#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 -0.01 9.51 4.07 -1.99 -2.16 115.31 124.73 2jan h LEU 6 Ca 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 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 0.03 -0.59 0.44 -1.08 0.00 0.00 178.44 177.25 2jan h ASP 7 N 0.00 0.54 0.33 -0.43 3.32 -2.01 -2.82 116.42 115.35 2jan h ASP 7 Ca -0.00 -0.75 -0.01 0.00 0.02 0.00 0.00 57.03 56.30 2jan h ASP 7 Cb 0.22 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2jan h ASP 7 CO 0.00 1.21 -0.39 -0.33 -1.72 0.00 0.00 179.24 178.01 2jan h GLU 8 N -0.08 -0.71 -0.48 3.56 4.39 -1.96 -1.82 114.58 117.46 2jan h GLU 8 Ca -0.07 0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.82 2jan h GLU 8 Cb 1.29 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 2jan h GLU 8 CO 0.12 -0.48 0.40 -0.07 -1.16 0.00 0.00 179.01 177.82 2jan h LEU 9 N -0.74 0.00 0.04 1.33 3.38 -1.51 -1.75 115.31 116.06 2jan h LEU 9 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2jan h LEU 9 Cb 0.66 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.42 2jan h LEU 9 CO -0.08 0.00 -0.48 -1.28 0.09 0.00 0.00 178.44 176.69 2jan h SER 10 N 0.00 0.36 0.30 -0.43 0.87 -1.21 0.25 113.55 113.68 2jan h SER 10 Ca 0.23 -0.84 -0.10 0.00 -1.23 0.00 0.00 61.79 59.84 2jan h SER 10 Cb 1.03 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 2jan h SER 10 CO -0.00 1.16 -0.43 4.11 -0.53 0.00 0.00 176.83 181.14 2jan h TRP 11 N -0.40 0.20 0.00 2.24 5.08 -0.65 -2.30 115.95 120.12 2jan h TRP 11 Ca -0.07 -0.06 0.00 0.00 1.08 0.00 0.00 58.89 59.84 2jan h TRP 11 Cb 1.27 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 2jan h TRP 11 CO 0.19 0.58 0.00 0.54 -1.28 0.00 0.00 178.44 178.46 2jan n ARG 12 N -4.01 0.21 -1.87 0.12 1.74 -0.72 -4.90 116.66 107.23 2jan n ARG 12 Ca -0.02 0.38 -0.03 0.00 -0.77 0.00 0.00 57.85 57.41 2jan n ARG 12 Cb 0.48 -1.86 -0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 0.29 0.32 0.11 -0.13 0.00 -0.86 -4.69 105.19 100.23 2jan n GLY 13 Ca 0.03 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.41 0.81 -4.40 0.99 4.77 0.83 -4.73 117.00 114.86 2jan n LEU 14 Ca -0.03 -0.17 -0.45 0.00 -0.03 0.00 0.00 56.01 55.32 2jan n LEU 14 Cb 0.44 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2jan n LEU 14 CO 0.04 0.17 0.67 -0.63 -1.33 0.00 0.00 177.39 176.32 2jan s ILE 15 N -2.80 5.00 0.02 -0.08 1.01 -1.23 -4.21 121.20 118.91 2jan s ILE 15 Ca 0.16 -1.66 -0.27 0.00 0.00 0.00 0.00 60.65 58.88 2jan s ILE 15 Cb 0.18 -4.62 -0.16 0.00 0.01 0.00 0.00 42.46 37.87 2jan s ILE 15 CO 0.64 -1.28 1.24 0.00 0.00 0.00 0.00 174.94 175.55 2jan h ALA 16 N 8.63 -0.70 -2.48 9.38 0.00 -1.36 -3.48 119.26 129.25 2jan h ALA 16 Ca 0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2jan h ALA 16 Cb 1.05 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 2jan h ALA 16 CO 1.00 -0.76 -0.48 -1.14 0.00 0.00 0.00 179.25 177.87 2jan s GLN 17 N -4.88 0.92 -0.07 0.00 0.74 -1.18 -4.99 119.66 110.20 2jan s GLN 17 Ca -0.15 -1.19 -0.30 0.00 0.05 0.00 0.00 55.36 53.77 2jan s GLN 17 Cb 0.02 0.30 0.11 0.00 1.10 0.00 0.00 33.01 34.55 2jan s GLN 17 CO 0.51 -0.29 0.98 -1.54 -0.55 0.00 0.00 175.29 174.40 2jan s SER 18 N -2.95 -0.31 1.08 6.67 1.04 -1.26 -1.38 113.70 116.59 2jan s SER 18 Ca 0.14 0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.52 2jan s SER 18 Cb 0.06 0.31 0.13 0.00 0.10 0.00 0.00 66.02 66.62 2jan s SER 18 CO -0.04 -0.50 0.52 0.35 0.98 0.00 0.00 173.24 174.55 2jan n THR 19 N -0.12 0.00 -1.69 2.02 -2.24 -0.39 -4.85 114.28 107.01 2jan n THR 19 Ca -0.06 -0.27 -0.54 0.00 -2.27 0.00 0.00 64.05 60.90 2jan n THR 19 Cb 0.61 -1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 67.50 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 -3.72 2.59 -0.04 3.42 2.03 -1.26 -4.85 116.55 114.71 2jan n ASP 20 Ca 0.07 1.06 -0.14 0.00 0.52 0.00 0.00 54.79 56.29 2jan n ASP 20 Cb 0.26 -1.21 -0.03 0.00 -0.72 0.00 0.00 41.12 39.43 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 7.34 0.87 -0.22 -2.67 7.12 -1.98 -0.83 115.31 124.96 2jan h LEU 21 Ca -0.47 -0.50 -0.10 0.00 0.13 0.00 0.00 57.88 56.94 2jan h LEU 21 Cb 1.31 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 41.18 2jan h LEU 21 CO 0.93 1.28 -0.25 0.44 -0.13 0.00 0.00 178.44 180.72 2jan h ASP 22 N 0.57 0.60 -0.37 1.25 3.32 -1.99 0.69 116.42 120.50 2jan h ASP 22 Ca -0.01 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 2jan h ASP 22 Cb 1.22 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 2jan h ASP 22 CO 0.13 0.97 0.19 0.74 -1.72 0.00 0.00 179.24 179.54 2jan h THR 23 N 0.24 1.14 -0.00 0.35 2.02 -1.93 -0.55 112.91 114.18 2jan h THR 23 Ca 0.03 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 2jan h THR 23 Cb 0.81 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2jan h THR 23 CO 0.06 0.16 -0.02 0.25 0.37 0.00 0.00 175.52 176.35 2jan h LEU 24 N 0.56 0.02 -0.66 2.58 5.85 -0.97 -2.46 115.31 120.24 2jan h LEU 24 Ca 0.14 -0.63 0.09 0.00 0.84 0.00 0.00 57.88 58.32 2jan h LEU 24 Cb 0.07 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 2jan h LEU 24 CO -0.02 0.65 0.30 0.00 -0.34 0.00 0.00 178.44 179.04 2jan h ALA 25 N 0.37 0.88 -0.69 1.25 0.00 -0.78 -0.50 119.26 119.79 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 0.65 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 2jan h ALA 25 CO 0.00 -0.09 0.18 0.00 0.00 0.00 0.00 179.25 179.34 2jan h ALA 26 N 1.41 0.87 -0.20 0.00 0.00 -1.11 -0.80 119.26 119.43 2jan h ALA 26 Ca 0.32 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.29 2jan h ALA 26 Cb 0.34 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2jan h ALA 26 CO -0.26 -0.30 -0.23 1.49 0.00 0.00 0.00 179.25 179.95 2jan h GLU 27 N 0.30 0.36 0.51 0.00 4.57 -0.74 -2.89 114.58 116.70 2jan h GLU 27 Ca 0.37 -0.12 -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 -0.45 0.57 -0.25 0.00 -1.18 0.00 0.00 179.01 177.71 2jan h ALA 28 N 1.44 -0.69 -0.63 2.92 0.00 0.33 -3.07 119.26 119.57 2jan h ALA 28 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2jan h ALA 28 Cb 0.59 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2jan h ALA 28 CO 0.04 -0.77 0.26 -0.56 0.00 0.00 0.00 179.25 178.22 2jan h GLN 29 N -0.92 0.91 -1.08 0.00 3.07 -1.55 -2.85 115.11 112.69 2jan h GLN 29 Ca -0.07 -0.14 0.37 0.00 0.09 0.00 0.00 58.65 58.90 2jan h GLN 29 Cb 0.61 -0.16 -0.15 0.00 0.08 0.00 0.00 27.48 27.86 2jan h GLN 29 CO 0.12 0.73 0.64 -0.09 0.09 0.00 0.00 178.83 180.31 2jan h ARG 30 N 0.90 0.19 0.00 0.06 2.43 -1.41 -3.45 114.38 113.09 2jan h ARG 30 Ca 0.21 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2jan h ARG 30 Cb 0.15 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2jan h ARG 30 CO -0.02 0.12 0.00 0.41 -1.51 0.00 0.00 179.97 178.97 2jan n GLY 31 N -1.35 1.31 3.53 2.80 0.00 -1.07 -5.11 105.19 105.31 2jan n GLY 31 Ca 0.34 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.73 1.30 -1.14 1.61 -0.04 -1.26 -4.63 135.00 130.11 2jan n PRO 32 Ca 0.00 0.27 -0.30 0.00 -0.04 0.00 0.00 63.50 63.42 2jan n PRO 32 Cb 0.00 -2.95 0.13 0.00 -0.04 0.00 0.00 33.50 30.63 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 7.08 1.55 -0.32 0.54 -1.94 -1.26 -4.76 119.30 120.18 2jan s MET 33 Ca 1.05 1.05 -0.04 0.00 -1.71 0.00 0.00 55.69 56.04 2jan s MET 33 Cb -0.51 -1.82 0.05 0.00 2.01 0.00 0.00 34.83 34.55 2jan s MET 33 CO 0.38 -2.10 0.06 0.99 -0.01 0.00 0.00 175.02 174.33 2jan s THR 34 N -2.87 3.42 0.01 2.05 2.01 -1.26 -0.02 115.64 118.99 2jan s THR 34 Ca 0.63 -1.26 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 2jan s THR 34 Cb -0.18 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 2jan s THR 34 CO 0.57 -0.15 0.20 -0.69 -0.69 0.00 0.00 174.62 173.85 2jan s VAL 35 N 1.33 5.41 0.11 3.82 1.01 0.24 -2.62 120.40 129.70 2jan s VAL 35 Ca -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2jan s VAL 35 Cb -0.20 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2jan s VAL 35 CO 0.01 0.28 -0.06 -0.72 0.00 0.00 0.00 175.10 174.61 2jan s TYR 36 N -1.37 0.94 -0.09 5.22 -0.85 -0.57 0.66 117.35 121.29 2jan s TYR 36 Ca 0.29 -0.92 -0.08 0.00 -0.52 0.00 0.00 57.07 55.84 2jan s TYR 36 Cb -0.13 -0.54 0.03 0.00 0.38 0.00 0.00 41.96 41.70 2jan s TYR 36 CO 0.21 -0.15 0.23 0.00 -1.52 0.00 0.00 175.55 174.32 2jan s ALA 37 N -3.62 -0.57 0.34 9.51 0.00 -0.88 -0.47 121.76 126.07 2jan s ALA 37 Ca 0.13 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 52.69 2jan s ALA 37 Cb 0.05 -0.41 -0.07 0.00 0.00 0.00 0.00 23.12 22.70 2jan s ALA 37 CO -0.04 -0.12 0.68 0.20 0.00 0.00 0.00 175.76 176.48 2jan s GLY 38 N 0.25 2.02 -0.08 0.00 0.00 -1.26 -1.69 107.32 106.56 2jan s GLY 38 Ca -0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 44.72 44.38 2jan s GLY 38 CO -0.01 -0.11 0.20 -1.36 0.00 0.00 0.00 173.10 171.82 2jan s PHE 39 N -2.16 -0.24 -0.32 1.90 0.40 -0.50 -4.91 117.98 112.15 2jan s PHE 39 Ca 0.49 0.59 -0.29 0.00 -0.60 0.00 0.00 56.93 57.12 2jan s PHE 39 Cb -0.11 0.04 0.02 0.00 0.51 0.00 0.00 43.02 43.48 2jan s PHE 39 CO 0.28 -0.15 1.07 0.34 0.70 0.00 0.00 175.22 177.45 2jan s ASP 40 N 0.62 6.92 0.00 1.36 2.15 -1.26 -0.42 116.67 126.04 2jan s ASP 40 Ca -0.04 1.03 0.23 0.00 0.43 0.00 0.00 52.55 54.20 2jan s ASP 40 Cb -0.06 -2.54 0.97 0.00 -0.30 0.00 0.00 42.92 40.99 2jan s ASP 40 CO -0.03 -0.87 1.67 -0.81 -0.17 0.00 0.00 175.17 174.96 2jan n PRO 41 N 6.85 1.56 -0.00 4.34 -0.04 -1.26 -3.94 135.00 142.51 2jan n PRO 41 Ca 0.12 -0.83 -0.02 0.00 -0.04 0.00 0.00 63.50 62.73 2jan n PRO 41 Cb 0.47 -1.41 0.24 0.00 -0.04 0.00 0.00 33.50 32.76 2jan n PRO 41 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2jan h THR 42 N 1.78 1.23 -3.98 0.52 1.35 -1.92 -3.45 112.91 108.45 2jan h THR 42 Ca 0.00 -1.04 -0.54 0.00 -0.55 0.00 0.00 66.41 64.28 2jan h THR 42 Cb 0.39 1.13 0.11 0.00 -1.73 0.00 0.00 68.15 68.05 2jan h THR 42 CO 0.00 0.34 0.70 0.00 -0.25 0.00 0.00 175.52 176.31 2jan s ALA 43 N -4.74 3.26 -0.87 6.62 0.00 -1.25 -4.93 121.76 119.84 2jan s ALA 43 Ca -0.07 1.44 0.26 0.00 0.00 0.00 0.00 51.96 53.59 2jan s ALA 43 Cb 0.15 -3.58 1.00 0.00 0.00 0.00 0.00 23.12 20.69 2jan s ALA 43 CO 0.78 -1.14 1.80 -0.35 0.00 0.00 0.00 175.76 176.85 2jan n PRO 44 N -0.11 0.09 -3.61 0.00 -0.04 -1.26 -4.87 135.00 125.21 2jan n PRO 44 Ca 0.05 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.54 2jan n PRO 44 Cb 0.42 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 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 -3.56 -0.39 0.29 3.54 0.15 -1.26 -4.85 113.70 107.61 2jan s SER 45 Ca 0.11 -0.27 -0.28 0.00 0.70 0.00 0.00 55.95 56.21 2jan s SER 45 Cb 0.15 0.60 -0.09 0.00 -1.71 0.00 0.00 66.02 64.97 2jan s SER 45 CO 0.50 -1.05 0.96 -0.76 1.20 0.00 0.00 173.24 174.09 2jan s LEU 46 N -2.82 4.48 0.51 3.45 1.43 -1.26 -4.95 118.68 119.53 2jan s LEU 46 Ca 0.05 1.92 0.01 0.00 -1.03 0.00 0.00 54.13 55.08 2jan s LEU 46 Cb -0.02 -3.82 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 2jan s LEU 46 CO -0.07 0.01 0.01 -1.38 0.23 0.00 0.00 176.35 175.15 2jan s HIS 47 N -1.40 1.82 0.55 0.29 -3.43 -1.26 -0.68 115.29 111.18 2jan s HIS 47 Ca 0.46 -0.99 0.40 0.00 -0.80 0.00 0.00 55.06 54.13 2jan s HIS 47 Cb -0.23 -1.58 1.57 0.00 -1.43 0.00 0.00 32.58 30.91 2jan s HIS 47 CO 0.29 0.19 1.72 0.00 -2.00 0.00 0.00 174.74 174.93 2jan h ALA 48 N 1.34 3.28 0.00 -1.38 0.00 -1.12 0.52 119.26 121.90 2jan h ALA 48 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jan h ALA 48 Cb 1.32 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2jan h ALA 48 CO 0.73 -1.72 0.00 0.78 0.00 0.00 0.00 179.25 179.04 2jan h GLY 49 N 0.00 0.00 0.36 0.00 0.00 -1.88 -2.74 103.07 98.82 2jan h GLY 49 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.98 2jan h GLY 49 CO -0.01 0.00 -0.17 1.42 0.00 0.00 0.00 176.54 177.78 2jan n HIS 50 N -2.90 0.00 -0.26 5.60 -0.00 0.18 -4.46 115.22 113.37 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 0.30 -0.12 0.05 0.00 -0.00 0.00 0.00 29.99 30.22 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 1.14 1.01 0.32 2.41 3.38 -1.59 -1.97 115.31 120.01 2jan h LEU 51 Ca 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2jan h LEU 51 Cb 0.45 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jan h LEU 51 CO 0.00 0.93 -0.16 0.58 0.09 0.00 0.00 178.44 179.88 2jan h VAL 52 N 1.04 0.09 -0.83 1.22 2.07 -1.81 0.19 116.25 118.22 2jan h VAL 52 Ca 0.24 -0.71 0.11 0.00 0.82 0.00 0.00 66.70 67.15 2jan h VAL 52 Cb 0.25 0.15 -0.13 0.00 -1.52 0.00 0.00 31.29 30.04 2jan h VAL 52 CO -0.01 0.02 -0.46 -0.65 0.02 0.00 0.00 177.57 176.49 2jan h PRO 53 N -1.10 -0.09 -0.55 1.57 0.11 -1.86 0.38 132.00 130.46 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 0.37 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 0.33 -0.07 -0.21 0.00 0.00 178.00 178.07 2jan h LEU 54 N -0.09 0.55 -0.89 2.35 3.38 -1.37 -0.47 115.31 118.77 2jan h LEU 54 Ca 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 2jan h LEU 54 Cb 0.54 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2jan h LEU 54 CO -0.86 0.38 -0.03 -0.07 0.09 0.00 0.00 178.44 177.96 2jan h LEU 55 N 0.66 0.76 -0.95 1.67 3.38 0.07 -2.19 115.31 118.72 2jan h LEU 55 Ca 0.22 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2jan h LEU 55 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2jan h LEU 55 CO -0.09 0.85 -0.25 0.74 0.09 0.00 0.00 178.44 179.77 2jan h THR 56 N 0.73 1.26 -0.43 0.22 2.02 0.61 -1.00 112.91 116.33 2jan h THR 56 Ca 0.14 -1.