#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2old n ALA 3 N 0.00 0.76 -2.54 -0.43 0.00 -1.26 -4.90 120.51 112.15 2old n ALA 3 Ca 0.00 0.17 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 2old n ALA 3 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.24 2old n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2old s LEU 4 N -1.76 3.58 0.30 0.00 1.43 -0.65 -4.91 118.68 116.68 2old s LEU 4 Ca 0.67 0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 53.94 2old s LEU 4 Cb -0.48 -3.46 -0.11 0.00 0.03 0.00 0.00 46.19 42.17 2old s LEU 4 CO 0.53 -1.35 1.45 -2.16 0.23 0.00 0.00 176.35 175.05 2old s PRO 5 N 4.69 4.22 0.05 1.29 0.04 -1.25 -3.03 135.00 141.01 2old s PRO 5 Ca 0.50 2.40 -0.02 0.00 0.04 0.00 0.00 61.00 63.91 2old s PRO 5 Cb -0.08 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 2old s PRO 5 CO 0.31 -0.44 0.02 1.14 0.04 0.00 0.00 177.00 178.07 2old s GLN 6 N -1.08 0.60 0.17 4.56 -2.07 -1.26 -1.94 119.66 118.64 2old s GLN 6 Ca 0.56 -1.04 -0.33 0.00 -1.82 0.00 0.00 55.36 52.73 2old s GLN 6 Cb -0.44 0.22 -0.15 0.00 -1.09 0.00 0.00 33.01 31.55 2old s GLN 6 CO 0.51 -0.13 1.27 -2.30 -1.32 0.00 0.00 175.29 173.32 2old n PRO 7 N 0.38 1.40 0.10 9.60 -0.02 -1.26 -4.82 135.00 140.38 2old n PRO 7 Ca -0.16 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.69 2old n PRO 7 Cb 0.60 -2.07 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 2old n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2old h ALA 8 N 3.92 -0.22 -3.87 3.55 0.00 -1.97 -3.36 119.26 117.32 2old h ALA 8 Ca -0.44 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.02 2old h ALA 8 Cb 1.32 0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.91 2old h ALA 8 CO 0.74 -0.52 -0.75 0.45 0.00 0.00 0.00 179.25 179.17 2old s SER 9 N -5.19 0.54 0.02 0.00 0.15 -1.26 -1.68 113.70 106.28 2old s SER 9 Ca -0.15 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.40 2old s SER 9 Cb 0.04 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 2old s SER 9 CO 0.63 0.05 0.03 0.68 1.20 0.00 0.00 173.24 175.82 2old s VAL 10 N -0.07 0.11 0.06 4.45 -7.23 -0.89 -4.97 120.40 111.87 2old s VAL 10 Ca 0.01 -0.93 0.04 0.00 -1.81 0.00 0.00 61.98 59.29 2old s VAL 10 Cb -0.02 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 2old s VAL 10 CO -0.00 -0.51 -0.11 -0.94 -0.31 0.00 0.00 175.10 173.23 2old s SER 11 N -1.60 1.29 0.13 4.85 1.04 -1.26 -0.74 113.70 117.41 2old s SER 11 Ca -0.13 -0.63 -0.16 0.00 0.48 0.00 0.00 55.95 55.51 2old s SER 11 Cb -0.07 -0.00 0.04 0.00 0.10 0.00 0.00 66.02 66.08 2old s SER 11 CO -0.01 -0.17 0.41 -0.83 0.98 0.00 0.00 173.24 173.62 2old s GLY 12 N -1.82 -0.27 0.12 7.32 0.00 -0.00 -4.93 107.32 107.74 2old s GLY 12 Ca -0.04 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.67 2old s GLY 12 CO 0.01 -0.29 0.15 -0.56 0.00 0.00 0.00 173.10 172.41 2old s SER 13 N -2.81 5.80 0.14 1.64 0.01 -1.26 0.11 113.70 117.33 2old s SER 13 Ca 0.03 0.03 -0.34 0.00 1.31 0.00 0.00 55.95 56.98 2old s SER 13 Cb 0.02 -1.62 -0.16 0.00 0.21 0.00 0.00 66.02 64.46 2old s SER 13 CO -0.11 0.12 1.14 -2.65 0.41 0.00 0.00 173.24 172.14 2old n PRO 14 N -0.01 0.96 0.00 12.44 -0.02 -1.26 -1.47 135.00 145.65 2old n PRO 14 Ca -0.08 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2old n PRO 14 Cb 0.53 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 2old n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2old n GLY 15 N 2.03 3.13 3.88 -1.23 0.00 0.09 -4.84 105.19 108.24 2old n GLY 15 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2old n GLY 15 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2old n GLN 16 N -1.21 -1.20 -4.41 1.61 6.02 -0.54 -3.61 117.38 114.04 2old n GLN 16 Ca 0.00 -2.13 -0.29 0.00 -0.01 0.00 0.00 57.00 54.57 2old n GLN 16 Cb 0.00 -1.31 -0.13 0.00 1.02 0.00 0.00 30.24 29.82 2old n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2old s SER 17 N -5.82 3.53 0.02 1.08 0.01 -1.26 -1.38 113.70 109.88 2old s SER 17 Ca 0.75 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2old s SER 17 Cb -0.02 -0.36 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 2old s SER 17 CO 0.52 0.19 -0.04 -0.51 0.41 0.00 0.00 173.24 173.81 2old s ILE 18 N -1.07 0.18 -0.05 1.44 1.10 0.25 -4.98 121.20 118.07 2old s ILE 18 Ca 0.15 -0.88 0.02 0.00 -0.51 0.00 0.00 60.65 59.43 2old s ILE 18 Cb -0.10 -0.31 0.01 0.00 0.15 0.00 0.00 42.46 42.22 2old s ILE 18 CO 0.07 -0.44 -0.09 -0.89 -2.11 0.00 0.00 174.94 171.48 2old s THR 19 N -1.35 0.85 -0.05 4.00 2.01 -1.26 -0.78 115.64 119.06 2old s THR 19 Ca -0.14 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.59 2old s THR 19 Cb -0.09 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 2old s THR 19 CO -0.01 0.29 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.38 2old s ILE 20 N 0.67 2.54 0.24 1.82 1.01 0.50 -4.95 121.20 123.02 2old s ILE 20 Ca -0.12 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.70 2old s ILE 20 Cb -0.14 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 2old s ILE 20 CO 0.02 0.58 0.08 -0.44 0.00 0.00 0.00 174.94 175.18 2old s SER 21 N -0.47 5.04 -0.08 3.58 0.01 -1.26 -0.26 113.70 120.26 2old s SER 21 Ca 0.06 -0.41 -0.01 0.00 1.31 0.00 0.00 55.95 56.90 2old s SER 21 Cb -0.12 -1.14 0.03 0.00 0.21 0.00 0.00 66.02 65.00 2old s SER 21 CO 0.01 0.01 -0.03 0.00 0.41 0.00 0.00 173.24 173.64 2old s THR 23 N 1.72 4.26 0.00 0.00 2.01 -0.82 -0.15 115.64 122.66 2old s THR 23 Ca 0.02 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.81 2old s THR 23 Cb -0.13 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2old s THR 23 CO -0.05 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 2old n GLY 24 N 3.94 5.45 3.47 4.40 0.00 0.31 -3.83 105.19 118.94 2old n GLY 24 Ca -0.17 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 2old n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2old s THR 25 N -0.39 0.58 -0.25 2.61 -4.23 -1.26 -4.71 115.64 107.98 2old s THR 25 Ca 0.00 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.75 2old s THR 25 Cb 0.00 -2.41 0.24 0.00 1.34 0.00 0.00 72.50 71.67 2old s THR 25 CO 0.00 0.00 1.72 0.77 -0.54 0.00 0.00 174.62 176.57 2old h SER 26 N 1.89 0.00 1.68 3.99 4.64 -1.94 0.12 113.55 123.93 2old h SER 26 Ca -0.35 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 2old h SER 26 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2old h SER 26 CO 0.56 0.00 -0.32 0.28 -0.87 0.00 0.00 176.83 176.48 2old h SER 27 N 0.00 0.00 0.00 4.97 0.02 -1.95 -1.20 113.55 115.39 2old h SER 27 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2old h SER 27 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2old h SER 27 CO 0.00 0.10 0.00 -0.90 -1.14 0.00 0.00 176.83 174.89 2old n ASP 28 N -3.03 0.00 -0.29 3.07 5.68 -0.26 -1.94 116.55 119.78 2old n ASP 28 Ca 0.02 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.42 2old n ASP 28 Cb 0.58 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.82 2old n ASP 28 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2old h VAL 29 N 0.00 0.39 -0.21 2.12 2.07 -1.72 -0.12 116.25 118.78 2old h VAL 29 Ca 0.00 -0.09 -0.20 0.00 0.82 0.00 0.00 66.70 67.23 2old h VAL 29 Cb 0.00 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2old h VAL 29 CO 0.00 0.05 -0.67 1.23 0.02 0.00 0.00 177.57 178.20 2old h GLY 30 N 0.25 0.88 1.65 2.17 0.00 -0.90 -3.28 103.07 