.66 5.08 -1.89 -0.71 114.58 123.56 2jan h GLU 168 Ca -0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2jan h GLU 168 Cb 0.47 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2jan h GLU 168 CO 0.09 0.33 0.00 0.35 -1.00 0.00 0.00 179.01 178.77 2jan h PHE 169 N 0.51 0.00 0.01 4.33 3.57 -1.29 -3.26 116.94 120.81 2jan h PHE 169 Ca 0.26 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.44 2jan h PHE 169 Cb 0.37 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 2jan h PHE 169 CO -0.00 0.00 -1.97 0.43 -2.23 0.00 0.00 178.31 174.54 2jan n SER 170 N -2.59 0.81 -0.34 0.41 7.64 -0.29 -4.47 113.62 114.79 2jan n SER 170 Ca 0.02 0.25 0.29 0.00 1.01 0.00 0.00 58.87 60.44 2jan n SER 170 Cb 0.30 0.14 0.55 0.00 -1.01 0.00 0.00 64.21 64.19 2jan n SER 170 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2jan h TYR 171 N 0.01 0.84 -0.50 1.43 0.05 -1.56 0.28 116.97 117.52 2jan h TYR 171 Ca -0.39 0.04 0.10 0.00 0.05 0.00 0.00 58.73 58.53 2jan h TYR 171 Cb 2.08 -0.21 -0.10 0.00 1.01 0.00 0.00 36.73 39.51 2jan h TYR 171 CO 0.01 -0.33 -0.25 1.25 -1.05 0.00 0.00 178.16 177.79 2jan h LEU 172 N 0.14 -0.86 -0.67 3.88 7.12 -1.82 0.21 115.31 123.30 2jan h LEU 172 Ca 0.80 0.19 0.05 0.00 0.13 0.00 0.00 57.88 59.06 2jan h LEU 172 Cb 2.06 0.45 -0.05 0.00 -0.53 0.00 0.00 40.66 42.59 2jan h LEU 172 CO -0.67 -0.27 0.38 -0.07 -0.13 0.00 0.00 178.44 177.69 2jan h LEU 173 N -0.14 0.58 -0.39 2.25 4.07 -0.73 0.12 115.31 121.08 2jan h LEU 173 Ca 0.23 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 58.15 2jan h LEU 173 Cb 0.50 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 2jan h LEU 173 CO -0.58 0.38 -0.01 -0.07 -1.08 0.00 0.00 178.44 177.08 2jan h LEU 174 N 0.71 0.68 -0.12 1.67 3.38 -1.34 -0.72 115.31 119.59 2jan h LEU 174 Ca 0.30 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2jan h LEU 174 Cb 0.16 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2jan h LEU 174 CO -0.17 0.83 -0.07 -0.61 0.09 0.00 0.00 178.44 178.51 2jan h GLN 175 N 0.52 -0.07 -0.85 1.13 5.75 -0.14 -1.74 115.11 119.70 2jan h GLN 175 Ca 0.11 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.67 2jan h GLN 175 Cb 0.49 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.00 2jan h GLN 175 CO 0.02 -0.05 0.53 0.00 -2.65 0.00 0.00 178.83 176.68 2jan h ALA 176 N 1.02 1.15 -0.34 3.38 0.00 -0.90 -2.38 119.26 121.20 2jan h ALA 176 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2jan h ALA 176 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jan h ALA 176 CO -0.16 0.30 0.01 -0.97 0.00 0.00 0.00 179.25 178.42 2jan h ASN 177 N 0.99 0.48 -0.93 0.00 -1.24 -0.52 -2.40 115.58 111.96 2jan h ASN 177 Ca 0.36 -0.09 0.14 0.00 0.71 0.00 0.00 56.30 57.42 2jan h ASN 177 Cb 0.12 -0.13 -0.09 0.00 0.73 0.00 0.00 38.32 38.95 2jan h ASN 177 CO -0.16 0.55 0.54 0.44 -1.29 0.00 0.00 177.43 177.51 2jan h ASP 178 N 0.50 0.73 -0.32 1.15 3.32 -0.78 -0.15 116.42 120.86 2jan h ASP 178 Ca 0.11 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2jan h ASP 178 Cb 0.31 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2jan h ASP 178 CO 0.01 0.34 0.11 0.22 -1.72 0.00 0.00 179.24 178.20 2jan h TYR 179 N 0.80 0.51 -0.04 4.55 5.03 -1.49 0.11 116.97 126.44 2jan h TYR 179 Ca 0.49 -0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.77 2jan h TYR 179 Cb 0.61 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 2jan h TYR 179 CO -0.04 0.51 -0.08 0.28 -1.32 0.00 0.00 178.16 177.51 2jan h VAL 180 N 0.37 0.78 -0.62 1.81 2.07 -1.28 -1.28 116.25 118.10 2jan h VAL 180 Ca 0.11 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 2jan h VAL 180 Cb 0.23 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2jan h VAL 180 CO -0.00 0.00 0.13 -0.08 0.02 0.00 0.00 177.57 177.63 2jan h GLU 181 N -0.12 1.01 0.00 1.57 4.57 -0.88 -1.76 114.58 118.97 2jan h GLU 181 Ca 0.05 -0.26 -0.08 0.00 -1.18 0.00 0.00 59.36 57.89 2jan h GLU 181 Cb 0.19 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2jan h GLU 181 CO -0.11 0.93 -0.36 -0.07 -1.18 0.00 0.00 179.01 178.22 2jan h LEU 182 N 0.93 0.00 -0.44 1.64 3.38 -0.62 -1.30 115.31 118.89 2jan h LEU 182 Ca 0.19 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 2jan h LEU 182 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2jan h LEU 182 CO 0.01 0.36 -0.71 -0.74 0.09 0.00 0.00 178.44 177.44 2jan h HIS 183 N 0.00 0.47 -0.16 1.13 2.76 -0.90 -1.42 115.15 117.03 2jan h HIS 183 Ca -0.00 -0.21 -0.03 0.00 -2.20 0.00 0.00 60.37 57.93 2jan h HIS 183 Cb 0.77 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 2jan h HIS 183 CO 0.00 0.95 0.00 0.00 -1.30 0.00 0.00 177.93 177.58 2jan h ARG 184 N 0.24 0.29 0.00 5.26 3.08 -0.94 -2.23 114.38 120.08 2jan h ARG 184 Ca -0.03 -0.09 -0.24 0.00 0.07 0.00 0.00 59.98 59.70 2jan h ARG 184 Cb 1.28 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.26 2jan h ARG 184 CO 0.12 0.50 -1.29 0.00 -1.07 0.00 0.00 179.97 178.23 2jan h ARG 185 N 0.04 0.00 0.00 0.04 3.08 -1.28 -3.39 114.38 112.87 2jan h ARG 185 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2jan h ARG 185 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2jan h ARG 185 CO 0.01 0.74 -0.15 0.72 -1.07 0.00 0.00 179.97 180.22 2jan n HIS 186 N -3.20 0.00 -1.85 3.04 8.25 -0.55 -4.99 115.22 115.92 2jan n HIS 186 Ca -0.07 -0.21 -0.18 0.00 -0.26 0.00 0.00 57.72 57.01 2jan n HIS 186 Cb 0.97 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.99 2jan n HIS 186 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jan n GLY 187 N -0.26 0.86 3.71 -1.41 0.00 -0.84 -4.80 105.19 102.45 2jan n GLY 187 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2jan n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jan n THR 189 N 3.84 0.00 -3.72 0.00 5.66 -0.66 -4.23 114.28 115.15 2jan n THR 189 Ca 0.16 -0.34 -0.13 0.00 -3.05 0.00 0.00 64.05 60.69 2jan n THR 189 Cb 0.34 1.19 -0.10 0.00 -1.55 0.00 0.00 70.33 70.21 2jan n THR 189 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2jan s LEU 190 N -0.54 0.32 0.01 1.09 2.96 -1.19 -1.66 118.68 119.67 2jan s LEU 190 Ca 0.00 0.88 0.09 0.00 -0.22 0.00 0.00 54.13 54.87 2jan s LEU 190 Cb 0.00 1.49 -0.02 0.00 0.50 0.00 0.00 46.19 48.15 2jan s LEU 190 CO 0.00 -0.15 -0.26 -1.58 -1.32 0.00 0.00 176.35 173.04 2jan s GLN 191 N 0.28 1.93 0.12 1.98 0.74 -1.11 -1.23 119.66 122.36 2jan s GLN 191 Ca -0.00 -1.01 0.07 0.00 0.05 0.00 0.00 55.36 54.46 2jan s GLN 191 Cb -0.03 -1.98 -0.04 0.00 1.10 0.00 0.00 33.01 32.06 2jan s GLN 191 CO 0.00 0.53 -0.17 0.96 -0.55 0.00 0.00 175.29 176.06 2jan s ILE 192 N -0.71 1.52 0.00 -2.34 -4.36 0.10 -2.01 121.20 113.41 2jan s ILE 192 Ca 0.11 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 2jan s ILE 192 Cb -0.10 -1.52 0.00 0.00 1.25 0.00 0.00 42.46 42.09 2jan s ILE 192 CO 0.01 -0.24 0.00 0.61 0.24 0.00 0.00 174.94 175.56 2jan n GLY 193 N 0.80 1.94 3.77 6.27 0.00 -1.19 -4.35 105.19 112.43 2jan n GLY 193 Ca -0.17 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 2jan n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jan s GLY 194 N -1.05 1.58 0.16 -0.02 0.00 -1.26 -0.38 107.32 106.34 2jan s GLY 194 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 44.72 44.16 2jan s GLY 194 CO 0.00 0.10 1.61 0.00 0.00 0.00 0.00 173.10 174.81 2jan h ALA 195 N -1.53 0.73 -0.25 3.20 0.00 -1.57 -2.62 119.26 117.22 2jan h ALA 195 Ca -0.51 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2jan h ALA 195 Cb 1.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2jan h ALA 195 CO 0.61 0.58 0.16 0.38 0.00 0.00 0.00 179.25 180.98 2jan h ASP 196 N 0.84 0.27 0.46 0.00 3.04 -1.93 -2.77 116.42 116.35 2jan h ASP 196 Ca 0.15 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.93 2jan h ASP 196 Cb 0.57 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.80 2jan h ASP 196 CO 0.03 0.20 0.00 0.00 -2.04 0.00 0.00 179.24 177.43 2jan n GLN 197 N -4.50 0.28 -0.26 4.15 1.13 -0.99 -4.10 117.38 113.09 2jan n GLN 197 Ca 0.01 0.08 -0.01 0.00 -1.94 0.00 0.00 57.00 55.13 2jan n GLN 197 Cb 0.08 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 28.98 2jan n GLN 197 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 2jan h TRP 198 N 0.00 -0.73 -0.63 1.08 2.91 -1.58 -2.51 115.95 114.49 2jan h TRP 198 Ca 0.00 0.08 0.10 0.00 1.13 0.00 0.00 58.89 60.20 2jan h TRP 198 Cb 0.23 0.43 -0.12 0.00 -0.51 0.00 0.00 29.16 29.20 2jan h TRP 198 CO 0.00 -0.37 -0.38 0.78 -1.03 0.00 0.00 178.44 177.44 2jan h GLY 199 N -0.07 -0.23 1.21 2.65 0.00 -1.86 -0.21 103.07 104.56 2jan h GLY 199 Ca 0.31 0.50 0.00 0.00 0.00 0.00 0.00 47.33 48.14 2jan h GLY 199 CO -0.78 -0.19 -0.43 1.16 0.00 0.00 0.00 176.54 176.30 2jan n ASN 200 N -5.43 0.45 -0.07 0.19 2.04 -1.10 -2.61 115.26 108.73 2jan n ASN 200 Ca 0.04 -0.05 -0.12 0.00 -0.44 0.00 0.00 54.58 54.00 2jan n ASN 200 Cb 0.36 0.09 -0.06 0.00 -2.53 0.00 0.00 39.78 37.65 2jan n ASN 200 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 2jan h ILE 201 N 0.00 1.31 0.00 1.53 2.04 -0.65 -3.00 117.51 