#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 0.25 -0.13 -4.13 2.12 -1.26 -5.16 118.70 110.38 2chg s GLU 5 Ca 0.00 0.51 0.01 0.00 0.36 0.00 0.00 54.97 55.84 2chg s GLU 5 Cb 0.00 0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.56 2chg s GLU 5 CO 0.00 -0.07 -0.16 0.96 -0.54 0.00 0.00 175.26 175.46 2chg s ILE 6 N 1.73 2.76 0.46 -3.70 -4.36 -1.26 -4.99 121.20 111.83 2chg s ILE 6 Ca -0.06 -0.76 0.27 0.00 -0.26 0.00 0.00 60.65 59.85 2chg s ILE 6 Cb -0.04 -2.15 0.30 0.00 1.25 0.00 0.00 42.46 41.83 2chg s ILE 6 CO -0.15 0.53 2.11 -0.50 0.24 0.00 0.00 174.94 177.17 2chg h TRP 7 N 6.92 0.00 0.00 1.37 4.06 -1.97 0.24 115.95 126.58 2chg h TRP 7 Ca -0.27 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.68 2chg h TRP 7 Cb 1.21 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.37 2chg h TRP 7 CO 0.50 0.09 -0.01 0.28 -3.56 0.00 0.00 178.44 175.74 2chg h VAL 8 N 0.00 0.35 0.00 1.49 2.07 -1.92 0.21 116.25 118.45 2chg h VAL 8 Ca -0.00 -0.06 -0.29 0.00 0.82 0.00 0.00 66.70 67.17 2chg h VAL 8 Cb 0.25 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2chg h VAL 8 CO 0.01 0.01 -2.08 -0.62 0.02 0.00 0.00 177.57 174.91 2chg n GLU 9 N -3.57 1.03 0.02 1.57 -0.58 0.70 -3.60 120.64 116.22 2chg n GLU 9 Ca -0.03 0.05 0.02 0.00 -0.42 0.00 0.00 57.16 56.78 2chg n GLU 9 Cb 0.10 -1.39 0.37 0.00 -0.57 0.00 0.00 31.44 29.94 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 0.00 0.49 -0.27 3.49 3.64 -0.93 -3.07 116.57 119.93 2chg h LYS 10 Ca -0.43 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 58.73 2chg h LYS 10 Cb 1.82 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 33.45 2chg h LYS 10 CO -0.02 0.44 -0.30 0.66 -2.27 0.00 0.00 179.45 177.96 2chg n TYR 11 N -4.36 0.87 -2.55 1.91 4.02 0.71 -4.99 117.16 112.77 2chg n TYR 11 Ca 0.02 -1.67 -0.42 0.00 -0.01 0.00 0.00 57.90 55.82 2chg n TYR 11 Cb 0.17 -0.41 -0.03 0.00 -0.02 0.00 0.00 39.34 39.05 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 -3.30 4.50 0.11 -0.72 3.52 -1.16 -4.95 118.95 116.94 2chg s ARG 12 Ca 0.43 1.62 -0.35 0.00 -0.13 0.00 0.00 55.73 57.30 2chg s ARG 12 Cb 0.40 -3.39 -0.18 0.00 -1.56 0.00 0.00 34.95 30.22 2chg s ARG 12 CO -0.03 -0.15 1.03 -2.30 -0.81 0.00 0.00 175.30 173.05 2chg n PRO 13 N 3.82 0.54 -0.00 5.12 -0.02 -1.26 -4.90 135.00 138.30 2chg n PRO 13 Ca 0.07 0.19 0.07 0.00 -2.02 0.00 0.00 63.50 61.81 2chg n PRO 13 Cb 0.48 -1.62 -0.09 0.00 -0.02 0.00 0.00 33.50 32.26 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 1.61 1.64 -3.67 -0.52 1.74 -1.26 -4.47 116.66 111.73 2chg n ARG 14 Ca 0.18 -0.05 -0.11 0.00 -0.77 0.00 0.00 57.85 57.09 2chg n ARG 14 Cb 0.18 -1.22 -0.05 0.00 -1.02 0.00 0.00 32.46 30.35 2chg n ARG 14 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2chg s THR 15 N -2.57 0.07 0.29 0.55 -1.32 -1.26 -4.59 115.64 106.82 2chg s THR 15 Ca 0.01 -0.61 0.04 0.00 -1.21 0.00 0.00 61.69 59.92 2chg s THR 15 Cb 0.10 -1.12 0.28 0.00 -1.51 0.00 0.00 72.50 70.25 2chg s THR 15 CO 0.56 -0.34 1.76 -0.07 -2.21 0.00 0.00 174.62 174.33 2chg h LEU 16 N 2.59 0.65 -1.91 9.08 4.07 -1.94 -1.17 115.31 126.68 2chg h LEU 16 Ca -0.33 0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2chg h LEU 16 Cb 1.24 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 2chg h LEU 16 CO 0.47 0.22 0.00 0.44 -1.08 0.00 0.00 178.44 178.49 2chg h ASP 17 N 0.67 0.00 0.64 -0.43 3.32 -1.97 -2.03 116.42 116.62 2chg h ASP 17 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 2chg h ASP 17 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2chg h ASP 17 CO -0.40 0.00 -0.27 -0.62 -1.72 0.00 0.00 179.24 176.23 2chg n GLU 18 N -2.80 0.12 -2.86 3.56 1.02 -0.44 -4.75 120.64 114.49 2chg n GLU 18 Ca -0.01 -0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.67 2chg n GLU 18 Cb 0.15 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 2chg n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2chg s VAL 19 N -2.91 4.71 0.06 2.62 0.11 -0.77 -4.69 120.40 119.53 2chg s VAL 19 Ca 0.15 1.83 0.07 0.00 -2.93 0.00 0.00 61.98 61.09 2chg s VAL 19 Cb 0.18 -4.21 -0.04 0.00 -1.53 0.00 0.00 36.38 30.79 2chg s VAL 19 CO 0.61 0.30 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.85 2chg s VAL 20 N 0.22 3.09 0.00 2.04 1.01 -1.26 -4.61 120.40 120.88 2chg s VAL 20 Ca 0.43 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2chg s VAL 20 Cb -0.21 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.80 2chg s VAL 20 CO 0.26 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2chg n GLY 21 N 1.22 0.77 2.52 4.51 0.00 -1.26 -4.91 105.19 108.04 2chg n GLY 21 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.32 2.46 -0.10 1.61 1.13 -1.26 -4.74 117.38 114.15 2chg n GLN 22 Ca 0.00 -3.77 -0.06 0.00 -1.94 0.00 0.00 57.00 51.23 2chg n GLN 22 Cb 0.00 -1.86 0.01 0.00 0.11 0.00 0.00 30.24 28.49 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 2.46 -0.26 -0.80 1.08 3.45 -1.91 -0.29 116.42 120.16 2chg h ASP 23 Ca 0.06 0.10 0.18 0.00 0.43 0.00 0.00 57.03 57.80 2chg h ASP 23 Cb 1.36 0.19 -0.11 0.00 -0.56 0.00 0.00 39.33 40.20 2chg h ASP 23 CO 0.42 -0.09 0.26 -0.08 -1.57 0.00 0.00 179.24 178.18 2chg h GLU 24 N 0.03 0.32 -0.09 3.56 4.22 -1.96 0.17 114.58 120.83 2chg h GLU 24 Ca 0.17 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.53 2chg h GLU 24 Cb 0.25 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2chg h GLU 24 CO -0.33 0.21 -0.17 0.28 -2.18 0.00 0.00 179.01 176.83 2chg h VAL 25 N 0.33 1.39 -0.16 0.32 2.07 -1.50 -3.11 116.25 115.59 2chg h VAL 25 Ca 0.47 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 2chg h VAL 25 Cb 0.83 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2chg h VAL 25 CO -0.51 0.41 0.10 0.40 0.02 0.00 0.00 177.57 177.99 2chg h ILE 26 N -0.18 1.07 -0.48 4.57 1.08 -0.14 -1.64 117.51 121.79 2chg h ILE 26 Ca 0.00 -0.17 0.07 0.00 -0.39 0.00 0.00 64.86 64.38 2chg h ILE 26 Cb 0.74 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 35.32 2chg h ILE 26 CO 0.04 0.07 0.13 1.56 -0.69 0.00 0.00 178.15 179.25 2chg h GLN 27 N 0.19 0.27 0.00 2.37 1.08 -0.81 -0.93 115.11 117.29 2chg h GLN 27 Ca 0.06 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 2chg h GLN 27 Cb 0.02 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 2chg h GLN 27 CO -0.01 0.18 -0.32 0.00 -0.95 0.00 0.00 178.83 177.72 2chg h ARG 28 N 0.28 0.00 0.19 1.46 3.08 -1.43 -3.13 114.38 114.84 2chg h ARG 28 Ca 0.23 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.96 2chg h ARG 28 Cb 0.28 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.35 2chg h ARG 28 CO -0.27 0.32 -1.47 1.25 -1.07 0.00 0.00 179.97 178.73 2chg h LEU 29 N 0.00 0.64 -1.59 3.04 5.85 -0.59 -3.24 115.31 119.42 2chg h LEU 29 Ca -0.00 -0.74 0.12 0.00 0.84 0.00 0.00 57.88 58.09 2chg h LEU 29 Cb 0.61 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2chg h LEU 29 CO 0.04 1.59 0.46 0.11 -0.34 0.00 0.00 178.44 180.31 2chg h LYS 30 N 0.11 0.42 0.00 1.25 1.57 -1.14 -1.43 116.57 117.36 2chg h LYS 30 Ca -0.24 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 2chg h LYS 30 Cb 2.09 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 34.30 2chg h LYS 30 CO 0.23 0.28 -0.05 0.78 -0.57 0.00 0.00 179.45 180.12 2chg h GLY 31 N 0.44 0.00 1.47 3.86 0.00 -1.58 -2.62 103.07 104.64 2chg h GLY 31 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.38 2chg h GLY 31 CO -0.10 0.00 -1.36 -0.97 0.00 0.00 0.00 176.54 174.11 2chg h TYR 32 N 0.00 0.33 -0.04 