#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mat s ILE 3 N 0.00 4.82 0.11 0.00 1.01 -1.26 -4.56 121.20 121.32 2mat s ILE 3 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.82 2mat s ILE 3 Cb 0.00 -4.16 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 2mat s ILE 3 CO 0.00 -0.46 1.13 -0.94 0.00 0.00 0.00 174.94 174.67 2mat s SER 4 N 1.90 7.19 -0.21 3.58 1.04 -1.26 -5.03 113.70 120.91 2mat s SER 4 Ca 0.25 2.02 -0.07 0.00 0.48 0.00 0.00 55.95 58.63 2mat s SER 4 Cb -0.14 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2mat s SER 4 CO 0.17 -0.34 0.06 -0.63 0.98 0.00 0.00 173.24 173.49 2mat s ILE 5 N 0.47 4.55 0.31 -1.02 -1.09 -1.26 -4.57 121.20 118.60 2mat s ILE 5 Ca 0.54 -0.11 -0.20 0.00 -2.23 0.00 0.00 60.65 58.66 2mat s ILE 5 Cb -0.29 -3.08 -0.09 0.00 -1.58 0.00 0.00 42.46 37.42 2mat s ILE 5 CO 0.32 0.40 0.81 -0.54 -1.23 0.00 0.00 174.94 174.70 2mat s LYS 6 N 0.95 4.24 0.71 2.79 3.01 -0.35 -5.01 119.74 126.07 2mat s LYS 6 Ca 0.04 0.94 -0.05 0.00 -1.01 0.00 0.00 55.97 55.89 2mat s LYS 6 Cb -0.14 -2.59 0.08 0.00 -1.01 0.00 0.00 37.83 34.17 2mat s LYS 6 CO 0.03 0.22 1.01 -0.08 0.51 0.00 0.00 175.35 177.03 2mat s THR 7 N -1.81 2.28 0.41 2.17 -1.32 -1.26 -4.77 115.64 111.34 2mat s THR 7 Ca 0.51 -0.35 0.09 0.00 -1.21 0.00 0.00 61.69 60.73 2mat s THR 7 Cb -0.14 -2.93 0.22 0.00 -1.51 0.00 0.00 72.50 68.14 2mat s THR 7 CO 0.19 0.00 2.00 -0.65 -2.21 0.00 0.00 174.62 173.95 2mat h PRO 8 N -0.60 0.36 -0.33 7.08 0.11 -1.99 -0.36 132.00 136.28 2mat h PRO 8 Ca -0.43 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2mat h PRO 8 Cb 1.30 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2mat h PRO 8 CO 0.54 0.34 -0.43 0.93 -0.21 0.00 0.00 178.00 179.16 2mat h GLU 9 N 0.36 0.85 -0.29 1.05 3.07 -2.00 -1.91 114.58 115.71 2mat h GLU 9 Ca 0.09 -0.47 -0.01 0.00 -0.50 0.00 0.00 59.36 58.47 2mat h GLU 9 Cb 0.14 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2mat h GLU 9 CO -0.00 1.11 0.15 -0.44 -1.40 0.00 0.00 179.01 178.42 2mat h ASP 10 N 0.69 0.37 -0.49 1.42 3.32 -1.66 -2.74 116.42 117.33 2mat h ASP 10 Ca 0.05 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2mat h ASP 10 Cb 1.01 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 2mat h ASP 10 CO 0.10 0.37 0.30 0.40 -1.72 0.00 0.00 179.24 178.70 2mat h ILE 11 N 0.34 1.15 -0.74 0.35 5.03 -0.96 -1.30 117.51 121.38 2mat h ILE 11 Ca 0.10 -0.33 -0.02 0.00 -0.12 0.00 0.00 64.86 64.49 2mat h ILE 11 Cb 0.09 0.44 -0.03 0.00 -3.03 0.00 0.00 36.82 34.29 2mat h ILE 11 CO -0.01 0.15 0.37 -0.08 -0.68 0.00 0.00 178.15 177.90 2mat h GLU 12 N 0.70 1.06 -0.08 2.37 4.22 -1.05 -1.09 114.58 120.71 2mat h GLU 12 Ca 0.18 -0.15 -0.12 0.00 0.08 0.00 0.00 59.36 59.36 2mat h GLU 12 Cb -0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2mat h GLU 12 CO -0.03 0.81 -0.49 0.87 -2.18 0.00 0.00 179.01 177.99 2mat h LYS 13 N 1.03 0.20 -0.10 1.92 1.57 -1.25 -2.79 116.57 117.15 2mat h LYS 13 Ca 0.26 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 2mat h LYS 13 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2mat h LYS 13 CO -0.04 0.65 -0.49 0.52 -0.57 0.00 0.00 179.45 179.53 2mat h MET 14 N 0.16 0.25 -0.49 3.15 2.86 -0.73 -2.07 114.93 118.06 2mat h MET 14 Ca 0.01 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 2mat h MET 14 Cb 0.93 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 2mat h MET 14 CO 0.07 0.69 0.05 0.00 1.06 0.00 0.00 176.91 178.78 2mat h ARG 15 N 0.20 0.78 -0.02 1.72 3.08 -0.97 0.46 114.38 119.62 2mat h ARG 15 Ca 0.01 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2mat h ARG 15 Cb 0.94 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 2mat h ARG 15 CO 0.08 0.75 -0.03 0.28 -1.07 0.00 0.00 179.97 179.98 2mat h VAL 16 N 0.74 1.41 -0.40 2.04 2.07 -1.23 -2.35 116.25 118.53 2mat h VAL 16 Ca 0.15 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 2mat h VAL 16 Cb 0.38 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2mat h VAL 16 CO 0.01 0.33 0.17 0.00 0.02 0.00 0.00 177.57 178.10 2mat h ALA 17 N 0.49 1.55 -0.46 1.67 0.00 -1.32 -1.57 119.26 119.62 2mat h ALA 17 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2mat h ALA 17 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2mat h ALA 17 CO 0.01 0.35 -0.19 0.78 0.00 0.00 0.00 179.25 180.20 2mat h GLY 18 N 0.70 1.01 1.59 0.00 0.00 -0.89 -1.69 103.07 103.79 2mat h GLY 18 Ca 0.14 -0.89 -0.17 0.00 0.00 0.00 0.00 47.33 46.40 2mat h GLY 18 CO -0.02 0.81 -0.67 -0.09 0.00 0.00 0.00 176.54 176.58 2mat h ARG 19 N 0.78 0.42 -0.15 4.80 9.65 -1.09 -1.93 114.38 126.85 2mat h ARG 19 Ca 0.11 -0.31 -0.00 0.00 -1.10 0.00 0.00 59.98 58.67 2mat h ARG 19 Cb 0.76 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.39 2mat h ARG 19 CO 0.06 0.94 0.09 -0.07 2.80 0.00 0.00 179.97 183.79 2mat h LEU 20 N 0.30 0.18 -0.57 3.80 3.38 -1.17 0.63 115.31 121.86 2mat h LEU 20 Ca -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2mat h LEU 20 Cb 1.23 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2mat h LEU 20 CO 0.12 0.18 0.32 0.00 0.09 0.00 0.00 178.44 179.15 2mat h ALA 21 N 1.01 0.73 -0.87 1.53 0.00 -1.23 -2.44 119.26 117.98 2mat h ALA 21 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2mat h ALA 21 Cb 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2mat h ALA 21 CO -0.01 0.23 0.50 0.00 0.00 0.00 0.00 179.25 179.97 2mat h ALA 22 N 1.15 1.24 -0.35 0.00 0.00 -0.93 -2.70 119.26 117.66 2mat h ALA 22 Ca 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2mat h ALA 22 Cb 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2mat h ALA 22 CO -0.03 0.63 0.14 1.49 0.00 0.00 0.00 179.25 181.48 2mat h GLU 23 N 1.21 0.50 -0.75 0.00 4.81 -0.41 -1.21 114.58 118.73 2mat h GLU 23 Ca 0.31 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2mat h GLU 23 Cb -0.01 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 2mat h GLU 23 CO -0.05 0.42 0.45 0.28 -0.73 0.00 0.00 179.01 179.37 2mat h VAL 24 N 0.50 1.21 -0.14 0.32 2.07 -1.18 0.75 116.25 119.78 2mat h VAL 24 Ca 0.12 -0.46 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 2mat h VAL 24 Cb 0.11 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2mat h VAL 24 CO -0.01 0.22 -0.54 -0.07 0.02 0.00 0.00 177.57 177.18 2mat h LEU 25 N 1.03 0.45 -0.23 2.57 3.38 -1.33 -1.76 115.31 119.42 2mat h LEU 25 Ca 0.27 -0.24 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 2mat h LEU 25 Cb -0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2mat h LEU 25 CO -0.05 0.91 -0.44 -0.33 0.09 0.00 0.00 178.44 178.62 2mat h GLU 26 N 0.31 0.70 -0.62 1.13 5.08 -0.47 -3.25 114.58 117.46 2mat h GLU 26 Ca 0.01 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2mat h GLU 26 Cb 1.06 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2mat h GLU 26 CO 0.09 1.07 0.38 1.98 -1.00 0.00 0.00 179.01 181.54 2mat h MET 27 N 0.41 0.83 0.00 2.33 4.05 -0.76 -3.20 114.93 118.59 2mat h MET 27 Ca 0.01 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.33 2mat h MET 27 Cb 1.05 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.66 2mat h MET 27 CO 0.10 0.59 -0.16 0.97 0.23 0.00 0.00 176.91 178.63 2mat h ILE 28 N 0.84 0.37 -0.94 1.77 6.09 -1.35 -3.37 117.51 120.90 2mat h ILE 28 Ca 0.22 -1.03 0.12 0.00 -1.37 0.00 0.00 64.86 62.81 2mat h ILE 28 Cb -0.04 1.77 -0.14 0.00 0.47 0.00 0.00 36.82 38.89 2mat h ILE 28 CO -0.04 0.16 -0.44 1.21 -3.07 0.00 0.00 178.15 175.96 2mat n GLU 29 N -3.27 -0.30 0.32 2.19 2.13 -1.21 -0.05 120.64 120.46 2mat n GLU 29 Ca 0.01 1.44 0.20 0.00 0.66 0.00 0.00 57.16 59.47 2mat n GLU 29 Cb 0.43 -2.13 1.04 0.00 0.27 0.00 0.00 31.44 31.04 2mat n GLU 29 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 2mat h PRO 30 N 0.00 0.00 -0.01 5.31 0.11 -1.84 -1.14 132.00 134.43 2mat h PRO 30 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 2mat h PRO 30 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2mat h PRO 30 CO -0.92 0.00 -0.27 0.66 -0.21 0.00 0.00 178.00 177.26 2mat n TYR 31 N -3.14 0.00 -2.75 0.65 4.01 0.93 -4.70 117.16 112.16 2mat n TYR 31 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 2mat n TYR 31 Cb 0.20 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 2mat n TYR 31 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2mat s VAL 32 N -2.60 4.24 0.15 -0.72 1.01 -0.43 -4.87 120.40 117.18 2mat s VAL 32 Ca 0.22 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 2mat s VAL 32 Cb 0.19 -4.85 -0.01 0.00 0.00 0.00 0.00 36.38 31.71 2mat s VAL 32 CO 0.54 -1.66 0.23 -1.59 0.00 0.00 0.00 175.10 172.62 2mat s LYS 33 N 4.16 1.07 0.36 2.72 -2.85 -1.26 -4.75 119.74 119.19 2mat s LYS 33 Ca 0.33 -1.19 -0.28 0.00 -1.00 0.00 0.00 55.97 53.83 2mat s LYS 33 Cb -0.08 0.35 -0.12 0.00 -2.06 0.00 0.00 37.83 35.93 2mat s LYS 33 CO 0.00 -0.37 1.41 -2.30 0.10 0.00 0.00 175.35 174.18 2mat n PRO 34 N -0.17 2.43 0.00 1.78 -0.02 -1.26 -2.27 135.00 135.49 2mat n PRO 34 Ca -0.08 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2mat n PRO 34 Cb 0.63 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2mat n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2mat n GLY 35 N 0.67 1.61 3.86 -1.23 0.00 0.16 -4.98 105.19 105.28 2mat n GLY 35 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2mat n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2mat s VAL 36 N -2.34 4.76 0.33 1.61 -7.23 -0.96 -4.77 120.40 111.81 2mat s VAL 36 Ca 0.00 0.74 -0.00 0.00 -1.81 0.00 0.00 61.98 60.91 2mat s VAL 36 Cb 0.00 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 2mat s VAL 36 CO 0.00 -0.29 0.54 -0.94 -0.31 0.00 0.00 175.10 174.09 2mat s SER 37 N -2.63 6.32 0.42 4.85 1.04 -1.26 -0.91 113.70 121.52 2mat s SER 37 Ca 0.52 0.47 0.22 0.00 0.48 0.00 0.00 55.95 57.64 2mat s SER 37 Cb -0.10 -2.04 0.82 0.00 0.10 0.00 0.00 66.02 64.80 2mat s SER 37 CO 0.23 -0.27 1.79 0.71 0.98 0.00 0.00 173.24 176.68 2mat h THR 38 N 0.87 0.66 -0.42 2.02 1.35 -1.13 -2.77 112.91 113.50 2mat h THR 38 Ca -0.49 -1.26 -0.11 0.00 -0.55 0.00 0.00 66.41 64.00 2mat h THR 38 Cb 1.21 1.83 -0.02 0.00 -1.73 0.00 0.00 68.15 69.44 2mat h THR 38 CO 0.62 0.27 -0.18 1.23 -0.25 0.00 0.00 175.52 177.22 2mat h GLY 39 N 2.09 0.86 1.03 5.82 0.00 -1.44 -1.48 103.07 109.96 2mat h GLY 39 Ca -0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.52 2mat h GLY 39 CO 0.04 0.64 -0.11 0.83 0.00 0.00 0.00 176.54 177.94 2mat h GLU 40 N 0.70 0.87 -0.84 4.80 5.08 -1.78 -1.66 114.58 121.76 2mat h GLU 40 Ca 0.11 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2mat h GLU 40 Cb 0.68 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 2mat h GLU 40 CO 0.05 0.97 0.54 -0.07 -1.00 0.00 0.00 179.01 179.50 2mat h LEU 41 N 0.71 0.90 -0.55 1.33 3.38 -1.29 -0.55 115.31 119.24 2mat h LEU 41 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2mat h LEU 41 Cb 0.65 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2mat h LEU 41 CO 0.04 0.63 0.27 -0.78 0.09 0.00 0.00 178.44 178.69 2mat h ASP 42 N 1.06 0.72 -0.65 -0.43 3.58 -1.06 -0.84 116.42 118.80 2mat h ASP 42 Ca 0.33 -0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.59 2mat h ASP 42 Cb -0.01 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 2mat h ASP 42 CO -0.11 0.65 0.14 0.03 -2.88 0.00 0.00 179.24 177.07 2mat h ARG 43 N 0.75 1.05 -0.48 0.28 3.08 -0.73 -1.25 114.38 117.08 2mat h ARG 43 Ca 0.19 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2mat h ARG 43 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2mat h ARG 43 CO -0.02 0.95 0.23 0.82 -1.07 0.00 0.00 179.97 180.87 2mat h ILE 44 N 0.97 1.19 0.23 2.04 2.04 -0.85 -1.46 117.51 121.67 2mat h ILE 44 Ca 0.20 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 2mat h ILE 44 Cb 0.38 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2mat h ILE 44 CO 0.01 0.21 -0.16 0.00 0.00 0.00 0.00 178.15 178.21 2mat h ASN 46 N -0.39 0.79 -0.58 0.00 -0.73 -1.12 0.08 115.58 113.63 2mat h ASN 46 Ca -0.02 0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.18 2mat h ASN 46 Cb 0.33 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 2mat h ASN 46 CO 0.01 0.44 0.28 0.44 -0.37 0.00 0.00 177.43 178.22 2mat h ASP 47 N 0.89 0.77 0.16 1.15 3.32 -1.13 -1.56 116.42 120.02 2mat h ASP 47 Ca 0.44 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 2mat h ASP 47 Cb 0.40 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2mat h ASP 47 CO -0.25 0.69 -0.08 0.22 -1.72 0.00 0.00 179.24 178.10 2mat h TYR 48 N 0.80 -0.20 -0.31 4.55 3.20 -0.70 0.38 116.97 124.70 2mat h TYR 48 Ca 0.20 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.13 2mat h TYR 48 Cb 0.13 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 2mat h TYR 48 CO -0.00 0.02 -0.09 0.82 -1.64 0.00 0.00 178.16 177.27 2mat h ILE 49 N -0.39 0.67 0.01 1.81 2.04 -0.91 -0.55 117.51 120.20 2mat h ILE 49 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 2mat h ILE 49 Cb 0.30 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2mat h ILE 49 CO 0.04 0.00 -0.22 0.58 0.00 0.00 0.00 178.15 178.55 2mat h VAL 50 N -0.01 1.61 0.12 1.67 2.07 -1.25 0.67 116.25 121.13 2mat h VAL 50 Ca 0.15 -2.09 -0.30 0.00 0.82 0.00 0.00 66.70 65.28 2mat h VAL 50 Cb 0.24 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 2mat h VAL 50 CO -0.32 0.56 -1.52 0.78 0.02 0.00 0.00 177.57 177.08 2mat h ASN 51 N -0.65 0.39 0.00 0.57 2.35 -0.26 -3.10 115.58 114.88 2mat h ASN 51 Ca -0.03 -0.54 -0.27 0.00 -0.55 0.00 0.00 56.30 54.91 2mat h ASN 51 Cb 1.04 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 39.24 2mat h ASN 51 CO 0.04 1.45 -1.68 -0.62 -1.65 0.00 0.00 177.43 174.96 2mat n GLU 52 N -3.45 0.56 0.24 0.81 -0.58 -0.35 -4.46 120.64 113.40 2mat n GLU 52 Ca -0.16 0.38 0.12 0.00 -0.42 0.00 0.00 57.16 57.08 2mat n GLU 52 Cb 1.04 -1.59 0.51 0.00 -0.57 0.00 0.00 31.44 30.83 2mat n GLU 52 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2mat h GLN 53 N -1.00 0.00 -4.34 3.49 4.20 -1.20 -3.47 115.11 112.79 2mat h GLN 53 Ca -0.41 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 57.95 2mat h GLN 53 Cb 1.30 0.00 0.07 0.00 0.30 0.00 0.00 27.48 29.15 2mat h GLN 53 CO -0.25 0.15 -0.55 0.72 -0.67 0.00 0.00 178.83 178.24 2mat n HIS 54 N -3.29 -1.97 -3.16 2.96 8.25 -0.74 -4.98 115.22 112.29 2mat n HIS 54 Ca 0.00 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 2mat n HIS 54 Cb 0.40 -4.22 0.00 0.00 1.12 0.00 0.00 29.99 27.29 2mat n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2mat n ALA 55 N -3.74 0.00 -3.12 -1.41 0.00 0.15 -5.00 120.51 107.39 2mat n ALA 55 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 2mat n ALA 55 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 2mat n ALA 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2mat s VAL 56 N 0.69 0.06 0.04 0.00 1.01 -0.91 -4.12 120.40 117.18 2mat s VAL 56 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 2mat s VAL 56 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 2mat s VAL 56 CO 0.00 -0.27 1.00 -0.55 0.00 0.00 0.00 175.10 175.28 2mat s SER 57 N -1.01 7.37 0.33 3.32 0.15 -1.26 -0.29 113.70 122.31 2mat s SER 57 Ca -0.11 1.75 0.25 0.00 0.70 0.00 0.00 55.95 58.55 2mat s SER 57 Cb -0.06 -2.58 0.72 0.00 -1.71 0.00 0.00 66.02 62.39 2mat s SER 57 CO 0.02 -0.23 1.73 0.00 1.20 0.00 0.00 173.24 175.96 2mat h ALA 58 N 6.39 1.00 0.07 5.45 0.00 -1.35 -3.31 119.26 127.50 2mat h ALA 58 Ca -0.42 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.24 2mat h ALA 58 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2mat h ALA 58 CO 0.75 0.00 -1.09 0.00 0.00 0.00 0.00 179.25 178.91 2mat n LEU 60 N -3.64 2.93 0.00 0.00 7.94 -1.10 -1.18 117.00 121.95 2mat n LEU 60 Ca -0.07 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 2mat n LEU 60 Cb 0.93 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 43.42 2mat n LEU 60 CO 0.52 -0.65 0.00 0.61 -1.11 0.00 0.00 177.39 176.76 2mat n GLY 61 N 5.93 1.46 3.62 -3.96 0.00 0.31 -4.94 105.19 107.61 2mat n GLY 61 Ca 0.33 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.92 2mat n GLY 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2mat s TYR 62 N -3.31 2.11 -1.92 1.61 5.04 -0.32 -1.36 117.35 119.20 2mat s TYR 62 Ca 0.00 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 2mat s TYR 62 Cb 0.00 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.28 2mat s TYR 62 CO 0.00 -2.80 0.00 0.72 -1.34 0.00 0.00 175.55 172.13 2mat n HIS 63 N 8.74 0.00 -0.33 4.97 8.25 -1.26 -1.33 115.22 134.25 2mat n HIS 63 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2mat n HIS 63 Cb 0.46 -3.26 0.00 0.00 1.12 0.00 0.00 29.99 28.31 2mat n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2mat n GLY 64 N -0.29 0.78 3.71 -1.41 0.00 -0.46 -5.02 105.19 102.49 2mat n GLY 64 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2mat n GLY 64 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2mat s TYR 65 N -2.23 2.61 -0.95 1.61 5.04 -0.44 -4.71 117.35 118.28 2mat s TYR 65 Ca 0.00 0.23 0.28 0.00 -2.44 0.00 0.00 57.07 55.14 2mat s TYR 65 Cb 0.00 -4.13 1.03 0.00 0.35 0.00 0.00 41.96 39.22 2mat s TYR 65 CO 0.00 -4.42 1.80 -0.35 -1.34 0.00 0.00 175.55 171.25 2mat n PRO 66 N 4.71 0.05 -4.50 4.97 -0.04 -1.26 0.11 135.00 139.04 2mat n PRO 66 Ca 0.16 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.37 2mat n PRO 66 Cb 0.37 -1.55 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 2mat n PRO 66 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2mat n LYS 67 N -1.62 0.73 0.03 0.54 4.76 -1.26 -4.85 118.16 116.48 2mat n LYS 67 Ca 0.06 -3.50 -0.05 0.00 -2.87 0.00 0.00 58.31 51.95 2mat n LYS 67 Cb 0.36 1.28 -0.10 0.00 -1.84 0.00 0.00 35.03 34.72 2mat n LYS 67 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2mat h SER 68 N 1.33 0.00 -5.11 4.39 0.02 -1.91 -2.92 113.55 109.35 2mat h SER 68 Ca -0.37 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.28 