#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1poi n TYR 4 N 0.00 0.00 0.03 2.11 0.18 -1.26 -4.45 117.16 113.77 1poi n TYR 4 Ca 0.00 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.81 1poi n TYR 4 Cb 0.00 0.00 0.05 0.00 -0.38 0.00 0.00 39.34 39.01 1poi n TYR 4 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1poi n THR 5 N 0.00 0.61 -3.04 -3.48 -2.24 -1.26 -4.64 114.28 100.23 1poi n THR 5 Ca 0.00 -0.81 -0.44 0.00 -2.27 0.00 0.00 64.05 60.53 1poi n THR 5 Cb 0.00 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1poi n THR 5 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1poi n ASN 6 N 0.10 5.59 -4.79 3.42 4.05 -1.26 -5.02 115.26 117.35 1poi n ASN 6 Ca 0.04 -3.11 -0.36 0.00 0.45 0.00 0.00 54.58 51.60 1poi n ASN 6 Cb 0.25 -1.42 -0.06 0.00 1.23 0.00 0.00 39.78 39.78 1poi n ASN 6 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1poi s TYR 7 N -0.69 3.54 0.54 1.20 -0.85 -1.26 -4.86 117.35 114.96 1poi s TYR 7 Ca 0.35 1.72 -0.03 0.00 -0.52 0.00 0.00 57.07 58.60 1poi s TYR 7 Cb -0.03 -2.93 0.01 0.00 0.38 0.00 0.00 41.96 39.39 1poi s TYR 7 CO -0.01 0.01 0.80 0.95 -1.52 0.00 0.00 175.55 175.79 1poi s THR 8 N -1.76 3.55 0.24 -3.49 -4.23 -1.26 -4.95 115.64 103.73 1poi s THR 8 Ca 0.54 -0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 60.71 1poi s THR 8 Cb -0.17 -3.37 0.14 0.00 1.34 0.00 0.00 72.50 70.45 1poi s THR 8 CO 0.22 -0.32 1.78 -1.13 -0.54 0.00 0.00 174.62 174.63 1poi h ASN 9 N 0.05 0.94 -0.80 3.99 -0.73 -1.97 -1.48 115.58 115.58 1poi h ASN 9 Ca -0.45 -0.18 -0.04 0.00 1.87 0.00 0.00 56.30 57.50 1poi h ASN 9 Cb 1.26 -0.25 -0.04 0.00 0.27 0.00 0.00 38.32 39.57 1poi h ASN 9 CO 0.58 0.89 0.33 0.11 -0.37 0.00 0.00 177.43 178.98 1poi h LYS 10 N 0.96 1.18 -0.41 6.67 1.57 -1.96 -1.40 116.57 123.18 1poi h LYS 10 Ca 0.21 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1poi h LYS 10 Cb 0.31 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1poi h LYS 10 CO -0.00 0.95 -0.09 0.93 -0.57 0.00 0.00 179.45 180.66 1poi h GLU 11 N 1.15 0.71 -0.33 3.15 5.08 -1.85 0.33 114.58 122.82 1poi h GLU 11 Ca 0.27 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1poi h GLU 11 Cb 0.19 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1poi h GLU 11 CO -0.02 0.78 0.19 1.98 -1.00 0.00 0.00 179.01 180.94 1poi h MET 12 N 0.65 0.45 0.11 2.33 4.05 -0.76 -0.45 114.93 121.31 1poi h MET 12 Ca 0.12 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1poi h MET 12 Cb 0.54 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1poi h MET 12 CO 0.03 0.36 -0.05 1.96 0.23 0.00 0.00 176.91 179.44 1poi h GLN 13 N 0.42 -0.14 -0.14 0.39 4.20 -0.85 -1.18 115.11 117.81 1poi h GLN 13 Ca 0.12 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.88 1poi h GLN 13 Cb 0.03 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1poi h GLN 13 CO -0.02 0.09 0.13 0.00 -0.67 0.00 0.00 178.83 178.36 1poi h ALA 14 N 0.49 1.90 0.18 3.87 0.00 -0.21 0.67 119.26 126.16 1poi h ALA 14 Ca -0.02 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 1poi h ALA 14 Cb 0.30 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.13 1poi h ALA 14 CO 0.02 -0.20 -1.06 0.28 0.00 0.00 0.00 179.25 178.29 1poi h VAL 15 N 0.00 1.43 -0.41 0.00 2.07 -0.79 -2.85 116.25 115.70 1poi h VAL 15 Ca 0.07 -2.60 -0.03 0.00 0.82 0.00 0.00 66.70 64.96 1poi h VAL 15 Cb 0.32 3.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1poi h VAL 15 CO -0.00 0.75 0.12 0.00 0.02 0.00 0.00 177.57 178.47 1poi h THR 16 N -0.17 1.17 0.60 2.57 1.03 -0.43 -0.81 112.91 116.86 1poi h THR 16 Ca -0.19 -0.59 -0.03 0.00 -0.01 0.00 0.00 66.41 65.59 1poi h THR 16 Cb 1.84 0.73 0.01 0.00 -1.07 0.00 0.00 68.15 69.66 1poi h THR 16 CO 0.20 0.22 -0.29 0.40 -0.01 0.00 0.00 175.52 176.04 1poi h ILE 17 N 0.59 0.35 -0.25 0.00 2.04 -0.97 -2.96 117.51 116.31 1poi h ILE 17 Ca 0.14 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1poi h ILE 17 Cb 0.19 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1poi h ILE 17 CO -0.01 0.03 0.28 0.00 0.00 0.00 0.00 178.15 178.45 1poi h ALA 18 N -0.64 1.89 0.00 1.87 0.00 -1.17 0.15 119.26 121.36 1poi h ALA 18 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1poi h ALA 18 Cb 0.66 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1poi h ALA 18 CO 0.13 -0.40 0.00 1.63 0.00 0.00 0.00 179.25 180.61 1poi n LYS 19 N -3.75 0.16 0.01 0.00 5.02 -0.36 -3.28 118.16 115.95 1poi n LYS 19 Ca 0.03 0.07 0.11 0.00 -2.02 0.00 0.00 58.31 56.50 1poi n LYS 19 Cb 0.41 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 1poi n LYS 19 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1poi n GLN 20 N -1.41 0.26 -2.58 1.97 1.13 0.53 -4.85 117.38 112.43 1poi n GLN 20 Ca 0.08 -0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.68 1poi n GLN 20 Cb 0.25 -1.54 -0.03 0.00 0.11 0.00 0.00 30.24 29.03 1poi n GLN 20 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1poi s ILE 21 N -3.19 3.88 0.89 5.09 -1.09 -1.20 -5.01 121.20 120.56 1poi s ILE 21 Ca 0.03 0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 58.89 1poi s ILE 21 Cb 0.15 -4.83 0.12 0.00 -1.58 0.00 0.00 42.46 36.33 1poi s ILE 21 CO 0.85 -1.63 1.09 -0.54 -1.23 0.00 0.00 174.94 173.48 1poi s LYS 22 N 5.32 1.33 0.26 2.79 1.02 -1.26 -4.53 119.74 124.67 1poi s LYS 22 Ca 0.37 1.03 -0.30 0.00 0.02 0.00 0.00 