#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2chg s GLU 5 N 0.00 0.28 -0.19 -4.13 2.12 -1.26 -5.14 118.70 110.38 2chg s GLU 5 Ca 0.00 0.29 -0.02 0.00 0.36 0.00 0.00 54.97 55.60 2chg s GLU 5 Cb 0.00 0.14 -0.01 0.00 0.26 0.00 0.00 34.13 34.52 2chg s GLU 5 CO 0.00 -0.04 -0.09 0.96 -0.54 0.00 0.00 175.26 175.56 2chg s ILE 6 N 0.06 3.11 0.27 -3.70 -4.36 -1.26 -4.99 121.20 110.33 2chg s ILE 6 Ca -0.01 -0.60 0.23 0.00 -0.26 0.00 0.00 60.65 60.01 2chg s ILE 6 Cb -0.02 -2.38 0.22 0.00 1.25 0.00 0.00 42.46 41.53 2chg s ILE 6 CO 0.00 0.47 1.90 -0.50 0.24 0.00 0.00 174.94 177.05 2chg h TRP 7 N 7.72 0.00 -0.62 1.37 4.06 -1.97 0.05 115.95 126.57 2chg h TRP 7 Ca -0.38 0.00 0.12 0.00 2.06 0.00 0.00 58.89 60.68 2chg h TRP 7 Cb 1.17 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.29 2chg h TRP 7 CO 0.55 0.23 0.42 0.28 -3.56 0.00 0.00 178.44 176.36 2chg h VAL 8 N 0.00 0.85 0.02 1.49 2.07 -1.94 0.14 116.25 118.89 2chg h VAL 8 Ca -0.00 -0.12 -0.37 0.00 0.82 0.00 0.00 66.70 67.03 2chg h VAL 8 Cb 0.61 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 2chg h VAL 8 CO 0.03 0.06 -2.09 -0.62 0.02 0.00 0.00 177.57 174.97 2chg n GLU 9 N -4.46 0.62 -0.30 1.57 -0.58 -0.28 -3.43 120.64 113.78 2chg n GLU 9 Ca 0.11 0.33 0.21 0.00 -0.42 0.00 0.00 57.16 57.39 2chg n GLU 9 Cb 0.44 -1.60 0.51 0.00 -0.57 0.00 0.00 31.44 30.21 2chg n GLU 9 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2chg h LYS 10 N -0.63 0.39 -0.33 3.49 3.64 -0.99 -2.29 116.57 119.85 2chg h LYS 10 Ca -0.54 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 58.65 2chg h LYS 10 Cb 1.66 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 33.29 2chg h LYS 10 CO -0.22 0.26 -0.10 0.66 -2.27 0.00 0.00 179.45 177.78 2chg n TYR 11 N -4.57 1.03 -2.59 1.91 4.02 0.48 -5.00 117.16 112.45 2chg n TYR 11 Ca 0.23 -1.58 -0.41 0.00 -0.01 0.00 0.00 57.90 56.13 2chg n TYR 11 Cb 0.81 -0.48 -0.04 0.00 -0.02 0.00 0.00 39.34 39.61 2chg n TYR 11 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2chg s ARG 12 N -3.24 4.64 0.11 -0.72 3.52 -0.86 -4.98 118.95 117.42 2chg s ARG 12 Ca 0.44 1.63 -0.36 0.00 -0.13 0.00 0.00 55.73 57.32 2chg s ARG 12 Cb 0.40 -3.30 -0.16 0.00 -1.56 0.00 0.00 34.95 30.33 2chg s ARG 12 CO -0.00 0.15 1.33 -2.30 -0.81 0.00 0.00 175.30 173.66 2chg n PRO 13 N 2.40 1.24 -0.00 5.12 -0.02 -1.26 -4.88 135.00 137.61 2chg n PRO 13 Ca 0.02 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 62.04 2chg n PRO 13 Cb 0.47 -2.07 -0.11 0.00 -0.02 0.00 0.00 33.50 31.76 2chg n PRO 13 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2chg n ARG 14 N 2.44 0.42 -3.64 -0.52 3.00 -1.26 -4.46 116.66 112.64 2chg n ARG 14 Ca 0.18 -0.01 -0.11 0.00 -0.01 0.00 0.00 57.85 57.90 2chg n ARG 14 Cb 0.21 -1.44 -0.05 0.00 0.00 0.00 0.00 32.46 31.18 2chg n ARG 14 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2chg s THR 15 N -2.90 0.06 0.30 0.55 -1.32 -1.26 -4.63 115.64 106.45 2chg s THR 15 Ca 0.07 -0.52 0.01 0.00 -1.21 0.00 0.00 61.69 60.05 2chg s THR 15 Cb 0.15 -1.09 0.28 0.00 -1.51 0.00 0.00 72.50 70.34 2chg s THR 15 CO 0.82 -0.28 1.90 -0.07 -2.21 0.00 0.00 174.62 174.77 2chg h LEU 16 N 2.59 0.89 -2.65 9.08 -0.00 -1.94 -1.41 115.31 121.87 2chg h LEU 16 Ca -0.33 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2chg h LEU 16 Cb 1.24 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2chg h LEU 16 CO 0.45 0.55 0.06 0.44 -0.00 0.00 0.00 178.44 179.94 2chg h ASP 17 N 1.00 0.00 0.64 -0.43 3.32 -1.96 -1.60 116.42 117.39 2chg h ASP 17 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2chg h ASP 17 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2chg h ASP 17 CO -0.17 0.00 -0.42 -0.62 -1.72 0.00 0.00 179.24 176.31 2chg n GLU 18 N -2.95 0.04 -2.68 3.56 1.02 -0.53 -4.80 120.64 114.30 2chg n GLU 18 Ca -0.03 0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.73 2chg n GLU 18 Cb 0.12 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 2chg n GLU 18 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2chg s VAL 19 N -3.02 3.91 0.12 2.62 -7.23 -0.60 -4.71 120.40 111.49 2chg s VAL 19 Ca 0.11 1.92 0.09 0.00 -1.81 0.00 0.00 61.98 62.28 2chg s VAL 19 Cb 0.17 -4.21 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 2chg s VAL 19 CO 0.67 0.45 -0.16 0.54 -0.31 0.00 0.00 175.10 176.29 2chg s VAL 20 N -1.19 2.96 -0.38 1.32 0.11 -1.26 -4.67 120.40 117.29 2chg s VAL 20 Ca 0.42 -1.49 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 2chg s VAL 20 Cb -0.27 -2.38 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 2chg s VAL 20 CO 0.34 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.80 2chg n GLY 21 N 0.68 0.62 2.67 6.54 0.00 -1.26 -4.89 105.19 109.55 2chg n GLY 21 Ca -0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 2chg n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2chg n GLN 22 N -2.07 1.67 -0.30 1.61 1.13 -1.26 -4.67 117.38 113.49 2chg n GLN 22 Ca -0.04 -3.41 0.05 0.00 -1.94 0.00 0.00 57.00 51.67 2chg n GLN 22 Cb 0.22 -1.50 0.20 0.00 0.11 0.00 0.00 30.24 29.28 2chg n GLN 22 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2chg h ASP 23 N 2.43 0.61 0.04 1.08 3.45 -1.90 -0.91 116.42 121.22 2chg h ASP 23 Ca -0.12 0.07 0.02 0.00 0.43 0.00 0.00 57.03 57.43 2chg h ASP 23 Cb 1.34 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 40.05 2chg h ASP 23 CO 0.20 0.30 -0.16 -0.08 -1.57 0.00 0.00 179.24 177.93 2chg h GLU 24 N 0.71 -0.28 -0.82 3.56 4.22 -1.98 -0.58 114.58 119.41 2chg h GLU 24 Ca 0.44 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.90 2chg h GLU 24 Cb 0.53 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2chg h GLU 24 CO -0.31 -0.19 0.52 0.28 -2.18 0.00 0.00 179.01 177.13 2chg h VAL 25 N -0.29 1.22 -0.35 0.32 2.07 -1.66 -2.90 116.25 114.66 2chg h VAL 25 Ca 0.04 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 2chg h VAL 25 Cb 0.34 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2chg h VAL 25 CO -0.13 0.22 -0.08 0.40 0.02 0.00 0.00 177.57 178.00 2chg h ILE 26 N 1.11 1.28 0.17 4.57 1.08 -0.79 -1.02 117.51 123.91 2chg h ILE 26 Ca 0.30 -1.13 0.01 0.00 -0.39 0.00 0.00 64.86 63.65 2chg h ILE 26 Cb -0.09 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 2chg h ILE 26 CO -0.06 0.37 -0.27 1.56 -0.69 0.00 0.00 178.15 179.06 2chg h GLN 27 N 0.46 -0.49 -0.75 2.37 1.08 -1.00 0.11 115.11 116.90 2chg h GLN 27 Ca 0.09 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.46 2chg h GLN 27 Cb 0.58 0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 28.02 2chg h GLN 27 CO 0.03 -0.32 0.31 0.00 -0.95 0.00 0.00 178.83 177.90 2chg h ARG 28 N -0.51 0.46 -0.56 1.46 3.08 -1.45 -2.08 114.38 114.79 2chg h ARG 28 Ca 0.02 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 2chg h ARG 28 Cb 0.51 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2chg h ARG 28 CO -0.12 0.30 -0.02 -0.07 -1.07 0.00 0.00 179.97 178.99 2chg h LEU 29 N 0.47 0.95 -1.61 3.04 4.07 -0.54 -2.80 115.31 118.89 2chg h LEU 29 Ca 0.40 -0.27 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 2chg h LEU 29 Cb 0.58 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 2chg h LEU 29 CO -0.38 1.02 -0.01 0.11 -1.08 0.00 0.00 178.44 178.10 2chg h LYS 30 N 0.89 0.23 -0.24 1.13 1.57 -0.10 -2.26 116.57 117.79 2chg h LYS 30 Ca 0.16 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2chg h LYS 30 Cb 0.55 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2chg h LYS 30 CO 0.03 0.27 -0.20 0.78 -0.57 0.00 0.00 179.45 179.76 2chg h GLY 31 N 0.50 0.46 0.94 3.86 0.00 -1.21 -1.05 103.07 106.57 2chg h GLY 31 Ca 0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 2chg h GLY 31 CO 0.00 0.32 0.07 -0.97 0.00 0.00 0.00 176.54 175.96 2chg h TYR 32 N 0.39 0.71 -0.76 