2mat h SER 68 Cb 1.22 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.61 2mat h SER 68 CO 0.61 0.84 -0.61 0.68 -1.14 0.00 0.00 176.83 177.20 2mat s VAL 69 N -2.75 0.24 -0.17 2.27 -7.23 -1.26 -4.40 120.40 107.10 2mat s VAL 69 Ca -0.02 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.12 2mat s VAL 69 Cb 0.09 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 2mat s VAL 69 CO 0.81 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 175.56 2mat s ILE 71 N 0.72 1.77 -0.18 0.00 1.01 -0.19 -1.02 121.20 123.31 2mat s ILE 71 Ca -0.02 -1.11 -0.00 0.00 0.00 0.00 0.00 60.65 59.52 2mat s ILE 71 Cb -0.15 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.51 2mat s ILE 71 CO 0.02 0.17 -0.15 -0.44 0.00 0.00 0.00 174.94 174.54 2mat s SER 72 N 1.34 3.53 -0.14 3.58 0.01 -0.09 -3.93 113.70 118.00 2mat s SER 72 Ca -0.02 -0.55 -0.07 0.00 1.31 0.00 0.00 55.95 56.62 2mat s SER 72 Cb -0.17 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 2mat s SER 72 CO -0.08 0.01 0.11 -0.63 0.41 0.00 0.00 173.24 173.06 2mat s ILE 73 N 1.24 5.20 0.00 1.44 1.01 -1.26 -1.20 121.20 127.63 2mat s ILE 73 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2mat s ILE 73 Cb -0.14 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.04 2mat s ILE 73 CO -0.08 0.56 0.00 0.59 0.00 0.00 0.00 174.94 176.01 2mat n ASN 74 N 2.53 0.00 0.07 3.58 3.02 -0.34 -1.21 115.26 122.92 2mat n ASN 74 Ca -0.18 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.45 2mat n ASN 74 Cb 0.54 0.00 0.37 0.00 -0.61 0.00 0.00 39.78 40.08 2mat n ASN 74 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2mat n GLU 75 N 3.79 0.09 -2.35 3.52 0.00 -1.26 -2.06 120.64 122.37 2mat n GLU 75 Ca 0.00 0.41 -0.42 0.00 0.00 0.00 0.00 57.16 57.15 2mat n GLU 75 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 31.44 29.70 2mat n GLU 75 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2mat s VAL 76 N -3.20 3.94 -0.09 3.84 1.01 -0.35 -2.01 120.40 123.54 2mat s VAL 76 Ca 0.03 1.33 -0.20 0.00 0.00 0.00 0.00 61.98 63.15 2mat s VAL 76 Cb 0.07 -3.85 -0.16 0.00 0.00 0.00 0.00 36.38 32.44 2mat s VAL 76 CO 0.26 0.03 0.69 0.58 0.00 0.00 0.00 175.10 176.66 2mat h VAL 77 N 4.80 1.02 -2.88 2.92 2.07 0.35 -3.40 116.25 121.12 2mat h VAL 77 Ca -0.38 -1.50 0.08 0.00 0.82 0.00 0.00 66.70 65.72 2mat h VAL 77 Cb 1.18 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 2mat h VAL 77 CO 0.87 0.31 0.27 0.00 0.02 0.00 0.00 177.57 179.04 2mat n HIS 79 N -0.45 0.00 -1.72 0.00 8.25 -1.26 -2.09 115.22 117.94 2mat n HIS 79 Ca -0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.98 2mat n HIS 79 Cb 0.60 -2.14 -0.02 0.00 1.12 0.00 0.00 29.99 29.55 2mat n HIS 79 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2mat n GLY 80 N -1.17 1.17 3.68 -1.41 0.00 -1.25 -4.05 105.19 102.15 2mat n GLY 80 Ca -0.10 0.48 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 2mat n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2mat s ILE 81 N 0.03 5.02 0.61 -0.61 1.01 -1.26 -1.02 121.20 124.98 2mat s ILE 81 Ca 0.66 1.28 -0.19 0.00 0.00 0.00 0.00 60.65 62.39 2mat s ILE 81 Cb -0.54 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 2mat s ILE 81 CO 0.48 0.14 1.22 -2.65 0.00 0.00 0.00 174.94 174.13 2mat n PRO 82 N 4.72 1.20 -3.61 2.79 -0.02 -1.26 -4.90 135.00 133.92 2mat n PRO 82 Ca -0.01 0.46 -0.14 0.00 -2.02 0.00 0.00 63.50 61.79 2mat n PRO 82 Cb 0.50 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 2mat n PRO 82 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2mat s ASP 83 N -1.22 -0.70 0.58 2.55 -1.08 -1.26 -4.69 116.67 110.84 2mat s ASP 83 Ca 0.78 1.27 0.33 0.00 -0.52 0.00 0.00 52.55 54.41 2mat s ASP 83 Cb -0.40 1.26 1.76 0.00 -1.46 0.00 0.00 42.92 44.07 2mat s ASP 83 CO 0.44 -0.29 2.17 0.44 0.52 0.00 0.00 175.17 178.45 2mat h ASP 84 N 4.59 0.00 0.72 -0.34 3.32 -1.91 -0.89 116.42 121.91 2mat h ASP 84 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2mat h ASP 84 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2mat h ASP 84 CO 0.11 0.05 -0.65 0.00 -1.72 0.00 0.00 179.24 177.03 2mat n ALA 85 N -2.22 3.13 -2.81 3.45 0.00 -1.26 -4.76 120.51 116.04 2mat n ALA 85 Ca -0.02 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 2mat n ALA 85 Cb 0.17 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 2mat n ALA 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2mat s LYS 86 N -3.13 3.16 -0.05 0.00 2.47 -0.92 -5.03 119.74 116.23 2mat s LYS 86 Ca 0.07 -0.73 -0.03 0.00 -1.56 0.00 0.00 55.97 53.72 2mat s LYS 86 Cb 0.14 -4.18 -0.04 0.00 -1.46 0.00 0.00 37.83 32.30 2mat s LYS 86 CO 0.73 -1.67 0.12 -0.51 0.16 0.00 0.00 175.35 174.17 2mat s LEU 87 N 3.84 4.13 0.33 5.43 1.02 -1.26 -1.27 118.68 130.90 2mat s LEU 87 Ca 0.23 0.30 -0.26 0.00 0.02 0.00 0.00 54.13 54.42 2mat s LEU 87 Cb -0.16 -2.25 -0.10 0.00 0.02 0.00 0.00 46.19 43.70 2mat s LEU 87 CO 0.12 0.32 0.94 -0.76 0.02 0.00 0.00 176.35 177.00 2mat s LEU 88 N -1.48 4.32 0.26 1.79 1.43 -0.09 -4.90 118.68 120.01 2mat s LEU 88 Ca 0.21 1.83 0.07 0.00 -1.03 0.00 0.00 54.13 55.20 2mat s LEU 88 Cb -0.12 -4.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 2mat s LEU 88 CO 0.11 -0.08 -0.08 -0.54 0.23 0.00 0.00 176.35 175.98 2mat s LYS 89 N -2.11 1.49 0.29 1.70 3.01 -1.26 -0.66 119.74 122.20 2mat s LYS 89 Ca 0.51 -1.73 -0.30 0.00 -1.01 0.00 0.00 55.97 53.44 2mat s LYS 89 Cb -0.18 -1.15 -0.12 0.00 -1.01 0.00 0.00 37.83 35.37 2mat s LYS 89 CO 0.23 0.08 1.53 -3.47 0.51 0.00 0.00 175.35 174.23 2mat n ASP 90 N -0.53 3.55 0.00 2.83 2.03 -1.26 -1.96 116.55 121.21 2mat n ASP 90 Ca -0.06 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.41 2mat n ASP 90 Cb 0.62 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 2mat n ASP 90 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2mat n GLY 91 N 1.88 2.08 3.75 0.27 0.00 0.78 -4.91 105.19 109.03 2mat n GLY 91 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2mat n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2mat s ASP 92 N -2.45 5.11 -0.10 1.61 1.01 -0.83 -4.51 116.67 116.51 2mat s ASP 92 Ca 0.00 2.31 0.01 0.00 0.71 0.00 0.00 52.55 55.58 2mat s ASP 92 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 2mat s ASP 92 CO 0.00 -1.64 -0.11 0.27 0.21 0.00 0.00 175.17 173.90 2mat s ILE 93 N -1.76 3.31 -0.01 0.77 -4.36 -1.26 -1.33 121.20 116.57 2mat s ILE 93 Ca 0.75 -0.60 0.01 0.00 -0.26 0.00 0.00 60.65 60.55 2mat s ILE 93 Cb -0.28 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.06 2mat s ILE 93 CO 0.35 0.56 -0.03 0.54 0.24 0.00 0.00 174.94 176.60 2mat s VAL 94 N -0.21 0.22 -0.13 8.37 0.11 0.54 -1.20 120.40 128.09 2mat s VAL 94 Ca 0.01 -0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 58.92 2mat s VAL 94 Cb -0.13 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 2mat s VAL 94 CO 0.03 0.08 0.06 0.21 -3.33 0.00 0.00 175.10 172.14 2mat s ASN 95 N 0.08 5.64 -0.20 3.54 3.84 -0.34 0.50 114.94 127.99 2mat s ASN 95 Ca -0.00 0.18 0.01 0.00 0.21 0.00 0.00 52.86 53.26 2mat s ASN 95 Cb -0.03 -1.81 0.03 0.00 -0.55 0.00 0.00 41.25 38.89 2mat s ASN 95 CO -0.00 0.30 -0.17 -0.63 -2.79 0.00 0.00 177.10 173.81 2mat s ILE 96 N -0.39 2.19 -0.27 -5.21 1.01 -0.91 -0.92 121.20 116.71 2mat s ILE 96 Ca 0.09 -1.07 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 2mat s ILE 96 Cb -0.12 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.34 2mat s ILE 96 CO 0.02 0.39 0.03 -0.62 0.00 0.00 0.00 174.94 174.77 2mat s ASP 97 N 1.26 4.85 -0.01 3.58 -1.08 -0.19 -2.84 116.67 122.24 2mat s ASP 97 Ca 0.02 -0.64 0.06 0.00 -0.52 0.00 0.00 52.55 51.46 2mat s ASP 97 Cb -0.15 -1.82 -0.03 0.00 -1.46 0.00 0.00 42.92 39.46 2mat s ASP 97 CO -0.10 -0.14 -0.18 -0.69 0.52 0.00 0.00 175.17 174.58 2mat s VAL 98 N 1.48 2.79 -0.10 1.11 1.01 0.44 -2.49 120.40 124.64 2mat s VAL 98 Ca 0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 2mat s VAL 98 Cb -0.16 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.15 2mat s VAL 98 CO 0.00 0.50 0.04 -0.89 0.00 0.00 0.00 175.10 174.76 2mat s THR 99 N -0.78 0.13 0.13 3.92 2.01 -1.26 -0.91 115.64 118.88 2mat s THR 99 Ca 0.12 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.28 2mat s THR 99 Cb -0.10 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 2mat s THR 99 CO 0.02 0.06 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.24 2mat s VAL 100 N 2.06 3.42 -0.12 3.82 1.01 -0.53 -0.99 120.40 129.07 2mat s VAL 100 Ca 0.04 -1.38 0.02 0.00 0.00 0.00 0.00 61.98 60.66 2mat s VAL 100 Cb -0.14 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 2mat s VAL 100 CO -0.06 0.02 -0.18 -0.63 0.00 0.00 0.00 175.10 174.25 2mat s ILE 101 N -1.43 2.50 -0.06 2.22 1.01 0.60 -1.34 121.20 124.71 2mat s ILE 101 Ca 0.23 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 2mat s ILE 101 Cb -0.10 -2.02 0.04 0.00 0.01 0.00 0.00 42.46 40.39 2mat s ILE 101 CO 0.15 0.54 0.12 -0.75 0.00 0.00 