118.73 2jan h ILE 201 Ca 0.00 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 2jan h ILE 201 Cb 0.54 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2jan h ILE 201 CO 0.00 0.37 -0.25 -0.29 0.00 0.00 0.00 178.15 177.97 2jan h ILE 202 N 0.15 0.71 -0.59 -0.67 6.09 -1.25 -2.03 117.51 119.93 2jan h ILE 202 Ca 0.04 -1.09 0.09 0.00 -1.37 0.00 0.00 64.86 62.53 2jan h ILE 202 Cb 0.62 1.69 -0.07 0.00 0.47 0.00 0.00 36.82 39.53 2jan h ILE 202 CO 0.03 0.25 0.21 0.00 -3.07 0.00 0.00 178.15 175.58 2jan h ALA 203 N 1.75 0.75 0.28 0.18 0.00 -1.43 -0.63 119.26 120.15 2jan h ALA 203 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jan h ALA 203 Cb 0.67 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2jan h ALA 203 CO 0.03 -0.20 -0.13 0.78 0.00 0.00 0.00 179.25 179.73 2jan h GLY 204 N 0.39 -0.39 -0.51 0.00 0.00 -1.25 -1.25 103.07 100.06 2jan h GLY 204 Ca 0.30 0.14 0.14 0.00 0.00 0.00 0.00 47.33 47.91 2jan h GLY 204 CO -0.30 -0.14 -0.24 -2.08 0.00 0.00 0.00 176.54 173.78 2jan h VAL 205 N -0.70 0.21 0.22 4.60 2.07 -1.25 0.19 116.25 121.59 2jan h VAL 205 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2jan h VAL 205 Cb 0.48 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2jan h VAL 205 CO 0.06 0.00 -0.21 -0.09 0.02 0.00 0.00 177.57 177.35 2jan h ARG 206 N -0.05 -0.44 -0.62 1.57 2.43 -1.08 -2.75 114.38 113.44 2jan h ARG 206 Ca 0.32 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.56 2jan h ARG 206 Cb 0.55 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 2jan h ARG 206 CO -0.76 -0.29 0.41 1.25 -1.51 0.00 0.00 179.97 179.07 2jan h LEU 207 N -0.46 0.63 -1.38 3.80 5.85 -0.10 -1.22 115.31 122.42 2jan h LEU 207 Ca -0.00 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2jan h LEU 207 Cb 0.42 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2jan h LEU 207 CO -0.04 0.43 -0.16 0.58 -0.34 0.00 0.00 178.44 178.90 2jan h VAL 208 N 0.73 1.19 0.11 1.05 2.07 -0.40 -0.58 116.25 120.42 2jan h VAL 208 Ca 0.25 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2jan h VAL 208 Cb 0.10 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2jan h VAL 208 CO -0.07 0.26 -0.05 -0.09 0.02 0.00 0.00 177.57 177.63 2jan h ARG 209 N 0.20 -0.15 -0.09 1.57 2.43 -0.97 -0.85 114.38 116.52 2jan h ARG 209 Ca 0.04 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2jan h ARG 209 Cb 0.41 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 2jan h ARG 209 CO 0.03 0.33 -0.40 1.96 -1.51 0.00 0.00 179.97 180.38 2jan h GLN 210 N -0.89 -0.42 0.28 0.20 4.20 -1.34 0.48 115.11 117.62 2jan h GLN 210 Ca -0.02 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2jan h GLN 210 Cb 0.55 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2jan h GLN 210 CO 0.03 -0.28 -0.13 0.87 -0.67 0.00 0.00 178.83 178.64 2jan h LYS 211 N -0.44 -0.36 -0.00 1.46 1.57 -1.24 -3.37 116.57 114.19 2jan h LYS 211 Ca 0.02 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jan h LYS 211 Cb 0.51 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2jan h LYS 211 CO -0.32 -0.09 -0.65 1.28 -0.57 0.00 0.00 179.45 179.10 2jan n LEU 212 N -5.15 0.96 0.00 2.94 4.32 -0.36 -4.99 117.00 114.72 2jan n LEU 212 Ca -0.10 -0.56 0.00 0.00 -0.02 0.00 0.00 56.01 55.33 2jan n LEU 212 Cb 0.23 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 2jan n LEU 212 CO 0.33 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.32 2jan n GLY 213 N 1.32 2.68 3.78 -0.72 0.00 0.17 -4.95 105.19 107.46 2jan n GLY 213 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2jan n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jan s ALA 214 N -1.63 3.17 -0.23 4.61 0.00 -1.25 -4.86 121.76 121.57 2jan s ALA 214 Ca 0.00 0.75 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 2jan s ALA 214 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2jan s ALA 214 CO 0.00 -0.20 0.58 0.99 0.00 0.00 0.00 175.76 177.13 2jan s THR 215 N -1.53 5.04 0.45 0.00 2.01 -1.26 -3.54 115.64 116.81 2jan s THR 215 Ca 0.54 1.05 0.03 0.00 0.31 0.00 0.00 61.69 63.62 2jan s THR 215 Cb -0.24 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 2jan s THR 215 CO 0.31 0.10 0.05 0.68 -0.69 0.00 0.00 174.62 175.07 2jan s VAL 216 N 2.08 1.13 0.39 3.82 -7.23 -1.26 -5.09 120.40 114.23 2jan s VAL 216 Ca 0.25 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.47 2jan s VAL 216 Cb -0.16 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.32 2jan s VAL 216 CO 0.09 0.00 0.05 -1.00 -0.31 0.00 0.00 175.10 173.93 2jan s HIS 217 N -2.99 2.10 -0.10 2.82 3.76 -0.66 -4.97 115.29 115.25 2jan s HIS 217 Ca 0.19 -0.91 -0.08 0.00 -0.15 0.00 0.00 55.06 54.10 2jan s HIS 217 Cb 0.04 -1.46 0.03 0.00 1.11 0.00 0.00 32.58 32.29 2jan s HIS 217 CO 0.10 0.13 0.25 0.00 -0.85 0.00 0.00 174.74 174.37 2jan s ALA 218 N -3.05 -0.61 -0.13 -1.40 0.00 -1.26 -2.75 121.76 112.55 2jan s ALA 218 Ca 0.30 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 2jan s ALA 218 Cb 0.07 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.82 2jan s ALA 218 CO 0.15 -0.13 0.21 -1.17 0.00 0.00 0.00 175.76 174.82 2jan s LEU 219 N 0.28 -0.16 0.24 0.00 0.20 -0.85 -0.57 118.68 117.81 2jan s LEU 219 Ca -0.01 0.28 0.04 0.00 0.69 0.00 0.00 54.13 55.12 2jan s LEU 219 Cb -0.03 0.44 -0.03 0.00 -0.43 0.00 0.00 46.19 46.14 2jan s LEU 219 CO -0.01 -0.26 0.37 0.42 -0.29 0.00 0.00 176.35 176.58 2jan s THR 220 N 2.34 5.25 0.20 3.68 -4.23 0.24 -3.15 115.64 119.97 2jan s THR 220 Ca 0.03 -0.83 0.10 0.00 -1.18 0.00 0.00 61.69 59.82 2jan s THR 220 Cb -0.13 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 2jan s THR 220 CO -0.08 -0.31 -0.18 0.54 -0.54 0.00 0.00 174.62 174.05 2jan s VAL 221 N -1.98 2.70 0.49 2.29 0.11 0.49 -0.18 120.40 124.33 2jan s VAL 221 Ca 0.35 -1.91 -0.21 0.00 -2.93 0.00 0.00 61.98 57.27 2jan s VAL 221 Cb -0.10 -2.33 -0.07 0.00 -1.53 0.00 0.00 36.38 32.36 2jan s VAL 221 CO 0.30 -0.14 1.13 -2.84 -3.33 0.00 0.00 175.10 170.22 2jan s PRO 222 N -2.81 3.64 0.25 1.54 0.02 -1.25 -1.55 135.00 134.83 2jan s PRO 222 Ca 0.23 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 62.61 2jan s PRO 222 Cb -0.08 -2.24 -0.09 0.00 0.02 0.00 0.00 34.50 32.11 2jan s PRO 222 CO 0.12 -0.62 1.02 -0.51 -0.33 0.00 0.00 177.00 176.68 2jan s LEU 223 N -3.33 4.59 -0.31 -5.54 1.02 -1.26 -4.73 118.68 109.13 2jan s LEU 223 Ca 0.67 2.08 -0.19 0.00 0.02 0.00 0.00 54.13 56.72 2jan s LEU 223 Cb -0.25 -3.62 -0.01 0.00 0.02 0.00 0.00 46.19 42.33 2jan s LEU 223 CO 0.30 -0.00 0.55 -0.69 0.02 0.00 0.00 176.35 176.53 2jan s VAL 224 N -1.05 5.01 -0.03 -1.59 1.01 -1.26 -5.05 120.40 117.44 2jan s VAL 224 Ca 0.43 0.68 0.07 0.00 0.00 0.00 0.00 61.98 63.16 2jan s VAL 224 Cb -0.29 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 2jan s VAL 224 CO 0.36 -0.10 -0.23 -0.89 0.00 0.00 0.00 175.10 174.24 2jan s THR 225 N 2.44 1.85 0.75 3.92 2.01 -1.26 -2.52 115.64 122.82 2jan s THR 225 Ca 0.22 -0.99 -0.13 0.00 0.31 0.00 0.00 61.69 61.10 2jan s THR 225 Cb -0.15 -1.54 0.05 0.00 0.01 0.00 0.00 72.50 70.86 2jan s THR 225 CO 0.12 0.52 1.14 0.00 -0.69 0.00 0.00 174.62 175.71 2jan s ALA 226 N -0.43 2.16 0.49 7.40 0.00 0.14 -4.92 121.76 126.61 2jan s ALA 226 Ca 0.06 0.58 0.14 0.00 0.00 0.00 0.00 51.96 52.74 2jan s ALA 226 Cb -0.10 -3.37 1.15 0.00 0.00 0.00 0.00 23.12 20.80 2jan s ALA 226 CO 0.00 -1.79 2.11 0.00 0.00 0.00 0.00 175.76 176.08 2jan h ALA 227 N -0.63 1.90 0.00 0.00 0.00 -1.90 -0.96 119.26 117.66 2jan h ALA 227 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jan h ALA 227 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jan h ALA 227 CO 0.50 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 2jan n ASP 228 N -4.49 0.21 0.00 0.00 5.75 -1.26 -4.86 116.55 111.90 2jan n ASP 228 Ca -0.02 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 2jan n ASP 228 Cb 0.11 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2jan n ASP 228 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jan n GLY 229 N 0.32 2.68 3.78 6.12 0.00 -0.37 -5.02 105.19 112.71 2jan n GLY 229 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2jan n GLY 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jan s THR 230 N -2.08 3.33 0.30 2.61 -4.23 -1.26 -4.73 115.64 109.59 2jan s THR 230 Ca 0.00 0.64 -0.27 0.00 -1.18 0.00 0.00 61.69 60.88 2jan s THR 230 Cb 0.00 -3.17 -0.10 0.00 1.34 0.00 0.00 72.50 70.58 2jan s THR 230 CO 0.00 -0.36 0.96 -0.75 -0.54 0.00 0.00 174.62 173.93 2jan s LYS 231 N -4.00 4.64 0.36 3.99 2.20 -1.26 -0.68 119.74 124.99 2jan s LYS 231 Ca 0.67 1.42 -0.24 0.00 -0.36 0.00 0.00 55.97 57.46 2jan s LYS 231 Cb -0.20 -2.95 -0.10 0.00 -1.51 0.00 0.00 37.83 33.06 2jan s LYS 231 CO 0.39 0.32 0.95 0.12 -0.36 0.00 0.00 175.35 176.77 2jan s PHE 232 N -1.46 3.54 0.00 4.03 5.36 -1.05 -4.29 117.98 124.12 2jan s PHE 232 Ca 0.48 1.72 0.00 0.00 -0.96 0.00 0.00 56.93 58.16 2jan s PHE 232 Cb -0.22 -2.91 0.00 0.00 -0.34 0.00 0.00 43.02 39.55 2jan s PHE 232 CO 0.28 0.05 0.00 0.41 -1.46 0.00 0.00 175.22 174.50 2jan n