#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 -0.03 9.51 4.07 -1.99 -1.98 115.31 124.89 2jan h LEU 6 Ca 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 2jan h LEU 6 Cb 0.00 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.75 2jan h LEU 6 CO 0.00 0.01 -0.46 0.44 -1.08 0.00 0.00 178.44 177.35 2jan h ASP 7 N 0.00 0.46 0.25 -0.43 3.32 -2.01 -2.79 116.42 115.22 2jan h ASP 7 Ca -0.00 -0.72 -0.00 0.00 0.02 0.00 0.00 57.03 56.32 2jan h ASP 7 Cb 0.16 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2jan h ASP 7 CO 0.00 1.11 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.98 2jan h GLU 8 N -0.16 -0.57 -0.81 3.56 4.39 -1.93 -1.62 114.58 117.44 2jan h GLU 8 Ca -0.05 0.04 0.24 0.00 0.34 0.00 0.00 59.36 59.93 2jan h GLU 8 Cb 1.16 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.90 2jan h GLU 8 CO 0.09 -0.38 0.59 -0.07 -1.16 0.00 0.00 179.01 178.08 2jan h LEU 9 N -0.59 0.00 0.07 1.33 3.38 -1.48 -1.67 115.31 116.34 2jan h LEU 9 Ca -0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 2jan h LEU 9 Cb 0.53 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.30 2jan h LEU 9 CO -0.08 0.00 -0.75 -1.28 0.09 0.00 0.00 178.44 176.42 2jan h SER 10 N 0.00 0.55 0.20 -0.43 0.87 -1.17 0.27 113.55 113.83 2jan h SER 10 Ca 0.39 -0.84 -0.12 0.00 -1.23 0.00 0.00 61.79 59.99 2jan h SER 10 Cb 1.56 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 2jan h SER 10 CO -0.00 1.33 -0.43 4.11 -0.53 0.00 0.00 176.83 181.30 2jan h TRP 11 N -0.16 0.35 0.00 2.24 5.08 -0.43 -2.61 115.95 120.42 2jan h TRP 11 Ca -0.11 -0.10 0.00 0.00 1.08 0.00 0.00 58.89 59.76 2jan h TRP 11 Cb 1.50 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 27.59 2jan h TRP 11 CO 0.16 0.68 0.00 0.54 -1.28 0.00 0.00 178.44 178.55 2jan n ARG 12 N -4.01 0.11 -1.73 0.12 1.74 -0.76 -4.89 116.66 107.24 2jan n ARG 12 Ca -0.02 0.29 -0.04 0.00 -0.77 0.00 0.00 57.85 57.31 2jan n ARG 12 Cb 0.50 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.25 2jan n ARG 12 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jan n GLY 13 N 0.34 0.38 0.11 -0.13 0.00 -0.92 -4.70 105.19 100.26 2jan n GLY 13 Ca 0.04 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.52 0.74 -4.40 0.99 4.77 0.89 -4.70 117.00 114.77 2jan n LEU 14 Ca -0.04 -0.13 -0.45 0.00 -0.03 0.00 0.00 56.01 55.36 2jan n LEU 14 Cb 0.39 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2jan n LEU 14 CO 0.06 0.16 0.70 -0.63 -1.33 0.00 0.00 177.39 176.34 2jan s ILE 15 N -2.78 4.99 0.03 -0.08 1.01 -1.24 -4.19 121.20 118.94 2jan s ILE 15 Ca 0.17 -1.68 -0.29 0.00 0.00 0.00 0.00 60.65 58.85 2jan s ILE 15 Cb 0.18 -4.63 -0.16 0.00 0.01 0.00 0.00 42.46 37.86 2jan s ILE 15 CO 0.63 -1.29 1.26 0.00 0.00 0.00 0.00 174.94 175.54 2jan h ALA 16 N 8.62 -0.89 -2.47 9.38 0.00 -1.35 -3.47 119.26 129.08 2jan h ALA 16 Ca 0.04 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2jan h ALA 16 Cb 1.04 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 19.04 2jan h ALA 16 CO 1.00 -0.89 -0.52 -1.14 0.00 0.00 0.00 179.25 177.71 2jan s GLN 17 N -5.03 0.93 -0.12 0.00 0.74 -1.19 -4.99 119.66 110.00 2jan s GLN 17 Ca -0.15 -1.26 -0.31 0.00 0.05 0.00 0.00 55.36 53.69 2jan s GLN 17 Cb 0.02 0.29 0.13 0.00 1.10 0.00 0.00 33.01 34.54 2jan s GLN 17 CO 0.50 -0.28 1.05 -1.54 -0.55 0.00 0.00 175.29 174.46 2jan s SER 18 N -2.98 -0.27 1.16 6.67 1.04 -1.26 -1.47 113.70 116.59 2jan s SER 18 Ca 0.16 0.09 -0.15 0.00 0.48 0.00 0.00 55.95 56.54 2jan s SER 18 Cb 0.06 0.27 0.22 0.00 0.10 0.00 0.00 66.02 66.66 2jan s SER 18 CO -0.03 -0.40 0.83 0.35 0.98 0.00 0.00 173.24 174.97 2jan n THR 19 N 0.07 0.00 -1.66 2.02 -2.24 -0.12 -4.84 114.28 107.50 2jan n THR 19 Ca -0.06 -0.40 -0.55 0.00 -2.27 0.00 0.00 64.05 60.77 2jan n THR 19 Cb 0.60 -1.23 -0.07 0.00 -2.10 0.00 0.00 70.33 67.53 2jan n THR 19 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jan n ASP 20 N -4.28 2.09 -0.00 3.42 2.03 -1.26 -4.84 116.55 113.71 2jan n ASP 20 Ca 0.11 1.09 -0.15 0.00 0.52 0.00 0.00 54.79 56.36 2jan n ASP 20 Cb 0.43 -1.16 -0.04 0.00 -0.72 0.00 0.00 41.12 39.63 2jan n ASP 20 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2jan h LEU 21 N 6.19 0.82 -0.20 -2.67 7.12 -1.98 -1.45 115.31 123.14 2jan h LEU 21 Ca -0.47 -0.54 -0.08 0.00 0.13 0.00 0.00 57.88 56.93 2jan h LEU 21 Cb 1.33 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.21 2jan h LEU 21 CO 0.89 1.32 -0.18 0.44 -0.13 0.00 0.00 178.44 180.77 2jan h ASP 22 N 0.47 0.51 -0.29 1.25 3.32 -1.99 0.36 116.42 120.05 2jan h ASP 22 Ca -0.04 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 2jan h ASP 22 Cb 1.37 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 2jan h ASP 22 CO 0.15 0.87 0.14 0.74 -1.72 0.00 0.00 179.24 179.42 2jan h THR 23 N 0.16 1.13 -0.00 0.35 2.02 -1.94 -0.57 112.91 114.06 2jan h THR 23 Ca 0.03 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2jan h THR 23 Cb 0.72 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2jan h THR 23 CO 0.05 0.16 -0.01 0.25 0.37 0.00 0.00 175.52 176.33 2jan h LEU 24 N 0.47 0.01 -0.62 2.58 5.85 -1.13 -2.50 115.31 119.98 2jan h LEU 24 Ca 0.12 -0.65 0.08 0.00 0.84 0.00 0.00 57.88 58.27 2jan h LEU 24 Cb 0.09 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 2jan h LEU 24 CO -0.01 0.66 0.28 0.00 -0.34 0.00 0.00 178.44 179.02 2jan h ALA 25 N 0.35 0.82 -0.72 1.25 0.00 -0.83 -0.36 119.26 119.77 2jan h ALA 25 Ca -0.00 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.10 2jan h ALA 25 Cb 0.66 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 2jan h ALA 25 CO 0.00 -0.12 0.26 0.00 0.00 0.00 0.00 179.25 179.39 2jan h ALA 26 N 1.39 0.98 -0.23 0.00 0.00 -1.13 -0.82 119.26 119.45 2jan h ALA 26 Ca 0.30 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 2jan h ALA 26 Cb 0.32 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jan h ALA 26 CO -0.26 -0.24 -0.21 1.49 0.00 0.00 0.00 179.25 180.04 2jan h GLU 27 N 0.39 0.41 0.55 0.00 4.57 -0.76 -2.87 114.58 116.86 2jan h GLU 27 Ca 0.39 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.41 2jan h GLU 27 Cb 0.59 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.16 2jan h GLU 27 CO -0.41 0.60 -0.26 0.00 -1.18 0.00 0.00 179.01 177.76 2jan h ALA 28 N 1.42 -0.73 -0.60 2.92 0.00 0.35 -3.08 119.26 119.54 2jan h ALA 28 Ca 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2jan h ALA 28 Cb 0.58 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2jan h ALA 28 CO 0.04 -0.81 0.25 -0.56 0.00 0.00 0.00 179.25 178.17 2jan h GLN 29 N -0.95 0.87 -1.17 0.00 3.07 -1.55 -2.82 115.11 112.57 2jan h GLN 29 Ca -0.07 -0.13 0.37 0.00 0.09 0.00 0.00 58.65 58.91 2jan h GLN 29 Cb 0.63 -0.15 -0.13 0.00 0.08 0.00 0.00 27.48 27.91 2jan h GLN 29 CO 0.12 0.71 0.73 -0.09 0.09 0.00 0.00 178.83 180.39 2jan h ARG 30 N 0.86 0.19 0.00 0.06 2.43 -1.41 -3.45 114.38 113.06 2jan h ARG 30 Ca 0.21 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2jan h ARG 30 Cb 0.16 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2jan h ARG 30 CO -0.02 0.13 0.00 0.41 -1.51 0.00 0.00 179.97 178.98 2jan n GLY 31 N -1.44 1.54 3.52 2.80 0.00 -1.06 -5.10 105.19 105.45 2jan n GLY 31 Ca 0.34 -1.07 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.81 1.25 -1.13 1.61 -0.04 -1.26 -4.63 135.00 129.99 2jan n PRO 32 Ca 0.00 0.26 -0.30 0.00 -0.04 0.00 0.00 63.50 63.42 2jan n PRO 32 Cb 0.00 -2.89 0.13 0.00 -0.04 0.00 0.00 33.50 30.70 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 7.05 1.40 -0.31 0.54 -1.94 -1.26 -4.81 119.30 119.98 2jan s MET 33 Ca 1.06 1.01 -0.04 0.00 -1.71 0.00 0.00 55.69 56.01 2jan s MET 33 Cb -0.55 -1.81 0.04 0.00 2.01 0.00 0.00 34.83 34.52 2jan s MET 33 CO 0.39 -2.19 0.04 0.99 -0.01 0.00 0.00 175.02 174.23 2jan s THR 34 N -2.87 3.42 -0.01 2.05 2.01 -1.26 -0.81 115.64 118.17 2jan s THR 34 Ca 0.63 -1.13 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 2jan s THR 34 Cb -0.19 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 2jan s THR 34 CO 0.57 -0.06 0.19 -0.69 -0.69 0.00 0.00 174.62 173.94 2jan s VAL 35 N 1.36 5.43 0.13 3.82 1.01 0.27 -2.44 120.40 129.98 2jan s VAL 35 Ca -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2jan s VAL 35 Cb -0.19 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2jan s VAL 35 CO 0.00 0.34 -0.07 -0.72 0.00 0.00 0.00 175.10 174.66 2jan s TYR 36 N -1.31 1.06 -0.10 5.22 -0.85 -0.39 0.15 117.35 121.14 2jan s TYR 36 Ca 0.27 -0.88 -0.08 0.00 -0.52 0.00 0.00 57.07 55.86 2jan s TYR 36 Cb -0.13 -0.59 0.03 0.00 0.38 0.00 0.00 41.96 41.66 2jan s TYR 36 CO 0.18 -0.08 0.26 0.00 -1.52 0.00 0.00 175.55 174.38 2jan s ALA 37 N -3.53 -0.63 0.35 9.51 0.00 -0.83 -0.44 121.76 126.19 2jan s ALA 37 Ca 0.15 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 2jan s ALA 37 Cb 0.05 -0.50 -0.07 0.00 0.00 0.00 0.00 23.12 22.60 2jan s ALA 37 CO -0.02 -0.15 0.71 0.20 0.00 0.00 0.00 175.76 176.51 2jan s GLY 38 N 0.49 2.06 -0.05 0.00 0.00 -1.26 -1.70 107.32 106.86 2jan s GLY 38 Ca -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.46 2jan s GLY 38 CO -0.03 -0.02 0.12 -1.36 0.00 0.00 0.00 173.10 171.81 2jan s PHE 39 N -2.19 -0.13 -0.32 1.90 0.40 -0.16 -4.89 117.98 112.60 2jan s PHE 39 Ca 0.51 0.36 -0.28 0.00 -0.60 0.00 0.00 56.93 56.91 2jan s PHE 39 Cb -0.10 -0.03 0.02 0.00 0.51 0.00 0.00 43.02 43.41 2jan s PHE 39 CO 0.27 -0.10 1.04 0.34 0.70 0.00 0.00 175.22 177.47 2jan s ASP 40 N 0.59 6.89 0.00 1.36 2.15 -1.26 -0.41 116.67 125.99 2jan s ASP 40 Ca -0.04 0.98 0.21 0.00 0.43 0.00 0.00 52.55 54.13 2jan s ASP 40 Cb -0.06 -2.53 0.81 0.00 -0.30 0.00 0.00 42.92 40.84 2jan s ASP 40 CO -0.03 -0.86 1.58 -0.81 -0.17 0.00 0.00 175.17 174.88 2jan n PRO 41 N 6.82 1.66 0.04 4.34 -0.04 -1.26 -3.98 135.00 142.57 2jan n PRO 41 Ca 0.11 -0.99 -0.02 0.00 -0.04 0.00 0.00 63.50 62.56 2jan n PRO 41 Cb 0.47 -1.39 0.24 0.00 -0.04 0.00 0.00 33.50 32.78 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 2.02 1.26 -4.01 0.52 1.35 -1.92 -3.45 112.91 108.69 2jan h THR 42 Ca 0.00 -1.21 -0.54 0.00 -0.55 0.00 0.00 66.41 64.10 2jan h THR 42 Cb 0.44 1.36 0.12 0.00 -1.73 0.00 0.00 68.15 68.35 2jan h THR 42 CO 0.00 0.38 0.67 0.00 -0.25 0.00 0.00 175.52 176.32 2jan s ALA 43 N -4.50 3.10 -0.85 6.62 0.00 -1.26 -4.93 121.76 119.95 2jan s ALA 43 Ca -0.06 1.41 0.26 0.00 0.00 0.00 0.00 51.96 53.57 2jan s ALA 43 Cb 0.14 -3.58 0.99 0.00 0.00 0.00 0.00 23.12 20.67 2jan s ALA 43 CO 0.78 -1.24 1.82 -0.35 0.00 0.00 0.00 175.76 176.76 2jan n PRO 44 N -0.47 0.13 -3.60 0.00 -0.04 -1.26 -4.88 135.00 124.88 2jan n PRO 44 Ca 0.07 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2jan n PRO 44 Cb 0.43 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 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 -3.76 -0.38 0.33 3.54 0.15 -1.26 -4.89 113.70 107.42 2jan s SER 45 Ca 0.11 -0.27 -0.26 0.00 0.70 0.00 0.00 55.95 56.24 2jan s SER 45 Cb 0.15 0.58 -0.10 0.00 -1.71 0.00 0.00 66.02 64.94 2jan s SER 45 CO 0.53 -1.01 0.94 -0.76 1.20 0.00 0.00 173.24 174.14 2jan s LEU 46 N -2.81 4.32 0.48 3.45 1.43 -1.26 -4.94 118.68 119.34 2jan s LEU 46 Ca 0.05 1.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.99 2jan s LEU 46 Cb -0.01 -4.04 -0.01 0.00 0.03 0.00 0.00 46.19 42.17 2jan s LEU 46 CO -0.08 -0.08 0.07 -1.38 0.23 0.00 0.00 176.35 175.11 2jan s HIS 47 N -1.64 1.78 0.50 0.29 -3.43 -1.26 -0.03 115.29 111.49 2jan s HIS 47 Ca 0.51 -1.17 0.37 0.00 -0.80 0.00 0.00 55.06 53.97 2jan s HIS 47 Cb -0.18 -1.37 1.53 0.00 -1.43 0.00 0.00 32.58 31.13 2jan s HIS 47 CO 0.23 -0.07 1.67 0.00 -2.00 0.00 0.00 174.74 174.57 2jan h ALA 48 N 1.50 3.15 0.00 -1.38 0.00 -1.03 0.11 119.26 121.61 2jan h ALA 48 Ca -0.39 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2jan h ALA 48 Cb 1.30 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2jan h ALA 48 CO 0.64 -1.66 0.00 0.78 0.00 0.00 0.00 179.25 179.00 2jan h GLY 49 N 0.07 0.00 0.57 0.00 0.00 -1.87 -2.31 103.07 99.52 2jan h GLY 49 Ca 0.77 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.10 2jan h GLY 49 CO -0.17 0.00 -0.15 1.42 0.00 0.00 0.00 176.54 177.64 2jan n HIS 50 N -2.85 0.00 -0.27 5.60 -0.00 0.37 -4.47 115.22 113.61 2jan n HIS 50 Ca 0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.66 2jan n HIS 50 Cb 0.27 -0.14 0.05 0.00 -0.00 0.00 0.00 29.99 30.17 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 0.91 1.06 0.31 2.41 3.38 -1.52 -2.03 115.31 119.84 2jan h LEU 51 Ca 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2jan h LEU 51 Cb 0.41 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2jan h LEU 51 CO 0.00 0.98 -0.15 0.58 0.09 0.00 0.00 178.44 179.95 2jan h VAL 52 N 1.08 0.14 -0.85 1.22 2.07 -1.80 0.95 116.25 119.06 2jan h VAL 52 Ca 0.24 -0.75 0.10 0.00 0.82 0.00 0.00 66.70 67.11 2jan h VAL 52 Cb 0.30 0.24 -0.12 0.00 -1.52 0.00 0.00 31.29 30.19 2jan h VAL 52 CO -0.01 0.04 -0.51 -0.65 0.02 0.00 0.00 177.57 176.46 2jan h PRO 53 N -1.08 -0.09 -0.65 1.57 0.11 -1.86 0.34 132.00 130.34 2jan h PRO 53 Ca -0.04 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.10 2jan h PRO 53 Cb 0.38 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.47 2jan h PRO 53 CO 0.07 -0.06 0.41 -0.07 -0.21 0.00 0.00 178.00 178.15 2jan h LEU 54 N -0.09 0.69 -0.92 2.35 3.38 -1.40 -0.13 115.31 119.20 2jan h LEU 54 Ca 0.20 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 2jan h LEU 54 Cb 0.50 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2jan h LEU 54 CO -0.87 0.48 -0.15 -0.07 0.09 0.00 0.00 178.44 177.93 2jan h LEU 55 N 0.82 0.62 -0.77 1.67 3.38 -0.30 -2.39 115.31 118.35 2jan h LEU 55 Ca 0.26 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2jan h LEU 55 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2jan h LEU 55 CO -0.09 0.79 -0.22 0.74 0.09 0.00 0.00 178.44 179.75 2jan h THR 56 N 0.57 1.27 -0.22 0.22 2.02 0.65 -0.81 112.91 116.62 2jan h THR 56 Ca 0.10 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.98 2jan h THR 56 Cb 0.58 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2jan h