0.00 174.94 175.00 2mat s LYS 102 N 0.48 0.03 -1.50 2.79 2.47 -0.60 -2.13 119.74 121.29 2mat s LYS 102 Ca -0.13 0.40 -0.13 0.00 -1.56 0.00 0.00 55.97 54.55 2mat s LYS 102 Cb -0.17 -0.26 0.09 0.00 -1.46 0.00 0.00 37.83 36.03 2mat s LYS 102 CO 0.05 -0.23 0.79 -0.25 0.16 0.00 0.00 175.35 175.87 2mat n ASP 103 N 4.67 -4.38 0.00 1.43 8.00 -1.26 -1.15 116.55 123.86 2mat n ASP 103 Ca -0.17 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.66 2mat n ASP 103 Cb 0.51 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.07 2mat n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2mat n GLY 104 N -1.48 0.84 3.65 0.44 0.00 -1.26 -5.01 105.19 102.37 2mat n GLY 104 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2mat n GLY 104 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2mat s PHE 105 N -3.51 2.97 0.13 1.61 0.40 -0.30 -4.39 117.98 114.89 2mat s PHE 105 Ca 0.00 -0.00 -0.06 0.00 -0.60 0.00 0.00 56.93 56.27 2mat s PHE 105 Cb 0.00 -1.59 -0.06 0.00 0.51 0.00 0.00 43.02 41.88 2mat s PHE 105 CO 0.00 0.44 0.38 -1.01 0.70 0.00 0.00 175.22 175.73 2mat s HIS 106 N -1.14 3.49 -0.10 0.36 3.76 -0.29 -1.55 115.29 119.81 2mat s HIS 106 Ca 0.21 0.60 -0.00 0.00 -0.15 0.00 0.00 55.06 55.72 2mat s HIS 106 Cb -0.11 -2.03 0.02 0.00 1.11 0.00 0.00 32.58 31.57 2mat s HIS 106 CO 0.12 0.45 -0.06 0.20 -0.85 0.00 0.00 174.74 174.60 2mat s GLY 107 N -2.29 0.75 -0.10 -2.22 0.00 -0.45 -4.67 107.32 98.34 2mat s GLY 107 Ca 0.39 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.68 2mat s GLY 107 CO 0.23 0.81 -0.12 -0.35 0.00 0.00 0.00 173.10 173.67 2mat s ASP 108 N 1.66 2.18 0.16 1.64 2.15 -1.26 -1.45 116.67 121.75 2mat s ASP 108 Ca 0.03 -0.35 -0.20 0.00 0.43 0.00 0.00 52.55 52.46 2mat s ASP 108 Cb -0.13 -0.94 0.05 0.00 -0.30 0.00 0.00 42.92 41.60 2mat s ASP 108 CO -0.07 -0.03 0.53 0.28 -0.17 0.00 0.00 175.17 175.71 2mat s THR 109 N 1.19 0.03 0.11 1.71 -1.32 -0.09 -3.50 115.64 113.77 2mat s THR 109 Ca -0.04 -0.35 -0.20 0.00 -1.21 0.00 0.00 61.69 59.89 2mat s THR 109 Cb -0.14 -1.19 0.05 0.00 -1.51 0.00 0.00 72.50 69.70 2mat s THR 109 CO -0.03 -0.12 0.49 -0.94 -2.21 0.00 0.00 174.62 171.81 2mat s SER 110 N -2.80 -0.38 0.17 8.08 1.04 -1.11 -0.42 113.70 118.28 2mat s SER 110 Ca 0.03 -0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.22 2mat s SER 110 Cb -0.00 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.65 2mat s SER 110 CO -0.10 -0.85 0.44 -1.59 0.98 0.00 0.00 173.24 172.11 2mat s LYS 111 N -3.43 1.25 0.06 4.02 -2.85 -1.13 -2.11 119.74 115.54 2mat s LYS 111 Ca 0.00 -0.90 -0.04 0.00 -1.00 0.00 0.00 55.97 54.03 2mat s LYS 111 Cb 0.00 0.47 -0.05 0.00 -2.06 0.00 0.00 37.83 36.20 2mat s LYS 111 CO -0.10 -0.50 0.28 -1.64 0.10 0.00 0.00 175.35 173.49 2mat s MET 112 N -3.88 3.56 -0.02 1.78 -1.94 -1.26 -2.15 119.30 115.39 2mat s MET 112 Ca 0.09 -0.17 0.04 0.00 -1.71 0.00 0.00 55.69 53.95 2mat s MET 112 Cb 0.01 -3.00 -0.01 0.00 2.01 0.00 0.00 34.83 33.84 2mat s MET 112 CO -0.05 0.59 -0.15 -0.06 -0.01 0.00 0.00 175.02 175.34 2mat s PHE 113 N -1.45 1.41 -0.21 -0.03 0.40 0.18 -4.94 117.98 113.34 2mat s PHE 113 Ca 0.33 -0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 56.25 2mat s PHE 113 Cb -0.13 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.43 2mat s PHE 113 CO 0.21 -0.08 0.10 0.42 0.70 0.00 0.00 175.22 176.57 2mat s ILE 114 N -0.15 4.97 -0.10 0.64 1.01 -1.26 -0.34 121.20 125.97 2mat s ILE 114 Ca 0.01 0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 2mat s ILE 114 Cb -0.08 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 2mat s ILE 114 CO 0.00 0.41 0.59 -0.69 0.00 0.00 0.00 174.94 175.26 2mat s VAL 115 N 0.72 5.11 0.00 2.92 1.01 -0.44 -4.91 120.40 124.80 2mat s VAL 115 Ca 0.05 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2mat s VAL 115 Cb -0.13 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2mat s VAL 115 CO 0.02 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2mat n GLY 116 N 3.23 2.83 3.66 4.51 0.00 -1.26 -0.16 105.19 118.00 2mat n GLY 116 Ca -0.04 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2mat n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2mat s LYS 117 N 0.00 4.27 0.65 1.61 0.00 -1.26 -4.72 119.74 120.28 2mat s LYS 117 Ca 0.00 1.46 -0.14 0.00 0.00 0.00 0.00 55.97 57.29 2mat s LYS 117 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 37.83 34.16 2mat s LYS 117 CO 0.00 -0.63 1.08 -1.25 0.00 0.00 0.00 175.35 174.55 2mat s PRO 118 N 3.18 2.97 0.40 1.78 0.04 -1.26 -2.26 135.00 139.84 2mat s PRO 118 Ca 0.48 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.74 2mat s PRO 118 Cb -0.17 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2mat s PRO 118 CO 0.10 -1.10 0.60 -0.08 0.04 0.00 0.00 177.00 176.56 2mat s THR 119 N -2.57 4.49 0.04 1.26 -1.32 -1.26 -4.95 115.64 111.33 2mat s THR 119 Ca 0.63 -0.52 -0.24 0.00 -1.21 0.00 0.00 61.69 60.36 2mat s THR 119 Cb -0.17 -3.64 -0.16 0.00 -1.51 0.00 0.00 72.50 67.02 2mat s THR 119 CO 0.44 -0.42 1.50 0.40 -2.21 0.00 0.00 174.62 174.33 2mat h ILE 120 N 0.59 1.21 -0.31 5.08 5.03 -1.99 -2.07 117.51 125.05 2mat h ILE 120 Ca -0.48 -0.63 0.02 0.00 -0.12 0.00 0.00 64.86 63.66 2mat h ILE 120 Cb 1.24 1.55 -0.03 0.00 -3.03 0.00 0.00 36.82 36.55 2mat h ILE 120 CO 0.59 0.17 0.15 -0.03 -0.68 0.00 0.00 178.15 178.35 2mat h MET 121 N -0.18 0.31 -0.70 2.37 4.05 -1.99 -1.46 114.93 117.34 2mat h MET 121 Ca 0.01 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 2mat h MET 121 Cb 0.27 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 2mat h MET 121 CO 0.00 0.20 0.36 0.78 0.23 0.00 0.00 176.91 178.48 2mat h GLY 122 N 0.32 1.06 0.89 1.39 0.00 -1.92 0.67 103.07 105.48 2mat h GLY 122 Ca 0.13 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 2mat h GLY 122 CO -0.09 0.48 0.02 -2.09 0.00 0.00 0.00 176.54 174.87 2mat h GLU 123 N 0.96 0.53 -0.42 4.80 4.81 -1.15 -1.70 114.58 122.41 2mat h GLU 123 Ca 0.24 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2mat h GLU 123 Cb 0.08 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2mat h GLU 123 CO -0.03 0.65 0.11 -0.09 -0.73 0.00 0.00 179.01 178.92 2mat h ARG 124 N 0.34 0.67 -0.86 1.92 2.43 -1.10 -1.69 114.38 116.09 2mat h ARG 124 Ca 0.09 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2mat h ARG 124 Cb 0.40 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2mat h ARG 124 CO 0.01 0.68 0.45 1.25 -1.51 0.00 0.00 179.97 180.85 2mat h LEU 125 N 0.55 1.10 -0.56 3.80 5.85 -0.78 -1.42 115.31 123.84 2mat h LEU 125 Ca 0.13 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 2mat h LEU 125 Cb 0.30 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2mat h LEU 125 CO -0.00 0.90 -0.10 0.00 -0.34 0.00 0.00 178.44 178.90 2mat h ARG 127 N 0.93 0.23 -0.76 0.00 2.43 -0.89 -1.58 114.38 114.73 2mat h ARG 127 Ca 0.14 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2mat h ARG 127 Cb 0.68 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2mat h ARG 127 CO 0.05 0.23 0.27 0.82 -1.51 0.00 0.00 179.97 179.83 2mat h ILE 128 N 0.17 1.26 -0.38 1.20 1.08 -1.25 -0.90 117.51 118.69 2mat h ILE 128 Ca 0.06 -0.86 -0.03 0.00 -0.39 0.00 0.00 64.86 63.64 2mat h ILE 128 Cb 0.07 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 2mat h ILE 128 CO -0.01 0.34 0.13 0.74 -0.69 0.00 0.00 178.15 178.66 2mat h THR 129 N 1.12 1.21 -0.60 -0.27 2.02 -1.25 -0.29 112.91 114.84 2mat h THR 129 Ca 0.25 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 2mat h THR 129 Cb 0.26 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2mat h THR 129 CO -0.01 0.23 0.16 -0.61 0.37 0.00 0.00 175.52 175.66 2mat h GLN 130 N 0.47 0.95 -0.48 6.66 4.15 -1.01 -2.33 115.11 123.52 2mat h GLN 130 Ca 0.12 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 2mat h GLN 130 Cb 0.23 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2mat h GLN 130 CO -0.01 0.86 0.26 0.93 -1.93 0.00 0.00 178.83 178.95 2mat h GLU 131 N 0.87 0.65 0.00 1.69 5.08 -0.94 0.59 114.58 122.51 2mat h GLU 131 Ca 0.19 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2mat h GLU 131 Cb 0.33 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2mat h GLU 131 CO -0.00 0.48 -0.37 0.66 -1.00 0.00 0.00 179.01 178.78 2mat h SER 132 N 0.66 0.00 -0.03 1.42 4.64 -0.55 -0.75 113.55 118.93 2mat h SER 132 Ca 0.17 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.37 2mat h SER 132 Cb 0.