GLY 233 N 0.15 0.42 3.60 13.12 0.00 -1.26 -4.84 105.19 116.38 2jan n GLY 233 Ca 0.04 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 2jan n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jan s LYS 234 N -2.26 2.43 0.53 1.61 -0.14 -1.26 -3.34 119.74 117.31 2jan s LYS 234 Ca 0.00 -0.82 -0.20 0.00 -1.36 0.00 0.00 55.97 53.59 2jan s LYS 234 Cb 0.00 -2.45 -0.07 0.00 -1.68 0.00 0.00 37.83 33.63 2jan s LYS 234 CO 0.00 0.57 1.11 0.45 -0.76 0.00 0.00 175.35 176.71 2jan s SER 235 N -1.76 5.90 0.08 2.83 0.15 0.37 -4.90 113.70 116.37 2jan s SER 235 Ca 0.20 2.11 -0.00 0.00 0.70 0.00 0.00 55.95 58.96 2jan s SER 235 Cb -0.11 -2.58 0.19 0.00 -1.71 0.00 0.00 66.02 61.81 2jan s SER 235 CO 0.11 -1.09 0.44 0.35 1.20 0.00 0.00 173.24 174.24 2jan n THR 236 N -1.19 -0.12 -3.45 6.45 -2.24 -1.26 -2.76 114.28 109.71 2jan n THR 236 Ca 0.11 0.63 -0.12 0.00 -2.27 0.00 0.00 64.05 62.39 2jan n THR 236 Cb 0.51 -0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 67.74 2jan n THR 236 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jan s GLY 237 N -3.92 -0.25 0.00 3.38 0.00 -1.26 -5.10 107.32 100.17 2jan s GLY 237 Ca -0.04 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.43 2jan s GLY 237 CO 0.22 2.42 0.00 0.61 0.00 0.00 0.00 173.10 176.35 2jan n GLY 238 N 5.35 0.51 0.00 0.20 0.00 -1.11 -5.13 105.19 105.01 2jan n GLY 238 Ca -0.05 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2jan n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jan n GLY 239 N 0.00 5.28 3.79 -0.02 0.00 -1.26 -4.33 105.19 108.64 2jan n GLY 239 Ca 0.00 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 2jan n GLY 239 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jan s SER 240 N 1.00 5.50 -0.34 1.61 0.01 -1.26 0.14 113.70 120.36 2jan s SER 240 Ca 0.00 1.93 -0.11 0.00 1.31 0.00 0.00 55.95 59.08 2jan s SER 240 Cb 0.00 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 2jan s SER 240 CO 0.00 -1.36 0.20 -0.76 0.41 0.00 0.00 173.24 171.73 2jan s LEU 241 N -4.57 4.39 0.14 2.44 1.02 -1.21 -4.71 118.68 116.18 2jan s LEU 241 Ca 0.66 -0.59 -0.09 0.00 0.02 0.00 0.00 54.13 54.13 2jan s LEU 241 Cb -0.19 -2.06 -0.06 0.00 0.02 0.00 0.00 46.19 43.91 2jan s LEU 241 CO 0.38 -0.25 0.45 0.26 0.02 0.00 0.00 176.35 177.20 2jan s TRP 242 N 1.64 3.51 -0.01 0.29 0.52 -1.26 -0.88 118.94 122.76 2jan s TRP 242 Ca 0.05 0.77 0.23 0.00 0.02 0.00 0.00 56.10 57.17 2jan s TRP 242 Cb -0.18 -2.16 0.73 0.00 -1.15 0.00 0.00 33.47 30.71 2jan s TRP 242 CO 0.08 0.42 1.74 -0.07 0.02 0.00 0.00 176.95 179.14 2jan h LEU 243 N 3.15 0.00 -9.35 2.99 3.38 0.13 -3.40 115.31 112.21 2jan h LEU 243 Ca -0.48 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 56.95 2jan h LEU 243 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2jan h LEU 243 CO 0.69 0.21 0.67 -0.62 0.09 0.00 0.00 178.44 179.48 2jan s ASP 244 N -6.18 7.05 0.44 -0.43 2.15 -1.26 -4.94 116.67 113.50 2jan s ASP 244 Ca 0.02 1.87 0.12 0.00 0.43 0.00 0.00 52.55 55.00 2jan s ASP 244 Cb 0.09 -2.56 0.98 0.00 -0.30 0.00 0.00 42.92 41.12 2jan s ASP 244 CO 0.65 -0.56 2.02 1.55 -0.17 0.00 0.00 175.17 178.66 2jan h PRO 245 N 7.34 0.16 -0.01 4.34 0.13 -1.85 -0.51 132.00 141.59 2jan h PRO 245 Ca -0.36 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2jan h PRO 245 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jan h PRO 245 CO 0.86 0.22 -0.09 1.04 -0.23 0.00 0.00 178.00 179.81 2jan n GLN 246 N -4.39 1.00 -0.13 0.86 6.02 -1.26 -2.81 117.38 116.67 2jan n GLN 246 Ca -0.01 -0.43 -0.25 0.00 -0.01 0.00 0.00 57.00 56.30 2jan n GLN 246 Cb 0.18 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.84 2jan n GLN 246 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2jan n MET 247 N -0.63 0.62 -3.96 -1.09 2.81 -0.73 -4.90 117.12 109.23 2jan n MET 247 Ca 0.17 0.24 -0.29 0.00 -1.81 0.00 0.00 57.70 56.00 2jan n MET 247 Cb 0.28 -1.52 -0.17 0.00 -0.71 0.00 0.00 33.22 31.11 2jan n MET 247 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2jan s THR 248 N -2.51 1.33 0.58 2.03 2.01 -0.28 -4.90 115.64 113.91 2jan s THR 248 Ca -0.36 -0.54 -0.19 0.00 0.31 0.00 0.00 61.69 60.91 2jan s THR 248 Cb 0.12 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 2jan s THR 248 CO 0.55 0.37 1.24 -0.94 -0.69 0.00 0.00 174.62 175.14 2jan s SER 249 N 1.58 5.20 0.40 3.53 1.04 -1.12 -3.86 113.70 120.45 2jan s SER 249 Ca 0.04 2.47 0.17 0.00 0.48 0.00 0.00 55.95 59.11 2jan s SER 249 Cb -0.13 -2.61 1.06 0.00 0.10 0.00 0.00 66.02 64.44 2jan s SER 249 CO -0.09 -1.59 1.80 -0.65 0.98 0.00 0.00 173.24 173.69 2jan h PRO 250 N 1.02 0.43 -0.34 4.02 0.11 -1.93 -0.03 132.00 135.27 2jan h PRO 250 Ca -0.51 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.60 2jan h PRO 250 Cb 1.30 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2jan h PRO 250 CO 0.56 0.28 0.19 -0.92 -0.21 0.00 0.00 178.00 177.90 2jan h TYR 251 N 0.44 0.35 -0.52 0.65 3.20 -1.92 0.05 116.97 119.22 2jan h TYR 251 Ca 0.55 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.37 2jan h TYR 251 Cb 1.32 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 2jan h TYR 251 CO -0.00 0.20 0.06 0.00 -1.64 0.00 0.00 178.16 176.78 2jan h ALA 252 N 1.16 1.13 0.68 1.82 0.00 -1.40 0.27 119.26 122.93 2jan h ALA 252 Ca 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2jan h ALA 252 Cb 0.02 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jan h ALA 252 CO -0.08 0.57 -0.33 2.35 0.00 0.00 0.00 179.25 181.76 2jan h TRP 253 N 0.79 -0.85 -0.34 0.00 2.91 -0.78 -0.03 115.95 117.66 2jan h TRP 253 Ca 0.16 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.23 2jan h TRP 253 Cb 0.39 0.28 -0.08 0.00 -0.51 0.00 0.00 29.16 29.23 2jan h TRP 253 CO 0.02 -0.50 -0.38 -0.92 -1.03 0.00 0.00 178.44 175.64 2jan h TYR 254 N -1.05 -1.07 -0.37 2.65 5.03 -0.86 -2.32 116.97 118.97 2jan h TYR 254 Ca -0.09 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 2jan h TYR 254 Cb 0.73 0.52 -0.02 0.00 1.55 0.00 0.00 36.73 39.51 2jan h TYR 254 CO -0.01 -0.42 0.13 1.96 -1.32 0.00 0.00 178.16 178.51 2jan h GLN 255 N -0.33 0.53 -0.14 1.82 1.08 -0.87 0.24 115.11 117.44 2jan h GLN 255 Ca 0.14 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.30 2jan h GLN 255 Cb 0.57 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 2jan h GLN 255 CO -0.52 0.45 -0.07 -0.92 -0.95 0.00 0.00 178.83 176.82 2jan h TYR 256 N 0.52 -0.17 0.00 2.96 3.20 -0.44 -2.15 116.97 120.89 2jan h TYR 256 Ca 0.13 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.85 2jan h TYR 256 Cb 0.14 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 2jan h TYR 256 CO 0.01 -0.12 -0.78 0.74 -1.64 0.00 0.00 178.16 176.37 2jan h PHE 257 N -0.06 0.00 0.00 -3.82 0.04 -1.07 -2.84 116.94 109.19 2jan h PHE 257 Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 2jan h PHE 257 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2jan h PHE 257 CO -0.21 0.78 0.00 -0.24 -0.60 0.00 0.00 178.31 178.04 2jan h VAL 258 N 0.00 0.00 -0.66 -0.55 3.04 -0.39 -2.73 116.25 114.96 2jan h VAL 258 Ca -0.01 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2jan h VAL 258 Cb 1.38 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 32.02 2jan h VAL 258 CO 0.10 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.25 2jan n ASN 259 N -3.07 3.87 -4.62 3.17 3.02 -0.82 -4.81 115.26 111.99 2jan n ASN 259 Ca -0.00 -2.00 -0.48 0.00 -0.03 0.00 0.00 54.58 52.06 2jan n ASN 259 Cb 0.24 -0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 2jan n ASN 259 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jan n THR 260 N 1.63 0.44 -1.69 3.41 -1.04 -1.03 -4.91 114.28 111.09 2jan n THR 260 Ca 0.24 -0.11 -0.38 0.00 -2.04 0.00 0.00 64.05 61.76 2jan n THR 260 Cb 0.62 -1.13 0.06 0.00 -1.82 0.00 0.00 70.33 68.06 2jan n THR 260 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jan n ALA 261 N 2.32 0.92 -0.24 2.41 0.00 -1.26 -4.79 120.51 119.87 2jan n ALA 261 Ca 0.16 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.76 2jan n ALA 261 Cb 0.25 -2.26 0.40 0.00 0.00 0.00 0.00 19.45 17.85 2jan n ALA 261 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2jan h ASP 262 N 0.77 0.61 -0.35 0.00 3.32 -1.99 -1.78 116.42 117.00 2jan h ASP 262 Ca -0.50 0.03 0.05 0.00 0.02 0.00 0.00 57.03 56.63 2jan h ASP 262 Cb 1.34 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 2jan h ASP 262 CO 0.53 0.32 0.24 0.00 -1.72 0.00 0.00 179.24 178.61 2jan h ALA 263 N 1.61 1.98 0.00 3.45 0.00 -2.02 -3.21 119.26 121.07 2jan h ALA 263 Ca 0.42 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 2jan h ALA 263 Cb 0.70 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2jan h ALA 263 CO -0.18 -0.04 -1.97 -0.25 0.00 0.00 0.00 179.25 176.81 2jan n ASP 264 N -4.48 0.58 -0.34 0.00 8.00 -0.74 -4.74 116.55 114.83 2jan n ASP 264 Ca 0.04 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.62 2jan n ASP 264 Cb 0.22 1.64 0.27 0.00 -0.02 0.00 0.00 41.12 43.23 2jan n ASP 264 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2jan