THR 56 CO 0.04 0.43 0.14 -0.07 0.37 0.00 0.00 175.52 176.43 2jan h LEU 57 N 0.61 0.24 -0.83 2.58 3.38 -0.86 -1.91 115.31 118.52 2jan h LEU 57 Ca 0.09 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.21 2jan h LEU 57 Cb 0.70 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.30 2jan h LEU 57 CO 0.05 0.17 0.39 -0.09 0.09 0.00 0.00 178.44 179.06 2jan h ARG 58 N 0.29 0.53 -0.88 1.13 2.43 -0.96 0.03 114.38 116.95 2jan h ARG 58 Ca 0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2jan h ARG 58 Cb -0.03 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 2jan h ARG 58 CO -0.02 0.35 0.47 0.00 -1.51 0.00 0.00 179.97 179.26 2jan h ARG 59 N 0.54 1.23 -0.22 0.20 3.08 -0.66 -0.81 114.38 117.74 2jan h ARG 59 Ca 0.46 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 60.26 2jan h ARG 59 Cb 0.69 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2jan h ARG 59 CO -0.39 0.90 -0.29 0.74 -1.07 0.00 0.00 179.97 179.85 2jan h PHE 60 N 1.23 0.49 -0.11 3.04 0.04 -0.28 -2.28 116.94 119.06 2jan h PHE 60 Ca 0.31 -0.11 -0.10 0.00 2.80 0.00 0.00 57.97 60.87 2jan h PHE 60 Cb 0.04 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.07 2jan h PHE 60 CO 0.01 0.69 -0.32 0.37 -0.60 0.00 0.00 178.31 178.45 2jan h GLN 61 N 0.38 0.42 -0.81 1.51 4.15 -0.57 0.11 115.11 120.30 2jan h GLN 61 Ca 0.05 -0.30 0.10 0.00 0.77 0.00 0.00 58.65 59.27 2jan h GLN 61 Cb 0.71 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.38 2jan h GLN 61 CO 0.05 0.92 0.46 0.00 -1.93 0.00 0.00 178.83 178.33 2jan h ARG 62 N -0.01 0.74 0.00 1.69 3.08 -1.18 0.43 114.38 119.13 2jan h ARG 62 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2jan h ARG 62 Cb 0.94 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2jan h ARG 62 CO 0.07 0.49 0.00 0.00 -1.07 0.00 0.00 179.97 179.46 2jan n ALA 63 N -2.38 2.13 0.00 0.04 0.00 -0.86 -4.87 120.51 114.56 2jan n ALA 63 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jan n ALA 63 Cb 0.29 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.08 0.90 3.98 0.00 0.00 0.15 -5.04 105.19 105.27 2jan n GLY 64 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 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 2.85 -0.18 1.61 3.76 0.35 -4.69 115.29 116.99 2jan s HIS 65 Ca 0.00 -0.14 -0.07 0.00 -0.15 0.00 0.00 55.06 54.71 2jan s HIS 65 Cb 0.00 -2.62 -0.04 0.00 1.11 0.00 0.00 32.58 31.03 2jan s HIS 65 CO 0.00 -0.72 0.05 0.50 -0.85 0.00 0.00 174.74 173.72 2jan s ARG 66 N -4.62 3.90 -0.10 1.40 3.52 0.01 -3.95 118.95 119.11 2jan s ARG 66 Ca 0.56 -0.38 -0.09 0.00 -0.13 0.00 0.00 55.73 55.69 2jan s ARG 66 Cb -0.10 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 2jan s ARG 66 CO 0.37 0.23 0.21 -1.25 -0.81 0.00 0.00 175.30 174.04 2jan s PRO 67 N 0.47 3.64 -0.10 5.12 0.04 -1.26 0.97 135.00 143.88 2jan s PRO 67 Ca 0.02 0.00 0.02 0.00 0.04 0.00 0.00 61.00 61.09 2jan s PRO 67 Cb -0.13 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 2jan s PRO 67 CO 0.01 0.70 -0.19 0.42 0.04 0.00 0.00 177.00 177.99 2jan s ILE 68 N -0.88 2.57 -0.39 0.56 1.01 0.12 -3.47 121.20 120.72 2jan s ILE 68 Ca 0.17 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 2jan s ILE 68 Cb -0.13 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.33 2jan s ILE 68 CO 0.06 0.55 0.31 -0.69 0.00 0.00 0.00 174.94 175.17 2jan s VAL 69 N 0.19 5.24 -0.44 2.92 1.01 -0.60 -1.96 120.40 126.75 2jan s VAL 69 Ca -0.11 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 2jan s VAL 69 Cb -0.16 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2jan s VAL 69 CO 0.06 -0.24 0.60 -0.22 0.00 0.00 0.00 175.10 175.31 2jan s LEU 70 N 1.77 4.59 -0.16 3.92 2.96 -0.69 -0.85 118.68 130.22 2jan s LEU 70 Ca 0.07 -0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 53.26 2jan s LEU 70 Cb -0.18 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 2jan s LEU 70 CO 0.11 -0.75 1.23 0.00 -1.32 0.00 0.00 176.35 175.62 2jan s ALA 71 N 2.69 3.65 -1.51 5.97 0.00 0.11 -0.99 121.76 131.69 2jan s ALA 71 Ca 0.20 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 2jan s ALA 71 Cb -0.15 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2jan s ALA 71 CO 0.18 -1.12 2.53 0.41 0.00 0.00 0.00 175.76 177.75 2jan n GLY 72 N 3.55 4.43 0.24 0.00 0.00 0.45 -1.71 105.19 112.16 2jan n GLY 72 Ca 0.13 -1.62 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 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 8.28 0.48 0.02 -0.02 0.00 -1.92 -2.81 103.07 107.10 2jan h GLY 73 Ca 0.70 -0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.72 2jan h GLY 73 CO 1.80 0.32 -0.40 0.00 0.00 0.00 0.00 176.54 178.27 2jan h ALA 74 N 1.41 -0.52 -0.50 3.60 0.00 -1.86 -1.03 119.26 120.36 2jan h ALA 74 Ca 0.07 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2jan h ALA 74 Cb 0.55 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2jan h ALA 74 CO 0.04 -0.89 -0.15 1.15 0.00 0.00 0.00 179.25 179.40 2jan h THR 75 N -0.45 1.27 -0.88 0.00 2.02 -1.96 -2.54 112.91 110.37 2jan h THR 75 Ca 0.09 -1.30 0.16 0.00 0.77 0.00 0.00 66.41 66.12 2jan h THR 75 Cb 0.60 1.06 -0.07 0.00 -1.74 0.00 0.00 68.15 68.01 2jan h THR 75 CO -0.40 0.45 0.57 1.23 0.37 0.00 0.00 175.52 177.74 2jan h GLY 76 N 0.84 1.10 2.00 2.16 0.00 -1.20 0.27 103.07 108.24 2jan h GLY 76 Ca 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2jan h GLY 76 CO 0.05 0.06 -0.12 1.98 0.00 0.00 0.00 176.54 178.52 2jan h MET 77 N 0.60 0.00 0.00 4.80 -1.53 -0.86 -3.33 114.93 114.61 2jan h MET 77 Ca 0.45 0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.61 2jan h MET 77 Cb 0.83 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.86 2jan h MET 77 CO -0.20 0.12 -0.55 0.82 0.14 0.00 0.00 176.91 177.24 2jan h ILE 78 N 0.00 1.18 0.00 1.77 2.04 -0.63 -3.51 117.51 118.36 2jan h ILE 78 Ca -0.00 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.77 2jan h ILE 78 Cb 1.04 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 2jan h ILE 78 CO 0.02 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.18 2jan n GLY 79 N 1.55 -1.01 0.00 5.37 0.00 0.77 -5.10 105.19 106.77 2jan n GLY 79 Ca -0.18 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2jan n GLY 79 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jan n ASP 80 N 0.19 0.52 0.00 1.61 -0.08 -1.26 -4.96 116.55 112.57 2jan n ASP 80 Ca 0.00 -0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 2jan n ASP 80 Cb 0.00 0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.68 2jan n ASP 80 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2jan n THR 94 N -0.28 0.00 0.27 5.18 -1.04 -1.26 -5.24 114.28 111.91 2jan n THR 94 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 2jan n THR 94 Cb 0.00 0.00 0.66 0.00 -1.82 0.00 0.00 70.33 69.17 2jan n THR 94 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2jan h VAL 95 N 0.00 0.07 0.00 12.58 2.07 -1.96 -1.92 116.25 127.09 2jan h VAL 95 Ca 0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2jan h VAL 95 Cb 0.00 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2jan h VAL 95 CO 0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.62 2jan n ALA 96 N -2.11 -0.01 -0.26 1.67 0.00 -1.26 -3.05 120.51 115.48 2jan n ALA 96 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2jan n ALA 96 Cb 0.32 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.03 2jan n ALA 96 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jan n GLU 97 N -1.90 -0.06 -0.02 0.00 1.02 -1.24 0.76 120.64 119.19 2jan n GLU 97 Ca 0.00 1.14 -0.11 0.00 -0.02 0.00 0.00 57.16 58.17 2jan n GLU 97 Cb 0.00 -1.85 -0.07 0.00 -0.02 0.00 0.00 31.44 29.49 2jan n GLU 97 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2jan h TRP 98 N 0.00 -1.21 -0.74 -0.32 7.01 -1.50 -3.22 115.95 115.96 2jan h TRP 98 Ca 0.50 0.05 0.15 0.00 2.11 0.00 0.00 58.89 61.70 2jan h TRP 98 Cb 1.09 0.55 -0.14 0.00 -2.10 0.00 0.00 29.16 28.56 2jan h TRP 98 CO -0.33 -0.40 -0.17 1.15 -2.79 0.00 0.00 178.44 175.91 2jan h THR 99 N -0.41 0.26 -0.05 2.65 2.02 0.42 -0.30 112.91 117.51 2jan h THR 99 Ca 0.03 -0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.24 2jan h THR 99 Cb 0.49 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 2jan h THR 99 CO -0.34 0.00 -0.24 -0.33 0.37 0.00 0.00 175.52 174.98 2jan h GLU 100 N 0.01 -0.34 -0.66 6.66 4.39 -1.55 0.62 114.58 123.71 2jan h GLU 100 Ca 0.36 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.05 2jan h GLU 100 Cb 0.56 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 2jan h GLU 100 CO -0.76 -0.22 0.27 -0.09 -1.16 0.00 0.00 179.01 177.05 2jan h ARG 101 N -0.35 0.98 0.05 2.33 2.43 -1.21 -3.16 114.38 115.45 2jan h ARG 101 Ca 0.08 -0.18 -0.25 0.00 -0.81 0.00 0.00 59.98 58.82 2jan h ARG 101 Cb 0.46 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2jan h ARG 101 CO -0.25 0.82 -1.07 0.82 -1.51 0.00 0.00 179.97 178.78 2jan h ILE 102 N 0.93 1.37 -1.01 1.20 1.08 -0.67 -3.34 117.51 117.07 2jan h ILE 102 Ca 0.22 -2.51 0.24 0.00 -0.39 0.00 0.00 64.86 62.42 2jan h ILE 102 Cb 0.20 2.55 -0.10 0.00 -3.07 0.00 0.00 36.82 36.40 2jan h ILE 102 CO -0.02 0.75 0.63 -0.09 -0.69 0.00 0.00 178.15 178.73 2jan h ARG 103 N 0.24 0.52 -0.54 2.37 2.43 0.27 0.67 114.38 120.33 2jan h ARG 103 Ca -0.12 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.07 2jan h ARG 103 Cb 1.73 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 31.11 2jan h ARG 103 CO 0.19 0.34 0.27 0.78 -1.51 0.00 0.00 179.97 180.04 2jan h GLY 104 N 0.54 0.77 0.45 2.80 0.00 -1.70 -1.80 103.07 104.12 2jan h GLY 104 Ca 0.59 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 2jan h GLY 104 CO -0.36 0.10 -0.16 1.46 0.00 0.00 0.00 176.54 177.58 2jan h GLN 105 N 0.51 -0.43 -0.97 4.80 4.20 0.05 -3.26 115.11 120.01 2jan h GLN 105 Ca 0.25 0.03 0.26 0.00 0.06 0.00 0.00 58.65 59.25 2jan h GLN 105 Cb 0.18 0.10 -0.13 0.00 0.30 0.00 0.00 27.48 27.93 2jan h GLN 105 CO -0.18 -0.14 0.53 -0.07 -0.67 0.00 0.00 178.83 178.29 2jan h LEU 106 N -1.01 0.53 -1.92 1.46 3.38 -1.07 -0.21 115.31 116.48 2jan h LEU 106 Ca -0.05 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2jan h LEU 106 Cb 0.49 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2jan h LEU 106 CO 0.08 0.01 -0.12 -0.33 0.09 0.00 0.00 178.44 178.16 2jan h GLU 107 N 0.46 0.00 0.00 1.13 5.08 -1.39 -1.51 114.58 118.35 2jan h GLU 107 Ca 0.65 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.99 2jan h GLU 107 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2jan h GLU 107 CO -0.53 0.12 -0.09 0.00 -1.00 0.00 0.00 179.01 177.51 2jan h ARG 108 N 0.00 0.00 0.00 2.33 2.47 -1.06 -3.34 114.38 114.78 2jan h ARG 108 Ca -0.00 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 2jan h ARG 108 Cb 0.27 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 2jan h ARG 108 CO 0.02 0.09 -1.20 1.19 0.56 0.00 0.00 179.97 180.62 2jan n PHE 109 N -4.19 0.36 -4.27 3.04 3.01 -0.69 -4.93 117.46 109.79 2jan n PHE 109 Ca -0.03 0.16 -0.23 0.00 1.01 0.00 0.00 57.45 58.36 2jan n PHE 109 Cb 0.17 -0.74 -0.07 0.00 -0.01 0.00 0.00 39.48 38.84 2jan n PHE 109 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2jan s VAL 110 N -2.60 3.58 -0.22 -4.37 -7.23 -0.65 -4.58 120.40 104.33 2jan s VAL 110 Ca -0.27 -1.84 -0.08 0.00 -1.81 0.00 0.00 61.98 57.97 2jan s VAL 110 Cb 0.06 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 2jan s VAL 110 CO 0.40 -0.37 0.10 -1.81 -0.31 0.00 0.00 175.10 173.11 2jan s ASP 111 N -3.69 5.63 -0.54 4.85 1.01 -1.26 -4.21 116.67 118.47 2jan s ASP 111 Ca 0.32 0.00 -0.16 0.00 0.71 0.00 0.00 52.55 53.41 2jan s ASP 111 Cb -0.07 -2.00 0.12 0.00 1.01 0.00 0.00 42.92 41.98 2jan s ASP 111 CO 0.21 0.07 0.52 -0.36 0.21 0.00 0.00 175.17 175.82 2jan s PHE 112 N 0.97 3.21 0.41 4.23 0.40 -1.26 0.16 117.98 126.10 2jan s PHE 112 Ca 0.05 -1.18 0.04 0.00 -0.60 0.00 0.00 56.93 55.23 2jan s PHE 112 Cb -0.14 -3.74 -0.04 0.00 0.51 0.00 0.00 43.02 39.61 2jan s PHE 112 CO 0.03 -1.03 0.06 0.16 0.70 0.00 0.00 175.22 175.15 2jan s ASP 113 N 3.45 3.09 -1.03 1.36 1.47 -1.26 -4.90 116.67 118.86 2jan s ASP 113 Ca 0.04 -1.54 -0.01 0.00 1.18 0.00 0.00 52.55 52.22 2jan s ASP 113 Cb -0.28 0.22 0.32 0.00 -0.34 0.00 0.00 42.92 42.83 2jan s ASP 113 CO 0.04 -0.75 1.82 0.47 0.68 0.00 0.00 175.17 177.42 2jan n ASP 114 N -1.06 7.33 -0.90 2.11 9.92 -1.26 -4.56 116.55 128.13 2jan n ASP 114 Ca -0.08 -3.68 0.00 0.00 -0.53 0.00 0.00 54.79 50.50 2jan n ASP 114 Cb 0.66 -1.17 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 2jan n ASP 114 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2jan n SER 115 N -0.03 0.00 0.08 -2.24 3.41 -1.26 -5.06 113.62 108.51 2jan n SER 115 Ca 0.46 -0.90 -0.08 0.00 -0.26 0.00 0.00 58.87 58.10 2jan n SER 115 Cb 0.26 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.25 2jan n SER 115 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2jan h PRO 116 N 0.00 0.27 -0.71 4.33 0.13 -2.02 -3.20 132.00 130.80 2jan h PRO 116 Ca 0.00 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2jan h PRO 116 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 2jan h PRO 116 CO 0.00 0.90 0.00 -1.33 -0.23 0.00 0.00 178.00 177.34 2jan n MET 117 N -3.77 2.74 -1.90 0.86 2.81 -1.26 -4.84 117.12 111.75 2jan n MET 117 Ca -0.03 -2.59 -0.38 0.00 -1.81 0.00 0.00 57.70 52.88 2jan n MET 117 Cb 0.72 -1.58 0.03 0.00 -0.71 0.00 0.00 33.22 31.68 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 -0.99 2.86 1.22 3.03 0.00 -1.21 -4.48 107.32 107.74 2jan s GLY 118 Ca 0.48 1.23 -0.17 0.00 0.00 0.00 0.00 44.72 46.26 2jan s GLY 118 CO 0.32 1.73 1.03 0.00 0.00 0.00 0.00 173.10 176.18 2jan s ALA 119 N -1.37 -0.03 -0.30 3.20 0.00 0.43 -4.63 121.76 119.06 2jan s ALA 119 Ca 0.70 -0.59 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 2jan s ALA 119 Cb -0.37 -3.04 0.18 0.00 0.00 0.00 0.00 23.12 19.89 2jan s ALA 119 CO 0.44 -3.82 1.18 -1.50 0.00 0.00 0.00 175.76 172.06 2jan s ILE 120 N -2.65 -0.18 -0.31 0.00 2.07 -1.23 -4.69 121.20 114.20 2jan s ILE 120 Ca 0.69 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.74 