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2mat h SER 132 CO -0.03 0.37 -0.44 0.25 -0.87 0.00 0.00 176.83 176.11 2mat h LEU 133 N 0.00 0.44 -0.76 5.97 5.85 -0.66 -2.86 115.31 123.28 2mat h LEU 133 Ca -0.00 -0.72 0.04 0.00 0.84 0.00 0.00 57.88 58.03 2mat h LEU 133 Cb 0.75 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2mat h LEU 133 CO 0.05 1.10 0.48 1.88 -0.34 0.00 0.00 178.44 181.60 2mat h TYR 134 N -0.18 0.89 -0.29 1.25 -1.99 -0.73 -0.70 116.97 115.23 2mat h TYR 134 Ca -0.05 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.77 2mat h TYR 134 Cb 1.14 -0.29 -0.06 0.00 2.00 0.00 0.00 36.73 39.51 2mat h TYR 134 CO 0.15 0.50 -0.14 1.25 -0.00 0.00 0.00 178.16 179.92 2mat h LEU 135 N 0.92 -0.46 -0.90 3.88 6.46 -1.15 -1.19 115.31 122.87 2mat h LEU 135 Ca 0.31 0.11 0.02 0.00 -0.12 0.00 0.00 57.88 58.20 2mat h LEU 135 Cb 0.04 0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.18 2mat h LEU 135 CO -0.12 -0.17 0.59 0.00 -0.62 0.00 0.00 178.44 178.12 2mat h ALA 136 N 1.14 1.17 -0.88 1.25 0.00 -1.22 -2.75 119.26 117.96 2mat h ALA 136 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2mat h ALA 136 Cb 0.32 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2mat h ALA 136 CO -0.35 0.50 0.46 -0.07 0.00 0.00 0.00 179.25 179.79 2mat h LEU 137 N 1.18 1.12 -1.09 0.00 3.38 -0.21 -2.21 115.31 117.50 2mat h LEU 137 Ca 0.34 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2mat h LEU 137 Cb -0.08 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.39 2mat h LEU 137 CO -0.09 0.92 0.00 0.03 0.09 0.00 0.00 178.44 179.39 2mat h ARG 138 N 1.25 0.00 0.00 1.13 3.08 -0.95 -2.87 114.38 116.02 2mat h ARG 138 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2mat h ARG 138 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2mat h ARG 138 CO -0.05 0.00 -1.10 -1.33 -1.07 0.00 0.00 179.97 176.43 2mat n MET 139 N -2.33 0.50 -1.94 0.04 2.81 -0.84 -4.94 117.12 110.42 2mat n MET 139 Ca 0.01 0.05 -0.42 0.00 -1.81 0.00 0.00 57.70 55.52 2mat n MET 139 Cb 0.16 -1.72 -0.03 0.00 -0.71 0.00 0.00 33.22 30.93 2mat n MET 139 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2mat s VAL 140 N -3.32 3.30 -0.04 2.03 1.01 -1.08 -4.95 120.40 117.34 2mat s VAL 140 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.23 2mat s VAL 140 Cb 0.12 -3.35 0.11 0.00 0.00 0.00 0.00 36.38 33.26 2mat s VAL 140 CO 0.80 -0.03 0.94 -1.59 0.00 0.00 0.00 175.10 175.22 2mat s LYS 141 N 3.50 0.73 0.32 2.72 -2.85 -1.26 -3.83 119.74 119.08 2mat s LYS 141 Ca 0.75 -0.24 -0.29 0.00 -1.00 0.00 0.00 55.97 55.19 2mat s LYS 141 Cb -0.37 0.34 -0.12 0.00 -2.06 0.00 0.00 37.83 35.62 2mat s LYS 141 CO 0.32 -0.31 1.53 -0.35 0.10 0.00 0.00 175.35 176.64 2mat n PRO 142 N -0.14 2.63 0.00 1.78 -0.05 -1.26 -2.87 135.00 135.08 2mat n PRO 142 Ca -0.08 0.93 0.00 0.00 -0.05 0.00 0.00 63.50 64.30 2mat n PRO 142 Cb 0.61 -2.68 0.00 0.00 -0.05 0.00 0.00 33.50 31.38 2mat n PRO 142 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2mat n GLY 143 N 1.49 2.67 3.80 0.55 0.00 -0.06 -4.96 105.19 108.69 2mat n GLY 143 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2mat n GLY 143 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2mat s ILE 144 N -2.71 3.95 0.02 -0.61 2.07 -1.14 -4.62 121.20 118.17 2mat s ILE 144 Ca 0.00 1.17 -0.22 0.00 -1.41 0.00 0.00 60.65 60.19 2mat s ILE 144 Cb 0.00 -3.49 -0.06 0.00 0.13 0.00 0.00 42.46 39.05 2mat s ILE 144 CO 0.00 -0.31 0.64 0.21 -1.91 0.00 0.00 174.94 173.57 2mat s ASN 145 N -2.16 7.06 0.48 4.50 3.84 -1.26 -0.39 114.94 127.01 2mat s ASN 145 Ca 0.65 1.26 0.23 0.00 0.21 0.00 0.00 52.86 55.22 2mat s ASN 145 Cb -0.14 -2.39 1.28 0.00 -0.55 0.00 0.00 41.25 39.44 2mat s ASN 145 CO 0.21 0.10 1.91 -0.07 -2.79 0.00 0.00 177.10 176.46 2mat h LEU 146 N 5.47 0.18 -0.85 3.21 3.38 -0.66 -1.40 115.31 124.64 2mat h LEU 146 Ca -0.45 0.02 0.16 0.00 0.09 0.00 0.00 57.88 57.69 2mat h LEU 146 Cb 1.20 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 2mat h LEU 146 CO 0.69 0.08 0.43 -0.09 0.09 0.00 0.00 178.44 179.64 2mat h ARG 147 N 0.19 0.57 -0.30 1.13 2.43 -1.81 0.61 114.38 117.19 2mat h ARG 147 Ca 0.38 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2mat h ARG 147 Cb 1.24 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 2mat h ARG 147 CO -0.07 0.37 0.18 0.93 -1.51 0.00 0.00 179.97 179.87 2mat h GLU 148 N 0.58 0.41 -0.19 0.20 5.08 -1.64 -0.73 114.58 118.30 2mat h GLU 148 Ca 0.48 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.72 2mat h GLU 148 Cb 0.71 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2mat h GLU 148 CO -0.39 0.29 -0.23 0.82 -1.00 0.00 0.00 179.01 178.50 2mat h ILE 149 N 0.42 1.34 -0.20 3.13 2.04 -0.98 -1.89 117.51 121.36 2mat h ILE 149 Ca 0.11 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 2mat h ILE 149 Cb -0.01 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2mat h ILE 149 CO -0.02 0.43 0.06 1.23 0.00 0.00 0.00 178.15 179.85 2mat h GLY 150 N 0.15 0.33 0.32 5.37 0.00 -1.15 -1.91 103.07 106.17 2mat h GLY 150 Ca 0.02 -0.20 0.12 0.00 0.00 0.00 0.00 47.33 47.27 2mat h GLY 150 CO 0.06 0.19 0.32 0.00 0.00 0.00 0.00 176.54 177.10 2mat h ALA 151 N 0.88 1.00 -0.24 3.60 0.00 -1.14 -1.75 119.26 121.61 2mat h ALA 151 Ca 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2mat h ALA 151 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2mat h ALA 151 CO -0.00 -0.13 0.11 0.00 0.00 0.00 0.00 179.25 179.22 2mat h ALA 152 N 1.48 0.32 0.10 0.00 0.00 -0.91 -1.38 119.26 118.87 2mat h ALA 152 Ca 0.38 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2mat h ALA 152 Cb 0.49 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2mat h ALA 152 CO -0.33 -0.10 -0.28 0.82 0.00 0.00 0.00 179.25 179.35 2mat h ILE 153 N 0.25 0.38 -0.55 0.00 2.04 -0.94 -1.48 117.51 117.21 2mat h ILE 153 Ca 0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.03 2mat h ILE 153 Cb 0.15 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 2mat h ILE 153 CO -0.01 0.00 0.17 -0.61 0.00 0.00 0.00 178.15 177.70 2mat h GLN 154 N -0.49 0.32 -0.56 2.37 4.15 -1.23 -0.89 115.11 118.79 2mat h GLN 154 Ca 0.04 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.45 2mat h GLN 154 Cb 0.53 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 2mat h GLN 154 CO -0.18 0.21 0.36 0.87 -1.93 0.00 0.00 178.83 178.17 2mat h LYS 155 N 0.33 0.72 0.36 1.69 6.56 -0.90 -0.92 116.57 124.41 2mat h LYS 155 Ca 0.28 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.82 2mat h LYS 155 Cb 0.34 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.82 2mat h LYS 155 CO -0.31 0.48 -0.34 0.35 -2.06 0.00 0.00 179.45 177.57 2mat h PHE 156 N 0.74 -0.91 -0.38 -1.35 3.57 -0.42 -1.76 116.94 116.42 2mat h PHE 156 Ca 0.21 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.74 2mat h PHE 156 Cb -0.07 0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2mat h PHE 156 CO -0.04 -0.48 0.18 0.28 -2.23 0.00 0.00 178.31 176.01 2mat h VAL 157 N -0.72 0.96 0.00 1.41 2.07 -1.08 -2.38 116.25 116.51 2mat h VAL 157 Ca -0.02 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 2mat h VAL 157 Cb 0.64 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2mat h VAL 157 CO -0.05 0.07 -0.38 -0.33 0.02 0.00 0.00 177.57 176.90 2mat h GLU 158 N 0.37 0.00 0.00 1.57 5.08 -1.11 -2.32 114.58 118.16 2mat h GLU 158 Ca 0.16 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2mat h GLU 158 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2mat h GLU 158 CO -0.12 0.38 -0.20 0.00 -1.00 0.00 0.00 179.01 178.07 2mat h ALA 159 N 1.62 1.26 -0.48 3.43 0.00 -0.81 -2.12 119.26 122.17 2mat h ALA 159 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2mat h ALA 159 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2mat h ALA 159 CO 0.05 0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.93 2mat n GLU 160 N -3.71 2.13 -0.77 0.00 -0.58 -0.90 -4.94 120.64 111.87 2mat n GLU 160 Ca -0.01 -1.76 0.00 0.00 -0.42 0.00 0.00 57.16 54.97 2mat n GLU 160 Cb 0.31 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 2mat n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2mat n GLY 161 N 1.28 0.66 3.60 0.62 0.00 -0.80 -5.06 105.19 105.50 2mat n GLY 161 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2mat n GLY 161 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2mat n PHE 162 N -2.63 -0.93 -4.25 1.61 3.72 -1.03 -4.87 117.46 109.07 2mat n PHE 162 Ca 0.00 -2.16 -0.15 0.00 -0.05 0.00 0.00 57.45 55.10 2mat n PHE 162 Cb 0.00 -0.44 -0.10 0.00 -0.94 0.00 0.00 39.48 38.00 2mat n PHE 162 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2mat s SER 163 N -4.10 1.85 -0.10 4.37 1.04 -0.44 -3.91 113.70 112.40 2mat s SER 163 Ca 0.34 -1.00 -0.01 0.00 0.48 0.00 0.00 55.95 55.76 2mat s SER 163 Cb -0.03 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 2mat s SER 163 CO 0.22 -0.31 -0.04 0.54 0.98 0.00 0.00 173.24 174.62 2mat s VAL 164 N -3.25 3.93 0.08 5.02 0.11 -1.26 -1.23 120.40 123.80 2mat s VAL 164 Ca 0.17 -0.38 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 2mat s VAL 164 Cb 0.02 -2.65 -0.06 0.00 -1.53 0.00 0.00 36.38 32.16 2mat s VAL 164 CO 0.01 0.57 1.15 -0.69 -3.33 0.00 0.00 175.10 172.81 2mat s VAL 165 N -0.47 4.09 0.00 2.04 1.01 -0.70 -4.83 120.40 121.55 2mat s VAL 165 Ca 0.07 1.57 -0.14 0.00 0.00 0.00 0.00 61.98 63.48 2mat s VAL 165 Cb -0.12 -4.00 -0.34 0.00 0.00 0.00 0.00 36.38 31.92 2mat s VAL 165 CO 0.02 0.16 