55.97 57.10 1poi s LYS 22 Cb -0.08 -1.80 -0.09 0.00 -0.52 0.00 0.00 37.83 35.33 1poi s LYS 22 CO 0.19 -2.25 1.03 1.21 -0.92 0.00 0.00 175.35 174.60 1poi s ASN 23 N -3.23 7.43 0.00 2.83 2.47 -1.26 -3.73 114.94 119.46 1poi s ASN 23 Ca 0.64 2.12 0.00 0.00 0.42 0.00 0.00 52.86 56.04 1poi s ASN 23 Cb -0.19 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 36.99 1poi s ASN 23 CO 0.57 -0.01 0.00 0.61 -3.72 0.00 0.00 177.10 174.55 1poi n GLY 24 N 1.31 2.73 3.84 1.21 0.00 -0.90 -4.89 105.19 108.49 1poi n GLY 24 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1poi n GLY 24 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1poi s GLN 25 N -0.19 3.49 -0.12 1.61 -2.07 -1.24 -4.63 119.66 116.49 1poi s GLN 25 Ca 0.00 0.94 -0.17 0.00 -1.82 0.00 0.00 55.36 54.32 1poi s GLN 25 Cb 0.00 -2.06 -0.04 0.00 -1.09 0.00 0.00 33.01 29.81 1poi s GLN 25 CO 0.00 -0.66 0.42 0.08 -1.32 0.00 0.00 175.29 173.81 1poi s VAL 26 N -2.85 5.21 -0.18 3.63 1.01 0.14 -1.14 120.40 126.22 1poi s VAL 26 Ca 0.58 0.83 0.01 0.00 0.00 0.00 0.00 61.98 63.40 1poi s VAL 26 Cb -0.12 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1poi s VAL 26 CO 0.45 0.36 -0.19 -0.69 0.00 0.00 0.00 175.10 175.03 1poi s VAL 27 N 0.44 2.17 -0.23 2.92 1.01 0.16 -0.57 120.40 126.31 1poi s VAL 27 Ca 0.23 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1poi s VAL 27 Cb -0.15 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1poi s VAL 27 CO 0.09 0.53 0.41 -0.89 0.00 0.00 0.00 175.10 175.24 1poi s THR 28 N 1.29 5.17 0.20 3.92 2.01 -0.42 -0.64 115.64 127.16 1poi s THR 28 Ca 0.05 0.71 -0.02 0.00 0.31 0.00 0.00 61.69 62.73 1poi s THR 28 Cb -0.13 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1poi s THR 28 CO -0.12 0.20 0.17 0.68 -0.69 0.00 0.00 174.62 174.86 1poi s VAL 29 N 1.67 0.01 0.00 3.82 -7.23 -1.10 -1.62 120.40 115.95 1poi s VAL 29 Ca 0.18 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1poi s VAL 29 Cb -0.15 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1poi s VAL 29 CO 0.09 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1poi n GLY 30 N -0.27 0.83 0.00 2.32 0.00 -1.26 -4.59 105.19 102.22 1poi n GLY 30 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1poi n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1poi n THR 31 N 0.00 0.00 -3.48 2.61 -2.24 -1.26 -4.67 114.28 105.24 1poi n THR 31 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1poi n THR 31 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1poi n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1poi n GLY 32 N 1.80 -1.58 0.23 3.38 0.00 -1.26 -4.06 105.19 103.70 1poi n GLY 32 Ca 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 46.02 44.59 1poi n GLY 32 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1poi h LEU 33 N 0.00 0.41 -1.46 0.99 3.38 -1.97 -2.09 115.31 114.57 1poi h LEU 33 Ca 0.00 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1poi h LEU 33 Cb 0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1poi h LEU 33 CO 0.00 0.27 0.43 -0.65 0.09 0.00 0.00 178.44 178.59 1poi h PRO 34 N 0.56 0.63 -0.51 1.13 0.11 -1.97 0.42 132.00 132.36 1poi h PRO 34 Ca 0.27 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.26 1poi h PRO 34 Cb 0.21 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1poi h PRO 34 CO -0.20 0.42 -0.02 1.25 -0.21 0.00 0.00 178.00 179.25 1poi h LEU 35 N 0.65 0.91 0.63 2.35 5.85 -1.53 0.12 115.31 124.29 1poi h LEU 35 Ca 0.28 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1poi h LEU 35 Cb 0.28 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1poi h LEU 35 CO -0.09 1.00 -0.38 0.40 -0.34 0.00 0.00 178.44 179.04 1poi h ILE 36 N 0.79 0.23 -0.96 4.05 1.08 -0.87 0.43 117.51 122.27 1poi h ILE 36 Ca 0.14 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.79 1poi h ILE 36 Cb 0.55 0.23 -0.10 0.00 -3.07 0.00 0.00 36.82 34.43 1poi h ILE 36 CO 0.03 0.00 0.56 1.23 -0.69 0.00 0.00 178.15 179.28 1poi h GLY 37 N -0.95 1.67 0.81 5.37 0.00 -0.70 0.77 103.07 110.05 1poi h GLY 37 Ca -0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1poi h GLY 37 CO 0.09 -0.06 0.02 0.00 0.00 0.00 0.00 176.54 176.59 1poi h ALA 38 N 1.62 0.07 -0.83 3.60 0.00 -0.44 -1.73 119.26 121.55 1poi h ALA 38 Ca 0.55 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.47 1poi h ALA 38 Cb 0.83 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1poi h ALA 38 CO -0.38 -0.31 0.54 0.77 0.00 0.00 0.00 179.25 179.87 1poi h SER 39 N -0.11 0.60 -0.10 0.00 0.02 0.13 0.11 113.55 114.20 1poi h SER 39 Ca 0.02 0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.77 1poi h SER 39 Cb 0.22 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.68 1poi h SER 39 CO -0.00 0.33 -0.82 0.58 -1.14 0.00 0.00 176.83 175.77 1poi h VAL 40 N 0.65 1.29 -0.09 2.27 2.07 -0.88 -2.28 116.25 119.28 1poi h VAL 40 Ca 0.40 -2.04 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 1poi h VAL 40 Cb 0.64 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1poi h VAL 40 CO -0.16 0.64 -0.04 0.00 0.02 0.00 0.00 177.57 178.02 1poi h ALA 41 N 0.49 0.12 -0.81 1.67 0.00 -0.76 -0.40 119.26 119.58 1poi h ALA 41 Ca -0.07 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 54.77 1poi h ALA 41 Cb 1.47 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.11 1poi h ALA 41 CO 0.17 -0.12 0.29 -0.22 0.00 0.00 0.00 179.25 179.37 1poi h LYS 42 N -0.19 0.35 0.05 0.00 1.63 -0.88 0.31 116.57 117.84 1poi h LYS 42 Ca 0.02 -0.02 -0.25 0.00 -0.85 0.00 0.00 60.65 59.55 1poi h LYS 42 Cb 0.49 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1poi h LYS 42 CO 0.01 0.23 -1.07 0.00 -3.45 0.00 0.00 179.45 175.17 1poi h ARG 43 N 0.36 0.42 0.00 1.90 3.08 -1.27 -3.23 114.38 115.64 1poi h ARG 43 Ca 0.47 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1poi h ARG 43 Cb 0.83 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1poi h ARG 43 CO -0.50 1.19 -0.01 1.33 -1.07 0.00 0.00 179.97 180.90 1poi n VAL 44 N -3.70 0.93 -0.09 2.04 0.24 -0.17 -4.84 118.33 112.73 1poi n VAL 44 Ca -0.08 0.31 -0.10 0.00 -2.04 0.00 0.00 64.34 62.42 1poi n VAL 44 Cb 0.91 -1.33 -0.03 0.00 -1.47 0.00 0.00 33.84 31.92 1poi n VAL 44 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1poi h TYR 45 N 0.00 0.49 -2.44 6.34 -1.99 -1.45 -3.39 116.97 114.52 1poi h TYR 45 Ca 0.00 -0.06 -0.59 0.00 2.00 0.00 0.00 58.73 60.08 1poi h TYR 45 Cb 0.01 -0.14 -0.38 0.00 2.00 0.00 0.00 36.73 38.22 1poi h TYR 45 CO 0.00 0.53 -0.93 0.00 -0.00 0.00 0.00 178.16 177.76 1poi s ALA 46 N -5.28 1.60 0.42 3.88 0.00 0.99 -4.81 121.76 118.56 1poi s ALA 46 Ca -0.13 -2.55 0.15 0.00 0.00 0.00 0.00 51.96 49.42 1poi s ALA 46 Cb 0.08 -1.65 1.03 0.00 0.00 0.00 0.00 23.12 22.58 1poi s ALA 46 CO 0.74 -1.99 1.91 -1.35 0.00 0.00 0.00 175.76 175.07 1poi h PRO 47 N 5.69 0.43 -0.88 0.00 0.11 -1.63 -2.92 132.00 132.80 1poi h PRO 47 Ca 0.25 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.74 1poi h PRO 47 Cb 0.90 -0.10 -0.32 0.00 0.11 0.00 0.00 31.00 31.60 1poi h PRO 47 CO 0.40 0.28 0.31 -0.40 -0.21 0.00 0.00 178.00 178.38 1poi n ASP 48 N -4.49 6.19 -4.93 -2.05 5.68 -1.26 -4.89 116.55 110.79 1poi n ASP 48 Ca 0.15 -3.77 -0.25 0.00 -0.50 0.00 0.00 54.79 50.42 1poi n ASP 48 Cb 0.53 -0.76 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 1poi n ASP 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1poi s HIS 50 N -2.59 1.46 -0.04 0.00 3.76 -0.29 -4.87 115.29 112.72 1poi s HIS 50 Ca 0.46 -0.65 -0.20 0.00 -0.15 0.00 0.00 55.06 54.52 1poi s HIS 50 Cb -0.10 -1.15 -0.05 0.00 1.11 0.00 0.00 32.58 32.39 1poi s HIS 50 CO 0.40 -0.41 0.58 0.42 -0.85 0.00 0.00 174.74 174.88 1poi s ILE 51 N 1.27 5.00 0.01 0.60 1.01 -1.26 0.40 121.20 128.23 1poi s ILE 51 Ca -0.03 1.21 0.03 0.00 0.00 0.00 0.00 60.65 61.85 1poi s ILE 51 Cb -0.14 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 1poi s ILE 51 CO -0.03 0.37 -0.08 0.27 0.00 0.00 0.00 174.94 175.47 1poi s ILE 52 N 0.15 0.62 0.02 2.92 -4.36 0.18 -0.65 121.20 120.09 1poi s ILE 52 Ca 0.31 -0.57 0.08 0.00 -0.26 0.00 0.00 60.65 60.22 1poi s ILE 52 Cb -0.17 -0.57 -0.02 0.00 1.25 0.00 0.00 42.46 42.95 1poi s ILE 52 CO 0.16 0.01 -0.25 0.68 0.24 0.00 0.00 174.94 175.78 1poi s VAL 53 N -0.53 1.98 0.10 8.37 -7.23 -0.69 -2.71 120.40 119.69 1poi s VAL 53 Ca -0.00 -1.24 0.06 0.00 -1.81 0.00 0.00 61.98 58.98 1poi s VAL 53 Cb -0.05 -1.68 0.06 0.00 0.56 0.00 0.00 36.38 35.27 1poi s VAL 53 CO 0.00 0.40 0.97 -1.84 -0.31 0.00 0.00 175.10 174.32 1poi n GLU 54 N 2.02 0.05 -0.16 4.82 0.28 -1.26 -0.50 120.64 125.88 1poi n GLU 54 Ca -0.17 0.47 0.07 0.00 -0.16 0.00 0.00 57.16 57.37 1poi n GLU 54 Cb 0.52 -2.14 0.21 0.00 1.43 0.00 0.00 31.44 31.46 1poi n GLU 54 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1poi n SER 55 N -1.79 1.89 0.00 -1.84 3.41 -1.26 -4.85 113.62 109.17 1poi n SER 55 Ca -0.00 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1poi n SER 55 Cb 0.50 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1poi n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1poi n GLY 56 N 1.09 0.74 3.51 5.00 0.00 0.34 -4.14 105.19 111.72 1poi n GLY 56 Ca 0.13 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1poi n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1poi s LEU 57 N 0.00 4.65 -0.18 0.99 1.43 -1.07 0.17 118.68 124.66 1poi s LEU 57 Ca 0.00 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 1poi s LEU 57 Cb 0.00 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1poi s LEU 57 CO 0.00 -0.65 0.31 -0.04 0.23 0.00 0.00 176.35 176.21 1poi s MET 58 N 2.44 4.22 -0.51 1.70 -1.94 0.14 -1.71 119.30 123.64 1poi s MET 58 Ca 0.17 0.09 -0.07 0.00 -1.71 0.00 0.00 55.69 54.17 1poi s MET 58 Cb -0.16 -3.47 0.01 0.00 2.01 0.00 0.00 34.83 33.22 1poi s MET 58 CO 0.16 0.14 0.56 -3.47 -0.01 0.00 0.00 175.02 172.40 1poi n ASP 59 N 3.91 -7.09 -4.88 3.03 2.03 -0.68 -0.57 116.55 112.31 1poi n ASP 59 Ca -0.11 0.20 -0.32 0.00 0.52 0.00 0.00 54.79 55.08 1poi n ASP 59 Cb 0.52 -4.77 -0.05 0.00 -0.72 0.00 0.00 41.12 36.09 1poi n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1poi s SER 61 N -2.29 -0.30 0.78 0.00 0.15 -0.41 -4.39 113.70 107.25 1poi s SER 61 Ca 0.44 -2.24 -0.12 0.00 0.70 0.00 0.00 55.95 54.74 1poi s SER 61 Cb -0.12 0.97 0.07 0.00 -1.71 0.00 0.00 66.02 65.23 1poi s SER 61 CO 0.22 -0.10 1.12 -2.84 1.20 0.00 0.00 173.24 172.83 1poi s PRO 62 N 0.58 2.02 0.00 5.44 0.02 -1.26 -4.76 135.00 137.05 1poi s PRO 62 Ca 0.31 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.69 1poi s PRO 62 Cb 0.01 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1poi s PRO 62 CO -0.11 -1.85 0.00 0.28 -0.33 0.00 0.00 177.00 175.00 1poi n VAL 63 N -3.43 