103.85 2old h GLY 30 Ca 0.52 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2old h GLY 30 CO -0.60 1.01 0.00 0.61 0.00 0.00 0.00 176.54 177.56 2old n GLY 31 N 0.53 -0.98 3.54 4.60 0.00 -0.12 -4.89 105.19 107.86 2old n GLY 31 Ca -0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 2old n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2old s TYR 32 N -2.65 0.53 -0.58 1.61 2.02 -0.81 -4.95 117.35 112.53 2old s TYR 32 Ca 0.17 -0.87 0.04 0.00 -0.37 0.00 0.00 57.07 56.04 2old s TYR 32 Cb 0.13 0.09 0.38 0.00 -0.40 0.00 0.00 41.96 42.17 2old s TYR 32 CO 0.31 -0.99 1.26 -0.25 -1.57 0.00 0.00 175.55 174.31 2old n ASP 33 N -0.54 5.26 -3.08 2.29 8.00 -1.26 -4.79 116.55 122.44 2old n ASP 33 Ca -0.01 -3.73 -0.22 0.00 0.71 0.00 0.00 54.79 51.54 2old n ASP 33 Cb 0.62 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 2old n ASP 33 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2old n LEU 34 N -0.40 2.50 -4.79 0.64 4.77 -1.26 -4.10 117.00 114.35 2old n LEU 34 Ca 0.40 -5.32 -0.36 0.00 -0.03 0.00 0.00 56.01 50.70 2old n LEU 34 Cb 0.50 0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 2old n LEU 34 CO 0.37 2.32 -0.23 -0.69 -1.33 0.00 0.00 177.39 177.84 2old s VAL 35 N -3.36 5.02 0.13 4.08 1.01 -1.26 -1.42 120.40 124.60 2old s VAL 35 Ca 0.44 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.50 2old s VAL 35 Cb 0.32 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2old s VAL 35 CO -0.11 0.61 -0.12 -0.44 0.00 0.00 0.00 175.10 175.04 2old s SER 36 N -0.91 1.90 -0.02 3.32 0.01 -0.06 -0.70 113.70 117.24 2old s SER 36 Ca 0.14 -0.89 0.03 0.00 1.31 0.00 0.00 55.95 56.53 2old s SER 36 Cb -0.12 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.07 2old s SER 36 CO 0.03 -0.22 -0.09 0.26 0.41 0.00 0.00 173.24 173.62 2old s TRP 37 N -2.64 0.92 0.02 2.43 0.52 0.92 -1.20 118.94 119.91 2old s TRP 37 Ca 0.12 -0.20 0.06 0.00 0.02 0.00 0.00 56.10 56.10 2old s TRP 37 Cb -0.02 -0.63 -0.02 0.00 -1.15 0.00 0.00 33.47 31.65 2old s TRP 37 CO 0.02 -0.06 -0.19 0.71 0.02 0.00 0.00 176.95 177.45 2old s TYR 38 N 0.00 1.71 -0.17 -1.98 2.02 0.07 -0.79 117.35 118.21 2old s TYR 38 Ca 0.00 -0.35 -0.07 0.00 -0.37 0.00 0.00 57.07 56.28 2old s TYR 38 Cb -0.06 -1.05 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 2old s TYR 38 CO 0.00 0.04 0.08 -1.14 -1.57 0.00 0.00 175.55 172.96 2old s GLN 39 N -0.87 3.84 -0.05 -0.62 0.74 0.19 -1.44 119.66 121.45 2old s GLN 39 Ca 0.07 -0.29 -0.02 0.00 0.05 0.00 0.00 55.36 55.17 2old s GLN 39 Cb -0.08 -3.21 0.03 0.00 1.10 0.00 0.00 33.01 30.85 2old s GLN 39 CO 0.01 0.40 0.08 -1.58 -0.55 0.00 0.00 175.29 173.66 2old s HIS 40 N 0.01 0.00 -0.21 1.67 2.46 0.14 0.40 115.29 119.77 2old s HIS 40 Ca 0.07 0.34 -0.14 0.00 0.47 0.00 0.00 55.06 55.80 2old s HIS 40 Cb -0.12 -0.43 -0.04 0.00 -0.13 0.00 0.00 32.58 31.86 2old s HIS 40 CO 0.00 -0.21 0.33 -1.01 -2.47 0.00 0.00 174.74 171.38 2old s HIS 41 N 2.20 3.37 0.17 3.88 3.76 -1.26 -0.93 115.29 126.47 2old s HIS 41 Ca 0.05 0.51 -0.33 0.00 -0.15 0.00 0.00 55.06 55.14 2old s HIS 41 Cb -0.12 -2.44 -0.16 0.00 1.11 0.00 0.00 32.58 30.97 2old s HIS 41 CO -0.04 0.04 1.18 -2.30 -0.85 0.00 0.00 174.74 172.77 2old n PRO 42 N 4.33 1.18 0.00 8.40 -0.02 -1.26 -0.15 135.00 147.48 2old n PRO 42 Ca -0.10 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2old n PRO 42 Cb 0.51 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2old n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2old n GLY 43 N 2.05 3.08 4.03 -1.23 0.00 -1.26 -5.03 105.19 106.83 2old n GLY 43 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 2old n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2old s GLY 44 N -2.52 1.78 0.31 -0.02 0.00 0.79 -5.09 107.32 102.56 2old s GLY 44 Ca 0.00 -2.01 -0.22 0.00 0.00 0.00 0.00 44.72 42.48 2old s GLY 44 CO 0.00 -1.61 0.86 0.00 0.00 0.00 0.00 173.10 172.35 2old s ALA 45 N -2.62 3.26 0.42 3.20 0.00 -1.26 -4.71 121.76 120.05 2old s ALA 45 Ca 0.61 0.35 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 2old s ALA 45 Cb -0.07 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 2old s ALA 45 CO 0.38 0.23 1.27 -2.14 0.00 0.00 0.00 175.76 175.50 2old s PRO 46 N -2.26 3.91 -0.11 0.00 0.02 -1.26 -4.64 135.00 130.67 2old s PRO 46 Ca 0.50 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.62 2old s PRO 46 Cb -0.16 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.68 2old s PRO 46 CO 0.21 -0.51 -0.23 0.21 -0.33 0.00 0.00 177.00 176.35 2old s LYS 47 N -2.33 2.96 -0.11 5.54 2.20 0.16 -4.94 119.74 123.23 2old s LYS 47 Ca 0.58 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 2old s LYS 47 Cb -0.36 -2.28 -0.02 0.00 -1.51 0.00 0.00 37.83 33.66 2old s LYS 47 CO 0.46 0.13 1.23 -1.17 -0.36 0.00 0.00 175.35 175.63 2old s LEU 48 N 0.46 4.23 -0.01 5.43 2.96 -1.26 0.53 118.68 131.02 2old s LEU 48 Ca -0.16 1.75 0.02 0.00 -0.22 0.00 0.00 54.13 55.52 2old s LEU 48 Cb -0.17 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2old s LEU 48 CO 0.06 -0.67 0.04 2.30 -1.32 0.00 0.00 176.35 176.77 2old n ILE 49 N 4.99 0.02 -3.80 6.68 -5.35 0.03 -4.82 119.36 117.10 2old n ILE 49 Ca 0.12 -0.06 -0.13 0.00 -0.27 0.00 0.00 62.75 62.42 2old n ILE 49 Cb 0.46 0.22 -0.13 0.00 -1.74 0.00 0.00 39.64 38.45 2old n ILE 49 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2old s ILE 50 N -2.15 -0.01 0.05 7.28 -1.09 -0.97 -4.11 121.20 120.21 2old s ILE 50 Ca -0.01 0.02 -0.11 0.00 -2.23 0.00 0.00 60.65 58.32 2old s ILE 50 Cb 0.01 -0.25 0.01 0.00 -1.58 0.00 0.00 42.46 40.65 2old s ILE 50 CO 0.10 0.01 0.25 -0.72 -1.23 0.00 0.00 174.94 173.34 2old s TYR 51 N 0.24 -0.01 -1.16 3.97 -0.85 0.44 -0.05 117.35 119.92 2old s TYR 51 Ca -0.01 -0.20 -0.02 0.00 -0.52 0.00 0.00 57.07 56.32 2old s TYR 51 Cb -0.03 0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.32 2old s TYR 51 CO -0.01 -0.48 0.96 0.39 -1.52 0.00 0.00 175.55 174.90 2old n GLU 52 N 0.54 -5.27 0.00 -3.49 1.02 -0.17 -0.69 120.64 112.58 2old n GLU 52 Ca -0.18 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2old n GLU 52 Cb 0.60 -5.82 0.00 0.00 -0.02 0.00 0.00 31.44 26.20 2old n GLU 52 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2old n VAL 53 N -3.88 0.00 0.27 2.62 0.31 0.13 -2.68 118.33 115.10 2old n VAL 53 Ca -0.23 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.14 2old n VAL 53 Cb 0.66 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.54 2old n VAL 53 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2old n THR 54 N 0.00 0.00 -2.27 2.52 -2.24 -1.25 -3.52 114.28 107.52 2old n THR 54 Ca 0.00 -0.30 -0.37 0.00 -2.27 0.00 0.00 64.05 61.11 2old n THR 54 Cb 0.00 0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 69.10 2old n THR 54 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2old s ASN 55 N -1.87 6.10 -0.14 3.42 3.84 0.13 -4.54 114.94 121.89 2old s ASN 55 Ca 0.02 2.26 -0.00 0.00 0.21 0.00 0.00 52.86 55.35 2old s ASN 55 Cb 0.05 -2.60 0.03 0.00 -0.55 0.00 0.00 41.25 38.19 2old s ASN 55 CO 0.29 -0.96 -0.07 -0.60 -2.79 0.00 0.00 177.10 172.96 2old s ARG 56 N -2.82 1.56 0.72 0.43 3.52 -1.26 -0.42 118.95 120.68 2old s ARG 56 Ca 0.65 -0.39 -0.15 0.00 -0.13 0.00 0.00 55.73 55.72 2old s ARG 56 Cb -0.27 -1.80 0.03 0.00 -1.56 0.00 0.00 34.95 31.35 2old s ARG 56 CO 0.33 -0.33 1.16 -1.25 -0.81 0.00 0.00 175.30 174.40 2old s PRO 57 N 1.66 2.32 0.76 5.12 