2jan s ILE 120 Cb -0.17 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.41 2jan s ILE 120 CO 0.59 0.00 0.55 -0.69 -1.91 0.00 0.00 174.94 173.48 2jan s VAL 121 N 2.48 5.00 0.29 4.00 1.01 -1.26 -1.56 120.40 130.36 2jan s VAL 121 Ca -0.02 0.64 0.06 0.00 0.00 0.00 0.00 61.98 62.66 2jan s VAL 121 Cb -0.05 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2jan s VAL 121 CO -0.13 -0.12 0.41 -1.61 0.00 0.00 0.00 175.10 173.65 2jan s GLU 122 N 2.45 3.25 -0.16 2.72 0.41 -0.03 -4.97 118.70 122.38 2jan s GLU 122 Ca 0.21 -0.91 -0.00 0.00 -0.41 0.00 0.00 54.97 53.87 2jan s GLU 122 Cb -0.15 -2.84 0.04 0.00 -1.78 0.00 0.00 34.13 29.40 2jan s GLU 122 CO 0.12 0.24 -0.07 1.21 -0.49 0.00 0.00 175.26 176.27 2jan s ASN 123 N -4.07 2.78 0.00 -0.19 2.47 -1.26 0.07 114.94 114.74 2jan s ASN 123 Ca 0.40 -0.61 0.13 0.00 0.42 0.00 0.00 52.86 53.19 2jan s ASN 123 Cb -0.09 -0.97 0.66 0.00 -1.45 0.00 0.00 41.25 39.40 2jan s ASN 123 CO 0.30 -0.16 1.29 -0.46 -3.72 0.00 0.00 177.10 174.36 2jan n ASN 124 N 4.85 0.00 0.25 -4.21 6.94 -0.69 -1.19 115.26 121.21 2jan n ASN 124 Ca -0.13 0.02 0.11 0.00 -0.02 0.00 0.00 54.58 54.56 2jan n ASN 124 Cb 0.48 -0.24 0.63 0.00 -2.36 0.00 0.00 39.78 38.29 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 -1.69 -4.53 3.38 -1.92 -1.33 115.31 109.23 2jan h LEU 125 Ca 0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 2jan h LEU 125 Cb 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2jan h LEU 125 CO 0.00 0.17 0.57 -0.33 0.09 0.00 0.00 178.44 178.94 2jan h GLU 126 N 0.00 0.26 0.00 1.13 4.39 -1.56 -0.95 114.58 117.85 2jan h GLU 126 Ca -0.00 -0.02 -0.26 0.00 0.34 0.00 0.00 59.36 59.43 2jan h GLU 126 Cb 0.46 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 2jan h GLU 126 CO 0.02 0.17 -1.92 -2.67 -1.16 0.00 0.00 179.01 173.46 2jan n TRP 127 N -4.44 0.00 0.03 4.33 2.14 -1.14 -4.73 117.44 113.64 2jan n TRP 127 Ca 0.18 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.73 2jan n TRP 127 Cb 0.73 -0.61 0.25 0.00 -0.81 0.00 0.00 31.31 30.88 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 -0.26 1.24 -0.59 -1.67 2.02 -1.26 -3.10 112.91 109.29 2jan h THR 128 Ca -0.38 -1.10 0.13 0.00 0.77 0.00 0.00 66.41 65.82 2jan h THR 128 Cb 1.47 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 69.11 2jan h THR 128 CO -0.14 0.35 0.41 1.23 0.37 0.00 0.00 175.52 177.74 2jan h GLY 129 N 0.95 0.40 -2.01 2.16 0.00 -1.36 -1.47 103.07 101.74 2jan h GLY 129 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2jan h GLY 129 CO 0.04 0.05 0.00 -1.14 0.00 0.00 0.00 176.54 175.49 2jan n SER 130 N -4.45 3.98 -4.63 0.19 3.41 -1.17 -4.97 113.62 105.99 2jan n SER 130 Ca 0.10 -2.60 -0.41 0.00 -0.26 0.00 0.00 58.87 55.71 2jan n SER 130 Cb 0.48 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 -2.09 4.06 0.57 1.04 2.96 -0.56 -5.05 118.68 119.62 2jan s LEU 131 Ca 0.40 0.73 -0.17 0.00 -0.22 0.00 0.00 54.13 54.88 2jan s LEU 131 Cb 0.28 -2.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 2jan s LEU 131 CO 0.15 -0.38 1.05 -0.94 -1.32 0.00 0.00 176.35 174.91 2jan s SER 132 N 1.46 5.91 0.22 3.68 1.04 -1.26 -4.91 113.70 119.85 2jan s SER 132 Ca 0.27 1.84 -0.11 0.00 0.48 0.00 0.00 55.95 58.43 2jan s SER 132 Cb -0.15 -2.54 0.31 0.00 0.10 0.00 0.00 66.02 63.73 2jan s SER 132 CO 0.08 -1.08 1.64 0.00 0.98 0.00 0.00 173.24 174.87 2jan h ALA 133 N 0.70 0.57 -0.55 5.32 0.00 -1.99 -1.52 119.26 121.79 2jan h ALA 133 Ca -0.47 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2jan h ALA 133 Cb 1.22 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 2jan h ALA 133 CO 0.58 -0.41 0.18 0.82 0.00 0.00 0.00 179.25 180.41 2jan h ILE 134 N 0.06 1.23 -0.11 0.00 2.04 -1.99 -0.90 117.51 117.85 2jan h ILE 134 Ca 0.34 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2jan h ILE 134 Cb 0.55 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2jan h ILE 134 CO -0.61 0.29 0.07 -0.33 0.00 0.00 0.00 178.15 177.57 2jan h GLU 135 N 0.76 0.14 -0.31 2.37 5.08 -1.87 -0.24 114.58 120.51 2jan h GLU 135 Ca 0.18 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 2jan h GLU 135 Cb 0.27 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 2jan h GLU 135 CO -0.01 0.09 -0.32 0.35 -1.00 0.00 0.00 179.01 178.13 2jan h PHE 136 N 0.14 -0.88 -0.17 4.33 3.57 -0.92 0.21 116.94 123.22 2jan h PHE 136 Ca 0.04 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 2jan h PHE 136 Cb -0.02 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2jan h PHE 136 CO -0.07 -0.38 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.18 2jan h LEU 137 N -0.29 0.39 0.00 0.59 3.38 -1.03 0.16 115.31 118.50 2jan h LEU 137 Ca 0.15 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2jan h LEU 137 Cb 0.53 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2jan h LEU 137 CO -0.47 0.73 -0.56 -0.09 0.09 0.00 0.00 178.44 178.14 2jan h ARG 138 N 0.31 0.00 0.00 1.13 2.43 -0.39 -3.09 114.38 114.78 2jan h ARG 138 Ca 0.03 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 2jan h ARG 138 Cb 0.80 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 2jan h ARG 138 CO 0.06 0.47 -1.42 -0.25 -1.51 0.00 0.00 179.97 177.32 2jan n ASP 139 N -4.59 0.74 -0.08 -3.80 8.00 0.67 -3.81 116.55 113.68 2jan n ASP 139 Ca -0.14 0.31 -0.08 0.00 0.71 0.00 0.00 54.79 55.60 2jan n ASP 139 Cb 0.38 0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 2jan n ASP 139 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2jan n ILE 140 N -2.78 1.30 0.18 0.53 5.41 -1.06 -4.72 119.36 118.22 2jan n ILE 140 Ca -0.08 0.19 0.18 0.00 1.00 0.00 0.00 62.75 64.03 2jan n ILE 140 Cb 0.77 -2.23 0.81 0.00 -0.71 0.00 0.00 39.64 38.28 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 -0.86 0.00 2.00 7.39 0.00 -0.71 -2.01 103.07 108.89 2jan h GLY 141 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2jan h GLY 141 CO 0.00 0.00 -0.05 1.70 0.00 0.00 0.00 176.54 178.19 2jan h LYS 142 N 0.00 0.00 -0.40 4.80 1.63 -1.64 -2.50 116.57 118.46 2jan h LYS 142 Ca 0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 2jan h LYS 142 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2jan h LYS 142 CO -0.00 0.05 0.00 0.72 -3.45 0.00 0.00 179.45 176.77 2jan n HIS 143 N -3.17 0.53 -4.86 1.91 8.25 -0.75 -4.90 115.22 112.22 2jan n HIS 143 Ca 0.00 -0.25 -0.28 0.00 -0.26 0.00 0.00 57.72 56.93 2jan n HIS 143 Cb 0.33 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.54 1.92 -0.25 4.41 0.40 -0.94 -5.03 117.98 116.95 2jan s PHE 144 Ca 0.25 -0.73 -0.13 0.00 -0.60 0.00 0.00 56.93 55.72 2jan s PHE 144 Cb 0.13 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 2jan s PHE 144 CO 0.16 -0.32 0.26 0.45 0.70 0.00 0.00 175.22 176.47 2jan s SER 145 N 0.47 6.18 0.22 1.36 0.15 -1.26 -4.99 113.70 115.83 2jan s SER 145 Ca -0.15 0.20 -0.09 0.00 0.70 0.00 0.00 55.95 56.61 2jan s SER 145 Cb -0.16 -2.16 0.34 0.00 -1.71 0.00 0.00 66.02 62.34 2jan s SER 145 CO 0.06 -0.04 1.68 0.58 1.20 0.00 0.00 173.24 176.72 2jan h VAL 146 N 5.19 0.55 -0.19 4.45 2.07 -1.99 -1.84 116.25 124.49 2jan h VAL 146 Ca -0.35 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.14 2jan h VAL 146 Cb 1.17 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2jan h VAL 146 CO 0.64 0.04 -0.09 0.78 0.02 0.00 0.00 177.57 178.96 2jan h ASN 147 N 0.21 -0.30 -0.41 0.57 2.35 -1.98 -0.41 115.58 115.61 2jan h ASN 147 Ca 0.35 0.08 0.05 0.00 -0.55 0.00 0.00 56.30 56.22 2jan h ASN 147 Cb 0.56 0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.05 2jan h ASN 147 CO -0.48 -0.12 0.15 0.58 -1.65 0.00 0.00 177.43 175.92 2jan h VAL 148 N -0.06 0.89 0.45 2.81 2.07 -1.76 0.20 116.25 120.85 2jan h VAL 148 Ca 0.11 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2jan h VAL 148 Cb 0.22 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2jan h VAL 148 CO -0.24 0.06 -0.32 0.24 0.02 0.00 0.00 177.57 177.33 2jan h MET 149 N 0.32 -0.72 -0.97 1.57 2.86 -0.90 -1.45 114.93 115.64 2jan h MET 149 Ca 0.19 0.05 0.19 0.00 -2.06 0.00 0.00 59.70 58.06 2jan h MET 149 Cb 0.16 0.16 -0.09 0.00 0.06 0.00 0.00 31.60 31.89 2jan h MET 149 CO -0.18 -0.48 0.61 -0.07 1.06 0.00 0.00 176.91 177.85 2jan h LEU 150 N -0.75 0.66 -5.43 1.22 3.38 -0.98 -3.34 115.31 110.07 2jan h LEU 150 Ca -0.05 0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 2jan h LEU 150 Cb 0.63 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2jan h LEU 150 CO 0.02 0.26 1.54 0.00 0.09 0.00 0.00 178.44 180.36 2jan n ALA 151 N -2.40 3.09 -3.63 1.53 0.00 0.71 -4.20 120.51 115.61 2jan n ALA 151 Ca 0.21 -1.04 -0.11 0.00 0.00 0.00 0.00 53.44 52.51 2jan n ALA 151 Cb 0.60 -2.67 -0.10 0.00 0.00 0.00 0.00 19.45 17.27 2jan n ALA 151 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jan s ARG 152 N 3.66 0.43 0.40 0.00 0.52 -1.26 -4.97 118.95 117.74 2jan s ARG 152 Ca 0.23 0.78 0.10 0.00 -0.52 0.00 0.00 55.73 56.31 2jan s ARG 152 Cb 0.07 0.03 0.90 0.00 0.52 0.00 0.00 34.95 36.47 2jan s ARG 152 CO -0.02 -0.14 1.99 -0.44 0.02 0.00 0.00 175.30 176.71 2jan h ASP 153 N 6.83 0.49 0.92 0.23 5.19 -1.95 0.47 116.42 128.60 2jan h ASP 153 Ca -0.35 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.02 2jan h ASP 153 Cb 1.18 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.60 2jan h ASP 153 CO 0.28 0.31 -0.49 0.74 -3.12 0.00 0.00 179.24 176.96 2jan h THR 154 N 0.56 0.01 -0.19 0.35 2.02 -1.96 0.41 112.91 114.10 2jan h THR 154 Ca 0.27 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.28 2jan h THR 154 Cb 0.33 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2jan h THR 154 CO -0.08 0.00 -0.55 0.40 0.37 0.00 0.00 175.52 175.66 2jan h ILE 155 N -1.29 1.32 -0.41 3.11 2.04 -1.84 -2.38 117.51 118.06 2jan h ILE 155 Ca -0.12 -1.79 -0.03 0.00 1.00 0.00 0.00 64.86 63.91 2jan h ILE 155 Cb 1.01 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 2jan h ILE 155 CO 0.17 0.56 0.11 -0.09 0.00 0.00 0.00 178.15 178.90 2jan h ARG 156 N 0.43 0.61 0.02 2.37 2.43 -0.04 0.66 114.38 120.85 2jan h ARG 156 Ca 0.01 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2jan h ARG 156 Cb 1.09 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2jan h ARG 156 CO 0.10 0.55 -0.01 0.00 -1.51 0.00 0.00 179.97 179.10 2jan h ARG 157 N 0.59 -0.03 -0.56 0.20 3.08 -0.81 -1.25 114.38 115.60 2jan h ARG 157 Ca 0.14 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2jan h ARG 157 Cb 0.21 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 2jan h ARG 157 CO -0.00 0.30 0.28 0.00 -1.07 0.00 0.00 179.97 179.47 2jan h ARG 158 N -0.36 0.79 -0.56 0.04 3.08 -0.95 1.08 114.38 117.50 2jan h ARG 158 Ca -0.00 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 2jan h ARG 158 Cb 0.34 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2jan h ARG 158 CO 0.00 0.60 0.19 -0.07 -1.07 0.00 0.00 179.97 179.63 2jan h LEU 159 N 0.79 0.80 -0.33 3.04 3.38 0.33 -0.35 115.31 122.97 2jan h LEU 159 Ca 0.20 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 2jan h LEU 159 Cb 0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2jan h LEU 159 CO -0.03 0.78 -0.84 0.00 0.09 0.00 0.00 178.44 178.44 2jan h ALA 160 N 1.05 0.61 -3.00 1.53 0.00 -0.49 -3.39 119.26 115.57 2jan h ALA 160 Ca 0.18 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2jan h ALA 160 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jan h ALA 160 CO -0.01 1.02 0.00 0.41 0.00 0.00 0.00 179.25 180.67 2jan n GLY 161 N 0.87 0.82 0.06 0.00 0.00 0.37 -4.83 105.19 102.48 2jan n GLY 161 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 2jan n GLY 161 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jan n GLU 162 N 0.00 1.08 0.00 1.61 4.71 -1.21 -4.99 120.64 121.84 2jan n GLU 162 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 2jan n GLU 162 Cb 0.00 -1.16 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 2jan n GLU 162 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jan n GLY 163 N 0.69 -2.40 2.98 0.62 0.00 -0.15 -5.03 105.19 101.88 2jan n GLY 163 Ca 0.07 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.25 0.83 0.73 -0.61 2.07 -1.26 -4.79 121.20 114.92 2jan s ILE 164 Ca 0.00 -0.33 -0.11 0.00 -1.41 0.00 0.00 60.65 58.80 2jan s ILE 164 Cb 0.00 -0.77 0.03 0.00 0.13 0.00 0.00 42.46 41.84 2jan s ILE 164 CO 0.00 0.28 1.09 -0.94 -1.91 0.00 0.00 174.94 173.45 2jan s SER 165 N 0.58 5.19 0.45 4.50 1.04 -1.26 -4.90 113.70 119.31 2jan s SER 165 Ca -0.10 1.28 0.13 0.00 0.48 0.00 0.00 55.95 57.73 2jan s SER 165 Cb -0.13 -2.09 1.00 0.00 0.10 0.00 0.00 66.02 64.91 2jan s SER 165 CO 0.02 -1.52 2.02 0.22 0.98 0.00 0.00 173.24 174.96 2jan h TYR 166 N -0.78 0.12 -0.02 5.02 5.03 -2.01 -0.70 116.97 123.64 2jan h TYR 166 Ca -0.45 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 60.84 2jan h TYR 166 Cb 1.25 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 39.49 2jan h TYR 166 CO 0.52 0.20 -0.02 1.15 -1.32 0.00 0.00 178.16 178.68 2jan h THR 167 N 0.12 1.43 -0.71 1.81 2.02 -1.99 -2.48 112.91 113.10 2jan h THR 167 Ca 0.03 -1.30 0.12 0.00 0.77 0.00 0.00 66.41 66.03 2jan h THR 167 Cb 0.20 2.26 -0.05 0.00 -1.74 0.00 0.00 68.15 68.83 2jan h THR 167 CO 0.01 0.34 0.47 -0.33 0.37 0.00 0.00 175.52 176.39 2jan h GLU 168 N -0.48 0.48 0.00 6.66 5.08 -1.88 -0.97 114.58 123.47 2jan h GLU 168 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2jan h GLU 168 Cb 0.57 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2jan h GLU 168 CO 0.01 0.31 -0.05 0.35 -1.00 0.00 0.00 179.01 178.63 2jan h PHE 169 N 0.49 0.00 0.00 4.33 3.57 -0.98 -3.28 116.94 121.08 2jan h PHE 169 Ca 0.34 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.59 2jan h PHE 169 Cb 0.65 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 2jan h PHE 169 CO -0.00 0.05 -1.75 0.43 -2.23 0.00 0.00 178.31 174.81 2jan n SER 170 N -3.17 0.66 -0.18 0.41 7.64 -0.39 -4.27 113.62 114.32 2jan n SER 170 Ca 0.01 0.30 0.04 0.00 1.01 0.00 0.00 58.87 60.23 2jan n SER 170 Cb 0.34 0.31 0.09 0.00 -1.01 0.00 0.00 64.21 63.94 2jan n SER 170 