0.00 -2.12 3.83 0.31 -1.26 -4.93 118.33 110.73 1poi n VAL 63 Ca 0.10 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.02 1poi n VAL 63 Cb 0.52 -0.36 -0.03 0.00 -0.91 0.00 0.00 33.84 33.06 1poi n VAL 63 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1poi s GLU 64 N 0.09 4.33 0.35 5.55 2.12 -1.26 -4.93 118.70 124.95 1poi s GLU 64 Ca 0.00 2.17 -0.29 0.00 0.36 0.00 0.00 54.97 57.21 1poi s GLU 64 Cb 0.00 -3.16 -0.11 0.00 0.26 0.00 0.00 34.13 31.12 1poi s GLU 64 CO 0.00 -0.35 1.52 0.14 -0.54 0.00 0.00 175.26 176.03 1poi s VAL 65 N 0.19 2.05 0.57 3.70 -7.23 -1.26 -4.88 120.40 113.53 1poi s VAL 65 Ca 0.59 0.05 -0.16 0.00 -1.81 0.00 0.00 61.98 60.65 1poi s VAL 65 Cb -0.39 -3.03 -0.05 0.00 0.56 0.00 0.00 36.38 33.47 1poi s VAL 65 CO 0.39 0.01 1.04 -2.84 -0.31 0.00 0.00 175.10 173.39 1poi s PRO 66 N -1.68 3.49 -0.20 4.82 0.02 -1.26 -5.01 135.00 135.17 1poi s PRO 66 Ca 0.55 1.15 0.16 0.00 0.02 0.00 0.00 61.00 62.88 1poi s PRO 66 Cb -0.47 -2.06 -0.23 0.00 0.02 0.00 0.00 34.50 31.76 1poi s PRO 66 CO 0.59 -0.67 0.03 0.54 -0.33 0.00 0.00 177.00 177.17 1poi n ARG 67 N -1.88 0.76 -4.11 5.54 5.12 -1.26 -4.76 116.66 116.06 1poi n ARG 67 Ca 0.08 0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.87 1poi n ARG 67 Cb 0.53 -1.51 -0.11 0.00 -1.16 0.00 0.00 32.46 30.21 1poi n ARG 67 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1poi s SER 68 N -5.55 1.17 0.00 0.55 1.04 -1.26 -4.86 113.70 104.80 1poi s SER 68 Ca -0.13 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1poi s SER 68 Cb 0.06 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1poi s SER 68 CO 0.78 -0.19 0.29 1.33 0.98 0.00 0.00 173.24 176.43 1poi n VAL 69 N 1.22 0.00 -0.94 5.02 0.24 -1.26 -1.92 118.33 120.69 1poi n VAL 69 Ca -0.21 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.10 1poi n VAL 69 Cb 0.55 -0.27 0.02 0.00 -1.47 0.00 0.00 33.84 32.67 1poi n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1poi n GLY 70 N 0.02 0.09 3.73 7.63 0.00 -1.26 -4.39 105.19 111.02 1poi n GLY 70 Ca 0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1poi n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1poi s ASP 71 N -0.77 4.53 0.54 1.61 -1.08 -0.81 -4.81 116.67 115.88 1poi s ASP 71 Ca 0.04 2.40 0.34 0.00 -0.52 0.00 0.00 52.55 54.80 1poi s ASP 71 Cb 0.03 -2.60 1.43 0.00 -1.46 0.00 0.00 42.92 40.32 1poi s ASP 71 CO 0.00 -2.04 1.99 -0.07 0.52 0.00 0.00 175.17 175.58 1poi h LEU 72 N 0.14 0.00 -2.23 -1.34 3.38 -1.97 -0.66 115.31 112.63 1poi h LEU 72 Ca -0.49 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1poi h LEU 72 Cb 1.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1poi h LEU 72 CO 0.52 0.00 -0.03 0.03 0.09 0.00 0.00 178.44 179.05 1poi h ARG 73 N 0.00 0.00 0.00 1.13 3.08 -1.90 -1.04 114.38 115.65 1poi h ARG 73 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 1poi h ARG 73 Cb 0.45 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1poi h ARG 73 CO 0.00 0.03 -1.74 1.19 -1.07 0.00 0.00 179.97 178.37 1poi n PHE 74 N -4.05 0.15 -0.28 3.04 3.72 -0.61 -4.34 117.46 115.09 1poi n PHE 74 Ca -0.03 0.07 0.10 0.00 -0.05 0.00 0.00 57.45 57.53 1poi n PHE 74 Cb 0.11 -0.81 0.24 0.00 -0.94 0.00 0.00 39.48 38.08 1poi n PHE 74 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1poi h MET 75 N -1.00 0.19 -0.00 -1.08 4.05 -1.07 0.10 114.93 116.12 1poi h MET 75 Ca -0.37 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.04 1poi h MET 75 Cb 1.29 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 1poi h MET 75 CO -0.23 0.12 -0.03 0.00 0.23 0.00 0.00 176.91 177.01 1poi n ALA 76 N -2.77 2.56 -3.17 0.39 0.00 -0.40 -4.13 120.51 112.98 1poi n ALA 76 Ca 0.18 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1poi n ALA 76 Cb 0.59 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 1poi n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1poi n HIS 77 N -1.22 1.07 -4.06 0.00 8.25 0.35 -5.07 115.22 114.54 1poi n HIS 77 Ca 0.14 -3.81 -0.10 0.00 -0.26 0.00 0.00 57.72 53.69 1poi n HIS 77 Cb 0.25 -0.43 -0.08 0.00 1.12 0.00 0.00 29.99 30.85 1poi n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1poi h GLY 79 N 2.57 0.45 -6.70 0.00 0.00 0.13 -3.47 103.07 96.05 1poi h GLY 79 Ca -0.32 -1.15 -0.30 0.00 0.00 0.00 0.00 47.33 45.56 1poi h GLY 79 CO 0.49 1.00 -0.69 0.00 0.00 0.00 0.00 176.54 177.35 1poi s ILE 81 N 1.53 5.19 0.39 0.00 1.01 -1.26 0.26 121.20 128.32 1poi s ILE 81 Ca -0.04 -2.02 0.01 0.00 0.00 0.00 0.00 60.65 58.60 1poi s ILE 81 Cb -0.12 -4.60 -0.02 0.00 0.01 0.00 0.00 42.46 37.73 1poi s ILE 81 CO -0.04 -1.24 0.59 0.26 0.00 0.00 0.00 174.94 174.51 1poi s TRP 82 N 1.37 3.34 0.53 3.97 0.51 0.13 -5.00 118.94 123.78 1poi s TRP 82 Ca 0.24 0.24 -0.19 0.00 -2.12 0.00 0.00 56.10 54.27 1poi s TRP 82 Cb -0.08 -2.09 -0.06 0.00 -0.81 0.00 0.00 33.47 30.42 1poi s TRP 82 CO -0.08 -0.11 1.08 -2.14 -0.51 0.00 0.00 176.95 175.19 1poi s PRO 83 N -4.41 3.52 0.21 4.98 0.02 -1.26 -4.33 135.00 133.73 1poi s PRO 83 Ca 0.44 1.45 -0.13 0.00 0.02 0.00 0.00 61.00 62.78 1poi s PRO 83 Cb -0.10 -2.04 0.26 0.00 0.02 0.00 0.00 34.50 32.64 1poi s PRO 83 CO 0.36 -0.68 1.64 -0.91 -0.33 0.00 0.00 177.00 177.08 1poi h ASN 84 N 1.22 -0.49 -0.86 2.53 4.21 -1.89 -1.99 115.58 118.31 1poi h ASN 84 Ca -0.49 0.18 0.19 0.00 1.21 0.00 0.00 56.30 57.39 1poi h ASN 84 Cb 1.24 