5.60 0.05 -1.39 -3.21 116.97 118.31 2chg h TYR 32 Ca -0.00 -0.24 -0.09 0.00 0.05 0.00 0.00 58.73 58.45 2chg h TYR 32 Cb 0.21 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 2chg h TYR 32 CO 0.00 1.24 -0.38 -0.39 -1.05 0.00 0.00 178.16 177.58 2chg h VAL 33 N 0.05 1.28 0.34 -2.88 -1.51 -1.44 -0.35 116.25 111.75 2chg h VAL 33 Ca -0.17 -1.36 -0.01 0.00 -1.23 0.00 0.00 66.70 63.93 2chg h VAL 33 Cb 1.95 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 32.79 2chg h VAL 33 CO 0.16 0.39 -0.23 -0.33 -1.23 0.00 0.00 177.57 176.33 2chg h GLU 34 N 0.07 -0.54 0.00 5.19 5.08 -1.59 -2.36 114.58 120.43 2chg h GLU 34 Ca 0.01 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2chg h GLU 34 Cb 0.71 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2chg h GLU 34 CO 0.05 -0.36 0.00 0.54 -1.00 0.00 0.00 179.01 178.24 2chg n ARG 35 N -5.36 0.24 -2.34 2.33 5.12 -1.01 -4.87 116.66 110.78 2chg n ARG 35 Ca -0.10 0.12 -0.13 0.00 -1.93 0.00 0.00 57.85 55.81 2chg n ARG 35 Cb 0.27 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.06 2chg n ARG 35 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2chg n LYS 36 N -1.21 -2.09 -3.66 5.56 5.02 -0.17 -4.93 118.16 116.68 2chg n LYS 36 Ca 0.07 0.65 -0.13 0.00 -2.02 0.00 0.00 58.31 56.87 2chg n LYS 36 Cb 0.09 -5.22 -0.08 0.00 -0.02 0.00 0.00 35.03 29.80 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 -2.04 -0.68 0.10 4.39 2.47 -1.00 -4.93 114.94 113.25 2chg s ASN 37 Ca 0.00 1.29 0.07 0.00 0.42 0.00 0.00 52.86 54.64 2chg s ASN 37 Cb 0.00 1.30 -0.03 0.00 -1.45 0.00 0.00 41.25 41.06 2chg s ASN 37 CO 0.00 -0.22 -0.19 0.27 -3.72 0.00 0.00 177.10 173.24 2chg s ILE 38 N 0.45 1.53 1.02 -5.21 -4.36 -1.26 -4.70 121.20 108.67 2chg s ILE 38 Ca -0.01 -1.49 -0.17 0.00 -0.26 0.00 0.00 60.65 58.72 2chg s ILE 38 Cb -0.05 -1.42 0.22 0.00 1.25 0.00 0.00 42.46 42.46 2chg s ILE 38 CO -0.01 -0.12 1.27 -2.16 0.24 0.00 0.00 174.94 174.16 2chg s PRO 39 N -1.90 0.21 0.51 0.37 0.04 -1.26 -4.98 135.00 128.00 2chg s PRO 39 Ca 0.04 -0.32 -0.22 0.00 0.04 0.00 0.00 61.00 60.55 2chg s PRO 39 Cb -0.10 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 2chg s PRO 39 CO 0.04 -2.71 1.26 -1.01 0.04 0.00 0.00 177.00 174.61 2chg s HIS 40 N -3.67 2.54 0.06 0.56 3.76 -1.26 -4.79 115.29 112.49 2chg s HIS 40 Ca 0.73 1.46 0.09 0.00 -0.15 0.00 0.00 55.06 57.19 2chg s HIS 40 Cb -0.05 -3.59 -0.03 0.00 1.11 0.00 0.00 32.58 30.01 2chg s HIS 40 CO 0.54 -2.24 -0.25 -0.51 -0.85 0.00 0.00 174.74 171.42 2chg s LEU 41 N -3.37 2.19 -0.23 0.89 1.02 0.51 -1.16 118.68 118.54 2chg s LEU 41 Ca 0.69 -0.61 0.01 0.00 0.02 0.00 0.00 54.13 54.24 2chg s LEU 41 Cb -0.34 -1.20 0.06 0.00 0.02 0.00 0.00 46.19 44.72 2chg s LEU 41 CO 0.41 0.22 -0.06 -0.22 0.02 0.00 0.00 176.35 176.71 2chg s LEU 42 N -1.38 2.64 -0.33 1.79 0.20 -0.35 -0.45 118.68 120.82 2chg s LEU 42 Ca 0.11 -1.17 -0.15 0.00 0.69 0.00 0.00 54.13 53.61 2chg s LEU 42 Cb -0.10 -1.23 -0.02 0.00 -0.43 0.00 0.00 46.19 44.42 2chg s LEU 42 CO 0.03 -0.22 0.34 -0.36 -0.29 0.00 0.00 176.35 175.84 2chg s PHE 43 N 1.36 3.22 -0.01 5.38 2.99 0.16 -0.84 117.98 130.23 2chg s PHE 43 Ca -0.06 0.02 0.08 0.00 0.00 0.00 0.00 56.93 56.98 2chg s PHE 43 Cb -0.19 -2.62 -0.02 0.00 0.00 0.00 0.00 43.02 40.20 2chg s PHE 43 CO -0.06 -0.38 -0.26 0.45 -0.00 0.00 0.00 175.22 174.97 2chg s SER 44 N 1.72 3.07 0.00 1.36 0.15 0.57 -0.45 113.70 120.12 2chg s SER 44 Ca 0.11 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2chg s SER 44 Cb -0.16 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 2chg s SER 44 CO 0.11 0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.48 2chg n GLY 45 N 2.37 1.16 3.67 9.45 0.00 -0.42 0.10 105.19 121.52 2chg n GLY 45 Ca -0.16 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 2chg n GLY 45 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2chg s PRO 46 N -1.56 0.98 0.36 1.61 0.02 -1.26 -4.07 135.00 131.08 2chg s PRO 46 Ca 0.00 1.46 -0.27 0.00 0.02 0.00 0.00 61.00 62.20 2chg s PRO 46 Cb 0.00 -1.73 -0.10 0.00 0.02 0.00 0.00 34.50 32.69 2chg s PRO 46 CO 0.00 -2.63 1.28 -2.14 -0.33 0.00 0.00 177.00 173.18 2chg s PRO 47 N -4.66 4.22 0.00 5.54 0.02 -1.26 -3.73 135.00 135.13 2chg s PRO 47 Ca 0.66 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.81 2chg s PRO 47 Cb -0.22 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.36 2chg s PRO 47 CO 0.58 -0.27 0.00 0.41 -0.33 0.00 0.00 177.00 177.39 2chg n GLY 48 N 0.76 0.54 0.12 0.52 0.00 -1.26 -4.91 105.19 100.96 2chg n GLY 48 Ca 0.02 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.89 0.00 0.00 2.61 -2.24 -1.24 -4.08 114.28 106.44 2chg n THR 49 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2chg n THR 49 Cb 0.00 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 1.34 1.75 0.11 3.38 0.00 -1.26 -4.86 105.19 105.64 2chg n GLY 50 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 0.25 -0.19 1.61 1.57 -1.92 0.26 116.57 118.15 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 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2chg h LYS 51 CO 0.00 0.28 0.07 1.15 -0.57 0.00 0.00 179.45 180.39 2chg h THR 52 N 0.15 1.17 -0.66 -0.16 2.02 -1.99 -1.86 112.91 111.59 2chg h THR 52 Ca 0.06 -0.51 0.10 0.00 0.77 0.00 0.00 66.41 66.83 2chg h THR 52 Cb 0.12 1.15 -0.08 0.00 -1.74 0.00 0.00 68.15 67.60 2chg h THR 52 CO -0.01 0.16 0.27 0.00 0.37 0.00 0.00 175.52 176.31 2chg h ALA 53 N 0.91 0.88 0.00 6.16 0.00 -1.94 -0.65 119.26 124.62 2chg h ALA 53 Ca 0.06 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2chg h ALA 53 Cb 0.19 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2chg h ALA 53 CO -0.00 -0.16 -0.53 0.00 0.00 0.00 0.00 179.25 178.55 2chg h THR 54 N 0.46 1.34 -0.67 0.00 1.03 -0.79 -0.88 112.91 113.40 2chg h THR 54 Ca 0.33 -1.86 -0.08 0.00 -0.01 0.00 0.00 66.41 64.79 2chg h THR 54 Cb 0.42 2.01 -0.03 0.00 -1.07 0.00 0.00 68.15 69.48 2chg h THR 54 CO -0.31 0.52 0.10 0.00 -0.01 0.00 0.00 175.52 175.82 2chg h ALA 55 N 1.47 0.89 -0.22 0.00 0.00 -0.50 0.90 119.26 121.79 2chg h ALA 55 Ca -0.01 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2chg h ALA 55 Cb 0.97 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2chg h ALA 55 CO 0.07 0.67 -0.28 0.82 0.00 0.00 0.00 179.25 180.53 2chg h ILE 56 N 1.04 1.33 -0.44 0.00 2.04 -0.99 -1.84 117.51 118.65 2chg h ILE 56 Ca 0.20 -1.47 0.02 0.00 1.00 0.00 0.00 64.86 64.61 2chg h ILE 56 Cb 0.46 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2chg h ILE 56 CO 0.02 0.46 0.26 0.00 0.00 0.00 0.00 178.15 178.88 2chg h ALA 57 N 0.64 0.55 -0.72 1.87 0.00 -1.04 -0.59 119.26 119.98 2chg h ALA 57 Ca 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2chg h ALA 57 Cb 0.85 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2chg h ALA 57 CO 0.07 -0.06 0.47 1.25 0.00 0.00 0.00 179.25 180.97 2chg h LEU 58 N 0.52 0.79 -0.83 0.00 7.12 -0.82 -0.92 115.31 121.17 2chg h LEU 58 Ca 0.17 -0.01 -0.09 0.00 0.13 0.00 0.00 57.88 58.08 2chg h LEU 58 Cb 0.01 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 39.94 2chg h LEU 58 CO -0.08 0.56 -0.09 0.00 -0.13 0.00 0.00 178.44 178.70 2chg h ALA 59 N 1.28 1.01 -0.34 1.25 0.00 -0.66 -1.48 119.26 120.33 2chg h ALA 59 Ca 0.28 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2chg h ALA 59 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2chg h ALA 59 CO -0.08 0.60 -0.29 0.00 0.00 0.00 0.00 179.25 179.47 2chg h ARG 60 N 0.71 0.79 -0.88 0.00 3.08 -0.79 -1.32 