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jan n TYR 171 N -2.90 0.22 -0.26 1.43 9.36 -1.08 0.73 117.16 124.66 2jan n TYR 171 Ca -0.17 0.62 0.07 0.00 3.32 0.00 0.00 57.90 61.74 2jan n TYR 171 Cb 0.98 -0.82 0.19 0.00 -0.63 0.00 0.00 39.34 39.06 2jan n TYR 171 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2jan h LEU 172 N 0.00 -0.23 -0.32 2.98 7.12 -1.81 0.92 115.31 123.97 2jan h LEU 172 Ca 0.26 0.19 -0.04 0.00 0.13 0.00 0.00 57.88 58.42 2jan h LEU 172 Cb 0.43 0.31 -0.01 0.00 -0.53 0.00 0.00 40.66 40.86 2jan h LEU 172 CO -0.52 -0.15 0.04 -0.07 -0.13 0.00 0.00 178.44 177.61 2jan h LEU 173 N 0.15 0.51 -0.38 2.25 4.07 0.02 -0.45 115.31 121.48 2jan h LEU 173 Ca 0.44 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2jan h LEU 173 Cb 0.79 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.38 2jan h LEU 173 CO -0.64 0.66 0.25 -0.07 -1.08 0.00 0.00 178.44 177.56 2jan h LEU 174 N 0.35 0.44 -0.98 1.67 3.38 -1.24 -0.88 115.31 118.05 2jan h LEU 174 Ca 0.09 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2jan h LEU 174 Cb 0.37 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2jan h LEU 174 CO 0.01 0.32 0.43 -0.61 0.09 0.00 0.00 178.44 178.68 2jan h GLN 175 N 0.52 1.15 0.10 1.13 5.75 -0.74 -0.89 115.11 122.11 2jan h GLN 175 Ca 0.14 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2jan h GLN 175 Cb -0.06 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.27 2jan h GLN 175 CO -0.03 0.85 -0.05 0.00 -2.65 0.00 0.00 178.83 176.96 2jan h ALA 176 N 1.32 -0.13 -0.85 3.38 0.00 -0.84 -3.00 119.26 119.16 2jan h ALA 176 Ca 0.29 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.23 2jan h ALA 176 Cb 0.05 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.79 2jan h ALA 176 CO -0.04 -0.47 0.42 -0.97 0.00 0.00 0.00 179.25 178.19 2jan h ASN 177 N -0.33 0.49 -0.87 0.00 -1.24 -0.79 -0.12 115.58 112.72 2jan h ASN 177 Ca -0.01 0.10 0.20 0.00 0.71 0.00 0.00 56.30 57.29 2jan h ASN 177 Cb 0.28 0.03 -0.12 0.00 0.73 0.00 0.00 38.32 39.24 2jan h ASN 177 CO 0.02 0.19 0.38 0.44 -1.29 0.00 0.00 177.43 177.17 2jan h ASP 178 N 0.58 0.34 -0.42 1.15 5.19 -1.03 0.54 116.42 122.79 2jan h ASP 178 Ca 0.47 0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.97 2jan h ASP 178 Cb 0.70 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.30 2jan h ASP 178 CO -0.38 0.04 0.07 0.22 -3.12 0.00 0.00 179.24 176.07 2jan h TYR 179 N 0.44 0.73 -0.61 4.55 5.03 -0.97 -0.15 116.97 125.99 2jan h TYR 179 Ca 0.52 -0.10 -0.01 0.00 2.58 0.00 0.00 58.73 61.73 2jan h TYR 179 Cb 0.93 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.98 2jan h TYR 179 CO -0.14 0.71 0.36 0.28 -1.32 0.00 0.00 178.16 178.05 2jan h VAL 180 N 0.54 1.18 -0.09 1.81 2.07 -1.04 -0.88 116.25 119.85 2jan h VAL 180 Ca 0.13 -0.42 -0.16 0.00 0.82 0.00 0.00 66.70 67.06 2jan h VAL 180 Cb 0.37 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2jan h VAL 180 CO 0.01 0.19 -0.64 -0.08 0.02 0.00 0.00 177.57 177.07 2jan h GLU 181 N 0.82 0.35 -0.04 1.57 4.57 -0.81 -2.02 114.58 119.02 2jan h GLU 181 Ca 0.22 -0.25 -0.17 0.00 -1.18 0.00 0.00 59.36 57.98 2jan h GLU 181 Cb -0.01 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2jan h GLU 181 CO -0.04 0.87 -0.72 -0.07 -1.18 0.00 0.00 179.01 177.88 2jan h LEU 182 N 0.26 0.28 -0.26 1.64 3.38 -0.84 -1.95 115.31 117.81 2jan h LEU 182 Ca -0.01 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2jan h LEU 182 Cb 1.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2jan h LEU 182 CO 0.11 0.90 -0.04 -0.74 0.09 0.00 0.00 178.44 178.76 2jan h HIS 183 N 0.16 0.54 0.25 1.13 2.76 -1.10 -0.14 115.15 118.75 2jan h HIS 183 Ca -0.02 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 2jan h HIS 183 Cb 1.27 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 30.08 2jan h HIS 183 CO 0.03 0.68 -0.22 -0.09 -1.30 0.00 0.00 177.93 177.02 2jan h ARG 184 N 0.25 -0.48 0.00 5.26 2.43 -1.39 -1.29 114.38 119.17 2jan h ARG 184 Ca 0.07 0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.11 2jan h ARG 184 Cb 0.49 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2jan h ARG 184 CO 0.02 -0.32 -0.75 0.00 -1.51 0.00 0.00 179.97 177.41 2jan h ARG 185 N -0.49 0.00 0.00 0.20 3.08 -1.35 -3.37 114.38 112.44 2jan h ARG 185 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2jan h ARG 185 Cb 0.45 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 2jan h ARG 185 CO -0.04 0.75 -0.55 0.72 -1.07 0.00 0.00 179.97 179.78 2jan n HIS 186 N -3.45 0.00 -2.05 3.04 8.25 -0.07 -5.00 115.22 115.94 2jan n HIS 186 Ca 0.00 -0.13 -0.18 0.00 -0.26 0.00 0.00 57.72 57.15 2jan n HIS 186 Cb 0.78 -0.07 -0.04 0.00 1.12 0.00 0.00 29.99 31.78 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 -0.01 0.41 3.74 -1.41 0.00 -0.49 -4.88 105.19 102.55 2jan n GLY 187 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 2.62 0.00 -3.89 0.00 -2.24 -1.02 -4.28 114.28 105.47 2jan n THR 189 Ca 0.05 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 2jan n THR 189 Cb 0.44 1.40 -0.15 0.00 -2.10 0.00 0.00 70.33 69.92 2jan n THR 189 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jan s LEU 190 N -0.25 1.60 -0.10 3.22 2.96 -1.20 -1.00 118.68 123.92 2jan s LEU 190 Ca 0.00 -0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2jan s LEU 190 Cb 0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.58 2jan s LEU 190 CO 0.00 -0.05 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.27 2jan s GLN 191 N 0.45 3.02 0.17 1.98 0.74 -1.07 -1.27 119.66 123.69 2jan s GLN 191 Ca -0.04 -0.69 0.07 0.00 0.05 0.00 0.00 55.36 54.76 2jan s GLN 191 Cb -0.06 -2.53 -0.04 0.00 1.10 0.00 0.00 33.01 31.48 2jan s GLN 191 CO -0.01 0.39 -0.02 0.96 -0.55 0.00 0.00 175.29 176.05 2jan s ILE 192 N -0.10 3.62 0.28 -2.34 -4.36 0.41 -2.28 121.20 116.43 2jan s ILE 192 Ca -0.02 -1.43 -0.19 0.00 -0.26 0.00 0.00 60.65 58.75 2jan s ILE 192 Cb -0.14 -2.80 0.06 0.00 1.25 0.00 0.00 42.46 40.83 2jan s ILE 192 CO 0.04 -0.08 0.88 -0.83 0.24 0.00 0.00 174.94 175.18 2jan s GLY 193 N -2.84 0.17 0.63 6.27 0.00 -1.20 -4.31 107.32 106.04 2jan s GLY 193 Ca 0.26 -0.47 -0.17 0.00 0.00 0.00 0.00 44.72 44.34 2jan s GLY 193 CO 0.18 0.61 1.17 -0.32 0.00 0.00 0.00 173.10 174.74 2jan s GLY 194 N -3.14 2.50 0.41 0.20 0.00 -1.26 -0.90 107.32 105.12 2jan s GLY 194 Ca 0.17 0.84 0.16 0.00 0.00 0.00 0.00 44.72 45.89 2jan s GLY 194 CO 0.08 1.22 1.86 0.00 0.00 0.00 0.00 173.10 176.27 2jan h ALA 195 N 0.47 2.15 0.00 3.20 0.00 0.09 0.16 119.26 125.34 2jan h ALA 195 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jan h ALA 195 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jan h ALA 195 CO 0.54 -0.43 0.00 0.38 0.00 0.00 0.00 179.25 179.74 2jan h ASP 196 N 0.44 0.00 -0.19 0.00 2.03 -1.91 -3.21 116.42 113.57 2jan h ASP 196 Ca 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 2jan h ASP 196 Cb 1.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.59 2jan h ASP 196 CO -0.18 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.03 2jan n GLN 197 N -2.39 1.52 0.22 4.15 1.13 0.05 -4.62 117.38 117.44 2jan n GLN 197 Ca 0.03 -0.80 -0.18 0.00 -1.94 0.00 0.00 57.00 54.12 2jan n GLN 197 Cb 0.31 -1.24 -0.10 0.00 0.11 0.00 0.00 30.24 29.32 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 1.39 -1.46 -0.95 1.08 2.91 -1.68 -1.79 115.95 115.45 2jan h TRP 198 Ca 0.00 0.02 0.27 0.00 1.13 0.00 0.00 58.89 60.31 2jan h TRP 198 Cb 0.31 0.59 -0.14 0.00 -0.51 0.00 0.00 29.16 29.41 2jan h TRP 198 CO 0.13 -0.64 0.44 0.78 -1.03 0.00 0.00 178.44 178.11 2jan h GLY 199 N -0.91 1.75 0.72 2.65 0.00 -1.90 0.42 103.07 105.81 2jan h GLY 199 Ca -0.04 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.17 2jan h GLY 199 CO -0.15 -0.39 0.32 3.43 0.00 0.00 0.00 176.54 179.74 2jan h ASN 200 N 0.33 0.47 0.06 0.19 2.35 -1.68 -2.10 115.58 115.20 2jan h ASN 200 Ca 0.64 0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 56.25 2jan h ASN 200 Cb 1.36 -0.07 0.02 0.00 0.05 0.00 0.00 38.32 39.68 2jan h ASN 200 CO -0.60 0.32 -0.69 0.40 -1.65 0.00 0.00 177.43 175.21 2jan h ILE 201 N 0.60 1.46 -0.17 2.81 2.04 0.15 -3.09 117.51 121.31 2jan h ILE 201 Ca 0.26 -2.27 -0.09 0.00 1.00 0.00 0.00 64.86 63.76 2jan h ILE 201 Cb 0.14 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 2jan h ILE 201 CO -0.16 0.65 -0.30 -0.29 0.00 0.00 0.00 178.15 178.05 2jan h ILE 202 N -0.22 1.27 -0.72 -0.67 6.09 -1.25 -1.49 117.51 120.53 2jan h ILE 202 Ca -0.10 -1.29 0.11 0.00 -1.37 0.00 0.00 64.86 62.20 2jan h ILE 202 Cb 1.45 1.47 -0.08 0.00 0.47 0.00 0.00 36.82 40.13 2jan h ILE 202 CO 0.13 0.40 0.33 0.00 -3.07 0.00 0.00 178.15 175.94 2jan h ALA 203 N 1.40 1.00 -0.40 0.18 0.00 -1.41 -0.81 119.26 119.21 2jan h ALA 203 Ca 0.04 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2jan h ALA 203 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2jan h ALA 203 CO 0.05 -0.11 -0.12 0.78 0.00 0.00 0.00 179.25 179.85 2jan h GLY 204 N 0.54 0.77 0.89 0.00 0.00 -1.21 -1.89 103.07 102.17 2jan h GLY 204 Ca 0.37 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 2jan h GLY 204 CO -0.31 0.53 0.06 -2.08 0.00 0.00 0.00 176.54 174.73 2jan h VAL 205 N 0.64 1.23 -0.21 4.60 2.07 -0.73 -1.98 116.25 121.87 2jan h VAL 205 Ca 0.11 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.85 2jan h VAL 205 Cb 0.58 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2jan h VAL 205 CO 0.04 0.26 0.12 0.03 0.02 0.00 0.00 177.57 178.04 2jan h ARG 206 N 0.33 0.25 -0.47 1.57 3.08 -1.03 -2.22 114.38 115.90 2jan h ARG 206 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2jan h ARG 206 Cb 0.33 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2jan h ARG 206 CO 0.00 0.17 0.30 1.25 -1.07 0.00 0.00 179.97 180.62 2jan h LEU 207 N 0.26 0.55 -0.43 3.04 5.85 -1.28 -1.96 115.31 121.34 2jan h LEU 207 Ca 0.08 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.83 2jan h LEU 207 Cb -0.01 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2jan h LEU 207 CO -0.03 0.42 0.12 0.58 -0.34 0.00 0.00 178.44 179.19 2jan h VAL 208 N 0.63 0.82 -0.48 1.05 2.07 -1.23 0.18 116.25 119.29 2jan h VAL 208 Ca 0.17 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.68 2jan h VAL 208 Cb -0.04 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 2jan h VAL 208 CO -0.03 0.05 0.08 -0.09 0.02 0.00 0.00 177.57 177.60 2jan h ARG 209 N 0.27 0.21 0.05 1.57 9.65 -0.87 -0.51 114.38 124.75 2jan h ARG 209 Ca 0.21 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.07 2jan h ARG 209 Cb 0.23 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 2jan h ARG 209 CO -0.24 0.14 -0.03 1.96 2.80 0.00 0.00 179.97 184.60 2jan h GLN 210 N 0.21 -0.07 0.00 0.20 4.20 -0.60 0.25 115.11 119.30 2jan h GLN 210 Ca 0.24 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.87 2jan h GLN 210 Cb 0.33 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2jan h GLN 210 CO -0.33 0.55 -0.41 0.87 -0.67 0.00 0.00 178.83 178.84 2jan h LYS 211 N -0.87 0.00 0.00 1.46 1.57 -0.73 -3.37 116.57 114.63 2jan h LYS 211 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2jan h LYS 211 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2jan h LYS 211 CO 0.01 0.41 0.00 1.28 -0.57 0.00 0.00 179.45 180.58 2jan n LEU 212 N -3.76 0.27 0.00 2.94 4.32 -0.22 -5.02 117.00 115.53 2jan n LEU 212 Ca -0.01 -0.50 0.00 0.00 -0.02 0.00 0.00 56.01 55.48 2jan n LEU 212 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 2jan n LEU 212 CO 0.38 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.23 2jan n GLY 213 N 0.46 1.96 3.84 -0.72 0.00 0.86 -4.96 105.19 106.63 2jan n GLY 213 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.14 3.01 -0.20 4.61 0.00 -1.25 -4.84 121.76 121.95 2jan s ALA 214 Ca 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.09 2jan s ALA 214 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2jan s ALA 214 CO 0.00 -0.39 0.05 0.99 0.00 0.00 0.00 175.76 176.42 2jan s THR 215 N -2.65 4.53 0.30 0.00 2.01 -1.26 -3.18 115.64 115.39 2jan s THR 215 Ca 0.59 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.53 2jan s THR 215 Cb -0.11 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 2jan s THR 215 CO 0.34 0.42 0.24 0.68 -0.69 0.00 0.00 174.62 175.61 2jan s VAL 216 N 0.81 0.03 0.19 3.82 -7.23 -1.26 -5.04 120.40 111.72 2jan s VAL 216 Ca 0.03 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.28 2jan s VAL 216 Cb -0.14 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2jan s VAL 216 CO 0.02 0.00 -0.16 -1.00 -0.31 0.00 0.00 175.10 173.66 2jan s HIS 217 N -3.61 1.74 0.03 2.82 3.76 -0.17 -4.94 115.29 114.91 2jan s HIS 217 Ca 0.40 -0.53 0.04 0.00 -0.15 0.00 0.00 55.06 54.81 2jan s HIS 217 Cb 0.04 -0.83 -0.02 0.00 1.11 0.00 0.00 32.58 32.88 2jan s HIS 217 CO 0.23 0.35 -0.12 0.00 -0.85 0.00 0.00 174.74 174.36 2jan s ALA 218 N -2.65 0.96 -0.23 -1.40 0.00 -1.26 -2.59 121.76 114.58 2jan s ALA 218 Ca 0.20 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 2jan s ALA 218 Cb -0.03 -0.15 0.12 0.00 0.00 0.00 0.00 23.12 23.07 2jan s ALA 218 CO 0.07 0.17 0.45 -1.17 0.00 0.00 0.00 175.76 175.28 2jan s LEU 219 N -0.95 -0.78 0.05 0.00 0.20 -0.97 -0.95 118.68 115.29 2jan s LEU 219 Ca 0.00 0.81 0.01 0.00 0.69 0.00 0.00 54.13 55.65 2jan s LEU 219 Cb -0.07 1.48 -0.04 0.00 -0.43 0.00 0.00 46.19 47.13 2jan s LEU 219 CO 0.01 -0.25 0.11 0.42 -0.29 0.00 0.00 176.35 176.35 2jan s THR 220 N 2.65 4.81 0.07 3.68 -4.23 -0.54 -3.26 115.64 118.83 2jan s THR 220 Ca 0.05 -0.57 0.04 0.00 -1.18 0.00 0.00 61.69 60.02 2jan s THR 220 Cb -0.13 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 2jan s THR 220 CO -0.15 0.19 0.03 0.68 -0.54 0.00 0.00 174.62 174.82 2jan s VAL 221 N -1.37 4.21 0.56 2.29 -7.23 -0.08 -1.00 120.40 117.79 2jan s VAL 221 Ca 0.29 -0.84 -0.19 0.00 -1.81 0.00 0.00 61.98 59.43 2jan s VAL 221 Cb -0.12 -2.99 -0.05 0.00 0.56 0.00 0.00 36.38 33.78 2jan s VAL 221 CO 0.21 0.17 1.15 -2.16 -0.31 0.00 0.00 175.10 174.17 2jan s PRO 222 N -2.18 3.24 0.30 4.82 0.04 -1.26 0.78 135.00 140.74 2jan s