0.04 -1.26 -4.94 135.00 138.70 2old s PRO 57 Ca 0.03 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 2old s PRO 57 Cb -0.14 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2old s PRO 57 CO -0.08 -1.66 0.94 -1.13 0.04 0.00 0.00 177.00 175.10 2old n SER 58 N -2.73 0.25 0.00 6.66 3.41 -1.26 -2.55 113.62 117.41 2old n SER 58 Ca 0.12 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 2old n SER 58 Cb 0.51 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 2old n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2old n GLY 59 N 1.05 2.99 3.65 5.00 0.00 -1.26 -4.99 105.19 111.63 2old n GLY 59 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2old n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2old s VAL 60 N -1.54 4.90 0.63 1.61 1.01 -1.06 -5.03 120.40 120.91 2old s VAL 60 Ca 0.00 1.45 -0.17 0.00 0.00 0.00 0.00 61.98 63.26 2old s VAL 60 Cb 0.00 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 2old s VAL 60 CO 0.00 -0.01 0.61 -0.24 0.00 0.00 0.00 175.10 175.46 2old n SER 61 N 5.67 -0.76 0.00 3.32 2.88 -1.26 -4.87 113.62 118.60 2old n SER 61 Ca 0.03 0.70 0.07 0.00 -1.33 0.00 0.00 58.87 58.34 2old n SER 61 Cb 0.48 -1.23 0.35 0.00 -0.75 0.00 0.00 64.21 63.06 2old n SER 61 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2old n ASP 62 N -0.04 0.00 0.22 -3.46 5.75 -1.26 -2.63 116.55 115.13 2old n ASP 62 Ca 0.12 0.32 0.15 0.00 -0.01 0.00 0.00 54.79 55.37 2old n ASP 62 Cb 0.48 -0.41 0.65 0.00 -1.03 0.00 0.00 41.12 40.82 2old n ASP 62 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2old h ARG 63 N 0.00 0.00 -5.77 0.11 3.08 -1.89 -3.42 114.38 106.49 2old h ARG 63 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2old h ARG 63 Cb 0.21 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.17 2old h ARG 63 CO 0.00 0.00 -0.53 -0.06 -1.07 0.00 0.00 179.97 178.31 2old s PHE 64 N -3.57 3.45 -0.05 3.04 0.08 -1.08 -1.39 117.98 118.47 2old s PHE 64 Ca 0.02 0.41 -0.30 0.00 0.12 0.00 0.00 56.93 57.17 2old s PHE 64 Cb 0.09 -1.88 0.08 0.00 -0.57 0.00 0.00 43.02 40.74 2old s PHE 64 CO 0.45 0.65 0.71 -1.54 -0.10 0.00 0.00 175.22 175.38 2old s SER 65 N -1.08 -0.62 0.29 1.36 1.04 -0.87 -4.99 113.70 108.84 2old s SER 65 Ca 0.16 0.63 0.04 0.00 0.48 0.00 0.00 55.95 57.26 2old s SER 65 Cb -0.12 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.46 2old s SER 65 CO 0.05 -0.60 0.02 -0.83 0.98 0.00 0.00 173.24 172.86 2old s GLY 66 N -1.29 1.91 -0.02 7.32 0.00 -1.26 -0.76 107.32 113.22 2old s GLY 66 Ca -0.09 -1.96 -0.30 0.00 0.00 0.00 0.00 44.72 42.36 2old s GLY 66 CO 0.07 -1.79 1.08 -1.35 0.00 0.00 0.00 173.10 171.12 2old s SER 67 N -3.44 -0.19 0.16 1.64 1.04 -0.41 -4.34 113.70 108.15 2old s SER 67 Ca 0.33 -0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.58 2old s SER 67 Cb 0.07 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 2old s SER 67 CO 0.13 -0.51 0.22 -1.59 0.98 0.00 0.00 173.24 172.48 2old s LYS 68 N -2.81 1.10 -0.27 4.02 -2.85 -1.26 0.12 119.74 117.79 2old s LYS 68 Ca 0.10 -1.26 -0.01 0.00 -1.00 0.00 0.00 55.97 53.79 2old s LYS 68 Cb 0.00 0.34 0.16 0.00 -2.06 0.00 0.00 37.83 36.27 2old s LYS 68 CO -0.04 -0.38 0.45 0.45 0.10 0.00 0.00 175.35 175.93 2old s SER 69 N -3.00 -0.30 1.61 0.03 0.15 0.29 -4.98 113.70 107.50 2old s SER 69 Ca 0.20 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2old s SER 69 Cb 0.04 1.46 0.00 0.00 -1.71 0.00 0.00 66.02 65.82 2old s SER 69 CO 0.01 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2old n GLY 70 N 5.39 3.43 1.20 9.45 0.00 -1.26 -2.11 105.19 121.28 2old n GLY 70 Ca -0.02 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.04 2old n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2old n ASN 71 N 9.14 3.63 -4.27 1.61 5.03 -1.26 -3.60 115.26 125.54 2old n ASN 71 Ca 0.00 -1.98 -0.33 0.00 0.87 0.00 0.00 54.58 53.14 2old n ASN 71 Cb 0.00 -0.36 -0.16 0.00 -1.02 0.00 0.00 39.78 38.25 2old n ASN 71 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2old s THR 72 N -1.20 2.55 0.27 3.41 2.01 -0.90 0.11 115.64 121.89 2old s THR 72 Ca 0.42 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.67 2old s THR 72 Cb 0.23 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2old s THR 72 CO 0.31 0.53 0.18 0.00 -0.69 0.00 0.00 174.62 174.95 2old s ALA 73 N 0.59 3.57 -0.07 7.40 0.00 0.79 -0.55 121.76 133.49 2old s ALA 73 Ca -0.10 -1.48 -0.09 0.00 0.00 0.00 0.00 51.96 50.29 2old s ALA 73 Cb -0.16 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.76 2old s ALA 73 CO 0.03 0.22 0.24 -1.12 0.00 0.00 0.00 175.76 175.13 2old s SER 74 N -3.84 -0.21 -0.05 0.00 0.01 0.32 -0.67 113.70 109.26 2old s SER 74 Ca 0.34 0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.96 2old s SER 74 Cb -0.07 0.44 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 2old s SER 74 CO 0.25 -0.18 -0.10 -0.22 0.41 0.00 0.00 173.24 173.40 2old s LEU 75 N -0.29 3.01 -0.07 2.44 2.96 0.64 -1.29 118.68 126.08 2old s LEU 75 Ca -0.04 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2old s LEU 75 Cb -0.03 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 45.02 2old s LEU 75 CO 0.01 0.34 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.40 2old s THR 76 N -0.82 0.97 -0.17 3.68 2.01 0.06 -0.37 115.64 121.00 2old s THR 76 Ca 0.13 -0.35 -0.00 0.00 0.31 0.00 0.00 61.69 61.77 2old s THR 76 Cb -0.11 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.48 2old s THR 76 CO 0.02 0.33 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.50 2old s ILE 77 N 0.94 2.62 0.25 1.82 1.01 0.04 -2.04 121.20 125.83 2old s ILE 77 Ca -0.10 -0.77 0.10 0.00 0.00 0.00 0.00 60.65 59.88 2old s ILE 77 Cb -0.15 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2old s ILE 77 CO 0.01 0.51 -0.06 -0.94 0.00 0.00 0.00 174.94 174.45 2old s SER 78 N 1.02 4.31 -1.13 3.58 1.04 -0.48 -0.58 113.70 121.45 2old s SER 78 Ca -0.01 -0.70 -0.11 0.00 0.48 0.00 0.00 55.95 55.61 2old s SER 78 Cb -0.15 -0.72 -0.03 0.00 0.10 0.00 0.00 66.02 65.22 2old s SER 78 CO -0.03 0.03 0.84 0.61 0.98 0.00 0.00 173.24 175.67 2old n GLY 79 N -0.62 -0.95 3.69 7.32 0.00 -0.73 -4.78 105.19 109.12 2old n GLY 79 Ca -0.07 0.45 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 2old n GLY 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2old n LEU 80 N -3.80 5.20 -3.89 0.99 4.77 -0.48 -4.57 117.00 115.22 2old n LEU 80 Ca -0.12 0.79 -0.10 0.00 -0.03 0.00 0.00 56.01 56.56 2old n LEU 80 Cb 0.62 -1.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.12 2old n LEU 80 CO 0.64 -1.34 -0.15 0.00 -1.33 0.00 0.00 177.39 175.21 2old s GLN 81 N -3.27 0.67 0.28 3.23 -2.07 -1.26 -0.73 119.66 116.51 2old s GLN 81 Ca 0.80 -0.74 -0.07 0.00 -1.82 0.00 0.00 55.36 53.53 2old s GLN 81 Cb -0.38 0.27 0.49 0.00 -1.09 0.00 0.00 33.01 32.30 2old s GLN 81 CO 0.43 -0.19 1.54 0.00 -1.32 0.00 0.00 175.29 175.76 2old n ALA 82 N 0.59 0.27 0.21 2.60 0.00 -1.26 -0.88 120.51 122.03 2old n ALA 82 Ca -0.18 1.09 0.14 0.00 0.00 0.00 0.00 53.44 54.49 2old n ALA 82 Cb 0.59 -0.67 0.76 0.00 0.00 0.00 0.00 19.45 20.14 2old n ALA 82 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2old h GLU 83 N 0.00 0.00 0.00 0.00 3.07 -1.99 -1.69 114.58 113.97 2old h GLU 83 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 2old h GLU 83 Cb 0.