114.38 115.97 2chg h ARG 60 Ca 0.12 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 2chg h ARG 60 Cb 0.56 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 2chg h ARG 60 CO 0.03 1.03 0.52 -0.44 -1.07 0.00 0.00 179.97 180.04 2chg h ASP 61 N 0.57 1.07 0.30 7.04 3.32 -1.00 -0.42 116.42 127.30 2chg h ASP 61 Ca 0.06 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 2chg h ASP 61 Cb 0.87 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2chg h ASP 61 CO 0.07 0.83 -0.68 -0.07 -1.72 0.00 0.00 179.24 177.67 2chg h LEU 62 N 1.22 0.40 0.00 1.55 3.38 -1.19 -3.40 115.31 117.28 2chg h LEU 62 Ca 0.31 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2chg h LEU 62 Cb -0.03 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2chg h LEU 62 CO -0.06 0.97 -1.12 0.49 0.09 0.00 0.00 178.44 178.81 2chg n PHE 63 N -3.84 0.00 -4.25 1.13 0.99 -0.51 -4.98 117.46 106.00 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 0.68 -0.11 0.00 0.00 -1.00 0.00 0.00 39.48 39.04 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 2.04 0.05 0.28 1.37 0.00 -0.18 -3.93 105.19 104.82 2chg n GLY 64 Ca -0.01 -0.97 0.17 0.00 0.00 0.00 0.00 46.02 45.21 2chg n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2chg h GLU 65 N 0.00 0.00 -0.65 1.61 5.08 -1.97 -2.80 114.58 115.85 2chg h GLU 65 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2chg h GLU 65 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2chg h GLU 65 CO 0.00 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 178.13 2chg n ASN 66 N -3.17 1.28 -0.14 1.42 5.03 -1.25 -4.52 115.26 113.92 2chg n ASN 66 Ca -0.00 -2.09 -0.05 0.00 0.87 0.00 0.00 54.58 53.31 2chg n ASN 66 Cb 0.28 -0.37 0.14 0.00 -1.02 0.00 0.00 39.78 38.81 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 0.58 0.91 -0.22 3.10 5.08 -1.70 -2.74 115.95 120.95 2chg h TRP 67 Ca 0.00 -0.12 -0.03 0.00 1.08 0.00 0.00 58.89 59.81 2chg h TRP 67 Cb 0.51 -0.25 -0.01 0.00 -3.00 0.00 0.00 29.16 26.41 2chg h TRP 67 CO 0.12 0.82 -0.00 0.00 -1.28 0.00 0.00 178.44 178.10 2chg h ARG 68 N 0.80 0.33 0.00 0.12 3.08 -1.88 0.27 114.38 117.10 2chg h ARG 68 Ca 0.16 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2chg h ARG 68 Cb 0.44 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2chg h ARG 68 CO 0.02 0.36 -0.00 -0.44 -1.07 0.00 0.00 179.97 178.84 2chg h ASP 69 N 0.32 0.00 -0.15 7.04 5.19 -1.84 -3.24 116.42 123.74 2chg h ASP 69 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2chg h ASP 69 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 2chg h ASP 69 CO 0.01 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.72 2chg n ASN 70 N -3.09 2.49 -3.91 6.45 3.02 0.04 -4.77 115.26 115.49 2chg n ASN 70 Ca -0.01 -2.11 -0.17 0.00 -0.03 0.00 0.00 54.58 52.27 2chg n ASN 70 Cb 0.23 -0.14 -0.15 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.18 0.47 0.04 3.10 2.19 -0.94 0.55 117.98 122.21 2chg s PHE 71 Ca 0.13 -0.09 0.03 0.00 0.33 0.00 0.00 56.93 57.33 2chg s PHE 71 Cb 0.08 -0.39 -0.02 0.00 -1.31 0.00 0.00 43.02 41.38 2chg s PHE 71 CO 0.07 -0.07 -0.09 -1.50 1.83 0.00 0.00 175.22 175.46 2chg s ILE 72 N 0.35 0.67 -0.03 3.12 2.07 -0.62 -4.84 121.20 121.92 2chg s ILE 72 Ca -0.04 -1.05 0.04 0.00 -1.41 0.00 0.00 60.65 58.19 2chg s ILE 72 Cb -0.07 -0.70 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 2chg s ILE 72 CO -0.00 -0.29 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.01 2chg s GLU 73 N -1.46 2.49 0.10 3.50 2.02 -1.26 -0.36 118.70 123.73 2chg s GLU 73 Ca -0.07 -0.72 -0.12 0.00 0.02 0.00 0.00 54.97 54.08 2chg s GLU 73 Cb -0.09 -2.41 0.02 0.00 0.10 0.00 0.00 34.13 31.75 2chg s GLU 73 CO 0.01 0.62 0.29 0.00 0.02 0.00 0.00 175.26 176.19 2chg s MET 74 N -0.96 0.94 -0.19 1.61 0.23 0.02 -4.95 119.30 116.00 2chg s MET 74 Ca 0.13 -0.82 -0.21 0.00 -1.03 0.00 0.00 55.69 53.76 2chg s MET 74 Cb -0.11 0.40 -0.03 0.00 -1.53 0.00 0.00 34.83 33.56 2chg s MET 74 CO 0.03 -0.33 0.62 1.21 -2.03 0.00 0.00 175.02 174.51 2chg s ASN 75 N -2.79 6.69 0.34 -1.18 3.84 -1.26 -0.34 114.94 120.24 2chg s ASN 75 Ca 0.03 0.83 0.26 0.00 0.21 0.00 0.00 52.86 54.20 2chg s ASN 75 Cb 0.03 -2.34 1.13 0.00 -0.55 0.00 0.00 41.25 39.52 2chg s ASN 75 CO -0.11 -0.25 1.79 0.00 -2.79 0.00 0.00 177.10 175.74 2chg h ALA 76 N 7.43 1.00 -0.72 1.71 0.00 -0.06 -3.24 119.26 125.37 2chg h ALA 76 Ca -0.32 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.13 2chg h ALA 76 Cb 1.15 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.67 2chg h ALA 76 CO 0.77 0.00 0.11 -1.13 0.00 0.00 0.00 179.25 178.99 2chg n SER 77 N -2.45 4.70 -4.55 0.00 3.41 -1.26 -4.87 113.62 108.61 2chg n SER 77 Ca 0.01 -3.76 -0.51 0.00 -0.26 0.00 0.00 58.87 54.35 2chg n SER 77 Cb 0.22 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 63.43 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 -0.97 0.89 0.10 4.04 -0.08 -1.23 -4.88 116.55 114.41 2chg n ASP 78 Ca 0.48 1.14 0.11 0.00 -1.51 0.00 0.00 54.79 55.01 2chg n ASP 78 Cb 1.00 -1.13 0.45 0.00 2.34 0.00 0.00 41.12 43.78 2chg n ASP 78 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2chg n GLU 79 N 1.74 0.16 0.05 -0.67 1.02 -1.26 -2.73 120.64 118.96 2chg n GLU 79 Ca 0.17 0.33 0.11 0.00 -0.02 0.00 0.00 57.16 57.75 2chg n GLU 79 Cb 0.21 -1.78 0.46 0.00 -0.02 0.00 0.00 31.44 30.32 2chg n GLU 79 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2chg n ARG 80 N -2.08 0.10 0.00 3.49 3.00 -1.26 -5.00 116.66 114.91 2chg n ARG 80 Ca 0.03 0.20 0.00 0.00 -0.01 0.00 0.00 57.85 58.07 2chg n ARG 80 Cb 0.26 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.08 2chg n ARG 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2chg n GLY 81 N 0.75 3.31 0.34 -0.13 0.00 -1.10 -4.76 105.19 103.59 2chg n GLY 81 Ca 0.05 -1.83 0.19 0.00 0.00 0.00 0.00 46.02 44.43 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 0.12 -0.05 -0.61 6.09 -1.89 -1.80 117.51 119.37 2chg h ILE 82 Ca 0.00 0.00 -0.14 0.00 -1.37 0.00 0.00 64.86 63.35 2chg h ILE 82 Cb 0.00 0.86 -0.01 0.00 0.47 0.00 0.00 36.82 38.13 2chg h ILE 82 CO 0.00 0.00 -0.62 0.44 -3.07 0.00 0.00 178.15 174.90 2chg h ASP 83 N 0.00 0.20 -0.59 2.19 5.19 -1.97 -1.03 116.42 120.41 2chg h ASP 83 Ca 0.02 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.27 2chg h ASP 83 Cb 0.32 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.75 2chg h ASP 83 CO -0.00 0.76 0.21 0.58 -3.12 0.00 0.00 179.24 177.67 2chg h VAL 84 N 0.13 1.24 -0.03 -1.35 2.07 -1.62 -0.49 116.25 116.20 2chg h VAL 84 Ca -0.01 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 2chg h VAL 84 Cb 1.12 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2chg h VAL 84 CO 0.09 0.30 0.01 0.58 0.02 0.00 0.00 177.57 178.56 2chg h VAL 85 N 0.83 1.18 -0.70 2.57 2.07 -1.50 -2.17 116.25 118.54 2chg h VAL 85 Ca 0.19 -0.54 0.14 0.00 0.82 0.00 0.00 66.70 67.32 2chg h VAL 85 Cb 0.25 1.50 -0.10 0.00 -1.52 0.00 0.00 31.29 31.42 2chg h VAL 85 CO -0.01 0.14 0.17 0.03 0.02 0.00 0.00 177.57 177.92 2chg h ARG 86 N -0.18 0.27 -0.58 1.57 3.08 -1.09 -1.58 114.38 115.87 2chg h ARG 86 Ca 0.01 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2chg h ARG 86 Cb 0.23 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2chg h ARG 86 CO 0.00 0.18 0.11 1.25 -1.07 0.00 0.00 179.97 180.44 2chg h HIS 87 N 0.28 1.02 -0.73 3.04 2.76 -0.88 -1.75 115.15 118.88 2chg h HIS 87 Ca 0.38 -0.14 0.06 0.00 -2.20 0.00 0.00 60.37 58.47 2chg h HIS 87 Cb 0.62 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.26 