PRO 222 Ca 0.26 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 2jan s PRO 222 Cb -0.12 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 2jan s PRO 222 CO 0.18 -0.95 1.21 -0.51 0.04 0.00 0.00 177.00 176.97 2jan s LEU 223 N -3.89 4.48 -0.24 -3.56 1.02 -1.26 -4.68 118.68 110.56 2jan s LEU 223 Ca 0.74 2.48 -0.20 0.00 0.02 0.00 0.00 54.13 57.16 2jan s LEU 223 Cb -0.26 -3.64 -0.02 0.00 0.02 0.00 0.00 46.19 42.30 2jan s LEU 223 CO 0.29 -0.35 0.62 -0.69 0.02 0.00 0.00 176.35 176.24 2jan s VAL 224 N -1.07 5.00 -0.02 -1.59 1.01 -1.26 -5.04 120.40 117.43 2jan s VAL 224 Ca 0.47 1.14 0.01 0.00 0.00 0.00 0.00 61.98 63.60 2jan s VAL 224 Cb -0.36 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2jan s VAL 224 CO 0.47 0.06 -0.04 0.42 0.00 0.00 0.00 175.10 176.00 2jan s THR 225 N 2.31 0.36 0.79 3.92 -4.23 -1.26 -2.56 115.64 114.97 2jan s THR 225 Ca 0.27 -0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.54 2jan s THR 225 Cb -0.16 -0.35 0.06 0.00 1.34 0.00 0.00 72.50 73.40 2jan s THR 225 CO 0.09 0.14 1.08 0.00 -0.54 0.00 0.00 174.62 175.39 2jan s ALA 226 N 0.33 2.20 0.43 3.99 0.00 -0.68 -4.89 121.76 123.13 2jan s ALA 226 Ca -0.03 0.08 0.15 0.00 0.00 0.00 0.00 51.96 52.15 2jan s ALA 226 Cb -0.07 -3.21 1.04 0.00 0.00 0.00 0.00 23.12 20.89 2jan s ALA 226 CO -0.00 -1.76 1.96 0.00 0.00 0.00 0.00 175.76 175.95 2jan h ALA 227 N -1.12 2.06 0.00 0.00 0.00 -1.93 0.10 119.26 118.37 2jan h ALA 227 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jan h ALA 227 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2jan h ALA 227 CO 0.55 -0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.17 2jan n ASP 228 N -4.47 0.00 0.00 0.00 5.75 -1.26 -4.91 116.55 111.66 2jan n ASP 228 Ca 0.12 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 2jan n ASP 228 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 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 0.78 3.35 3.78 6.12 0.00 0.36 -5.05 105.19 114.52 2jan n GLY 229 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.61 3.29 -0.02 2.61 -4.23 -1.26 -4.69 115.64 108.73 2jan s THR 230 Ca 0.00 0.78 -0.22 0.00 -1.18 0.00 0.00 61.69 61.07 2jan s THR 230 Cb 0.00 -3.30 -0.05 0.00 1.34 0.00 0.00 72.50 70.49 2jan s THR 230 CO 0.00 -0.20 0.65 -0.75 -0.54 0.00 0.00 174.62 173.78 2jan s LYS 231 N -3.37 4.38 0.65 3.99 2.36 -1.26 -1.69 119.74 124.80 2jan s LYS 231 Ca 0.71 0.82 -0.17 0.00 -2.55 0.00 0.00 55.97 54.78 2jan s LYS 231 Cb -0.22 -3.38 -0.03 0.00 -1.05 0.00 0.00 37.83 33.15 2jan s LYS 231 CO 0.27 0.27 0.90 0.34 1.55 0.00 0.00 175.35 178.68 2jan n PHE 232 N 3.05 0.52 -0.99 4.03 7.35 -1.06 -3.46 117.46 126.91 2jan n PHE 232 Ca -0.05 0.41 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 2jan n PHE 232 Cb 0.51 -2.09 0.00 0.00 0.35 0.00 0.00 39.48 38.25 2jan n PHE 232 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jan n GLY 233 N 1.30 0.47 3.75 7.13 0.00 -1.26 -4.82 105.19 111.76 2jan n GLY 233 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.32 4.59 0.46 1.61 3.01 -1.22 -1.98 119.74 125.89 2jan s LYS 234 Ca 0.00 1.22 -0.02 0.00 -1.01 0.00 0.00 55.97 56.15 2jan s LYS 234 Cb 0.00 -3.34 0.10 0.00 -1.01 0.00 0.00 37.83 33.57 2jan s LYS 234 CO 0.00 0.33 0.64 -1.13 0.51 0.00 0.00 175.35 175.70 2jan n SER 235 N 2.49 0.65 -0.05 2.83 3.41 -0.21 -4.86 113.62 117.87 2jan n SER 235 Ca -0.02 -1.60 -0.10 0.00 -0.26 0.00 0.00 58.87 56.90 2jan n SER 235 Cb 0.49 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 2jan n SER 235 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2jan h THR 236 N -0.71 0.21 0.00 6.66 2.02 -1.95 -0.28 112.91 118.87 2jan h THR 236 Ca -0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2jan h THR 236 Cb 0.72 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2jan h THR 236 CO 0.20 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.70 2jan n GLY 237 N -1.42 -0.74 2.16 2.16 0.00 -1.26 -4.84 105.19 101.26 2jan n GLY 237 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 2jan n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jan n GLY 238 N 0.31 0.67 0.00 -0.02 0.00 -0.11 -5.04 105.19 100.99 2jan n GLY 238 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.33 0.55 3.92 -0.02 0.00 -1.26 -4.68 105.19 101.38 2jan n GLY 239 Ca -0.04 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 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 6.41 -0.78 1.61 0.01 -1.26 -1.05 113.70 117.63 2jan s SER 240 Ca 0.00 0.47 -0.20 0.00 1.31 0.00 0.00 55.95 57.53 2jan s SER 240 Cb 0.00 -2.04 0.11 0.00 0.21 0.00 0.00 66.02 64.30 2jan s SER 240 CO 0.00 -0.04 0.99 -0.76 0.41 0.00 0.00 173.24 173.84 2jan s LEU 241 N -3.22 4.97 0.13 2.44 1.43 -0.84 -4.57 118.68 119.03 2jan s LEU 241 Ca 0.39 -1.64 -0.29 0.00 -1.03 0.00 0.00 54.13 51.57 2jan s LEU 241 Cb -0.11 -2.38 -0.07 0.00 0.03 0.00 0.00 46.19 43.66 2jan s LEU 241 CO 0.28 -1.17 0.92 0.26 0.23 0.00 0.00 176.35 176.87 2jan s TRP 242 N 3.02 3.85 0.43 0.29 0.52 -1.26 -0.43 118.94 125.34 2jan s TRP 242 Ca 0.25 1.77 0.11 0.00 0.02 0.00 0.00 56.10 58.25 2jan s TRP 242 Cb -0.12 -2.99 0.92 0.00 -1.15 0.00 0.00 33.47 30.13 2jan s TRP 242 CO -0.01 0.29 2.00 -0.07 0.02 0.00 0.00 176.95 179.18 2jan h LEU 243 N 5.20 0.19 -9.52 2.99 3.38 -0.78 -3.37 115.31 113.41 2jan h LEU 243 Ca -0.44 -0.03 -0.53 0.00 0.09 0.00 0.00 57.88 56.98 2jan h LEU 243 Cb 1.21 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 41.94 2jan h LEU 243 CO 0.70 0.27 0.98 -0.62 0.09 0.00 0.00 178.44 179.86 2jan s ASP 244 N -6.90 6.56 0.27 -0.43 -1.08 -1.26 -4.91 116.67 108.92 2jan s ASP 244 Ca -0.06 2.58 -0.01 0.00 -0.52 0.00 0.00 52.55 54.54 2jan s ASP 244 Cb 0.16 -2.57 0.38 0.00 -1.46 0.00 0.00 42.92 39.43 2jan s ASP 244 CO 0.71 -0.89 1.80 1.55 0.52 0.00 0.00 175.17 178.87 2jan h PRO 245 N 7.82 0.80 0.00 4.34 0.13 -1.84 -1.04 132.00 142.21 2jan h PRO 245 Ca -0.43 -0.18 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 2jan h PRO 245 Cb 1.20 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2jan h PRO 245 CO 0.93 0.76 -0.03 1.96 -0.23 0.00 0.00 178.00 181.39 2jan h GLN 246 N 0.76 0.00 0.01 0.86 7.50 -1.95 -2.96 115.11 119.33 2jan h GLN 246 Ca 0.16 0.00 -0.41 0.00 0.50 0.00 0.00 58.65 58.90 2jan h GLN 246 Cb 0.35 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.82 2jan h GLN 246 CO 0.01 0.03 -2.40 -1.33 -1.50 0.00 0.00 178.83 173.63 2jan n MET 247 N -3.19 0.64 -3.88 1.46 2.81 -0.91 -4.85 117.12 109.20 2jan n MET 247 Ca -0.01 0.22 -0.29 0.00 -1.81 0.00 0.00 57.70 55.80 2jan n MET 247 Cb 0.21 -1.54 -0.16 0.00 -0.71 0.00 0.00 33.22 31.02 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 1.20 0.57 2.03 2.01 -0.44 -4.89 115.64 113.60 2jan s THR 248 Ca -0.35 -0.97 -0.21 0.00 0.31 0.00 0.00 61.69 60.48 2jan s THR 248 Cb 0.11 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2jan s THR 248 CO 0.58 -0.11 1.35 -0.94 -0.69 0.00 0.00 174.62 174.81 2jan s SER 249 N 1.55 5.13 0.38 3.53 1.04 -1.12 -4.09 113.70 120.12 2jan s SER 249 Ca -0.04 2.74 0.21 0.00 0.48 0.00 0.00 55.95 59.34 2jan s SER 249 Cb -0.18 -2.63 1.27 0.00 0.10 0.00 0.00 66.02 64.58 2jan s SER 249 CO -0.07 -1.66 1.63 -0.65 0.98 0.00 0.00 173.24 173.47 2jan h PRO 250 N 1.27 0.15 -0.05 4.02 0.11 -1.93 0.15 132.00 135.73 2jan h PRO 250 Ca -0.51 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2jan h PRO 250 Cb 1.31 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jan h PRO 250 CO 0.56 0.10 0.01 -0.92 -0.21 0.00 0.00 178.00 177.54 2jan h TYR 251 N 0.15 0.09 -0.99 0.65 3.20 -1.94 0.20 116.97 118.33 2jan h TYR 251 Ca 0.79 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.77 2jan h TYR 251 Cb 2.11 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 40.28 2jan h TYR 251 CO -0.01 0.31 0.63 0.00 -1.64 0.00 0.00 178.16 177.45 2jan h ALA 252 N 0.77 1.53 0.55 1.82 0.00 -1.51 0.22 119.26 122.64 2jan h ALA 252 Ca 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jan h ALA 252 Cb 0.27 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jan h ALA 252 CO 0.00 0.23 -0.26 2.35 0.00 0.00 0.00 179.25 181.57 2jan h TRP 253 N 0.99 -0.68 -0.18 0.00 2.91 -0.40 -2.23 115.95 116.36 2jan h TRP 253 Ca 0.49 -0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.54 2jan h TRP 253 Cb 0.47 0.23 -0.06 0.00 -0.51 0.00 0.00 29.16 29.28 2jan h TRP 253 CO -0.00 -0.35 -0.21 -0.92 -1.03 0.00 0.00 178.44 175.92 2jan h TYR 254 N -0.96 -0.56 -0.65 2.65 3.20 -0.38 -2.48 116.97 117.80 2jan h TYR 254 Ca -0.08 0.03 0.13 0.00 3.14 0.00 0.00 58.73 61.95 2jan h TYR 254 Cb 0.63 0.28 -0.12 0.00 1.54 0.00 0.00 36.73 39.05 2jan h TYR 254 CO 0.00 -0.29 -0.20 0.37 -1.64 0.00 0.00 178.16 176.40 2jan h GLN 255 N -0.24 -0.03 -0.20 1.82 4.15 -0.57 -1.61 115.11 118.42 2jan h GLN 255 Ca 0.12 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.59 2jan h GLN 255 Cb 0.42 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.06 2jan h GLN 255 CO -0.33 -0.02 -0.21 -0.92 -1.93 0.00 0.00 178.83 175.43 2jan h TYR 256 N -0.03 -0.54 -0.08 3.99 5.03 -0.91 -1.49 116.97 122.94 2jan h TYR 256 Ca 0.30 0.03 -0.17 0.00 2.58 0.00 0.00 58.73 61.47 2jan h TYR 256 Cb 0.50 0.27 -0.01 0.00 1.55 0.00 0.00 36.73 39.04 2jan h TYR 256 CO -0.55 -0.28 -0.69 0.74 -1.32 0.00 0.00 178.16 176.05 2jan h PHE 257 N -0.22 0.49 0.00 -3.82 0.04 -1.43 -2.95 116.94 109.04 2jan h PHE 257 Ca 0.12 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.69 2jan h PHE 257 Cb 0.41 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.48 2jan h PHE 257 CO -0.35 0.94 0.00 -0.24 -0.60 0.00 0.00 178.31 178.06 2jan h VAL 258 N 0.26 0.00 -0.63 -0.55 3.04 -0.87 -1.90 116.25 115.60 2jan h VAL 258 Ca -0.02 -0.36 -0.10 0.00 -1.01 0.00 0.00 66.70 65.21 2jan h VAL 258 Cb 1.25 1.30 -0.06 0.00 -2.01 0.00 0.00 31.29 31.77 2jan h VAL 258 CO 0.12 0.00 0.12 0.59 -1.01 0.00 0.00 177.57 177.39 2jan n ASN 259 N -2.95 5.20 -4.76 3.17 5.03 -0.60 -4.79 115.26 115.57 2jan n ASN 259 Ca -0.00 -3.09 -0.41 0.00 0.87 0.00 0.00 54.58 51.95 2jan n ASN 259 Cb 0.24 -0.71 -0.01 0.00 -1.02 0.00 0.00 39.78 38.28 2jan n ASN 259 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2jan s THR 260 N -2.89 2.09 0.77 3.41 2.01 -0.71 -4.99 115.64 115.33 2jan s THR 260 Ca 0.54 0.08 -0.14 0.00 0.31 0.00 0.00 61.69 62.48 2jan s THR 260 Cb 0.42 -3.05 0.06 0.00 0.01 0.00 0.00 72.50 69.95 2jan s THR 260 CO 0.14 0.01 1.22 0.00 -0.69 0.00 0.00 174.62 175.31 2jan s ALA 261 N -0.30 1.95 0.23 7.40 0.00 -1.26 -4.85 121.76 124.93 2jan s ALA 261 Ca 0.60 0.90 -0.06 0.00 0.00 0.00 0.00 51.96 53.41 2jan s ALA 261 Cb -0.47 -3.50 0.22 0.00 0.00 0.00 0.00 23.12 19.37 2jan s ALA 261 CO 0.52 -2.14 1.77 -0.44 0.00 0.00 0.00 175.76 175.46 2jan h ASP 262 N -0.62 1.00 -1.01 0.00 3.32 -1.99 -2.48 116.42 114.64 2jan h ASP 262 Ca -0.47 -0.18 0.29 0.00 0.02 0.00 0.00 57.03 56.69 2jan h ASP 262 Cb 1.30 -0.26 -0.14 0.00 0.22 0.00 0.00 39.33 40.45 2jan h ASP 262 CO 0.48 0.93 0.59 0.00 -1.72 0.00 0.00 179.24 179.52 2jan h ALA 263 N 1.20 1.92 0.00 3.45 0.00 -2.02 -3.12 119.26 120.70 2jan h ALA 263 Ca 0.22 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2jan h ALA 263 Cb 0.30 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jan h ALA 263 CO -0.01 -0.48 -1.25 -0.25 0.00 0.00 0.00 179.25 177.27 2jan n ASP 264 N -4.96 1.12 -0.25 0.00 8.00 -1.05 -4.75 116.55 114.65 2jan n ASP 264 Ca 0.30 -0.39 -0.03 0.00 0.71 0.00 0.00 54.79 55.38 2jan n ASP 264 Cb 0.90 1.38 0.14 0.00 -0.02 0.00 0.00 41.12 43.52 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 1.24 -0.09 2.53 3.04 -1.38 -0.14 116.25 121.44 2jan h VAL 265 Ca 0.00 -0.68 -0.12 0.00 -1.01 0.00 0.00 66.70 64.89 2jan h VAL 265 Cb 0.54 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 2jan h VAL 265 CO 0.00 0.29 -0.40 0.40 -1.01 0.00 0.00 177.57 176.85 2jan h ILE 266 N 1.09 1.39 -0.25 3.17 1.08 -1.85 -0.94 117.51 121.20 2jan h ILE 266 Ca 0.26 -1.75 0.06 0.00 -0.39 0.00 0.00 64.86 63.04 2jan h ILE 266 Cb 0.11 2.22 -0.06 0.00 -3.07 0.00 0.00 36.82 36.03 2jan h ILE 266 CO -0.03 0.52 -0.13 -0.09 -0.69 0.00 0.00 178.15 177.72 2jan h ARG 267 N 0.00 -0.11 -0.30 2.37 2.43 -1.78 0.50 114.38 117.49 2jan h ARG 267 Ca -0.02 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2jan h ARG 267 Cb 1.04 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 2jan h ARG 267 CO 0.08 -0.07 -0.03 1.88 -1.51 0.00 0.00 179.97 180.33 2jan h TYR 268 N -0.11 -0.07 -0.32 2.20 -1.99 -1.04 -0.92 116.97 114.72 2jan h TYR 268 Ca 0.13 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.94 2jan h TYR 268 Cb 0.31 0.08 -0.05 0.00 2.00 0.00 0.00 36.73 39.07 2jan h TYR 268 CO -0.31 -0.08 0.01 -0.07 -0.00 0.00 0.00 178.16 177.71 2jan h LEU 269 N 0.05 -0.11 -0.79 3.88 3.38 -0.35 0.20 115.31 121.57 2jan h LEU 269 Ca 0.14 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2jan h LEU 269 Cb 0.20 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2jan h LEU 269 CO -0.27 -0.02 0.00 0.08 0.09 0.00 0.00 178.44 178.32 2jan h ARG 270 N 0.10 0.00 0.06 1.13 0.11 -0.59 0.03 114.38 115.23 2jan h ARG 270 Ca 0.15 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.90 2jan h ARG 270 Cb 0.20 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.25 2jan h ARG 270 CO -0.25 0.00 -1.89 0.91 0.10 0.00 0.00 179.97 178.84 2jan n TRP 271 N -2.73 1.08 0.32 4.08 7.02 -0.38 -4.59 117.44 122.25 2jan n TRP 271 Ca 0.02 0.30 0.08 0.00 -1.02 0.00 0.00 57.50 56.88 2jan n TRP 271 Cb 0.34 -1.17 -0.11 0.00 -2.42 0.00 0.00 31.31 27.95 2jan n TRP 271 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2jan n PHE 272 N -3.26 0.00 -4.17 -5.99 3.72 0.64 -4.97 117.46 103.43 2jan n PHE 272 Ca -0.26 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.01 2jan n PHE 272 Cb 1.05 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 39.36 2jan n PHE 272 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2jan n THR 273 N -1.76 0.00 -0.86 4.37 -2.24 -0.01 -4.96 114.28 108.81 2jan n THR 273 Ca -0.00 -0.98 0.08 0.00 -2.27 0.00 0.00 