0.35 -0.11 0.00 -1.12 0.00 0.00 38.32 38.68 1poi h ASN 84 CO 0.58 -0.18 0.38 -0.37 -1.29 0.00 0.00 177.43 176.54 1poi h VAL 85 N 0.03 0.55 -0.01 2.81 -1.51 -1.93 0.13 116.25 116.33 1poi h VAL 85 Ca 0.31 -0.15 -0.02 0.00 -1.23 0.00 0.00 66.70 65.61 1poi h VAL 85 Cb 0.49 0.07 -0.00 0.00 -2.13 0.00 0.00 31.29 29.72 1poi h VAL 85 CO -0.61 0.08 -0.07 0.03 -1.23 0.00 0.00 177.57 175.76 1poi h ARG 86 N 0.44 0.02 -0.06 5.19 3.08 -1.73 0.19 114.38 121.51 1poi h ARG 86 Ca 0.51 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.55 1poi h ARG 86 Cb 0.90 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 1poi h ARG 86 CO -0.48 0.09 0.02 0.35 -1.07 0.00 0.00 179.97 178.88 1poi h PHE 87 N 0.02 0.11 -0.63 3.04 3.57 -0.73 0.44 116.94 122.76 1poi h PHE 87 Ca 0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1poi h PHE 87 Cb 0.14 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1poi h PHE 87 CO 0.00 0.27 0.21 0.28 -2.23 0.00 0.00 178.31 176.84 1poi h VAL 88 N -0.09 1.23 -0.53 1.41 2.07 -1.19 -0.71 116.25 118.45 1poi h VAL 88 Ca 0.02 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1poi h VAL 88 Cb 0.22 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1poi h VAL 88 CO -0.00 0.31 0.28 1.23 0.02 0.00 0.00 177.57 179.40 1poi h GLY 89 N 1.02 0.77 0.62 2.17 0.00 -0.16 -2.66 103.07 104.84 1poi h GLY 89 Ca 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1poi h GLY 89 CO -0.01 0.32 -0.14 -2.75 0.00 0.00 0.00 176.54 173.96 1poi h PHE 90 N 0.73 -0.36 -0.75 5.60 3.04 0.10 -2.07 116.94 123.22 1poi h PHE 90 Ca 0.19 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.18 1poi h PHE 90 Cb 0.04 0.12 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 1poi h PHE 90 CO 0.00 -0.02 0.49 1.05 -2.02 0.00 0.00 178.31 177.82 1poi h GLU 91 N -0.78 0.81 0.33 1.11 4.11 -1.05 -1.72 114.58 117.40 1poi h GLU 91 Ca -0.04 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 1poi h GLU 91 Cb 0.51 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1poi h GLU 91 CO 0.07 0.54 -0.16 0.82 0.07 0.00 0.00 179.01 180.35 1poi h ILE 92 N 0.84 0.67 -0.90 -1.06 2.04 -1.50 -3.14 117.51 114.45 1poi h ILE 92 Ca 0.32 -0.50 0.14 0.00 1.00 0.00 0.00 64.86 65.82 1poi h ILE 92 Cb 0.18 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 1poi h ILE 92 CO -0.10 0.10 0.58 0.78 0.00 0.00 0.00 178.15 179.50 1poi h ASN 93 N -0.73 0.68 -1.00 1.72 2.35 -1.10 0.21 115.58 117.70 1poi h ASN 93 Ca -0.05 0.04 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 1poi h ASN 93 Cb 0.50 -0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.69 1poi h ASN 93 CO 0.07 0.34 0.64 -0.33 -1.65 0.00 0.00 177.43 176.50 1poi h GLU 94 N 0.72 1.00 -0.28 0.81 4.39 -1.29 1.34 114.58 121.27 1poi h GLU 94 Ca 0.45 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.96 1poi h GLU 94 Cb 0.70 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1poi h GLU 94 CO -0.21 0.66 -0.33 -0.92 -1.16 0.00 0.00 179.01 177.05 1poi h TYR 95 N 1.03 0.88 -0.32 4.33 5.03 -0.60 -0.76 116.97 126.56 1poi h TYR 95 Ca 0.48 -0.28 -0.14 0.00 2.58 0.00 0.00 58.73 61.37 1poi h TYR 95 Cb 0.43 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 1poi h TYR 95 CO -0.00 1.04 -0.38 -0.07 -1.32 0.00 0.00 178.16 177.43 1poi h LEU 96 N 0.46 0.80 -0.44 2.82 3.38 0.21 -2.74 115.31 119.80 1poi h LEU 96 Ca 0.04 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1poi h LEU 96 Cb 0.91 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1poi h LEU 96 CO 0.08 1.09 0.00 0.45 0.09 0.00 0.00 178.44 180.15 1poi h HIS 97 N 0.63 0.00 -4.71 1.13 3.86 0.17 -3.46 115.15 112.77 1poi h HIS 97 Ca 0.06 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.89 1poi h HIS 97 Cb 0.92 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.48 1poi h HIS 97 CO 0.05 0.00 -0.59 1.63 0.86 0.00 0.00 177.93 179.88 1poi n LYS 98 N -2.66 -5.73 0.25 2.45 5.02 -0.38 -4.87 118.16 112.24 1poi n LYS 98 Ca 0.03 0.82 0.09 0.00 -2.02 0.00 0.00 58.31 57.23 1poi n LYS 98 Cb 0.39 -5.60 0.65 0.00 -0.02 0.00 0.00 35.03 30.44 1poi n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1poi h ALA 99 N 0.94 1.68 -6.86 7.82 0.00 -1.60 -3.47 119.26 117.78 1poi h ALA 99 Ca -0.51 -0.08 -0.57 0.00 0.00 0.00 0.00 54.91 53.74 1poi h ALA 99 Cb 1.34 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 1poi h ALA 99 CO 0.53 0.12 -0.93 -1.71 0.00 0.00 0.00 179.25 177.25 1poi n ASN 100 N -4.19 0.06 0.00 0.00 5.15 -1.26 -4.82 115.26 110.20 1poi n ASN 100 Ca -0.03 -1.16 0.00 0.00 -0.60 0.00 0.00 54.58 52.79 1poi n ASN 100 Cb 0.17 -2.20 0.00 0.00 -0.53 0.00 0.00 39.78 37.22 1poi n ASN 100 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1poi n ARG 101 N -4.48 0.28 -3.85 1.20 1.85 -1.26 -5.08 116.66 105.32 1poi n ARG 101 Ca -0.27 -0.47 -0.37 0.00 -1.00 0.00 0.00 57.85 55.74 1poi n ARG 101 Cb 0.67 -0.59 -0.06 0.00 -1.05 0.00 0.00 32.46 31.43 1poi n ARG 101 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1poi s LEU 102 N -0.11 4.39 -0.00 2.89 2.96 -1.26 0.25 118.68 127.79 1poi s LEU 102 Ca 0.00 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 1poi s LEU 102 Cb 0.00 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.51 1poi s LEU 102 CO 0.00 0.38 -0.02 -0.51 -1.32 0.00 0.00 176.35 174.89 1poi s ILE 103 N -1.07 0.17 0.07 6.68 1.10 0.27 -4.40 121.20 