2chg h HIS 87 CO -0.25 0.88 0.48 0.87 -1.30 0.00 0.00 177.93 178.61 2chg h LYS 88 N 0.86 0.77 -0.08 5.26 1.57 -0.77 0.16 116.57 124.35 2chg h LYS 88 Ca 0.18 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2chg h LYS 88 Cb 0.40 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2chg h LYS 88 CO 0.01 0.51 -0.01 0.82 -0.57 0.00 0.00 179.45 180.21 2chg h ILE 89 N 0.80 1.27 -0.17 1.86 2.04 -0.98 -2.38 117.51 119.95 2chg h ILE 89 Ca 0.31 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.35 2chg h ILE 89 Cb 0.20 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2chg h ILE 89 CO -0.10 0.24 -0.05 0.50 0.00 0.00 0.00 178.15 178.74 2chg h LYS 90 N -0.17 -0.02 -0.58 2.37 3.64 -0.81 -1.35 116.57 119.66 2chg h LYS 90 Ca 0.02 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2chg h LYS 90 Cb 0.38 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 2chg h LYS 90 CO 0.01 -0.01 0.38 0.93 -2.27 0.00 0.00 179.45 178.49 2chg h GLU 91 N -0.02 0.64 -0.00 1.90 4.39 -0.70 -1.24 114.58 119.55 2chg h GLU 91 Ca 0.08 -0.04 -0.25 0.00 0.34 0.00 0.00 59.36 59.50 2chg h GLU 91 Cb 0.14 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2chg h GLU 91 CO -0.18 0.42 -0.99 0.35 -1.16 0.00 0.00 179.01 177.45 2chg h PHE 92 N 0.66 0.83 -0.42 4.33 3.57 -0.81 -3.10 116.94 121.99 2chg h PHE 92 Ca 0.24 -0.45 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2chg h PHE 92 Cb 0.11 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2chg h PHE 92 CO -0.00 1.28 0.00 0.00 -2.23 0.00 0.00 178.31 177.36 2chg n ALA 93 N -2.59 2.44 0.17 2.41 0.00 -0.58 -4.02 120.51 118.33 2chg n ALA 93 Ca -0.09 -0.79 0.14 0.00 0.00 0.00 0.00 53.44 52.70 2chg n ALA 93 Cb 0.86 -0.97 0.71 0.00 0.00 0.00 0.00 19.45 20.04 2chg n ALA 93 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2chg h ARG 94 N 2.78 0.00 -6.29 0.00 0.11 -1.15 -3.43 114.38 106.41 2chg h ARG 94 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 2chg h ARG 94 Cb 0.63 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.61 2chg h ARG 94 CO 0.00 0.00 -0.63 0.95 0.10 0.00 0.00 179.97 180.39 2chg s THR 95 N -4.94 3.86 0.80 0.08 -4.23 -1.26 -5.12 115.64 104.83 2chg s THR 95 Ca -0.05 -1.44 -0.11 0.00 -1.18 0.00 0.00 61.69 58.92 2chg s THR 95 Cb 0.17 -2.98 0.07 0.00 1.34 0.00 0.00 72.50 71.11 2chg s THR 95 CO 0.66 -0.17 1.09 0.00 -0.54 0.00 0.00 174.62 175.67 2chg s ALA 96 N -1.85 2.11 0.68 3.99 0.00 -1.26 -5.00 121.76 120.43 2chg s ALA 96 Ca 0.29 0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.32 2chg s ALA 96 Cb -0.09 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.77 2chg s ALA 96 CO 0.20 -1.91 1.27 -2.14 0.00 0.00 0.00 175.76 173.18 2chg s PRO 97 N -4.89 2.35 0.07 0.00 0.02 -1.26 -5.01 135.00 126.28 2chg s PRO 97 Ca 0.62 1.97 -0.13 0.00 0.02 0.00 0.00 61.00 63.48 2chg s PRO 97 Cb -0.18 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 2chg s PRO 97 CO 0.56 -1.73 0.45 0.42 -0.33 0.00 0.00 177.00 176.37 2chg s ILE 98 N -1.60 5.00 -1.26 2.83 1.09 -1.26 -4.43 121.20 121.57 2chg s ILE 98 Ca 0.80 0.69 -0.05 0.00 -1.10 0.00 0.00 60.65 60.98 2chg s ILE 98 Cb -0.35 -3.70 0.01 0.00 -1.06 0.00 0.00 42.46 37.36 2chg s ILE 98 CO 0.42 0.37 0.73 0.61 -0.10 0.00 0.00 174.94 176.97 2chg n GLY 99 N 1.18 -0.33 2.51 6.18 0.00 -1.26 -3.01 105.19 110.46 2chg n GLY 99 Ca -0.09 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.57 0.43 3.75 -0.02 0.00 -1.26 -4.99 105.19 101.53 2chg n GLY 100 Ca -0.05 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 1.04 1.84 0.40 4.61 0.00 -1.16 -4.91 120.51 122.32 2chg n ALA 101 Ca -0.02 0.23 0.14 0.00 0.00 0.00 0.00 53.44 53.78 2chg n ALA 101 Cb 0.30 -2.36 0.47 0.00 0.00 0.00 0.00 19.45 17.85 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 2.12 0.00 -1.85 0.00 0.13 -1.93 -3.43 132.00 127.03 2chg h PRO 102 Ca -0.50 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 64.89 2chg h PRO 102 Cb 1.28 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.31 2chg h PRO 102 CO 0.60 0.00 0.68 -0.59 -0.23 0.00 0.00 178.00 178.47 2chg s PHE 103 N -3.33 -0.07 0.05 1.56 -0.12 -1.26 -4.92 117.98 109.88 2chg s PHE 103 Ca 0.06 -0.12 0.01 0.00 -0.05 0.00 0.00 56.93 56.82 2chg s PHE 103 Cb 0.09 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 43.03 2chg s PHE 103 CO 0.53 -0.52 0.14 0.15 -0.05 0.00 0.00 175.22 175.46 2chg s LYS 104 N -2.76 3.17 -0.18 1.99 1.02 -0.45 -4.89 119.74 117.65 2chg s LYS 104 Ca 0.14 -0.52 -0.06 0.00 0.02 0.00 0.00 55.97 55.54 2chg s LYS 104 Cb 0.02 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 2chg s LYS 104 CO -0.01 0.61 0.03 0.42 -0.92 0.00 0.00 175.35 175.48 2chg s ILE 105 N -1.38 4.49 -0.25 2.17 1.01 0.19 -0.62 121.20 126.81 2chg s ILE 105 Ca 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 2chg s ILE 105 Cb -0.12 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.34 2chg s ILE 105 CO 0.22 0.46 -0.03 -0.63 0.00 0.00 0.00 174.94 174.97 2chg s ILE 106 N 0.45 3.30 -0.35 2.92 1.01 -0.20 -1.59 121.20 126.74 2chg s ILE 106 Ca 0.01 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.78 2chg s ILE 106 Cb -0.13 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2chg s ILE 106 CO 0.01 0.27 0.38 0.12 0.00 0.00 0.00 174.94 175.72 2chg s PHE 107 N 1.43 3.20 -0.43 3.97 5.36 0.52 -0.75 117.98 131.27 2chg s PHE 107 Ca 0.03 -0.08 -0.10 0.00 -0.96 0.00 0.00 56.93 55.83 2chg s PHE 107 Cb -0.16 -2.71 0.08 0.00 -0.34 0.00 0.00 43.02 39.90 2chg s PHE 107 CO -0.03 -0.48 0.29 -0.51 -1.46 0.00 0.00 175.22 173.04 2chg s LEU 108 N 2.04 5.31 0.28 6.12 1.43 0.67 -0.80 118.68 133.72 2chg s LEU 108 Ca 0.12 -1.55 -0.28 0.00 -1.03 0.00 0.00 54.13 51.39 2chg s LEU 108 Cb -0.17 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 2chg s LEU 108 CO 0.12 -0.58 0.93 -0.62 0.23 0.00 0.00 176.35 176.43 2chg s ASP 109 N 2.28 7.49 -1.05 2.29 2.15 0.54 -1.03 116.67 129.35 2chg s ASP 109 Ca 0.04 1.88 -0.07 0.00 0.43 0.00 0.00 52.55 54.83 2chg s ASP 109 Cb -0.24 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 39.80 2chg s ASP 109 CO 0.02 0.05 0.92 -0.62 -0.17 0.00 0.00 175.17 175.37 2chg n GLU 110 N 1.04 -6.17 0.10 4.34 1.02 -1.03 0.63 120.64 120.58 2chg n GLU 110 Ca -0.00 0.64 0.11 0.00 -0.02 0.00 0.00 57.16 57.89 2chg n GLU 110 Cb 0.49 -5.12 0.59 0.00 -0.02 0.00 0.00 31.44 27.38 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 0.79 2.07 0.00 0.62 0.00 -1.19 -2.19 119.26 119.35 2chg h ALA 111 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2chg h ALA 111 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2chg h ALA 111 CO 0.43 -0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.15 2chg n ASP 112 N -4.48 0.00 0.15 0.00 3.85 -1.26 -2.26 116.55 112.56 2chg n ASP 112 Ca 0.03 -0.22 0.13 0.00 -0.71 0.00 0.00 54.79 54.02 2chg n ASP 112 Cb 0.25 -0.24 0.50 0.00 -1.35 0.00 0.00 41.12 40.28 2chg n ASP 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2chg h ALA 113 N 3.36 1.00 -2.39 2.12 0.00 -1.74 -3.46 119.26 118.16 2chg h ALA 113 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 2chg h ALA 113 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2chg h ALA 113 CO 0.00 0.00 0.34 -0.51 0.00 0.00 0.00 179.25 179.08 2chg s LEU 114 N -4.83 4.28 1.01 0.00 1.43 -0.96 -5.03 118.68 114.59 2chg s LEU 114 Ca 0.05 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 2chg s LEU 114 Cb 0.10 -4.09 0.20 0.00 0.03 0.00 0.00 46.19 42.42 2chg s LEU 114 