64.05 60.87 2jan n THR 273 Cb 0.35 0.09 0.17 0.00 -2.10 0.00 0.00 70.33 68.83 2jan n THR 273 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2jan n PHE 274 N -0.65 0.36 -1.85 4.78 3.01 -1.26 -4.85 117.46 117.01 2jan n PHE 274 Ca -0.07 -0.87 -0.41 0.00 1.01 0.00 0.00 57.45 57.11 2jan n PHE 274 Cb 0.27 -0.19 -0.01 0.00 -0.01 0.00 0.00 39.48 39.54 2jan n PHE 274 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2jan s LEU 275 N -2.52 4.34 0.82 4.37 1.43 -1.26 -4.98 118.68 120.88 2jan s LEU 275 Ca 0.31 2.99 -0.11 0.00 -1.03 0.00 0.00 54.13 56.29 2jan s LEU 275 Cb 0.26 -3.66 0.09 0.00 0.03 0.00 0.00 46.19 42.90 2jan s LEU 275 CO 0.06 -0.83 1.09 -0.94 0.23 0.00 0.00 176.35 175.96 2jan s SER 276 N -0.14 4.10 0.50 2.29 1.04 -1.26 -4.81 113.70 115.42 2jan s SER 276 Ca 0.53 1.62 0.20 0.00 0.48 0.00 0.00 55.95 58.77 2jan s SER 276 Cb -0.46 -2.32 1.27 0.00 0.10 0.00 0.00 66.02 64.61 2jan s SER 276 CO 0.60 -2.26 2.04 0.00 0.98 0.00 0.00 173.24 174.61 2jan h ALA 277 N -1.29 2.23 -0.06 5.32 0.00 -1.98 -0.53 119.26 122.96 2jan h ALA 277 Ca -0.46 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2jan h ALA 277 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2jan h ALA 277 CO 0.54 -0.33 -0.20 -0.44 0.00 0.00 0.00 179.25 178.82 2jan h ASP 278 N 0.10 0.27 -0.98 0.00 3.32 -1.99 -0.94 116.42 116.20 2jan h ASP 278 Ca 0.18 -0.63 0.12 0.00 0.02 0.00 0.00 57.03 56.73 2jan h ASP 278 Cb 0.59 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.97 2jan h ASP 278 CO -0.02 0.85 0.61 -0.33 -1.72 0.00 0.00 179.24 178.63 2jan h GLU 279 N -0.29 0.92 -0.11 3.56 5.08 -1.77 -1.07 114.58 120.89 2jan h GLU 279 Ca -0.01 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 2jan h GLU 279 Cb 0.83 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2jan h GLU 279 CO 0.04 0.61 -0.59 -0.07 -1.00 0.00 0.00 179.01 178.00 2jan h LEU 280 N 0.95 0.42 -0.00 1.33 3.38 -1.10 -2.33 115.31 117.96 2jan h LEU 280 Ca 0.49 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.26 2jan h LEU 280 Cb 0.51 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2jan h LEU 280 CO -0.28 0.91 -0.21 0.00 0.09 0.00 0.00 178.44 178.96 2jan h ALA 281 N 1.10 -0.26 -0.32 1.53 0.00 -0.24 0.62 119.26 121.68 2jan h ALA 281 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2jan h ALA 281 Cb 1.11 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2jan h ALA 281 CO 0.10 -0.70 -0.05 0.93 0.00 0.00 0.00 179.25 179.53 2jan h GLU 282 N -0.33 0.51 -0.02 0.00 5.08 -1.12 -1.60 114.58 117.10 2jan h GLU 282 Ca 0.06 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 2jan h GLU 282 Cb 0.41 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2jan h GLU 282 CO -0.19 0.58 -0.76 -0.07 -1.00 0.00 0.00 179.01 177.56 2jan h LEU 283 N 0.48 0.20 -0.82 1.33 3.38 -1.35 -2.77 115.31 115.77 2jan h LEU 283 Ca 0.10 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2jan h LEU 283 Cb 0.40 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2jan h LEU 283 CO 0.02 0.89 0.53 -0.33 0.09 0.00 0.00 178.44 179.64 2jan h GLU 284 N 0.10 1.01 -0.34 1.13 5.08 0.06 -1.85 114.58 119.78 2jan h GLU 284 Ca -0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2jan h GLU 284 Cb 1.34 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2jan h GLU 284 CO 0.11 0.67 0.15 1.96 -1.00 0.00 0.00 179.01 180.90 2jan h GLN 285 N 1.04 0.49 -0.48 2.33 1.08 -1.36 -2.26 115.11 115.95 2jan h GLN 285 Ca 0.32 -0.08 0.10 0.00 -1.45 0.00 0.00 58.65 57.55 2jan h GLN 285 Cb -0.01 -0.09 -0.10 0.00 -0.05 0.00 0.00 27.48 27.24 2jan h GLN 285 CO -0.11 0.46 -0.18 0.00 -0.95 0.00 0.00 178.83 178.05 2jan h ALA 286 N 1.00 0.21 -0.24 3.87 0.00 -1.15 0.30 119.26 123.26 2jan h ALA 286 Ca 0.11 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2jan h ALA 286 Cb 0.14 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2jan h ALA 286 CO -0.01 -0.51 -0.06 1.15 0.00 0.00 0.00 179.25 179.81 2jan h THR 287 N -0.07 1.18 0.12 0.00 2.02 -1.21 0.60 112.91 115.55 2jan h THR 287 Ca 0.23 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2jan h THR 287 Cb 0.43 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2jan h THR 287 CO -0.53 0.25 -0.06 0.00 0.37 0.00 0.00 175.52 175.54 2jan h ALA 288 N 1.59 -0.17 0.00 6.16 0.00 -0.67 -3.31 119.26 122.86 2jan h ALA 288 Ca 0.08 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2jan h ALA 288 Cb 0.34 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2jan h ALA 288 CO 0.02 -0.33 -1.45 1.04 0.00 0.00 0.00 179.25 178.52 2jan n GLN 289 N -4.93 0.62 -2.72 0.00 6.02 0.96 -4.56 117.38 112.78 2jan n GLN 289 Ca -0.08 0.22 -0.12 0.00 -0.01 0.00 0.00 57.00 57.00 2jan n GLN 289 Cb 0.26 -1.80 0.02 0.00 1.02 0.00 0.00 30.24 29.74 2jan n GLN 289 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jan n ARG 290 N -2.88 1.37 0.07 -1.09 1.74 0.21 -4.99 116.66 111.09 2jan n ARG 290 Ca -0.10 -3.42 0.04 0.00 -0.77 0.00 0.00 57.85 53.60 2jan n ARG 290 Cb 0.85 -1.42 0.46 0.00 -1.02 0.00 0.00 32.46 31.33 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 2.96 0.38 0.00 5.56 0.13 -1.64 -1.91 132.00 137.48 2jan h PRO 291 Ca -0.03 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2jan h PRO 291 Cb 1.11 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2jan h PRO 291 CO 0.54 0.29 0.00 1.04 -0.23 0.00 0.00 178.00 179.64 2jan n GLN 292 N -4.45 0.46 0.03 0.86 6.02 -1.26 -3.16 117.38 115.87 2jan n GLN 292 Ca 0.01 0.03 0.10 0.00 -0.01 0.00 0.00 57.00 57.14 2jan n GLN 292 Cb 0.10 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.75 2jan n GLN 292 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2jan n GLN 293 N -1.23 0.64 -2.63 -1.09 7.27 -0.72 -5.01 117.38 114.62 2jan n GLN 293 Ca 0.14 -0.07 -0.19 0.00 0.07 0.00 0.00 57.00 56.94 2jan n GLN 293 Cb 0.18 -1.63 0.01 0.00 2.41 0.00 0.00 30.24 31.21 2jan n GLN 293 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2jan n ARG 294 N -2.44 -2.86 -0.26 3.69 1.74 -1.19 -4.89 116.66 110.45 2jan n ARG 294 Ca -0.04 0.87 0.04 0.00 -0.77 0.00 0.00 57.85 57.96 2jan n ARG 294 Cb 0.59 -5.48 0.18 0.00 -1.02 0.00 0.00 32.46 26.73 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 0.90 1.08 -0.42 7.54 0.00 -1.89 -1.25 119.26 125.22 2jan h ALA 295 Ca -0.46 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 2jan h ALA 295 Cb 1.33 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2jan h ALA 295 CO 0.52 -0.14 -0.24 0.00 0.00 0.00 0.00 179.25 179.39 2jan h ALA 296 N 1.52 0.60 -0.41 0.00 0.00 -1.90 -2.31 119.26 116.75 2jan h ALA 296 Ca 0.40 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2jan h ALA 296 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jan h ALA 296 CO -0.36 0.59 -0.06 1.96 0.00 0.00 0.00 179.25 181.39 2jan h GLN 297 N 0.73 0.77 -0.15 0.00 7.50 -1.71 -1.59 115.11 120.67 2jan h GLN 297 Ca 0.09 -0.28 -0.11 0.00 0.50 0.00 0.00 58.65 58.85 2jan h GLN 297 Cb 0.81 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.28 2jan h GLN 297 CO 0.07 0.88 -0.40 0.00 -1.50 0.00 0.00 178.83 177.88 2jan h ARG 298 N 0.59 0.33 -0.06 1.46 3.08 -1.25 -0.55 114.38 117.98 2jan h ARG 298 Ca 0.11 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2jan h ARG 298 Cb 0.57 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2jan h ARG 298 CO 0.03 0.68 -0.14 -0.09 -1.07 0.00 0.00 179.97 179.39 2jan h ARG 299 N 0.28 0.20 -0.68 0.04 9.65 -1.34 -1.81 114.38 120.72 2jan h ARG 299 Ca 0.03 -0.13 0.11 0.00 -1.10 0.00 0.00 59.98 58.88 2jan h ARG 299 Cb 0.83 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 29.35 2jan h ARG 299 CO 0.07 0.73 0.29 1.25 2.80 0.00 0.00 179.97 185.11 2jan h LEU 300 N -0.31 0.31 -0.40 3.80 5.85 -1.22 -1.51 115.31 121.83 2jan h LEU 300 Ca -0.00 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2jan h LEU 300 Cb 0.73 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 2jan h LEU 300 CO 0.03 0.17 0.10 0.00 -0.34 0.00 0.00 178.44 178.40 2jan h ALA 301 N 1.46 0.53 -0.31 1.25 0.00 -1.01 -1.75 119.26 119.43 2jan h ALA 301 Ca 0.35 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2jan h ALA 301 Cb 0.45 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jan h ALA 301 CO -0.32 0.20 -0.36 0.66 0.00 0.00 0.00 179.25 179.43 2jan h SER 302 N 0.51 0.85 -0.22 0.00 4.64 -1.14 -0.97 113.55 117.23 2jan h SER 302 Ca 0.13 -0.49 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2jan h SER 302 Cb 0.30 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2jan h SER 302 CO 0.00 1.17 0.13 -0.33 -0.87 0.00 0.00 176.83 176.93 2jan h GLU 303 N 0.56 0.29 -0.05 4.77 4.39 -1.17 0.34 114.58 123.71 2jan h GLU 303 Ca 0.04 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 2jan h GLU 303 Cb 0.95 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2jan h GLU 303 CO 0.09 0.24 -0.62 -0.07 -1.16 0.00 0.00 179.01 177.49 2jan h LEU 304 N 0.26 0.22 -0.09 1.33 -0.00 -1.35 -1.53 115.31 114.16 2jan h LEU 304 Ca 0.08 -0.13 -0.25 0.00 -0.00 0.00 0.00 57.88 57.58 2jan h LEU 304 Cb 0.02 -0.06 0.01 0.00 -0.00 0.00 0.00 40.66 40.62 2jan h LEU 304 CO -0.01 0.78 -1.02 0.74 -0.00 0.00 0.00 178.44 178.93 2jan h THR 305 N 0.14 1.38 -0.03 0.22 2.02 -0.96 -2.76 112.91 112.91 2jan h THR 305 Ca -0.01 -2.48 -0.00 0.00 0.77 0.00 0.00 66.41 64.69 2jan h THR 305 Cb 1.12 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 70.02 2jan h THR 305 CO 0.09 0.74 0.01 0.58 0.37 0.00 0.00 175.52 177.32 2jan h VAL 306 N 0.25 1.11 -0.53 3.16 2.07 -0.33 -0.20 116.25 121.78 2jan h VAL 306 Ca -0.10 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.19 2jan h VAL 306 Cb 1.67 1.26 -0.10 0.00 -1.52 0.00 0.00 31.29 32.60 2jan h VAL 306 CO 0.18 0.09 -0.39 0.25 0.02 0.00 0.00 177.57 177.72 2jan h LEU 307 N -0.08 -1.34 0.07 2.57 6.46 -1.32 0.26 115.31 121.95 2jan h LEU 307 Ca 0.01 0.23 -0.21 0.00 -0.12 0.00 0.00 57.88 57.79 2jan h LEU 307 Cb 0.13 0.62 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 2jan h LEU 307 CO -0.00 -0.33 -1.09 0.58 -0.62 0.00 0.00 178.44 176.98 2jan h VAL 308 N -0.23 1.18 -0.13 1.05 2.07 -1.50 -3.41 116.25 115.28 2jan h VAL 308 Ca 0.19 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.35 2jan h VAL 308 Cb 0.56 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2jan h VAL 308 CO -0.65 0.61 0.00 1.41 0.02 0.00 0.00 177.57 178.96 2jan n HIS 309 N -4.16 0.17 0.00 1.57 8.25 -0.10 -5.00 115.22 115.95 2jan n HIS 309 Ca -0.23 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 2jan n HIS 309 Cb 0.78 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.88 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 0.62 -1.76 0.15 -1.41 0.00 0.08 -4.32 105.19 98.55 2jan n GLY 310 Ca 0.09 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 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 0.45 -0.55 1.61 3.07 -1.87 -2.52 114.58 114.76 2jan h GLU 311 Ca 0.00 -0.50 0.06 0.00 -0.50 0.00 0.00 59.36 58.41 2jan h GLU 311 Cb 0.00 0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.01 2jan h GLU 311 CO 0.00 1.16 0.27 0.00 -1.40 0.00 0.00 179.01 179.04 2jan h ALA 312 N 0.31 0.72 -0.51 3.43 0.00 -1.98 -0.22 119.26 121.00 2jan h ALA 312 Ca -0.09 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2jan h ALA 312 Cb 1.42 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2jan h ALA 312 CO 0.14 -0.08 -0.16 0.00 0.00 0.00 0.00 179.25 179.14 2jan h ALA 313 N 1.31 0.73 -0.56 0.00 0.00 -1.75 -2.95 119.26 116.05 2jan h ALA 313 Ca 0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2jan h ALA 313 Cb 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jan h ALA 313 CO -0.19 0.67 0.24 1.15 0.00 0.00 0.00 179.25 181.13 2jan h THR 314 N 0.89 1.21 -0.06 0.00 2.02 -1.14 -2.73 112.91 113.10 2jan h THR 314 Ca 0.13 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.69 2jan h THR 314 Cb 0.74 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 2jan h THR 314 CO 0.06 0.25 -0.15 0.00 0.37 0.00 0.00 175.52 176.05 2jan h ALA 315 N 1.08 -0.13 -0.28 6.16 0.00 -0.91 -0.37 119.26 124.81 2jan h ALA 315 Ca 0.19 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2jan h ALA 315 Cb 0.17 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 2jan h ALA 315 CO -0.02 -0.62 -0.16 0.00 0.00 0.00 0.00 179.25 178.45 2jan h ALA 316 N 0.77 0.06 -0.64 0.00 0.00 -1.48 -2.05 119.26 115.92 2jan h ALA 316 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jan h ALA 316 Cb 0.31 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2jan h ALA 316 CO -0.19 -0.56 0.41 0.28 0.00 0.00 0.00 179.25 179.19 2jan h VAL 317 N -0.12 1.17 0.02 0.00 2.07 -1.10 -0.13 116.25 118.16 2jan h VAL 317 Ca 0.15 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2jan h VAL 317 Cb 0.35 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2jan h VAL 317 CO -0.36 0.17 -0.08 -0.33 0.02 0.00 0.00 177.57 177.00 2jan h GLU 318 N 0.87 -0.14 -0.28 1.57 5.08 -0.82 0.44 114.58 121.30 2jan h GLU 318 Ca 0.23 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2jan h GLU 318 Cb -0.07 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2jan h GLU 318 CO -0.05 -0.09 0.12 0.45 -1.00 0.00 0.00 179.01 178.44 2jan h HIS 319 N -0.14 0.23 -0.07 4.33 3.86 -1.00 0.20 115.15 122.55 2jan h HIS 319 Ca 0.02 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2jan h HIS 319 Cb 0.17 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 2jan h HIS 319 CO -0.13 0.12 -0.18 0.00 0.86 0.00 0.00 177.93 178.59 2jan h ALA 320 N 1.15 -0.17 -0.93 2.45 0.00 -0.91 0.22 119.26 121.07 2jan h ALA 320 Ca 0.12 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jan h ALA 320 Cb 0.05 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2jan h ALA 320 CO -0.09 -0.66 0.61 1.03 0.00 0.00 0.00 179.25 180.14 2jan h SER 321 N -0.26 1.08 -0.02 0.00 0.87 0.85 -0.38 113.55 115.68 2jan h SER 321 Ca 0.08 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2jan h SER 321 Cb 0.37 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2jan h SER 321 CO -0.22 0.79 -0.04 0.03 -0.53 0.00 0.00 