5.60 0.05 -1.37 -2.29 116.97 119.29 2chg h TYR 32 Ca 0.07 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 2chg h TYR 32 Cb 0.57 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 2chg h TYR 32 CO 0.02 0.69 0.35 -0.39 -1.05 0.00 0.00 178.16 177.78 2chg h VAL 33 N 0.52 1.25 -0.77 -2.88 -1.51 -1.19 0.11 116.25 111.77 2chg h VAL 33 Ca 0.12 -0.71 0.15 0.00 -1.23 0.00 0.00 66.70 65.03 2chg h VAL 33 Cb 0.36 0.31 -0.10 0.00 -2.13 0.00 0.00 31.29 29.73 2chg h VAL 33 CO 0.01 0.30 0.30 -0.33 -1.23 0.00 0.00 177.57 176.62 2chg h GLU 34 N 1.07 0.42 -0.08 5.19 5.08 -1.12 -0.20 114.58 124.95 2chg h GLU 34 Ca 0.26 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2chg h GLU 34 Cb 0.14 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2chg h GLU 34 CO -0.03 0.28 0.00 0.54 -1.00 0.00 0.00 179.01 178.80 2chg n ARG 35 N -5.01 1.51 -3.01 2.33 1.74 -0.85 -4.93 116.66 108.43 2chg n ARG 35 Ca 0.15 -0.76 -0.22 0.00 -0.77 0.00 0.00 57.85 56.25 2chg n ARG 35 Cb 0.44 -1.41 0.03 0.00 -1.02 0.00 0.00 32.46 30.50 2chg n ARG 35 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2chg n LYS 36 N -0.04 -4.39 -3.56 5.56 5.02 -0.03 -4.94 118.16 115.78 2chg n LYS 36 Ca 0.17 0.85 -0.14 0.00 -2.02 0.00 0.00 58.31 57.17 2chg n LYS 36 Cb 0.27 -5.67 -0.06 0.00 -0.02 0.00 0.00 35.03 29.55 2chg n LYS 36 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2chg s ASN 37 N -2.64 -0.53 0.09 4.39 2.47 -1.02 -5.01 114.94 112.69 2chg s ASN 37 Ca 0.29 0.63 0.05 0.00 0.42 0.00 0.00 52.86 54.25 2chg s ASN 37 Cb -0.13 0.51 -0.03 0.00 -1.45 0.00 0.00 41.25 40.14 2chg s ASN 37 CO 0.35 -0.45 -0.12 0.27 -3.72 0.00 0.00 177.10 173.43 2chg s ILE 38 N -0.99 1.05 0.96 -5.21 -4.36 -1.26 -4.57 121.20 106.82 2chg s ILE 38 Ca -0.06 -1.50 -0.15 0.00 -0.26 0.00 0.00 60.65 58.69 2chg s ILE 38 Cb -0.01 -1.24 0.22 0.00 1.25 0.00 0.00 42.46 42.68 2chg s ILE 38 CO 0.05 -0.40 1.31 -0.81 0.24 0.00 0.00 174.94 175.33 2chg n PRO 39 N 0.87 -1.15 -1.76 0.37 -0.04 -1.26 -5.01 135.00 127.01 2chg n PRO 39 Ca -0.18 -2.20 -0.39 0.00 -0.04 0.00 0.00 63.50 60.69 2chg n PRO 39 Cb 0.56 -1.29 0.04 0.00 -0.04 0.00 0.00 33.50 32.77 2chg n PRO 39 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2chg s HIS 40 N -3.85 2.27 -0.02 0.54 3.76 -1.26 -4.78 115.29 111.95 2chg s HIS 40 Ca 0.76 1.35 0.05 0.00 -0.15 0.00 0.00 55.06 57.06 2chg s HIS 40 Cb -0.02 -3.84 -0.01 0.00 1.11 0.00 0.00 32.58 29.82 2chg s HIS 40 CO 0.53 -2.98 -0.16 -0.51 -0.85 0.00 0.00 174.74 170.76 2chg s LEU 41 N -3.44 2.02 -0.20 0.89 1.02 0.40 -1.46 118.68 117.91 2chg s LEU 41 Ca 0.71 -0.29 0.01 0.00 0.02 0.00 0.00 54.13 54.58 2chg s LEU 41 Cb -0.41 -0.84 0.03 0.00 0.02 0.00 0.00 46.19 44.99 2chg s LEU 41 CO 0.50 0.19 -0.16 -0.22 0.02 0.00 0.00 176.35 176.68 2chg s LEU 42 N -0.33 2.50 -0.22 1.79 0.20 0.10 -0.74 118.68 121.97 2chg s LEU 42 Ca 0.05 -0.89 -0.08 0.00 0.69 0.00 0.00 54.13 53.90 2chg s LEU 42 Cb -0.07 -1.44 -0.04 0.00 -0.43 0.00 0.00 46.19 44.21 2chg s LEU 42 CO -0.00 -0.08 0.10 -0.36 -0.29 0.00 0.00 176.35 175.71 2chg s PHE 43 N 1.27 3.24 -0.07 5.38 2.99 0.21 -1.15 117.98 129.84 2chg s PHE 43 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 56.93 56.98 2chg s PHE 43 Cb -0.15 -2.18 0.02 0.00 0.00 0.00 0.00 43.02 40.71 2chg s PHE 43 CO -0.10 0.02 -0.10 0.45 -0.00 0.00 0.00 175.22 175.49 2chg s SER 44 N 0.86 1.74 0.00 1.36 0.15 0.29 -1.13 113.70 116.97 2chg s SER 44 Ca 0.05 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2chg s SER 44 Cb -0.13 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 2chg s SER 44 CO 0.03 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2chg n GLY 45 N 4.07 0.69 3.62 9.45 0.00 -0.69 0.12 105.19 122.46 2chg n GLY 45 Ca -0.21 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 2chg n GLY 45 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2chg n PRO 46 N -0.81 0.47 -1.76 1.61 -0.02 -1.26 -4.17 135.00 129.06 2chg n PRO 46 Ca 0.00 0.22 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 2chg n PRO 46 Cb 0.00 -2.24 0.03 0.00 -0.02 0.00 0.00 33.50 31.27 2chg n PRO 46 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2chg n PRO 47 N -1.98 2.10 -1.00 0.52 -0.04 -1.26 -2.92 135.00 130.41 2chg n PRO 47 Ca 0.13 0.75 -0.00 0.00 -0.04 0.00 0.00 63.50 64.34 2chg n PRO 47 Cb 0.50 -2.62 -0.00 0.00 -0.04 0.00 0.00 33.50 31.34 2chg n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2chg n GLY 48 N 0.63 0.43 0.01 0.55 0.00 -1.26 -4.90 105.19 100.65 2chg n GLY 48 Ca 0.07 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.18 2chg n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2chg n THR 49 N -2.84 0.00 0.00 2.61 -2.24 -1.15 -4.34 114.28 106.31 2chg n THR 49 Ca -0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2chg n THR 49 Cb 0.08 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 2chg n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2chg n GLY 50 N 1.46 1.86 0.08 3.38 0.00 -1.26 -4.87 105.19 105.84 2chg n GLY 50 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2chg n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2chg h LYS 51 N 0.00 0.11 -0.25 1.61 1.57 -1.91 -0.47 116.57 117.23 2chg h LYS 51 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2chg h LYS 51 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2chg h LYS 51 CO 0.00 0.46 0.12 1.15 -0.57 0.00 0.00 179.45 180.61 2chg h THR 52 N -0.25 1.14 -0.72 -0.16 2.02 -1.99 -1.95 112.91 110.99 2chg h THR 52 Ca 0.01 -0.39 0.08 0.00 0.77 0.00 0.00 66.41 66.88 2chg h THR 52 Cb 0.42 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 2chg h THR 52 CO 0.01 0.14 0.40 0.00 0.37 0.00 0.00 175.52 176.43 2chg h ALA 53 N 0.99 0.99 -0.00 6.16 0.00 -1.96 -1.73 119.26 123.70 2chg h ALA 53 Ca 0.09 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2chg h ALA 53 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2chg h ALA 53 CO -0.01 0.05 -0.55 0.00 0.00 0.00 0.00 179.25 178.74 2chg h THR 54 N 0.70 1.39 -0.72 0.00 1.03 -0.91 -0.58 112.91 113.83 2chg h THR 54 Ca 0.34 -1.88 -0.03 0.00 -0.01 0.00 0.00 66.41 64.83 2chg h THR 54 Cb 0.27 2.01 -0.03 0.00 -1.07 0.00 0.00 68.15 69.32 2chg h THR 54 CO -0.22 0.54 0.33 0.00 -0.01 0.00 0.00 175.52 176.16 2chg h ALA 55 N 1.44 0.93 -0.23 0.00 0.00 -0.72 0.06 119.26 120.74 2chg h ALA 55 Ca -0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2chg h ALA 55 Cb 0.97 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2chg h ALA 55 CO 0.07 0.52 -0.31 0.82 0.00 0.00 0.00 179.25 180.35 2chg h ILE 56 N 1.02 1.32 -0.75 0.00 2.04 -1.18 -1.72 117.51 118.24 2chg h ILE 56 Ca 0.24 -1.50 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 2chg h ILE 56 Cb 0.15 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 2chg h ILE 56 CO -0.03 0.47 0.38 0.00 0.00 0.00 0.00 178.15 178.97 2chg h ALA 57 N 0.65 1.26 -0.16 1.87 0.00 -0.96 -1.42 119.26 120.49 2chg h ALA 57 Ca 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2chg h ALA 57 Cb 0.88 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2chg h ALA 57 CO 0.07 0.58 0.09 1.25 0.00 0.00 0.00 179.25 181.24 2chg h LEU 58 N 1.06 0.21 -0.91 0.00 6.46 -0.91 -1.68 115.31 119.54 2chg h LEU 58 Ca 0.26 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.97 2chg h LEU 58 Cb 0.07 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 39.89 2chg h LEU 58 CO -0.04 0.24 0.58 0.00 -0.62 0.00 0.00 178.44 178.61 2chg h ALA 59 N 0.97 1.22 -0.40 1.25 0.00 -0.89 0.16 119.26 121.57 2chg h ALA 59 Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2chg h ALA 59 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2chg h ALA 59 CO -0.01 0.41 -0.12 0.00 0.00 0.00 0.00 179.25 179.53 2chg h ARG 60 N 1.11 0.79 -0.46 