CO 0.46 -0.11 1.08 0.42 0.23 0.00 0.00 176.35 178.43 2chg s THR 115 N -1.69 2.24 0.29 5.49 -4.23 -1.26 -4.76 115.64 111.72 2chg s THR 115 Ca 0.52 0.08 0.02 0.00 -1.18 0.00 0.00 61.69 61.12 2chg s THR 115 Cb -0.17 -2.38 0.12 0.00 1.34 0.00 0.00 72.50 71.41 2chg s THR 115 CO 0.22 -0.10 1.79 0.00 -0.54 0.00 0.00 174.62 175.99 2chg h ALA 116 N -2.03 1.20 -0.08 3.99 0.00 -1.97 -0.40 119.26 119.98 2chg h ALA 116 Ca -0.54 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 2chg h ALA 116 Cb 1.31 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2chg h ALA 116 CO 0.53 0.52 0.02 -0.44 0.00 0.00 0.00 179.25 179.88 2chg h ASP 117 N 0.57 0.11 -0.49 0.00 3.45 -2.00 -2.05 116.42 116.01 2chg h ASP 117 Ca 0.11 -0.20 -0.06 0.00 0.43 0.00 0.00 57.03 57.31 2chg h ASP 117 Cb 0.47 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.18 2chg h ASP 117 CO 0.02 0.29 0.10 0.00 -1.57 0.00 0.00 179.24 178.08 2chg h ALA 118 N 0.83 1.14 -0.56 3.45 0.00 -1.86 -1.42 119.26 120.85 2chg h ALA 118 Ca 0.02 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2chg h ALA 118 Cb 0.21 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2chg h ALA 118 CO -0.00 0.57 0.33 1.96 0.00 0.00 0.00 179.25 182.11 2chg h GLN 119 N 0.82 0.63 -0.23 0.00 4.20 -1.03 0.09 115.11 119.60 2chg h GLN 119 Ca 0.17 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 2chg h GLN 119 Cb 0.35 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2chg h GLN 119 CO 0.00 0.42 0.14 0.00 -0.67 0.00 0.00 178.83 178.72 2chg h ALA 120 N 1.25 0.29 -0.83 3.87 0.00 -0.79 0.37 119.26 123.42 2chg h ALA 120 Ca 0.23 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.23 2chg h ALA 120 Cb 0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 2chg h ALA 120 CO -0.11 -0.21 0.43 0.00 0.00 0.00 0.00 179.25 179.36 2chg h ALA 121 N 1.05 1.23 -0.36 0.00 0.00 -0.96 -1.15 119.26 119.07 2chg h ALA 121 Ca 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2chg h ALA 121 Cb 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2chg h ALA 121 CO -0.02 -0.05 0.19 1.25 0.00 0.00 0.00 179.25 180.62 2chg h LEU 122 N 0.65 0.46 -1.89 0.00 5.85 -0.34 -2.95 115.31 117.09 2chg h LEU 122 Ca 0.44 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 2chg h LEU 122 Cb 0.57 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 2chg h LEU 122 CO -0.33 0.43 0.02 -0.09 -0.34 0.00 0.00 178.44 178.13 2chg h ARG 123 N 0.45 0.09 -0.03 1.25 2.43 0.21 0.37 114.38 119.15 2chg h ARG 123 Ca 0.13 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 2chg h ARG 123 Cb 0.08 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2chg h ARG 123 CO -0.02 0.08 -0.39 0.00 -1.51 0.00 0.00 179.97 178.13 2chg h ARG 124 N 0.09 0.07 0.22 0.20 3.08 -1.12 -1.81 114.38 115.11 2chg h ARG 124 Ca 0.02 -0.03 -0.32 0.00 0.07 0.00 0.00 59.98 59.72 2chg h ARG 124 Cb 0.03 -0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.11 2chg h ARG 124 CO -0.00 0.45 -1.43 1.15 -1.07 0.00 0.00 179.97 179.07 2chg h THR 125 N 0.06 1.33 0.00 2.04 2.02 -0.90 -3.00 112.91 114.46 2chg h THR 125 Ca 0.00 -2.79 -0.03 0.00 0.77 0.00 0.00 66.41 64.36 2chg h THR 125 Cb 0.72 3.01 -0.00 0.00 -1.74 0.00 0.00 68.15 70.14 2chg h THR 125 CO 0.05 0.83 -0.13 0.24 0.37 0.00 0.00 175.52 176.89 2chg h MET 126 N 0.13 0.00 0.04 6.66 2.86 -0.86 -2.59 114.93 121.17 2chg h MET 126 Ca -0.23 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.29 2chg h MET 126 Cb 2.12 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.79 2chg h MET 126 CO 0.26 0.13 -0.50 0.93 1.06 0.00 0.00 176.91 178.79 2chg h GLU 127 N 0.00 0.27 -1.05 1.72 4.39 -1.40 -2.61 114.58 115.90 2chg h GLU 127 Ca -0.00 -0.34 0.27 0.00 0.34 0.00 0.00 59.36 59.63 2chg h GLU 127 Cb 0.25 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 28.90 2chg h GLU 127 CO 0.02 1.08 0.66 1.98 -1.16 0.00 0.00 179.01 181.58 2chg h MET 128 N -0.38 0.41 -0.22 2.33 4.05 -1.35 -2.85 114.93 116.91 2chg h MET 128 Ca -0.07 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 2chg h MET 128 Cb 1.28 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 2chg h MET 128 CO 0.10 0.27 0.00 0.66 0.23 0.00 0.00 176.91 178.16 2chg n TYR 129 N -4.70 0.43 0.52 1.39 4.02 -1.00 -4.75 117.16 113.07 2chg n TYR 129 Ca 0.27 -0.64 0.07 0.00 -0.01 0.00 0.00 57.90 57.58 2chg n TYR 129 Cb 0.88 -0.11 0.31 0.00 -0.02 0.00 0.00 39.34 40.40 2chg n TYR 129 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2chg n SER 130 N -0.14 0.00 -0.07 7.72 3.41 -0.98 -1.31 113.62 122.25 2chg n SER 130 Ca 0.12 0.41 -0.22 0.00 -0.26 0.00 0.00 58.87 58.92 2chg n SER 130 Cb 0.52 -0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 63.89 2chg n SER 130 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2chg n LYS 131 N -1.45 0.67 0.09 4.33 5.02 -1.26 -4.49 118.16 121.07 2chg n LYS 131 Ca 0.04 0.28 -0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2chg n LYS 131 Cb 0.15 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 2chg n LYS 131 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2chg h SER 132 N -0.27 0.00 -3.65 4.39 4.64 -1.89 -3.47 113.55 113.30 2chg h SER 132 Ca -0.49 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.40 2chg h SER 132 Cb 1.82 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.75 2chg h SER 132 CO -0.08 0.63 -0.74 0.00 -0.87 0.00 0.00 176.83 175.76 2chg s ARG 134 N -3.24 2.80 -0.14 0.00 1.81 0.20 -4.47 118.95 115.91 2chg s ARG 134 Ca 0.16 -0.88 -0.13 0.00 -1.72 0.00 0.00 55.73 53.16 2chg s ARG 134 Cb -0.02 -2.25 -0.05 0.00 -0.45 0.00 0.00 34.95 32.18 2chg s ARG 134 CO 0.04 0.30 0.28 -0.06 -0.68 0.00 0.00 175.30 175.18 2chg s PHE 135 N 0.06 3.50 -0.29 -0.53 0.40 -1.26 -1.03 117.98 118.82 2chg s PHE 135 Ca -0.10 0.62 -0.01 0.00 -0.60 0.00 0.00 56.93 56.83 2chg s PHE 135 Cb -0.16 -2.29 0.05 0.00 0.51 0.00 0.00 43.02 41.13 2chg s PHE 135 CO 0.06 0.32 -0.01 0.42 0.70 0.00 0.00 175.22 176.71 2chg s ILE 136 N 0.18 2.93 -0.07 0.64 1.01 0.07 -0.36 121.20 125.59 2chg s ILE 136 Ca 0.17 -1.36 -0.06 0.00 0.00 0.00 0.00 60.65 59.39 2chg s ILE 136 Cb -0.13 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2chg s ILE 136 CO 0.05 -0.07 0.18 -0.76 0.00 0.00 0.00 174.94 174.34 2chg s LEU 137 N 1.25 4.39 -0.04 2.97 1.43 0.41 -0.24 118.68 128.84 2chg s LEU 137 Ca -0.05 0.47 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 2chg s LEU 137 Cb -0.19 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 2chg s LEU 137 CO -0.02 0.34 -0.23 -0.55 0.23 0.00 0.00 176.35 176.12 2chg s SER 138 N -1.38 3.24 -0.00 2.29 0.15 -0.19 0.36 113.70 118.16 2chg s SER 138 Ca 0.21 -0.44 -0.19 0.00 0.70 0.00 0.00 55.95 56.23 2chg s SER 138 Cb -0.13 -0.63 0.04 0.00 -1.71 0.00 0.00 66.02 63.59 2chg s SER 138 CO 0.10 0.29 0.41 0.00 1.20 0.00 0.00 173.24 175.24 2chg h ASN 140 N 3.43 0.22 -3.55 0.00 -0.26 -1.85 -1.11 115.58 112.46 2chg h ASN 140 Ca -0.30 -0.23 -0.39 0.00 -0.56 0.00 0.00 56.30 54.82 2chg h ASN 140 Cb 1.18 -0.07 -0.33 0.00 -1.06 0.00 0.00 38.32 38.04 2chg h ASN 140 CO 0.41 1.18 -0.77 -0.31 -1.06 0.00 0.00 177.43 176.88 2chg s TYR 141 N -2.70 0.64 0.35 1.19 1.51 -1.26 -3.39 117.35 113.68 2chg s TYR 141 Ca -0.02 -0.15 0.06 0.00 -1.01 0.00 0.00 57.07 55.95 2chg s TYR 141 Cb 0.09 -0.57 0.66 0.00 -0.11 0.00 0.00 41.96 42.03 2chg s TYR 141 CO 0.85 -0.15 1.88 0.28 -1.11 0.00 0.00 175.55 177.31 2chg h VAL 142 N 5.98 1.19 0.00 0.71 2.07 -1.97 -2.49 116.25 121.74 2chg h VAL 142 Ca -0.38 