176.83 176.85 2jan h ARG 322 N 1.27 0.06 -0.74 2.24 3.08 -0.44 -3.25 114.38 116.60 2jan h ARG 322 Ca 0.34 -0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.52 2jan h ARG 322 Cb -0.13 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 29.80 2jan h ARG 322 CO -0.07 0.62 0.09 0.00 -1.07 0.00 0.00 179.97 179.54 2jan h ALA 323 N 0.44 0.86 0.00 0.04 0.00 -0.29 0.50 119.26 120.81 2jan h ALA 323 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jan h ALA 323 Cb 0.62 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2jan h ALA 323 CO 0.01 -0.39 -0.01 -0.07 0.00 0.00 0.00 179.25 178.78 2jan h LEU 324 N 0.17 0.00 -3.32 0.00 4.07 -1.15 -2.90 115.31 112.19 2jan h LEU 324 Ca 0.41 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.19 2jan h LEU 324 Cb 0.72 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.35 2jan h LEU 324 CO -0.59 0.01 -0.21 0.49 -1.08 0.00 0.00 178.44 177.06 2jan n PHE 325 N -3.13 1.01 -1.26 1.13 3.72 -0.48 -4.94 117.46 113.51 2jan n PHE 325 Ca -0.01 -1.67 -0.09 0.00 -0.05 0.00 0.00 57.45 55.62 2jan n PHE 325 Cb 0.20 -0.45 -0.04 0.00 -0.94 0.00 0.00 39.48 38.25 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 -1.09 0.98 1.23 1.37 0.00 -1.10 -4.83 105.19 101.75 2jan n GLY 326 Ca 0.32 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.65 2.69 0.00 1.61 5.12 0.04 -5.00 116.66 119.48 2jan n ARG 327 Ca -0.09 -2.52 0.00 0.00 -1.93 0.00 0.00 57.85 53.31 2jan n ARG 327 Cb 0.43 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 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 1.48 3.99 1.84 -0.13 0.00 -1.16 -4.57 105.19 106.64 2jan n GLY 328 Ca 0.22 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.85 2jan n GLY 328 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jan n GLU 329 N 0.00 0.47 0.18 1.61 0.00 -1.26 -4.79 120.64 116.85 2jan n GLU 329 Ca 0.00 -2.31 0.02 0.00 0.00 0.00 0.00 57.16 54.87 2jan n GLU 329 Cb 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 31.44 31.16 2jan n GLU 329 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 2jan h LEU 330 N 1.35 0.00 -1.51 -1.84 8.10 -1.92 0.20 115.31 119.69 2jan h LEU 330 Ca -0.23 0.00 0.12 0.00 0.11 0.00 0.00 57.88 57.88 2jan h LEU 330 Cb 1.70 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.87 2jan h LEU 330 CO 0.09 0.00 0.48 0.00 -4.11 0.00 0.00 178.44 174.90 2jan h ALA 331 N 0.27 1.97 -0.00 0.17 0.00 -1.96 -2.86 119.26 116.84 2jan h ALA 331 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jan h ALA 331 Cb 1.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jan h ALA 331 CO 0.00 -0.14 -0.07 0.54 0.00 0.00 0.00 179.25 179.58 2jan n ARG 332 N -4.49 0.84 -2.82 0.00 1.74 0.71 -4.82 116.66 107.82 2jan n ARG 332 Ca 0.13 -0.26 -0.40 0.00 -0.77 0.00 0.00 57.85 56.55 2jan n ARG 332 Cb 0.42 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 2jan n ARG 332 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jan s LEU 333 N -2.33 4.52 0.35 0.55 1.43 -1.08 -5.04 118.68 117.06 2jan s LEU 333 Ca 0.34 1.72 -0.19 0.00 -1.03 0.00 0.00 54.13 54.96 2jan s LEU 333 Cb 0.21 -3.48 -0.10 0.00 0.03 0.00 0.00 46.19 42.85 2jan s LEU 333 CO 0.44 0.01 0.84 1.51 0.23 0.00 0.00 176.35 179.37 2jan s ASP 334 N -0.28 6.95 0.27 2.29 -4.77 -1.26 -4.82 116.67 115.05 2jan s ASP 334 Ca 0.43 1.52 -0.03 0.00 -3.30 0.00 0.00 52.55 51.17 2jan s ASP 334 Cb -0.23 -2.47 0.57 0.00 -1.09 0.00 0.00 42.92 39.70 2jan s ASP 334 CO 0.28 -0.21 1.62 1.05 0.70 0.00 0.00 175.17 178.61 2jan h GLU 335 N 2.43 0.09 -0.39 2.11 9.09 -1.98 0.46 114.58 126.40 2jan h GLU 335 Ca -0.48 -0.01 0.08 0.00 0.05 0.00 0.00 59.36 59.00 2jan h GLU 335 Cb 1.18 -0.02 -0.07 0.00 -1.65 0.00 0.00 28.75 28.19 2jan h GLU 335 CO 0.64 0.06 -0.10 0.00 0.05 0.00 0.00 179.01 179.66 2jan h ALA 336 N 1.80 0.24 0.32 1.06 0.00 -1.99 0.10 119.26 120.80 2jan h ALA 336 Ca 0.49 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.53 2jan h ALA 336 Cb 0.92 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jan h ALA 336 CO -0.74 -0.46 -0.16 1.15 0.00 0.00 0.00 179.25 179.04 2jan h THR 337 N -0.01 0.69 -0.46 0.00 2.02 -1.31 -2.08 112.91 111.76 2jan h THR 337 Ca 0.19 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 66.99 2jan h THR 337 Cb 0.29 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2jan h THR 337 CO -0.40 0.08 0.25 0.25 0.37 0.00 0.00 175.52 176.07 2jan h LEU 338 N -0.66 0.38 0.25 2.58 5.85 -1.25 -0.48 115.31 121.98 2jan h LEU 338 Ca -0.04 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2jan h LEU 338 Cb 0.47 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2jan h LEU 338 CO 0.07 0.27 -0.40 0.00 -0.34 0.00 0.00 178.44 178.04 2jan h ALA 339 N 1.23 -0.78 -0.48 1.25 0.00 -0.79 0.35 119.26 120.03 2jan h ALA 339 Ca 0.19 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2jan h ALA 339 Cb 0.07 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 2jan h ALA 339 CO -0.12 -0.99 -0.23 0.00 0.00 0.00 0.00 179.25 177.91 2jan h ALA 340 N -0.27 0.11 -0.38 0.00 0.00 -1.16 -0.16 119.26 117.39 2jan h ALA 340 Ca -0.00 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2jan h ALA 340 Cb 0.69 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2jan h ALA 340 CO -0.15 -0.57 0.09 0.00 0.00 0.00 0.00 179.25 178.62 2jan h ALA 341 N 1.19 0.42 -0.18 0.00 0.00 -0.61 -2.61 119.26 117.46 2jan h ALA 341 Ca 0.23 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 2jan h ALA 341 Cb 0.47 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2jan h ALA 341 CO -0.56 -0.31 -0.36 -0.07 0.00 0.00 0.00 179.25 177.95 2jan h LEU 342 N 0.23 0.40 0.00 0.00 4.07 -0.24 -3.04 115.31 116.74 2jan h LEU 342 Ca 0.18 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2jan h LEU 342 Cb 0.20 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.83 2jan h LEU 342 CO -0.22 0.74 0.00 -2.11 -1.08 0.00 0.00 178.44 175.76 2jan n ARG 343 N -4.06 0.01 0.05 1.13 1.85 -0.14 -1.58 116.66 113.93 2jan n ARG 343 Ca -0.01 0.23 -0.07 0.00 -1.00 0.00 0.00 57.85 57.00 2jan n ARG 343 Cb 0.46 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.25 2jan n ARG 343 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2jan h GLU 344 N 0.00 0.01 -7.08 2.89 4.39 -1.54 -3.46 114.58 109.79 2jan h GLU 344 Ca 0.00 -0.01 -0.46 0.00 0.34 0.00 0.00 59.36 59.23 2jan h GLU 344 Cb 0.25 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 28.97 2jan h GLU 344 CO 0.00 0.92 0.13 0.95 -1.16 0.00 0.00 179.01 179.85 2jan s THR 345 N -2.69 3.13 0.34 1.13 -4.23 -0.62 -5.06 115.64 107.65 2jan s THR 345 Ca -0.00 -0.24 -0.28 0.00 -1.18 0.00 0.00 61.69 59.99 2jan s THR 345 Cb 0.10 -3.25 -0.10 0.00 1.34 0.00 0.00 72.50 70.59 2jan s THR 345 CO 0.82 -0.24 1.25 0.42 -0.54 0.00 0.00 174.62 176.33 2jan s THR 346 N -2.98 2.91 -0.09 3.99 -4.23 -1.26 -4.91 115.64 109.06 2jan s THR 346 Ca 0.56 0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 61.94 2jan s THR 346 Cb -0.10 -3.55 0.03 0.00 1.34 0.00 0.00 72.50 70.21 2jan s THR 346 CO 0.43 0.19 -0.01 -0.69 -0.54 0.00 0.00 174.62 174.01 2jan s VAL 347 N -1.19 0.49 -0.27 2.29 1.01 -1.26 -2.53 120.40 118.95 2jan s VAL 347 Ca 0.50 -0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 2jan s VAL 347 Cb -0.37 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.36 2jan s VAL 347 CO 0.49 0.23 0.97 0.00 0.00 0.00 0.00 175.10 176.79 2jan s ALA 348 N 1.92 3.61 -0.83 5.51 0.00 -0.83 -4.89 121.76 126.26 2jan s ALA 348 Ca 0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 2jan s ALA 348 Cb -0.13 -3.50 0.16 0.00 0.00 0.00 0.00 23.12 19.65 2jan s ALA 348 CO -0.06 -1.16 0.91 -1.83 0.00 0.00 0.00 175.76 173.62 2jan s GLU 349 N 3.22 3.49 0.13 0.00 -1.05 -1.26 -0.96 118.70 122.26 2jan s GLU 349 Ca 0.41 -1.93 -0.30 0.00 -0.15 0.00 0.00 54.97 53.00 2jan s GLU 349 Cb -0.14 -4.61 -0.07 0.00 -0.44 0.00 0.00 34.13 28.88 2jan s GLU 349 CO 0.10 -1.55 1.11 -1.17 0.95 0.00 0.00 175.26 174.69 2jan s LEU 350 N 1.76 4.45 0.52 1.83 0.20 1.00 -4.86 118.68 123.57 2jan s LEU 350 Ca 0.23 2.01 0.01 0.00 0.69 0.00 0.00 54.13 57.07 2jan s LEU 350 Cb -0.10 -3.59 -0.00 0.00 -0.43 0.00 0.00 46.19 42.06 2jan s LEU 350 CO -0.06 -0.28 0.02 -1.59 -0.29 0.00 0.00 176.35 174.15 2jan s LYS 351 N 0.16 2.21 0.47 1.98 0.00 -1.26 -0.52 119.74 122.78 2jan s LYS 351 Ca 0.52 -2.43 -0.22 0.00 0.00 0.00 0.00 55.97 53.84 2jan s LYS 351 Cb -0.28 -1.37 -0.09 0.00 0.00 0.00 0.00 37.83 36.08 2jan s LYS 351 CO 0.32 -0.44 0.93 -2.30 0.00 0.00 0.00 175.35 173.87 2jan n PRO 352 N -1.27 1.14 0.00 1.78 -0.02 -1.26 -3.75 135.00 131.62 2jan n PRO 352 Ca -0.20 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2jan n PRO 352 Cb 0.67 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2jan n PRO 352 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jan n GLY 353 N 1.29 -0.11 2.04 -1.23 0.00 -1.26 -4.97 105.19 100.95 2jan n GLY 353 Ca 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 1.73 -0.87 0.00 1.61 3.41 -1.25 -4.53 113.62 113.73 2jan n SER 354 Ca 0.00 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2jan n SER 354 Cb 0.00 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 2jan n SER 354 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2jan n PRO 355 N -3.10 0.00 -1.80 4.33 -0.02 -1.26 -4.94 135.00 128.21 2jan n PRO 355 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 2jan n PRO 355 Cb 0.00 -0.30 -0.04 0.00 -0.02 0.00 0.00 33.50 33.14 2jan n PRO 355 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2jan n ASP 356 N 0.00 -4.70 -3.74 2.55 2.03 -1.26 -4.96 116.55 106.48 2jan n ASP 356 Ca 0.00 0.21 -0.13 0.00 0.52 0.00 0.00 54.79 55.39 2jan n ASP 356 Cb 0.00 -3.66 -0.10 0.00 -0.72 0.00 0.00 41.12 36.64 2jan n ASP 356 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2jan s GLY 357 N -2.62 -0.28 0.30 0.27 0.00 -1.26 -4.24 107.32 99.49 2jan s GLY 357 Ca 0.00 1.11 0.05 0.00 0.00 0.00 0.00 44.72 45.88 2jan s GLY 357 CO 0.00 1.01 1.68 1.19 0.00 0.00 0.00 173.10 176.98 2jan h ILE 358 N 4.71 0.40 -0.45 0.90 6.09 -1.65 0.64 117.51 128.15 2jan h ILE 358 Ca -0.28 -0.11 -0.03 0.00 -1.37 0.00 0.00 64.86 63.06 2jan h ILE 358 Cb 1.18 0.04 -0.02 0.00 0.47 0.00 0.00 36.82 38.49 2jan h ILE 358 CO 0.28 0.06 0.16 0.58 -3.07 0.00 0.00 178.15 176.16 2jan h VAL 359 N 0.33 1.21 0.27 2.19 2.07 -1.86 -1.63 116.25 118.84 2jan h VAL 359 Ca 0.59 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2jan h VAL 359 Cb 1.19 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2jan h VAL 359 CO -0.58 0.25 -0.13 0.44 0.02 0.00 0.00 177.57 177.57 2jan h ASP 360 N 0.59 -0.31 -0.83 0.57 3.32 -0.31 -3.14 116.42 116.32 2jan h ASP 360 Ca 0.15 -0.20 0.17 0.00 0.02 0.00 0.00 57.03 57.17 2jan h ASP 360 Cb 0.23 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.76 2jan h ASP 360 CO -0.01 0.06 0.37 -0.07 -1.72 0.00 0.00 179.24 177.87 2jan h LEU 361 N -0.71 0.36 -0.49 1.55 4.07 -0.34 -1.01 115.31 118.73 2jan h LEU 361 Ca -0.04 0.12 0.02 0.00 0.08 0.00 0.00 57.88 58.06 2jan h LEU 361 Cb 0.48 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 2jan h LEU 361 CO 0.06 0.10 0.30 -0.07 -1.08 0.00 0.00 178.44 177.75 2jan h LEU 362 N 0.48 0.50 -0.19 1.67 3.38 -1.29 0.29 115.31 120.14 2jan h LEU 362 Ca 0.48 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.26 2jan h LEU 362 Cb 0.78 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.43 2jan h LEU 362 CO -0.44 0.35 -0.59 0.58 0.09 0.00 0.00 178.44 178.44 2jan h VAL 363 N 0.60 1.30 -0.40 1.22 2.07 -1.38 0.18 116.25 119.83 2jan h VAL 363 Ca 0.19 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 2jan h VAL 363 Cb -0.01 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2jan h VAL 363 CO -0.08 0.57 0.23 0.00 0.02 0.00 0.00 177.57 178.31 2jan h ALA 364 N 0.58 0.52 0.00 1.67 0.00 -1.05 -2.49 119.26 118.49 2jan h ALA 364 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jan h ALA 364 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jan h ALA 364 CO 0.13 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 2jan n SER 365 N -4.74 0.00 -0.32 0.00 3.41 0.08 -4.58 113.62 107.47 2jan n SER 365 Ca 0.00 -0.41 -0.04 0.00 -0.26 0.00 0.00 58.87 58.16 2jan n SER 365 Cb 0.07 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.48 0.70 0.13 5.00 0.00 -0.94 -4.64 105.19 105.92 2jan n GLY 366 Ca 0.14 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 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 0.67 -8.90 0.99 3.38 -0.92 -3.45 115.31 107.08 2jan h LEU 367 Ca -0.09 -0.93 -0.68 0.00 0.09 0.00 0.00 57.88 56.28 2jan h LEU 367 Cb 0.31 -0.22 -0.22 0.00 0.09 0.00 0.00 40.66 40.62 2jan h LEU 367 CO 0.12 1.60 -0.73 -0.44 0.09 0.00 0.00 178.44 179.09 2jan s SER 368 N -7.31 4.31 -0.01 -0.43 0.01 -0.67 -4.99 113.70 104.62 2jan s SER 368 Ca -0.12 -0.16 -0.17 0.00 1.31 0.00 0.00 55.95 56.81 2jan s SER 368 Cb 0.03 -1.22 -0.10 0.00 0.21 0.00 0.00 66.02 64.94 2jan s SER 368 CO 0.89 0.29 0.84 0.00 0.41 0.00 0.00 173.24 175.67 2jan h ALA 369 N 5.75 -0.75 -2.43 1.44 0.00 -1.88 -3.34 119.26 118.05 2jan h ALA 369 Ca -0.41 -0.14 -0.52 0.00 0.00 0.00 0.00 54.91 53.85 2jan h ALA 369 Cb 1.18 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2jan h ALA 369 CO 0.53 -0.70 -0.37 -1.12 0.00 0.00 0.00 179.25 177.59 2jan s SER 370 N -4.17 6.35 0.44 0.00 0.01 -1.26 -4.93 113.70 110.14 2jan s SER 370 Ca -0.09 0.28 0.14 0.00 1.31 0.00 0.00 55.95 57.60 2jan s SER 370 Cb 0.01 -1.96 0.97 0.00 0.21 0.00 0.00 66.02 65.25 2jan s SER 370 CO 0.27 -0.05 1.97 0.11 0.41 0.00 0.00 173.24 175.95 2jan h LYS 371 N 1.73 0.00 -0.27 12.44 1.57 -1.90 -2.28 116.57 127.86 2jan h LYS 371 Ca -0.49 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 2jan h LYS 371 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2jan h LYS 371 CO 0.66 0.21 0.13 0.78 -0.57 0.00 0.00 179.45 180.65 2jan h GLY 372 N 0.63 0.42 0.99 3.86 0.00 -1.97 -2.63 103.07 104.37 2jan h GLY 372 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.13 2jan h GLY 372 CO 0.03 0.20 0.56 0.00 0.00 