124.02 1poi s ILE 103 Ca 0.17 -0.07 0.04 0.00 -0.51 0.00 0.00 60.65 60.28 1poi s ILE 103 Cb -0.12 -0.16 -0.03 0.00 0.15 0.00 0.00 42.46 42.29 1poi s ILE 103 CO 0.07 0.06 -0.12 0.00 -2.11 0.00 0.00 174.94 172.84 1poi s ALA 104 N 0.06 1.04 -0.14 1.50 0.00 -0.04 -1.31 121.76 122.87 1poi s ALA 104 Ca -0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1poi s ALA 104 Cb -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1poi s ALA 104 CO -0.00 0.07 -0.03 -0.06 0.00 0.00 0.00 175.76 175.73 1poi s PHE 105 N -1.63 3.04 0.14 0.00 0.40 -0.64 0.06 117.98 119.35 1poi s PHE 105 Ca -0.01 -0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.14 1poi s PHE 105 Cb -0.08 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 1poi s PHE 105 CO 0.01 0.04 -0.11 0.96 0.70 0.00 0.00 175.22 176.82 1poi s ILE 106 N 0.17 1.22 0.00 0.64 -4.36 -0.86 -4.79 121.20 113.22 1poi s ILE 106 Ca -0.01 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 1poi s ILE 106 Cb -0.14 -1.76 0.00 0.00 1.25 0.00 0.00 42.46 41.81 1poi s ILE 106 CO 0.03 -0.66 0.00 0.61 0.24 0.00 0.00 174.94 175.15 1poi n GLY 107 N -0.02 4.67 0.00 6.27 0.00 -1.26 -0.56 105.19 114.28 1poi n GLY 107 Ca -0.11 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1poi n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1poi n GLY 108 N 5.00 3.60 0.09 -0.02 0.00 -1.25 -4.79 105.19 107.81 1poi n GLY 108 Ca 0.00 -1.44 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 1poi n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1poi n ALA 109 N -1.75 1.70 -2.32 4.61 0.00 0.13 -4.71 120.51 118.16 1poi n ALA 109 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 53.44 52.36 1poi n ALA 109 Cb 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 1poi n ALA 109 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1poi s GLN 110 N -2.69 0.81 0.10 0.00 -0.21 -1.16 -4.62 119.66 111.89 1poi s GLN 110 Ca -0.07 -1.18 -0.19 0.00 0.02 0.00 0.00 55.36 53.94 1poi s GLN 110 Cb 0.08 0.28 0.05 0.00 1.00 0.00 0.00 33.01 34.41 1poi s GLN 110 CO 0.83 -0.22 0.47 -1.50 -2.12 0.00 0.00 175.29 172.75 1poi s ILE 111 N -3.93 0.05 0.34 1.08 2.07 0.92 -2.09 121.20 119.63 1poi s ILE 111 Ca 0.11 -0.38 0.03 0.00 -1.41 0.00 0.00 60.65 59.01 1poi s ILE 111 Cb 0.06 -1.06 -0.05 0.00 0.13 0.00 0.00 42.46 41.55 1poi s ILE 111 CO -0.07 -0.21 0.08 1.51 -1.91 0.00 0.00 174.94 174.35 1poi s ASP 112 N -2.45 2.36 0.57 4.50 -4.77 -1.13 -1.41 116.67 114.34 1poi s ASP 112 Ca -0.01 -1.47 0.43 0.00 -3.30 0.00 0.00 52.55 48.21 1poi s ASP 112 Cb 0.00 0.13 1.49 0.00 -1.09 0.00 0.00 42.92 43.45 1poi s ASP 112 CO -0.08 -0.72 1.48 -2.65 0.70 0.00 0.00 175.17 173.90 1poi n PRO 113 N -0.73 0.00 -0.57 2.11 -0.02 -1.26 -0.11 135.00 134.43 1poi n PRO 113 Ca -0.03 1.07 0.08 0.00 -2.02 0.00 0.00 63.50 62.60 1poi n PRO 113 Cb 0.66 -2.52 0.30 0.00 -0.02 0.00 0.00 33.50 31.92 1poi n PRO 113 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1poi n TYR 114 N -3.72 1.26 -0.97 6.00 4.02 -1.26 -1.20 117.16 121.28 1poi n TYR 114 Ca 0.38 -0.82 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 1poi n TYR 114 Cb 1.89 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 40.84 1poi n TYR 114 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1poi n GLY 115 N -0.15 0.36 3.74 2.72 0.00 0.85 -0.79 105.19 111.92 1poi n GLY 115 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1poi n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1poi s ASN 116 N -2.09 6.85 0.14 1.61 0.01 -1.26 -4.20 114.94 116.00 1poi s ASN 116 Ca 0.00 2.49 0.11 0.00 -0.71 0.00 0.00 52.86 54.74 1poi s ASN 116 Cb 0.00 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1poi s ASN 116 CO 0.00 -0.54 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.12 1poi s VAL 117 N -0.14 2.42 -0.11 1.60 1.01 -0.15 -2.84 120.40 122.19 1poi s VAL 117 Ca 0.55 -1.76 0.02 0.00 0.00 0.00 0.00 61.98 60.80 1poi s VAL 117 Cb -0.38 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1poi s VAL 117 CO 0.41 0.04 -0.19 0.21 0.00 0.00 0.00 175.10 175.58 1poi s ASN 118 N -2.23 2.67 0.00 3.32 3.84 -0.89 -1.96 114.94 119.70 1poi s ASN 118 Ca 0.17 -0.49 0.10 0.00 0.21 0.00 0.00 52.86 52.85 1poi s ASN 118 Cb -0.10 -1.22 0.17 0.00 -0.55 0.00 0.00 41.25 39.55 1poi s ASN 118 CO 0.08 0.07 1.01 -1.54 -2.79 0.00 0.00 177.10 173.92 1poi n SER 119 N 3.96 0.26 -0.08 -4.21 3.41 -1.26 0.18 113.62 115.88 1poi n SER 119 Ca -0.20 -1.88 -0.16 0.00 -0.26 0.00 0.00 58.87 56.38 1poi n SER 119 Cb 0.52 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.27 1poi n SER 119 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1poi n THR 120 N 0.20 1.21 -3.51 6.66 -1.04 -1.26 -3.17 114.28 113.36 1poi n THR 120 Ca -0.01 -0.09 -0.11 0.00 -2.04 0.00 0.00 64.05 61.80 1poi n THR 120 Cb 0.85 -1.