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 2jan h THR 56 Cb 0.49 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2jan h THR 56 CO 0.02 0.40 0.20 -0.07 0.37 0.00 0.00 175.52 176.45 2jan h LEU 57 N 0.41 0.56 -0.87 2.58 3.38 -0.86 -2.11 115.31 118.41 2jan h LEU 57 Ca 0.06 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.03 2jan h LEU 57 Cb 0.67 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 2jan h LEU 57 CO 0.05 0.53 0.49 -0.09 0.09 0.00 0.00 178.44 179.51 2jan h ARG 58 N 0.55 0.72 -0.76 1.13 2.43 -0.76 -0.72 114.38 116.97 2jan h ARG 58 Ca 0.15 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2jan h ARG 58 Cb 0.12 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 2jan h ARG 58 CO -0.02 0.48 0.41 0.00 -1.51 0.00 0.00 179.97 179.33 2jan h ARG 59 N 0.74 1.07 -0.36 0.20 3.08 -0.83 -1.52 114.38 116.77 2jan h ARG 59 Ca 0.45 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.28 2jan h ARG 59 Cb 0.54 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2jan h ARG 59 CO -0.31 0.80 -0.14 0.74 -1.07 0.00 0.00 179.97 179.99 2jan h PHE 60 N 1.06 0.71 -0.30 3.04 0.04 -0.61 -2.56 116.94 118.32 2jan h PHE 60 Ca 0.27 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.80 2jan h PHE 60 Cb 0.05 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 2jan h PHE 60 CO 0.00 0.76 -0.22 0.37 -0.60 0.00 0.00 178.31 178.61 2jan h GLN 61 N 0.58 0.68 -0.28 1.51 4.15 -0.77 -0.75 115.11 120.22 2jan h GLN 61 Ca 0.10 -0.33 0.03 0.00 0.77 0.00 0.00 58.65 59.22 2jan h GLN 61 Cb 0.58 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 2jan h GLN 61 CO 0.04 0.93 0.10 0.00 -1.93 0.00 0.00 178.83 177.97 2jan h ARG 62 N 0.43 0.22 0.00 1.69 3.08 -1.18 0.15 114.38 118.77 2jan h ARG 62 Ca 0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2jan h ARG 62 Cb 0.77 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2jan h ARG 62 CO 0.06 0.15 0.00 0.00 -1.07 0.00 0.00 179.97 179.11 2jan n ALA 63 N -2.28 1.80 0.00 0.04 0.00 -0.97 -4.80 120.51 114.29 2jan n ALA 63 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2jan n ALA 63 Cb 0.10 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.44 1.00 4.00 0.00 0.00 0.52 -5.03 105.19 105.24 2jan n GLY 64 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 2.87 -0.19 1.61 3.76 -0.31 -4.63 115.29 116.41 2jan s HIS 65 Ca 0.00 -0.29 -0.07 0.00 -0.15 0.00 0.00 55.06 54.55 2jan s HIS 65 Cb 0.00 -2.39 -0.04 0.00 1.11 0.00 0.00 32.58 31.26 2jan s HIS 65 CO 0.00 -0.44 0.05 0.50 -0.85 0.00 0.00 174.74 174.00 2jan s ARG 66 N -4.40 3.90 -0.10 1.40 3.52 0.97 -3.98 118.95 120.26 2jan s ARG 66 Ca 0.54 -0.38 -0.09 0.00 -0.13 0.00 0.00 55.73 55.67 2jan s ARG 66 Cb -0.10 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 2jan s ARG 66 CO 0.34 0.21 0.20 -1.25 -0.81 0.00 0.00 175.30 173.99 2jan s PRO 67 N 0.53 3.63 -0.12 5.12 0.04 -1.26 0.80 135.00 143.74 2jan s PRO 67 Ca 0.02 -0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.07 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 -0.18 0.42 0.04 0.00 0.00 177.00 177.99 2jan s ILE 68 N -0.87 2.54 -0.40 0.56 1.01 0.21 -3.24 121.20 121.01 2jan s ILE 68 Ca 0.16 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 2jan s ILE 68 Cb -0.13 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.33 2jan s ILE 68 CO 0.05 0.54 0.38 -0.69 0.00 0.00 0.00 174.94 175.22 2jan s VAL 69 N 0.42 5.15 -0.43 2.92 1.01 -0.56 -2.08 120.40 126.82 2jan s VAL 69 Ca -0.14 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 2jan s VAL 69 Cb -0.17 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.28 2jan s VAL 69 CO 0.06 -0.31 0.60 -0.22 0.00 0.00 0.00 175.10 175.23 2jan s LEU 70 N 1.99 4.58 -0.14 3.92 2.96 -0.68 -0.77 118.68 130.54 2jan s LEU 70 Ca 0.10 -0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 53.30 2jan s LEU 70 Cb -0.17 -2.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 2jan s LEU 70 CO 0.12 -0.74 1.26 0.00 -1.32 0.00 0.00 176.35 175.67 2jan s ALA 71 N 2.67 3.63 -1.45 5.97 0.00 0.13 -1.40 121.76 131.30 2jan s ALA 71 Ca 0.20 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 2jan s ALA 71 Cb -0.15 -3.60 0.04 0.00 0.00 0.00 0.00 23.12 19.41 2jan s ALA 71 CO 0.18 -1.09 2.33 0.41 0.00 0.00 0.00 175.76 177.58 2jan n GLY 72 N 3.57 4.50 0.26 0.00 0.00 0.44 -1.68 105.19 112.28 2jan n GLY 72 Ca 0.13 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.41 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 8.75 0.74 -0.08 -0.02 0.00 -1.92 -2.89 103.07 107.64 2jan h GLY 73 Ca 0.61 -0.59 0.06 0.00 0.00 0.00 0.00 47.33 47.42 2jan h GLY 73 CO 1.80 0.54 -0.36 0.00 0.00 0.00 0.00 176.54 178.51 2jan h ALA 74 N 1.19 -0.35 -0.46 3.60 0.00 -1.85 -0.68 119.26 120.71 2jan h ALA 74 Ca 0.09 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2jan h ALA 74 Cb 0.65 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2jan h ALA 74 CO 0.05 -0.81 -0.07 1.15 0.00 0.00 0.00 179.25 179.57 2jan h THR 75 N -0.35 1.27 -0.96 0.00 2.02 -1.96 -1.74 112.91 111.19 2jan h THR 75 Ca 0.13 -1.16 0.19 0.00 0.77 0.00 0.00 66.41 66.33 2jan h THR 75 Cb 0.57 1.09 -0.09 0.00 -1.74 0.00 0.00 68.15 67.98 2jan h THR 75 CO -0.48 0.40 0.61 1.23 0.37 0.00 0.00 175.52 177.65 2jan h GLY 76 N 0.69 1.34 1.70 2.16 0.00 -1.21 2.67 103.07 110.44 2jan h GLY 76 Ca 0.12 -0.29 -0.26 0.00 0.00 0.00 0.00 47.33 46.91 2jan h GLY 76 CO 0.04 -0.01 -1.16 1.98 0.00 0.00 0.00 176.54 177.38 2jan h MET 77 N 0.63 0.23 0.00 4.80 -1.53 -0.82 -3.27 114.93 114.96 2jan h MET 77 Ca 0.52 -0.37 -0.22 0.00 -3.44 0.00 0.00 59.70 56.19 2jan h MET 77 Cb 0.97 0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 32.13 2jan h MET 77 CO -0.27 1.16 -1.11 0.82 0.14 0.00 0.00 176.91 177.65 2jan h ILE 78 N 0.07 1.52 0.45 1.77 2.04 -0.58 -3.46 117.51 119.32 2jan h ILE 78 Ca -0.10 -3.24 -0.02 0.00 1.00 0.00 0.00 64.86 62.50 2jan h ILE 78 Cb 1.89 2.75 -0.00 0.00 -0.74 0.00 0.00 36.82 40.71 2jan h ILE 78 CO 0.19 0.87 -0.30 1.23 0.00 0.00 0.00 178.15 180.13 2jan h GLY 79 N 3.12 -0.95 0.00 5.37 0.00 0.46 -3.50 103.07 107.57 2jan h GLY 79 Ca -0.06 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2jan h GLY 79 CO 0.12 -0.32 0.00 1.22 0.00 0.00 0.00 176.54 177.56 2jan n ASP 80 N -4.19 0.00 0.00 0.19 8.00 -1.26 -5.05 116.55 114.24 2jan n ASP 80 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2jan n ASP 80 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2jan n ASP 80 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2jan n THR 94 N 0.00 0.00 0.16 -3.53 -1.04 -1.26 -5.07 114.28 103.53 2jan n THR 94 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 2jan n THR 94 Cb 0.00 0.00 0.16 0.00 -1.82 0.00 0.00 70.33 68.67 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 0.90 -0.24 12.58 2.07 -2.00 0.16 116.25 129.73 2jan h VAL 95 Ca 0.00 -1.97 -0.17 0.00 0.82 0.00 0.00 66.70 65.38 2jan h VAL 95 Cb 0.00 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2jan h VAL 95 CO 0.00 0.46 -0.53 0.00 0.02 0.00 0.00 177.57 177.52 2jan h ALA 96 N 1.53 0.39 -0.30 1.67 0.00 -2.01 -3.18 119.26 117.36 2jan h ALA 96 Ca -0.00 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.44 2jan h ALA 96 Cb 1.19 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2jan h ALA 96 CO 0.06 0.59 0.09 0.93 0.00 0.00 0.00 179.25 180.92 2jan h GLU 97 N 0.54 0.20 -0.38 0.00 4.39 -1.85 -2.89 114.58 114.60 2jan h GLU 97 Ca 0.00 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.77 2jan h GLU 97 Cb 1.14 -0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.66 2jan h GLU 97 CO 0.12 0.13 -0.23 2.35 -1.16 0.00 0.00 179.01 180.23 2jan h TRP 98 N 0.21 -0.59 -0.60 4.33 7.01 -0.76 -1.71 115.95 123.84 2jan h TRP 98 Ca 0.14 0.05 0.10 0.00 2.11 0.00 0.00 58.89 61.28 2jan h TRP 98 Cb 0.12 0.32 -0.11 0.00 -2.10 0.00 0.00 29.16 27.38 2jan h TRP 98 CO -0.15 -0.30 -0.38 1.15 -2.79 0.00 0.00 178.44 175.97 2jan h THR 99 N -0.17 0.12 0.00 2.65 2.02 -1.49 0.20 112.91 116.25 2jan h THR 99 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 2jan h THR 99 Cb 0.45 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2jan h THR 99 CO -0.48 0.00 -0.02 -0.33 0.37 0.00 0.00 175.52 175.06 2jan h GLU 100 N -0.19 0.00 -0.06 6.66 3.07 -1.51 1.17 114.58 123.72 2jan h GLU 100 Ca 0.21 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.93 2jan h GLU 100 Cb 0.56 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2jan h GLU 100 CO -0.69 0.02 -0.60 -0.09 -1.40 0.00 0.00 179.01 176.24 2jan h ARG 101 N 0.00 0.19 0.01 2.33 2.43 -0.06 -3.35 114.38 115.93 2jan h ARG 101 Ca -0.00 -0.13 -0.36 0.00 -0.81 0.00 0.00 59.98 58.68 2jan h ARG 101 Cb 0.73 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 2jan h ARG 101 CO 0.00 0.74 -2.23 -0.89 -1.51 0.00 0.00 179.97 176.08 2jan n ILE 102 N -3.86 1.49 -0.32 1.20 2.08 0.51 -4.58 119.36 115.89 2jan n ILE 102 Ca -0.02 -0.77 0.19 0.00 0.56 0.00 0.00 62.75 62.71 2jan n ILE 102 Cb 0.61 -0.88 0.45 0.00 -0.75 0.00 0.00 39.64 39.07 2jan n ILE 102 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 2jan h ARG 103 N 0.01 0.50 -0.55 0.38 2.43 0.12 0.48 114.38 117.74 2jan h ARG 103 Ca -0.49 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.71 2jan h ARG 103 Cb 2.11 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 31.50 2jan h ARG 103 CO 0.02 0.33 0.27 0.78 -1.51 0.00 0.00 179.97 179.86 2jan h GLY 104 N 0.51 0.78 0.46 2.80 0.00 -1.81 -1.80 103.07 104.01 2jan h GLY 104 Ca 0.57 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 2jan h GLY 104 CO -0.31 0.09 -0.17 1.46 0.00 0.00 0.00 176.54 177.61 2jan h GLN 105 N 0.51 -0.46 -0.96 4.80 4.20 -0.43 -3.27 115.11 119.50 2jan h GLN 105 Ca 0.25 0.03 0.27 0.00 0.06 0.00 0.00 58.65 59.26 2jan h GLN 105 Cb 0.19 0.10 -0.14 0.00 0.30 0.00 0.00 27.48 27.94 2jan h GLN 105 CO -0.19 -0.18 0.50 -0.07 -0.67 0.00 0.00 178.83 178.22 2jan h LEU 106 N -1.03 0.46 -1.85 1.46 3.38 -1.04 0.38 115.31 117.06 2jan h LEU 106 Ca -0.05 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2jan h LEU 106 Cb 0.49 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2jan h LEU 106 CO 0.08 -0.04 -0.11 -0.33 0.09 0.00 0.00 178.44 178.13 2jan h GLU 107 N 0.40 0.00 0.00 1.13 5.08 -1.39 -1.39 114.58 118.41 2jan h GLU 107 Ca 0.65 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 59.00 2jan h GLU 107 Cb 1.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 2jan h GLU 107 CO -0.56 0.11 -0.01 0.00 -1.00 0.00 0.00 179.01 177.55 2jan h ARG 108 N 0.00 0.00 0.00 2.33 2.47 -0.96 -3.32 114.38 114.90 2jan h ARG 108 Ca -0.00 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 2jan h ARG 108 Cb 0.22 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 2jan h ARG 108 CO 0.01 0.01 -1.43 1.19 0.56 0.00 0.00 179.97 180.32 2jan n PHE 109 N -4.38 0.31 -4.33 3.04 3.01 -0.63 -4.95 117.46 109.53 2jan n PHE 109 Ca -0.03 0.13 -0.24 0.00 1.01 0.00 0.00 57.45 58.32 2jan n PHE 109 Cb 0.10 -0.79 -0.08 0.00 -0.01 0.00 0.00 39.48 38.70 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 -2.59 3.19 -0.21 -4.37 -7.23 -0.62 -4.55 120.40 104.01 2jan s VAL 110 Ca -0.30 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 57.83 2jan s VAL 110 Cb 0.07 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2jan s VAL 110 CO 0.43 -0.32 0.10 -1.81 -0.31 0.00 0.00 175.10 173.19 2jan s ASP 111 N -3.45 5.80 -0.48 4.85 1.01 -1.26 -4.19 116.67 118.93 2jan s ASP 111 Ca 0.30 0.08 -0.12 0.00 0.71 0.00 0.00 52.55 53.51 2jan s ASP 111 Cb -0.07 -2.02 0.11 0.00 1.01 0.00 0.00 42.92 41.96 2jan s ASP 111 CO 0.18 0.12 0.39 -0.36 0.21 0.00 0.00 175.17 175.70 2jan s PHE 112 N 0.72 3.34 0.43 4.23 0.40 -1.26 0.95 117.98 126.78 2jan s PHE 112 Ca 0.05 -1.53 0.03 0.00 -0.60 0.00 0.00 56.93 54.89 2jan s PHE 112 Cb -0.13 -3.47 -0.03 0.00 0.51 0.00 0.00 43.02 39.90 2jan s PHE 112 CO 0.02 -0.96 0.06 0.16 0.70 0.00 0.00 175.22 175.20 2jan s ASP 113 N 2.87 3.30 -1.01 1.36 1.47 -1.26 -4.91 116.67 118.49 2jan s ASP 113 Ca 0.04 -1.60 -0.01 0.00 1.18 0.00 0.00 52.55 52.17 2jan s ASP 113 Cb -0.27 0.34 0.32 0.00 -0.34 0.00 0.00 42.92 42.98 2jan s ASP 113 CO 0.02 -0.81 1.76 -0.90 0.68 0.00 0.00 175.17 175.92 2jan n ASP 114 N -1.17 7.16 -0.86 2.11 5.75 -1.26 -4.63 116.55 123.65 2jan n ASP 114 Ca -0.10 -3.68 0.00 0.00 -0.01 0.00 0.00 54.79 51.00 2jan n ASP 114 Cb 0.66 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 2jan n ASP 114 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2jan n SER 115 N -0.01 0.00 0.05 -1.12 3.41 -1.26 -5.07 113.62 109.62 2jan n SER 115 Ca 0.45 -0.86 -0.16 0.00 -0.26 0.00 0.00 58.87 58.05 2jan n SER 115 Cb 0.27 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.54 -0.48 4.33 0.13 -2.03 -3.24 132.00 131.26 2jan h PRO 116 Ca 0.00 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2jan h PRO 116 Cb 0.00 0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.29 2jan h PRO 116 CO 0.00 1.19 0.00 -1.33 -0.23 0.00 0.00 178.00 177.63 2jan n MET 117 N -3.80 2.23 -1.87 0.86 2.81 -1.26 -4.85 117.12 111.23 2jan n MET 117 Ca -0.08 -1.89 -0.38 0.00 -1.81 0.00 0.00 57.70 53.54 2jan n MET 117 Cb 0.84 -1.43 0.03 0.00 -0.71 0.00 0.00 33.22 31.95 2jan n MET 117 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2jan s GLY 118 N -1.14 2.86 1.13 3.03 0.00 -1.23 -4.42 107.32 107.56 2jan s GLY 118 Ca 0.36 1.25 -0.15 0.00 0.00 0.00 0.00 44.72 46.18 2jan s GLY 118 CO 0.26 1.75 1.06 0.00 0.00 0.00 0.00 173.10 176.17 2jan s ALA 119 N -1.36 0.28 -0.30 3.20 0.00 0.27 -4.59 121.76 119.26 2jan s ALA 119 Ca 0.71 -0.47 -0.15 0.00 0.00 0.00 0.00 51.96 52.04 2jan s ALA 119 Cb -0.38 -3.09 0.18 0.00 0.00 0.00 0.00 23.12 19.83 2jan s ALA 119 CO 0.45 -3.46 1.10 -1.50 0.00 0.00 0.00 175.76 172.35 2jan s ILE 120 N -2.78 -0.30 -0.32 0.00 2.07 -1.20 -4.64 121.20 114.04 2jan s ILE 120 Ca 0.68 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.72 2jan s ILE 120 Cb -0.18 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.40 2jan s ILE 120 CO 0.59 0.00 0.59 -0.69 -1.91 0.00 0.00 