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 2old h GLU 83 CO -1.01 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.35 2old n ASP 84 N -4.14 0.23 -4.63 1.42 8.00 -0.06 -4.65 116.55 112.71 2old n ASP 84 Ca 0.01 0.58 -0.43 0.00 0.71 0.00 0.00 54.79 55.66 2old n ASP 84 Cb 0.25 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 2old n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2old s GLU 85 N -3.16 3.76 -0.02 -1.24 2.12 -0.64 -4.87 118.70 114.66 2old s GLU 85 Ca 0.03 2.00 -0.22 0.00 0.36 0.00 0.00 54.97 57.14 2old s GLU 85 Cb 0.06 -4.13 0.07 0.00 0.26 0.00 0.00 34.13 30.39 2old s GLU 85 CO 0.20 -1.35 1.00 0.00 -0.54 0.00 0.00 175.26 174.56 2old n ALA 86 N 8.82 -2.81 -2.53 6.30 0.00 -1.20 -4.94 120.51 124.14 2old n ALA 86 Ca 0.21 -0.62 -0.38 0.00 0.00 0.00 0.00 53.44 52.66 2old n ALA 86 Cb 0.44 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 2old n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2old s ASP 87 N -3.20 6.82 -0.02 0.00 1.01 -0.11 -1.03 116.67 120.14 2old s ASP 87 Ca 0.23 0.98 0.07 0.00 0.71 0.00 0.00 52.55 54.55 2old s ASP 87 Cb -0.01 -2.29 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 2old s ASP 87 CO -0.01 0.18 -0.24 -0.31 0.21 0.00 0.00 175.17 175.01 2old s TYR 88 N -0.41 2.21 0.17 4.23 2.02 -0.17 -0.68 117.35 124.71 2old s TYR 88 Ca 0.26 -0.46 0.07 0.00 -0.37 0.00 0.00 57.07 56.57 2old s TYR 88 Cb -0.17 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 2old s TYR 88 CO 0.14 -0.07 -0.14 0.71 -1.57 0.00 0.00 175.55 174.62 2old s TYR 89 N -0.50 1.55 0.34 2.71 2.02 -0.52 -0.51 117.35 122.45 2old s TYR 89 Ca 0.07 -0.60 0.05 0.00 -0.37 0.00 0.00 57.07 56.23 2old s TYR 89 Cb -0.10 -0.76 -0.07 0.00 -0.40 0.00 0.00 41.96 40.63 2old s TYR 89 CO -0.00 0.24 0.02 0.00 -1.57 0.00 0.00 175.55 174.25 2old s SER 91 N -3.54 -0.43 0.01 0.00 1.04 -0.34 -1.55 113.70 108.89 2old s SER 91 Ca 0.35 -0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.54 2old s SER 91 Cb 0.08 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.76 2old s SER 91 CO 0.16 -0.93 0.22 -0.55 0.98 0.00 0.00 173.24 173.12 2old s SER 92 N -2.72 -0.05 0.90 7.02 0.15 -0.77 -0.89 113.70 117.34 2old s SER 92 Ca 0.05 -0.17 -0.11 0.00 0.70 0.00 0.00 55.95 56.41 2old s SER 92 Cb -0.02 0.28 0.13 0.00 -1.71 0.00 0.00 66.02 64.70 2old s SER 92 CO -0.07 -0.48 1.09 -0.47 1.20 0.00 0.00 173.24 174.51 2old s TYR 93 N -1.86 2.29 0.15 3.44 5.04 -0.51 -2.02 117.35 123.86 2old s TYR 93 Ca -0.10 1.28 -0.15 0.00 -2.44 0.00 0.00 57.07 55.66 2old s TYR 93 Cb -0.04 -3.16 0.02 0.00 0.35 0.00 0.00 41.96 39.13 2old s TYR 93 CO 0.00 -2.41 0.39 0.00 -1.34 0.00 0.00 175.55 172.19 2old s ALA 94 N -2.91 -0.72 0.06 3.97 0.00 0.70 -4.36 121.76 118.51 2old s ALA 94 Ca 0.63 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.30 2old s ALA 94 Cb -0.18 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 2old s ALA 94 CO 0.57 -0.67 0.24 -1.12 0.00 0.00 0.00 175.76 174.77 2old s SER 95 N -2.85 6.39 0.00 0.00 0.01 -0.82 -4.62 113.70 111.80 2old s SER 95 Ca 0.07 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2old s SER 95 Cb 0.02 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2old s SER 95 CO -0.08 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2old n GLY 96 N 0.36 -1.22 0.06 3.44 0.00 -1.26 -4.80 105.19 101.76 2old n GLY 96 Ca -0.05 -2.20 -0.02 0.00 0.00 0.00 0.00 46.02 43.75 2old n GLY 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2old n SER 97 N 0.00 -0.15 -4.68 1.61 3.41 -1.26 -4.38 113.62 108.17 2old n SER 97 Ca 0.00 1.09 -0.39 0.00 -0.26 0.00 0.00 58.87 59.31 2old n SER 97 Cb 0.00 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.44 2old n SER 97 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2old s THR 98 N -3.36 5.07 0.36 6.66 -1.32 -1.26 -4.98 115.64 116.81 2old s THR 98 Ca -0.02 1.12 0.07 0.00 -1.21 0.00 0.00 61.69 61.65 2old s THR 98 Cb 0.02 -3.91 0.30 0.00 -1.51 0.00 0.00 72.50 67.40 2old s THR 98 CO 0.09 0.18 1.94 -0.65 -2.21 0.00 0.00 174.62 173.97 2old h PRO 99 N 7.25 0.72 -3.39 7.08 0.11 -1.82 -3.42 132.00 138.53 2old h PRO 99 Ca -0.35 -0.04 -0.29 0.00 0.11 0.00 0.00 66.00 65.43 2old h PRO 99 Cb 1.16 -0.16 -0.34 0.00 0.11 0.00 0.00 31.00 31.77 2old h PRO 99 CO 0.76 0.48 -0.68 0.50 -0.21 0.00 0.00 178.00 178.85 2old s ARG 100 N -5.68 0.00 -0.05 1.05 3.52 -1.26 -0.21 118.95 116.32 2old s ARG 100 Ca -0.10 0.28 -0.02 0.00 -0.13 0.00 0.00 55.73 55.77 2old s ARG 100 Cb 0.20 -0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.30 2old s ARG 100 CO 0.78 -0.19 0.06 0.42 -0.81 0.00 0.00 175.30 175.55 2old s ILE 101 N 1.25 4.67 0.24 4.11 1.01 -0.86 -4.94 121.20 126.69 2old s ILE 101 Ca -0.07 -0.25 0.09 0.00 0.00 0.00 0.00 60.65 60.41 2old s ILE 101 Cb -0.12 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 2old s ILE 101 CO -0.04 0.49 0.01 -0.36 0.00 0.00 0.00 174.94 175.04 2old s PHE 102 N -1.04 2.75 0.53 3.97 0.08 -1.26 -1.85 117.98 121.15 2old s PHE 102 Ca 0.18 -0.20 -0.01 0.00 0.12 0.00 0.00 56.93 57.01 2old s PHE 102 Cb -0.12 -1.25 0.01 0.00 -0.57 0.00 0.00 43.02 41.10 2old s PHE 102 CO 0.08 0.59 0.77 0.20 -0.10 0.00 0.00 175.22 176.76 2old s GLY 103 N -3.51 1.65 0.00 4.36 0.00 -0.60 -1.63 107.32 107.59 2old s GLY 103 Ca 0.30 -1.03 0.20 0.00 0.00 0.00 0.00 44.72 44.19 2old s GLY 103 CO 0.20 -0.79 1.64 0.61 0.00 0.00 0.00 173.10 174.76 2old n GLY 104 N -2.32 -0.96 0.00 0.20 0.00 -1.17 -4.73 105.19 96.21 2old n GLY 104 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2old n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2old n GLY 105 N 0.45 -0.90 2.73 -0.02 0.00 -1.26 -5.02 105.19 101.17 2old n GLY 105 Ca 0.10 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 2old n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2old s THR 106 N -3.05 0.16 -0.26 2.61 2.01 0.34 -4.48 115.64 112.97 2old s THR 106 Ca 0.00 0.25 -0.25 0.00 0.31 0.00 0.00 61.69 62.00 2old s THR 106 Cb 0.00 -0.36 -0.00 0.00 0.01 0.00 0.00 72.50 72.15 2old s THR 106 CO 0.00 0.22 0.86 -0.60 -0.69 0.00 0.00 174.62 174.41 2old s ARG 107 N 2.03 4.15 -0.19 4.92 3.52 -0.68 -1.00 118.95 131.69 2old s ARG 107 Ca 0.05 0.94 -0.13 0.00 -0.13 0.00 0.00 55.73 56.46 2old s ARG 107 Cb -0.12 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.56 2old s ARG 107 CO -0.04 -0.58 0.24 -1.17 -0.81 0.00 0.00 175.30 172.95 2old s LEU 108 N 2.94 4.19 -0.23 -0.88 2.96 -0.20 -2.09 118.68 125.37 2old s LEU 108 Ca 0.36 0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.61 2old s LEU 108 Cb -0.15 -2.27 0.02 0.00 0.50 0.00 0.00 46.19 44.29 2old s LEU 108 CO 0.08 0.08 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.23 2old s THR 109 N 0.72 2.88 -0.49 3.68 2.01 0.08 -3.23 115.64 121.29 2old s THR 109 Ca 0.13 -0.91 -0.22 0.00 0.31 0.00 0.00 61.69 61.00 2old s THR 109 Cb -0.13 -2.41 0.04 0.00 0.01 0.00 0.00 72.50 70.01 2old s THR 109 CO 0.03 0.28 0.76 -0.69 -0.69 0.00 0.00 174.62 174.32 2old s VAL 110 N 1.35 4.67 -0.15 3.82 1.01 -1.25 -0.82 120.40 129.03 2old s VAL 110 Ca 0.02 0.10 -0.38 0.00 0.00 0.00 0.00 61.98 61.72 2old s VAL 110 Cb -0.16 -4.35 -0.15 0.00 0.00 0.00 0.00 36.38 31.72 2old s VAL 110 CO -0.05 -0.83 1.70 0.18 0.00 0.00 0.00 175.10 176.10 2old n LEU 111 N 6.70 2.57 -0.08 3.92 4.77 0.12 -4.87 117.00 130.13 2old n LEU 111 Ca -0.01 1.06 0.01 0.00 -0.03 0.00 0.00 56.01 57.04 2old n LEU 111 Cb 0.47 -1.22 0.02 0.00 -2.33 0.00 0.00 43.42 40.36 2old n LEU 