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.43 1poi n THR 120 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1poi s SER 121 N -6.46 -0.43 -0.21 8.00 1.04 -1.26 -0.85 113.70 113.53 1poi s SER 121 Ca -0.25 0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.32 1poi s SER 121 Cb 0.08 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 1poi s SER 121 CO 0.33 -0.59 -0.02 -0.63 0.98 0.00 0.00 173.24 173.31 1poi s ILE 122 N -2.47 3.72 0.00 -1.02 1.01 0.87 -4.65 121.20 118.66 1poi s ILE 122 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1poi s ILE 122 Cb -0.01 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1poi s ILE 122 CO -0.05 0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1poi n GLY 123 N 4.50 0.17 3.72 6.18 0.00 -1.26 0.61 105.19 119.11 1poi n GLY 123 Ca -0.17 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 1poi n GLY 123 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1poi s ASP 124 N -4.00 7.44 0.60 1.61 2.15 -1.24 -4.87 116.67 118.36 1poi s ASP 124 Ca 0.00 1.74 0.35 0.00 0.43 0.00 0.00 52.55 55.07 1poi s ASP 124 Cb 0.00 -2.58 1.90 0.00 -0.30 0.00 0.00 42.92 41.94 1poi s ASP 124 CO 0.00 -0.15 2.22 0.22 -0.17 0.00 0.00 175.17 177.29 1poi h TYR 125 N 6.08 0.00 0.02 -5.34 3.20 -1.92 0.62 116.97 119.63 1poi h TYR 125 Ca -0.42 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.17 1poi h TYR 125 Cb 1.21 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.44 1poi h TYR 125 CO 0.66 0.03 -1.59 0.45 -1.64 0.00 0.00 178.16 176.08 1poi h HIS 126 N 0.00 0.06 -1.89 -3.82 3.86 -2.00 -3.40 115.15 107.96 1poi h HIS 126 Ca -0.00 -0.04 -0.48 0.00 -1.16 0.00 0.00 60.37 58.68 1poi h HIS 126 Cb 0.16 -0.00 -0.33 0.00 1.06 0.00 0.00 27.41 28.30 1poi h HIS 126 CO 0.00 1.07 -0.89 0.72 0.86 0.00 0.00 177.93 179.69 1poi n HIS 127 N -3.15 -1.47 -2.67 2.45 8.25 -0.59 -5.13 115.22 112.91 1poi n HIS 127 Ca -0.15 -2.93 -0.38 0.00 -0.26 0.00 0.00 57.72 54.00 1poi n HIS 127 Cb 1.03 0.42 -0.05 0.00 1.12 0.00 0.00 29.99 32.51 1poi n HIS 127 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1poi s PRO 128 N -0.04 4.58 0.05 -0.41 0.04 0.21 -3.66 135.00 135.76 1poi s PRO 128 Ca 0.33 1.49 -0.24 0.00 0.04 0.00 0.00 61.00 62.62 1poi s PRO 128 Cb 0.08 -2.94 -0.17 0.00 0.04 0.00 0.00 34.50 31.51 1poi s PRO 128 CO -0.16 0.24 1.55 -0.22 0.04 0.00 0.00 177.00 178.46 1poi h LYS 129 N 3.40 0.02 -4.16 4.56 3.64 -0.08 -3.43 116.57 120.52 1poi h LYS 129 Ca -0.47 -0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.47 1poi h LYS 129 Cb 1.20 -0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.68 1poi h LYS 129 CO 0.66 0.21 -0.78 0.99 -2.27 0.00 0.00 179.45 178.25 1poi s THR 130 N -5.40 0.69 -0.25 1.00 2.01 -0.32 -4.98 115.64 108.38 1poi s THR 130 Ca -0.14 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 1poi s THR 130 Cb 0.04 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 1poi s THR 130 CO 0.67 0.26 0.09 -0.60 -0.69 0.00 0.00 174.62 174.35 1poi s ARG 131 N 0.85 3.72 0.00 4.92 6.06 -1.26 -0.09 118.95 133.15 1poi s ARG 131 Ca -0.12 -0.44 0.00 0.00 -2.50 0.00 0.00 55.73 52.67 1poi s ARG 131 Cb -0.15 -3.38 0.00 0.00 0.06 0.00 0.00 34.95 31.49 1poi s ARG 131 CO 0.01 -0.16 0.00 1.19 -2.50 0.00 0.00 175.30 173.84 1poi n PHE 132 N 4.87 -1.93 0.07 5.12 3.72 -0.03 -5.00 117.46 124.27 1poi n PHE 132 Ca -0.16 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.15 1poi n PHE 132 Cb 0.52 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.08 1poi n PHE 132 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1poi h THR 133 N -0.17 1.43 0.00 4.37 1.35 -1.80 -3.48 112.91 114.61 1poi h THR 133 Ca 0.00 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 1poi h THR 133 Cb 0.00 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1poi h THR 133 CO 0.00 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 1poi n GLY 134 N 0.66 0.43 0.12 5.82 0.00 -1.19 -4.86 105.19 106.16 1poi n GLY 134 Ca -0.04 -2.16 -0.14 0.00 0.00 0.00 0.00 46.02 43.69 1poi n GLY 134 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1poi h SER 135 N 0.00 0.31 0.00 1.61 0.87 -1.95 -3.41 113.55 110.98 1poi h SER 135 Ca 0.00 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1poi h SER 135 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1poi h SER 135 CO 0.00 0.82 0.00 0.61 -0.53 0.00 0.00 176.83 177.73 1poi n GLY 136 N 0.47 2.10 0.87 5.77 0.00 -1.26 -1.62 105.19 111.51 1poi n GLY 136 Ca -0.08 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.51 1poi n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1poi n GLY 137 N 0.00 1.16 0.37 -0.02 0.00 -1.26 -4.37 105.19 101.07 1poi n GLY 137 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.49 1poi n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1poi h ALA 138 N 4.01 1.37 -0.65 4.61 0.00 -1.69 -2.39 119.26 124.52 1poi h ALA 138 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1poi h ALA 138 Cb 0.67 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1poi h ALA 138 CO 0.00 0.54 0.13 -0.97 0.00 0.00 0.00 179.25 178.95 1poi h ASN 139 N 1.23 1.01 0.08 0.00 -0.73 -1.74 -1.20 115.58 114.23 1poi h ASN 139 Ca 0.39 -0.25 -0.00 0.00 1.87 0.00 0.00 56.30 58.31 1poi h ASN 139 Cb 0.00 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.33 1poi h ASN 139 CO -0.12 1.00 -0.04 1.23 -0.37 0.00 0.00 177.43 179.13 1poi h GLY 140 N 0.98 -0.11 0.02 1.57 0.00 -1.78 -1.66 103.07 102.08 1poi h GLY 140 Ca 0.20 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.66 1poi h GLY 140 CO 0.01 -0.04 -0.19 -2.22 0.00 0.00 0.00 176.54 174.10 1poi h ILE 141 N -0.30 0.43 0.00 2.60 2.04 -1.37 -0.17 117.51 120.75 1poi h ILE 141 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1poi h ILE 141 Cb 0.25 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1poi h ILE 141 