174.94 173.52 2jan s VAL 121 N 2.59 4.97 0.29 4.00 1.01 -1.26 -1.50 120.40 130.50 2jan s VAL 121 Ca -0.02 0.71 0.06 0.00 0.00 0.00 0.00 61.98 62.74 2jan s VAL 121 Cb -0.07 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2jan s VAL 121 CO -0.14 -0.15 0.42 -1.61 0.00 0.00 0.00 175.10 173.63 2jan s GLU 122 N 2.54 3.27 -0.15 2.72 0.41 0.05 -4.96 118.70 122.57 2jan s GLU 122 Ca 0.23 -0.89 -0.00 0.00 -0.41 0.00 0.00 54.97 53.90 2jan s GLU 122 Cb -0.15 -2.85 0.03 0.00 -1.78 0.00 0.00 34.13 29.38 2jan s GLU 122 CO 0.12 0.23 -0.08 1.21 -0.49 0.00 0.00 175.26 176.25 2jan s ASN 123 N -4.08 2.61 0.00 -0.19 2.47 -1.26 0.18 114.94 114.66 2jan s ASN 123 Ca 0.40 -0.52 0.17 0.00 0.42 0.00 0.00 52.86 53.32 2jan s ASN 123 Cb -0.09 -0.95 0.88 0.00 -1.45 0.00 0.00 41.25 39.64 2jan s ASN 123 CO 0.30 -0.14 1.46 -0.46 -3.72 0.00 0.00 177.10 174.54 2jan n ASN 124 N 4.87 0.00 0.22 -4.21 6.94 -0.68 -1.58 115.26 120.83 2jan n ASN 124 Ca -0.13 -0.11 0.07 0.00 -0.02 0.00 0.00 54.58 54.39 2jan n ASN 124 Cb 0.49 -0.21 0.51 0.00 -2.36 0.00 0.00 39.78 38.21 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 -1.56 -4.53 3.38 -1.91 -1.33 115.31 109.36 2jan h LEU 125 Ca 0.00 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.26 2jan h LEU 125 Cb 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 2jan h LEU 125 CO 0.00 0.24 0.72 -0.33 0.09 0.00 0.00 178.44 179.17 2jan h GLU 126 N 0.00 0.25 0.00 1.13 4.39 -1.70 -0.20 114.58 118.44 2jan h GLU 126 Ca -0.00 -0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.47 2jan h GLU 126 Cb 0.49 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2jan h GLU 126 CO 0.03 0.17 -1.77 -2.67 -1.16 0.00 0.00 179.01 173.61 2jan n TRP 127 N -4.49 0.00 -0.04 4.33 2.14 -1.17 -4.72 117.44 113.49 2jan n TRP 127 Ca 0.25 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.80 2jan n TRP 127 Cb 1.00 -0.51 0.23 0.00 -0.81 0.00 0.00 31.31 31.22 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 -0.20 1.23 -0.59 -1.67 2.02 -1.23 -3.16 112.91 109.30 2jan h THR 128 Ca -0.32 -0.96 0.15 0.00 0.77 0.00 0.00 66.41 66.05 2jan h THR 128 Cb 1.40 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 2jan h THR 128 CO -0.11 0.32 0.41 1.23 0.37 0.00 0.00 175.52 177.74 2jan h GLY 129 N 0.92 0.24 -1.66 2.16 0.00 -1.22 -1.23 103.07 102.28 2jan h GLY 129 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2jan h GLY 129 CO 0.02 0.03 0.00 -1.14 0.00 0.00 0.00 176.54 175.45 2jan n SER 130 N -4.41 3.57 -4.62 0.19 3.41 -1.20 -4.97 113.62 105.59 2jan n SER 130 Ca 0.11 -2.47 -0.42 0.00 -0.26 0.00 0.00 58.87 55.84 2jan n SER 130 Cb 0.56 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 2jan n SER 130 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2jan s LEU 131 N -1.84 4.08 0.62 1.04 2.96 -0.47 -5.05 118.68 120.03 2jan s LEU 131 Ca 0.35 0.78 -0.15 0.00 -0.22 0.00 0.00 54.13 54.88 2jan s LEU 131 Cb 0.24 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 2jan s LEU 131 CO 0.14 -0.54 1.07 -0.94 -1.32 0.00 0.00 176.35 174.76 2jan s SER 132 N 1.51 5.58 0.23 3.68 1.04 -1.26 -4.91 113.70 119.57 2jan s SER 132 Ca 0.32 1.82 -0.07 0.00 0.48 0.00 0.00 55.95 58.50 2jan s SER 132 Cb -0.15 -2.53 0.39 0.00 0.10 0.00 0.00 66.02 63.83 2jan s SER 132 CO 0.10 -1.31 1.70 0.00 0.98 0.00 0.00 173.24 174.72 2jan h ALA 133 N 0.17 0.87 -0.55 5.32 0.00 -1.99 -1.94 119.26 121.13 2jan h ALA 133 Ca -0.46 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2jan h ALA 133 Cb 1.22 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 2jan h ALA 133 CO 0.57 -0.30 -0.02 0.82 0.00 0.00 0.00 179.25 180.32 2jan h ILE 134 N 0.30 1.27 -0.23 0.00 2.04 -1.99 -1.36 117.51 117.54 2jan h ILE 134 Ca 0.37 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2jan h ILE 134 Cb 0.58 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2jan h ILE 134 CO -0.44 0.41 0.15 -0.33 0.00 0.00 0.00 178.15 177.93 2jan h GLU 135 N 0.86 0.31 -0.30 2.37 5.08 -1.89 -0.94 114.58 120.07 2jan h GLU 135 Ca 0.15 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 2jan h GLU 135 Cb 0.56 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 2jan h GLU 135 CO 0.03 0.22 -0.26 0.35 -1.00 0.00 0.00 179.01 178.35 2jan h PHE 136 N 0.30 -0.71 -0.14 4.33 3.57 -1.13 0.24 116.94 123.40 2jan h PHE 136 Ca 0.08 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 2jan h PHE 136 Cb -0.01 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2jan h PHE 136 CO -0.06 -0.34 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.17 2jan h LEU 137 N -0.24 0.37 0.00 0.59 3.38 -1.17 0.20 115.31 118.44 2jan h LEU 137 Ca 0.15 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2jan h LEU 137 Cb 0.49 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2jan h LEU 137 CO -0.44 0.78 -0.51 -0.09 0.09 0.00 0.00 178.44 178.27 2jan h ARG 138 N 0.29 0.00 0.00 1.13 2.43 -0.65 -3.12 114.38 114.46 2jan h ARG 138 Ca 0.02 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2jan h ARG 138 Cb 0.91 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 2jan h ARG 138 CO 0.08 0.43 -1.43 -0.25 -1.51 0.00 0.00 179.97 177.28 2jan n ASP 139 N -4.60 0.68 -0.08 -3.80 8.00 0.81 -3.79 116.55 113.76 2jan n ASP 139 Ca -0.13 0.28 -0.09 0.00 0.71 0.00 0.00 54.79 55.57 2jan n ASP 139 Cb 0.35 0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 41.99 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 -2.73 1.45 0.21 0.53 5.41 -1.11 -4.73 119.36 118.39 2jan n ILE 140 Ca -0.08 0.16 0.17 0.00 1.00 0.00 0.00 62.75 64.01 2jan n ILE 140 Cb 0.73 -2.31 0.83 0.00 -0.71 0.00 0.00 39.64 38.19 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 -0.95 0.00 2.00 7.39 0.00 -0.62 -1.15 103.07 109.74 2jan h GLY 141 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2jan h GLY 141 CO 0.00 0.00 -0.19 1.70 0.00 0.00 0.00 176.54 178.05 2jan h LYS 142 N 0.00 0.00 -0.13 4.80 1.63 -1.64 -2.67 116.57 118.57 2jan h LYS 142 Ca 0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 2jan h LYS 142 Cb 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2jan h LYS 142 CO -0.00 0.19 0.00 0.72 -3.45 0.00 0.00 179.45 176.91 2jan n HIS 143 N -3.36 0.17 -4.96 1.91 8.25 -0.44 -4.86 115.22 111.93 2jan n HIS 143 Ca 0.00 -0.08 -0.29 0.00 -0.26 0.00 0.00 57.72 57.09 2jan n HIS 143 Cb 0.40 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.83 2.09 -0.25 4.41 0.40 -1.01 -5.02 117.98 116.77 2jan s PHE 144 Ca 0.16 -0.82 -0.12 0.00 -0.60 0.00 0.00 56.93 55.56 2jan s PHE 144 Cb 0.08 -1.43 -0.05 0.00 0.51 0.00 0.00 43.02 42.13 2jan s PHE 144 CO 0.12 -0.35 0.23 0.45 0.70 0.00 0.00 175.22 176.37 2jan s SER 145 N 0.44 6.16 0.23 1.36 0.15 -1.26 -4.99 113.70 115.78 2jan s SER 145 Ca -0.16 0.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.59 2jan s SER 145 Cb -0.17 -2.14 0.39 0.00 -1.71 0.00 0.00 66.02 62.40 2jan s SER 145 CO 0.07 -0.01 1.72 0.58 1.20 0.00 0.00 173.24 176.79 2jan h VAL 146 N 5.14 0.64 -0.08 4.45 2.07 -1.99 -1.73 116.25 124.74 2jan h VAL 146 Ca -0.36 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2jan h VAL 146 Cb 1.17 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2jan h VAL 146 CO 0.64 0.06 -0.13 0.78 0.02 0.00 0.00 177.57 178.95 2jan h ASN 147 N 0.35 -0.39 -0.35 0.57 2.35 -1.99 -0.55 115.58 115.58 2jan h ASN 147 Ca 0.37 0.07 0.04 0.00 -0.55 0.00 0.00 56.30 56.24 2jan h ASN 147 Cb 0.57 0.18 -0.04 0.00 0.05 0.00 0.00 38.32 39.08 2jan h ASN 147 CO -0.41 -0.17 0.12 0.58 -1.65 0.00 0.00 177.43 175.89 2jan h VAL 148 N -0.17 0.89 0.28 2.81 2.07 -1.73 0.25 116.25 120.65 2jan h VAL 148 Ca 0.07 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2jan h VAL 148 Cb 0.28 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2jan h VAL 148 CO -0.19 0.05 -0.31 0.24 0.02 0.00 0.00 177.57 177.38 2jan h MET 149 N 0.26 -0.61 -0.96 1.57 2.86 -0.98 -1.25 114.93 115.83 2jan h MET 149 Ca 0.16 0.04 0.18 0.00 -2.06 0.00 0.00 59.70 58.02 2jan h MET 149 Cb 0.14 0.14 -0.09 0.00 0.06 0.00 0.00 31.60 31.85 2jan h MET 149 CO -0.17 -0.41 0.61 -0.07 1.06 0.00 0.00 176.91 177.93 2jan h LEU 150 N -0.63 0.67 -5.36 1.22 3.38 -0.85 -3.34 115.31 110.41 2jan h LEU 150 Ca -0.01 0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 2jan h LEU 150 Cb 0.59 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2jan h LEU 150 CO -0.08 0.28 1.45 0.00 0.09 0.00 0.00 178.44 180.18 2jan n ALA 151 N -2.40 3.15 -3.69 1.53 0.00 0.87 -4.17 120.51 115.79 2jan n ALA 151 Ca 0.21 -1.04 -0.11 0.00 0.00 0.00 0.00 53.44 52.50 2jan n ALA 151 Cb 0.57 -2.65 -0.11 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 3.51 0.39 0.40 0.00 0.52 -1.25 -4.97 118.95 117.55 2jan s ARG 152 Ca 0.24 0.77 0.10 0.00 -0.52 0.00 0.00 55.73 56.33 2jan s ARG 152 Cb 0.08 -0.03 0.91 0.00 0.52 0.00 0.00 34.95 36.43 2jan s ARG 152 CO -0.01 -0.16 1.97 -0.44 0.02 0.00 0.00 175.30 176.68 2jan h ASP 153 N 7.11 0.49 0.89 0.23 5.19 -1.94 0.56 116.42 128.95 2jan h ASP 153 Ca -0.37 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.01 2jan h ASP 153 Cb 1.18 -0.10 0.01 0.00 0.18 0.00 0.00 39.33 40.60 2jan h ASP 153 CO 0.30 0.30 -0.46 0.74 -3.12 0.00 0.00 179.24 177.01 2jan h THR 154 N 0.55 0.08 -0.20 0.35 2.02 -1.96 0.02 112.91 113.76 2jan h THR 154 Ca 0.30 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.32 2jan h THR 154 Cb 0.44 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2jan h THR 154 CO -0.09 0.00 -0.54 0.40 0.37 0.00 0.00 175.52 175.66 2jan h ILE 155 N -1.23 1.32 -0.44 3.11 2.04 -1.82 -2.38 117.51 118.11 2jan h ILE 155 Ca -0.12 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 63.93 2jan h ILE 155 Cb 0.95 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 2jan h ILE 155 CO 0.18 0.55 0.13 -0.09 0.00 0.00 0.00 178.15 178.92 2jan h ARG 156 N 0.45 0.64 -0.08 2.37 2.43 0.13 0.62 114.38 120.95 2jan h ARG 156 Ca 0.01 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2jan h ARG 156 Cb 1.08 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2jan h ARG 156 CO 0.10 0.57 -0.01 0.00 -1.51 0.00 0.00 179.97 179.12 2jan h ARG 157 N 0.63 0.14 -0.43 0.20 3.08 -0.87 -1.45 114.38 115.68 2jan h ARG 157 Ca 0.15 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2jan h ARG 157 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2jan h ARG 157 CO -0.01 0.45 0.13 0.00 -1.07 0.00 0.00 179.97 179.47 2jan h ARG 158 N -0.18 0.63 -0.58 0.04 3.08 -1.02 0.79 114.38 117.14 2jan h ARG 158 Ca 0.02 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 2jan h ARG 158 Cb 0.39 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2jan h ARG 158 CO 0.01 0.56 0.15 -0.07 -1.07 0.00 0.00 179.97 179.54 2jan h LEU 159 N 0.62 0.88 -0.25 3.04 3.38 0.28 0.49 115.31 123.76 2jan h LEU 159 Ca 0.15 -0.23 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 2jan h LEU 159 Cb 0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2jan h LEU 159 CO -0.01 0.88 -0.89 0.00 0.09 0.00 0.00 178.44 178.51 2jan h ALA 160 N 1.03 0.53 -3.00 1.53 0.00 -0.78 -3.40 119.26 115.18 2jan h ALA 160 Ca 0.18 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2jan h ALA 160 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jan h ALA 160 CO 0.00 1.04 0.00 0.41 0.00 0.00 0.00 179.25 180.70 2jan n GLY 161 N 0.98 0.83 0.24 0.00 0.00 0.27 -4.83 105.19 102.67 2jan n GLY 161 Ca -0.02 0.00 0.06 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 1.31 0.00 1.61 4.71 -1.21 -5.00 120.64 122.05 2jan n GLU 162 Ca 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 57.16 56.68 2jan n GLU 162 Cb 0.00 -1.21 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 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 0.81 -2.30 2.97 0.62 0.00 0.16 -5.03 105.19 102.42 2jan n GLY 163 Ca 0.09 -1.46 -0.21 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.13 0.77 0.77 -0.61 2.07 -1.26 -4.79 121.20 115.03 2jan s ILE 164 Ca 0.00 -0.31 -0.11 0.00 -1.41 0.00 0.00 60.65 58.82 2jan s ILE 164 Cb 0.00 -0.72 0.05 0.00 0.13 0.00 0.00 42.46 41.92 2jan s ILE 164 CO 0.00 0.26 1.09 -0.94 -1.91 0.00 0.00 174.94 173.44 2jan s SER 165 N 0.51 4.79 0.48 4.50 1.04 -1.26 -4.90 113.70 118.86 2jan s SER 165 Ca -0.08 1.28 0.21 0.00 0.48 0.00 0.00 55.95 57.84 2jan s SER 165 Cb -0.12 -2.04 1.23 0.00 0.10 0.00 0.00 66.02 65.19 2jan s SER 165 CO 0.01 -1.78 2.03 0.22 0.98 0.00 0.00 173.24 174.70 2jan h TYR 166 N -0.96 0.00 0.11 5.02 5.03 -2.01 -1.00 116.97 123.17 2jan h TYR 166 Ca -0.46 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 60.84 2jan h TYR 166 Cb 1.26 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.54 2jan h TYR 166 CO 0.48 0.16 -0.05 1.15 -1.32 0.00 0.00 178.16 178.58 2jan h THR 167 N 0.00 1.09 -0.75 1.81 2.02 -1.99 -2.61 112.91 112.48 2jan h THR 167 Ca -0.00 -1.14 0.15 0.00 0.77 0.00 0.00 66.41 66.18 2jan h THR 167 Cb 0.33 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 2jan h THR 167 CO 0.02 0.26 0.50 -0.33 0.37 0.00 0.00 175.52 176.34 2jan h GLU 168 N -0.72 0.41 0.00 6.66 5.08 -1.89 0.64 114.58 124.75 2jan h GLU 168 Ca -0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2jan h GLU 168 Cb 0.54 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2jan h GLU 168 CO 0.03 0.27 -0.11 0.35 -1.00 0.00 0.00 179.01 178.54 2jan h PHE 169 N 0.42 0.00 0.00 4.33 3.57 -1.13 -3.29 116.94 120.84 2jan h PHE 169 Ca 0.37 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.57 2jan h PHE 169 Cb 0.83 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 2jan h PHE 169 CO -0.00 0.11 -1.73 0.43 -2.23 0.00 0.00 178.31 174.89 2jan n SER 170 N -3.25 0.84 -0.16 0.41 7.64 0.19 -4.23 113.62 115.05 2jan n SER 170 Ca 0.00 0.40 0.02 0.00 1.01 0.00 0.00 58.87 60.31 2jan n SER 170 Cb 0.37 -0.03 0.05 0.00 -1.01 0.00 0.00 64.21 