111 CO 0.58 -0.43 0.45 0.61 -1.33 0.00 0.00 177.39 177.27 2old n GLY 112 N 3.93 1.67 3.72 -0.72 0.00 -1.26 -4.50 105.19 108.04 2old n GLY 112 Ca 0.24 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 2old n GLY 112 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2old s GLN 113 N -0.74 1.27 0.57 1.61 -2.07 -1.26 -5.15 119.66 113.89 2old s GLN 113 Ca 0.03 -0.67 -0.20 0.00 -1.82 0.00 0.00 55.36 52.70 2old s GLN 113 Cb 0.02 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.35 2old s GLN 113 CO 0.02 -0.58 1.21 -2.14 -1.32 0.00 0.00 175.29 172.48 2old s PRO 114 N -3.43 3.12 0.37 9.60 0.02 -1.26 -4.96 135.00 138.47 2old s PRO 114 Ca 0.10 1.84 -0.26 0.00 0.02 0.00 0.00 61.00 62.70 2old s PRO 114 Cb -0.02 -2.03 -0.09 0.00 0.02 0.00 0.00 34.50 32.38 2old s PRO 114 CO 0.01 -1.09 1.21 0.15 -0.33 0.00 0.00 177.00 176.95 2old s LYS 115 N -3.21 4.17 -0.20 5.54 1.02 -1.26 -4.90 119.74 120.90 2old s LYS 115 Ca 0.75 1.96 -0.00 0.00 0.02 0.00 0.00 55.97 58.69 2old s LYS 115 Cb -0.31 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.19 2old s LYS 115 CO 0.34 -0.26 -0.15 0.00 -0.92 0.00 0.00 175.35 174.36 2old s ALA 116 N -1.30 2.49 0.33 5.17 0.00 -0.86 -4.93 121.76 122.66 2old s ALA 116 Ca 0.54 -1.25 -0.28 0.00 0.00 0.00 0.00 51.96 50.97 2old s ALA 116 Cb -0.34 -1.37 -0.09 0.00 0.00 0.00 0.00 23.12 21.32 2old s ALA 116 CO 0.43 -0.44 1.17 0.00 0.00 0.00 0.00 175.76 176.92 2old s ALA 117 N 1.33 3.35 0.28 0.00 0.00 -1.26 -1.95 121.76 123.51 2old s ALA 117 Ca 0.04 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 2old s ALA 117 Cb -0.14 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 2old s ALA 117 CO -0.10 -0.38 1.30 -1.25 0.00 0.00 0.00 175.76 175.33 2old s PRO 118 N -1.81 4.39 -0.26 0.00 0.04 -1.26 -4.63 135.00 131.47 2old s PRO 118 Ca 0.50 2.13 -0.13 0.00 0.04 0.00 0.00 61.00 63.53 2old s PRO 118 Cb -0.33 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2old s PRO 118 CO 0.43 -0.18 0.30 0.45 0.04 0.00 0.00 177.00 178.03 2old s SER 119 N -0.21 6.20 -0.09 6.66 0.15 -0.33 -4.89 113.70 121.17 2old s SER 119 Ca 0.52 0.21 0.02 0.00 0.70 0.00 0.00 55.95 57.40 2old s SER 119 Cb -0.38 -2.17 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2old s SER 119 CO 0.46 -0.10 -0.15 -0.69 1.20 0.00 0.00 173.24 173.97 2old s VAL 120 N 1.73 2.94 -0.05 4.45 1.01 -1.26 -0.86 120.40 128.37 2old s VAL 120 Ca 0.12 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2old s VAL 120 Cb -0.15 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2old s VAL 120 CO 0.09 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 174.74 2old s THR 121 N -0.08 1.01 -0.11 3.92 2.01 -0.44 -4.97 115.64 116.98 2old s THR 121 Ca -0.03 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.55 2old s THR 121 Cb -0.14 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 2old s THR 121 CO 0.04 0.32 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.95 2old s LEU 122 N 0.52 2.79 -0.09 4.42 2.96 -1.26 -0.34 118.68 127.68 2old s LEU 122 Ca -0.10 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 2old s LEU 122 Cb -0.14 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2old s LEU 122 CO 0.02 0.22 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.84 2old s PHE 123 N 0.05 2.92 0.60 5.38 0.08 0.20 -5.00 117.98 122.21 2old s PHE 123 Ca -0.04 -0.11 -0.02 0.00 0.12 0.00 0.00 56.93 56.88 2old s PHE 123 Cb -0.14 -1.76 0.04 0.00 -0.57 0.00 0.00 43.02 40.59 2old s PHE 123 CO 0.04 0.21 0.86 -2.14 -0.10 0.00 0.00 175.22 174.09 2old s PRO 124 N -0.50 2.48 0.22 0.24 0.02 -1.26 -2.73 135.00 133.47 2old s PRO 124 Ca 0.07 -0.51 -0.31 0.00 0.02 0.00 0.00 61.00 60.27 2old s PRO 124 Cb -0.12 -2.36 -0.11 0.00 0.02 0.00 0.00 34.50 31.93 2old s PRO 124 CO 0.02 -0.87 1.60 -2.14 -0.33 0.00 0.00 177.00 175.28 2old s PRO 125 N -4.94 4.18 0.47 5.54 0.02 -1.25 -4.88 135.00 134.14 2old s PRO 125 Ca 0.57 2.47 -0.22 0.00 0.02 0.00 0.00 61.00 63.85 2old s PRO 125 Cb -0.10 -3.10 -0.08 0.00 0.02 0.00 0.00 34.50 31.24 2old s PRO 125 CO 0.41 -0.63 1.10 -1.54 -0.33 0.00 0.00 177.00 176.02 2old s SER 126 N 0.90 6.24 0.29 2.53 1.04 -1.26 -4.87 113.70 118.56 2old s SER 126 Ca 0.68 2.14 -0.02 0.00 0.48 0.00 0.00 55.95 59.23 2old s SER 126 Cb -0.46 -2.58 0.44 0.00 0.10 0.00 0.00 66.02 63.52 2old s SER 126 CO 0.37 -0.86 1.93 0.77 0.98 0.00 0.00 173.24 176.43 2old h SER 127 N 1.86 0.98 -0.29 7.02 4.64 -1.99 0.33 113.55 126.10 2old h SER 127 Ca -0.49 -0.01 0.04 0.00 -0.47 0.00 0.00 61.79 60.86 2old h SER 127 Cb 1.24 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 63.07 2old h SER 127 CO 0.60 0.67 0.06 -0.08 -0.87 0.00 0.00 176.83 177.21 2old h GLU 128 N 1.13 0.17 -0.57 4.77 4.81 -1.99 -1.03 114.58 121.87 2old h GLU 128 Ca 0.36 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.49 2old h GLU 128 Cb 0.03 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2old h GLU 128 CO -0.11 0.11 -0.03 1.49 -0.73 0.00 0.00 179.01 179.74 2old h GLU 129 N 0.17 1.00 -0.83 1.92 4.81 -1.69 -2.93 114.58 117.04 2old h GLU 129 Ca 0.13 -0.32 0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2old h GLU 129 Cb 0.14 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 2old h GLU 129 CO -0.17 1.00 0.50 -0.07 -0.73 0.00 0.00 179.01 179.54 2old h LEU 130 N 0.91 0.77 -0.18 1.64 3.38 -0.30 -2.38 115.31 119.15 2old h LEU 130 Ca 0.16 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.21 2old h LEU 130 Cb 0.57 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2old h LEU 130 CO 0.03 0.48 -0.21 1.56 0.09 0.00 0.00 178.44 180.39 2old h GLN 131 N 0.90 -0.24 -0.06 1.13 4.20 -1.02 0.27 115.11 120.29 2old h GLN 131 Ca 0.37 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.10 2old h GLN 131 Cb 0.21 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2old h GLN 131 CO -0.19 -0.16 0.00 0.00 -0.67 0.00 0.00 178.83 177.81 2old n ALA 132 N -2.72 1.57 -2.81 3.87 0.00 -0.93 -4.73 120.51 114.77 2old n ALA 132 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 2old n ALA 132 Cb 0.27 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.74 2old n ALA 132 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2old n ASN 133 N -0.23 -5.33 -4.31 0.00 5.15 0.08 -5.02 115.26 105.60 2old n ASN 133 Ca 0.00 -0.21 -0.23 0.00 -0.60 0.00 0.00 54.58 53.54 2old n ASN 133 Cb 0.01 -4.20 -0.12 0.00 -0.53 0.00 0.00 39.78 34.94 2old n ASN 133 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2old s LYS 134 N -5.41 1.20 -0.20 1.20 1.02 -1.00 -4.53 119.74 112.02 2old s LYS 134 Ca 0.22 -1.29 -0.04 0.00 0.02 0.00 0.00 55.97 54.88 2old s LYS 134 Cb -0.10 -1.37 0.09 0.00 -0.52 0.00 0.00 37.83 35.93 2old s LYS 134 CO 0.27 0.30 0.19 0.00 -0.92 0.00 0.00 175.35 175.19 2old s ALA 135 N -1.60 -0.11 -0.06 5.17 0.00 -0.78 -3.15 121.76 121.24 2old s ALA 135 Ca 0.11 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.17 2old s ALA 135 Cb -0.08 -1.29 0.01 0.00 0.00 0.00 0.00 23.12 21.76 2old s ALA 135 CO 0.05 -1.24 -0.15 0.99 0.00 0.00 0.00 175.76 175.42 2old s THR 136 N 2.28 1.29 -0.08 0.00 2.01 -1.26 0.12 115.64 120.00 2old s THR 136 Ca 0.06 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 2old s THR 136 Cb -0.16 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 2old s THR 136 CO -0.13 0.39 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.39 2old s LEU 137 N 0.42 