0.89 0.03 0.00 0.00 0.00 175.10 176.20 2mat h ARG 166 N 6.37 0.49 0.00 2.72 2.47 -1.91 -3.40 114.38 121.12 2mat h ARG 166 Ca -0.42 -0.84 -0.03 0.00 -1.26 0.00 0.00 59.98 57.43 2mat h ARG 166 Cb 1.21 0.31 -0.00 0.00 -1.65 0.00 0.00 29.97 29.84 2mat h ARG 166 CO 0.78 1.40 -0.14 0.93 0.56 0.00 0.00 179.97 183.51 2mat h GLU 167 N 0.13 0.00 -6.79 0.04 3.07 -1.95 -3.44 114.58 105.64 2mat h GLU 167 Ca -0.29 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 57.88 2mat h GLU 167 Cb 2.15 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 29.83 2mat h GLU 167 CO 0.24 0.14 -0.86 0.71 -1.40 0.00 0.00 179.01 177.84 2mat s TYR 168 N -4.52 2.37 0.35 4.33 1.51 -1.26 -5.12 117.35 115.01 2mat s TYR 168 Ca -0.04 -0.37 -0.06 0.00 -1.01 0.00 0.00 57.07 55.60 2mat s TYR 168 Cb 0.15 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.68 2mat s TYR 168 CO 0.65 0.26 0.55 0.00 -1.11 0.00 0.00 175.55 175.90 2mat s GLY 170 N -3.19 1.62 0.16 0.00 0.00 0.44 -4.78 107.32 101.57 2mat s GLY 170 Ca 0.27 -0.80 -0.22 0.00 0.00 0.00 0.00 44.72 43.97 2mat s GLY 170 CO 0.18 -0.09 0.57 -2.38 0.00 0.00 0.00 173.10 171.39 2mat s HIS 171 N -3.31 -0.47 0.84 1.90 -3.43 -1.23 -0.42 115.29 109.18 2mat s HIS 171 Ca 0.68 0.23 -0.11 0.00 -0.80 0.00 0.00 55.06 55.07 2mat s HIS 171 Cb -0.11 0.52 0.10 0.00 -1.43 0.00 0.00 32.58 31.66 2mat s HIS 171 CO 0.54 -0.85 1.10 0.20 -2.00 0.00 0.00 174.74 173.74 2mat s GLY 172 N -2.77 1.66 -0.03 -1.38 0.00 0.56 -1.28 107.32 104.09 2mat s GLY 172 Ca 0.02 0.27 -0.25 0.00 0.00 0.00 0.00 44.72 44.76 2mat s GLY 172 CO -0.12 0.67 0.54 -1.50 0.00 0.00 0.00 173.10 172.70 2mat s ILE 173 N -2.83 0.02 0.00 0.90 2.07 -1.09 0.48 121.20 120.74 2mat s ILE 173 Ca 0.63 -0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.69 2mat s ILE 173 Cb -0.19 -0.87 0.00 0.00 0.13 0.00 0.00 42.46 41.53 2mat s ILE 173 CO 0.57 -0.10 0.00 0.61 -1.91 0.00 0.00 174.94 174.11 2mat n GLY 174 N 0.97 -0.80 0.21 1.50 0.00 -1.26 -4.64 105.19 101.17 2mat n GLY 174 Ca -0.20 0.66 0.09 0.00 0.00 0.00 0.00 46.02 46.57 2mat n GLY 174 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2mat h GLN 175 N 0.00 0.00 -6.09 1.61 4.20 -1.95 -0.77 115.11 112.11 2mat h GLN 175 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 2mat h GLN 175 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 2mat h GLN 175 CO 0.00 0.27 -0.54 0.20 -0.67 0.00 0.00 178.83 178.09 2mat s GLY 176 N -4.31 1.91 -0.07 3.46 0.00 -1.26 -4.83 107.32 102.23 2mat s GLY 176 Ca 0.01 -1.02 -0.22 0.00 0.00 0.00 0.00 44.72 43.48 2mat s GLY 176 CO 0.65 -1.02 0.88 -2.75 0.00 0.00 0.00 173.10 170.86 2mat h PHE 177 N 2.76 -0.12 -3.57 1.90 3.04 -1.89 -3.42 116.94 115.64 2mat h PHE 177 Ca -0.47 -0.00 -0.68 0.00 3.98 0.00 0.00 57.97 60.80 2mat h PHE 177 Cb 1.18 0.04 -0.37 0.00 2.56 0.00 0.00 35.95 39.36 2mat h PHE 177 CO 0.58 0.41 -0.62 -1.01 -2.02 0.00 0.00 178.31 175.66 2mat s HIS 178 N -3.24 3.63 0.55 0.41 3.76 -1.26 -4.47 115.29 114.67 2mat s HIS 178 Ca -0.14 -2.73 0.05 0.00 -0.15 0.00 0.00 55.06 52.10 2mat s HIS 178 Cb -0.00 -3.08 0.04 0.00 1.11 0.00 0.00 32.58 30.65 2mat s HIS 178 CO 0.53 -0.94 0.41 -1.21 -0.85 0.00 0.00 174.74 172.67 2mat s GLU 179 N 0.90 2.25 0.52 1.40 2.02 0.18 -4.91 118.70 121.04 2mat s GLU 179 Ca 0.10 -2.04 -0.18 0.00 0.02 0.00 0.00 54.97 52.87 2mat s GLU 179 Cb -0.21 -2.09 -0.07 0.00 0.10 0.00 0.00 34.13 31.86 2mat s GLU 179 CO -0.06 -0.64 1.03 -1.21 0.02 0.00 0.00 175.26 174.40 2mat s GLU 180 N -4.29 3.71 0.55 1.61 2.02 -1.26 -0.32 118.70 120.72 2mat s GLU 180 Ca 0.33 1.22 0.09 0.00 0.02 0.00 0.00 54.97 56.64 2mat s GLU 180 Cb -0.02 -2.09 0.07 0.00 0.10 0.00 0.00 34.13 32.19 2mat s GLU 180 CO 0.21 -0.49 0.73 -1.25 0.02 0.00 0.00 175.26 174.47 2mat s PRO 181 N -3.63 2.37 -0.17 0.39 0.04 -1.26 -3.54 135.00 129.20 2mat s PRO 181 Ca 0.64 -1.62 -0.29 0.00 0.04 0.00 0.00 61.00 59.77 2mat s PRO 181 Cb -0.15 -2.61 -0.00 0.00 0.04 0.00 0.00 34.50 31.78 2mat s PRO 181 CO 0.26 -0.76 1.05 -0.65 0.04 0.00 0.00 177.00 176.95 2mat s GLN 182 N -4.59 4.33 -0.53 4.56 -0.21 -1.26 -1.40 119.66 120.56 2mat s GLN 182 Ca 0.59 1.41 -0.12 0.00 0.02 0.00 0.00 55.36 57.26 2mat s GLN 182 Cb -0.06 -3.61 0.13 0.00 1.00 0.00 0.00 33.01 30.48 2mat s GLN 182 CO 0.37 -0.50 0.45 0.08 -2.12 0.00 0.00 175.29 173.56 2mat s VAL 183 N 2.70 4.72 0.31 1.09 1.01 0.44 -4.94 120.40 125.74 2mat s VAL 183 Ca 0.47 -1.76 -0.28 0.00 0.00 0.00 0.00 61.98 60.42 2mat s VAL 183 Cb -0.17 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2mat s VAL 183 CO 0.12 -0.84 1.10 -0.76 0.00 0.00 0.00 175.10 174.72 2mat s LEU 184 N 1.33 4.45 -0.22 3.92 1.02 -1.26 -0.42 118.68 127.49 2mat s LEU 184 Ca 0.06 2.24 0.10 0.00 0.02 0.00 0.00 54.13 56.55 2mat s LEU 184 Cb -0.26 -3.76 0.65 0.00 0.02 0.00 0.00 46.19 42.83 2mat s LEU 184 CO 0.00 -0.25 1.55 1.41 0.02 0.00 0.00 176.35 179.08 2mat n HIS 185 N 0.86 1.82 -4.09 0.29 8.25 -1.26 -4.03 115.22 117.06 2mat n HIS 185 Ca 0.00 -0.73 -0.11 0.00 -0.26 0.00 0.00 57.72 56.62 2mat n HIS 185 Cb 0.46 -0.49 -0.07 0.00 1.12 0.00 0.00 29.99 31.01 2mat n HIS 185 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 2mat s TYR 186 N -2.47 0.79 -0.03 4.41 1.13 -1.23 -3.61 117.35 116.33 2mat s TYR 186 Ca 0.45 -1.07 -0.30 0.00 -1.41 0.00 0.00 57.07 54.74 2mat s TYR 186 Cb 0.35 -0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 41.03 2mat s TYR 186 CO 0.12 -0.89 1.25 0.34 -2.51 0.00 0.00 175.55 173.86 2mat s ASP 187 N -3.11 7.01 -0.11 -0.18 2.15 -1.25 -3.85 116.67 117.33 2mat s ASP 187 Ca 0.30 1.91 -0.06 0.00 0.43 0.00 0.00 52.55 55.13 2mat s ASP 187 Cb 0.02 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 40.12 2mat s ASP 187 CO 0.12 -0.60 0.25 -0.55 -0.17 0.00 0.00 175.17 174.22 2mat s SER 188 N 1.51 -0.27 0.36 -0.34 0.15 -1.26 -4.96 113.70 108.89 2mat s SER 188 Ca 0.58 0.53 0.27 0.00 0.70 0.00 0.00 55.95 58.03 2mat s SER 188 Cb -0.27 0.42 1.21 0.00 -1.71 0.00 0.00 66.02 65.67 2mat s SER 188 CO 0.24 -0.16 1.80 0.03 1.20 0.00 0.00 173.24 176.35 2mat h ARG 189 N 7.08 0.00 0.00 5.44 3.08 -2.00 -1.82 114.38 126.16 2mat h ARG 189 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2mat h ARG 189 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2mat h ARG 189 CO 0.37 0.00 0.00 0.93 -1.07 0.00 0.00 179.97 180.20 2mat h GLU 190 N 0.00 0.00 -5.88 0.04 5.08 -2.01 -3.44 114.58 108.37 2mat h GLU 190 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2mat h GLU 190 Cb 0.28 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 2mat h GLU 190 CO 0.00 0.00 0.29 0.99 -1.00 0.00 0.00 179.01 179.29 2mat s THR 191 N -3.52 4.93 -0.44 1.13 2.01 -0.69 -4.98 115.64 114.07 2mat s THR 191 Ca 0.03 1.50 0.06 0.00 0.31 0.00 0.00 61.69 63.59 2mat s THR 191 Cb 0.09 -4.08 0.18 0.00 0.01 0.00 0.00 72.50 68.69 2mat s THR 191 CO 0.52 0.07 0.55 0.21 -0.69 0.00 0.00 174.62 175.29 2mat s ASN 192 N 1.13 -0.32 -0.06 3.53 3.04 -1.26 -4.60 114.94 116.40 2mat s ASN 192 Ca 0.36 -1.76 -0.02 0.00 0.04 0.00 0.00 52.86 51.48 2mat s ASN 192 Cb -0.16 1.17 0.03 0.00 -1.54 0.00 0.00 41.25 40.74 2mat s ASN 192 CO 0.12 -0.15 0.04 -0.69 -3.04 0.00 0.00 177.10 173.39 2mat s VAL 193 N 1.05 0.06 -0.11 -5.21 1.01 -1.26 -5.01 120.40 110.93 2mat s VAL 193 Ca 0.25 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 2mat s VAL 193 Cb -0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2mat s VAL 193 CO -0.07 0.18 0.46 -0.69 0.00 0.00 0.00 175.10 174.97 2mat s VAL 194 N 2.10 5.18 0.49 2.92 1.01 -1.26 0.16 120.40 130.99 2mat s VAL 194 Ca 0.05 0.91 -0.20 0.00 0.00 0.00 0.00 61.98 62.74 2mat s VAL 194 Cb -0.12 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 2mat s VAL 194 CO -0.04 0.36 1.03 -0.76 0.00 0.00 0.00 175.10 175.68 2mat s LEU 195 N 0.43 3.82 0.01 3.92 1.02 0.47 -4.88 118.68 123.47 2mat s LEU 195 Ca 0.25 1.87 -0.11 0.00 0.02 0.00 0.00 54.13 56.17 2mat s LEU 195 Cb -0.15 -4.55 0.01 0.00 0.02 0.00 0.00 46.19 41.52 2mat s LEU 195 CO 0.10 -0.75 0.22 -1.59 0.02 0.00 0.00 176.35 174.35 2mat s LYS 196 N -3.33 0.61 0.40 1.70 -2.85 -1.26 -0.88 119.74 114.12 2mat s LYS 196 Ca 0.66 -0.37 -0.26 0.00 -1.00 0.00 0.00 55.97 55.00 2mat s LYS 196 Cb -0.15 0.26 -0.10 0.00 -2.06 0.00 0.00 37.83 35.77 2mat s LYS 196 CO 0.21 -0.16 1.26 -2.30 0.10 0.00 0.00 175.35 174.46 2mat n PRO 197 N 1.20 1.95 -0.08 1.78 -0.02 -1.26 -2.41 135.00 136.16 2mat n PRO 197 Ca -0.21 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2mat n PRO 197 Cb 0.56 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2mat n PRO 197 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2mat n GLY 198 N 0.82 0.91 3.78 -1.23 0.00 -0.24 -4.87 105.19 104.35 2mat n GLY 198 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2mat n GLY 198 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2mat s MET 199 N -0.67 4.47 -0.06 1.61 -1.94 -1.01 -1.21 119.30 120.48 2mat s MET 199 Ca 0.00 1.47 0.02 0.00 -1.71 0.00 0.00 55.69 55.47 2mat s MET 199 Cb 0.00 -2.80 0.01 0.00 2.01 0.00 0.00 34.83 34.06 2mat s MET 199 CO 0.00 0.15 -0.12 0.95 -0.01 0.00 0.00 175.02 175.99 2mat s THR 200 N -1.54 1.08 0.32 2.05 -4.23 -1.26 -1.17 115.64 110.88 2mat s THR 200 Ca 0.51 -0.45 -0.19 0.00 -1.18 0.00 0.00 61.69 60.38 2mat s THR 200 Cb -0.22 -0.99 0.03 0.00 1.34 0.00 0.00 72.50 72.67 2mat s THR 200 CO 0.28 0.34 0.75 0.72 -0.54 0.00 0.00 174.62 176.17 2mat s PHE 201 N 0.64 -0.07 0.20 3.99 -0.71 -0.73 -2.67 117.98 118.63 2mat s PHE 201 Ca -0.13 -0.48 0.07 0.00 -1.04 0.00 0.00 56.93 55.35 2mat s PHE 201 Cb -0.15 0.76 -0.04 0.00 -1.21 0.00 0.00 43.02 42.38 2mat s PHE 201 CO 0.03 -1.37 0.03 0.95 -1.34 0.00 0.00 175.22 173.52 2mat s THR 202 N -3.27 3.83 -0.10 -4.49 -4.23 -0.40 -1.11 115.64 105.87 2mat s THR 202 Ca 0.13 -1.47 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 2mat s THR 202 Cb -0.06 -2.96 0.01 0.00 1.34 0.00 0.00 72.50 70.83 2mat s THR 202 CO 0.09 -0.18 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.21 2mat s ILE 203 N -1.88 1.44 -0.44 2.99 1.01 -1.03 -3.53 121.20 119.76 2mat s ILE 203 Ca 0.29 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.40 2mat s ILE 203 Cb -0.09 -1.31 0.29 0.00 0.01 0.00 0.00 42.46 41.36 2mat s ILE 203 CO 0.20 0.43 0.89 -1.84 0.00 0.00 0.00 174.94 174.62 2mat n GLU 204 N 4.13 0.89 -1.89 2.79 0.28 -1.26 -2.45 120.64 123.13 2mat n GLU 204 Ca -0.19 -2.31 -0.41 0.00 -0.16 0.00 0.00 57.16 54.08 2mat n GLU 204 Cb 0.51 -1.31 -0.02 0.00 1.43 0.00 0.00 31.44 32.05 2mat n GLU 204 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2mat s PRO 205 N -0.28 4.19 -0.22 3.44 0.04 -1.22 -4.77 135.00 136.17 2mat s PRO 205 Ca 0.30 2.45 -0.05 0.00 0.04 0.00 0.00 61.00 63.74 2mat s PRO 205 Cb 0.26 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 2mat s PRO 205 CO -0.13 -0.53 0.00 -1.64 0.04 0.00 0.00 177.00 174.74 2mat s MET 206 N -0.46 3.53 -0.05 4.56 -1.94 -1.26 -3.60 119.30 120.08 2mat s MET 206 Ca 0.61 -0.55 0.06 0.00 -1.71 0.00 0.00 55.69 54.10 2mat s MET 206 Cb -0.45 -3.13 -0.01 0.00 2.01 0.00 0.00 34.83 33.25 2mat s MET 206 CO 0.46 -0.14 -0.23 0.08 -0.01 0.00 0.00 175.02 175.18 2mat s VAL 207 N 1.40 2.22 -0.10 -6.03 1.01 0.23 -1.71 120.40 117.42 2mat s VAL 207 Ca 0.05 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 2mat s VAL 207 Cb -0.15 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2mat s VAL 207 CO 0.00 0.57 0.02 0.20 0.00 0.00 0.00 175.10 175.89 2mat s ASN 208 N -0.27 5.34 0.29 3.32 0.01 -0.36 0.57 114.94 123.83 2mat s ASN 208 Ca -0.00 0.15 0.04 0.00 -0.71 0.00 0.00 52.86 52.34 2mat s ASN 208 Cb -0.13 -1.57 0.45 0.00 0.41 0.00 0.00 41.25 40.41 2mat s ASN 208 CO 0.03 0.36 1.73 0.00 -1.51 0.00 0.00 177.10 177.70 2mat h ALA 209 N 5.32 1.13 -3.00 0.60 0.00 -1.18 -1.17 119.26 120.97 2mat h ALA 209 Ca -0.49 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2mat h ALA 209 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2mat h ALA 209 CO 0.56 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.77 2mat n GLY 210 N -0.37 0.54 3.88 0.00 0.00 -1.26 -4.67 105.19 103.31 2mat n GLY 210 Ca -0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2mat n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2mat s LYS 211 N 4.01 3.70 0.48 1.61 3.01 -1.26 -3.96 119.74 127.32 2mat s LYS 211 Ca 0.00 0.51 0.27 0.00 -1.01 0.00 0.00 55.97 55.74 2mat s LYS 211 Cb 0.00 -2.29 1.12 0.00 -1.01 0.00 0.00 37.83 35.65 2mat s LYS 211 CO 0.00 -0.22 1.91 1.57 0.51 0.00 0.00 175.35 179.11 2mat h LYS 212 N 0.60 0.00 -6.80 1.68 2.10 -1.90 -3.46 116.57 108.79 2mat h LYS 212 Ca -0.46 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.63 2mat h LYS 212 Cb 1.19 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.63 2mat h LYS 212 CO 0.62 0.15 0.62 0.39 -2.00 0.00 0.00 179.45 179.24 2mat n GLU 213 N -3.35 2.33 -4.41 0.07 4.71 -1.26 -4.68 120.64 114.05 2mat n GLU 213 Ca -0.00 0.82 -0.20 0.00 -0.01 0.00 0.00 57.16 57.77 2mat n GLU 213 Cb 0.37 -2.46 -0.10 0.00 -1.01 0.00 0.00 31.44 28.23 2mat n GLU 213 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 2mat s ILE 214 N -1.00 1.29 -0.02 -3.67 -4.36 -1.26 -0.37 121.20 111.80 2mat s ILE 214 Ca 0.56 -2.05 -0.02 0.00 -0.26 0.00 0.00 60.65 58.88 2mat s ILE 214 Cb -0.54 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 40.63 2mat s ILE 214 CO 0.62 -0.20 0.06 -0.13 0.24 0.00 0.00 174.94 175.52 2mat s ARG 215 N -3.83 0.06 0.18 0.37 3.00 -0.05 -4.69 118.95 113.99 2mat s ARG 215 Ca 0.32 0.09 -0.22 0.00 0.00 0.00 0.00 55.73 55.91 2mat s ARG 215 Cb 0.06 0.02 -0.08 0.00 0.00 0.00 0.00 34.95 34.95 2mat s ARG 215 CO 0.12 -0.02 0.72 0.99 0.00 0.00 0.00 175.30 177.12 2mat s THR 216 N 0.09 4.51 0.63 0.02 2.01 -1.26 -1.15 115.64 120.49 2mat s THR 216 Ca -0.00 1.44 -0.08 0.00 0.31 0.00 0.00 61.69 63.36 2mat s THR 216 Cb -0.01 -3.97 0.01 0.00 0.01 0.00 0.00 72.50 68.54 2mat s THR 216 CO -0.00 0.38 0.97 -0.04 -0.69 0.00 0.00 174.62 175.24 2mat s MET 217 N -1.53 2.88 0.00 4.92 -1.94 0.14 -4.96 119.30 118.82 2mat s MET 217 Ca 0.38 0.15 0.16 0.00 -1.71 0.00 0.00 55.69 54.67 2mat s MET 217 Cb -0.20 -2.18 0.85 0.00 2.01 0.00 0.00 34.83 35.31 2mat s MET 217 CO 0.23 -0.83 1.40 0.36 -0.01 0.00 0.00 175.02 176.17 2mat n LYS 218 N -2.74 0.33 0.00 2.03 0.00 -1.26 -1.53 118.16 115.00 2mat n LYS 218 Ca 0.05 0.08 0.13 0.00 -0.00 0.00 0.00 58.31 58.58 2mat n LYS 218 Cb 0.57 -1.50 0.52 0.00 -0.00 0.00 0.00 35.03 34.62 2mat n LYS 218 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2mat n ASP 219 N -1.17 0.14 -0.07 -5.58 5.68 -1.26 -4.95 116.55 109.34 2mat n ASP 219 Ca 0.09 0.29 -0.01 0.00 -0.50 0.00 0.00 54.79 54.66 2mat n ASP 219 Cb 0.09 -0.29 -0.00 0.00 -1.14 0.00 0.00 41.12 39.78 2mat n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2mat n GLY 220 N 1.50 0.45 1.56 6.12 0.00 -0.58 -4.80 105.19 109.43 2mat n GLY 220 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2mat n GLY 220 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2mat n TRP 221 N -2.76 -0.59 -1.68 1.61 7.02 -1.26 -4.98 117.44 114.79 2mat n TRP 221 Ca -0.01 0.10 -0.45 0.00 -1.02 0.00 0.00 57.50 56.12 2mat n TRP 221 Cb 0.13 0.30 -0.04 0.00 -2.42 0.00 0.00 31.31 29.28 2mat n TRP 221 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 2mat n THR 222 N -3.04 0.07 -5.15 -0.99 -1.04 -1.26 -4.66 114.28 98.20 2mat n THR 222 Ca 0.00 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.68 2mat n THR 222 Cb 0.14 -1.69 -0.16 0.00 -1.82 0.00 0.00 70.33 66.79 2mat n THR 222 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2mat s VAL 223 N 1.31 2.25 0.23 12.58 1.01 -0.89 0.29 120.40 137.19 2mat s VAL 223 Ca 0.79 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.86 2mat s VAL 223 Cb -0.63 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 2mat s VAL 223 CO 0.38 0.56 -0.05 -0.54 0.00 0.00 0.00 175.10 175.44 2mat s LYS 224 N 0.15 1.37 0.47 2.72 1.02 -0.30 0.98 119.74 126.15 2mat s LYS 224 Ca -0.12 -1.67 -0.21 0.00 0.02 0.00 0.00 55.97 53.98 2mat s LYS 224 Cb -0.16 -0.85 -0.08 0.00 -0.52 0.00 0.00 37.83 36.22 2mat s LYS 224 CO 0.07 0.00 1.09 0.95 -0.92 0.00 0.00 175.35 176.53 2mat s THR 225 N -3.22 3.50 0.16 2.17 -4.23 -0.85 -0.87 115.64 112.29 2mat s THR 225 Ca 0.26 1.02 -0.09 0.00 -1.18 0.00 0.00 61.69 61.70 2mat s THR 225 Cb 0.04 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.38 2mat s THR 225 CO 0.08 -0.12 1.49 0.07 -0.54 0.00 0.00 174.62 175.61 2mat h LYS 226 N 1.79 0.85 -0.32 3.99 -0.00 -0.99 -3.00 116.57 118.89 2mat h LYS 226 Ca -0.49 -0.46 0.00 0.00 -0.00 0.00 0.00 60.65 59.70 2mat h LYS 226 Cb 1.23 0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 2mat h LYS 226 CO 0.59 1.10 0.00 -0.40 -0.00 0.00 0.00 179.45 180.74 2mat n ASP 227 N -4.04 1.83 -1.29 7.07 5.68 -1.26 -4.90 116.55 119.64 2mat n ASP 227 Ca -0.02 -1.95 -0.16 0.00 -0.50 0.00 0.00 54.79 52.15 2mat n ASP 227 Cb 0.55 -0.21 -0.07 0.00 -1.14 0.00 0.00 41.12 40.25 2mat n ASP 227 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2mat n ARG 228 N 0.49 -1.15 -1.59 0.11 3.00 -1.13 -5.00 116.66 111.38 2mat n ARG 228 Ca 0.12 1.06 -0.29 0.00 -0.01 0.00 0.00 57.85 58.73 2mat n ARG 228 Cb 0.30 -5.27 0.11 0.00 0.00 0.00 0.00 32.46 27.60 2mat n ARG 228 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2mat s SER 229 N -2.80 4.08 0.53 0.55 1.04 -1.26 -4.78 113.70 111.06 2mat s SER 229 Ca 0.00 1.08 -0.19 0.00 0.48 0.00 0.00 55.95 57.32 2mat s SER 229 Cb 0.00 -1.72 -0.06 0.00 0.10 0.00 0.00 66.02 64.33 2mat s SER 229 CO 0.00 -2.21 1.10 -0.76 0.98 0.00 0.00 173.24 172.36 2mat s LEU 230 N -5.86 3.75 -0.01 2.42 1.43 -1.26 -4.17 118.68 114.98 2mat s LEU 230 Ca 0.62 2.10 0.02 0.00 -1.03 0.00 0.00 54.13 55.84 2mat s LEU 230 Cb -0.14 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.50 2mat s LEU 230 CO 0.53 -1.12 -0.07 -0.55 0.23 0.00 0.00 176.35 175.37 