63.59 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 -3.03 0.13 -0.28 1.43 9.36 -1.04 0.87 117.16 124.59 2jan n TYR 171 Ca -0.17 0.54 0.05 0.00 3.32 0.00 0.00 57.90 61.63 2jan n TYR 171 Cb 1.06 -0.74 0.14 0.00 -0.63 0.00 0.00 39.34 39.17 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 -0.60 -0.32 2.98 7.12 -1.82 0.13 115.31 122.81 2jan h LEU 172 Ca 0.20 0.23 -0.03 0.00 0.13 0.00 0.00 57.88 58.42 2jan h LEU 172 Cb 0.31 0.45 -0.01 0.00 -0.53 0.00 0.00 40.66 40.88 2jan h LEU 172 CO -0.45 -0.25 0.10 -0.07 -0.13 0.00 0.00 178.44 177.63 2jan h LEU 173 N 0.03 0.47 -0.34 2.25 4.07 0.19 0.23 115.31 122.21 2jan h LEU 173 Ca 0.42 -0.21 0.01 0.00 0.08 0.00 0.00 57.88 58.19 2jan h LEU 173 Cb 0.71 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.31 2jan h LEU 173 CO -0.79 0.55 0.20 -0.07 -1.08 0.00 0.00 178.44 177.25 2jan h LEU 174 N 0.36 0.32 -0.95 1.67 3.38 -1.24 -0.75 115.31 118.11 2jan h LEU 174 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2jan h LEU 174 Cb 0.26 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 2jan h LEU 174 CO -0.00 0.23 0.57 -0.61 0.09 0.00 0.00 178.44 178.73 2jan h GLN 175 N 0.41 1.29 0.19 1.13 5.75 -0.57 -0.89 115.11 122.42 2jan h GLN 175 Ca 0.13 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2jan h GLN 175 Cb 0.00 -0.27 0.00 0.00 1.07 0.00 0.00 27.48 28.28 2jan h GLN 175 CO -0.06 0.90 -0.09 0.00 -2.65 0.00 0.00 178.83 176.93 2jan h ALA 176 N 1.32 -0.25 -0.87 3.38 0.00 -0.67 -2.86 119.26 119.31 2jan h ALA 176 Ca 0.34 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.30 2jan h ALA 176 Cb -0.06 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 2jan h ALA 176 CO -0.06 -0.55 0.42 -0.97 0.00 0.00 0.00 179.25 178.08 2jan h ASN 177 N -0.43 0.45 -0.83 0.00 -1.24 -0.74 0.03 115.58 112.83 2jan h ASN 177 Ca -0.03 0.12 0.18 0.00 0.71 0.00 0.00 56.30 57.28 2jan h ASN 177 Cb 0.33 0.06 -0.11 0.00 0.73 0.00 0.00 38.32 39.32 2jan h ASN 177 CO 0.04 0.14 0.34 0.44 -1.29 0.00 0.00 177.43 177.09 2jan h ASP 178 N 0.54 0.28 -0.30 1.15 5.19 -0.94 0.61 116.42 122.94 2jan h ASP 178 Ca 0.50 0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 57.01 2jan h ASP 178 Cb 0.81 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 2jan h ASP 178 CO -0.43 0.05 0.06 0.22 -3.12 0.00 0.00 179.24 176.02 2jan h TYR 179 N 0.42 0.52 -0.63 4.55 5.03 -0.92 0.00 116.97 125.95 2jan h TYR 179 Ca 0.49 -0.07 0.03 0.00 2.58 0.00 0.00 58.73 61.76 2jan h TYR 179 Cb 0.84 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 38.93 2jan h TYR 179 CO -0.16 0.57 0.38 0.28 -1.32 0.00 0.00 178.16 177.91 2jan h VAL 180 N 0.32 1.07 -0.07 1.81 2.07 -1.08 -0.05 116.25 120.32 2jan h VAL 180 Ca 0.09 -0.26 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 2jan h VAL 180 Cb 0.32 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2jan h VAL 180 CO 0.00 0.14 -0.69 -0.08 0.02 0.00 0.00 177.57 176.96 2jan h GLU 181 N 0.75 0.35 -0.07 1.57 4.57 -0.73 -1.83 114.58 119.19 2jan h GLU 181 Ca 0.25 -0.27 -0.17 0.00 -1.18 0.00 0.00 59.36 57.99 2jan h GLU 181 Cb 0.03 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2jan h GLU 181 CO -0.11 0.91 -0.67 -0.07 -1.18 0.00 0.00 179.01 177.89 2jan h LEU 182 N 0.24 0.37 -0.42 1.64 3.38 -0.73 -2.04 115.31 117.76 2jan h LEU 182 Ca -0.02 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 2jan h LEU 182 Cb 1.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2jan h LEU 182 CO 0.12 0.94 -0.07 -0.74 0.09 0.00 0.00 178.44 178.77 2jan h HIS 183 N 0.23 0.88 0.20 1.13 2.76 -0.92 -0.33 115.15 119.10 2jan h HIS 183 Ca -0.02 -0.18 -0.01 0.00 -2.20 0.00 0.00 60.37 57.96 2jan h HIS 183 Cb 1.22 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.96 2jan h HIS 183 CO 0.03 0.89 -0.10 -0.09 -1.30 0.00 0.00 177.93 177.37 2jan h ARG 184 N 0.62 -0.26 0.00 5.26 2.43 -1.36 -1.97 114.38 119.10 2jan h ARG 184 Ca 0.11 0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 2jan h ARG 184 Cb 0.59 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2jan h ARG 184 CO 0.04 -0.15 -0.82 0.00 -1.51 0.00 0.00 179.97 177.52 2jan h ARG 185 N -0.30 0.00 0.00 0.20 3.08 -1.35 -3.38 114.38 112.63 2jan h ARG 185 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2jan h ARG 185 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2jan h ARG 185 CO 0.05 0.82 -0.40 0.72 -1.07 0.00 0.00 179.97 180.09 2jan n HIS 186 N -3.34 0.00 -2.13 3.04 8.25 -0.14 -5.00 115.22 115.89 2jan n HIS 186 Ca 0.00 -0.13 -0.20 0.00 -0.26 0.00 0.00 57.72 57.14 2jan n HIS 186 Cb 0.85 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.87 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 -0.18 0.27 3.73 -1.41 0.00 -0.74 -4.87 105.19 101.98 2jan n GLY 187 Ca 0.02 0.00 -0.42 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 3.17 0.00 -3.86 0.00 -2.24 -1.08 -4.27 114.28 106.01 2jan n THR 189 Ca 0.07 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 2jan n THR 189 Cb 0.45 1.53 -0.15 0.00 -2.10 0.00 0.00 70.33 70.06 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 -0.10 1.54 -0.10 3.22 2.96 -1.21 -1.31 118.68 123.67 2jan s LEU 190 Ca 0.00 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2jan s LEU 190 Cb 0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 46.19 46.60 2jan s LEU 190 CO 0.00 -0.06 -0.12 -1.58 -1.32 0.00 0.00 176.35 173.27 2jan s GLN 191 N 0.53 3.09 0.17 1.98 0.74 -0.94 -1.51 119.66 123.73 2jan s GLN 191 Ca -0.05 -0.66 0.07 0.00 0.05 0.00 0.00 55.36 54.77 2jan s GLN 191 Cb -0.07 -2.58 -0.04 0.00 1.10 0.00 0.00 33.01 31.43 2jan s GLN 191 CO -0.01 0.38 0.00 0.96 -0.55 0.00 0.00 175.29 176.07 2jan s ILE 192 N -0.07 3.75 0.30 -2.34 -4.36 0.38 -2.18 121.20 116.68 2jan s ILE 192 Ca -0.02 -1.40 -0.19 0.00 -0.26 0.00 0.00 60.65 58.79 2jan s ILE 192 Cb -0.14 -2.88 0.06 0.00 1.25 0.00 0.00 42.46 40.75 2jan s ILE 192 CO 0.04 -0.10 0.89 -0.83 0.24 0.00 0.00 174.94 175.17 2jan s GLY 193 N -2.92 0.24 0.58 6.27 0.00 -1.18 -4.31 107.32 106.00 2jan s GLY 193 Ca 0.27 -0.55 -0.19 0.00 0.00 0.00 0.00 44.72 44.26 2jan s GLY 193 CO 0.19 0.72 1.17 -0.32 0.00 0.00 0.00 173.10 174.85 2jan s GLY 194 N -3.18 2.62 0.38 0.20 0.00 -1.26 -1.02 107.32 105.06 2jan s GLY 194 Ca 0.17 0.88 0.15 0.00 0.00 0.00 0.00 44.72 45.92 2jan s GLY 194 CO 0.09 1.26 1.80 0.00 0.00 0.00 0.00 173.10 176.24 2jan h ALA 195 N 0.89 2.06 0.00 3.20 0.00 -0.23 0.15 119.26 125.33 2jan h ALA 195 Ca -0.50 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jan h ALA 195 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2jan h ALA 195 CO 0.55 -0.42 0.00 0.38 0.00 0.00 0.00 179.25 179.77 2jan h ASP 196 N 0.50 0.00 -0.28 0.00 2.03 -1.91 -3.17 116.42 113.59 2jan h ASP 196 Ca 0.55 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.85 2jan h ASP 196 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 2jan h ASP 196 CO -0.28 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 177.93 2jan n GLN 197 N -2.38 1.70 0.19 4.15 1.13 0.53 -4.62 117.38 118.07 2jan n GLN 197 Ca 0.02 -1.03 -0.13 0.00 -1.94 0.00 0.00 57.00 53.92 2jan n GLN 197 Cb 0.28 -1.25 -0.07 0.00 0.11 0.00 0.00 30.24 29.31 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 1.65 -1.09 -0.92 1.08 2.91 -1.66 -2.42 115.95 115.50 2jan h TRP 198 Ca 0.00 0.01 0.27 0.00 1.13 0.00 0.00 58.89 60.30 2jan h TRP 198 Cb 0.41 0.43 -0.15 0.00 -0.51 0.00 0.00 29.16 29.34 2jan h TRP 198 CO 0.20 -0.50 0.24 0.78 -1.03 0.00 0.00 178.44 178.13 2jan h GLY 199 N -0.72 1.47 0.61 2.65 0.00 -1.89 0.56 103.07 105.74 2jan h GLY 199 Ca -0.04 -0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.35 2jan h GLY 199 CO -0.09 -0.45 0.45 3.43 0.00 0.00 0.00 176.54 179.88 2jan h ASN 200 N 0.15 0.67 0.03 0.19 2.35 -1.79 -1.73 115.58 115.45 2jan h ASN 200 Ca 0.60 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 56.30 2jan h ASN 200 Cb 1.29 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 39.57 2jan h ASN 200 CO -0.72 0.41 -0.35 0.40 -1.65 0.00 0.00 177.43 175.51 2jan h ILE 201 N 0.80 1.58 -0.21 2.81 2.04 0.39 -3.13 117.51 121.79 2jan h ILE 201 Ca 0.36 -2.17 -0.07 0.00 1.00 0.00 0.00 64.86 63.97 2jan h ILE 201 Cb 0.27 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.31 2jan h ILE 201 CO -0.21 0.60 -0.19 -0.29 0.00 0.00 0.00 178.15 178.05 2jan h ILE 202 N -0.54 1.23 -0.83 -0.67 6.09 -1.20 -0.45 117.51 121.15 2jan h ILE 202 Ca -0.05 -1.08 0.12 0.00 -1.37 0.00 0.00 64.86 62.48 2jan h ILE 202 Cb 1.17 1.29 -0.08 0.00 0.47 0.00 0.00 36.82 39.67 2jan h ILE 202 CO 0.07 0.34 0.44 0.00 -3.07 0.00 0.00 178.15 175.93 2jan h ALA 203 N 1.46 1.22 -0.35 0.18 0.00 -1.37 -1.04 119.26 119.35 2jan h ALA 203 Ca 0.06 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2jan h ALA 203 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jan h ALA 203 CO 0.04 -0.02 -0.21 0.78 0.00 0.00 0.00 179.25 179.83 2jan h GLY 204 N 0.68 0.72 0.84 0.00 0.00 -1.04 -1.06 103.07 103.21 2jan h GLY 204 Ca 0.43 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 2jan h GLY 204 CO -0.32 0.54 0.02 -2.08 0.00 0.00 0.00 176.54 174.70 2jan h VAL 205 N 0.59 1.24 0.25 4.60 2.07 -0.69 -1.22 116.25 123.08 2jan h VAL 205 Ca 0.09 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2jan h VAL 205 Cb 0.68 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2jan h VAL 205 CO 0.05 0.25 -0.12 0.03 0.02 0.00 0.00 177.57 177.80 2jan h ARG 206 N 0.14 -0.32 -0.41 1.57 3.08 -1.17 -1.23 114.38 116.05 2jan h ARG 206 Ca 0.06 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.20 2jan h ARG 206 Cb 0.36 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.42 2jan h ARG 206 CO 0.01 -0.20 0.05 1.25 -1.07 0.00 0.00 179.97 180.00 2jan h LEU 207 N -0.35 -0.07 -0.48 3.04 5.85 -1.16 -0.23 115.31 121.91 2jan h LEU 207 Ca -0.03 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2jan h LEU 207 Cb 0.27 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 2jan h LEU 207 CO 0.06 -0.00 0.13 0.58 -0.34 0.00 0.00 178.44 178.87 2jan h VAL 208 N 0.16 0.79 -0.40 1.05 2.07 -1.08 0.30 116.25 119.15 2jan h VAL 208 Ca 0.20 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.70 2jan h VAL 208 Cb 0.27 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 2jan h VAL 208 CO -0.30 0.05 -0.03 -0.09 0.02 0.00 0.00 177.57 177.23 2jan h ARG 209 N 0.28 0.07 0.23 1.57 9.65 0.01 -0.49 114.38 125.71 2jan h ARG 209 Ca 0.23 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.10 2jan h ARG 209 Cb 0.28 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2jan h ARG 209 CO -0.27 0.05 -0.11 1.96 2.80 0.00 0.00 179.97 184.39 2jan h GLN 210 N 0.07 -0.30 0.00 0.20 4.20 0.00 0.30 115.11 119.58 2jan h GLN 210 Ca 0.19 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 2jan h GLN 210 Cb 0.28 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2jan h GLN 210 CO -0.35 0.00 -0.29 0.87 -0.67 0.00 0.00 178.83 178.39 2jan h LYS 211 N -0.98 0.00 0.00 1.46 1.57 -0.51 -3.35 116.57 114.76 2jan h LYS 211 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2jan h LYS 211 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2jan h LYS 211 CO 0.05 0.29 0.00 1.28 -0.57 0.00 0.00 179.45 180.50 2jan n LEU 212 N -3.87 0.36 0.00 2.94 4.32 -0.21 -5.02 117.00 115.51 2jan n LEU 212 Ca -0.02 -0.51 0.00 0.00 -0.02 0.00 0.00 56.01 55.46 2jan n LEU 212 Cb 0.37 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 2jan n LEU 212 CO 0.36 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.23 2jan n GLY 213 N 0.32 1.80 3.84 -0.72 0.00 0.11 -4.96 105.19 105.57 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 -1.08 3.02 -0.20 4.61 0.00 -1.25 -4.84 121.76 122.01 2jan s ALA 214 Ca 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.07 2jan s ALA 214 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2jan s ALA 214 CO 0.00 -0.40 0.03 0.99 0.00 0.00 0.00 175.76 176.38 2jan s THR 215 N -2.69 4.28 0.33 0.00 2.01 -1.26 -3.12 115.64 115.19 2jan s THR 215 Ca 0.59 -0.20 0.05 0.00 0.31 0.00 0.00 61.69 62.44 2jan s THR 215 Cb -0.11 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 2jan s THR 215 CO 0.36 0.42 0.23 0.68 -0.69 0.00 0.00 174.62 175.62 2jan s VAL 216 N 0.88 0.13 0.18 3.82 -7.23 -1.26 -5.04 120.40 111.87 2jan s VAL 216 Ca 0.02 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 2jan s VAL 216 Cb -0.14 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2jan s VAL 216 CO 0.02 0.00 -0.15 -1.00 -0.31 0.00 0.00 175.10 173.66 2jan s HIS 217 N -3.50 1.65 0.07 2.82 3.76 -0.43 -4.94 115.29 114.73 2jan s HIS 217 Ca 0.37 -0.56 0.06 0.00 -0.15 0.00 0.00 55.06 54.78 2jan s HIS 217 Cb 0.03 -0.80 -0.03 0.00 1.11 0.00 0.00 32.58 32.89 2jan s HIS 217 CO 0.23 0.29 -0.16 0.00 -0.85 0.00 0.00 174.74 174.26 2jan s ALA 218 N -2.62 1.30 -0.27 -1.40 0.00 -1.26 -2.21 121.76 115.31 2jan s ALA 218 Ca 0.18 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 2jan s ALA 218 Cb -0.02 -0.14 0.14 0.00 0.00 0.00 0.00 23.12 23.09 2jan s ALA 218 CO 0.06 0.22 0.53 -1.17 0.00 0.00 0.00 175.76 175.39 2jan s LEU 219 N -1.65 -1.01 0.06 0.00 0.20 -0.93 -1.27 118.68 114.10 2jan s LEU 219 Ca 0.00 0.99 0.02 0.00 0.69 0.00 0.00 54.13 55.83 2jan s LEU 219 Cb -0.10 1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 47.45 2jan s LEU 219 CO 0.02 -0.25 0.13 0.42 -0.29 0.00 0.00 176.35 176.38 2jan s THR 220 N 2.76 4.86 0.08 3.68 -4.23 -0.48 -3.07 115.64 119.24 2jan s THR 220 Ca 0.06 -0.59 0.04 0.00 -1.18 0.00 0.00 61.69 60.02 2jan s THR 220 Cb -0.14 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 2jan s THR 220 CO -0.18 0.15 0.02 0.68 -0.54 0.00 0.00 174.62 174.76 2jan s VAL 221 N -1.41 4.16 0.58 2.29 -7.23 -0.19 -1.02 120.40 117.59 2jan s VAL 221 Ca 0.31 -0.92 -0.18 0.00 -1.81 0.00 0.00 61.98 59.38 2jan s VAL 221 Cb -0.12 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 2jan s VAL 221 CO 0.23 0.13 1.14 -2.16 -0.31 0.00 0.00 175.10 174.13 2jan s PRO 222 N -2.30 3.13 0.31 4.82 0.04 -1.26 0.50 135.00 140.23 2jan s PRO 222 Ca 0.26 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 2jan s PRO 222 Cb -0.12 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 2jan s PRO 222 CO 0.19 -1.03 1.20 -0.51 0.04 0.00 0.00 177.00 176.89 2jan s LEU 223 N -4.14 4.48 -0.23 -3.56 1.02 -1.26 -4.69 118.68 110.31 2jan s LEU 223 Ca 0.72 2.46 -0.21 0.00 0.02 0.00 0.00 54.13 57.13 2jan s LEU 223 Cb -0.24 -3.65 -0.02 0.00 0.02 0.00 0.00 46.19 42.30 2jan s LEU 223 CO 0.32 -0.34 0.63 -0.69 0.02 0.00 0.00 176.35 176.29 2jan s VAL 224 N -1.16 5.00 -0.02 -1.59 1.01 -1.26 -5.04 120.40 117.34 2jan s VAL 224 Ca 0.47 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.61 2jan s VAL 224 Cb -0.35 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.10 2jan s VAL 224 CO 0.46 0.07 0.01 0.42 0.00 0.00 0.00 175.10 176.06 2jan s THR 225 N 2.20 0.06 0.87 3.92 -4.23 -1.26 -2.59 115.64 114.61 2jan s THR 225 Ca 0.27 0.09 -0.11 0.00 -1.18 0.00 0.00 61.69 60.76 2jan s THR 225 Cb -0.16 -0.14 0.11 0.00 1.34 0.00 0.00 72.50 73.66 2jan s THR 225 CO 0.09 0.08 1.09 0.00 -0.54 0.00 0.00 174.62 175.35 2jan s ALA 226 N 0.67 1.68 0.39 3.99 0.00 -0.55 -4.87 121.76 123.07 2jan s ALA 226 Ca -0.06 0.05 0.10 0.00 0.00 0.00 0.00 51.96 52.05 2jan s ALA 226 Cb -0.09 -3.23 0.88 0.00 0.00 0.00 0.00 23.12 20.69 2jan s ALA 226 CO -0.02 -2.25 1.95 0.00 0.00 0.00 0.00 175.76 175.45 2jan h ALA 227 N -1.48 1.87 0.00 0.00 0.00 -1.93 0.09 119.26 117.81 2jan h ALA 227 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jan h ALA 227 Cb 1.