0.00 3.08 -1.18 0.69 114.38 118.40 2chg h ARG 60 Ca 0.37 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 2chg h ARG 60 Cb 0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2chg h ARG 60 CO -0.14 0.93 0.11 -0.44 -1.07 0.00 0.00 179.97 179.36 2chg h ASP 61 N 0.60 0.70 -0.27 7.04 3.32 -0.75 0.13 116.42 127.19 2chg h ASP 61 Ca 0.10 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 2chg h ASP 61 Cb 0.65 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2chg h ASP 61 CO 0.04 0.75 0.07 -0.07 -1.72 0.00 0.00 179.24 178.32 2chg h LEU 62 N 0.62 0.41 -0.39 1.55 3.38 -0.58 -3.37 115.31 116.93 2chg h LEU 62 Ca 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2chg h LEU 62 Cb 0.33 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2chg h LEU 62 CO 0.00 0.53 -0.54 0.49 0.09 0.00 0.00 178.44 179.02 2chg n PHE 63 N -4.70 0.00 -4.32 1.13 0.99 0.22 -5.04 117.46 105.74 2chg n PHE 63 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 2chg n PHE 63 Cb 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.66 2chg n PHE 63 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2chg n GLY 64 N 1.26 -0.48 0.28 1.37 0.00 0.03 -4.09 105.19 103.56 2chg n GLY 64 Ca 0.04 -1.09 0.19 0.00 0.00 0.00 0.00 46.02 45.16 2chg n GLY 64 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2chg h GLU 65 N 0.00 0.00 -0.83 1.61 4.11 -1.96 -2.68 114.58 114.83 2chg h GLU 65 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.18 2chg h GLU 65 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 2chg h GLU 65 CO 0.00 0.00 0.32 0.09 0.07 0.00 0.00 179.01 179.49 2chg n ASN 66 N -2.97 4.34 -0.13 3.06 5.03 -1.26 -4.69 115.26 118.64 2chg n ASN 66 Ca -0.01 -3.14 0.14 0.00 0.87 0.00 0.00 54.58 52.44 2chg n ASN 66 Cb 0.20 -0.74 0.50 0.00 -1.02 0.00 0.00 39.78 38.73 2chg n ASN 66 CO 0.00 0.00 0.00 4.11 -1.83 0.00 0.00 177.26 179.54 2chg h TRP 67 N 2.06 0.47 0.00 3.10 5.08 -1.66 -2.51 115.95 122.49 2chg h TRP 67 Ca 0.31 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.28 2chg h TRP 67 Cb 2.26 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 28.27 2chg h TRP 67 CO 1.20 0.20 -0.06 0.00 -1.28 0.00 0.00 178.44 178.49 2chg h ARG 68 N 0.42 0.00 0.00 0.12 3.08 -1.88 -1.56 114.38 114.56 2chg h ARG 68 Ca 0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 2chg h ARG 68 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2chg h ARG 68 CO -0.10 0.06 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.41 2chg h ASP 69 N 0.00 0.00 0.00 7.04 3.45 -1.84 -3.21 116.42 121.85 2chg h ASP 69 Ca -0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 2chg h ASP 69 Cb 0.13 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 2chg h ASP 69 CO 0.01 0.01 -0.25 0.59 -1.57 0.00 0.00 179.24 178.03 2chg n ASN 70 N -4.43 1.87 -3.83 6.45 3.02 -0.60 -4.71 115.26 113.03 2chg n ASN 70 Ca -0.03 -3.18 -0.13 0.00 -0.03 0.00 0.00 54.58 51.21 2chg n ASN 70 Cb 0.10 -0.43 -0.15 0.00 -0.61 0.00 0.00 39.78 38.69 2chg n ASN 70 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2chg s PHE 71 N -2.58 0.01 0.04 3.10 2.19 -1.13 -0.13 117.98 119.48 2chg s PHE 71 Ca 0.31 0.06 0.02 0.00 0.33 0.00 0.00 56.93 57.65 2chg s PHE 71 Cb 0.29 -0.09 -0.02 0.00 -1.31 0.00 0.00 43.02 41.89 2chg s PHE 71 CO -0.01 -0.04 -0.07 -1.50 1.83 0.00 0.00 175.22 175.43 2chg s ILE 72 N 0.41 0.50 -0.08 3.12 2.07 -0.37 -4.85 121.20 122.01 2chg s ILE 72 Ca -0.03 -1.00 0.02 0.00 -1.41 0.00 0.00 60.65 58.23 2chg s ILE 72 Cb -0.05 -0.57 -0.02 0.00 0.13 0.00 0.00 42.46 41.95 2chg s ILE 72 CO -0.01 -0.35 -0.14 -1.61 -1.91 0.00 0.00 174.94 170.92 2chg s GLU 73 N -1.46 2.79 0.08 3.50 2.02 -1.26 -0.94 118.70 123.44 2chg s GLU 73 Ca -0.09 -0.69 -0.07 0.00 0.02 0.00 0.00 54.97 54.14 2chg s GLU 73 Cb -0.09 -2.46 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 2chg s GLU 73 CO 0.00 0.49 0.14 0.00 0.02 0.00 0.00 175.26 175.91 2chg s MET 74 N -0.38 0.81 -0.24 1.61 0.23 -0.39 -4.98 119.30 115.96 2chg s MET 74 Ca 0.04 -1.03 -0.15 0.00 -1.03 0.00 0.00 55.69 53.52 2chg s MET 74 Cb -0.12 0.31 -0.04 0.00 -1.53 0.00 0.00 34.83 33.45 2chg s MET 74 CO 0.02 -0.24 0.35 1.21 -2.03 0.00 0.00 175.02 174.33 2chg s ASN 75 N -2.88 6.30 0.51 -1.18 3.84 -1.26 -0.65 114.94 119.62 2chg s ASN 75 Ca 0.06 0.34 0.30 0.00 0.21 0.00 0.00 52.86 53.77 2chg s ASN 75 Cb 0.06 -2.20 1.25 0.00 -0.55 0.00 0.00 41.25 39.81 2chg s ASN 75 CO -0.10 -0.11 1.95 0.00 -2.79 0.00 0.00 177.10 176.05 2chg h ALA 76 N 7.81 1.04 -0.86 1.71 0.00 -1.00 -3.11 119.26 124.84 2chg h ALA 76 Ca -0.34 -0.08 -0.45 0.00 0.00 0.00 0.00 54.91 54.04 2chg h ALA 76 Cb 1.16 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.67 2chg h ALA 76 CO 0.67 0.11 0.57 -1.13 0.00 0.00 0.00 179.25 179.47 2chg n SER 77 N -3.25 3.65 -4.55 0.00 3.41 -1.26 -4.80 113.62 106.82 2chg n SER 77 Ca 0.00 -3.39 -0.51 0.00 -0.26 0.00 0.00 58.87 54.71 2chg n SER 77 Cb 0.33 -0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 63.44 2chg n SER 77 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2chg n ASP 78 N -0.92 0.96 0.00 4.04 -0.08 -1.18 -4.83 116.55 114.54 2chg n ASP 78 Ca 0.52 1.14 0.04 0.00 -1.51 0.00 0.00 54.79 54.97 2chg n ASP 78 Cb 1.52 -1.14 0.18 0.00 2.34 0.00 0.00 41.12 44.02 2chg n ASP 78 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2chg n GLU 79 N 1.82 0.09 -0.17 -0.67 2.13 -1.26 -2.20 120.64 120.38 2chg n GLU 79 Ca 0.17 0.25 0.12 0.00 0.66 0.00 0.00 57.16 58.35 2chg n GLU 79 Cb 0.20 -1.50 0.20 0.00 0.27 0.00 0.00 31.44 30.61 2chg n GLU 79 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2chg n ARG 80 N -1.33 2.48 0.00 5.31 1.74 -1.26 -5.07 116.66 118.53 2chg n ARG 80 Ca 0.03 -2.25 0.00 0.00 -0.77 0.00 0.00 57.85 54.86 2chg n ARG 80 Cb 0.06 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 2chg n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2chg n GLY 81 N 1.48 0.99 0.28 -0.13 0.00 -0.94 -4.47 105.19 102.39 2chg n GLY 81 Ca 0.19 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.51 2chg n GLY 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2chg h ILE 82 N 0.00 0.90 0.00 -0.61 6.09 -1.87 -2.66 117.51 119.36 2chg h ILE 82 Ca 0.00 0.00 -0.10 0.00 -1.37 0.00 0.00 64.86 63.39 2chg h ILE 82 Cb 0.00 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 38.25 2chg h ILE 82 CO 0.00 0.00 -0.49 0.44 -3.07 0.00 0.00 178.15 175.03 2chg h ASP 83 N 0.00 0.00 0.18 2.19 5.19 -1.98 0.18 116.42 122.17 2chg h ASP 83 Ca 0.02 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2chg h ASP 83 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 2chg h ASP 83 CO -0.00 0.49 -0.08 0.58 -3.12 0.00 0.00 179.24 177.11 2chg h VAL 84 N 0.00 0.93 -0.66 -1.35 2.07 -1.69 -1.71 116.25 113.84 2chg h VAL 84 Ca -0.00 -0.59 0.10 0.00 0.82 0.00 0.00 66.70 67.02 2chg h VAL 84 Cb 0.94 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 2chg h VAL 84 CO 0.06 0.13 0.29 0.58 0.02 0.00 0.00 177.57 178.66 2chg h VAL 85 N -0.53 0.80 -0.36 2.57 2.07 -1.54 -1.55 116.25 117.72 2chg h VAL 85 Ca -0.02 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2chg h VAL 85 Cb 0.40 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2chg h VAL 85 CO 0.04 0.09 -0.04 -0.09 0.02 0.00 0.00 177.57 177.59 2chg h ARG 86 N 0.50 0.58 -0.01 1.57 2.43 -0.65 -1.17 114.38 117.63 2chg h ARG 86 Ca 0.33 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2chg h ARG 86 Cb 0.39 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2chg h ARG 86 CO -0.29 0.63 -0.00 1.25 -1.51 0.00 0.00 179.97 180.04 2chg h HIS 87 N 0.54 0.02 -0.86 2.20 2.76 -0.48 -1.78 115.15 117.55 2chg h HIS 87 Ca 0.11 -0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.47 2chg h HIS 87 Cb 0.41 -0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.25 2chg h HIS 87 CO 0.02 0.33 0.36 0.87 -1.30 0.00 0.00 177.93 178.21 2chg h LYS 88 N -0.30 0.41 -0.47 5.26 1.57 -1.10 -1.31 116.57 120.63 2chg h LYS 88 Ca 0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2chg h LYS 88 Cb 0.32 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2chg h LYS 88 CO 0.00 0.27 0.17 0.82 -0.57 0.00 0.00 179.45 180.14 2chg h ILE 89 N 0.42 1.22 -0.35 1.86 2.04 -0.98 -2.37 117.51 119.34 2chg h ILE 89 Ca 0.51 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.70 2chg h ILE 89 Cb 0.91 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2chg h ILE 89 CO -0.49 0.26 0.19 0.50 0.00 0.00 0.00 178.15 178.61 2chg h LYS 90 N 0.63 0.38 -0.48 2.37 3.64 -0.48 -1.46 116.57 121.17 2chg h LYS 90 Ca 0.16 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2chg h LYS 90 Cb 0.23 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2chg h LYS 90 CO -0.01 0.25 0.31 0.93 -2.27 0.00 0.00 179.45 178.66 2chg h GLU 91 N 0.39 0.62 -0.51 1.90 4.39 -1.12 -2.00 114.58 118.25 2chg h GLU 91 Ca 0.14 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 2chg h GLU 91 Cb 0.03 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2chg h GLU 91 CO -0.09 0.41 -0.05 0.35 -1.16 0.00 0.00 179.01 178.48 2chg h PHE 92 N 0.64 0.98 0.00 4.33 3.57 -1.27 -3.21 116.94 121.98 2chg h PHE 92 Ca 0.18 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 2chg h PHE 92 Cb -0.06 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 2chg h PHE 92 CO -0.05 0.91 -0.37 0.00 -2.23 0.00 0.00 178.31 176.57 2chg h ALA 93 N 1.12 0.87 0.00 2.41 0.00 -0.95 -3.33 119.26 119.37 2chg h ALA 93 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2chg h ALA 93 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2chg h ALA 93 CO 0.03 0.47 -0.17 2.89 0.00 0.00 0.00 179.25 182.47 2chg n ARG 94 N -3.36 0.17 -3.29 0.00 -4.01 -0.78 -4.69 116.66 100.70 2chg n ARG 94 Ca 0.01 0.11 -0.31 0.00 -1.04 0.00 0.00 57.85 56.61 2chg n ARG 94 Cb 0.58 -1.67 -0.05 0.00 -3.04 0.00 0.00 32.46 28.28 2chg n ARG 94 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 2chg s THR 95 N -3.07 4.89 0.72 8.89 -4.23 -1.25 -5.08 115.64 116.51 2chg s THR 95 Ca 0.11 0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 60.97 2chg s THR 95 Cb 0.15 -3.65 0.03 0.00 1.34 0.00 0.00 72.50 70.38 2chg s THR 95 CO 0.61 -0.18 1.16 0.00 -0.54 0.00 0.00 174.62 175.67 2chg s ALA 96 N -1.95 2.20 0.53 3.99 0.00 -1.26 -4.97 121.76 120.30 2chg s ALA 96 Ca 0.48 0.70 -0.21 0.00 0.00 0.00 0.00 51.96 52.93 2chg s ALA 96 Cb -0.11 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2chg s ALA 96 CO 0.23 -1.72 1.15 -2.30 0.00 0.00 0.00 175.76 173.12 2chg n PRO 97 N -2.78 1.38 -3.58 0.00 -0.02 -1.26 -4.98 135.00 123.76 2chg n PRO 97 Ca 0.12 0.51 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 2chg n PRO 97 Cb 0.51 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 2chg n PRO 97 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2chg s ILE 98 N -1.35 5.09 -1.44 4.25 1.01 -1.26 -4.39 121.20 123.11 2chg s ILE 98 Ca 0.70 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.72 2chg s ILE 98 Cb -0.45 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.38 2chg s ILE 98 CO 0.51 0.20 0.00 0.61 0.00 0.00 0.00 174.94 176.26 2chg n GLY 99 N 0.64 0.86 2.23 6.18 0.00 -1.26 -3.04 105.19 110.80 2chg n GLY 99 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2chg n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2chg n GLY 100 N -1.12 0.46 3.69 -0.02 0.00 -1.26 -5.02 105.19 101.91 2chg n GLY 100 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 2chg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2chg n ALA 101 N 1.00 0.99 0.18 4.61 0.00 -1.17 -4.93 120.51 121.20 2chg n ALA 101 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.55 2chg n ALA 101 Cb 0.07 -2.26 0.34 0.00 0.00 0.00 0.00 19.45 17.60 2chg n ALA 101 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2chg h PRO 102 N 0.99 0.00 -2.97 0.00 0.13 -1.95 -3.45 132.00 124.76 2chg h PRO 102 Ca -0.50 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.67 2chg h PRO 102 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 2chg h PRO 102 CO 0.54 0.41 0.26 -0.59 -0.23 0.00 0.00 178.00 178.39 2chg s PHE 103 N -3.95 -0.06 0.18 1.56 -0.12 -1.26 -4.91 117.98 109.43 2chg s PHE 103 Ca -0.02 -0.49 0.06 0.00 -0.05 0.00 0.00 56.93 56.44 2chg s PHE 103 Cb 0.13 0.76 -0.04 0.00 -0.63 0.00 0.00 43.02 43.24 2chg s PHE 103 CO 0.71 -1.36 0.07 0.15 -0.05 0.00 0.00 175.22 174.75 2chg s LYS 104 N -3.21 2.64 -0.13 1.99 1.02 -0.46 -4.92 119.74 116.67 2chg s LYS 104 Ca 0.13 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 55.10 2chg s LYS 104 Cb -0.05 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 2chg s LYS 104 CO 0.09 0.46 -0.14 0.42 -0.92 0.00 0.00 175.35 175.25 2chg s ILE 105 N -1.81 2.90 -0.28 2.17 1.01 0.82 -0.13 121.20 125.87 2chg s ILE 105 Ca 0.30 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 2chg s ILE 105 Cb -0.09 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 40.19 2chg s ILE 105 CO 0.21 0.53 0.03 -0.63 0.00 0.00 0.00 174.94 175.08 2chg s ILE 106 N 0.41 3.54 -0.23 2.92 1.01 0.11 -1.24 121.20 127.72 2chg s ILE 106 Ca -0.11 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.49 2chg s ILE 106 Cb -0.16 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 2chg s ILE 106 CO 0.05 0.10 0.54 0.12 0.00 0.00 0.00 174.94 175.76 2chg s PHE 107 N 1.42 3.32 -0.33 3.97 5.36 -0.11 -0.70 117.98 130.92 2chg s PHE 107 Ca 0.01 0.75 -0.04 0.00 -0.96 0.00 0.00 56.93 56.69 2chg s PHE 107 Cb -0.17 -2.72 0.05 0.00 -0.34 0.00 0.00 43.02 39.84 2chg s PHE 107 CO -0.00 -0.20 0.06 -0.51 -1.46 0.00 0.00 175.22 173.11 2chg s LEU 108 N 2.01 4.22 0.41 6.12 1.43 0.57 -1.26 118.68 132.17 2chg s LEU 108 Ca 0.24 -1.31 -0.18 0.00 -1.03 0.00 0.00 54.13 51.85 2chg s LEU 108 Cb -0.16 -1.78 -0.09 0.00 0.03 0.00 0.00 46.19 44.19 2chg s LEU 108 CO 0.09 -0.32 0.88 -0.62 0.23 0.00 0.00 176.35 176.61 2chg s ASP 109 N 1.39 6.80 -1.51 2.29 2.15 0.18 -0.37 116.67 127.60 2chg s ASP 109 Ca -0.02 1.50 -0.13 0.00 0.43 0.00 0.00 52.55 54.33 2chg s ASP 109 Cb -0.20 -2.47 0.07 0.00 -0.30 0.00 0.00 42.92 40.03 2chg s ASP 109 CO 0.00 -0.35 1.01 -0.62 -0.17 0.00 0.00 175.17 175.04 2chg n GLU 110 N -0.77 -5.88 0.29 4.34 1.02 -1.10 -0.44 120.64 118.10 2chg n GLU 110 Ca 0.05 0.63 0.15 0.00 -0.02 0.00 0.00 57.16 57.98 2chg n GLU 110 Cb 0.54 -5.54 0.86 0.00 -0.02 0.00 0.00 31.44 27.28 2chg n GLU 110 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2chg h ALA 111 N 0.97 1.34 0.00 0.62 0.00 -1.16 -2.56 119.26 118.48 2chg h ALA 111 Ca -0.58 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2chg h ALA 111 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2chg h ALA 111 CO 0.65 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 2chg n ASP 112 N -3.65 0.00 -0.12 0.00 3.85 -1.26 -2.62 116.55 112.75 2chg n ASP 112 Ca -0.02 -0.49 0.14 0.00 -0.71 0.00 0.00 54.79 53.70 2chg n ASP 112 Cb 0.16 -0.17 0.59 0.00 -1.35 0.00 0.00 41.12 40.35 2chg n ASP 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2chg n ALA 113 N -1.17 2.78 -1.95 2.12 0.00 -0.96 -4.84 120.51 116.49 2chg n ALA 113 Ca 0.18 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 2chg n ALA 113 Cb 0.19 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 2chg n ALA 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2chg s LEU 114 N -2.48 4.53 0.89 0.00 1.43 -1.08 -4.98 118.68 117.00 2chg s LEU 114 Ca 0.28 2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 55.35 2chg s LEU 114 Cb 0.20 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.91 2chg