2mat s SER 231 N -1.88 0.91 0.14 2.29 0.15 -0.88 -0.62 113.70 113.81 2mat s SER 231 Ca 0.71 -0.14 0.05 0.00 0.70 0.00 0.00 55.95 57.27 2mat s SER 231 Cb -0.22 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 63.90 2mat s SER 231 CO 0.26 0.08 -0.12 0.00 1.20 0.00 0.00 173.24 174.66 2mat s ALA 232 N -0.04 1.50 -0.07 5.45 0.00 0.19 -4.74 121.76 124.06 2mat s ALA 232 Ca 0.01 -1.43 -0.22 0.00 0.00 0.00 0.00 51.96 50.32 2mat s ALA 232 Cb -0.05 -0.00 0.05 0.00 0.00 0.00 0.00 23.12 23.12 2mat s ALA 232 CO -0.00 -0.02 0.50 -1.14 0.00 0.00 0.00 175.76 175.10 2mat s GLN 233 N -3.35 0.80 0.04 0.00 0.74 -1.26 0.78 119.66 117.41 2mat s GLN 233 Ca 0.14 0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.75 2mat s GLN 233 Cb -0.00 0.37 -0.03 0.00 1.10 0.00 0.00 33.01 34.45 2mat s GLN 233 CO 0.02 -0.21 -0.05 0.71 -0.55 0.00 0.00 175.29 175.21 2mat s TYR 234 N -0.90 0.51 -0.09 1.67 1.51 -1.24 -4.00 117.35 114.81 2mat s TYR 234 Ca -0.09 -0.64 -0.09 0.00 -1.01 0.00 0.00 57.07 55.24 2mat s TYR 234 Cb -0.03 -0.33 0.02 0.00 -0.11 0.00 0.00 41.96 41.52 2mat s TYR 234 CO 0.06 -0.18 0.25 -2.00 -1.11 0.00 0.00 175.55 172.57 2mat s GLU 235 N -2.11 0.32 0.04 -0.62 2.12 -0.90 -3.41 118.70 114.14 2mat s GLU 235 Ca -0.08 0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.57 2mat s GLU 235 Cb -0.06 0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.46 2mat s GLU 235 CO -0.02 -0.04 -0.06 -1.01 -0.54 0.00 0.00 175.26 173.58 2mat s HIS 236 N 0.02 0.54 -0.17 5.30 3.76 -1.03 -2.75 115.29 120.96 2mat s HIS 236 Ca -0.01 -0.55 -0.10 0.00 -0.15 0.00 0.00 55.06 54.25 2mat s HIS 236 Cb -0.02 -0.33 -0.05 0.00 1.11 0.00 0.00 32.58 33.29 2mat s HIS 236 CO 0.01 -0.14 0.15 0.99 -0.85 0.00 0.00 174.74 174.90 2mat s THR 237 N -1.62 5.42 0.15 1.30 2.01 -1.23 -2.45 115.64 119.21 2mat s THR 237 Ca -0.10 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.14 2mat s THR 237 Cb -0.08 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 2mat s THR 237 CO -0.01 0.49 0.02 0.27 -0.69 0.00 0.00 174.62 174.71 2mat s ILE 238 N -0.09 0.43 -0.07 1.82 -4.36 -0.26 -0.51 121.20 118.15 2mat s ILE 238 Ca 0.11 -1.94 0.05 0.00 -0.26 0.00 0.00 60.65 58.61 2mat s ILE 238 Cb -0.12 -2.04 -0.00 0.00 1.25 0.00 0.00 42.46 41.55 2mat s ILE 238 CO 0.01 -0.52 -0.22 0.54 0.24 0.00 0.00 174.94 174.99 2mat s VAL 239 N -3.82 1.85 -0.01 8.37 0.11 -0.63 -1.77 120.40 124.50 2mat s VAL 239 Ca 0.23 -0.92 -0.30 0.00 -2.93 0.00 0.00 61.98 58.05 2mat s VAL 239 Cb 0.07 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.29 2mat s VAL 239 CO 0.02 0.52 1.09 -0.69 -3.33 0.00 0.00 175.10 172.70 2mat s VAL 240 N 0.17 4.50 0.35 2.04 1.01 -0.32 -1.46 120.40 126.68 2mat s VAL 240 Ca -0.11 1.80 0.04 0.00 0.00 0.00 0.00 61.98 63.71 2mat s VAL 240 Cb -0.15 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.12 2mat s VAL 240 CO 0.06 0.09 0.35 0.35 0.00 0.00 0.00 175.10 175.94 2mat n THR 241 N 4.15 0.00 -0.11 3.92 -2.24 0.07 -1.08 114.28 119.00 2mat n THR 241 Ca 0.08 -1.30 0.01 0.00 -2.27 0.00 0.00 64.05 60.58 2mat n THR 241 Cb 0.48 -0.39 0.31 0.00 -2.10 0.00 0.00 70.33 68.63 2mat n THR 241 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2mat h ASP 242 N 0.28 0.67 0.00 3.42 3.32 -1.97 -3.25 116.42 118.88 2mat h ASP 242 Ca -0.20 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2mat h ASP 242 Cb 0.78 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2mat h ASP 242 CO 0.30 0.53 -0.17 -0.46 -1.72 0.00 0.00 179.24 177.72 2mat n ASN 243 N -4.41 1.37 0.00 6.45 6.94 -1.26 -4.73 115.26 119.63 2mat n ASN 243 Ca 0.05 -2.51 0.00 0.00 -0.02 0.00 0.00 54.58 52.11 2mat n ASN 243 Cb 0.08 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 2mat n ASN 243 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2mat n GLY 244 N -0.78 -0.46 3.48 4.83 0.00 -1.23 -0.41 105.19 110.62 2mat n GLY 244 Ca 0.08 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 2mat n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mat s GLU 246 N -3.92 1.83 -0.38 0.00 2.12 -0.54 -1.32 118.70 116.50 2mat s GLU 246 Ca 0.13 -0.46 -0.20 0.00 0.36 0.00 0.00 54.97 54.80 2mat s GLU 246 Cb 0.00 -1.49 0.01 0.00 0.26 0.00 0.00 34.13 32.91 2mat s GLU 246 CO -0.01 0.04 0.63 0.42 -0.54 0.00 0.00 175.26 175.80 2mat s ILE 247 N 0.63 4.88 -0.02 -3.70 1.01 -0.22 -1.60 121.20 122.17 2mat s ILE 247 Ca -0.15 0.42 0.21 0.00 0.00 0.00 0.00 60.65 61.13 2mat s ILE 247 Cb -0.16 -4.11 0.19 0.00 0.01 0.00 0.00 42.46 38.39 2mat s ILE 247 CO 0.04 -0.39 1.68 -0.07 0.00 0.00 0.00 174.94 176.20 2mat h LEU 248 N 9.45 0.00 -3.55 2.97 3.38 -1.13 -3.30 115.31 123.13 2mat h LEU 248 Ca -0.26 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.37 2mat h LEU 248 Cb 1.11 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.65 2mat h LEU 248 CO 0.85 0.29 -0.03 0.35 0.09 0.00 0.00 178.44 179.99 2mat n THR 249 N -3.30 2.75 -1.99 0.22 -2.24 -1.22 -3.46 114.28 105.03 2mat n THR 249 Ca 0.01 -2.98 -0.40 0.00 -2.27 0.00 0.00 64.05 58.41 2mat n THR 249 Cb 0.54 -0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 68.18 2mat n THR 249 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2mat s LEU 250 N -3.39 4.29 0.40 3.22 2.96 -1.25 -4.69 118.68 120.21 2mat s LEU 250 Ca 0.49 2.77 0.08 0.00 -0.22 0.00 0.00 54.13 57.25 2mat s LEU 250 Cb 0.43 -3.79 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 2mat s LEU 250 CO 0.01 -0.80 0.20 -0.13 -1.32 0.00 0.00 176.35 174.31 2mat s ARG 251 N -2.11 2.29 0.55 1.98 0.52 -1.26 -4.92 118.95 116.01 2mat s ARG 251 Ca 0.54 -1.76 0.23 0.00 -0.52 0.00 0.00 55.73 54.22 2mat s ARG 251 Cb -0.41 -2.07 1.52 0.00 0.52 0.00 0.00 34.95 34.51 2mat s ARG 251 CO 0.54 -0.09 2.18 0.87 0.02 0.00 0.00 175.30 178.82 2mat h LYS 252 N 1.39 0.00 -0.01 3.54 6.56 -1.95 -2.05 116.57 124.05 2mat h LYS 252 Ca -0.43 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 2mat h LYS 252 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 2mat h LYS 252 CO 0.67 0.00 -0.22 -0.40 -2.06 0.00 0.00 179.45 177.44 2mat n ASP 253 N -4.22 1.07 -4.77 0.86 5.75 -1.26 -4.87 116.55 109.12 2mat n ASP 253 Ca -0.02 -0.96 -0.37 0.00 -0.01 0.00 0.00 54.79 53.42 2mat n ASP 253 Cb 0.12 0.11 -0.00 0.00 -1.03 0.00 0.00 41.12 40.32 2mat n ASP 253 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2mat s ASP 254 N -2.43 6.08 -0.24 -1.12 1.01 -0.77 -4.94 116.67 114.26 2mat s ASP 254 Ca 0.26 2.36 0.10 0.00 0.71 0.00 0.00 52.55 55.98 2mat s ASP 254 Cb 0.19 -2.61 0.45 0.00 1.01 0.00 0.00 42.92 41.97 2mat s ASP 254 CO 0.49 -0.98 1.31 0.35 0.21 0.00 0.00 175.17 176.55 2mat n THR 255 N -0.53 2.34 -4.51 -1.27 -2.24 -1.26 -4.92 114.28 101.89 2mat n THR 255 Ca 0.08 -3.07 -0.28 0.00 -2.27 0.00 0.00 64.05 58.51 2mat n THR 255 Cb 0.48 -0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 68.30 2mat n THR 255 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2mat s ILE 256 N -3.24 2.03 0.59 2.28 2.07 -1.26 -5.11 121.20 118.55 2mat s ILE 256 Ca 0.40 -1.56 -0.16 0.00 -1.41 0.00 0.00 60.65 57.92 2mat s ILE 256 Cb 0.38 -1.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.14 2mat s ILE 256 CO -0.05 0.13 1.06 -2.84 -1.91 0.00 0.00 174.94 171.33 2mat s PRO 257 N -1.74 3.34 0.26 3.50 0.02 -1.26 -4.95 135.00 134.16 2mat s PRO 257 Ca 0.11 1.23 0.02 0.00 0.02 0.00 0.00 61.00 62.38 2mat s PRO 257 Cb -0.10 -2.03 0.34 0.00 0.02 0.00 0.00 34.50 32.72 2mat s PRO 257 CO 0.04 -0.80 1.66 0.00 -0.33 0.00 0.00 177.00 177.57 2mat h ALA 258 N 0.52 0.99 -3.06 -1.55 0.00 -1.96 -3.41 119.26 110.78 2mat h ALA 258 Ca -0.47 -0.41 -0.66 0.00 0.00 0.00 0.00 54.91 53.37 2mat h ALA 258 Cb 1.22 -0.11 -0.28 0.00 0.00 0.00 0.00 17.79 18.62 2mat h ALA 258 CO 0.57 0.61 -0.75 0.42 0.00 0.00 0.00 179.25 180.11 2mat s ILE 259 N -4.26 3.17 -0.24 0.00 -1.09 -1.26 -1.06 121.20 116.46 2mat s ILE 259 Ca -0.06 -0.57 -0.06 0.00 -2.23 0.00 0.00 60.65 57.73 2mat s ILE 259 Cb 0.13 -2.41 -0.02 0.00 -1.58 0.00 0.00 42.46 38.58 2mat s ILE 259 CO 0.80 0.46 0.02 -0.63 -1.23 0.00 0.00 174.94 174.36 2mat s ILE 260 N 1.24 3.95 -0.06 2.92 1.01 -0.43 -5.02 121.20 124.80 2mat s ILE 260 Ca 0.03 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.42 2mat s ILE 260 Cb -0.14 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 2mat s ILE 260 CO -0.03 0.38 -0.17 -0.44 0.00 0.00 0.00 174.94 174.67 2mat s SER 261 N 1.52 3.73 -0.11 3.58 0.01 -1.26 -2.36 113.70 118.80 2mat s SER 261 Ca 0.06 -0.31 -0.00 0.00 1.31 0.00 0.00 55.95 57.01 2mat s SER 261 Cb -0.15 -0.92 -0.02 0.00 0.21 0.00 0.00 66.02 65.14 2mat s SER 261 CO 0.01 0.29 -0.10 -1.00 0.41 0.00 0.00 173.24 172.85 2mat s HIS 262 N -0.42 2.86 0.00 2.43 3.76 0.45 -5.00 115.29 119.36 2mat s HIS 262 Ca 0.05 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 2mat s HIS 262 Cb -0.12 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.75 2mat s HIS 262 CO 0.02 -0.04 0.00 -0.25 -0.85 0.00 0.00 174.74 173.62