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jan h ALA 227 CO 0.53 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.37 2jan n ASP 228 N -4.49 0.00 0.00 0.00 5.75 -1.26 -4.91 116.55 111.65 2jan n ASP 228 Ca 0.11 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 2jan n ASP 228 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.66 2.71 3.78 6.12 0.00 0.02 -5.05 105.19 113.42 2jan n GLY 229 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.40 3.31 -0.01 2.61 -4.23 -1.26 -4.72 115.64 108.93 2jan s THR 230 Ca 0.00 0.69 -0.20 0.00 -1.18 0.00 0.00 61.69 61.00 2jan s THR 230 Cb 0.00 -3.21 -0.05 0.00 1.34 0.00 0.00 72.50 70.57 2jan s THR 230 CO 0.00 -0.30 0.58 -0.75 -0.54 0.00 0.00 174.62 173.61 2jan s LYS 231 N -3.77 4.30 0.64 3.99 2.36 -1.26 -1.48 119.74 124.52 2jan s LYS 231 Ca 0.69 0.70 -0.18 0.00 -2.55 0.00 0.00 55.97 54.63 2jan s LYS 231 Cb -0.21 -3.34 -0.03 0.00 -1.05 0.00 0.00 37.83 33.20 2jan s LYS 231 CO 0.35 0.37 1.02 0.34 1.55 0.00 0.00 175.35 178.98 2jan n PHE 232 N 2.75 0.96 -0.99 4.03 7.35 -1.07 -3.51 117.46 126.98 2jan n PHE 232 Ca -0.07 0.42 0.00 0.00 -0.76 0.00 0.00 57.45 57.04 2jan n PHE 232 Cb 0.51 -2.14 0.00 0.00 0.35 0.00 0.00 39.48 38.20 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 1.19 0.49 3.75 7.13 0.00 -1.26 -4.83 105.19 111.65 2jan n GLY 233 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.24 4.61 0.42 1.61 3.01 -1.23 -2.11 119.74 125.81 2jan s LYS 234 Ca 0.00 1.25 -0.02 0.00 -1.01 0.00 0.00 55.97 56.18 2jan s LYS 234 Cb 0.00 -3.34 0.09 0.00 -1.01 0.00 0.00 37.83 33.57 2jan s LYS 234 CO 0.00 0.34 0.58 -1.13 0.51 0.00 0.00 175.35 175.65 2jan n SER 235 N 2.44 0.54 -0.05 2.83 3.41 -0.07 -4.86 113.62 117.86 2jan n SER 235 Ca -0.02 -1.51 -0.09 0.00 -0.26 0.00 0.00 58.87 57.00 2jan n SER 235 Cb 0.49 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.75 0.29 0.00 6.66 2.02 -1.95 -0.73 112.91 118.45 2jan h THR 236 Ca -0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2jan h THR 236 Cb 0.64 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2jan h THR 236 CO 0.18 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.68 2jan n GLY 237 N -1.40 -0.83 2.18 2.16 0.00 -1.26 -4.85 105.19 101.19 2jan n GLY 237 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 0.36 0.69 0.00 -0.02 0.00 -0.28 -5.04 105.19 100.91 2jan n GLY 238 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.23 0.47 3.91 -0.02 0.00 -1.26 -4.67 105.19 101.39 2jan n GLY 239 Ca -0.04 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 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 6.44 -0.75 1.61 0.01 -1.26 -0.89 113.70 117.85 2jan s SER 240 Ca 0.00 0.50 -0.21 0.00 1.31 0.00 0.00 55.95 57.55 2jan s SER 240 Cb 0.00 -2.05 0.09 0.00 0.21 0.00 0.00 66.02 64.27 2jan s SER 240 CO 0.00 0.01 1.01 -0.76 0.41 0.00 0.00 173.24 173.90 2jan s LEU 241 N -2.97 4.65 0.10 2.44 1.43 -0.90 -4.60 118.68 118.83 2jan s LEU 241 Ca 0.40 -1.36 -0.28 0.00 -1.03 0.00 0.00 54.13 51.85 2jan s LEU 241 Cb -0.12 -2.41 -0.06 0.00 0.03 0.00 0.00 46.19 43.64 2jan s LEU 241 CO 0.27 -1.30 0.89 0.26 0.23 0.00 0.00 176.35 176.70 2jan s TRP 242 N 3.56 3.80 0.43 0.29 0.52 -1.26 -0.57 118.94 125.71 2jan s TRP 242 Ca 0.25 1.70 0.11 0.00 0.02 0.00 0.00 56.10 58.18 2jan s TRP 242 Cb -0.13 -2.96 0.94 0.00 -1.15 0.00 0.00 33.47 30.16 2jan s TRP 242 CO 0.03 0.26 2.01 -0.07 0.02 0.00 0.00 176.95 179.20 2jan h LEU 243 N 5.46 0.22 -9.51 2.99 3.38 -1.23 -3.37 115.31 113.25 2jan h LEU 243 Ca -0.44 -0.02 -0.53 0.00 0.09 0.00 0.00 57.88 56.98 2jan h LEU 243 Cb 1.21 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.93 2jan h LEU 243 CO 0.71 0.27 1.00 -0.62 0.09 0.00 0.00 178.44 179.89 2jan s ASP 244 N -6.89 6.55 0.29 -0.43 -1.08 -1.26 -4.91 116.67 108.94 2jan s ASP 244 Ca -0.06 2.60 -0.00 0.00 -0.52 0.00 0.00 52.55 54.57 2jan s ASP 244 Cb 0.16 -2.57 0.44 0.00 -1.46 0.00 0.00 42.92 39.49 2jan s ASP 244 CO 0.71 -0.91 1.83 1.55 0.52 0.00 0.00 175.17 178.88 2jan h PRO 245 N 7.99 0.76 0.00 4.34 0.13 -1.84 -0.90 132.00 142.48 2jan h PRO 245 Ca -0.43 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.53 2jan h PRO 245 Cb 1.21 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2jan h PRO 245 CO 0.93 0.71 -0.04 1.96 -0.23 0.00 0.00 178.00 181.33 2jan h GLN 246 N 0.74 0.00 0.01 0.86 7.50 -1.95 -3.06 115.11 119.21 2jan h GLN 246 Ca 0.16 0.00 -0.40 0.00 0.50 0.00 0.00 58.65 58.91 2jan h GLN 246 Cb 0.31 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.77 2jan h GLN 246 CO 0.00 0.04 -2.37 -1.33 -1.50 0.00 0.00 178.83 173.67 2jan n MET 247 N -3.26 0.64 -3.91 1.46 2.81 -0.84 -4.85 117.12 109.17 2jan n MET 247 Ca -0.01 0.23 -0.29 0.00 -1.81 0.00 0.00 57.70 55.81 2jan n MET 247 Cb 0.21 -1.55 -0.16 0.00 -0.71 0.00 0.00 33.22 31.01 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 1.26 0.47 2.03 2.01 -0.40 -4.88 115.64 113.62 2jan s THR 248 Ca -0.34 -0.83 -0.24 0.00 0.31 0.00 0.00 61.69 60.58 2jan s THR 248 Cb 0.10 -1.47 -0.07 0.00 0.01 0.00 0.00 72.50 71.08 2jan s THR 248 CO 0.58 0.06 1.33 -0.94 -0.69 0.00 0.00 174.62 174.96 2jan s SER 249 N 1.55 5.84 0.41 3.53 1.04 -1.16 -4.01 113.70 120.90 2jan s SER 249 Ca -0.01 2.69 0.27 0.00 0.48 0.00 0.00 55.95 59.38 2jan s SER 249 Cb -0.16 -2.63 1.42 0.00 0.10 0.00 0.00 66.02 64.75 2jan s SER 249 CO -0.07 -1.18 1.58 -0.65 0.98 0.00 0.00 173.24 173.90 2jan h PRO 250 N 2.08 0.01 -0.05 4.02 0.11 -1.93 0.25 132.00 136.50 2jan h PRO 250 Ca -0.50 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2jan h PRO 250 Cb 1.27 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2jan h PRO 250 CO 0.60 0.01 0.00 -0.92 -0.21 0.00 0.00 178.00 177.48 2jan h TYR 251 N 0.01 0.09 -0.91 0.65 3.20 -1.94 0.16 116.97 118.23 2jan h TYR 251 Ca 0.87 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.82 2jan h TYR 251 Cb 2.55 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 40.73 2jan h TYR 251 CO -0.01 0.36 0.59 0.00 -1.64 0.00 0.00 178.16 177.46 2jan h ALA 252 N 0.72 1.63 0.46 1.82 0.00 -1.35 0.29 119.26 122.83 2jan h ALA 252 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jan h ALA 252 Cb 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jan h ALA 252 CO 0.00 0.18 -0.22 2.35 0.00 0.00 0.00 179.25 181.56 2jan h TRP 253 N 0.90 -0.57 -0.18 0.00 2.91 -0.33 -2.44 115.95 116.24 2jan h TRP 253 Ca 0.43 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.49 2jan h TRP 253 Cb 0.44 0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.22 2jan h TRP 253 CO -0.00 -0.25 -0.17 -0.92 -1.03 0.00 0.00 178.44 176.06 2jan h TYR 254 N -0.89 -0.44 -0.61 2.65 3.20 -0.45 -2.80 116.97 117.63 2jan h TYR 254 Ca -0.06 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.96 2jan h TYR 254 Cb 0.58 0.22 -0.11 0.00 1.54 0.00 0.00 36.73 38.96 2jan h TYR 254 CO 0.01 -0.25 -0.14 0.37 -1.64 0.00 0.00 178.16 176.51 2jan h GLN 255 N -0.20 0.01 -0.18 1.82 4.15 -0.47 -1.38 115.11 118.87 2jan h GLN 255 Ca 0.11 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.58 2jan h GLN 255 Cb 0.36 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 2jan h GLN 255 CO -0.29 0.01 -0.20 -0.92 -1.93 0.00 0.00 178.83 175.50 2jan h TYR 256 N 0.01 -0.52 -0.04 3.99 5.03 -1.15 -1.36 116.97 122.93 2jan h TYR 256 Ca 0.29 0.03 -0.17 0.00 2.58 0.00 0.00 58.73 61.46 2jan h TYR 256 Cb 0.45 0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.98 2jan h TYR 256 CO -0.49 -0.28 -0.75 0.74 -1.32 0.00 0.00 178.16 176.07 2jan h PHE 257 N -0.23 0.32 0.00 -3.82 0.04 -1.44 -2.92 116.94 108.90 2jan h PHE 257 Ca 0.11 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2jan h PHE 257 Cb 0.40 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.50 2jan h PHE 257 CO -0.33 0.89 0.00 -0.24 -0.60 0.00 0.00 178.31 178.04 2jan h VAL 258 N 0.15 0.00 -0.59 -0.55 3.04 -0.84 -2.15 116.25 115.31 2jan h VAL 258 Ca -0.03 -0.36 -0.05 0.00 -1.01 0.00 0.00 66.70 65.25 2jan h VAL 258 Cb 1.32 1.27 -0.03 0.00 -2.01 0.00 0.00 31.29 31.83 2jan h VAL 258 CO 0.12 0.00 0.07 0.59 -1.01 0.00 0.00 177.57 177.33 2jan n ASN 259 N -2.83 5.39 -4.75 3.17 5.03 -0.55 -4.79 115.26 115.92 2jan n ASN 259 Ca 0.00 -3.02 -0.41 0.00 0.87 0.00 0.00 54.58 52.02 2jan n ASN 259 Cb 0.25 -0.69 -0.01 0.00 -1.02 0.00 0.00 39.78 38.30 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 -2.84 2.11 0.77 3.41 2.01 -0.81 -4.99 115.64 115.30 2jan s THR 260 Ca 0.54 0.10 -0.14 0.00 0.31 0.00 0.00 61.69 62.49 2jan s THR 260 Cb 0.42 -3.06 0.06 0.00 0.01 0.00 0.00 72.50 69.93 2jan s THR 260 CO 0.15 0.02 1.21 0.00 -0.69 0.00 0.00 174.62 175.30 2jan s ALA 261 N -0.10 1.98 0.26 7.40 0.00 -1.26 -4.83 121.76 125.21 2jan s ALA 261 Ca 0.62 0.87 -0.03 0.00 0.00 0.00 0.00 51.96 53.43 2jan s ALA 261 Cb -0.47 -3.49 0.32 0.00 0.00 0.00 0.00 23.12 19.48 2jan s ALA 261 CO 0.49 -2.09 1.78 -0.44 0.00 0.00 0.00 175.76 175.50 2jan h ASP 262 N -0.58 0.82 -1.05 0.00 3.32 -1.98 -2.26 116.42 114.69 2jan h ASP 262 Ca -0.47 -0.18 0.28 0.00 0.02 0.00 0.00 57.03 56.69 2jan h ASP 262 Cb 1.30 -0.22 -0.12 0.00 0.22 0.00 0.00 39.33 40.51 2jan h ASP 262 CO 0.48 0.84 0.64 0.00 -1.72 0.00 0.00 179.24 179.48 2jan h ALA 263 N 1.26 2.07 0.00 3.45 0.00 -2.01 -3.17 119.26 120.86 2jan h ALA 263 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2jan h ALA 263 Cb 0.38 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jan h ALA 263 CO 0.01 -0.55 -1.30 -0.25 0.00 0.00 0.00 179.25 177.16 2jan n ASP 264 N -4.79 1.28 -0.28 0.00 8.00 -0.99 -4.77 116.55 115.00 2jan n ASP 264 Ca 0.28 -0.31 -0.02 0.00 0.71 0.00 0.00 54.79 55.45 2jan n ASP 264 Cb 0.89 1.42 0.17 0.00 -0.02 0.00 0.00 41.12 43.58 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 1.23 -0.05 2.53 3.04 -1.39 -0.73 116.25 120.89 2jan h VAL 265 Ca 0.00 -0.51 -0.04 0.00 -1.01 0.00 0.00 66.70 65.14 2jan h VAL 265 Cb 0.55 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 2jan h VAL 265 CO 0.00 0.24 -0.12 0.40 -1.01 0.00 0.00 177.57 177.08 2jan h ILE 266 N 1.14 1.44 -0.42 3.17 1.08 -1.86 -0.72 117.51 121.34 2jan h ILE 266 Ca 0.30 -1.49 0.08 0.00 -0.39 0.00 0.00 64.86 63.36 2jan h ILE 266 Cb -0.04 2.31 -0.08 0.00 -3.07 0.00 0.00 36.82 35.94 2jan h ILE 266 CO -0.06 0.41 -0.07 -0.09 -0.69 0.00 0.00 178.15 177.65 2jan h ARG 267 N -0.36 0.03 -0.35 2.37 2.43 -1.79 0.27 114.38 116.98 2jan h ARG 267 Ca -0.00 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2jan h ARG 267 Cb 0.73 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 2jan h ARG 267 CO 0.03 0.02 0.09 1.88 -1.51 0.00 0.00 179.97 180.48 2jan h TYR 268 N 0.03 0.16 -0.20 2.20 -1.99 -1.16 -0.79 116.97 115.22 2jan h TYR 268 Ca 0.21 0.02 0.04 0.00 2.00 0.00 0.00 58.73 61.00 2jan h TYR 268 Cb 0.31 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.98 2jan h TYR 268 CO -0.34 0.05 -0.06 -0.07 -0.00 0.00 0.00 178.16 177.74 2jan h LEU 269 N 0.23 -0.22 -1.07 3.88 3.38 0.48 0.20 115.31 122.18 2jan h LEU 269 Ca 0.16 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jan h LEU 269 Cb 0.16 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2jan h LEU 269 CO -0.19 -0.08 0.00 0.08 0.09 0.00 0.00 178.44 178.34 2jan h ARG 270 N -0.02 0.00 0.06 1.13 0.11 -0.28 -0.09 114.38 115.29 2jan h ARG 270 Ca 0.10 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.86 2jan h ARG 270 Cb 0.17 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.22 2jan h ARG 270 CO -0.21 0.00 -1.77 -1.49 0.10 0.00 0.00 179.97 176.60 2jan h TRP 271 N 0.00 0.24 0.00 4.08 4.06 -0.66 -3.41 115.95 120.26 2jan h TRP 271 Ca 0.00 -0.18 0.00 0.00 2.06 0.00 0.00 58.89 60.77 2jan h TRP 271 Cb 0.59 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 2jan h TRP 271 CO 0.00 1.34 -1.47 1.19 -3.56 0.00 0.00 178.44 175.94 2jan n PHE 272 N -3.27 0.00 -4.31 0.49 3.72 0.65 -4.97 117.46 109.77 2jan n PHE 272 Ca -0.22 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 56.98 2jan n PHE 272 Cb 1.05 -0.27 -0.03 0.00 -0.94 0.00 0.00 39.48 39.28 