3.36 -0.11 4.42 1.02 -0.73 -3.75 118.68 123.30 2old s LEU 137 Ca -0.11 0.04 0.03 0.00 0.02 0.00 0.00 54.13 54.11 2old s LEU 137 Cb -0.14 -1.75 -0.00 0.00 0.02 0.00 0.00 46.19 44.31 2old s LEU 137 CO 0.04 0.35 -0.22 -0.69 0.02 0.00 0.00 176.35 175.85 2old s VAL 138 N -0.72 2.22 -0.19 -1.59 1.01 -1.11 -0.84 120.40 119.18 2old s VAL 138 Ca 0.11 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2old s VAL 138 Cb -0.11 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 2old s VAL 138 CO 0.02 0.55 -0.11 0.00 0.00 0.00 0.00 175.10 175.56 2old s LEU 140 N 1.19 3.48 -0.14 0.00 1.43 0.53 -1.07 118.68 124.10 2old s LEU 140 Ca 0.02 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2old s LEU 140 Cb -0.14 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.27 2old s LEU 140 CO -0.04 0.26 -0.17 -0.63 0.23 0.00 0.00 176.35 175.99 2old s ILE 141 N -0.15 1.74 0.21 -0.59 1.09 -0.32 -1.33 121.20 121.85 2old s ILE 141 Ca 0.04 -0.76 0.02 0.00 -1.10 0.00 0.00 60.65 58.86 2old s ILE 141 Cb -0.13 -1.58 -0.05 0.00 -1.06 0.00 0.00 42.46 39.64 2old s ILE 141 CO 0.02 0.49 0.02 -0.94 -0.10 0.00 0.00 174.94 174.43 2old s SER 142 N 1.16 1.44 -0.86 3.58 1.04 -0.04 -0.91 113.70 119.11 2old s SER 142 Ca -0.01 -1.24 -0.04 0.00 0.48 0.00 0.00 55.95 55.14 2old s SER 142 Cb -0.14 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2old s SER 142 CO -0.06 -0.58 0.62 0.47 0.98 0.00 0.00 173.24 174.66 2old n ASP 143 N -0.36 -5.03 -4.07 7.02 8.00 -0.61 -1.19 116.55 120.32 2old n ASP 143 Ca -0.04 -0.93 -0.16 0.00 0.71 0.00 0.00 54.79 54.37 2old n ASP 143 Cb 0.64 -2.00 -0.13 0.00 -0.02 0.00 0.00 41.12 39.62 2old n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2old s PHE 144 N -3.05 0.82 -0.19 1.24 -0.12 -0.97 -4.13 117.98 111.58 2old s PHE 144 Ca 0.05 -0.36 -0.12 0.00 -0.05 0.00 0.00 56.93 56.46 2old s PHE 144 Cb -0.03 -0.49 0.06 0.00 -0.63 0.00 0.00 43.02 41.93 2old s PHE 144 CO 0.89 -0.02 0.46 -0.47 -0.05 0.00 0.00 175.22 176.03 2old s TYR 145 N -0.93 -0.66 0.96 3.49 5.04 -0.82 -1.25 117.35 123.18 2old s TYR 145 Ca -0.03 1.41 -0.12 0.00 -2.44 0.00 0.00 57.07 55.89 2old s TYR 145 Cb -0.08 0.31 0.10 0.00 0.35 0.00 0.00 41.96 42.65 2old s TYR 145 CO 0.01 -0.35 0.74 -2.30 -1.34 0.00 0.00 175.55 172.30 2old n PRO 146 N 3.99 -0.59 -1.26 4.97 -0.02 -1.26 -2.02 135.00 138.81 2old n PRO 146 Ca -0.21 -0.12 -0.36 0.00 -2.02 0.00 0.00 63.50 60.79 2old n PRO 146 Cb 0.56 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 2old n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2old n GLY 147 N 0.98 4.09 2.96 -1.23 0.00 -1.26 -4.84 105.19 105.89 2old n GLY 147 Ca 0.08 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 2old n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2old s ALA 148 N 2.07 -0.29 0.03 4.61 0.00 -1.26 -4.78 121.76 122.15 2old s ALA 148 Ca 0.69 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.98 2old s ALA 148 Cb 0.19 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.02 2old s ALA 148 CO -0.05 -0.11 0.45 0.14 0.00 0.00 0.00 175.76 176.18 2old s VAL 149 N 0.65 0.05 0.05 0.00 -7.23 -1.26 -4.55 120.40 108.10 2old s VAL 149 Ca -0.05 -0.37 0.09 0.00 -1.81 0.00 0.00 61.98 59.84 2old s VAL 149 Cb -0.07 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 2old s VAL 149 CO -0.03 -0.21 -0.24 0.42 -0.31 0.00 0.00 175.10 174.73 2old s THR 150 N -2.25 2.30 -0.03 5.32 -4.23 -0.95 -4.97 115.64 110.84 2old s THR 150 Ca -0.07 -1.36 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 2old s THR 150 Cb -0.01 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 2old s THR 150 CO -0.01 0.35 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.59 2old s VAL 151 N -0.84 1.17 0.10 2.29 1.01 -1.26 -1.52 120.40 121.34 2old s VAL 151 Ca 0.12 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.53 2old s VAL 151 Cb -0.10 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2old s VAL 151 CO 0.03 0.34 -0.08 0.00 0.00 0.00 0.00 175.10 175.39 2old s ALA 152 N -0.09 1.04 0.08 5.51 0.00 0.08 -4.98 121.76 123.41 2old s ALA 152 Ca 0.00 -1.32 0.08 0.00 0.00 0.00 0.00 51.96 50.73 2old s ALA 152 Cb -0.08 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 2old s ALA 152 CO 0.01 -0.18 -0.21 -1.58 0.00 0.00 0.00 175.76 173.80 2old s TRP 153 N -3.29 1.79 0.08 0.00 0.52 -1.26 -0.31 118.94 116.47 2old s TRP 153 Ca 0.10 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.87 2old s TRP 153 Cb 0.03 -1.02 -0.03 0.00 -1.15 0.00 0.00 33.47 31.30 2old s TRP 153 CO -0.03 0.16 -0.12 0.15 0.02 0.00 0.00 176.95 177.13 2old s LYS 154 N -1.59 0.80 -0.29 4.98 3.01 -0.42 -2.51 119.74 123.72 2old s LYS 154 Ca 0.07 -1.00 0.02 0.00 -1.01 0.00 0.00 55.97 54.05 2old s LYS 154 Cb -0.09 -0.66 0.08 0.00 -1.01 0.00 0.00 37.83 36.14 2old s LYS 154 CO 0.03 0.13 -0.02 0.00 0.51 0.00 0.00 175.35 176.01 2old s ALA 155 N -1.69 2.41 -1.37 5.17 0.00 0.19 -1.75 121.76 124.72 2old s ALA 155 Ca -0.00 -1.91 -0.15 0.00 0.00 0.00 0.00 51.96 49.89 2old s ALA 155 Cb -0.08 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.38 2old s ALA 155 CO 0.01 -1.42 0.38 -0.25 0.00 0.00 0.00 175.76 174.48 2old n ASP 156 N 4.48 -1.65 -0.43 0.00 8.00 -0.77 -1.26 116.55 124.93 2old n ASP 156 Ca -0.06 -1.24 -0.04 0.00 0.71 0.00 0.00 54.79 54.16 2old n ASP 156 Cb 0.43 -1.92 -0.00 0.00 -0.02 0.00 0.00 41.12 39.60 2old n ASP 156 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2old n SER 157 N -2.59 -1.96 -3.76 -2.24 7.64 -1.26 -5.06 113.62 104.38 2old n SER 157 Ca -0.22 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.53 2old n SER 157 Cb 0.64 -1.31 -0.13 0.00 -1.01 0.00 0.00 64.21 62.39 2old n SER 157 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2old s SER 158 N -2.83 -0.20 0.76 6.43 0.01 -0.38 -5.14 113.70 112.34 2old s SER 158 Ca 0.00 0.42 -0.16 0.00 1.31 0.00 0.00 55.95 57.52 2old s SER 158 Cb 0.00 0.35 -0.02 0.00 0.21 0.00 0.00 66.02 66.56 2old s SER 158 CO 0.00 -0.12 0.55 -0.81 0.41 0.00 0.00 173.24 173.27 2old n PRO 159 N 3.72 0.23 -3.76 12.44 -0.04 -1.26 0.56 135.00 146.90 2old n PRO 159 Ca -0.21 0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.25 2old n PRO 159 Cb 0.55 -1.87 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 2old n PRO 159 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2old s VAL 160 N -1.98 -0.01 0.00 0.52 1.01 -1.05 -4.70 120.40 114.19 2old s VAL 160 Ca 0.65 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2old s VAL 160 Cb -0.33 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2old s VAL 160 CO 0.59 0.01 0.00 0.29 0.00 0.00 0.00 175.10 175.99 2old n LYS 161 N 3.19 4.68 -2.56 2.72 5.02 -1.26 -4.39 118.16 125.55 2old n LYS 161 Ca -0.15 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.72 2old n LYS 161 Cb 0.57 -0.58 -0.03 0.00 -0.02 0.00 0.00 35.03 34.97 2old n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2old s ALA 162 N -0.39 3.28 -0.07 7.82 0.00 -1.26 -3.09 121.76 128.05 2old s ALA 162 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2old s ALA 162 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2old s ALA 162 CO 0.00 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2old n GLY 163 N 3.07 0.47 3.41 0.00 0.00 -1.26 -4.67 105.19 106.20 2old n GLY 163 Ca 0.08 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 2old n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2old