h VAL 265 N 0.00 0.91 -0.22 2.53 3.04 -1.36 -0.50 116.25 120.65 2jan h VAL 265 Ca -0.13 -0.32 -0.14 0.00 -1.01 0.00 0.00 66.70 65.10 2jan h VAL 265 Cb 1.20 -0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 2jan h VAL 265 CO 0.01 0.17 -0.42 0.40 -1.01 0.00 0.00 177.57 176.71 2jan h ILE 266 N 0.93 1.31 -0.39 3.17 1.08 -1.85 -1.02 117.51 120.74 2jan h ILE 266 Ca 0.48 -1.64 -0.00 0.00 -0.39 0.00 0.00 64.86 63.31 2jan h ILE 266 Cb 0.52 1.80 -0.02 0.00 -3.07 0.00 0.00 36.82 36.05 2jan h ILE 266 CO -0.24 0.51 0.22 -0.09 -0.69 0.00 0.00 178.15 177.86 2jan h ARG 267 N 0.39 0.53 -0.28 2.37 2.43 -1.57 0.22 114.38 118.47 2jan h ARG 267 Ca 0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2jan h ARG 267 Cb 1.02 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 2jan h ARG 267 CO 0.09 0.42 0.06 1.88 -1.51 0.00 0.00 179.97 180.91 2jan h TYR 268 N 0.50 0.49 -0.91 2.20 -1.99 -1.16 0.53 116.97 116.62 2jan h TYR 268 Ca 0.14 -0.06 0.15 0.00 2.00 0.00 0.00 58.73 60.95 2jan h TYR 268 Cb 0.03 -0.14 -0.09 0.00 2.00 0.00 0.00 36.73 38.53 2jan h TYR 268 CO -0.03 0.54 0.52 -0.07 -0.00 0.00 0.00 178.16 179.12 2jan h LEU 269 N 0.29 0.68 -0.79 3.88 3.38 -0.84 0.22 115.31 122.13 2jan h LEU 269 Ca 0.09 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2jan h LEU 269 Cb 0.31 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2jan h LEU 269 CO 0.00 0.30 -0.32 -0.09 0.09 0.00 0.00 178.44 178.42 2jan h ARG 270 N 0.74 0.55 0.03 1.13 2.43 0.26 -2.65 114.38 116.87 2jan h ARG 270 Ca 0.49 -0.24 -0.30 0.00 -0.81 0.00 0.00 59.98 59.12 2jan h ARG 270 Cb 0.66 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 2jan h ARG 270 CO -0.34 0.80 -1.66 -1.49 -1.51 0.00 0.00 179.97 175.77 2jan h TRP 271 N 0.47 0.13 -0.01 2.20 6.55 0.07 -3.40 115.95 121.97 2jan h TRP 271 Ca 0.06 -0.10 0.00 0.00 0.95 0.00 0.00 58.89 59.80 2jan h TRP 271 Cb 0.78 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.08 2jan h TRP 271 CO 0.03 1.17 -0.75 1.19 -1.05 0.00 0.00 178.44 179.03 2jan n PHE 272 N -3.20 0.00 -4.42 0.49 3.72 0.69 -4.90 117.46 109.85 2jan n PHE 272 Ca -0.17 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.00 2jan n PHE 272 Cb 1.04 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 39.48 2jan n PHE 272 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2jan s THR 273 N -2.78 0.39 -0.58 4.37 -4.23 -1.00 -4.95 115.64 106.85 2jan s THR 273 Ca 0.13 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.78 2jan s THR 273 Cb 0.17 -2.41 0.45 0.00 1.34 0.00 0.00 72.50 72.05 2jan s THR 273 CO 0.74 0.00 1.37 0.49 -0.54 0.00 0.00 174.62 176.67 2jan n PHE 274 N -0.78 0.78 -1.68 3.99 3.01 -1.26 -4.82 117.46 116.69 2jan n PHE 274 Ca -0.01 -0.69 -0.42 0.00 1.01 0.00 0.00 57.45 57.34 2jan n PHE 274 Cb 0.64 -0.18 0.01 0.00 -0.01 0.00 0.00 39.48 39.93 2jan n PHE 274 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2jan n LEU 275 N 0.08 3.61 -4.68 4.37 4.77 -1.26 -4.99 117.00 118.89 2jan n LEU 275 Ca 0.17 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.99 2jan n LEU 275 Cb 0.69 -1.47 0.17 0.00 -2.33 0.00 0.00 43.42 40.48 2jan n LEU 275 CO 0.13 -0.76 0.65 -0.94 -1.33 0.00 0.00 177.39 175.13 2jan s SER 276 N -0.51 2.84 0.28 -1.43 1.04 -1.26 -4.84 113.70 109.83 2jan s SER 276 Ca 0.60 1.30 -0.02 0.00 0.48 0.00 0.00 55.95 58.30 2jan s SER 276 Cb -0.54 -1.97 0.40 0.00 0.10 0.00 0.00 66.02 64.01 2jan s SER 276 CO 0.59 -3.01 1.90 0.00 0.98 0.00 0.00 173.24 173.70 2jan h ALA 277 N -1.81 1.30 0.29 5.32 0.00 -1.99 -1.53 119.26 120.84 2jan h ALA 277 Ca -0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 2jan h ALA 277 Cb 1.31 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jan h ALA 277 CO 0.56 0.55 -0.14 -0.44 0.00 0.00 0.00 179.25 179.79 2jan h ASP 278 N 1.00 -0.33 -0.98 0.00 3.32 -1.99 -1.22 116.42 116.22 2jan h ASP 278 Ca 0.25 -0.21 0.28 0.00 0.02 0.00 0.00 57.03 57.38 2jan h ASP 278 Cb 0.06 0.08 -0.14 0.00 0.22 0.00 0.00 39.33 39.56 2jan h ASP 278 CO -0.04 0.10 0.53 -0.33 -1.72 0.00 0.00 179.24 177.78 2jan h GLU 279 N -0.83 0.39 -0.03 3.56 5.08 -1.91 -0.01 114.58 120.82 2jan h GLU 279 Ca -0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2jan h GLU 279 Cb 0.52 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jan h GLU 279 CO 0.07 0.26 0.00 -0.07 -1.00 0.00 0.00 179.01 178.27 2jan h LEU 280 N 0.40 0.06 -0.97 1.33 3.38 -1.24 -2.75 115.31 115.52 2jan h LEU 280 Ca 0.68 -0.29 0.21 0.00 0.09 0.00 0.00 57.88 58.57 2jan h LEU 280 Cb 1.43 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 42.05 2jan h LEU 280 CO -0.56 0.33 0.54 0.00 0.09 0.00 0.00 178.44 178.84 2jan h ALA 281 N 0.72 1.63 0.20 1.53 0.00 0.21 0.97 119.26 124.53 2jan h ALA 281 Ca 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2jan h ALA 281 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jan h ALA 281 CO 0.00 -0.20 -0.10 0.93 0.00 0.00 0.00 179.25 179.88 2jan h GLU 282 N 0.60 -0.27 -0.18 0.00 5.08 -1.02 -2.10 114.58 116.70 2jan h GLU 282 Ca 0.59 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.92 2jan h GLU 282 Cb 1.04 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2jan h GLU 282 CO -0.45 -0.10 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.27 2jan h LEU 283 N -0.38 0.28 0.01 1.33 3.38 -1.10 -0.90 115.31 117.93 2jan h LEU 283 Ca -0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jan h LEU 283 Cb 0.29 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2jan h LEU 283 CO 0.05 0.43 -0.01 -0.08 0.09 0.00 0.00 178.44 178.92 2jan h GLU 284 N 0.28 -0.02 -0.10 1.13 4.81 -0.61 0.21 114.58 120.28 2jan h GLU 284 Ca 0.06 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2jan h GLU 284 Cb 0.39 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2jan h GLU 284 CO 0.02 0.04 -0.02 0.37 -0.73 0.00 0.00 179.01 178.69 2jan h GLN 285 N -0.07 0.00 -0.68 1.92 4.15 -1.20 -1.07 115.11 118.17 2jan h GLN 285 Ca -0.00 -0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.56 2jan h GLN 285 Cb 0.07 -0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.63 2jan h GLN 285 CO 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 178.83 176.80 2jan h ALA 286 N 1.10 0.54 -0.43 3.38 0.00 -0.78 0.47 119.26 123.54 2jan h ALA 286 Ca 0.05 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2jan h ALA 286 Cb 0.07 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2jan h ALA 286 CO -0.10 -0.42 0.10 1.15 0.00 0.00 0.00 179.25 179.98 2jan h THR 287 N 0.04 1.24 -0.31 0.00 2.02 -0.14 0.49 112.91 116.24 2jan h THR 287 Ca 0.34 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 2jan h THR 287 Cb 0.55 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2jan h THR 287 CO -0.66 0.29 0.10 0.00 0.37 0.00 0.00 175.52 175.63 2jan h ALA 288 N 0.96 0.41 0.01 6.16 0.00 -0.37 -2.89 119.26 123.54 2jan h ALA 288 Ca 0.14 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2jan h ALA 288 Cb 0.33 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jan h ALA 288 CO 0.00 0.03 -0.47 1.96 0.00 0.00 0.00 179.25 180.77 2jan h GLN 289 N 0.34 0.30 -2.14 0.00 4.20 0.09 -3.40 115.11 114.50 2jan h GLN 289 Ca 0.10 -0.34 -0.54 0.00 0.06 0.00 0.00 58.65 57.93 2jan h GLN 289 Cb 0.23 0.10 -0.41 0.00 0.30 0.00 0.00 27.48 27.70 2jan h GLN 289 CO -0.00 1.05 -0.91 0.54 -0.67 0.00 0.00 178.83 178.83 2jan n ARG 290 N -4.33 2.09 0.05 1.46 1.74 0.17 -4.93 116.66 112.92 2jan n ARG 290 Ca -0.10 -4.12 0.15 0.00 -0.77 0.00 0.00 57.85 53.00 2jan n ARG 290 Cb 0.62 -1.96 0.63 0.00 -1.02 0.00 0.00 32.46 30.73 2jan n ARG 290 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2jan h PRO 291 N 3.08 0.09 0.00 5.56 0.13 -1.63 -1.13 132.00 138.10 2jan h PRO 291 Ca 0.12 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.18 2jan h PRO 291 Cb 0.73 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 2jan h PRO 291 CO 0.66 0.06 -0.31 -0.56 -0.23 0.00 0.00 178.00 177.63 2jan h GLN 292 N 0.10 0.00 0.00 0.86 -0.00 -1.91 -3.09 115.11 111.06 2jan h GLN 292 Ca 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.82 2jan h GLN 292 Cb 0.62 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.09 2jan h GLN 292 CO -0.02 0.31 -0.07 0.37 -0.00 0.00 0.00 178.83 179.42 2jan h GLN 293 N 0.00 0.00 -5.67 0.06 5.75 -1.59 -3.47 115.11 110.19 2jan h GLN 293 Ca -0.00 0.00 -0.43 0.00 -0.15 0.00 0.00 58.65 58.07 2jan h GLN 293 Cb 0.61 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.17 2jan h GLN 293 CO 0.04 0.07 -0.67 0.54 -2.65 0.00 0.00 178.83 176.16 2jan n ARG 294 N -3.12 -5.45 -0.06 1.69 1.74 -1.17 -4.89 116.66 105.39 2jan n ARG 294 Ca 0.03 0.68 -0.07 0.00 -0.77 0.00 0.00 57.85 57.73 2jan n ARG 294 Cb 0.54 -5.57 -0.02 0.00 -1.02 0.00 0.00 32.46 26.40 2jan n ARG 294 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jan h ALA 295 N 0.99 0.17 0.02 7.54 0.00 -1.89 -1.61 119.26 124.47 2jan h ALA 295 Ca -0.54 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jan h ALA 295 Cb 1.36 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2jan