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2chg h VAL 142 Cb 1.16 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2chg h VAL 142 CO 0.48 0.27 0.00 0.77 0.02 0.00 0.00 177.57 179.11 2chg h SER 143 N 0.40 0.00 -0.39 0.57 4.64 -2.02 -2.57 113.55 114.19 2chg h SER 143 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2chg h SER 143 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2chg h SER 143 CO 0.02 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.52 2chg n ARG 144 N -2.75 2.22 -5.10 4.77 3.00 -0.94 -4.84 116.66 113.02 2chg n ARG 144 Ca 0.00 -1.54 -0.32 0.00 -0.01 0.00 0.00 57.85 55.98 2chg n ARG 144 Cb 0.22 -1.45 -0.16 0.00 0.00 0.00 0.00 32.46 31.07 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 -1.56 2.33 0.41 0.55 -1.09 -0.97 -4.72 121.20 116.15 2chg s ILE 145 Ca 0.28 -0.92 -0.26 0.00 -2.23 0.00 0.00 60.65 57.52 2chg s ILE 145 Cb 0.16 -1.92 -0.09 0.00 -1.58 0.00 0.00 42.46 39.04 2chg s ILE 145 CO 0.17 0.55 1.36 0.27 -1.23 0.00 0.00 174.94 176.06 2chg s ILE 146 N 0.31 2.39 0.27 2.92 -4.36 -1.26 -4.73 121.20 116.74 2chg s ILE 146 Ca -0.16 0.36 -0.01 0.00 -0.26 0.00 0.00 60.65 60.58 2chg s ILE 146 Cb -0.17 -3.22 0.25 0.00 1.25 0.00 0.00 42.46 40.58 2chg s ILE 146 CO 0.08 0.06 1.83 -0.08 0.24 0.00 0.00 174.94 177.07 2chg h GLU 147 N 2.68 0.90 -0.31 0.37 4.22 -1.96 -0.35 114.58 120.13 2chg h GLU 147 Ca -0.50 -0.05 0.09 0.00 0.08 0.00 0.00 59.36 58.98 2chg h GLU 147 Cb 1.25 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2chg h GLU 147 CO 0.63 0.60 0.39 -1.35 -2.18 0.00 0.00 179.01 177.10 2chg h PRO 148 N 0.93 0.00 0.00 0.92 0.11 -2.00 -0.79 132.00 131.18 2chg h PRO 148 Ca 0.45 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.35 2chg h PRO 148 Cb 0.41 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 2chg h PRO 148 CO -0.25 0.00 -1.20 0.82 -0.21 0.00 0.00 178.00 177.16 2chg h ILE 149 N 0.00 0.87 -0.86 4.15 2.04 -1.45 -3.37 117.51 118.89 2chg h ILE 149 Ca 0.15 -2.11 0.22 0.00 1.00 0.00 0.00 64.86 64.12 2chg h ILE 149 Cb 0.94 2.10 -0.14 0.00 -0.74 0.00 0.00 36.82 38.98 2chg h ILE 149 CO -0.00 0.30 0.24 1.56 0.00 0.00 0.00 178.15 180.24 2chg h GLN 150 N -1.00 0.22 0.00 2.37 4.20 -1.05 -0.56 115.11 119.30 2chg h GLN 150 Ca -0.32 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2chg h GLN 150 Cb 1.25 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2chg h GLN 150 CO -0.20 0.15 0.00 0.66 -0.67 0.00 0.00 178.83 178.77 2chg h SER 151 N 0.23 0.00 0.16 1.46 4.64 -1.35 -2.47 113.55 116.22 2chg h SER 151 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2chg h SER 151 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2chg h SER 151 CO -0.63 0.00 -0.15 0.54 -0.87 0.00 0.00 176.83 175.72 2chg n ARG 152 N -3.04 1.11 -4.39 4.77 5.12 -0.23 -4.95 116.66 115.05 2chg n ARG 152 Ca 0.01 -0.62 -0.31 0.00 -1.93 0.00 0.00 57.85 55.01 2chg n ARG 152 Cb 0.35 -1.49 -0.11 0.00 -1.16 0.00 0.00 32.46 30.06 2chg n ARG 152 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2chg s ALA 154 N -1.09 3.43 -0.03 0.00 0.00 -0.30 -4.90 121.76 118.86 2chg s ALA 154 Ca 0.19 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 2chg s ALA 154 Cb -0.11 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 2chg s ALA 154 CO 0.10 -0.64 0.33 0.08 0.00 0.00 0.00 175.76 175.63 2chg s VAL 155 N 2.10 5.17 -0.06 0.00 1.01 -1.26 -1.21 120.40 126.15 2chg s VAL 155 Ca 0.49 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.12 2chg s VAL 155 Cb -0.19 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.60 2chg s VAL 155 CO 0.17 0.59 -0.05 -0.36 0.00 0.00 0.00 175.10 175.46 2chg s PHE 156 N -1.07 0.93 -0.32 5.22 0.40 -0.02 -4.95 117.98 118.18 2chg s PHE 156 Ca 0.21 -0.32 -0.10 0.00 -0.60 0.00 0.00 56.93 56.12 2chg s PHE 156 Cb -0.15 -0.84 -0.00 0.00 0.51 0.00 0.00 43.02 42.54 2chg s PHE 156 CO 0.11 -0.29 0.16 1.03 0.70 0.00 0.00 175.22 176.93 2chg s ARG 157 N 1.27 3.27 0.38 0.44 0.52 -1.26 -0.32 118.95 123.24 2chg s ARG 157 Ca -0.05 -0.77 -0.15 0.00 -0.52 0.00 0.00 55.73 54.24 2chg s ARG 157 Cb -0.14 -3.59 -0.09 0.00 0.52 0.00 0.00 34.95 31.65 2chg s ARG 157 CO -0.02 -0.46 0.80 -0.06 0.02 0.00 0.00 175.30 175.58 2chg s PHE 158 N 1.61 3.39 0.20 -0.53 0.40 0.28 -4.82 117.98 118.52 2chg s PHE 158 Ca 0.04 1.26 0.08 0.00 -0.60 0.00 0.00 56.93 57.72 2chg s PHE 158 Cb -0.17 -2.59 -0.05 0.00 0.51 0.00 0.00 43.02 40.72 2chg s PHE 158 CO 0.06 -0.03 -0.16 0.15 0.70 0.00 0.00 175.22 175.95 2chg s LYS 159 N -3.32 1.34 0.36 0.44 -0.14 -1.26 -4.49 119.74 112.67 2chg s LYS 159 Ca 0.55 -1.56 -0.27 0.00 -1.36 0.00 0.00 55.97 53.33 2chg s LYS 159 Cb -0.10 -1.21 -0.12 0.00 -1.68 0.00 0.00 37.83 34.72 2chg s LYS 159 CO 0.21 0.21 1.30 -2.30 -0.76 0.00 0.00 175.35 174.01 2chg n PRO 160 N -0.25 2.12 -2.79 -1.68 -0.02 -1.26 -4.91 135.00 126.21 2chg n PRO 160 Ca -0.09 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 2chg n PRO 160 Cb 0.60 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.12 4.87 0.49 -1.45 -7.23 -1.26 -5.01 120.40 109.69 2chg s VAL 161 Ca 0.57 1.88 -0.21 0.00 -1.81 0.00 0.00 61.98 62.41 2chg s VAL 161 Cb -0.55 -4.24 -0.07 0.00 0.56 0.00 0.00 36.38 32.08 2chg s VAL 161 CO 0.61 0.09 1.09 -2.84 -0.31 0.00 0.00 175.10 173.75 2chg s PRO 162 N 1.57 3.67 0.30 4.82 0.02 -1.26 -4.87 135.00 139.24 2chg s PRO 162 Ca 0.46 1.53 0.06 0.00 0.02 0.00 0.00 61.00 63.07 2chg s PRO 162 Cb -0.19 -2.15 0.83 0.00 0.02 0.00 0.00 34.50 33.02 2chg s PRO 162 CO 0.20 -0.57 1.44 1.17 -0.33 0.00 0.00 177.00 178.90 2chg n LYS 163 N -0.93 -0.07 -0.20 5.54 4.81 -1.26 -1.39 118.16 124.66 2chg n LYS 163 Ca 0.09 1.35 -0.09 0.00 -0.87 0.00 0.00 58.31 58.79 2chg n LYS 163 Cb 0.51 -2.20 0.02 0.00 0.02 0.00 0.00 35.03 33.37 2chg n LYS 163 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2chg h GLU 164 N 0.00 0.99 -0.61 1.64 3.07 -2.00 -1.36 114.58 116.31 2chg h GLU 164 Ca 0.61 -0.29 -0.05 0.00 -0.50 0.00 0.00 59.36 59.13 2chg h GLU 164 Cb 1.37 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 2chg h GLU 164 CO -0.82 0.96 0.18 0.00 -1.40 0.00 0.00 179.01 177.93 2chg h ALA 165 N 0.98 0.80 -0.15 3.43 0.00 -1.59 -2.11 119.26 120.62 2chg h ALA 165 Ca 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2chg h ALA 165 Cb 0.49 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2chg h ALA 165 CO 0.02 0.47 -0.07 1.98 0.00 0.00 0.00 179.25 181.66 2chg h MET 166 N 0.87 0.30 -0.43 0.00 1.85 -1.26 -1.83 114.93 114.44 2chg h MET 166 Ca 0.19 -0.13 0.07 0.00 -0.61 0.00 0.00 59.70 59.23 2chg h MET 166 Cb 0.30 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 32.26 2chg h MET 166 CO -0.00 0.63 0.04 -0.22 -0.40 0.00 0.00 176.91 176.96 2chg h LYS 167 N -0.03 0.16 -0.45 0.39 3.64 -1.23 0.36 116.57 119.41 2chg h LYS 167 Ca 0.03 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2chg h LYS 167 Cb 0.53 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2chg h LYS 167 CO 0.02 0.10 0.28 -0.22 -2.27 0.00 0.00 179.45 177.37 2chg h LYS 168 N 0.16 0.55 -0.41 1.90 3.64 -1.32 -0.58 116.57 120.52 2chg h LYS 168 Ca 0.21 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 2chg h LYS 168 Cb 0.29 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2chg h LYS 168 CO -0.31 0.37 -0.27 -0.09 -2.27 0.00 0.00 179.45 176.87 2chg h ARG 169 N 0.57 0.90 -0.93 1.90 9.65 -0.89 -1.91 114.38 123.67 2chg h ARG 169 Ca 0.17 -0.43 -0.00 0.00 -1.10 0.00 0.00 59.98 58.62 2chg h ARG 169 Cb -0.03 