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 -1.88 0.00 -0.92 4.37 -2.24 -0.06 -4.96 114.28 108.59 2jan n THR 273 Ca -0.01 -1.54 0.09 0.00 -2.27 0.00 0.00 64.05 60.31 2jan n THR 273 Cb 0.38 0.19 0.20 0.00 -2.10 0.00 0.00 70.33 69.00 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 -0.96 0.54 -1.96 4.78 3.01 -1.26 -4.84 117.46 116.77 2jan n PHE 274 Ca -0.11 -0.88 -0.41 0.00 1.01 0.00 0.00 57.45 57.06 2jan n PHE 274 Cb 0.42 -0.23 -0.01 0.00 -0.01 0.00 0.00 39.48 39.65 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 -2.64 4.37 0.78 4.37 1.43 -1.26 -4.98 118.68 120.74 2jan s LEU 275 Ca 0.36 2.84 -0.11 0.00 -1.03 0.00 0.00 54.13 56.19 2jan s LEU 275 Cb 0.29 -3.65 0.06 0.00 0.03 0.00 0.00 46.19 42.92 2jan s LEU 275 CO 0.07 -0.71 1.09 -0.94 0.23 0.00 0.00 176.35 176.08 2jan s SER 276 N -0.16 4.52 0.42 2.29 1.04 -1.26 -4.80 113.70 115.74 2jan s SER 276 Ca 0.53 1.70 0.14 0.00 0.48 0.00 0.00 55.95 58.80 2jan s SER 276 Cb -0.43 -2.43 1.01 0.00 0.10 0.00 0.00 66.02 64.26 2jan s SER 276 CO 0.55 -2.00 1.92 0.00 0.98 0.00 0.00 173.24 174.69 2jan h ALA 277 N -1.11 2.05 -0.14 5.32 0.00 -1.98 -0.41 119.26 123.00 2jan h ALA 277 Ca -0.45 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2jan h ALA 277 Cb 1.24 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2jan h ALA 277 CO 0.53 -0.25 -0.13 -0.44 0.00 0.00 0.00 179.25 178.96 2jan h ASP 278 N 0.47 0.35 -0.92 0.00 3.32 -1.99 0.11 116.42 117.76 2jan h ASP 278 Ca 0.37 -0.48 0.11 0.00 0.02 0.00 0.00 57.03 57.05 2jan h ASP 278 Cb 0.78 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.15 2jan h ASP 278 CO -0.13 0.76 0.56 -0.33 -1.72 0.00 0.00 179.24 178.38 2jan h GLU 279 N -0.04 0.87 -0.08 3.56 5.08 -1.69 -1.14 114.58 121.13 2jan h GLU 279 Ca 0.02 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2jan h GLU 279 Cb 0.66 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2jan h GLU 279 CO 0.03 0.58 -0.60 -0.07 -1.00 0.00 0.00 179.01 177.95 2jan h LEU 280 N 0.90 0.31 0.05 1.33 3.38 -0.95 -2.20 115.31 118.13 2jan h LEU 280 Ca 0.45 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.27 2jan h LEU 280 Cb 0.44 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2jan h LEU 280 CO -0.26 0.84 -0.24 0.00 0.09 0.00 0.00 178.44 178.87 2jan h ALA 281 N 1.16 -0.35 -0.27 1.53 0.00 0.05 -0.11 119.26 121.27 2jan h ALA 281 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2jan h ALA 281 Cb 1.11 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2jan h ALA 281 CO 0.10 -0.75 -0.10 0.93 0.00 0.00 0.00 179.25 179.43 2jan h GLU 282 N -0.40 0.44 -0.02 0.00 5.08 -1.07 -1.59 114.58 117.01 2jan h GLU 282 Ca 0.05 -0.11 -0.18 0.00 -1.00 0.00 0.00 59.36 58.11 2jan h GLU 282 Cb 0.45 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2jan h GLU 282 CO -0.18 0.55 -0.79 -0.07 -1.00 0.00 0.00 179.01 177.52 2jan h LEU 283 N 0.41 0.29 -0.88 1.33 3.38 -1.38 -2.80 115.31 115.67 2jan h LEU 283 Ca 0.08 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2jan h LEU 283 Cb 0.43 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2jan h LEU 283 CO 0.02 0.97 0.57 -0.33 0.09 0.00 0.00 178.44 179.76 2jan h GLU 284 N 0.15 1.07 -0.30 1.13 5.08 -0.07 -1.79 114.58 119.86 2jan h GLU 284 Ca -0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2jan h GLU 284 Cb 1.38 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2jan h GLU 284 CO 0.12 0.71 0.14 1.96 -1.00 0.00 0.00 179.01 180.93 2jan h GLN 285 N 1.10 0.43 -0.55 2.33 1.08 -1.39 -2.43 115.11 115.69 2jan h GLN 285 Ca 0.35 -0.07 0.11 0.00 -1.45 0.00 0.00 58.65 57.59 2jan h GLN 285 Cb 0.01 -0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 27.27 2jan h GLN 285 CO -0.12 0.42 -0.07 0.00 -0.95 0.00 0.00 178.83 178.11 2jan h ALA 286 N 0.99 0.44 -0.06 3.87 0.00 -1.13 0.35 119.26 123.71 2jan h ALA 286 Ca 0.10 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2jan h ALA 286 Cb 0.14 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jan h ALA 286 CO -0.01 -0.42 -0.28 1.15 0.00 0.00 0.00 179.25 179.69 2jan h THR 287 N 0.05 1.23 0.02 0.00 2.02 -1.25 0.50 112.91 115.48 2jan h THR 287 Ca 0.27 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 2jan h THR 287 Cb 0.42 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2jan h THR 287 CO -0.52 0.32 -0.01 0.00 0.37 0.00 0.00 175.52 175.68 2jan h ALA 288 N 1.62 -0.03 0.00 6.16 0.00 -0.73 -3.33 119.26 122.95 2jan h ALA 288 Ca 0.02 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 2jan h ALA 288 Cb 0.55 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2jan h ALA 288 CO 0.04 -0.20 -1.56 1.04 0.00 0.00 0.00 179.25 178.56 2jan n GLN 289 N -4.80 0.63 -2.82 0.00 6.02 0.11 -4.59 117.38 111.93 2jan n GLN 289 Ca -0.09 0.18 -0.13 0.00 -0.01 0.00 0.00 57.00 56.95 2jan n GLN 289 Cb 0.31 -1.76 0.01 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.85 1.27 0.13 -1.09 1.74 0.17 -4.99 116.66 111.04 2jan n ARG 290 Ca -0.12 -3.40 0.04 0.00 -0.77 0.00 0.00 57.85 53.60 2jan n ARG 290 Cb 0.87 -1.46 0.46 0.00 -1.02 0.00 0.00 32.46 31.31 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 2.98 0.24 0.00 5.56 0.13 -1.66 -2.17 132.00 137.08 2jan h PRO 291 Ca -0.01 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2jan h PRO 291 Cb 1.08 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2jan h PRO 291 CO 0.53 0.28 0.00 1.04 -0.23 0.00 0.00 178.00 179.62 2jan n GLN 292 N -4.38 0.58 0.02 0.86 6.02 -1.26 -3.28 117.38 115.93 2jan n GLN 292 Ca -0.00 0.01 0.07 0.00 -0.01 0.00 0.00 57.00 57.07 2jan n GLN 292 Cb 0.18 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.18 0.64 -2.48 -1.09 7.27 -0.81 -5.01 117.38 114.72 2jan n GLN 293 Ca 0.16 -0.04 -0.18 0.00 0.07 0.00 0.00 57.00 57.02 2jan n GLN 293 Cb 0.18 -1.64 0.00 0.00 2.41 0.00 0.00 30.24 31.19 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 -2.51 -2.11 -0.27 3.69 1.74 -1.21 -4.90 116.66 111.10 2jan n ARG 294 Ca -0.07 0.81 0.06 0.00 -0.77 0.00 0.00 57.85 57.88 2jan n ARG 294 Cb 0.66 -5.29 0.19 0.00 -1.02 0.00 0.00 32.46 27.01 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 0.82 1.11 -0.40 7.54 0.00 -1.89 -1.00 119.26 125.44 2jan h ALA 295 Ca -0.42 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2jan h ALA 295 Cb 1.30 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2jan h ALA 295 CO 0.48 -0.18 -0.26 0.00 0.00 0.00 0.00 179.25 179.29 2jan h ALA 296 N 1.55 0.57 -0.37 0.00 0.00 -1.90 -2.21 119.26 116.89 2jan h ALA 296 Ca 0.42 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2jan h ALA 296 Cb 0.63 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jan h ALA 296 CO -0.39 0.58 -0.08 1.96 0.00 0.00 0.00 179.25 181.32 2jan h GLN 297 N 0.70 0.72 -0.15 0.00 7.50 -1.68 -1.35 115.11 120.85 2jan h GLN 297 Ca 0.08 -0.27 -0.10 0.00 0.50 0.00 0.00 58.65 58.86 2jan h GLN 297 Cb 0.84 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.31 2jan h GLN 297 CO 0.07 0.86 -0.36 0.00 -1.50 0.00 0.00 178.83 177.90 2jan h ARG 298 N 0.52 0.31 -0.06 1.46 3.08 -1.23 -0.19 114.38 118.27 2jan h ARG 298 Ca 0.10 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2jan h ARG 298 Cb 0.59 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2jan h ARG 298 CO 0.04 0.63 -0.12 -0.09 -1.07 0.00 0.00 179.97 179.35 2jan h ARG 299 N 0.26 0.19 -0.71 0.04 9.65 -1.30 -2.00 114.38 120.51 2jan h ARG 299 Ca 0.03 -0.13 0.10 0.00 -1.10 0.00 0.00 59.98 58.89 2jan h ARG 299 Cb 0.76 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 29.28 2jan h ARG 299 CO 0.06 0.71 0.34 1.25 2.80 0.00 0.00 179.97 185.13 2jan h LEU 300 N -0.30 0.41 -0.44 3.80 5.85 -1.13 -1.25 115.31 122.25 2jan h LEU 300 Ca 0.00 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2jan h LEU 300 Cb 0.71 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 2jan h LEU 300 CO 0.03 0.22 0.10 0.00 -0.34 0.00 0.00 178.44 178.46 2jan h ALA 301 N 1.45 0.58 -0.30 1.25 0.00 -0.96 -2.05 119.26 119.24 2jan h ALA 301 Ca 0.36 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2jan h ALA 301 Cb 0.42 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jan h ALA 301 CO -0.30 0.27 -0.37 0.66 0.00 0.00 0.00 179.25 179.52 2jan h SER 302 N 0.58 0.84 -0.39 0.00 4.64 -1.08 -1.19 113.55 116.96 2jan h SER 302 Ca 0.14 -0.49 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 2jan h SER 302 Cb 0.33 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2jan h SER 302 CO 0.00 1.16 0.20 -0.33 -0.87 0.00 0.00 176.83 177.00 2jan h GLU 303 N 0.54 0.55 -0.01 4.77 4.39 -1.15 0.26 114.58 123.93 2jan h GLU 303 Ca 0.04 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.50 2jan h GLU 303 Cb 0.95 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 2jan h GLU 303 CO 0.09 0.47 -0.74 -0.07 -1.16 0.00 0.00 179.01 177.60 2jan h LEU 304 N 0.50 0.13 -0.03 1.33 -0.00 -1.41 -1.80 115.31 114.03 2jan h LEU 304 Ca 0.14 -0.09 -0.25 0.00 -0.00 0.00 0.00 57.88 57.68 2jan h LEU 304 Cb 0.09 -0.04 0.02 0.00 -0.00 0.00 0.00 40.66 40.73 2jan h LEU 304 CO -0.02 0.82 -0.94 0.74 -0.00 0.00 0.00 178.44 179.04 2jan h THR 305 N 0.07 1.29 0.05 0.22 2.02 -1.05 -2.86 112.91 112.65 2jan h THR 305 Ca -0.02 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 64.99 2jan h THR 305 Cb 1.30 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 70.04 2jan h THR 305 CO 0.10 0.67 -0.05 0.58 0.37 0.00 0.00 175.52 177.20 2jan h VAL 306 N 0.36 0.89 -0.61 3.16 2.07 -0.54 0.91 116.25 122.49 2jan h VAL 306 Ca -0.11 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.51 2jan h VAL 306 Cb 1.60 0.89 -0.11 0.00 -1.52 0.00 0.00 31.29 32.14 2jan h VAL 306 CO 0.19 0.00 -0.37 0.25 0.02 0.00 0.00 177.57 177.66 2jan h LEU 307 N -0.11 -1.28 0.08 2.57 6.46 -1.38 0.32 115.31 121.98 2jan h LEU 307 Ca 0.00 0.24 -0.24 0.00 -0.12 0.00 0.00 57.88 57.76 2jan h LEU 307 Cb 0.11 0.62 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 2jan h LEU 307 CO -0.02 -0.31 -1.25 0.58 -0.62 0.00 0.00 178.44 176.82 2jan h VAL 308 N -0.18 1.09 -0.12 1.05 2.07 -1.42 -3.41 116.25 115.34 2jan h VAL 308 Ca 0.22 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.38 2jan h VAL 308 Cb 0.56 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2jan h VAL 308 CO -0.70 0.63 0.00 1.41 0.02 0.00 0.00 177.57 178.93 2jan n HIS 309 N -4.07 0.14 0.00 1.57 8.25 0.31 -5.02 115.22 116.39 2jan n HIS 309 Ca -0.25 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 2jan n HIS 309 Cb 0.82 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.92 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 0.59 -1.45 0.09 -1.41 0.00 0.10 -4.35 105.19 98.75 2jan n GLY 310 Ca 0.08 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 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 0.11 -0.57 1.61 5.08 -1.88 -2.71 114.58 116.22 2jan h GLU 311 Ca 0.00 -0.12 0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2jan h GLU 311 Cb 0.00 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 2jan h GLU 311 CO 0.00 0.87 0.16 0.00 -1.00 0.00 0.00 179.01 179.04 2jan h ALA 312 N 0.25 0.70 -0.40 3.43 0.00 -1.98 0.92 119.26 122.18 2jan h ALA 312 Ca -0.02 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2jan h ALA 312 Cb 0.92 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2jan h ALA 312 CO 0.03 -0.26 -0.21 0.00 0.00 0.00 0.00 179.25 178.82 2jan h ALA 313 N 1.42 0.88 -0.54 0.00 0.00 -1.76 -2.89 119.26 116.37 2jan h ALA 313 Ca 0.29 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2jan h ALA 313 Cb 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jan h ALA 313 CO -0.34 0.63 0.05 1.15 0.00 0.00 0.00 179.25 180.74 2jan h THR 314 N 0.69 1.26 -0.05 0.00 2.02 -1.04 -2.85 112.91 112.95 2jan h THR 314 Ca 0.10 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.27 2jan h THR 314 Cb 0.72 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 2jan h THR 314 CO 0.06 0.37 -0.09 0.00 0.37 0.00 0.00 175.52 176.23 2jan h ALA 315 N 0.97 -0.05 -0.31 6.16 0.00 -0.65 -0.79 119.26 124.59 2jan h ALA 315 Ca 0.16 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2jan h ALA 315 Cb 0.47 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 2jan h ALA 315 CO 0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 179.25 178.58 2jan h ALA 316 N 0.90 0.14 -0.78 0.00 0.00 -1.52 -2.11 119.26 115.88 2jan h ALA 316 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jan h ALA 316 Cb 0.20 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2jan h ALA 316 CO -0.13 -0.51 0.50 0.28 0.00 0.00 0.00 179.25 179.40 2jan h VAL 317 N -0.07 1.21 0.03 0.00 2.07 -1.19 0.10 116.25 118.39 2jan h VAL 317 Ca 0.16 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2jan h VAL 317 Cb 0.31 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2jan h VAL 317 CO -0.36 0.20 -0.01 -0.33 0.02 0.00 0.00 177.57 177.09 2jan h GLU 318 N 1.06 -0.04 -0.22 1.57 5.08 -0.86 0.42 114.58 121.60 2jan h GLU 318 Ca 0.28 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2jan h GLU 318 Cb -0.10 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2jan h GLU 318 CO -0.06 -0.00 0.10 0.45 -1.00 0.00 0.00 179.01 178.50 2jan h HIS 319 N -0.06 0.18 -0.16 4.33 3.86 -0.98 0.16 115.15 122.48 2jan h HIS 319 Ca -0.00 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2jan h HIS 319 Cb 0.05 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 2jan h HIS 319 CO -0.07 0.10 -0.09 0.00 0.86 0.00 0.00 177.93 178.73 2jan h ALA 320 N 1.11 0.04 -0.88 2.45 0.00 -0.91 0.26 119.26 121.34 2jan h ALA 320 Ca 0.09 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2jan h ALA 320 Cb 0.03 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2jan h ALA 320 CO -0.07 -0.53 0.57 1.03 0.00 0.00 0.00 179.25 180.26 2jan h SER 321 N -0.08 0.97 -0.08 