h ALA 295 CO 0.61 -0.47 -0.01 0.00 0.00 0.00 0.00 179.25 179.37 2jan h ALA 296 N 1.25 -0.02 -0.40 0.00 0.00 -1.90 -1.74 119.26 116.44 2jan h ALA 296 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2jan h ALA 296 Cb 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2jan h ALA 296 CO -0.27 -0.49 0.14 1.96 0.00 0.00 0.00 179.25 180.60 2jan h GLN 297 N -0.08 0.57 -0.03 0.00 7.50 -1.87 -1.01 115.11 120.19 2jan h GLN 297 Ca -0.00 -0.08 -0.15 0.00 0.50 0.00 0.00 58.65 58.92 2jan h GLN 297 Cb 0.07 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.48 2jan h GLN 297 CO 0.00 0.49 -0.66 0.00 -1.50 0.00 0.00 178.83 177.16 2jan h ARG 298 N 0.57 0.14 -0.14 1.46 3.08 -0.96 -0.99 114.38 117.54 2jan h ARG 298 Ca 0.14 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2jan h ARG 298 Cb 0.14 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2jan h ARG 298 CO -0.01 0.75 -0.12 -0.09 -1.07 0.00 0.00 179.97 179.43 2jan h ARG 299 N 0.10 0.34 0.04 0.04 9.65 -0.75 0.23 114.38 124.03 2jan h ARG 299 Ca -0.01 -0.17 0.03 0.00 -1.10 0.00 0.00 59.98 58.72 2jan h ARG 299 Cb 1.19 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.72 2jan h ARG 299 CO 0.10 0.71 -0.28 1.25 2.80 0.00 0.00 179.97 184.55 2jan h LEU 300 N -0.03 -0.81 -0.35 3.80 5.85 -1.16 0.54 115.31 123.15 2jan h LEU 300 Ca 0.03 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2jan h LEU 300 Cb 0.64 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 2jan h LEU 300 CO 0.03 -0.35 0.11 0.00 -0.34 0.00 0.00 178.44 177.89 2jan h ALA 301 N 0.33 0.39 -0.15 1.25 0.00 -1.17 0.24 119.26 120.14 2jan h ALA 301 Ca 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jan h ALA 301 Cb 0.51 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2jan h ALA 301 CO -0.22 -0.29 0.09 1.03 0.00 0.00 0.00 179.25 179.87 2jan h SER 302 N 0.25 0.18 -0.48 0.00 0.87 -0.66 -0.50 113.55 113.21 2jan h SER 302 Ca 0.16 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2jan h SER 302 Cb 0.15 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2jan h SER 302 CO -0.18 0.17 0.23 -0.33 -0.53 0.00 0.00 176.83 176.19 2jan h GLU 303 N 0.18 0.69 0.00 2.24 4.39 0.50 -2.30 114.58 120.27 2jan h GLU 303 Ca 0.05 -0.10 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 2jan h GLU 303 Cb 0.02 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2jan h GLU 303 CO -0.01 0.58 -0.72 -0.07 -1.16 0.00 0.00 179.01 177.64 2jan h LEU 304 N 0.63 0.00 -0.38 1.33 3.38 -0.92 -1.99 115.31 117.35 2jan h LEU 304 Ca 0.16 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 2jan h LEU 304 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2jan h LEU 304 CO -0.02 0.72 -0.81 0.74 0.09 0.00 0.00 178.44 179.15 2jan h THR 305 N 0.00 1.53 -0.13 0.22 2.02 -1.07 -2.86 112.91 112.62 2jan h THR 305 Ca -0.01 -2.63 -0.05 0.00 0.77 0.00 0.00 66.41 64.50 2jan h THR 305 Cb 1.51 2.43 -0.00 0.00 -1.74 0.00 0.00 68.15 70.36 2jan h THR 305 CO 0.09 0.76 -0.11 0.58 0.37 0.00 0.00 175.52 177.21 2jan h VAL 306 N 0.05 1.34 -0.56 3.16 2.07 -1.41 0.10 116.25 121.00 2jan h VAL 306 Ca -0.02 -1.25 0.11 0.00 0.82 0.00 0.00 66.70 66.36 2jan h VAL 306 Cb 1.42 1.88 -0.10 0.00 -1.52 0.00 0.00 31.29 32.97 2jan h VAL 306 CO 0.11 0.36 -0.11 0.25 0.02 0.00 0.00 177.57 178.21 2jan h LEU 307 N -0.07 -0.45 0.03 2.57 6.46 -1.37 -0.38 115.31 122.10 2jan h LEU 307 Ca 0.02 0.16 -0.24 0.00 -0.12 0.00 0.00 57.88 57.71 2jan h LEU 307 Cb 0.63 0.32 -0.03 0.00 -0.73 0.00 0.00 40.66 40.85 2jan h LEU 307 CO 0.03 -0.17 -1.28 0.58 -0.62 0.00 0.00 178.44 176.98 2jan h VAL 308 N 0.03 0.96 -0.06 1.05 2.07 -1.55 -3.41 116.25 115.33 2jan h VAL 308 Ca 0.27 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2jan h VAL 308 Cb 0.43 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2jan h VAL 308 CO -0.55 0.46 0.00 1.41 0.02 0.00 0.00 177.57 178.91 2jan n HIS 309 N -4.26 0.06 0.00 1.57 8.25 0.00 -5.02 115.22 115.82 2jan n HIS 309 Ca -0.30 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 2jan n HIS 309 Cb 0.74 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.85 2jan n HIS 309 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jan n GLY 310 N 0.65 -1.57 0.35 -1.41 0.00 -0.15 -4.17 105.19 98.88 2jan n GLY 310 Ca 0.07 -1.56 -0.05 0.00 0.00 0.00 0.00 46.02 44.49 2jan n GLY 310 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jan h GLU 311 N 0.00 1.22 0.37 1.61 4.39 -1.86 -2.87 114.58 117.44 2jan h GLU 311 Ca 0.00 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 2jan h GLU 311 Cb 0.00 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.43 2jan h GLU 311 CO 0.00 0.93 -0.18 0.00 -1.16 0.00 0.00 179.01 178.60 2jan h ALA 312 N 1.23 -0.50 -0.34 3.43 0.00 -1.97 0.12 119.26 121.23 2jan h ALA 312 Ca 0.29 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jan h ALA 312 Cb 0.10 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jan h ALA 312 CO -0.04 -0.72 0.22 0.00 0.00 0.00 0.00 179.25 178.72 2jan h ALA 313 N -0.04 1.78 -0.23 0.00 0.00 -1.72 -1.07 119.26 117.98 2jan h ALA 313 Ca -0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2jan h ALA 313 Cb 0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jan h ALA 313 CO 0.08 0.20 -0.30 1.15 0.00 0.00 0.00 179.25 180.38 2jan h THR 314 N 0.44 1.32 -0.42 0.00 2.02 -1.25 -1.58 112.91 113.45 2jan h THR 314 Ca 0.13 -1.50 0.08 0.00 0.77 0.00 0.00 66.41 65.89 2jan h THR 314 Cb -0.03 1.75 -0.07 0.00 -1.74 0.00 0.00 68.15 68.06 2jan h THR 314 CO -0.03 0.47 -0.02 0.00 0.37 0.00 0.00 175.52 176.31 2jan h ALA 315 N 0.65 0.36 -0.20 6.16 0.00 -0.13 -1.61 119.26 124.50 2jan h ALA 315 Ca 0.03 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2jan h ALA 315 Cb 0.88 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2jan h ALA 315 CO 0.07 -0.41 0.07 0.00 0.00 0.00 0.00 179.25 178.99 2jan h ALA 316 N 1.38 0.22 -0.22 0.00 0.00 -1.14 -1.76 119.26 117.75 2jan h ALA 316 Ca 0.20 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2jan h ALA 316 Cb 0.30 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2jan h ALA 316 CO -0.36 -0.35 -0.19 0.28 0.00 0.00 0.00 179.25 178.63 2jan h VAL 317 N 0.17 1.23 -0.16 0.00 2.07 -1.00 0.28 116.25 118.85 2jan h VAL 317 Ca 0.08 -1.06 -0.13 0.00 0.82 0.00 0.00 66.70 66.41 2jan h VAL 317 Cb 0.05 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2jan h VAL 317 CO -0.08 0.34 -0.39 -0.33 0.02 0.00 0.00 177.57 177.12 2jan h GLU 318 N 0.34 0.54 -0.29 1.57 5.08 -1.20 -2.71 114.58 117.91 2jan h GLU 318 Ca 0.06 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2jan h GLU 318 Cb 0.53 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2jan h GLU 318 CO 0.04 0.99 0.18 0.45 -1.00 0.00 0.00 179.01 179.67 2jan h HIS 319 N 0.18 0.38 0.08 4.33 3.86 -0.95 -2.20 115.15 120.84 2jan h HIS 319 Ca -0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2jan h HIS 319 Cb 1.01 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 2jan h HIS 319 CO 0.10 0.28 -0.22 0.00 0.86 0.00 0.00 177.93 178.95 2jan h ALA 320 N 1.08 -0.35 0.00 2.45 0.00 -1.00 0.25 119.26 121.69 2jan h ALA 320 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jan h ALA 320 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jan h ALA 320 CO -0.02 -0.74 0.00 0.66 0.00 0.00 0.00 179.25 179.15 2jan h SER 321 N -0.39 0.00 0.00 0.00 4.64 -1.43 0.14 113.55 116.50 2jan h SER 321 Ca 0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 2jan h SER 321 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 2jan h SER 321 CO -0.15 0.00 -0.74 0.03 -0.87 0.00 0.00 176.83 175.11 2jan h ARG 322 N 0.00 0.00 -0.63 4.77 3.08 -0.67 -3.39 114.38 117.54 2jan h ARG 322 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jan h ARG 322 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2jan h ARG 322 CO 0.00 0.87 0.38 0.00 -1.07 0.00 0.00 179.97 180.15 2jan h ALA 323 N -0.40 1.48 0.00 0.04 0.00 -0.25 -2.45 119.26 117.67 2jan h ALA 323 Ca -0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2jan h ALA 323 Cb 1.