s VAL 164 N -1.90 5.04 -0.14 1.61 1.01 -1.18 -1.09 120.40 123.75 2old s VAL 164 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2old s VAL 164 Cb 0.00 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 2old s VAL 164 CO 0.00 -0.73 -0.15 -1.61 0.00 0.00 0.00 175.10 172.61 2old s GLU 165 N 2.16 3.26 -0.03 2.72 0.41 -0.84 -5.01 118.70 121.38 2old s GLU 165 Ca 0.09 -0.74 0.05 0.00 -0.41 0.00 0.00 54.97 53.96 2old s GLU 165 Cb -0.22 -2.59 -0.01 0.00 -1.78 0.00 0.00 34.13 29.53 2old s GLU 165 CO 0.09 0.11 -0.17 0.99 -0.49 0.00 0.00 175.26 175.79 2old s THR 166 N 0.57 1.40 0.83 3.63 2.01 -1.26 -0.87 115.64 121.95 2old s THR 166 Ca -0.09 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.06 2old s THR 166 Cb -0.16 -1.18 0.12 0.00 0.01 0.00 0.00 72.50 71.29 2old s THR 166 CO 0.03 0.40 1.18 0.42 -0.69 0.00 0.00 174.62 175.96 2old s THR 167 N -0.20 2.07 0.10 -0.82 -4.23 0.75 -4.99 115.64 108.32 2old s THR 167 Ca 0.02 -0.10 -0.20 0.00 -1.18 0.00 0.00 61.69 60.23 2old s THR 167 Cb -0.09 -2.97 -0.07 0.00 1.34 0.00 0.00 72.50 70.71 2old s THR 167 CO 0.01 0.00 0.61 -0.89 -0.54 0.00 0.00 174.62 173.81 2old s THR 168 N -3.58 4.68 0.32 3.99 2.01 -1.26 -4.65 115.64 117.14 2old s THR 168 Ca 0.66 1.27 -0.29 0.00 0.31 0.00 0.00 61.69 63.64 2old s THR 168 Cb -0.08 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.41 2old s THR 168 CO 0.49 0.51 1.25 -2.16 -0.69 0.00 0.00 174.62 174.02 2old s PRO 169 N -1.22 4.41 0.02 4.92 0.04 -1.26 -4.76 135.00 137.15 2old s PRO 169 Ca 0.31 2.10 0.08 0.00 0.04 0.00 0.00 61.00 63.53 2old s PRO 169 Cb -0.20 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 2old s PRO 169 CO 0.20 -0.09 -0.23 -1.54 0.04 0.00 0.00 177.00 175.38 2old s SER 170 N -0.61 2.77 0.14 6.66 1.04 -0.50 -4.91 113.70 118.29 2old s SER 170 Ca 0.48 -0.50 -0.30 0.00 0.48 0.00 0.00 55.95 56.11 2old s SER 170 Cb -0.37 -0.27 -0.07 0.00 0.10 0.00 0.00 66.02 65.41 2old s SER 170 CO 0.49 0.24 1.21 -0.75 0.98 0.00 0.00 173.24 175.41 2old s LYS 171 N -0.94 4.46 0.72 4.02 2.20 -1.26 -1.67 119.74 127.26 2old s LYS 171 Ca 0.09 1.86 0.02 0.00 -0.36 0.00 0.00 55.97 57.58 2old s LYS 171 Cb -0.09 -3.27 0.14 0.00 -1.51 0.00 0.00 37.83 33.09 2old s LYS 171 CO 0.01 -0.16 0.98 -0.65 -0.36 0.00 0.00 175.35 175.17 2old s GLN 172 N 0.24 1.66 0.09 4.03 -1.52 0.46 -4.95 119.66 119.67 2old s GLN 172 Ca 0.55 -1.34 -0.26 0.00 -1.95 0.00 0.00 55.36 52.37 2old s GLN 172 Cb -0.32 -2.39 -0.14 0.00 -0.22 0.00 0.00 33.01 29.94 2old s GLN 172 CO 0.34 -1.44 1.70 0.66 -0.25 0.00 0.00 175.29 176.30 2old h SER 173 N -0.46 -0.26 0.00 5.90 4.64 -1.96 -2.14 113.55 119.27 2old h SER 173 Ca -0.33 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2old h SER 173 Cb 1.27 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2old h SER 173 CO 0.38 -0.17 0.00 -0.46 -0.87 0.00 0.00 176.83 175.71 2old n ASN 174 N -5.22 0.00 -0.07 4.97 6.94 -1.26 -4.75 115.26 115.88 2old n ASN 174 Ca -0.08 -0.52 -0.01 0.00 -0.02 0.00 0.00 54.58 53.95 2old n ASN 174 Cb 0.14 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.56 2old n ASN 174 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2old n ASN 175 N -0.53 -3.77 -4.85 0.53 3.02 -0.81 -5.03 115.26 103.84 2old n ASN 175 Ca 0.00 0.02 -0.23 0.00 -0.03 0.00 0.00 54.58 54.35 2old n ASN 175 Cb 0.00 -1.35 -0.04 0.00 -0.61 0.00 0.00 39.78 37.79 2old n ASN 175 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2old s LYS 176 N -0.84 2.41 0.25 3.52 1.02 -1.26 -4.78 119.74 120.07 2old s LYS 176 Ca 0.00 -1.69 0.08 0.00 0.02 0.00 0.00 55.97 54.38 2old s LYS 176 Cb 0.00 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 2old s LYS 176 CO 0.00 -0.25 0.11 0.71 -0.92 0.00 0.00 175.35 175.00 2old s TYR 177 N -2.55 2.93 0.20 3.18 2.02 -0.38 0.17 117.35 122.92 2old s TYR 177 Ca 0.44 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 57.00 2old s TYR 177 Cb -0.01 -1.31 -0.05 0.00 -0.40 0.00 0.00 41.96 40.19 2old s TYR 177 CO 0.26 0.56 0.05 0.00 -1.57 0.00 0.00 175.55 174.85 2old s ALA 178 N -2.20 1.40 -0.02 3.71 0.00 -0.67 -1.57 121.76 122.41 2old s ALA 178 Ca 0.32 -1.68 -0.30 0.00 0.00 0.00 0.00 51.96 50.29 2old s ALA 178 Cb -0.07 0.85 0.11 0.00 0.00 0.00 0.00 23.12 24.01 2old s ALA 178 CO 0.23 -0.42 1.21 0.00 0.00 0.00 0.00 175.76 176.78 2old s ALA 179 N -3.79 -2.10 0.06 0.00 0.00 -0.09 -1.41 121.76 114.43 2old s ALA 179 Ca 0.30 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.92 2old s ALA 179 Cb 0.07 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.53 2old s ALA 179 CO 0.08 -0.95 0.32 -1.54 0.00 0.00 0.00 175.76 173.67 2old s SER 180 N -2.80 -0.14 -0.08 0.00 1.04 -1.26 -1.17 113.70 109.29 2old s SER 180 Ca 0.13 -0.25 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 2old s SER 180 Cb 0.03 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.56 2old s SER 180 CO -0.03 -0.68 0.19 -0.55 0.98 0.00 0.00 173.24 173.15 2old s SER 181 N -2.30 -0.19 0.25 7.02 0.15 -0.23 -0.18 113.70 118.22 2old s SER 181 Ca -0.02 0.39 0.10 0.00 0.70 0.00 0.00 55.95 57.12 2old s SER 181 Cb 0.00 0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 64.60 2old s SER 181 CO -0.06 -0.11 -0.18 -0.72 1.20 0.00 0.00 173.24 173.37 2old s TYR 182 N 0.67 2.04 -0.13 3.44 -0.85 -0.05 0.35 117.35 122.81 2old s TYR 182 Ca -0.05 -0.44 -0.02 0.00 -0.52 0.00 0.00 57.07 56.05 2old s TYR 182 Cb -0.06 -0.90 0.04 0.00 0.38 0.00 0.00 41.96 41.41 2old s TYR 182 CO -0.04 0.56 -0.01 -1.17 -1.52 0.00 0.00 175.55 173.38 2old s LEU 183 N -3.43 1.01 0.11 -3.49 2.96 -0.02 -1.98 118.68 113.84 2old s LEU 183 Ca 0.27 -0.44 -0.28 0.00 -0.22 0.00 0.00 54.13 53.46 2old s LEU 183 Cb -0.03 -0.61 -0.06 0.00 0.50 0.00 0.00 46.19 45.98 2old s LEU 183 CO 0.11 -0.22 0.89 -0.44 -1.32 0.00 0.00 176.35 175.38 2old s SER 184 N 1.85 7.43 0.19 3.68 0.01 -0.25 -1.78 113.70 124.83 2old s SER 184 Ca 0.02 1.70 -0.07 0.00 1.31 0.00 0.00 55.95 58.92 2old s SER 184 Cb -0.14 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 2old s SER 184 CO -0.07 -0.00 0.27 -0.22 0.41 0.00 0.00 173.24 173.63 2old s LEU 185 N -0.20 0.93 -0.02 2.44 2.96 0.33 -4.61 118.68 120.50 2old s LEU 185 Ca 0.43 -1.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.22 2old s LEU 185 Cb -0.23 1.03 -0.04 0.00 0.50 0.00 0.00 46.19 47.45 2old s LEU 185 CO 0.28 -0.93 0.23 0.42 -1.32 0.00 0.00 176.35 175.04 2old s THR 186 N -4.04 5.36 0.36 3.68 -4.23 -1.26 -1.86 115.64 113.65 2old s THR 186 Ca 0.25 0.14 0.19 0.00 -1.18 0.00 0.00 61.69 61.09 2old s THR 186 Cb 0.04 -3.54 0.19 0.00 1.34 0.00 0.00 72.50 70.53 2old s THR 186 CO 0.06 0.41 1.53 -0.65 -0.54 0.00 0.00 174.62 175.43 2old h PRO 187 N 4.17 0.00 0.14 3.99 0.11 -1.82 -0.28 132.00 138.30 2old h PRO 187 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2old h PRO 187 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2old h PRO 187 CO 0.65 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 179.30 2old h GLU 188 N 0.00 -0.18 -0.93 1.05 3.07 -1.96 -2.60 114.58 113.03 2old h GLU 188 Ca 0.00 0.01 0.27 0.00 -0.50 0.00 0.00 59.36 59.14 2old h GLU 188 Cb 0.76 0.04 -0.14 0.00 -0.84 0.00 0.00 28.75 28.57 2old h GLU 188 CO 0.00 -0.12 0.37 1.96 -1.40 0.00 0.00 179.01 179.83 2old h GLN 189 N -0.76 0.26 0.00 2.33 4.20 -1.50 1.53 115.11 121.17 2old h GLN 189 Ca -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2old