s LEU 114 CO 0.48 -0.12 0.96 0.35 0.23 0.00 0.00 176.35 178.25 2chg n THR 115 N 1.96 0.54 0.30 5.49 -2.24 -1.26 -4.77 114.28 114.30 2chg n THR 115 Ca 0.01 -0.11 0.16 0.00 -2.27 0.00 0.00 64.05 61.84 2chg n THR 115 Cb 0.46 -0.95 0.94 0.00 -2.10 0.00 0.00 70.33 68.69 2chg n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2chg h ALA 116 N -1.53 1.40 0.24 6.98 0.00 -1.96 -1.35 119.26 123.04 2chg h ALA 116 Ca -0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2chg h ALA 116 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2chg h ALA 116 CO 0.41 0.02 -0.12 -0.44 0.00 0.00 0.00 179.25 179.12 2chg h ASP 117 N 0.00 -0.27 -0.90 0.00 3.45 -2.00 -2.45 116.42 114.25 2chg h ASP 117 Ca -0.00 -0.25 0.14 0.00 0.43 0.00 0.00 57.03 57.35 2chg h ASP 117 Cb 0.05 0.07 -0.09 0.00 -0.56 0.00 0.00 39.33 38.80 2chg h ASP 117 CO 0.00 0.21 0.51 0.00 -1.57 0.00 0.00 179.24 178.39 2chg h ALA 118 N -0.38 1.38 -0.54 3.45 0.00 -1.86 -0.33 119.26 120.98 2chg h ALA 118 Ca -0.03 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2chg h ALA 118 Cb 0.51 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2chg h ALA 118 CO 0.05 0.01 0.22 1.96 0.00 0.00 0.00 179.25 181.49 2chg h GLN 119 N 0.75 0.78 -0.25 0.00 4.20 -1.25 0.47 115.11 119.81 2chg h GLN 119 Ca 0.48 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 59.00 2chg h GLN 119 Cb 0.63 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2chg h GLN 119 CO -0.33 0.65 -0.14 0.00 -0.67 0.00 0.00 178.83 178.34 2chg h ALA 120 N 1.46 0.35 0.24 3.87 0.00 -0.77 0.92 119.26 125.33 2chg h ALA 120 Ca 0.19 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2chg h ALA 120 Cb 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2chg h ALA 120 CO -0.02 0.23 -0.51 0.00 0.00 0.00 0.00 179.25 178.96 2chg h ALA 121 N 0.72 -1.00 -0.87 0.00 0.00 -0.42 -1.79 119.26 115.90 2chg h ALA 121 Ca 0.05 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.02 2chg h ALA 121 Cb 0.65 0.82 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 2chg h ALA 121 CO 0.04 -1.12 0.58 1.25 0.00 0.00 0.00 179.25 179.99 2chg h LEU 122 N -0.82 0.43 -1.40 0.00 5.85 -0.08 -0.40 115.31 118.89 2chg h LEU 122 Ca -0.02 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2chg h LEU 122 Cb 0.78 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2chg h LEU 122 CO -0.21 0.19 -0.26 -0.09 -0.34 0.00 0.00 178.44 177.72 2chg h ARG 123 N 0.44 0.00 0.56 1.25 2.43 0.01 -1.30 114.38 117.77 2chg h ARG 123 Ca 0.45 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 2chg h ARG 123 Cb 1.06 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.62 2chg h ARG 123 CO -0.17 0.26 -0.27 0.00 -1.51 0.00 0.00 179.97 178.29 2chg h ARG 124 N 0.00 -0.72 -0.85 0.20 3.08 -0.41 -2.36 114.38 113.32 2chg h ARG 124 Ca -0.00 0.05 0.22 0.00 0.07 0.00 0.00 59.98 60.31 2chg h ARG 124 Cb 0.61 0.16 -0.13 0.00 0.08 0.00 0.00 29.97 30.69 2chg h ARG 124 CO 0.03 -0.48 0.25 1.15 -1.07 0.00 0.00 179.97 179.86 2chg h THR 125 N -0.88 0.39 -0.88 2.04 2.02 -1.48 0.56 112.91 114.67 2chg h THR 125 Ca -0.08 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.10 2chg h THR 125 Cb 0.57 0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.02 2chg h THR 125 CO 0.13 0.05 0.54 0.24 0.37 0.00 0.00 175.52 176.84 2chg h MET 126 N 0.26 0.89 -0.10 6.66 2.86 -1.24 -2.81 114.93 121.45 2chg h MET 126 Ca 0.52 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.94 2chg h MET 126 Cb 1.01 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 32.48 2chg h MET 126 CO -0.60 0.59 -0.62 0.93 1.06 0.00 0.00 176.91 178.26 2chg h GLU 127 N 0.91 0.60 -0.68 1.72 4.39 0.54 -2.96 114.58 119.10 2chg h GLU 127 Ca 0.41 -0.51 0.20 0.00 0.34 0.00 0.00 59.36 59.80 2chg h GLU 127 Cb 0.32 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2chg h GLU 127 CO -0.22 1.13 0.66 1.98 -1.16 0.00 0.00 179.01 181.40 2chg h MET 128 N 0.23 0.00 0.00 2.33 4.05 -0.57 -2.70 114.93 118.27 2chg h MET 128 Ca -0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2chg h MET 128 Cb 1.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 2chg h MET 128 CO 0.13 0.00 -0.06 0.66 0.23 0.00 0.00 176.91 177.87 2chg n TYR 129 N -3.75 0.00 0.31 1.39 4.02 -1.08 -4.86 117.16 113.19 2chg n TYR 129 Ca 0.14 -0.80 0.19 0.00 -0.01 0.00 0.00 57.90 57.42 2chg n TYR 129 Cb 0.90 -0.12 1.05 0.00 -0.02 0.00 0.00 39.34 41.15 2chg n TYR 129 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2chg h SER 130 N 0.00 0.00 0.29 7.72 0.02 -1.31 -1.27 113.55 119.01 2chg h SER 130 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 2chg h SER 130 Cb 0.99 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 2chg h SER 130 CO 0.00 0.00 -1.70 0.11 -1.14 0.00 0.00 176.83 174.10 2chg h LYS 131 N 0.00 0.31 0.00 3.45 1.57 -1.89 -3.39 116.57 116.62 2chg h LYS 131 Ca 0.01 -0.53 -0.16 0.00 -1.87 0.00 0.00 60.65 58.09 2chg h LYS 131 Cb 0.10 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2chg h LYS 131 CO -0.00 1.20 -1.75 -1.13 -0.57 0.00 0.00 179.45 177.20 2chg n SER 132 N -3.50 0.46 -4.31 0.86 3.41 -1.09 -4.90 113.62 104.55 2chg n SER 132 Ca -0.22 0.20 -0.24 0.00 -0.26 0.00 0.00 58.87 58.35 2chg n SER 132 Cb 1.06 0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 65.69 2chg n SER 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2chg s ARG 134 N -2.17 2.60 -0.14 0.00 1.81 0.81 -4.47 118.95 117.38 2chg s ARG 134 Ca 0.10 -0.89 -0.06 0.00 -1.72 0.00 0.00 55.73 53.16 2chg s ARG 134 Cb -0.09 -2.20 -0.04 0.00 -0.45 0.00 0.00 34.95 32.18 2chg s ARG 134 CO 0.05 0.38 0.06 -0.06 -0.68 0.00 0.00 175.30 175.05 2chg s PHE 135 N -0.15 3.31 -0.24 -0.53 0.40 -1.26 -0.71 117.98 118.80 2chg s PHE 135 Ca -0.04 0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 2chg s PHE 135 Cb -0.14 -1.97 0.04 0.00 0.51 0.00 0.00 43.02 41.46 2chg s PHE 135 CO 0.04 0.38 -0.11 0.42 0.70 0.00 0.00 175.22 176.65 2chg s ILE 136 N -0.31 2.45 -0.12 0.64 1.01 0.12 -0.45 121.20 124.54 2chg s ILE 136 Ca 0.09 -1.24 -0.07 0.00 0.00 0.00 0.00 60.65 59.43 2chg s ILE 136 Cb -0.12 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2chg s ILE 136 CO 0.02 0.18 0.13 -0.76 0.00 0.00 0.00 174.94 174.51 2chg s LEU 137 N 1.24 4.34 -0.05 2.97 1.43 0.08 -0.32 118.68 128.36 2chg s LEU 137 Ca -0.02 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 2chg s LEU 137 Cb -0.17 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 2chg s LEU 137 CO -0.06 0.40 -0.05 -0.55 0.23 0.00 0.00 176.35 176.31 2chg s SER 138 N -0.94 4.75 0.12 2.29 0.15 0.50 -0.62 113.70 119.94 2chg s SER 138 Ca 0.14 -0.03 -0.16 0.00 0.70 0.00 0.00 55.95 56.61 2chg s SER 138 Cb -0.12 -1.20 0.03 0.00 -1.71 0.00 0.00 66.02 63.03 2chg s SER 138 CO 0.04 0.34 0.39 0.00 1.20 0.00 0.00 173.24 175.20 2chg h ASN 140 N 2.43 0.05 -3.35 0.00 -0.26 -1.86 -1.83 115.58 110.77 2chg h ASN 140 Ca -0.34 -0.11 -0.41 0.00 -0.56 0.00 0.00 56.30 54.88 2chg h ASN 140 Cb 1.25 -0.02 -0.36 0.00 -1.06 0.00 0.00 38.32 38.13 2chg h ASN 140 CO 0.47 1.10 -0.76 -0.31 -1.06 0.00 0.00 177.43 176.87 2chg s TYR 141 N -2.60 0.57 0.30 1.19 1.51 -1.26 -3.59 117.35 113.46 2chg s TYR 141 Ca -0.06 -0.11 0.05 0.00 -1.01 0.00 0.00 57.07 55.94 2chg s TYR 141 Cb 0.08 -0.67 0.75 0.00 -0.11 0.00 0.00 41.96 42.01 2chg s TYR 141 CO 0.82 -0.25 1.74 0.28 -1.11 0.00 0.00 175.55 177.04 2chg h VAL 142 N 6.28 0.62 0.00 0.71 2.07 -1.95 -0.75 116.25 123.22 2chg h VAL 142 Ca -0.27 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2chg h VAL 142 Cb 1.13 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2chg h VAL 142 CO 0.34 0.11 0.00 0.77 0.02 0.00 0.00 177.57 178.81 2chg h SER 143 N 0.62 0.00 0.14 0.57 4.64 -2.02 -1.01 113.55 116.49 2chg h SER 143 