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2jan h ALA 323 CO -0.12 0.45 -0.07 1.25 0.00 0.00 0.00 179.25 180.76 2jan h LEU 324 N 0.87 0.00 -4.16 0.00 5.85 -0.93 -2.17 115.31 114.76 2jan h LEU 324 Ca 0.23 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.34 2jan h LEU 324 Cb -0.04 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 40.61 2jan h LEU 324 CO -0.04 0.07 -0.27 0.49 -0.34 0.00 0.00 178.44 178.34 2jan n PHE 325 N -3.47 3.06 0.00 1.25 3.72 -1.14 -4.97 117.46 115.90 2jan n PHE 325 Ca -0.02 -2.63 0.00 0.00 -0.05 0.00 0.00 57.45 54.75 2jan n PHE 325 Cb 0.20 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 2jan n PHE 325 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jan n GLY 326 N -0.66 1.40 3.14 1.37 0.00 -0.82 -4.88 105.19 104.74 2jan n GLY 326 Ca 0.47 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 2jan n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jan n ARG 327 N 0.00 0.00 0.00 1.61 5.12 -0.94 -4.60 116.66 117.85 2jan n ARG 327 Ca 0.00 -0.59 0.00 0.00 -1.93 0.00 0.00 57.85 55.33 2jan n ARG 327 Cb 0.00 -1.99 0.00 0.00 -1.16 0.00 0.00 32.46 29.31 2jan n ARG 327 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jan n GLY 328 N 4.18 2.53 3.48 -0.13 0.00 -1.26 -3.30 105.19 110.69 2jan n GLY 328 Ca 0.18 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 2jan n GLY 328 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jan s GLU 329 N -1.79 3.29 0.00 1.61 2.12 -1.26 -4.54 118.70 118.13 2jan s GLU 329 Ca 0.00 -0.78 0.30 0.00 0.36 0.00 0.00 54.97 54.86 2jan s GLU 329 Cb 0.00 -3.76 1.54 0.00 0.26 0.00 0.00 34.13 32.17 2jan s GLU 329 CO 0.00 -0.52 2.03 1.47 -0.54 0.00 0.00 175.26 177.70 2jan n LEU 330 N 5.07 0.43 0.20 2.70 -0.00 -1.26 -3.05 117.00 121.08 2jan n LEU 330 Ca -0.13 -0.08 0.04 0.00 -0.00 0.00 0.00 56.01 55.84 2jan n LEU 330 Cb 0.49 -0.07 0.40 0.00 -0.00 0.00 0.00 43.42 44.25 2jan n LEU 330 CO 0.37 0.07 0.76 0.00 -0.00 0.00 0.00 177.39 178.59 2jan h ALA 331 N 3.94 1.40 0.00 1.47 0.00 -1.98 -3.11 119.26 120.98 2jan h ALA 331 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2jan h ALA 331 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jan h ALA 331 CO 0.00 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2jan h ARG 332 N 0.00 0.00 -6.99 0.00 2.47 -1.99 -3.48 114.38 104.40 2jan h ARG 332 Ca -0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.19 2jan h ARG 332 Cb 0.60 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 29.01 2jan h ARG 332 CO 0.04 0.00 0.55 -0.51 0.56 0.00 0.00 179.97 180.62 2jan s LEU 333 N -5.78 4.06 0.12 3.04 1.43 -1.18 -4.97 118.68 115.40 2jan s LEU 333 Ca 0.06 2.52 -0.31 0.00 -1.03 0.00 0.00 54.13 55.37 2jan s LEU 333 Cb 0.07 -4.11 -0.09 0.00 0.03 0.00 0.00 46.19 42.10 2jan s LEU 333 CO 0.61 -1.00 1.51 1.51 0.23 0.00 0.00 176.35 179.21 2jan s ASP 334 N -1.05 6.69 0.23 2.29 3.84 -1.26 -4.93 116.67 122.48 2jan s ASP 334 Ca 0.62 2.45 -0.07 0.00 -0.00 0.00 0.00 52.55 55.56 2jan s ASP 334 Cb -0.34 -2.58 0.39 0.00 -1.38 0.00 0.00 42.92 39.00 2jan s ASP 334 CO 0.42 -0.77 1.72 -0.08 -0.00 0.00 0.00 175.17 176.46 2jan h GLU 335 N 7.18 0.35 -0.65 2.11 4.81 -1.99 -1.49 114.58 124.90 2jan h GLU 335 Ca -0.42 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 58.91 2jan h GLU 335 Cb 1.20 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.42 2jan h GLU 335 CO 0.90 0.23 0.18 0.00 -0.73 0.00 0.00 179.01 179.60 2jan h ALA 336 N 1.52 0.82 0.22 2.92 0.00 -2.00 -0.62 119.26 122.12 2jan h ALA 336 Ca 0.37 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 2jan h ALA 336 Cb 0.56 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jan h ALA 336 CO -0.41 -0.27 -0.11 1.15 0.00 0.00 0.00 179.25 179.62 2jan h THR 337 N 0.32 0.86 -0.97 0.00 2.02 -1.75 -2.95 112.91 110.45 2jan h THR 337 Ca 0.35 -0.65 0.16 0.00 0.77 0.00 0.00 66.41 67.04 2jan h THR 337 Cb 0.51 1.22 -0.10 0.00 -1.74 0.00 0.00 68.15 68.05 2jan h THR 337 CO -0.40 0.14 0.58 0.25 0.37 0.00 0.00 175.52 176.46 2jan h LEU 338 N -0.64 0.78 0.59 2.58 6.46 -0.96 0.22 115.31 124.35 2jan h LEU 338 Ca -0.03 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2jan h LEU 338 Cb 0.46 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 2jan h LEU 338 CO 0.05 0.33 -0.37 0.00 -0.62 0.00 0.00 178.44 177.83 2jan h ALA 339 N 1.59 -0.94 -0.32 1.25 0.00 -1.12 -1.02 119.26 118.70 2jan h ALA 339 Ca 0.53 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.33 2jan h ALA 339 Cb 0.72 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 2jan h ALA 339 CO -0.34 -1.04 -0.12 0.00 0.00 0.00 0.00 179.25 177.74 2jan h ALA 340 N -0.59 0.15 -0.61 0.00 0.00 -1.11 0.58 119.26 117.68 2jan h ALA 340 Ca -0.07 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.09 2jan h ALA 340 Cb 0.75 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 18.75 2jan h ALA 340 CO 0.07 -0.50 0.02 0.00 0.00 0.00 0.00 179.25 178.83 2jan h ALA 341 N 1.23 0.62 0.00 0.00 0.00 -0.39 -1.96 119.26 118.76 2jan h ALA 341 Ca 0.16 0.18 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 2jan h ALA 341 Cb 0.31 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2jan h ALA 341 CO -0.37 -0.38 -0.69 -0.07 0.00 0.00 0.00 179.25 177.73 2jan h LEU 342 N 0.13 0.00 -1.12 0.00 3.38 -0.77 -3.23 115.31 113.70 2jan h LEU 342 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2jan h LEU 342 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2jan h LEU 342 CO -0.51 0.69 0.00 0.03 0.09 0.00 0.00 178.44 178.74 2jan h ARG 343 N 0.00 0.00 -0.07 1.13 3.08 -0.12 -2.68 114.38 115.71 2jan h ARG 343 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2jan h ARG 343 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.55 2jan h ARG 343 CO 0.09 0.00 -0.25 0.93 -1.07 0.00 0.00 179.97 179.67 2jan h GLU 344 N 0.00 0.29 0.00 0.04 4.39 -1.49 -3.46 114.58 114.35 2jan h GLU 344 Ca 0.00 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 2jan h GLU 344 Cb 0.40 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2jan h GLU 344 CO 0.00 0.85 0.02 0.25 -1.16 0.00 0.00 179.01 178.97 2jan n THR 345 N -4.49 0.00 -3.27 1.13 -2.24 -1.01 -5.02 114.28 99.38 2jan n THR 345 Ca -0.08 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 2jan n THR 345 Cb 0.46 -1.63 -0.08 0.00 -2.10 0.00 0.00 70.33 66.97 2jan n THR 345 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jan s THR 346 N -1.13 5.04 -0.20 4.28 -1.32 -1.26 -4.98 115.64 116.07 2jan s THR 346 Ca 0.04 0.13 -0.05 0.00 -1.21 0.00 0.00 61.69 60.60 2jan s THR 346 Cb -0.00 -3.97 -0.02 0.00 -1.51 0.00 0.00 72.50 66.99 2jan s THR 346 CO 0.03 -0.27 -0.00 0.54 -2.21 0.00 0.00 174.62 172.70 2jan s VAL 347 N 2.32 3.92 -0.27 5.08 0.11 -1.26 -3.26 120.40 127.04 2jan s VAL 347 Ca 0.16 -0.32 -0.14 0.00 -2.93 0.00 0.00 61.98 58.75 2jan s VAL 347 Cb -0.16 -2.77 -0.04 0.00 -1.53 0.00 0.00 36.38 31.88 2jan s VAL 347 CO 0.14 0.43 0.35 0.00 -3.33 0.00 0.00 175.10 172.69 2jan s ALA 348 N 0.97 3.56 -0.44 1.54 0.00 0.23 -4.93 121.76 122.69 2jan s ALA 348 Ca 0.01 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 50.90 2jan s ALA 348 Cb -0.14 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.31 2jan s ALA 348 CO 0.02 -0.65 0.76 -1.21 0.00 0.00 0.00 175.76 174.68 2jan s GLU 349 N 2.04 3.42 -1.09 0.00 2.02 -1.26 -1.51 118.70 122.31 2jan s GLU 349 Ca 0.14 -0.11 -0.16 0.00 0.02 0.00 0.00 54.97 54.86 2jan s GLU 349 Cb -0.16 -3.93 0.15 0.00 0.10 0.00 0.00 34.13 30.29 2jan s GLU 349 CO 0.10 -1.07 1.32 -1.17 0.02 0.00 0.00 175.26 174.47 2jan s LEU 350 N 3.19 4.96 0.92 1.80 2.96 0.68 -4.90 118.68 128.29 2jan s LEU 350 Ca 0.29 -2.55 -0.10 0.00 -0.22 0.00 0.00 54.13 51.55 2jan s LEU 350 Cb -0.13 -2.41 0.15 0.00 0.50 0.00 0.00 46.19 44.30 2jan s LEU 350 CO 0.21 -0.91 1.14 2.29 -1.32 0.00 0.00 176.35 177.76 2jan n LYS 351 N 6.22 -0.50 -2.09 1.98 0.00 -1.26 -1.94 118.16 120.57 2jan n LYS 351 Ca 0.32 -0.08 -0.42 0.00 -0.00 0.00 0.00 58.31 58.13 2jan n LYS 351 Cb 0.46 -2.37 -0.03 0.00 -0.00 0.00 0.00 35.03 33.09 2jan n LYS 351 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jan s PRO 352 N -4.63 4.30 0.00 -1.58 0.04 -1.26 -3.34 135.00 128.53 2jan s PRO 352 Ca 0.67 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.90 2jan s PRO 352 Cb -0.23 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2jan s PRO 352 CO 0.58 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.62 2jan n GLY 353 N 2.83 3.08 3.66 0.56 0.00 -1.26 -5.07 105.19 108.98 2jan n GLY 353 Ca 0.09 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 2jan n GLY 353 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jan n SER 354 N 1.07 0.49 -4.77 1.61 3.41 -1.21 -4.87 113.62 109.35 2jan n SER 354 Ca 0.00 0.51 -0.40 0.00 -0.26 0.00 0.00 58.87 58.73 2jan n SER 354 Cb 0.00 -1.47 -0.01 0.00 -0.26 0.00 0.00 64.21 62.47 2jan n SER 354 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2jan s PRO 355 N -4.21 4.04 -0.16 4.33 0.02 -1.26 -4.96 135.00 132.80 2jan s PRO 355 Ca 0.70 2.14 -0.11 0.00 0.02 0.00 0.00 61.00 63.75 2jan s PRO 355 Cb -0.27 -2.80 -0.23 0.00 0.02 0.00 0.00 34.50 31.22 2jan s PRO 355 CO 0.55 -0.43 0.26 -0.25 -0.33 0.00 0.00 177.00 176.80 2jan n ASP 356 N 0.24 2.04 -4.08 2.53 8.00 -1.26 -4.72 116.55 119.30 2jan n ASP 356 Ca 0.03 0.25 -0.47 0.00 0.71 0.00 0.00 54.79 55.31 2jan n ASP 356 Cb 0.43 -0.87 -0.04 0.00 -0.02 0.00 0.00 41.12 40.63 2jan n ASP 356 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jan n GLY 357 N 1.83 -1.23 0.37 0.44 0.00 -1.26 -4.48 105.19 100.87 2jan n GLY 357 Ca -0.34 0.42 0.29 0.00 0.00 0.00 0.00 46.02 46.39 2jan n GLY 357 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jan h ILE 358 N 1.44 0.21 -0.44 -0.61 6.09 -1.24 0.13 117.51 123.10 2jan h ILE 358 Ca -0.32 -0.07 -0.13 0.00 -1.37 0.00 0.00 64.86 62.97 2jan h ILE 358 Cb 1.32 -0.