0.00 0.87 0.55 -0.53 113.55 115.26 2jan h SER 321 Ca 0.09 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 2jan h SER 321 Cb 0.22 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2jan h SER 321 CO -0.21 0.69 -0.26 0.03 -0.53 0.00 0.00 176.83 176.54 2jan h ARG 322 N 1.14 0.32 -0.59 2.24 3.08 -0.45 -3.22 114.38 116.90 2jan h ARG 322 Ca 0.34 -0.24 0.12 0.00 0.07 0.00 0.00 59.98 60.27 2jan h ARG 322 Cb -0.06 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 29.92 2jan h ARG 322 CO -0.10 0.86 -0.08 0.00 -1.07 0.00 0.00 179.97 179.58 2jan h ALA 323 N 0.46 0.47 0.00 0.04 0.00 -0.26 0.12 119.26 120.10 2jan h ALA 323 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jan h ALA 323 Cb 0.89 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jan h ALA 323 CO 0.06 -0.42 0.00 -0.07 0.00 0.00 0.00 179.25 178.82 2jan h LEU 324 N 0.05 0.00 -3.25 0.00 4.07 -1.14 -2.75 115.31 112.28 2jan h LEU 324 Ca 0.29 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 58.12 2jan h LEU 324 Cb 0.46 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.12 2jan h LEU 324 CO -0.56 0.00 -0.23 0.49 -1.08 0.00 0.00 178.44 177.06 2jan n PHE 325 N -2.98 0.79 -1.08 1.13 3.72 -0.67 -4.94 117.46 113.42 2jan n PHE 325 Ca -0.01 -1.60 -0.03 0.00 -0.05 0.00 0.00 57.45 55.76 2jan n PHE 325 Cb 0.16 -0.42 -0.01 0.00 -0.94 0.00 0.00 39.48 38.27 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 -1.12 0.43 1.26 1.37 0.00 -1.04 -4.83 105.19 101.27 2jan n GLY 326 Ca 0.29 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.34 2jan n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jan n ARG 327 N -0.96 2.60 0.00 1.61 5.12 0.34 -4.98 116.66 120.38 2jan n ARG 327 Ca -0.03 -2.47 0.00 0.00 -1.93 0.00 0.00 57.85 53.42 2jan n ARG 327 Cb 0.33 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 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 1.59 3.95 1.71 -0.13 0.00 -1.10 -4.59 105.19 106.62 2jan n GLY 328 Ca 0.23 -0.43 0.03 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 0.28 0.19 1.61 0.00 -1.26 -4.79 120.64 116.67 2jan n GLU 329 Ca 0.00 -2.23 0.01 0.00 0.00 0.00 0.00 57.16 54.95 2jan n GLU 329 Cb 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 31.44 31.27 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 1.25 0.00 -1.80 -1.84 8.10 -1.92 0.19 115.31 119.28 2jan h LEU 330 Ca -0.22 0.00 0.09 0.00 0.11 0.00 0.00 57.88 57.87 2jan h LEU 330 Cb 1.80 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.99 2jan h LEU 330 CO 0.11 0.00 0.32 0.00 -4.11 0.00 0.00 178.44 174.76 2jan h ALA 331 N 0.22 2.14 -0.01 0.17 0.00 -1.97 -2.78 119.26 117.04 2jan h ALA 331 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jan h ALA 331 Cb 1.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2jan h ALA 331 CO 0.00 -0.26 -0.05 0.54 0.00 0.00 0.00 179.25 179.48 2jan n ARG 332 N -4.46 1.11 -2.85 0.00 1.74 0.66 -4.84 116.66 108.03 2jan n ARG 332 Ca 0.07 -0.43 -0.41 0.00 -0.77 0.00 0.00 57.85 56.31 2jan n ARG 332 Cb 0.38 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 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 -2.19 4.47 0.33 0.55 1.43 -1.05 -5.05 118.68 117.16 2jan s LEU 333 Ca 0.37 1.62 -0.21 0.00 -1.03 0.00 0.00 54.13 54.88 2jan s LEU 333 Cb 0.21 -3.41 -0.10 0.00 0.03 0.00 0.00 46.19 42.92 2jan s LEU 333 CO 0.40 -0.04 0.85 1.51 0.23 0.00 0.00 176.35 179.30 2jan s ASP 334 N 0.04 7.04 0.29 2.29 -4.77 -1.26 -4.81 116.67 115.49 2jan s ASP 334 Ca 0.43 1.57 0.01 0.00 -3.30 0.00 0.00 52.55 51.26 2jan s ASP 334 Cb -0.22 -2.48 0.68 0.00 -1.09 0.00 0.00 42.92 39.81 2jan s ASP 334 CO 0.26 -0.15 1.63 1.05 0.70 0.00 0.00 175.17 178.66 2jan h GLU 335 N 2.69 0.14 -0.37 2.11 9.09 -1.98 0.73 114.58 127.00 2jan h GLU 335 Ca -0.48 -0.01 0.07 0.00 0.05 0.00 0.00 59.36 58.99 2jan h GLU 335 Cb 1.18 -0.03 -0.06 0.00 -1.65 0.00 0.00 28.75 28.19 2jan h GLU 335 CO 0.64 0.10 -0.03 0.00 0.05 0.00 0.00 179.01 179.77 2jan h ALA 336 N 1.81 0.30 0.43 1.06 0.00 -1.99 0.15 119.26 121.02 2jan h ALA 336 Ca 0.54 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.55 2jan h ALA 336 Cb 1.08 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2jan h ALA 336 CO -0.71 -0.42 -0.21 1.15 0.00 0.00 0.00 179.25 179.07 2jan h THR 337 N 0.06 0.56 -0.59 0.00 2.02 -1.25 -2.08 112.91 111.63 2jan h THR 337 Ca 0.18 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.12 2jan h THR 337 Cb 0.26 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2jan h THR 337 CO -0.33 0.05 0.35 0.25 0.37 0.00 0.00 175.52 176.21 2jan h LEU 338 N -0.75 0.56 0.35 2.58 5.85 -1.28 -0.15 115.31 122.47 2jan h LEU 338 Ca -0.06 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2jan h LEU 338 Cb 0.53 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2jan h LEU 338 CO 0.10 0.38 -0.31 0.00 -0.34 0.00 0.00 178.44 178.27 2jan h ALA 339 N 1.27 -0.69 -0.45 1.25 0.00 -0.72 -0.32 119.26 119.61 2jan h ALA 339 Ca 0.24 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2jan h ALA 339 Cb 0.05 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 2jan h ALA 339 CO -0.11 -0.92 -0.18 0.00 0.00 0.00 0.00 179.25 178.04 2jan h ALA 340 N -0.16 0.18 -0.32 0.00 0.00 -1.14 -0.03 119.26 117.80 2jan h ALA 340 Ca -0.02 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2jan h ALA 340 Cb 0.60 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2jan h ALA 340 CO -0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 179.25 178.68 2jan h ALA 341 N 1.28 0.27 -0.13 0.00 0.00 -0.74 -2.55 119.26 117.39 2jan h ALA 341 Ca 0.22 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2jan h ALA 341 Cb 0.41 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2jan h ALA 341 CO -0.50 -0.42 -0.36 -0.07 0.00 0.00 0.00 179.25 177.90 2jan h LEU 342 N 0.07 0.27 0.00 0.00 4.07 -0.50 -2.98 115.31 116.24 2jan h LEU 342 Ca 0.15 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2jan h LEU 342 Cb 0.21 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.88 2jan h LEU 342 CO -0.27 0.62 0.00 -2.11 -1.08 0.00 0.00 178.44 175.60 2jan n ARG 343 N -4.07 0.12 0.06 1.13 0.00 -0.07 -1.82 116.66 112.02 2jan n ARG 343 Ca -0.01 0.16 -0.04 0.00 -0.00 0.00 0.00 57.85 57.96 2jan n ARG 343 Cb 0.45 -1.50 -0.08 0.00 -0.00 0.00 0.00 32.46 31.33 2jan n ARG 343 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2jan h GLU 344 N 0.00 0.00 -7.02 2.89 4.39 -1.52 -3.46 114.58 109.86 2jan h GLU 344 Ca 0.00 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.25 2jan h GLU 344 Cb 0.24 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 28.95 2jan h GLU 344 CO 0.00 0.65 0.08 0.95 -1.16 0.00 0.00 179.01 179.53 2jan s THR 345 N -2.79 2.90 0.35 1.13 -4.23 -0.75 -5.06 115.64 107.18 2jan s THR 345 Ca 0.00 -0.39 -0.27 0.00 -1.18 0.00 0.00 61.69 59.85 2jan s THR 345 Cb 0.09 -3.15 -0.09 0.00 1.34 0.00 0.00 72.50 70.69 2jan s THR 345 CO 0.80 -0.13 1.22 0.42 -0.54 0.00 0.00 174.62 176.38 2jan s THR 346 N -2.93 3.02 -0.09 3.99 -4.23 -1.26 -4.91 115.64 109.22 2jan s THR 346 Ca 0.56 0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 62.01 2jan s THR 346 Cb -0.10 -3.58 0.03 0.00 1.34 0.00 0.00 72.50 70.19 2jan s THR 346 CO 0.42 0.18 0.01 -0.69 -0.54 0.00 0.00 174.62 173.99 2jan s VAL 347 N -1.25 0.36 -0.29 2.29 1.01 -1.26 -2.56 120.40 118.70 2jan s VAL 347 Ca 0.51 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 62.26 2jan s VAL 347 Cb -0.35 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.46 2jan s VAL 347 CO 0.45 0.18 1.02 0.00 0.00 0.00 0.00 175.10 176.75 2jan s ALA 348 N 1.97 3.56 -0.82 5.51 0.00 -0.89 -4.88 121.76 126.21 2jan s ALA 348 Ca 0.04 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 2jan s ALA 348 Cb -0.13 -3.58 0.15 0.00 0.00 0.00 0.00 23.12 19.56 2jan s ALA 348 CO -0.06 -1.30 0.92 -1.83 0.00 0.00 0.00 175.76 173.49 2jan s GLU 349 N 3.41 3.46 0.10 0.00 -1.05 -1.26 -1.24 118.70 122.12 2jan s GLU 349 Ca 0.43 -1.84 -0.30 0.00 -0.15 0.00 0.00 54.97 53.11 2jan s GLU 349 Cb -0.13 -4.60 -0.06 0.00 -0.44 0.00 0.00 34.13 28.89 2jan s GLU 349 CO 0.12 -1.58 1.08 -1.17 0.95 0.00 0.00 175.26 174.66 2jan s LEU 350 N 1.98 4.44 0.51 1.83 0.20 0.12 -4.86 118.68 122.89 2jan s LEU 350 Ca 0.23 1.94 0.01 0.00 0.69 0.00 0.00 54.13 57.00 2jan s LEU 350 Cb -0.11 -3.59 -0.00 0.00 -0.43 0.00 0.00 46.19 42.06 2jan s LEU 350 CO -0.05 -0.26 0.02 -1.59 -0.29 0.00 0.00 176.35 174.17 2jan s LYS 351 N 0.32 2.20 0.46 1.98 0.00 -1.26 -0.50 119.74 122.94 2jan s LYS 351 Ca 0.52 -2.42 -0.23 0.00 0.00 0.00 0.00 55.97 53.84 2jan s LYS 351 Cb -0.27 -1.39 -0.09 0.00 0.00 0.00 0.00 37.83 36.08 2jan s LYS 351 CO 0.31 -0.43 0.97 -2.30 0.00 0.00 0.00 175.35 173.91 2jan n PRO 352 N -1.26 1.23 0.00 1.78 -0.02 -1.26 -3.75 135.00 131.71 2jan n PRO 352 Ca -0.20 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2jan n PRO 352 Cb 0.67 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 1.24 -0.19 2.05 -1.23 0.00 -1.26 -4.97 105.19 100.83 2jan n GLY 353 Ca 0.10 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 1.78 -0.93 0.00 1.61 3.41 -1.25 -4.54 113.62 113.70 2jan n SER 354 Ca 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2jan n SER 354 Cb 0.00 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 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 -3.07 0.00 -1.92 4.33 -0.02 -1.26 -4.94 135.00 128.12 2jan n PRO 355 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.32 2jan n PRO 355 Cb 0.00 -0.35 -0.04 0.00 -0.02 0.00 0.00 33.50 33.10 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 -4.90 -3.74 2.55 2.03 -1.26 -4.95 116.55 106.29 2jan n ASP 356 Ca 0.00 0.18 -0.13 0.00 0.52 0.00 0.00 54.79 55.36 2jan n ASP 356 Cb 0.00 -3.92 -0.10 0.00 -0.72 0.00 0.00 41.12 36.37 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 -2.53 -0.29 0.31 0.27 0.00 -1.26 -4.27 107.32 99.55 2jan s GLY 357 Ca 0.00 1.14 0.07 0.00 0.00 0.00 0.00 44.72 45.93 2jan s GLY 357 CO 0.00 1.02 1.70 1.19 0.00 0.00 0.00 173.10 177.01 2jan h ILE 358 N 4.65 0.45 -0.11 0.90 6.09 -1.66 0.51 117.51 128.34 2jan h ILE 358 Ca -0.28 -0.15 -0.01 0.00 -1.37 0.00 0.00 64.86 63.06 2jan h ILE 358 Cb 1.18 -0.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.45 2jan h ILE 358 CO 0.27 0.08 0.04 0.58 -3.07 0.00 0.00 178.15 176.05 2jan h VAL 359 N 0.43 1.15 0.46 2.19 2.07 -1.86 -1.59 116.25 119.10 2jan h VAL 359 Ca 0.62 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 2jan h VAL 359 Cb 1.23 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2jan h VAL 359 CO -0.54 0.13 -0.22 0.44 0.02 0.00 0.00 177.57 177.41 2jan h ASP 360 N 0.02 -0.52 -0.88 0.57 3.32 -0.58 -3.01 116.42 115.33 2jan h ASP 360 Ca 0.04 -0.04 0.17 0.00 0.02 0.00 0.00 57.03 57.21 2jan h ASP 360 Cb 0.17 0.14 -0.10 0.00 0.22 0.00 0.00 39.33 39.76 2jan h ASP 360 CO -0.00 -0.28 0.45 -0.07 -1.72 0.00 0.00 179.24 177.61 2jan h LEU 361 N -0.74 0.52 -0.59 1.55 4.07 -0.34 -0.97 115.31 118.80 2jan h LEU 361 Ca -0.06 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2jan h LEU 361 Cb 0.53 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 2jan h LEU 361 CO 0.10 0.18 0.37 -0.07 -1.08 0.00 0.00 178.44 177.94 2jan h LEU 362 N 0.59 0.69 -0.21 1.67 3.38 -1.17 -0.45 115.31 119.82 2jan h LEU 362 Ca 0.50 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 58.27 2jan h LEU 362 Cb 0.78 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2jan h LEU 362 CO -0.40 0.53 -0.48 0.58 0.09 0.00 0.00 178.44 178.76 2jan h VAL 363 N 0.79 1.31 -0.27 1.22 2.07 -1.26 0.22 116.25 120.34 2jan h VAL 363 Ca 0.21 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.03 2jan h VAL 363 Cb -0.05 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2jan h VAL 363 CO -0.04 0.54 0.17 0.00 0.02 0.00 0.00 177.57 178.25 2jan h ALA 364 N 0.60 0.34 0.00 1.67 0.00 -1.08 -2.31 119.26 118.48 2jan h ALA 364 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jan h ALA 364 Cb 1.