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2chg h SER 143 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2chg h SER 143 CO -0.43 0.00 -0.13 0.54 -0.87 0.00 0.00 176.83 175.93 2chg n ARG 144 N -3.00 1.16 -3.89 4.77 3.00 -0.29 -4.83 116.66 113.59 2chg n ARG 144 Ca -0.02 -0.65 -0.35 0.00 -0.01 0.00 0.00 57.85 56.82 2chg n ARG 144 Cb 0.12 -1.49 -0.08 0.00 0.00 0.00 0.00 32.46 31.01 2chg n ARG 144 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2chg s ILE 145 N -2.28 5.16 0.50 0.55 -1.09 -0.39 -4.79 121.20 118.87 2chg s ILE 145 Ca 0.31 0.09 -0.23 0.00 -2.23 0.00 0.00 60.65 58.59 2chg s ILE 145 Cb 0.20 -3.31 -0.06 0.00 -1.58 0.00 0.00 42.46 37.71 2chg s ILE 145 CO 0.44 0.50 1.37 0.27 -1.23 0.00 0.00 174.94 176.28 2chg s ILE 146 N -0.03 2.17 0.23 2.92 -4.36 -1.26 -4.72 121.20 116.14 2chg s ILE 146 Ca 0.08 0.14 -0.07 0.00 -0.26 0.00 0.00 60.65 60.54 2chg s ILE 146 Cb -0.12 -3.07 0.19 0.00 1.25 0.00 0.00 42.46 40.71 2chg s ILE 146 CO 0.00 0.01 1.71 -0.08 0.24 0.00 0.00 174.94 176.82 2chg h GLU 147 N 1.85 0.31 -0.37 0.37 4.22 -1.96 0.14 114.58 119.14 2chg h GLU 147 Ca -0.51 -0.02 0.11 0.00 0.08 0.00 0.00 59.36 59.02 2chg h GLU 147 Cb 1.28 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2chg h GLU 147 CO 0.59 0.21 0.32 -1.35 -2.18 0.00 0.00 179.01 176.60 2chg h PRO 148 N 0.32 0.00 0.07 0.92 0.11 -2.00 -1.42 132.00 130.01 2chg h PRO 148 Ca 0.36 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.27 2chg h PRO 148 Cb 0.55 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 2chg h PRO 148 CO -0.42 0.00 -1.00 0.82 -0.21 0.00 0.00 178.00 177.19 2chg h ILE 149 N 0.00 1.23 -0.97 4.15 2.04 -1.38 -3.28 117.51 119.30 2chg h ILE 149 Ca 0.18 -2.36 0.21 0.00 1.00 0.00 0.00 64.86 63.88 2chg h ILE 149 Cb 0.81 2.82 -0.11 0.00 -0.74 0.00 0.00 36.82 39.60 2chg h ILE 149 CO -0.00 0.61 0.56 1.56 0.00 0.00 0.00 178.15 180.87 2chg h GLN 150 N -0.60 0.62 0.00 2.37 4.20 -0.70 -1.45 115.11 119.55 2chg h GLN 150 Ca -0.23 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2chg h GLN 150 Cb 1.49 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2chg h GLN 150 CO 0.00 0.41 -0.31 -1.13 -0.67 0.00 0.00 178.83 177.14 2chg n SER 151 N -4.86 0.69 -0.08 1.46 3.41 -0.58 -3.12 113.62 110.53 2chg n SER 151 Ca 0.24 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 2chg n SER 151 Cb 0.63 -0.29 0.50 0.00 -0.26 0.00 0.00 64.21 64.79 2chg n SER 151 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2chg n ARG 152 N -2.10 0.42 -4.69 4.33 3.00 -0.56 -4.90 116.66 112.16 2chg n ARG 152 Ca 0.05 -0.17 -0.26 0.00 -0.01 0.00 0.00 57.85 57.45 2chg n ARG 152 Cb 0.42 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.24 2chg n ARG 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2chg s ALA 154 N -0.80 3.53 -0.12 0.00 0.00 -0.53 -4.85 121.76 118.99 2chg s ALA 154 Ca 0.08 1.06 -0.06 0.00 0.00 0.00 0.00 51.96 53.04 2chg s ALA 154 Cb -0.09 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2chg s ALA 154 CO 0.02 -0.55 0.12 0.08 0.00 0.00 0.00 175.76 175.42 2chg s VAL 155 N 0.85 5.33 -0.07 0.00 1.01 -1.26 -0.72 120.40 125.53 2chg s VAL 155 Ca 0.61 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.72 2chg s VAL 155 Cb -0.35 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 32.74 2chg s VAL 155 CO 0.32 0.60 0.01 -0.36 0.00 0.00 0.00 175.10 175.68 2chg s PHE 156 N -0.90 0.58 -0.36 5.22 0.40 -0.30 -4.97 117.98 117.65 2chg s PHE 156 Ca 0.14 -0.14 -0.13 0.00 -0.60 0.00 0.00 56.93 56.20 2chg s PHE 156 Cb -0.12 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.65 2chg s PHE 156 CO 0.03 -0.33 0.24 1.03 0.70 0.00 0.00 175.22 176.90 2chg s ARG 157 N 2.00 3.21 0.30 0.44 0.52 -1.26 -0.54 118.95 123.62 2chg s ARG 157 Ca 0.05 -0.84 -0.18 0.00 -0.52 0.00 0.00 55.73 54.24 2chg s ARG 157 Cb -0.13 -3.81 -0.09 0.00 0.52 0.00 0.00 34.95 31.44 2chg s ARG 157 CO -0.05 -0.57 0.78 -0.06 0.02 0.00 0.00 175.30 175.41 2chg s PHE 158 N 1.67 3.49 0.19 -0.53 0.40 0.33 -4.89 117.98 118.65 2chg s PHE 158 Ca 0.05 1.38 0.09 0.00 -0.60 0.00 0.00 56.93 57.85 2chg s PHE 158 Cb -0.18 -2.64 -0.04 0.00 0.51 0.00 0.00 43.02 40.67 2chg s PHE 158 CO 0.09 0.16 -0.11 0.15 0.70 0.00 0.00 175.22 176.21 2chg s LYS 159 N -2.56 1.98 0.21 0.44 -0.14 -1.26 -4.41 119.74 113.99 2chg s LYS 159 Ca 0.51 -1.34 -0.32 0.00 -1.36 0.00 0.00 55.97 53.46 2chg s LYS 159 Cb -0.13 -2.09 -0.15 0.00 -1.68 0.00 0.00 37.83 33.78 2chg s LYS 159 CO 0.19 0.42 1.23 -2.30 -0.76 0.00 0.00 175.35 174.13 2chg n PRO 160 N -0.04 1.49 -2.83 -1.68 -0.02 -1.26 -4.89 135.00 125.77 2chg n PRO 160 Ca -0.10 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.49 2chg n PRO 160 Cb 0.56 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 2chg n PRO 160 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2chg s VAL 161 N -0.24 4.91 0.58 -1.45 -7.23 -1.26 -5.03 120.40 110.68 2chg s VAL 161 Ca 0.70 1.82 -0.19 0.00 -1.81 0.00 0.00 61.98 62.50 2chg s VAL 161 Cb -0.76 -4.21 -0.04 0.00 0.56 0.00 0.00 36.38 31.92 2chg s VAL 161 CO 0.52 0.14 1.17 -2.84 -0.31 0.00 0.00 175.10 173.78 2chg s PRO 162 N 1.28 3.10 0.33 4.82 0.02 -1.26 -4.83 135.00 138.45 2chg s PRO 162 Ca 0.45 1.71 0.08 0.00 0.02 0.00 0.00 61.00 63.26 2chg s PRO 162 Cb -0.19 -1.96 0.78 0.00 0.02 0.00 0.00 34.50 33.15 2chg s PRO 162 CO 0.21 -1.08 1.81 -0.22 -0.33 0.00 0.00 177.00 177.40 2chg h LYS 163 N 0.94 0.71 -0.83 5.54 3.64 -1.99 -0.38 116.57 124.20 2chg h LYS 163 Ca -0.50 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.81 2chg h LYS 163 Cb 1.28 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 2chg h LYS 163 CO 0.56 0.47 0.41 0.93 -2.27 0.00 0.00 179.45 179.54 2chg h GLU 164 N 0.73 1.19 -0.20 1.90 3.07 -1.99 0.14 114.58 119.44 2chg h GLU 164 Ca 0.53 -0.17 -0.11 0.00 -0.50 0.00 0.00 59.36 59.10 2chg h GLU 164 Cb 0.86 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2chg h GLU 164 CO -0.30 0.91 -0.32 0.00 -1.40 0.00 0.00 179.01 177.90 2chg h ALA 165 N 1.22 0.30 -0.44 3.43 0.00 -1.45 -1.53 119.26 120.78 2chg h ALA 165 Ca 0.29 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2chg h ALA 165 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2chg h ALA 165 CO -0.04 0.34 0.22 1.98 0.00 0.00 0.00 179.25 181.76 2chg h MET 166 N 0.23 0.64 -0.43 0.00 1.85 -1.27 -2.65 114.93 113.30 2chg h MET 166 Ca 0.01 -0.09 0.06 0.00 -0.61 0.00 0.00 59.70 59.08 2chg h MET 166 Cb 0.91 -0.12 -0.05 0.00 0.43 0.00 0.00 31.60 32.77 2chg h MET 166 CO 0.07 0.53 0.12 -0.22 -0.40 0.00 0.00 176.91 177.02 2chg h LYS 167 N 0.58 0.26 -0.48 0.39 3.64 -0.56 -0.99 116.57 119.42 2chg h LYS 167 Ca 0.15 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 2chg h LYS 167 Cb 0.10 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2chg h LYS 167 CO -0.02 0.17 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.03 2chg h LYS 168 N 0.27 0.85 -0.27 1.90 3.64 -1.18 -1.77 116.57 120.00 2chg h LYS 168 Ca 0.20 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 2chg h LYS 168 Cb 0.22 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2chg h LYS 168 CO -0.24 0.90 -0.32 -0.09 -2.27 0.00 0.00 179.45 177.43 2chg h ARG 169 N 0.77 0.70 -0.87 1.90 9.65 -1.22 -2.24 114.38 123.06 2chg h ARG 169 Ca 0.13 -0.39 -0.02 0.00 -1.10 0.00 0.00 59.98 58.60 2chg h ARG 169 Cb 0.57 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.14 2chg h ARG 169 CO 0.04 1.00 0.45 -0.07 2.80 0.00 0.00 179.97 184.19 2chg h LEU 170 N 0.43 1.10 -0.54 3.80 3.38 -0.97 -2.21 115.31 120.31 2chg h LEU 170 Ca 0.04 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2chg h LEU 170 Cb 0.90 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2chg h LEU 170 CO 0.08 0.90 0.33 -0.07 0.09 0.00 