0.00 0.00 176.54 177.33 2jan h ALA 373 N 0.98 1.09 0.21 3.60 0.00 -1.85 -2.01 119.26 121.27 2jan h ALA 373 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jan h ALA 373 Cb 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2jan h ALA 373 CO -0.01 0.48 -0.17 0.00 0.00 0.00 0.00 179.25 179.55 2jan h ALA 374 N 1.32 -0.37 -0.50 0.00 0.00 -1.38 -2.10 119.26 116.23 2jan h ALA 374 Ca 0.32 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.26 2jan h ALA 374 Cb -0.12 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2jan h ALA 374 CO -0.07 -0.72 -0.02 0.00 0.00 0.00 0.00 179.25 178.44 2jan h ARG 375 N -0.39 0.10 0.21 0.00 3.08 -1.13 -1.34 114.38 114.90 2jan h ARG 375 Ca -0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2jan h ARG 375 Cb 0.35 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2jan h ARG 375 CO -0.02 0.06 -0.30 -0.09 -1.07 0.00 0.00 179.97 178.56 2jan h ARG 376 N 0.10 -0.51 -0.95 0.04 2.43 -0.99 -1.87 114.38 112.63 2jan h ARG 376 Ca 0.25 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.54 2jan h ARG 376 Cb 0.38 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.98 2jan h ARG 376 CO -0.43 -0.34 0.59 1.79 -1.51 0.00 0.00 179.97 180.07 2jan h THR 377 N -0.53 1.01 -0.57 0.20 1.35 -1.24 -0.10 112.91 113.03 2jan h THR 377 Ca -0.02 -0.35 0.12 0.00 -0.55 0.00 0.00 66.41 65.60 2jan h THR 377 Cb 0.48 -0.11 -0.10 0.00 -1.73 0.00 0.00 68.15 66.69 2jan h THR 377 CO -0.09 0.19 -0.02 0.40 -0.25 0.00 0.00 175.52 175.75 2jan h ILE 378 N 1.03 0.52 0.00 6.82 2.04 -1.03 -0.69 117.51 126.20 2jan h ILE 378 Ca 0.43 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.26 2jan h ILE 378 Cb 0.28 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2jan h ILE 378 CO -0.21 0.02 0.00 1.41 0.00 0.00 0.00 178.15 179.37 2jan n HIS 379 N -5.28 0.00 -0.17 1.37 8.25 -0.11 -1.89 115.22 117.38 2jan n HIS 379 Ca 0.07 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.62 2jan n HIS 379 Cb 0.32 -0.36 0.29 0.00 1.12 0.00 0.00 29.99 31.36 2jan n HIS 379 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2jan n GLU 380 N -1.36 3.05 -0.70 -0.41 1.02 -0.30 -4.95 120.64 116.99 2jan n GLU 380 Ca 0.09 -2.35 0.00 0.00 -0.02 0.00 0.00 57.16 54.88 2jan n GLU 380 Cb 0.21 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 1.14 0.25 0.00 0.62 0.00 -0.79 -4.86 105.19 101.55 2jan n GLY 381 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.68 -1.19 3.82 -0.02 0.00 -0.97 -4.77 105.19 100.39 2jan n GLY 382 Ca 0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2jan n GLY 382 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jan s VAL 383 N -2.82 5.32 -0.01 1.61 1.01 -1.26 -1.02 120.40 123.23 2jan s VAL 383 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2jan s VAL 383 Cb 0.15 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 33.22 2jan s VAL 383 CO 0.39 0.59 0.00 -0.44 0.00 0.00 0.00 175.10 175.64 2jan s SER 384 N -0.77 0.18 -0.20 3.32 0.01 -0.55 -2.19 113.70 113.50 2jan s SER 384 Ca 0.13 -0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.31 2jan s SER 384 Cb -0.12 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 2jan s SER 384 CO 0.03 -0.04 0.08 -0.69 0.41 0.00 0.00 173.24 173.03 2jan s VAL 385 N 0.44 4.81 -1.47 3.43 1.01 -0.57 -1.18 120.40 126.87 2jan s VAL 385 Ca -0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 2jan s VAL 385 Cb -0.06 -3.19 0.06 0.00 0.00 0.00 0.00 36.38 33.19 2jan s VAL 385 CO -0.01 0.42 0.82 0.59 0.00 0.00 0.00 175.10 176.92 2jan n ASN 386 N 3.90 -5.01 0.00 3.32 3.02 0.82 -1.49 115.26 119.81 2jan n ASN 386 Ca -0.16 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 2jan n ASN 386 Cb 0.52 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 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 -2.66 0.00 -4.78 6.41 3.02 -1.26 -4.98 115.26 111.01 2jan n ASN 387 Ca -0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 2jan n ASN 387 Cb 0.55 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.98 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 -2.93 5.43 0.57 2.41 1.01 -0.55 -5.03 121.20 122.11 2jan s ILE 388 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 60.65 60.71 2jan s ILE 388 Cb 0.00 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 2jan s ILE 388 CO 0.00 0.49 1.07 -0.60 0.00 0.00 0.00 174.94 175.90 2jan s ARG 389 N -0.08 3.38 -0.30 2.79 3.52 -1.26 -1.52 118.95 125.47 2jan s ARG 389 Ca 0.11 1.31 0.03 0.00 -0.13 0.00 0.00 55.73 57.05 2jan s ARG 389 Cb -0.12 -2.03 0.08 0.00 -1.56 0.00 0.00 34.95 31.32 2jan s ARG 389 CO 0.00 -0.78 -0.03 0.08 -0.81 0.00 0.00 175.30 173.77 2jan s VAL 390 N -2.25 2.29 -0.05 7.11 1.01 -0.93 -4.84 120.40 122.74 2jan s VAL 390 Ca 0.66 -1.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.50 2jan s VAL 390 Cb -0.17 -2.49 -0.29 0.00 0.00 0.00 0.00 36.38 33.42 2jan s VAL 390 CO 0.32 -0.28 0.93 0.44 0.00 0.00 0.00 175.10 176.52 2jan h ASP 391 N 7.73 0.42 -3.11 3.32 3.32 -1.88 -3.45 116.42 122.76 2jan h ASP 391 Ca -0.13 -0.91 -0.55 0.00 0.02 0.00 0.00 57.03 55.46 2jan h ASP 391 Cb 1.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 2jan h ASP 391 CO 0.49 1.29 0.66 0.21 -1.72 0.00 0.00 179.24 180.18 2jan s ASN 392 N -6.81 7.06 0.43 6.45 3.84 -1.26 -4.77 114.94 119.87 2jan s ASN 392 Ca -0.14 1.88 0.18 0.00 0.21 0.00 0.00 52.86 54.99 2jan s ASN 392 Cb 0.01 -2.56 0.96 0.00 -0.55 0.00 0.00 41.25 39.11 2jan s ASN 392 CO 0.81 -0.55 1.91 -0.08 -2.79 0.00 0.00 177.10 176.40 2jan h GLU 393 N 7.29 0.00 -0.50 0.43 4.81 -1.96 -3.04 114.58 121.61 2jan h GLU 393 Ca -0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2jan h GLU 393 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2jan h GLU 393 CO 0.86 0.27 0.00 0.39 -0.73 0.00 0.00 179.01 179.80 2jan n GLU 394 N -3.92 2.51 -1.26 1.92 1.02 -1.26 -4.34 120.64 115.32 2jan n GLU 394 Ca -0.02 -2.31 -0.45 0.00 -0.02 0.00 0.00 57.16 54.36 2jan n GLU 394 Cb 0.35 -1.52 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 2jan n GLU 394 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 2jan n TRP 395 N 1.45 -0.12 -4.84 -0.32 -0.00 -1.15 -4.77 117.44 107.69 2jan n TRP 395 Ca 0.21 0.88 -0.25 0.00 -0.00 0.00 0.00 57.50 58.33 2jan n TRP 395 Cb 0.59 -1.76 -0.16 0.00 -0.00 0.00 0.00 31.31 29.98 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 -0.61 1.40 -0.18 5.87 0.11 -1.26 -1.89 120.40 123.84 2jan s VAL 396 Ca 0.64 -0.74 -0.29 0.00 -2.93 0.00 0.00 61.98 58.65 2jan s VAL 396 Cb -0.91 -1.18 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 2jan s VAL 396 CO 0.50 0.40 1.53 -2.16 -3.33 0.00 0.00 175.10 172.03 2jan s PRO 397 N -0.29 3.97 0.83 1.54 0.04 -1.26 -5.00 135.00 134.82 2jan s PRO 397 Ca 0.04 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 2jan s PRO 397 Cb -0.08 -3.96 0.09 0.00 0.04 0.00 0.00 34.50 30.59 2jan s PRO 397 CO 0.00 -1.08 1.10 -1.14 0.04 0.00 0.00 177.00 175.93 2jan s GLN 398 N 4.28 1.79 0.18 4.56 0.74 -1.26 -4.96 119.66 124.99 2jan s GLN 398 Ca 0.67 1.20 -0.12 0.00 0.05 0.00 0.00 55.36 57.16 2jan s GLN 398 Cb -0.25 -1.84 0.08 0.00 1.10 0.00 0.00 33.01 32.10 2jan s GLN 398 CO 0.26 -1.98 1.77 1.03 -0.55 0.00 0.00 175.29 175.82 2jan h SER 399 N -1.38 0.77 0.54 6.67 0.87 -2.01 -2.96 113.55 116.06 2jan h SER 399 Ca -0.45 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2jan h SER 399 Cb 1.25 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2jan h SER 399 CO 0.50 0.66 0.00 -1.54 -0.53 0.00 0.00 176.83 175.92 2jan n SER 400 N -4.55 0.00 0.03 6.23 3.41 -1.26 -3.34 113.62 114.15 2jan n SER 400 Ca 0.04 0.36 -0.06 0.00 -0.26 0.00 0.00 58.87 58.96 2jan n SER 400 Cb 0.11 -0.44 0.14 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.47 -2.80 4.04 3.32 -1.90 -3.45 116.42 116.11 2jan h ASP 401 Ca 0.00 -0.21 -0.53 0.00 0.02 0.00 0.00 57.03 56.30 2jan h ASP 401 Cb 0.27 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 39.70 2jan h ASP 401 CO 0.00 0.85 0.91 -0.36 -1.72 0.00 0.00 179.24 178.91 2jan s PHE 402 N -4.16 2.74 0.02 4.55 0.40 -1.21 -4.87 117.98 115.45 2jan s PHE 402 Ca -0.06 0.56 -0.30 0.00 -0.60 0.00 0.00 56.93 56.53 2jan s PHE 402 Cb 0.13 -3.86 -0.05 0.00 0.51 0.00 0.00 43.02 39.75 2jan s PHE 402 CO 0.81 -3.29 1.20 -0.51 0.70 0.00 0.00 175.22 174.14 2jan s LEU 403 N 2.12 4.34 -1.24 -0.37 2.01 0.75 -3.00 118.68 123.28 2jan s LEU 403 Ca 0.70 1.96 -0.05 0.00 0.01 0.00 0.00 54.13 56.74 2jan s LEU 403 Cb -0.38 -3.57 0.03 0.00 0.01 0.00 0.00 46.19 42.28 2jan s LEU 403 CO 0.31 -0.51 0.32 1.41 1.01 0.00 0.00 176.35 178.89 2jan n HIS 404 N 4.36 -1.67 -0.68 0.29 8.25 -1.26 -1.59 115.22 122.91 2jan n HIS 404 Ca 0.10 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 2jan n HIS 404 Cb 0.46 -3.11 0.00 0.00 1.12 0.00 0.00 29.99 28.47 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 -1.08 0.23 0.01 -1.41 0.00 -1.16 -4.73 105.19 97.04 2jan n GLY 405 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.70 3.73 -4.88 1.61 1.74 -0.62 -4.82 116.66 111.71 2jan n ARG 406 Ca 0.00 -0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 2jan n ARG 406 Cb 0.06 -1.04 -0.16 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.04 1.74 0.08 -1.55 0.52 -0.69 -1.05 118.94 115.96 2jan s TRP 407 Ca -0.01 -0.45 0.09 0.00 0.02 0.00 0.00 56.10 55.75 2jan s TRP 407 Cb 0.00 -1.16 -0.03 0.00 -1.15 0.00 0.00 33.47 31.13 2jan s TRP 407 CO 0.06 -0.13 -0.21 -0.51 0.02 0.00 0.00 176.95 176.18 2jan s LEU 408 N -0.12 2.48 -0.28 2.99 1.43 -0.58 -0.18 118.68 124.42 2jan s LEU 408 Ca -0.00 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2jan s LEU 408 Cb -0.10 -1.42 0.07 0.00 0.03 0.00 0.00 46.19 44.76 2jan s LEU 408 CO 0.01 0.22 -0.06 -0.69 0.23 0.00 0.00 176.35 176.06 2jan s VAL 409 N -0.98 2.34 0.26 -1.59 1.01 -1.26 -1.57 120.40 118.62 2jan s VAL 409 Ca 0.15 -1.71 -0.10 0.00 0.00 0.00 0.00 61.98 60.32 2jan s VAL 409 Cb -0.10 -2.43 -0.07 0.00 0.00 0.00 0.00 36.38 33.77 2jan s VAL 409 CO 0.06 -0.14 0.59 -0.76 0.00 0.00 0.00 175.10 174.85 2jan s LEU 410 N 1.10 4.12 -0.15 3.92 1.43 -0.17 -0.13 118.68 128.81 2jan s LEU 410 Ca -0.05 0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 2jan s LEU 410 Cb -0.20 -3.76 0.04 0.00 0.03 0.00 0.00 46.19 42.31 2jan s LEU 410 CO -0.05 -0.13 0.37 -0.60 0.23 0.00 0.00 176.35 176.18 2jan s ARG 411 N -2.97 0.41 -0.08 1.70 3.52 -0.33 -2.15 118.95 119.05 2jan s ARG 411 Ca 0.48 0.59 0.01 0.00 -0.13 0.00 0.00 55.73 56.68 2jan s ARG 411 Cb -0.11 0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.37 2jan s ARG 411 CO 0.22 -0.09 -0.08 0.50 -0.81 0.00 0.00 175.30 175.04 2jan s ARG 412 N 0.61 2.83 4.81 5.12 3.52 -0.12 -1.48 118.95 134.24 2jan s ARG 412 Ca -0.03 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 2jan s ARG 412 Cb -0.05 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.74 2jan s ARG 412 CO -0.04 0.60 0.00 0.41 -0.81 0.00 0.00 175.30 175.46 2jan n GLY 413 N 2.41 2.73 0.04 8.12 0.00 -0.19 -2.80 105.19 115.51 2jan n GLY 413 Ca -0.18 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.57 2jan n GLY 413 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jan n LYS 414 N 14.00 2.78 0.00 1.61 4.01 -1.26 -4.84 118.16 134.47 2jan n LYS 414 Ca 0.00 -1.67 0.00 0.00 -0.51 0.00 0.00 58.31 56.13 2jan n LYS 414 Cb 0.00 -1.08 0.00 0.00 -0.51 0.00 0.00 35.03 33.44 2jan n LYS 414 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2jan n ARG 415 N -0.57 2.13 -4.18 1.97 1.85 -1.22 -4.95 116.66 111.70 2jan n ARG 415 Ca 0.03 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.53 2jan n ARG 415 Cb 0.31 -0.77 -0.14 0.00 -1.05 0.00 0.00 32.46 30.81 2jan n ARG 415 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2jan s SER 416 N -2.05 4.16 0.09 2.89 0.01 -1.12 -5.04 113.70 112.63 2jan s SER 416 Ca 0.00 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 56.94 2jan s SER 416 Cb 0.00 -1.69 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 2jan s SER 416 CO 0.00 0.04 -0.14 0.27 0.41 0.00 0.00 173.24 173.82 2jan s ILE 417 N 1.10 1.21 0.05 1.44 -4.36 -1.26 -0.95 121.20 118.43 2jan s ILE 417 Ca 0.01 -1.45 -0.04 0.00 -0.26 0.00 0.00 60.65 58.91 2jan s ILE 417 Cb -0.15 -1.24 -0.02 0.00 1.25 0.00 0.00 42.46 42.30 2jan s ILE 417 CO -0.01 -0.28 0.07 0.00 0.24 0.00 0.00 174.94 174.95 2jan s ALA 418 N -1.54 0.12 0.43 2.27 0.00 -0.91 -4.73 121.76 117.39 2jan s ALA 418 Ca 0.02 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.24 2jan s ALA 418 Cb -0.08 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 2jan s ALA 418 CO 0.02 -0.37 0.33 0.20 0.00 0.00 0.00 175.76 175.94 2jan s GLY 419 N -2.55 2.21 -0.11 0.00 0.00 -1.05 -0.99 107.32 104.82 2jan s GLY 419 Ca 0.01 -1.91 -0.03 0.00 0.00 0.00 0.00 44.72 42.79 2jan s GLY 419 CO -0.08 -1.77 0.11 0.14 0.00 0.00 0.00 173.10 171.50 2jan s VAL 420 N -2.53 -0.17 -0.29 1.40 1.01 -0.61 -1.97 120.40 117.25 2jan s VAL 420 Ca 0.45 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.52 2jan s VAL 420 Cb -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 2jan s VAL 420 CO 0.26 -0.01 0.12 -0.70 0.00 0.00 0.00 175.10 174.78 2jan s GLU 421 N 2.21 3.44 0.29 2.72 2.12 -0.14 -1.53 118.70 127.81 2jan s GLU 421 Ca 0.04 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 54.44 2jan s GLU 421 Cb -0.14 -3.48 -0.10 0.00 0.26 0.00 0.00 34.13 30.67 2jan s GLU 421 CO -0.07 -0.34 1.35 0.50 -0.54 0.00 0.00 175.26 176.17 2jan s ARG 422 N 1.61 4.33 0.08 4.30 3.52 -0.22 -0.00 118.95 132.57 2jan s ARG 422 Ca 0.05 2.23 0.02 0.00 -0.13 0.00 0.00 55.73 57.90 2jan s ARG 422 Cb -0.16 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 2jan s ARG 422 CO 0.05 -0.28 -0.08 0.42 -0.81 0.00 0.00 175.30 174.61 2jan s ILE 423 N -0.58 0.70 0.00 4.11 -1.09 0.32 -4.89 121.20 119.77 2jan s ILE 423 Ca 0.54 -1.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.29 2jan s ILE 423 Cb -0.40 -1.35 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 2jan s ILE 423 CO 0.48 -0.69 0.21 0.61 -1.23 0.00 0.00 174.94 174.32