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jan h ALA 364 CO 0.11 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.05 2jan n SER 365 N -4.88 0.00 -0.38 0.00 3.41 -0.19 -4.61 113.62 106.97 2jan n SER 365 Ca -0.02 -0.32 -0.05 0.00 -0.26 0.00 0.00 58.87 58.22 2jan n SER 365 Cb 0.04 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.34 0.76 0.15 5.00 0.00 -0.87 -4.63 105.19 105.94 2jan n GLY 366 Ca 0.12 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 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 0.76 -8.92 0.99 3.38 -0.84 -3.45 115.31 107.23 2jan h LEU 367 Ca -0.10 -0.91 -0.69 0.00 0.09 0.00 0.00 57.88 56.27 2jan h LEU 367 Cb 0.34 -0.25 -0.23 0.00 0.09 0.00 0.00 40.66 40.61 2jan h LEU 367 CO 0.15 1.73 -0.75 -0.44 0.09 0.00 0.00 178.44 179.22 2jan s SER 368 N -7.47 4.16 -0.01 -0.43 0.01 -0.51 -4.98 113.70 104.47 2jan s SER 368 Ca -0.11 -0.17 -0.13 0.00 1.31 0.00 0.00 55.95 56.85 2jan s SER 368 Cb 0.05 -0.99 -0.07 0.00 0.21 0.00 0.00 66.02 65.22 2jan s SER 368 CO 0.91 0.33 0.74 0.00 0.41 0.00 0.00 173.24 175.63 2jan h ALA 369 N 5.46 -0.67 -2.40 1.44 0.00 -1.88 -3.35 119.26 117.86 2jan h ALA 369 Ca -0.45 -0.10 -0.51 0.00 0.00 0.00 0.00 54.91 53.85 2jan h ALA 369 Cb 1.16 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2jan h ALA 369 CO 0.51 -0.64 -0.30 -1.12 0.00 0.00 0.00 179.25 177.70 2jan s SER 370 N -3.79 6.36 0.46 0.00 0.01 -1.26 -4.91 113.70 110.56 2jan s SER 370 Ca -0.07 0.38 0.18 0.00 1.31 0.00 0.00 55.95 57.76 2jan s SER 370 Cb 0.01 -2.00 1.09 0.00 0.21 0.00 0.00 66.02 65.33 2jan s SER 370 CO 0.20 -0.12 1.99 0.11 0.41 0.00 0.00 173.24 175.82 2jan h LYS 371 N 1.54 0.00 -0.31 12.44 1.57 -1.91 -2.25 116.57 127.65 2jan h LYS 371 Ca -0.49 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 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 0.65 0.20 0.09 0.78 -0.57 0.00 0.00 179.45 180.60 2jan h GLY 372 N 0.76 0.52 1.01 3.86 0.00 -1.98 -2.83 103.07 104.42 2jan h GLY 372 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2jan h GLY 372 CO 0.03 0.30 0.45 0.00 0.00 0.00 0.00 176.54 177.31 2jan h ALA 373 N 0.92 0.98 0.29 3.60 0.00 -1.85 -2.20 119.26 121.00 2jan h ALA 373 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jan h ALA 373 Cb 0.27 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2jan h ALA 373 CO -0.00 0.46 -0.29 0.00 0.00 0.00 0.00 179.25 179.42 2jan h ALA 374 N 1.24 -0.60 -0.55 0.00 0.00 -1.42 -2.11 119.26 115.82 2jan h ALA 374 Ca 0.27 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2jan h ALA 374 Cb -0.01 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 2jan h ALA 374 CO -0.05 -0.87 -0.05 0.00 0.00 0.00 0.00 179.25 178.28 2jan h ARG 375 N -0.61 0.07 0.22 0.00 3.08 -1.26 -1.20 114.38 114.69 2jan h ARG 375 Ca -0.01 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2jan h ARG 375 Cb 0.55 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2jan h ARG 375 CO -0.06 0.05 -0.28 -0.09 -1.07 0.00 0.00 179.97 178.52 2jan h ARG 376 N 0.07 -0.50 -0.98 0.04 2.43 -0.96 -1.92 114.38 112.57 2jan h ARG 376 Ca 0.28 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.57 2jan h ARG 376 Cb 0.44 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.03 2jan h ARG 376 CO -0.51 -0.34 0.62 1.79 -1.51 0.00 0.00 179.97 180.03 2jan h THR 377 N -0.52 1.02 -0.57 0.20 1.35 -1.18 -0.32 112.91 112.89 2jan h THR 377 Ca -0.03 -0.37 0.12 0.00 -0.55 0.00 0.00 66.41 65.58 2jan h THR 377 Cb 0.47 -0.15 -0.10 0.00 -1.73 0.00 0.00 68.15 66.64 2jan h THR 377 CO -0.07 0.20 -0.04 0.40 -0.25 0.00 0.00 175.52 175.76 2jan h ILE 378 N 1.07 0.50 0.00 6.82 2.04 -0.98 -0.95 117.51 126.01 2jan h ILE 378 Ca 0.45 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.28 2jan h ILE 378 Cb 0.28 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2jan h ILE 378 CO -0.21 0.01 0.00 1.41 0.00 0.00 0.00 178.15 179.37 2jan n HIS 379 N -5.30 0.00 0.03 1.37 8.25 -0.18 -1.80 115.22 117.59 2jan n HIS 379 Ca 0.07 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.62 2jan n HIS 379 Cb 0.32 -0.36 0.27 0.00 1.12 0.00 0.00 29.99 31.34 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 2.58 -0.80 -0.41 1.02 -0.40 -4.95 120.64 116.32 2jan n GLU 380 Ca 0.09 -2.19 0.00 0.00 -0.02 0.00 0.00 57.16 55.04 2jan n GLU 380 Cb 0.21 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.34 0.19 0.00 0.62 0.00 -0.74 -4.87 105.19 101.73 2jan n GLY 381 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.06 -1.24 3.84 -0.02 0.00 -0.94 -4.79 105.19 100.98 2jan n GLY 382 Ca 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.79 5.29 -0.01 1.61 1.01 -1.26 -1.10 120.40 123.15 2jan s VAL 383 Ca 0.18 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.28 2jan s VAL 383 Cb 0.17 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2jan s VAL 383 CO 0.42 0.62 0.03 -0.44 0.00 0.00 0.00 175.10 175.72 2jan s SER 384 N -0.99 0.02 -0.21 3.32 0.01 -0.57 -2.26 113.70 113.02 2jan s SER 384 Ca 0.15 0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.37 2jan s SER 384 Cb -0.12 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 2jan s SER 384 CO 0.04 -0.06 0.08 -0.69 0.41 0.00 0.00 173.24 173.02 2jan s VAL 385 N 0.52 4.83 -1.52 3.43 1.01 -0.60 -1.35 120.40 126.72 2jan s VAL 385 Ca -0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 2jan s VAL 385 Cb -0.06 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.19 2jan s VAL 385 CO -0.02 0.42 0.94 0.59 0.00 0.00 0.00 175.10 177.03 2jan n ASN 386 N 3.92 -4.84 0.00 3.32 3.02 0.97 -1.44 115.26 120.20 2jan n ASN 386 Ca -0.16 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 2jan n ASN 386 Cb 0.52 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 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 -2.78 -0.20 -4.74 6.41 3.02 -1.26 -4.98 115.26 110.73 2jan n ASN 387 Ca 0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.23 2jan n ASN 387 Cb 0.53 -1.04 -0.08 0.00 -0.61 0.00 0.00 39.78 38.58 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 -2.74 5.13 0.53 2.41 1.01 -0.52 -5.03 121.20 122.00 2jan s ILE 388 Ca 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.54 2jan s ILE 388 Cb 0.00 -3.29 -0.06 0.00 0.01 0.00 0.00 42.46 39.12 2jan s ILE 388 CO 0.00 0.51 1.07 -0.60 0.00 0.00 0.00 174.94 175.92 2jan s ARG 389 N -0.15 3.54 -0.29 2.79 3.52 -1.26 -1.56 118.95 125.54 2jan s ARG 389 Ca 0.09 1.39 0.02 0.00 -0.13 0.00 0.00 55.73 57.09 2jan s ARG 389 Cb -0.12 -2.05 0.06 0.00 -1.56 0.00 0.00 34.95 31.28 2jan s ARG 389 CO 0.01 -0.65 -0.05 0.08 -0.81 0.00 0.00 175.30 173.88 2jan s VAL 390 N -2.05 2.45 -0.08 7.11 1.01 -0.96 -4.85 120.40 123.03 2jan s VAL 390 Ca 0.68 -1.67 -0.23 0.00 0.00 0.00 0.00 61.98 60.76 2jan s VAL 390 Cb -0.18 -2.48 -0.29 0.00 0.00 0.00 0.00 36.38 33.42 2jan s VAL 390 CO 0.26 -0.14 0.80 0.44 0.00 0.00 0.00 175.10 176.46 2jan h ASP 391 N 7.82 0.34 -3.08 3.32 3.32 -1.89 -3.45 116.42 122.80 2jan h ASP 391 Ca -0.18 -0.93 -0.54 0.00 0.02 0.00 0.00 57.03 55.40 2jan h ASP 391 Cb 1.04 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 2jan h ASP 391 CO 0.50 1.34 0.68 0.21 -1.72 0.00 0.00 179.24 180.25 2jan s ASN 392 N -6.81 7.02 0.43 6.45 3.04 -1.26 -4.76 114.94 119.06 2jan s ASN 392 Ca -0.16 1.93 0.19 0.00 0.04 0.00 0.00 52.86 54.86 2jan s ASN 392 Cb 0.01 -2.56 1.00 0.00 -1.54 0.00 0.00 41.25 38.15 2jan s ASN 392 CO 0.78 -0.57 1.92 -0.08 -3.04 0.00 0.00 177.10 176.11 2jan h GLU 393 N 7.32 0.00 -0.61 0.43 4.81 -1.96 -3.05 114.58 121.53 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 0.26 0.00 -1.91 -0.73 0.00 0.00 179.01 177.49 2jan n GLU 394 N -3.90 2.62 -1.35 1.92 4.07 -1.26 -4.34 120.64 118.40 2jan n GLU 394 Ca -0.02 -2.49 -0.48 0.00 -0.06 0.00 0.00 57.16 54.11 2jan n GLU 394 Cb 0.34 -1.55 -0.04 0.00 -0.06 0.00 0.00 31.44 30.13 2jan n GLU 394 CO 0.00 0.00 0.00 1.87 -0.06 0.00 0.00 177.13 178.94 2jan n TRP 395 N 1.57 -0.16 -4.86 4.31 -0.00 -1.15 -4.78 117.44 112.37 2jan n TRP 395 Ca 0.23 0.94 -0.26 0.00 -0.00 0.00 0.00 57.50 58.41 2jan n TRP 395 Cb 0.61 -1.89 -0.15 0.00 -0.00 0.00 0.00 31.31 29.88 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 -0.68 1.55 -0.20 5.87 0.11 -1.26 -1.96 120.40 123.83 2jan s VAL 396 Ca 0.68 -0.91 -0.29 0.00 -2.93 0.00 0.00 61.98 58.52 2jan s VAL 396 Cb -0.97 -1.30 -0.02 0.00 -1.53 0.00 0.00 36.38 32.56 2jan s VAL 396 CO 0.53 0.37 1.45 -2.16 -3.33 0.00 0.00 175.10 171.96 2jan s PRO 397 N -0.63 4.01 0.81 1.54 0.04 -1.26 -5.01 135.00 134.49 2jan s PRO 397 Ca 0.07 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 2jan s PRO 397 Cb -0.08 -3.92 0.08 0.00 0.04 0.00 0.00 34.50 30.63 2jan s PRO 397 CO -0.00 -1.02 1.10 -1.14 0.04 0.00 0.00 177.00 175.98 2jan s GLN 398 N 4.13 1.90 0.19 4.56 0.74 -1.26 -4.96 119.66 124.96 2jan s GLN 398 Ca 0.64 1.24 -0.10 0.00 0.05 0.00 0.00 55.36 57.18 2jan s GLN 398 Cb -0.23 -1.85 0.12 0.00 1.10 0.00 0.00 33.01 32.14 2jan s GLN 398 CO 0.24 -1.92 1.79 1.03 -0.55 0.00 0.00 175.29 175.88 2jan h SER 399 N -1.33 0.90 0.55 6.67 0.87 -2.01 -2.92 113.55 116.27 2jan h SER 399 Ca -0.44 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2jan h SER 399 Cb 1.24 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2jan h SER 399 CO 0.49 0.77 0.00 -1.54 -0.53 0.00 0.00 176.83 176.02 2jan n SER 400 N -4.45 0.00 0.03 6.23 3.41 -1.26 -3.39 113.62 114.18 2jan n SER 400 Ca 0.06 0.33 -0.06 0.00 -0.26 0.00 0.00 58.87 58.94 2jan n SER 400 Cb 0.12 -0.43 0.14 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.89 -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 39.71 2jan h ASP 401 CO 0.00 0.85 0.90 -0.36 -1.72 0.00 0.00 179.24 178.91 2jan s PHE 402 N -4.15 2.76 0.05 4.55 0.40 -1.22 -4.87 117.98 115.50 2jan s PHE 402 Ca -0.06 0.57 -0.31 0.00 -0.60 0.00 0.00 56.93 56.53 2jan s PHE 402 Cb 0.12 -3.86 -0.05 0.00 0.51 0.00 0.00 43.02 39.74 2jan s PHE 402 CO 0.81 -3.30 1.22 -0.51 0.70 0.00 0.00 175.22 174.14 2jan s LEU 403 N 2.05 4.36 -1.20 -0.37 2.01 0.68 -2.98 118.68 123.23 2jan s LEU 403 Ca 0.70 2.02 -0.04 0.00 0.01 0.00 0.00 54.13 56.82 2jan s LEU 403 Cb -0.39 -3.58 0.03 0.00 0.01 0.00 0.00 46.19 42.26 2jan s LEU 403 CO 0.31 -0.51 0.24 1.41 1.01 0.00 0.00 176.35 178.80 2jan n HIS 404 N 4.16 -1.60 -0.67 0.29 8.25 -1.26 -1.54 115.22 122.85 2jan n HIS 404 Ca 0.10 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 2jan n HIS 404 Cb 0.46 -3.03 0.00 0.00 1.12 0.00 0.00 29.99 28.54 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 -1.01 0.33 0.01 -1.41 0.00 -1.16 -4.73 105.19 97.22 2jan n GLY 405 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.98 3.16 -4.96 1.61 1.74 -0.59 -4.82 116.66 110.83 2jan n ARG 406 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 2jan n ARG 406 Cb 0.00 -1.05 -0.16 0.00 -1.02 0.00 0.00 32.46 30.23 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 -2.05 1.85 0.09 -1.55 0.52 -0.75 -0.90 118.94 116.15 2jan s TRP 407 Ca -0.01 -0.46 0.09 0.00 0.02 0.00 0.00 56.10 55.74 2jan s TRP 407 Cb 0.01 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 31.07 2jan s TRP 407 CO 0.08 -0.12 -0.22 -0.51 0.02 0.00 0.00 176.95 176.21 2jan s LEU 408 N -0.20 2.49 -0.28 2.99 1.43 -0.54 -0.23 118.68 124.34 2jan s LEU 408 Ca 0.01 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2jan s LEU 408 Cb -0.10 -1.41 0.06 0.00 0.03 0.00 0.00 46.19 44.76 2jan s LEU 408 CO 0.01 0.21 -0.07 -0.69 0.23 0.00 0.00 176.35 176.04 2jan s VAL 409 N -1.01 2.43 0.18 -1.59 1.01 -1.26 -1.67 120.40 118.49 2jan s VAL 409 Ca 0.15 -1.59 -0.10 0.00 0.00 0.00 0.00 61.98 60.44 2jan s VAL 409 Cb -0.10 -2.43 -0.07 0.00 0.00 0.00 0.00 36.38 33.78 2jan s VAL 409 CO 0.06 -0.07 0.51 -0.76 0.00 0.00 0.00 175.10 174.84 2jan s LEU 410 N 1.14 4.24 -0.12 3.92 1.43 -0.12 -0.02 118.68 129.15 2jan s LEU 410 Ca -0.07 0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 53.84 2jan s LEU 410 Cb -0.20 -3.46 0.04 0.00 0.03 0.00 0.00 46.19 42.60 2jan s LEU 410 CO -0.04 0.01 0.31 -0.60 0.23 0.00 0.00 176.35 176.26 2jan s ARG 411 N -2.49 0.32 -0.07 1.70 3.52 -0.46 -1.85 118.95 119.62 2jan s ARG 411 Ca 0.43 0.52 0.00 0.00 -0.13 0.00 0.00 55.73 56.55 2jan s ARG 411 Cb -0.12 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.29 2jan s ARG 411 CO 0.21 -0.10 -0.05 0.50 -0.81 0.00 0.00 175.30 175.05 2jan s ARG 412 N 0.69 2.81 4.56 5.12 3.52 -0.12 -1.52 118.95 134.01 2jan s ARG 412 Ca -0.04 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 2jan s ARG 412 Cb -0.06 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.69 2jan s ARG 412 CO -0.04 0.68 0.00 0.41 -0.81 0.00 0.00 175.30 175.53 2jan n GLY 413 N 2.18 2.66 0.08 8.12 0.00 -0.26 -2.77 105.19 115.21 2jan n GLY 413 Ca -0.18 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.56 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 2.94 0.00 1.61 4.01 -1.26 -4.83 118.16 134.63 2jan n LYS 414 Ca 0.00 -1.60 0.00 0.00 -0.51 0.00 0.00 58.31 56.20 2jan n LYS 414 Cb 0.00 -1.05 0.00 0.00 -0.51 0.00 0.00 35.03 33.47 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 -0.41 2.15 -4.22 1.97 1.85 -1.22 -4.94 116.66 111.84 2jan n ARG 415 Ca 0.02 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.53 2jan n ARG 415 Cb 0.28 -0.79 -0.14 0.00 -1.05 0.00 0.00 32.46 30.76 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 -2.29 4.23 0.08 2.89 0.01 -1.11 -5.04 113.70 112.46 2jan s SER 416 Ca 0.00 -0.35 0.05 0.00 1.31 0.00 0.00 55.95 56.96 2jan s SER 416 Cb 0.00 -1.70 -0.03 0.00 0.21 0.00 0.00 66.02 64.50 2jan s SER 416 CO 0.00 0.05 -0.14 0.27 0.41 0.00 0.00 173.24 173.83 2jan s ILE 417 N 1.02 1.15 0.05 1.44 -4.36 -1.26 -0.95 121.20 118.30 2jan s ILE 417 Ca -0.00 -1.38 -0.04 0.00 -0.26 0.00 0.00 60.65 58.97 2jan s ILE 417 Cb -0.15 -1.16 -0.02 0.00 1.25 0.00 0.00 42.46 42.39 2jan s ILE 417 CO -0.01 -0.25 0.06 0.00 0.24 0.00 0.00 174.94 174.98 2jan s ALA 418 N -1.42 0.12 0.42 2.27 0.00 -0.77 -4.72 121.76 117.66 2jan s ALA 418 Ca -0.00 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.24 2jan s ALA 418 Cb -0.09 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2jan s ALA 418 CO 0.02 -0.36 0.37 0.20 0.00 0.00 0.00 175.76 176.00 2jan s GLY 419 N -2.49 2.15 -0.11 0.00 0.00 -1.06 -0.94 107.32 104.87 2jan s GLY 419 Ca 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 44.72 42.80 2jan s GLY 419 CO -0.07 -1.72 0.14 0.14 0.00 0.00 0.00 173.10 171.59 2jan s VAL 420 N -2.49 -0.21 -0.28 1.40 1.01 -0.67 -2.10 120.40 117.06 2jan s VAL 420 Ca 0.48 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.55 2jan s VAL 420 Cb -0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 2jan s VAL 420 CO 0.28 0.01 0.12 -0.70 0.00 0.00 0.00 175.10 174.80 2jan s GLU 421 N 2.24 3.57 0.29 2.72 2.12 -0.37 -1.47 118.70 127.79 2jan s GLU 421 Ca 0.04 -0.55 -0.29 0.00 0.36 0.00 0.00 54.97 54.52 2jan s GLU 421 Cb -0.13 -3.47 -0.10 0.00 0.26 0.00 0.00 34.13 30.68 2jan s GLU 421 CO -0.07 -0.28 1.34 0.50 -0.54 0.00 0.00 175.26 176.20 2jan s ARG 422 N 1.64 4.34 0.07 4.30 3.52 -0.08 0.12 118.95 132.86 2jan s ARG 422 Ca 0.06 2.20 0.02 0.00 -0.13 0.00 0.00 55.73 57.88 2jan s ARG 422 Cb -0.16 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 2jan s ARG 422 CO 0.06 -0.25 -0.07 0.42 -0.81 0.00 0.00 175.30 174.66 2jan s ILE 423 N -0.67 0.58 0.00 4.11 -1.09 0.35 -4.89 121.20 119.58 2jan s ILE 423 Ca 0.53 -1.55 0.00 0.00 -2.23 0.00 0.00 60.65 57.39 2jan s ILE 423 Cb -0.40 -1.20 0.00 0.00 -1.58 0.00 0.00 42.46 39.29 2jan s ILE 423 CO 0.48 -0.68 0.26 0.61 -1.23 0.00 0.00 174.94 174.38