0.00 178.44 179.77 2chg h LEU 171 N 1.22 0.54 -0.59 1.67 3.38 -1.24 -0.61 115.31 119.68 2chg h LEU 171 Ca 0.30 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.34 2chg h LEU 171 Cb 0.07 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 2chg h LEU 171 CO -0.04 0.38 0.29 -0.33 0.09 0.00 0.00 178.44 178.83 2chg h GLU 172 N 0.66 0.52 -0.58 1.13 5.08 -1.06 -0.38 114.58 119.96 2chg h GLU 172 Ca 0.21 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2chg h GLU 172 Cb -0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2chg h GLU 172 CO -0.08 0.35 0.16 0.82 -1.00 0.00 0.00 179.01 179.25 2chg h ILE 173 N 0.54 1.25 -0.49 3.13 2.04 -0.95 -1.75 117.51 121.28 2chg h ILE 173 Ca 0.27 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.28 2chg h ILE 173 Cb 0.22 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2chg h ILE 173 CO -0.21 0.32 0.31 0.00 0.00 0.00 0.00 178.15 178.57 2chg h GLU 175 N 0.63 -0.03 -0.58 0.00 4.39 -0.84 0.22 114.58 118.36 2chg h GLU 175 Ca 0.19 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 2chg h GLU 175 Cb -0.03 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2chg h GLU 175 CO -0.06 -0.02 0.32 0.87 -1.16 0.00 0.00 179.01 178.96 2chg h LYS 176 N -0.03 0.80 -0.13 2.33 6.56 -1.14 -2.95 116.57 122.01 2chg h LYS 176 Ca 0.07 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2chg h LYS 176 Cb 0.14 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 2chg h LYS 176 CO -0.16 0.59 0.00 0.39 -2.06 0.00 0.00 179.45 178.20 2chg n GLU 177 N -4.39 2.31 -2.60 3.15 -0.58 -0.38 -4.96 120.64 113.19 2chg n GLU 177 Ca 0.05 -1.93 -0.17 0.00 -0.42 0.00 0.00 57.16 54.70 2chg n GLU 177 Cb 0.09 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.50 2chg n GLU 177 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2chg n GLY 178 N 1.37 -0.27 3.73 0.62 0.00 0.51 -4.98 105.19 106.18 2chg n GLY 178 Ca 0.16 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2chg n GLY 178 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2chg s VAL 179 N -2.93 4.51 -0.27 1.61 1.01 0.24 -5.02 120.40 119.56 2chg s VAL 179 Ca 0.13 2.03 -0.10 0.00 0.00 0.00 0.00 61.98 64.03 2chg s VAL 179 Cb -0.06 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2chg s VAL 179 CO 0.16 0.33 0.15 -0.54 0.00 0.00 0.00 175.10 175.20 2chg s LYS 180 N -0.04 3.87 -0.02 2.72 1.02 -1.26 -4.62 119.74 121.40 2chg s LYS 180 Ca 0.46 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 56.12 2chg s LYS 180 Cb -0.23 -3.55 -0.00 0.00 -0.52 0.00 0.00 37.83 33.52 2chg s LYS 180 CO 0.29 -0.17 -0.12 -1.50 -0.92 0.00 0.00 175.35 172.93 2chg s ILE 181 N 1.68 1.01 0.88 2.17 2.07 -1.26 -0.26 121.20 127.49 2chg s ILE 181 Ca 0.07 -0.50 -0.13 0.00 -1.41 0.00 0.00 60.65 58.67 2chg s ILE 181 Cb -0.16 -0.87 0.13 0.00 0.13 0.00 0.00 42.46 41.69 2chg s ILE 181 CO 0.09 0.30 1.22 0.42 -1.91 0.00 0.00 174.94 175.05 2chg s THR 182 N -0.00 1.99 0.14 4.00 -4.23 0.29 -4.88 115.64 112.95 2chg s THR 182 Ca -0.01 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.34 2chg s THR 182 Cb -0.08 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2chg s THR 182 CO 0.01 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 175.72 2chg h GLU 183 N -1.32 0.58 -0.01 3.99 4.57 -2.00 -1.44 114.58 118.95 2chg h GLU 183 Ca -0.46 -0.09 -0.15 0.00 -1.18 0.00 0.00 59.36 57.48 2chg h GLU 183 Cb 1.30 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 2chg h GLU 183 CO 0.56 0.51 -0.71 0.22 -1.18 0.00 0.00 179.01 178.41 2chg h ASP 184 N 0.51 0.06 -0.55 1.04 -0.00 -1.94 -1.87 116.42 113.67 2chg h ASP 184 Ca 0.14 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.03 57.12 2chg h ASP 184 Cb 0.12 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.41 2chg h ASP 184 CO -0.02 0.75 0.31 1.23 -0.00 0.00 0.00 179.24 181.51 2chg h GLY 185 N 2.00 0.81 1.15 -0.78 0.00 -1.76 -0.69 103.07 103.80 2chg h GLY 185 Ca -0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 2chg h GLY 185 CO 0.10 0.35 0.04 -2.00 0.00 0.00 0.00 176.54 175.03 2chg h LEU 186 N 0.74 1.00 -0.82 3.11 6.46 -0.91 -0.90 115.31 123.98 2chg h LEU 186 Ca 0.19 -0.26 -0.05 0.00 -0.12 0.00 0.00 57.88 57.64 2chg h LEU 186 Cb 0.03 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.67 2chg h LEU 186 CO -0.03 1.03 0.24 -0.33 -0.62 0.00 0.00 178.44 178.72 2chg h GLU 187 N 0.96 1.12 -0.37 1.25 4.39 -1.16 -0.81 114.58 119.96 2chg h GLU 187 Ca 0.18 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2chg h GLU 187 Cb 0.49 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2chg h GLU 187 CO 0.02 0.94 0.06 0.00 -1.16 0.00 0.00 179.01 178.88 2chg h ALA 188 N 1.18 0.49 -0.03 3.43 0.00 -0.80 -1.58 119.26 121.94 2chg h ALA 188 Ca 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2chg h ALA 188 Cb 0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2chg h ALA 188 CO -0.01 0.20 0.02 1.25 0.00 0.00 0.00 179.25 180.71 2chg h LEU 189 N 0.46 0.04 -0.52 0.00 5.85 -0.98 -1.93 115.31 118.23 2chg h LEU 189 Ca 0.11 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.90 2chg h LEU 189 Cb 0.36 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 2chg h LEU 189 CO 0.01 0.03 0.18 0.40 -0.34 0.00 0.00 178.44 178.72 2chg h ILE 190 N 0.04 0.81 -0.37 4.05 2.04 -1.13 -1.77 117.51 121.18 2chg h ILE 190 Ca 0.01 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.83 2chg h ILE 190 Cb -0.00 0.42 -0.09 0.00 -0.74 0.00 0.00 36.82 36.41 2chg h ILE 190 CO -0.00 0.07 -0.27 0.22 0.00 0.00 0.00 178.15 178.16 2chg h TYR 191 N 0.36 -0.72 -0.12 1.37 -0.00 -0.92 -2.24 116.97 114.71 2chg h TYR 191 Ca 0.25 0.05 -0.03 0.00 -0.00 0.00 0.00 58.73 59.00 2chg h TYR 191 Cb 0.28 0.37 -0.01 0.00 -0.00 0.00 0.00 36.73 37.38 2chg h TYR 191 CO -0.17 -0.34 -0.08 0.82 -0.00 0.00 0.00 178.16 178.40 2chg h ILE 192 N -0.21 1.13 -0.97 1.81 5.03 -1.12 -3.12 117.51 120.06 2chg h ILE 192 Ca 0.18 -0.55 0.07 0.00 -0.12 0.00 0.00 64.86 64.44 2chg h ILE 192 Cb 0.50 1.13 -0.07 0.00 -3.03 0.00 0.00 36.82 35.35 2chg h ILE 192 CO -0.49 0.17 0.62 0.77 -0.68 0.00 0.00 178.15 178.54 2chg h SER 193 N 0.17 0.97 -1.04 1.72 4.64 -0.68 -3.46 113.55 115.87 2chg h SER 193 Ca 0.04 0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 61.00 2chg h SER 193 Cb 0.25 -0.19 -0.13 0.00 -0.31 0.00 0.00 62.40 62.02 2chg h SER 193 CO 0.01 0.61 -0.35 0.61 -0.87 0.00 0.00 176.83 176.84 2chg n GLY 194 N -1.38 1.54 1.15 -0.77 0.00 -1.18 -1.98 105.19 102.57 2chg n GLY 194 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2chg n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2chg n GLY 195 N -0.79 0.75 3.35 -0.02 0.00 -1.26 -5.04 105.19 102.17 2chg n GLY 195 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2chg n GLY 195 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2chg s ASP 196 N -2.57 5.51 0.26 1.61 -1.08 -0.84 -4.75 116.67 114.81 2chg s ASP 196 Ca 0.00 -0.96 -0.04 0.00 -0.52 0.00 0.00 52.55 51.03 2chg s ASP 196 Cb 0.00 -1.95 0.30 0.00 -1.46 0.00 0.00 42.92 39.81 2chg s ASP 196 CO 0.00 -0.32 1.85 -0.26 0.52 0.00 0.00 175.17 176.96 2chg h PHE 197 N 8.33 1.08 -0.10 -5.34 -1.00 -1.87 -1.72 116.94 116.32 2chg h PHE 197 Ca -0.26 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.47 2chg h PHE 197 Cb 1.10 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 40.32 2chg h PHE 197 CO 0.59 0.79 0.06 -0.09 -1.61 0.00 0.00 178.31 178.05 2chg h ARG 198 N 1.08 0.14 -0.34 1.51 2.43 -1.94 0.05 114.38 117.30 2chg h ARG 198 Ca 0.26 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2chg h ARG 198 Cb 0.12 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2chg h ARG 198 CO -0.03 0.15 0.15 -0.22 -1.51 0.00 0.00 179.97 178.51 2chg h LYS 199 N 0.09 0.31 -0.19 0.20 3.64 -1.84 -1.44 116.57 117.33 2chg h LYS 199 Ca 0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2chg h LYS 199 Cb 0.05 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2chg h LYS 199 CO -0.01 0.21 0.07 0.00 -2.27 0.00 0.00 179.45 177.45 2chg h ALA 200 N 1.19 0.25 -0.34 5.00 0.00 -1.07 -1.73 119.26 122.57 2chg h ALA 200 Ca 0.15 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2chg h ALA 200 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2chg h ALA 200 CO -0.12 -0.14 -0.27 0.82 0.00 0.00 0.00 179.25 179.54 2chg h ILE 201 N 0.15 1.28 -0.27 0.00 2.04 -0.97 -0.64 117.51 119.09 2chg h ILE 201 Ca 0.06 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 2chg h ILE 201 Cb 0.20 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2chg h ILE 201 CO -0.00 0.45 0.16 0.78 0.00 0.00 0.00 178.15 179.54 2chg h ASN 202 N 0.60 0.33 -0.52 1.72 2.35 -1.19 -0.53 115.58 118.34 2chg h ASN 202 Ca 0.08 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 2chg h ASN 202 Cb 0.77 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 2chg h ASN 202 CO 0.06 0.29 0.13 0.00 -1.65 0.00 0.00 177.43 176.26 2chg h ALA 203 N 1.05 1.15 -0.56 -0.83 0.00 -1.16 -2.19 119.26 116.72 2chg h ALA 203 Ca 0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2chg h ALA 203 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2chg h ALA 203 CO -0.02 0.57 0.01 1.25 0.00 0.00 0.00 179.25 181.06 2chg h LEU 204 N 0.85 0.96 -0.46 0.00 5.85 -0.80 -0.72 115.31 120.99 2chg h LEU 204 Ca 0.18 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 2chg h LEU 204 Cb 0.33 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2chg h LEU 204 CO 0.00 1.03 0.10 -0.61 -0.34 0.00 0.00 178.44 178.62 2chg h GLN 205 N 0.86 0.74 -0.77 1.25 4.15 -0.84 -0.83 115.11 119.67 2chg h GLN 205 Ca 0.16 -0.18 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 2chg h GLN 205 Cb 0.53 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 2chg h GLN 205 CO 0.03 0.74 0.29 0.78 -1.93 0.00 0.00 178.83 178.74 2chg h GLY 206 N 0.61 1.25 1.45 2.39 0.00 -1.31 -1.86 103.07 105.61 2chg h GLY 206 Ca 0.14 -0.70 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 2chg h GLY 206 CO 0.00 0.65 -0.14 0.00 0.00 0.00 0.00 176.54 177.06 2chg h ALA 207 N 1.15 1.07 0.00 3.60 0.00 -0.93 -2.97 119.26 121.18 2chg h ALA 207 Ca 0.26 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2chg h ALA 207 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2chg h ALA 207 CO -0.02 0.57 -0.46 0.00 0.00 0.00 0.00 179.25 179.34 2chg h ALA 208 N 1.25 0.82 0.00 0.00 0.00 -0.86 -3.22 119.26 117.25 2chg h ALA 208 Ca 0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2chg h ALA 208 Cb 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2chg h ALA 208 CO 0.04 0.57 -0.13 0.00 0.00 0.00 0.00 179.25 179.73 2chg h ALA 209 N 1.54 1.12 -0.44 0.00 0.00 -1.17 -1.67 119.26 118.64 2chg h ALA 209 Ca -0.00 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2chg h ALA 209 Cb 1.15 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2chg h ALA 209 CO 0.06 0.17 0.30 0.82 0.00 0.00 0.00 179.25 180.60 2chg h ILE 210 N 0.00 0.91 0.00 0.00 2.04 -1.63 -3.46 117.51 115.37 2chg h ILE 210 Ca -0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2chg h ILE 210 Cb 0.50 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2chg h ILE 210 CO 0.02 0.05 0.00 0.61 0.00 0.00 0.00 178.15 178.83 2chg n GLY 211 N -1.54 0.62 3.75 5.37 0.00 -0.63 -5.08 105.19 107.69 2chg n GLY 211 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2chg n GLY 211 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2chg s GLU 212 N -0.82 2.17 -0.00 1.61 0.41 -1.26 -5.08 118.70 115.73 2chg s GLU 212 Ca 0.00 -2.36 -0.36 0.00 -0.41 0.00 0.00 54.97 51.84 2chg s GLU 212 Cb 0.00 -1.56 -0.14 0.00 -1.78 0.00 0.00 34.13 30.65 2chg s GLU 212 CO 0.00 -0.33 1.64 0.28 -0.49 0.00 0.00 175.26 176.35 2chg n VAL 213 N -1.25 0.22 -3.06 2.63 0.31 -1.26 -4.71 118.33 111.20 2chg n VAL 213 Ca -0.17 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.71 2chg n VAL 213 Cb 0.67 -1.41 -0.06 0.00 -0.91 0.00 0.00 33.84 32.13 2chg n VAL 213 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2chg s VAL 214 N 2.15 4.97 0.00 2.52 1.01 0.65 -4.97 120.40 126.73 2chg s VAL 214 Ca 0.87 1.25 0.00 0.00 0.00 0.00 0.00 61.98 64.10 2chg s VAL 214 Cb -0.81 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 31.59 2chg s VAL 214 CO 0.49 0.04 0.00 -0.90 0.00 0.00 0.00 175.10 174.72 2chg n ASP 215 N 5.52 1.28 -0.14 3.32 5.68 -1.26 -0.54 116.55 130.41 2chg n ASP 215 Ca 0.00 -0.98 -0.07 0.00 -0.50 0.00 0.00 54.79 53.25 2chg n ASP 215 Cb 0.49 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.57 2chg n ASP 215 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2chg h ALA 216 N 1.00 0.95 -0.70 2.12 0.00 -1.83 -2.33 119.26 118.47 2chg h ALA 216 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2chg h ALA 216 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2chg h ALA 216 CO 0.00 0.62 0.46 -0.44 0.00 0.00 0.00 179.25 179.89 2chg h ASP 217 N 0.80 0.77 -0.60 0.00 3.32 -1.97 -1.53 116.42 117.21 2chg h ASP 217 Ca 0.14 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2chg h ASP 217 Cb 0.57 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 2chg h ASP 217 CO 0.03 0.55 0.23 0.00 -1.72 0.00 0.00 179.24 178.34 2chg h THR 218 N 0.92 1.23 -0.12 0.35 1.03 -1.83 -0.85 112.91 113.63 2chg h THR 218 Ca 0.26 -0.74 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 2chg h THR 218 Cb -0.07 0.49 -0.01 0.00 -1.07 0.00 0.00 68.15 67.50 2chg h THR 218 CO -0.07 0.29 0.07 0.40 -0.01 0.00 0.00 175.52 176.20 2chg h ILE 219 N 0.92 1.05 -0.02 0.00 1.08 -1.02 -1.47 117.51 118.04 2chg h ILE 219 Ca 0.21 -0.11 -0.09 0.00 -0.39 0.00 0.00 64.86 64.48 2chg h ILE 219 Cb 0.21 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 2chg h ILE 219 CO -0.02 0.05 -0.41 1.88 -0.69 0.00 0.00 178.15 178.96 2chg h TYR 220 N 0.14 0.05 -0.14 1.37 0.05 -1.12 -2.05 116.97 115.27 2chg h TYR 220 Ca 0.04 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 2chg h TYR 220 Cb 0.01 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 2chg h TYR 220 CO -0.06 0.45 0.05 0.37 -1.05 0.00 0.00 178.16 177.92 2chg h GLN 221 N 0.04 0.22 -0.95 4.88 4.15 -0.93 0.20 115.11 122.72 2chg h GLN 221 Ca 0.00 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.42 2chg h GLN 221 Cb 0.75 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.35 2chg h GLN 221 CO 0.06 0.34 0.61 0.82 -1.93 0.00 0.00 178.83 178.73 2chg h ILE 222 N 0.05 1.13 0.00 2.39 1.08 -1.14 -2.90 117.51 118.12 2chg h ILE 222 Ca 0.05 -0.40 -0.10 0.00 -0.39 0.00 0.00 64.86 64.02 2chg h ILE 222 Cb 0.21 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 33.81 2chg h ILE 222 CO -0.00 0.21 -0.48 0.74 -0.69 0.00 0.00 178.15 177.93 2chg h THR 223 N 1.16 0.83 0.00 -0.27 2.02 -1.17 -2.61 112.91 112.86 2chg h THR 223 Ca 0.39 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.43 2chg h THR 223 Cb 0.06 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2chg h THR 223 CO -0.14 0.47 0.00 0.00 0.37 0.00 0.00 175.52 176.22 2chg h ALA 224 N 1.52 1.00 -0.33 6.16 0.00 -0.76 -3.18 119.26 123.68 2chg h ALA 224 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2chg h ALA 224 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2chg h ALA 224 CO 0.06 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.56 2chg n THR 225 N -2.88 2.29 0.36 0.00 -2.24 -1.00 -5.10 114.28 105.71 2chg n THR 225 Ca 0.03 -1.74 0.03 0.00 -2.27 0.00 0.00 64.05 60.09 2chg n THR 225 Cb 0.39 -0.21 0.17 0.00 -2.10 0.00 0.00 70.33 68.58 2chg n THR 225 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50