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.59 2jan h ILE 358 CO 0.55 0.04 -0.23 0.58 -3.07 0.00 0.00 178.15 176.01 2jan h VAL 359 N 0.20 1.27 -0.55 2.19 2.07 -1.85 -2.12 116.25 117.47 2jan h VAL 359 Ca 0.77 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 2jan h VAL 359 Cb 2.02 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 2jan h VAL 359 CO -0.56 0.47 0.21 0.44 0.02 0.00 0.00 177.57 178.14 2jan h ASP 360 N 0.78 0.77 -0.54 0.57 3.32 -1.06 -2.53 116.42 117.73 2jan h ASP 360 Ca 0.10 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 2jan h ASP 360 Cb 0.78 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2jan h ASP 360 CO 0.06 0.74 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.25 2jan h LEU 361 N 0.76 0.94 -0.32 1.55 3.38 -1.37 0.21 115.31 120.46 2jan h LEU 361 Ca 0.18 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2jan h LEU 361 Cb 0.22 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 2jan h LEU 361 CO -0.01 1.03 -0.05 -0.07 0.09 0.00 0.00 178.44 179.42 2jan h LEU 362 N 0.83 -0.24 -0.93 1.67 3.38 -1.28 0.13 115.31 118.87 2jan h LEU 362 Ca 0.15 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 2jan h LEU 362 Cb 0.55 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2jan h LEU 362 CO 0.03 -0.08 -0.34 0.58 0.09 0.00 0.00 178.44 178.72 2jan h VAL 363 N 0.03 1.29 -0.63 1.22 2.07 -1.22 -2.36 116.25 116.64 2jan h VAL 363 Ca 0.16 -1.40 -0.08 0.00 0.82 0.00 0.00 66.70 66.20 2jan h VAL 363 Cb 0.23 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2jan h VAL 363 CO -0.31 0.43 0.08 0.00 0.02 0.00 0.00 177.57 177.79 2jan h ALA 364 N 1.33 0.84 -0.01 1.67 0.00 0.06 -3.26 119.26 119.89 2jan h ALA 364 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jan h ALA 364 Cb 0.75 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jan h ALA 364 CO 0.06 0.62 -0.19 -1.13 0.00 0.00 0.00 179.25 178.61 2jan n SER 365 N -4.24 1.31 0.00 0.00 3.41 0.40 -4.70 113.62 109.81 2jan n SER 365 Ca 0.04 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 2jan n SER 365 Cb 0.30 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2jan n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jan n GLY 366 N 1.30 1.35 0.19 5.00 0.00 -1.05 -4.75 105.19 107.22 2jan n GLY 366 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 2jan n GLY 366 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jan h LEU 367 N 0.00 0.15 -8.28 0.99 3.38 -1.74 -3.42 115.31 106.38 2jan h LEU 367 Ca 0.00 -0.06 -0.41 0.00 0.09 0.00 0.00 57.88 57.50 2jan h LEU 367 Cb 0.00 -0.04 -0.24 0.00 0.09 0.00 0.00 40.66 40.46 2jan h LEU 367 CO 0.00 0.55 -0.78 -0.44 0.09 0.00 0.00 178.44 177.85 2jan s SER 368 N -6.89 1.50 0.24 -0.43 0.01 -1.06 -5.02 113.70 102.04 2jan s SER 368 Ca -0.04 -0.45 0.15 0.00 1.31 0.00 0.00 55.95 56.92 2jan s SER 368 Cb 0.14 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.30 2jan s SER 368 CO 0.76 0.00 1.35 0.00 0.41 0.00 0.00 173.24 175.76 2jan h ALA 369 N 4.92 0.64 -2.34 1.44 0.00 -1.88 -3.35 119.26 118.70 2jan h ALA 369 Ca -0.37 -0.54 -0.24 0.00 0.00 0.00 0.00 54.91 53.76 2jan h ALA 369 Cb 1.18 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 2jan h ALA 369 CO 0.44 0.71 -0.70 0.45 0.00 0.00 0.00 179.25 180.14 2jan s SER 370 N -6.39 1.19 0.06 0.00 0.15 -1.26 -5.02 113.70 102.44 2jan s SER 370 Ca 0.03 -0.96 0.24 0.00 0.70 0.00 0.00 55.95 55.97 2jan s SER 370 Cb 0.08 0.08 0.99 0.00 -1.71 0.00 0.00 66.02 65.45 2jan s SER 370 CO 0.76 -0.42 1.77 2.29 1.20 0.00 0.00 173.24 178.84 2jan n LYS 371 N 0.11 0.06 -0.09 5.44 0.00 -1.26 -1.32 118.16 121.10 2jan n LYS 371 Ca -0.13 0.14 -0.15 0.00 -0.00 0.00 0.00 58.31 58.17 2jan n LYS 371 Cb 0.60 -1.59 -0.08 0.00 -0.00 0.00 0.00 35.03 33.97 2jan n LYS 371 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2jan h GLY 372 N 4.05 0.00 -0.17 2.58 0.00 -1.96 -3.28 103.07 104.30 2jan h GLY 372 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.59 2jan h GLY 372 CO 0.00 0.00 0.65 0.00 0.00 0.00 0.00 176.54 177.19 2jan h ALA 373 N -0.66 2.09 0.95 3.60 0.00 -1.95 0.35 119.26 123.63 2jan h ALA 373 Ca -0.20 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2jan h ALA 373 Cb 0.98 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2jan h ALA 373 CO -0.12 -0.52 -0.45 0.00 0.00 0.00 0.00 179.25 178.15 2jan h ALA 374 N 1.66 -1.31 -0.94 0.00 0.00 -1.40 -1.61 119.26 115.65 2jan h ALA 374 Ca 0.62 -0.28 0.28 0.00 0.00 0.00 0.00 54.91 55.54 2jan h ALA 374 Cb 1.43 0.49 -0.16 0.00 0.00 0.00 0.00 17.79 19.56 2jan h ALA 374 CO -0.36 -1.22 0.31 0.00 0.00 0.00 0.00 179.25 177.97 2jan h ARG 375 N -1.30 0.16 0.50 0.00 3.08 -0.53 -1.04 114.38 115.25 2jan h ARG 375 Ca -0.13 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2jan h ARG 375 Cb 0.97 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2jan h ARG 375 CO 0.21 0.11 -0.28 0.00 -1.07 0.00 0.00 179.97 178.94 2jan h ARG 376 N 0.17 -0.70 -0.44 0.04 2.47 -0.58 -3.23 114.38 112.11 2jan h ARG 376 Ca 0.64 0.05 0.13 0.00 -1.26 0.00 0.00 59.98 59.53 2jan h ARG 376 Cb 1.40 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 29.86 2jan h ARG 376 CO -0.71 -0.46 0.35 1.79 0.56 0.00 0.00 179.97 181.49 2jan h THR 377 N -0.72 0.66 -1.00 2.04 1.35 -0.20 0.15 112.91 115.19 2jan h THR 377 Ca -0.07 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 65.95 2jan h THR 377 Cb 0.57 0.75 -0.09 0.00 -1.73 0.00 0.00 68.15 67.65 2jan h THR 377 CO 0.09 0.00 0.62 0.40 -0.25 0.00 0.00 175.52 176.38 2jan h ILE 378 N 0.00 0.81 -4.01 6.82 2.04 -1.35 -2.97 117.51 118.85 2jan h ILE 378 Ca 0.21 -0.29 -0.46 0.00 1.00 0.00 0.00 64.86 65.31 2jan h ILE 378 Cb 0.90 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2jan h ILE 378 CO -0.00 0.16 0.29 -1.00 0.00 0.00 0.00 178.15 177.59 2jan s HIS 379 N -5.88 3.38 0.00 1.37 3.76 0.04 -3.01 115.29 114.95 2jan s HIS 379 Ca -0.11 1.44 0.00 0.00 -0.15 0.00 0.00 55.06 56.23 2jan s HIS 379 Cb 0.24 -2.73 0.00 0.00 1.11 0.00 0.00 32.58 31.19 2jan s HIS 379 CO 0.80 -0.16 0.00 0.39 -0.85 0.00 0.00 174.74 174.93 2jan n GLU 380 N -0.96 0.00 0.00 1.40 1.02 -1.26 -3.84 120.64 117.00 2jan n GLU 380 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2jan n GLU 380 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 2jan n GLU 380 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jan n GLY 381 N 0.00 3.33 0.77 0.62 0.00 -1.26 -5.07 105.19 103.57 2jan n GLY 381 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2jan n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jan n GLY 382 N 0.00 -4.03 3.81 -0.02 0.00 -1.12 -4.96 105.19 98.86 2jan n GLY 382 Ca 0.00 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 2jan n GLY 382 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jan s VAL 383 N -1.43 3.88 -0.06 1.61 -7.23 -1.26 -4.67 120.40 111.24 2jan s VAL 383 Ca 0.00 0.96 0.06 0.00 -1.81 0.00 0.00 61.98 61.18 2jan s VAL 383 Cb 0.00 -3.43 -0.01 0.00 0.56 0.00 0.00 36.38 33.50 2jan s VAL 383 CO 0.00 -0.46 -0.24 -0.44 -0.31 0.00 0.00 175.10 173.64 2jan s SER 384 N -2.63 2.99 -0.37 4.85 0.01 0.78 -1.46 113.70 117.87 2jan s SER 384 Ca 0.64 -0.50 -0.06 0.00 1.31 0.00 0.00 55.95 57.34 2jan s SER 384 Cb -0.15 -0.87 0.06 0.00 0.21 0.00 0.00 66.02 65.27 2jan s SER 384 CO 0.32 0.23 0.15 -0.69 0.41 0.00 0.00 173.24 173.67 2jan s VAL 385 N -0.10 3.74 -1.04 3.43 1.01 -0.48 -1.10 120.40 125.86 2jan s VAL 385 Ca -0.05 -1.38 -0.00 0.00 0.00 0.00 0.00 61.98 60.54 2jan s VAL 385 Cb -0.14 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2jan s VAL 385 CO 0.04 -0.35 0.87 0.59 0.00 0.00 0.00 175.10 176.25 2jan n ASN 386 N 4.79 -2.25 -1.83 3.32 3.02 0.16 -2.89 115.26 119.58 2jan n ASN 386 Ca -0.10 -0.53 -0.20 0.00 -0.03 0.00 0.00 54.58 53.72 2jan n ASN 386 Cb 0.43 -4.46 -0.06 0.00 -0.61 0.00 0.00 39.78 35.09 2jan n ASN 386 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jan n ASN 387 N -2.80 -5.56 -4.18 6.41 3.02 -1.26 -4.98 115.26 105.91 2jan n ASN 387 Ca -0.23 0.31 -0.34 0.00 -0.03 0.00 0.00 54.58 54.28 2jan n ASN 387 Cb 0.64 -4.74 -0.15 0.00 -0.61 0.00 0.00 39.78 34.92 2jan n ASN 387 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jan s ILE 388 N -2.85 2.61 -0.39 2.41 1.01 -1.14 -5.05 121.20 117.81 2jan s ILE 388 Ca 0.00 -0.94 -0.28 0.00 0.00 0.00 0.00 60.65 59.43 2jan s ILE 388 Cb 0.00 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 2jan s ILE 388 CO 0.00 0.35 1.86 0.00 0.00 0.00 0.00 174.94 177.15 2jan s ARG 389 N 1.32 3.12 -0.17 2.79 1.04 -1.26 -1.38 118.95 124.40 2jan s ARG 389 Ca 0.02 1.29 -0.24 0.00 -1.04 0.00 0.00 55.73 55.77 2jan s ARG 389 Cb -0.15 -4.26 -0.02 0.00 -2.04 0.00 0.00 34.95 28.48 2jan s ARG 389 CO -0.07 -2.12 0.78 0.08 -0.04 0.00 0.00 175.30 173.93 2jan s VAL 390 N 7.68 4.92 -0.06 4.99 1.01 -0.54 -4.93 120.40 133.47 2jan s VAL 390 Ca 0.79 1.52 0.01 0.00 0.00 0.00 0.00 61.98 64.31 2jan s VAL 390 Cb -0.21 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 2jan s VAL 390 CO 0.31 0.05 0.06 0.47 0.00 0.00 0.00 175.10 175.99 2jan n ASP 391 N 5.16 1.05 -4.87 3.32 8.00 -1.26 -4.34 116.55 