h GLN 189 Cb 0.14 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2old h GLN 189 CO 0.03 0.17 0.00 1.87 -0.67 0.00 0.00 178.83 180.23 2old n TRP 190 N -5.15 0.00 0.14 2.96 -0.00 -0.39 -2.67 117.44 112.33 2old n TRP 190 Ca 0.26 0.00 0.19 0.00 -0.00 0.00 0.00 57.50 57.94 2old n TRP 190 Cb 0.80 -0.20 0.78 0.00 -0.00 0.00 0.00 31.31 32.69 2old n TRP 190 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 2old h LYS 191 N 0.00 0.00 0.00 5.87 1.57 -0.92 -1.76 116.57 121.33 2old h LYS 191 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2old h LYS 191 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2old h LYS 191 CO 0.00 0.00 -0.13 1.03 -0.57 0.00 0.00 179.45 179.78 2old h SER 192 N 0.00 0.00 -2.06 0.86 0.87 0.24 -3.44 113.55 110.02 2old h SER 192 Ca 0.15 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.19 2old h SER 192 Cb 0.77 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.67 2old h SER 192 CO -0.00 0.13 -0.53 -1.00 -0.53 0.00 0.00 176.83 174.89 2old s HIS 193 N -4.47 2.90 0.16 2.24 3.76 -0.66 -5.03 115.29 114.18 2old s HIS 193 Ca -0.04 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 54.69 2old s HIS 193 Cb 0.15 -1.50 -0.06 0.00 1.11 0.00 0.00 32.58 32.28 2old s HIS 193 CO 0.63 0.43 1.35 0.00 -0.85 0.00 0.00 174.74 176.30 2old h ARG 194 N 1.52 0.10 -1.62 1.40 3.08 -1.85 -3.43 114.38 113.57 2old h ARG 194 Ca -0.46 -0.12 0.21 0.00 0.07 0.00 0.00 59.98 59.68 2old h ARG 194 Cb 1.25 0.04 -0.19 0.00 0.08 0.00 0.00 29.97 31.15 2old h ARG 194 CO 0.60 0.95 0.73 -1.54 -1.07 0.00 0.00 179.97 179.64 2old s SER 195 N -6.85 -0.20 0.10 7.04 1.04 -1.26 -4.27 113.70 109.30 2old s SER 195 Ca -0.01 0.03 0.09 0.00 0.48 0.00 0.00 55.95 56.54 2old s SER 195 Cb 0.10 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 2old s SER 195 CO 0.82 -0.31 -0.22 -0.31 0.98 0.00 0.00 173.24 174.20 2old s TYR 196 N -2.37 1.86 0.01 5.02 2.02 -0.37 -1.84 117.35 121.68 2old s TYR 196 Ca 0.08 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 2old s TYR 196 Cb -0.01 -1.02 -0.01 0.00 -0.40 0.00 0.00 41.96 40.52 2old s TYR 196 CO -0.05 0.22 -0.02 -1.54 -1.57 0.00 0.00 175.55 172.58 2old s SER 197 N -1.88 0.24 -0.22 2.29 1.04 -0.72 -0.66 113.70 113.80 2old s SER 197 Ca 0.07 -0.24 -0.10 0.00 0.48 0.00 0.00 55.95 56.16 2old s SER 197 Cb -0.10 0.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 2old s SER 197 CO 0.04 -0.12 0.14 0.00 0.98 0.00 0.00 173.24 174.29 2old s GLN 199 N 0.66 3.25 -0.11 0.00 -0.21 0.58 -1.84 119.66 121.99 2old s GLN 199 Ca 0.08 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 54.78 2old s GLN 199 Cb -0.12 -2.91 -0.01 0.00 1.00 0.00 0.00 33.01 30.97 2old s GLN 199 CO 0.01 -0.22 -0.17 0.08 -2.12 0.00 0.00 175.29 172.87 2old s VAL 200 N 1.43 2.68 -0.11 1.09 1.01 -0.59 -0.74 120.40 125.17 2old s VAL 200 Ca 0.05 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2old s VAL 200 Cb -0.14 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2old s VAL 200 CO -0.06 0.54 -0.19 -0.89 0.00 0.00 0.00 175.10 174.51 2old s THR 201 N 0.28 2.55 -0.07 3.92 2.01 -0.58 -0.99 115.64 122.76 2old s THR 201 Ca -0.12 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 2old s THR 201 Cb -0.16 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.35 2old s THR 201 CO 0.06 0.54 -0.01 -2.28 -0.69 0.00 0.00 174.62 172.25 2old s HIS 202 N 0.29 0.70 -1.33 4.92 2.46 0.85 -2.24 115.29 120.95 2old s HIS 202 Ca -0.14 -0.19 -0.11 0.00 0.47 0.00 0.00 55.06 55.10 2old s HIS 202 Cb -0.17 -0.77 0.08 0.00 -0.13 0.00 0.00 32.58 31.60 2old s HIS 202 CO 0.07 -0.30 0.53 0.39 -2.47 0.00 0.00 174.74 172.96 2old n GLU 203 N 4.85 -3.39 0.00 2.88 -0.58 -1.26 -0.28 120.64 122.86 2old n GLU 203 Ca -0.12 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 2old n GLU 203 Cb 0.50 -5.17 0.00 0.00 -0.57 0.00 0.00 31.44 26.20 2old n GLU 203 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2old n GLY 204 N -1.20 3.17 3.71 0.62 0.00 -1.26 -5.02 105.19 105.20 2old n GLY 204 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2old n GLY 204 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2old s SER 205 N -0.48 7.19 -0.11 1.61 0.15 0.61 -5.04 113.70 117.63 2old s SER 205 Ca 0.00 1.45 0.03 0.00 0.70 0.00 0.00 55.95 58.12 2old s SER 205 Cb 0.00 -2.51 -0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2old s SER 205 CO 0.00 -0.25 -0.20 -0.89 1.20 0.00 0.00 173.24 173.09 2old s THR 206 N 1.18 2.38 0.14 6.45 2.01 -1.26 -0.11 115.64 126.43 2old s THR 206 Ca 0.46 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.64 2old s THR 206 Cb -0.19 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2old s THR 206 CO 0.22 0.55 -0.21 0.68 -0.69 0.00 0.00 174.62 175.17 2old s VAL 207 N 0.34 1.86 0.17 3.82 -7.23 -0.16 -4.98 120.40 114.21 2old s VAL 207 Ca -0.16 -1.76 0.09 0.00 -1.81 0.00 0.00 61.98 58.34 2old s VAL 207 Cb -0.17 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2old s VAL 207 CO 0.08 -0.16 -0.18 -1.61 -0.31 0.00 0.00 175.10 172.92 2old s GLU 208 N -2.35 1.28 -0.04 4.82 2.02 -1.26 -1.54 118.70 121.63 2old s GLU 208 Ca 0.12 -1.42 -0.02 0.00 0.02 0.00 0.00 54.97 53.68 2old s GLU 208 Cb -0.08 -1.34 0.03 0.00 0.10 0.00 0.00 34.13 32.84 2old s GLU 208 CO 0.06 0.27 0.09 0.15 0.02 0.00 0.00 175.26 175.84 2old s LYS 209 N -2.83 0.03 0.19 1.61 -0.14 -0.76 -4.98 119.74 112.86 2old s LYS 209 Ca 0.16 0.26 0.11 0.00 -1.36 0.00 0.00 55.97 55.14 2old s LYS 209 Cb -0.06 -0.18 -0.04 0.00 -1.68 0.00 0.00 37.83 35.87 2old s LYS 209 CO 0.07 -0.15 -0.24 0.99 -0.76 0.00 0.00 175.35 175.26 2old s THR 210 N 0.98 2.32 0.02 2.17 2.01 -1.26 -0.12 115.64 121.75 2old s THR 210 Ca -0.08 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 59.91 2old s THR 210 Cb -0.11 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 2old s THR 210 CO -0.04 -0.12 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.05 2old s VAL 211 N -1.67 0.14 0.07 3.82 1.01 0.17 -4.99 120.40 118.95 2old s VAL 211 Ca 0.20 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.61 2old s VAL 211 Cb -0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 2old s VAL 211 CO 0.10 -0.32 -0.20 0.00 0.00 0.00 0.00 175.10 174.68 2old s ALA 212 N -0.98 1.68 0.44 5.51 0.00 -1.26 -1.24 121.76 125.91 2old s ALA 212 Ca -0.10 -1.12 0.17 0.00 0.00 0.00 0.00 51.96 50.91 2old s ALA 212 Cb -0.07 -0.26 1.09 0.00 0.00 0.00 0.00 23.12 23.88 2old s ALA 212 CO -0.01 0.34 1.93 -1.35 0.00 0.00 0.00 175.76 176.68 2old h PRO 213 N 4.45 0.36 -5.82 0.00 0.11 -1.84 -3.42 132.00 125.84 2old h PRO 213 Ca -0.44 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.02 2old h PRO 213 Cb 1.17 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2old h PRO 213 CO 0.41 0.24 1.48 0.25 -0.21 0.00 0.00 178.00 180.18 2old n THR 214 N -4.47 0.12 -0.05 -1.15 -2.24 -1.26 -4.79 114.28 100.45 2old n THR 214 Ca 0.14 -0.29 -0.07 0.00 -2.27 0.00 0.00 64.05 61.56 2old n THR 214 Cb 0.54 -1.61 -0.05 0.00 -2.10 0.00 0.00 70.33 67.11 2old n THR 214 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2old n GLU 215 N 8.31 0.48 -4.25 -0.78 2.13 -1.26 -5.05 120.64 120.22 2old n GLU 215 Ca 0.44 0.05 -0.17 0.00 0.66 0.00 0.00 57.16 58.15 2old n GLU 215 Cb 0.24 -1.20 -0.14 0.00 0.27 0.00 0.00 31.44 30.60 2old n GLU 215 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72