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.50 2chg h ARG 169 CO -0.06 1.08 0.57 -0.07 2.80 0.00 0.00 179.97 184.29 2chg h LEU 170 N 0.72 1.11 -0.78 3.80 3.38 -0.79 -1.93 115.31 120.83 2chg h LEU 170 Ca 0.08 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2chg h LEU 170 Cb 0.85 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2chg h LEU 170 CO 0.07 0.84 0.02 -0.07 0.09 0.00 0.00 178.44 179.40 2chg h LEU 171 N 1.28 0.92 -0.86 1.67 3.38 -0.97 -1.01 115.31 119.71 2chg h LEU 171 Ca 0.34 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2chg h LEU 171 Cb -0.07 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 2chg h LEU 171 CO -0.07 0.96 0.55 -0.33 0.09 0.00 0.00 178.44 179.65 2chg h GLU 172 N 0.88 1.02 -0.53 1.13 5.08 -0.81 -1.33 114.58 120.03 2chg h GLU 172 Ca 0.17 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2chg h GLU 172 Cb 0.49 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2chg h GLU 172 CO 0.02 0.68 0.01 0.82 -1.00 0.00 0.00 179.01 179.54 2chg h ILE 173 N 1.05 1.26 -0.59 3.13 2.04 -1.10 -2.37 117.51 120.94 2chg h ILE 173 Ca 0.35 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 65.21 2chg h ILE 173 Cb 0.04 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 2chg h ILE 173 CO -0.13 0.38 0.25 0.00 0.00 0.00 0.00 178.15 178.65 2chg h GLU 175 N 0.46 -0.25 -0.18 0.00 5.08 -1.02 0.16 114.58 118.82 2chg h GLU 175 Ca 0.29 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2chg h GLU 175 Cb 0.30 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2chg h GLU 175 CO -0.26 -0.17 0.12 0.87 -1.00 0.00 0.00 179.01 178.57 2chg h LYS 176 N -0.26 0.24 -0.02 2.33 1.57 -1.27 -2.72 116.57 116.44 2chg h LYS 176 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2chg h LYS 176 Cb 0.23 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2chg h LYS 176 CO 0.00 0.16 -0.25 0.39 -0.57 0.00 0.00 179.45 179.19 2chg n GLU 177 N -4.51 1.68 -2.35 3.15 -0.58 -0.67 -4.97 120.64 112.39 2chg n GLU 177 Ca -0.00 -1.36 -0.09 0.00 -0.42 0.00 0.00 57.16 55.28 2chg n GLU 177 Cb 0.08 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 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 1.38 0.06 3.70 0.62 0.00 -0.36 -5.01 105.19 105.57 2chg n GLY 178 Ca 0.12 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.61 5.10 -0.24 1.61 1.01 0.43 -5.03 120.40 120.67 2chg s VAL 179 Ca 0.06 1.16 -0.14 0.00 0.00 0.00 0.00 61.98 63.05 2chg s VAL 179 Cb -0.02 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2chg s VAL 179 CO 0.07 0.24 0.33 -0.54 0.00 0.00 0.00 175.10 175.20 2chg s LYS 180 N 1.07 4.07 -0.02 2.72 1.02 -1.26 -4.61 119.74 122.73 2chg s LYS 180 Ca 0.30 0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.34 2chg s LYS 180 Cb -0.16 -3.60 -0.00 0.00 -0.52 0.00 0.00 37.83 33.54 2chg s LYS 180 CO 0.13 -0.14 -0.12 -1.50 -0.92 0.00 0.00 175.35 172.79 2chg s ILE 181 N 1.65 1.02 0.50 2.17 2.07 -1.26 0.06 121.20 127.41 2chg s ILE 181 Ca 0.14 -0.52 -0.07 0.00 -1.41 0.00 0.00 60.65 58.79 2chg s ILE 181 Cb -0.15 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.53 2chg s ILE 181 CO 0.08 0.30 0.84 0.42 -1.91 0.00 0.00 174.94 174.67 2chg s THR 182 N -0.09 4.85 0.38 4.00 -4.23 0.09 -4.90 115.64 115.75 2chg s THR 182 Ca 0.01 0.40 0.05 0.00 -1.18 0.00 0.00 61.69 60.97 2chg s THR 182 Cb -0.07 -3.85 0.25 0.00 1.34 0.00 0.00 72.50 70.17 2chg s THR 182 CO 0.00 -0.88 2.02 -0.08 -0.54 0.00 0.00 174.62 175.15 2chg h GLU 183 N 0.23 0.63 -0.81 3.99 4.57 -1.99 0.11 114.58 121.32 2chg h GLU 183 Ca -0.46 -0.05 0.13 0.00 -1.18 0.00 0.00 59.36 57.80 2chg h GLU 183 Cb 1.20 -0.14 -0.14 0.00 -0.16 0.00 0.00 28.75 29.51 2chg h GLU 183 CO 0.62 0.44 -0.37 0.22 -1.18 0.00 0.00 179.01 178.74 2chg h ASP 184 N 0.65 -1.32 0.31 1.04 -0.00 -1.92 -1.07 116.42 114.10 2chg h ASP 184 Ca 0.17 0.27 -0.22 0.00 -0.00 0.00 0.00 57.03 57.26 2chg h ASP 184 Cb -0.03 0.68 0.00 0.00 -0.00 0.00 0.00 39.33 39.98 2chg h ASP 184 CO -0.03 -0.30 -0.89 1.23 -0.00 0.00 0.00 179.24 179.25 2chg h GLY 185 N -0.08 0.46 0.96 -0.78 0.00 -1.22 -2.88 103.07 99.53 2chg h GLY 185 Ca 0.29 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2chg h GLY 185 CO -0.85 0.68 0.16 -2.00 0.00 0.00 0.00 176.54 174.54 2chg h LEU 186 N 0.25 0.37 -0.99 3.11 6.46 -0.92 -0.06 115.31 123.52 2chg h LEU 186 Ca -0.07 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 2chg h LEU 186 Cb 1.52 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 41.31 2chg h LEU 186 CO 0.15 0.35 0.48 -0.33 -0.62 0.00 0.00 178.44 178.47 2chg h GLU 187 N 0.36 1.18 -0.47 1.25 4.39 -1.24 -1.36 114.58 118.69 2chg h GLU 187 Ca 0.10 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 2chg h GLU 187 Cb 0.06 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 2chg h GLU 187 CO -0.02 0.86 -0.05 0.00 -1.16 0.00 0.00 179.01 178.64 2chg h ALA 188 N 1.33 0.64 -0.59 3.43 0.00 -1.24 -1.75 119.26 121.08 2chg h ALA 188 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2chg h ALA 188 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2chg h ALA 188 CO -0.05 0.48 0.37 1.25 0.00 0.00 0.00 179.25 181.30 2chg h LEU 189 N 0.71 0.69 -0.76 0.00 5.85 -0.74 -0.05 115.31 121.02 2chg h LEU 189 Ca 0.13 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 2chg h LEU 189 Cb 0.57 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2chg h LEU 189 CO 0.03 0.52 0.08 0.40 -0.34 0.00 0.00 178.44 179.14 2chg h ILE 190 N 0.80 1.26 -0.24 4.05 2.04 -1.11 -1.93 117.51 122.38 2chg h ILE 190 Ca 0.21 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 2chg h ILE 190 Cb -0.06 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2chg h ILE 190 CO -0.04 0.38 0.15 0.22 0.00 0.00 0.00 178.15 178.86 2chg h TYR 191 N 0.96 0.31 -0.01 1.37 -0.00 -0.83 -2.73 116.97 116.03 2chg h TYR 191 Ca 0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.85 2chg h TYR 191 Cb 0.44 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 37.06 2chg h TYR 191 CO 0.03 0.23 -0.31 0.82 -0.00 0.00 0.00 178.16 178.93 2chg h ILE 192 N 0.30 1.23 -0.33 1.81 5.03 -0.89 -3.23 117.51 121.43 2chg h ILE 192 Ca 0.09 -1.10 -0.04 0.00 -0.12 0.00 0.00 64.86 63.69 2chg h ILE 192 Cb 0.00 1.58 -0.02 0.00 -3.03 0.00 0.00 36.82 35.35 2chg h ILE 192 CO -0.02 0.32 0.04 0.77 -0.68 0.00 0.00 178.15 178.58 2chg h SER 193 N 0.02 0.46 -1.51 1.72 4.64 -1.02 -3.46 113.55 114.39 2chg h SER 193 Ca 0.00 -0.07 -0.41 0.00 -0.47 0.00 0.00 61.79 60.84 2chg h SER 193 Cb 0.57 -0.12 -0.12 0.00 -0.31 0.00 0.00 62.40 62.42 2chg h SER 193 CO 0.04 0.50 -0.42 0.61 -0.87 0.00 0.00 176.83 176.69 2chg n GLY 194 N -1.00 1.26 1.64 -0.77 0.00 -1.22 -1.66 105.19 103.44 2chg n GLY 194 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.63 0.58 3.29 -0.02 0.00 -1.26 -5.03 105.19 102.12 2chg n GLY 195 Ca -0.21 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.04 5.40 0.20 1.61 -1.08 -0.67 -4.65 116.67 115.44 2chg s ASP 196 Ca 0.00 -1.12 -0.11 0.00 -0.52 0.00 0.00 52.55 50.80 2chg s ASP 196 Cb 0.00 -1.90 0.18 0.00 -1.46 0.00 0.00 42.92 39.74 2chg s ASP 196 CO 0.00 -0.34 1.81 -0.26 0.52 0.00 0.00 175.17 176.90 2chg h PHE 197 N 8.26 0.63 -0.04 -5.34 -1.00 -1.87 -2.43 116.94 115.15 2chg h PHE 197 Ca -0.24 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.59 2chg h PHE 197 Cb 1.09 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 40.42 2chg h PHE 197 CO 0.59 0.32 -0.12 -0.09 -1.61 0.00 0.00 178.31 177.41 2chg h ARG 198 N 0.65 -0.17 -0.70 1.51 2.43 -1.94 -0.67 114.38 115.49 2chg h ARG 198 Ca 0.26 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.51 2chg h ARG 198 Cb 0.12 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 2chg h ARG 198 CO -0.15 -0.11 0.38 -0.22 -1.51 0.00 0.00 179.97 178.36 2chg h LYS 199 N -0.18 0.67 -0.53 0.20 3.64 -1.85 -2.22 116.57 116.29 2chg h LYS 199 Ca 0.05 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2chg h LYS 199 Cb 0.25 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2chg h LYS 199 CO -0.14 0.44 0.06 0.00 -2.27 0.00 0.00 179.45 177.54 2chg h ALA 200 N 1.38 0.71 -0.26 5.00 0.00 -0.87 -1.96 119.26 123.25 2chg h ALA 200 Ca 0.32 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 2chg h ALA 200 Cb 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2chg h ALA 200 CO -0.20 0.47 -0.53 0.82 0.00 0.00 0.00 179.25 179.81 2chg h ILE 201 N 0.78 1.29 -0.41 0.00 2.04 -1.05 0.35 117.51 120.50 2chg h ILE 201 Ca 0.16 -1.72 0.01 0.00 1.00 0.00 0.00 64.86 64.31 2chg h ILE 201 Cb 0.45 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2chg h ILE 201 CO 0.02 0.55 0.26 0.78 0.00 0.00 0.00 178.15 179.76 2chg h ASN 202 N 0.56 0.44 0.01 1.72 2.35 -1.40 0.14 115.58 119.39 2chg h ASN 202 Ca 0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2chg h ASN 202 Cb 1.14 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.40 2chg h ASN 202 CO 0.12 0.32 -0.01 0.00 -1.65 0.00 0.00 177.43 176.20 2chg h ALA 203 N 1.16 -0.01 -0.45 -0.83 0.00 -1.21 -0.33 119.26 117.59 2chg h ALA 203 Ca 0.16 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2chg h ALA 203 Cb -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2chg h ALA 203 CO -0.05 -0.51 0.17 1.25 0.00 0.00 0.00 179.25 180.11 2chg h LEU 204 N -0.02 0.19 -0.23 0.00 5.85 -0.70 0.53 115.31 120.94 2chg h LEU 204 Ca 0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2chg h LEU 204 Cb 0.02 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2chg h LEU 204 CO -0.01 0.14 0.11 -0.61 -0.34 0.00 0.00 178.44 177.73 2chg h GLN 205 N 0.35 0.23 -0.13 1.25 4.15 -0.52 0.17 115.11 120.61 2chg h GLN 205 Ca 0.21 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.66 2chg h GLN 205 Cb 0.20 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 2chg h GLN 205 CO -0.21 0.15 -0.11 0.78 -1.93 0.00 0.00 178.83 177.51 2chg h GLY 206 N 0.24 -0.01 0.61 2.39 0.00 -0.41 -2.62 103.07 103.27 2chg h GLY 206 Ca 0.09 0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.64 2chg h GLY 206 CO -0.07 -0.13 0.48 0.00 0.00 0.00 0.00 176.54 176.83 2chg h ALA 207 N 0.96 1.14 0.00 3.60 0.00 0.46 -2.54 119.26 122.88 2chg h ALA 207 Ca 0.09 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2chg h ALA 207 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2chg h ALA 207 CO -0.21 0.15 -0.31 0.00 0.00 0.00 0.00 179.25 178.88 2chg h ALA 208 N 1.42 1.27 0.00 0.00 0.00 -0.33 -2.93 119.26 118.70 2chg h ALA 208 Ca 0.38 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2chg h ALA 208 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2chg h ALA 208 CO -0.21 0.39 -0.22 0.00 0.00 0.00 0.00 179.25 179.20 2chg h ALA 209 N 1.69 1.42 -0.18 0.00 0.00 -1.10 -2.82 119.26 118.27 2chg h ALA 209 Ca -0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2chg h ALA 209 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2chg h ALA 209 CO 0.04 0.28 0.13 0.82 0.00 0.00 0.00 179.25 180.52 2chg h ILE 210 N 0.00 0.98 0.00 0.00 1.08 -1.61 -3.46 117.51 114.50 2chg h ILE 210 Ca -0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 2chg h ILE 210 Cb 0.46 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 2chg h ILE 210 CO 0.03 0.02 0.00 0.61 -0.69 0.00 0.00 178.15 178.12 2chg n GLY 211 N -1.54 0.68 3.87 5.37 0.00 -1.06 -5.06 105.19 107.45 2chg n GLY 211 Ca 0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2chg n GLY 211 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2chg s GLU 212 N -0.39 2.31 0.08 1.61 -1.05 -1.26 -5.08 118.70 114.91 2chg s GLU 212 Ca 0.00 -1.89 -0.31 0.00 -0.15 0.00 0.00 54.97 52.62 2chg s GLU 212 Cb 0.00 -2.14 -0.08 0.00 -0.44 0.00 0.00 34.13 31.47 2chg s GLU 212 CO 0.00 -0.46 1.51 0.08 0.95 0.00 0.00 175.26 177.34 2chg s VAL 213 N -2.69 3.21 -0.45 1.83 1.01 -1.26 -4.71 120.40 117.34 2chg s VAL 213 Ca 0.38 0.75 -0.28 0.00 0.00 0.00 0.00 61.98 62.83 2chg s VAL 213 Cb -0.02 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2chg s VAL 213 CO 0.23 0.02 1.10 -0.69 0.00 0.00 0.00 175.10 175.76 2chg s VAL 214 N 1.95 4.29 0.05 2.92 1.01 0.11 -4.95 120.40 125.78 2chg s VAL 214 Ca 0.68 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.91 2chg s VAL 214 Cb -0.37 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.46 2chg s VAL 214 CO 0.30 -0.90 0.01 -0.90 0.00 0.00 0.00 175.10 173.62 2chg n ASP 215 N 7.59 1.74 -0.30 3.32 5.68 -1.26 -0.73 116.55 132.59 2chg n ASP 215 Ca 0.11 -1.19 -0.04 0.00 -0.50 0.00 0.00 54.79 53.17 2chg n ASP 215 Cb 0.49 0.02 0.08 0.00 -1.14 0.00 0.00 41.12 40.56 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 0.91 1.04 -0.81 2.12 0.00 -1.85 -2.41 119.26 118.26 2chg h ALA 216 Ca -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2chg h ALA 216 Cb 0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2chg h ALA 216 CO 0.06 0.45 0.45 -0.44 0.00 0.00 0.00 179.25 179.77 2chg h ASP 217 N 1.11 1.01 -0.05 0.00 3.32 -1.96 -0.40 116.42 119.46 2chg h ASP 217 Ca 0.30 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 2chg h ASP 217 Cb -0.13 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.15 2chg h ASP 217 CO -0.06 0.82 -0.23 0.00 -1.72 0.00 0.00 179.24 178.05 2chg h THR 218 N 1.13 1.25 0.01 0.35 1.03 -1.83 0.81 112.91 115.66 2chg h THR 218 Ca 0.29 -1.20 -0.00 0.00 -0.01 0.00 0.00 66.41 65.49 2chg h THR 218 Cb 0.03 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 68.43 2chg h THR 218 CO -0.05 0.38 -0.00 0.40 -0.01 0.00 0.00 175.52 176.24 2chg h ILE 219 N 0.40 1.24 -0.35 0.00 1.08 -0.95 -1.96 117.51 116.97 2chg h ILE 219 Ca 0.06 -0.73 -0.02 0.00 -0.39 0.00 0.00 64.86 63.78 2chg h ILE 219 Cb 0.62 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 36.08 2chg h ILE 219 CO 0.04 0.19 0.11 1.88 -0.69 0.00 0.00 178.15 179.68 2chg h TYR 220 N -0.32 0.50 0.20 1.37 0.05 -0.93 -2.67 116.97 115.17 2chg h TYR 220 Ca -0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 2chg h TYR 220 Cb 0.31 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2chg h TYR 220 CO 0.03 0.42 -0.10 0.37 -1.05 0.00 0.00 178.16 177.84 2chg h GLN 221 N 0.50 -0.26 0.00 4.88 4.15 -0.67 -2.19 115.11 121.52 2chg h GLN 221 Ca 0.12 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2chg h GLN 221 Cb 0.15 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 2chg h GLN 221 CO -0.01 -0.17 -0.08 0.82 -1.93 0.00 0.00 178.83 177.46 2chg h ILE 222 N -0.28 0.68 0.00 2.39 1.08 -1.19 -2.31 117.51 117.88 2chg h ILE 222 Ca -0.03 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 2chg h ILE 222 Cb 0.21 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 2chg h ILE 222 CO 0.05 0.08 -0.80 0.00 -0.69 0.00 0.00 178.15 176.79 2chg h THR 223 N 0.00 0.00 -0.01 -0.27 1.03 -1.31 -3.50 112.91 108.85 2chg h THR 223 Ca -0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 66.41 65.77 2chg h THR 223 Cb 0.19 1.14 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 2chg h THR 223 CO 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.52