123.61 2jan n ASP 391 Ca 0.03 -0.42 -0.35 0.00 0.71 0.00 0.00 54.79 54.76 2jan n ASP 391 Cb 0.49 1.02 -0.05 0.00 -0.02 0.00 0.00 41.12 42.55 2jan n ASP 391 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2jan s ASN 392 N -1.36 6.58 -0.06 -2.24 3.84 -1.26 -4.94 114.94 115.50 2jan s ASN 392 Ca 0.00 0.69 -0.21 0.00 0.21 0.00 0.00 52.86 53.55 2jan s ASN 392 Cb 0.01 -2.14 -0.30 0.00 -0.55 0.00 0.00 41.25 38.27 2jan s ASN 392 CO 0.06 0.24 0.82 -0.08 -2.79 0.00 0.00 177.10 175.35 2jan h GLU 393 N 4.02 0.29 -0.54 0.43 4.81 -1.97 -3.25 114.58 118.36 2jan h GLU 393 Ca -0.50 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.24 2jan h GLU 393 Cb 1.20 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.76 2jan h GLU 393 CO 0.65 1.23 0.00 0.39 -0.73 0.00 0.00 179.01 180.56 2jan n GLU 394 N -4.09 1.40 -1.60 1.92 -0.58 -1.26 -4.44 120.64 111.99 2jan n GLU 394 Ca -0.16 -0.41 -0.56 0.00 -0.42 0.00 0.00 57.16 55.61 2jan n GLU 394 Cb 0.84 -1.36 -0.07 0.00 -0.57 0.00 0.00 31.44 30.28 2jan n GLU 394 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 2jan n TRP 395 N -0.05 1.40 -4.55 -0.32 -0.00 -1.23 -4.79 117.44 107.91 2jan n TRP 395 Ca 0.04 0.77 -0.31 0.00 -0.00 0.00 0.00 57.50 58.01 2jan n TRP 395 Cb 0.24 -2.28 -0.12 0.00 -0.00 0.00 0.00 31.31 29.15 2jan n TRP 395 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 2jan s VAL 396 N 1.12 2.95 -0.29 5.87 0.11 -1.26 -0.87 120.40 128.04 2jan s VAL 396 Ca 0.90 -1.18 -0.29 0.00 -2.93 0.00 0.00 61.98 58.48 2jan s VAL 396 Cb -1.11 -2.28 0.01 0.00 -1.53 0.00 0.00 36.38 31.48 2jan s VAL 396 CO 0.56 0.29 1.13 -2.16 -3.33 0.00 0.00 175.10 171.59 2jan s PRO 397 N -1.59 4.09 0.80 1.54 0.04 -1.26 -4.97 135.00 133.63 2jan s PRO 397 Ca 0.16 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 2jan s PRO 397 Cb -0.11 -3.75 0.07 0.00 0.04 0.00 0.00 34.50 30.75 2jan s PRO 397 CO 0.07 -0.88 1.10 1.14 0.04 0.00 0.00 177.00 178.47 2jan s GLN 398 N 3.66 2.06 0.21 4.56 -2.07 -1.26 -4.97 119.66 121.85 2jan s GLN 398 Ca 0.48 1.16 -0.09 0.00 -1.82 0.00 0.00 55.36 55.09 2jan s GLN 398 Cb -0.14 -1.87 0.15 0.00 -1.09 0.00 0.00 33.01 30.05 2jan s GLN 398 CO 0.15 -1.78 1.82 1.03 -1.32 0.00 0.00 175.29 175.20 2jan h SER 399 N -1.23 0.96 0.73 12.60 0.87 -1.98 -2.88 113.55 122.61 2jan h SER 399 Ca -0.44 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2jan h SER 399 Cb 1.24 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2jan h SER 399 CO 0.51 0.78 0.00 -1.54 -0.53 0.00 0.00 176.83 176.05 2jan n SER 400 N -4.44 0.20 -0.01 6.23 3.41 -1.26 -2.58 113.62 115.17 2jan n SER 400 Ca 0.07 0.54 -0.10 0.00 -0.26 0.00 0.00 58.87 59.12 2jan n SER 400 Cb 0.10 -0.59 0.04 0.00 -0.26 0.00 0.00 64.21 63.49 2jan n SER 400 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2jan h ASP 401 N 0.00 0.69 -2.14 4.04 5.19 -1.89 -3.45 116.42 118.86 2jan h ASP 401 Ca 0.00 -0.37 -0.60 0.00 -0.62 0.00 0.00 57.03 55.44 2jan h ASP 401 Cb 0.36 -0.20 0.03 0.00 0.18 0.00 0.00 39.33 39.70 2jan h ASP 401 CO 0.00 1.10 1.03 0.49 -3.12 0.00 0.00 179.24 178.74 2jan n PHE 402 N -3.97 2.34 -2.35 4.55 3.01 -1.07 -4.92 117.46 115.06 2jan n PHE 402 Ca -0.03 0.03 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 2jan n PHE 402 Cb 0.61 -2.65 -0.03 0.00 -0.01 0.00 0.00 39.48 37.40 2jan n PHE 402 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2jan s LEU 403 N 3.18 4.34 -1.10 4.37 1.02 0.12 -2.19 118.68 128.43 2jan s LEU 403 Ca 0.88 2.05 0.00 0.00 0.02 0.00 0.00 54.13 57.08 2jan s LEU 403 Cb -0.66 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 41.98 2jan s LEU 403 CO 0.47 -0.57 0.00 1.41 0.02 0.00 0.00 176.35 177.68 2jan n HIS 404 N 4.44 -1.36 -3.34 0.29 8.25 -1.26 -1.27 115.22 120.97 2jan n HIS 404 Ca 0.10 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.33 2jan n HIS 404 Cb 0.45 -2.80 0.01 0.00 1.12 0.00 0.00 29.99 28.77 2jan n HIS 404 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jan n GLY 405 N -0.79 -0.50 0.00 -1.41 0.00 -0.93 -4.80 105.19 96.77 2jan n GLY 405 Ca -0.15 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2jan n GLY 405 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jan n ARG 406 N -3.91 0.00 -5.11 1.61 1.74 -0.39 -4.93 116.66 105.66 2jan n ARG 406 Ca -0.03 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.73 2jan n ARG 406 Cb 0.56 -0.38 -0.16 0.00 -1.02 0.00 0.00 32.46 31.46 2jan n ARG 406 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jan s TRP 407 N -1.00 2.57 -0.10 -1.55 0.52 -0.46 -2.48 118.94 116.44 2jan s TRP 407 Ca 0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 56.10 55.41 2jan s TRP 407 Cb 0.00 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.62 2jan s TRP 407 CO 0.00 -0.20 -0.05 -0.51 0.02 0.00 0.00 176.95 176.21 2jan s LEU 408 N -0.04 3.24 -0.51 2.99 1.02 -0.65 0.13 118.68 124.85 2jan s LEU 408 Ca -0.06 -0.04 -0.14 0.00 0.02 0.00 0.00 54.13 53.91 2jan s LEU 408 Cb -0.15 -1.73 0.12 0.00 0.02 0.00 0.00 46.19 44.45 2jan s LEU 408 CO 0.05 0.30 0.44 -0.69 0.02 0.00 0.00 176.35 176.47 2jan s VAL 409 N -0.45 4.95 -0.06 -1.59 1.01 -1.26 -2.02 120.40 120.98 2jan s VAL 409 Ca 0.07 -1.49 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 2jan s VAL 409 Cb -0.12 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2jan s VAL 409 CO 0.02 -0.79 0.50 -0.76 0.00 0.00 0.00 175.10 174.07 2jan s LEU 410 N 1.55 4.36 -0.01 3.92 1.43 -0.36 0.39 118.68 129.95 2jan s LEU 410 Ca 0.04 0.94 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 2jan s LEU 410 Cb -0.28 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.21 2jan s LEU 410 CO 0.03 0.10 -0.02 -0.60 0.23 0.00 0.00 176.35 176.08 2jan s ARG 411 N 0.05 0.28 0.00 1.70 3.52 -0.26 -0.68 118.95 123.55 2jan s ARG 411 Ca 0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.82 2jan s ARG 411 Cb -0.16 -0.33 0.00 0.00 -1.56 0.00 0.00 34.95 32.90 2jan s ARG 411 CO 0.13 -0.00 0.00 -2.13 -0.81 0.00 0.00 175.30 172.49 2jan n ARG 412 N 3.39 0.00 0.00 5.12 0.63 -0.67 -0.15 116.66 124.98 2jan n ARG 412 Ca -0.18 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2jan n ARG 412 Cb 0.56 -0.65 0.00 0.00 0.45 0.00 0.00 32.46 32.81 2jan n ARG 412 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jan n GLY 413 N 1.84 0.90 1.33 5.14 0.00 -1.26 -4.35 105.19 108.78 2jan n GLY 413 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2jan n GLY 413 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jan n LYS 414 N 0.00 0.78 0.00 1.61 2.85 -1.26 -4.89 118.16 117.25 2jan n LYS 414 Ca 0.00 -2.62 0.00 0.00 -1.05 0.00 0.00 58.31 54.64 2jan n LYS 414 Cb 0.00 -0.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 2jan n LYS 414 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2jan n ARG 415 N -0.15 0.00 -3.19 -1.58 1.74 -1.26 -5.01 116.66 107.21 2jan n ARG 415 Ca 0.12 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.80 2jan n ARG 415 Cb 0.97 -0.14 -0.07 0.00 -1.02 0.00 0.00 32.46 32.20 2jan n ARG 415 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jan s SER 416 N -2.13 6.51 0.09 0.55 1.04 -1.26 -5.04 113.70 113.45 2jan s SER 416 Ca 0.00 0.62 0.04 0.00 0.48 0.00 0.00 55.95 57.10 2jan s SER 416 Cb 0.00 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 2jan s SER 416 CO 0.00 -0.30 -0.12 0.27 0.98 0.00 0.00 173.24 174.07 2jan s ILE 417 N 2.27 1.01 0.10 -1.02 -0.00 -1.26 -1.66 121.20 120.63 2jan s ILE 417 Ca 0.24 -1.49 -0.05 0.00 -0.00 0.00 0.00 60.65 59.35 2jan s ILE 417 Cb -0.16 -1.21 -0.02 0.00 -0.00 0.00 0.00 42.46 41.07 2jan s ILE 417 CO 0.09 -0.42 0.13 0.00 -0.00 0.00 0.00 174.94 174.74 2jan s ALA 418 N -1.92 0.22 0.06 2.27 0.00 0.14 -4.55 121.76 117.97 2jan s ALA 418 Ca 0.02 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.07 2jan s ALA 418 Cb -0.06 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 2jan s ALA 418 CO 0.01 -0.50 -0.20 0.20 0.00 0.00 0.00 175.76 175.27 2jan s GLY 419 N -2.93 1.56 -0.18 0.00 0.00 -1.20 -1.22 107.32 103.34 2jan s GLY 419 Ca 0.12 -1.24 -0.02 0.00 0.00 0.00 0.00 44.72 43.57 2jan s GLY 419 CO -0.06 -1.15 -0.08 0.14 0.00 0.00 0.00 173.10 171.95 2jan s VAL 420 N -0.94 3.21 -0.27 1.40 1.01 -0.86 0.75 120.40 124.70 2jan s VAL 420 Ca 0.14 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2jan s VAL 420 Cb -0.10 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.92 2jan s VAL 420 CO 0.05 0.47 -0.08 -0.70 0.00 0.00 0.00 175.10 174.85 2jan s GLU 421 N 0.99 2.25 -0.01 2.72 2.12 -0.57 -1.64 118.70 124.56 2jan s GLU 421 Ca -0.01 -1.36 -0.30 0.00 0.36 0.00 0.00 54.97 53.66 2jan s GLU 421 Cb -0.15 -2.97 -0.05 0.00 0.26 0.00 0.00 34.13 31.22 2jan s GLU 421 CO -0.01 -0.60 1.37 -0.98 -0.54 0.00 0.00 175.26 174.51 2jan s ARG 422 N 1.12 4.29 0.00 4.30 1.70 -1.04 -0.23 118.95 129.11 2jan s ARG 422 Ca -0.07 1.92 0.23 0.00 -0.47 0.00 0.00 55.73 57.34 2jan s ARG 422 Cb -0.20 -3.57 0.18 0.00 -0.57 0.00 0.00 34.95 30.80 2jan s ARG 422 CO -0.04 -0.55 1.22 -0.89 -1.08 0.00 0.00 175.30 173.96