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.17 1poi n ALA 142 N -2.87 2.00 0.02 1.87 0.00 -0.46 -0.09 120.51 120.98 1poi n ALA 142 Ca 0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1poi n ALA 142 Cb 0.28 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.19 1poi n ALA 142 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1poi h THR 143 N 0.00 0.94 -0.01 0.00 2.02 -0.26 -3.42 112.91 112.18 1poi h THR 143 Ca 0.00 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1poi h THR 143 Cb 0.48 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1poi h THR 143 CO 0.00 0.75 -0.08 -1.22 0.37 0.00 0.00 175.52 175.34 1poi n TYR 144 N -3.80 0.00 -4.30 3.16 4.01 -0.19 -4.24 117.16 111.80 1poi n TYR 144 Ca -0.26 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.27 1poi n TYR 144 Cb 0.95 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.87 1poi n TYR 144 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1poi s SER 145 N -1.09 2.44 -0.03 7.72 0.01 0.87 -4.74 113.70 118.88 1poi s SER 145 Ca 0.11 -0.85 -0.30 0.00 1.31 0.00 0.00 55.95 56.23 1poi s SER 145 Cb 0.09 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 1poi s SER 145 CO 0.18 -0.07 1.06 0.20 0.41 0.00 0.00 173.24 175.02 1poi s ASN 146 N -2.59 7.23 0.34 2.44 0.01 -1.26 -3.99 114.94 117.12 1poi s ASN 146 Ca 0.13 1.70 0.09 0.00 -0.71 0.00 0.00 52.86 54.07 1poi s ASN 146 Cb -0.05 -2.56 -0.06 0.00 0.41 0.00 0.00 41.25 38.99 1poi s ASN 146 CO 0.05 -0.41 0.01 0.42 -1.51 0.00 0.00 177.10 175.66 1poi s THR 147 N 1.55 2.58 -0.12 1.60 -4.23 -0.57 -0.86 115.64 115.58 1poi s THR 147 Ca 0.52 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1poi s THR 147 Cb -0.22 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.86 1poi s THR 147 CO 0.24 -0.19 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.43 1poi s ILE 148 N -2.53 0.97 -0.27 2.99 1.01 0.11 0.34 121.20 123.82 1poi s ILE 148 Ca 0.35 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.59 1poi s ILE 148 Cb 0.00 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 1poi s ILE 148 CO 0.19 0.32 0.19 -0.63 0.00 0.00 0.00 174.94 175.01 1poi s ILE 149 N 1.73 5.31 -0.35 2.92 1.01 -0.06 -2.02 121.20 129.74 1poi s ILE 149 Ca 0.04 0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.63 1poi s ILE 149 Cb -0.13 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.82 1poi s ILE 149 CO -0.08 0.26 0.87 -0.04 0.00 0.00 0.00 174.94 175.95 1poi s MET 150 N 1.66 3.85 0.02 2.79 -1.94 0.27 -0.92 119.30 125.03 1poi s MET 150 Ca 0.07 0.53 0.00 0.00 -1.71 0.00 0.00 55.69 54.59 1poi s MET 150 Cb -0.16 -3.79 -0.02 0.00 2.01 0.00 0.00 34.83 32.88 1poi s MET 150 CO 0.10 -0.87 -0.03 -1.64 -0.01 0.00 0.00 175.02 172.57 1poi s MET 151 N 3.28 0.29 0.19 2.03 -1.94 -0.92 -3.92 119.30 118.30 1poi s MET 151 Ca 0.36 -0.52 -0.30 0.00 -1.71 0.00 0.00 55.69 53.52 1poi s MET 151 Cb -0.13 0.03 -0.08 0.00 2.01 0.00 0.00 34.83 36.66 1poi s MET 151 CO 0.17 -0.02 1.00 -0.65 -0.01 0.00 0.00 175.02 175.50 1poi s GLN 152 N -1.20 4.73 -0.79 2.03 -1.52 -1.26 -3.72 119.66 117.93 1poi s GLN 152 Ca -0.12 1.56 -0.05 0.00 -1.95 0.00 0.00 55.36 54.80 1poi s GLN 152 Cb -0.08 -3.30 0.02 0.00 -0.22 0.00 0.00 33.01 29.43 1poi s GLN 152 CO -0.01 0.29 2.78 1.58 -0.25 0.00 0.00 175.29 179.69 1poi n HIS 153 N 2.07 1.78 -3.63 0.91 -0.00 -1.26 -4.86 115.22 110.23 1poi n HIS 153 Ca 0.01 -2.28 -0.35 0.00 0.46 0.00 0.00 57.72 55.55 1poi n HIS 153 Cb 0.47 -1.67 -0.06 0.00 -0.12 0.00 0.00 29.99 28.62 1poi n HIS 153 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1poi s GLU 154 N -0.78 3.72 0.47 1.57 2.02 -1.25 -4.68 118.70 119.76 1poi s GLU 154 Ca 0.60 0.13 0.13 0.00 0.02 0.00 0.00 54.97 55.85 1poi s GLU 154 Cb 0.29 -3.07 1.09 0.00 0.10 0.00 0.00 34.13 32.54 1poi s GLU 154 CO -0.13 0.62 2.07 -0.22 0.02 0.00 0.00 175.26 177.62 1poi h LYS 155 N 4.03 0.27 0.00 1.61 3.64 -1.74 -0.30 116.57 124.08 1poi h LYS 155 Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1poi h LYS 155 Cb 1.20 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1poi h LYS 155 CO 0.65 0.18 0.00 2.89 -2.27 0.00 0.00 179.45 180.90 1poi n ARG 156 N -4.49 0.66 -0.04 1.90 1.85 -1.26 -2.85 116.66 112.43 1poi n ARG 156 Ca 0.03 0.02 0.01 0.00 -1.00 0.00 0.00 57.85 56.90 1poi n ARG 156 Cb 0.19 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.98 1poi n ARG 156 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1poi n ARG 157 N -1.11 1.05 -3.30 2.89 1.74 -0.14 -4.71 116.66 113.07 1poi n ARG 157 Ca 0.17 -0.08 -0.45 0.00 -0.77 0.00 0.00 57.85 56.73 1poi n ARG 157 Cb 0.14 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1poi n ARG 157 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1poi n PHE 158 N -2.26 5.06 -3.67 -1.55 3.01 -1.07 -0.06 117.46 116.92 1poi n PHE 158 Ca -0.12 -3.80 -0.32 0.00 1.01 0.00 0.00 57.45 54.22 1poi n PHE 158 Cb 0.66 -1.70 -0.05 0.00 -0.01 0.00 0.00 39.48 38.38 1poi n PHE 158 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1poi s MET 159 N -1.29 3.63 0.51 -1.08 -1.94 -0.50 -0.96 119.30 117.66 1poi s MET 159 Ca 0.31 -0.07 0.25 0.00 -1.71 0.00 0.00 55.69 54.47 1poi s MET 159 Cb -0.09 -2.87 1.38 0.00 2.01 0.00 0.00 34.83 35.26 1poi s MET 159 CO -0.06 0.48 2.06 -0.91 -0.01 0.00 0.00 175.02 176.58 1poi h ASN 160 N 2.93 0.00 -2.77 3.03 4.21 -1.84 -3.34 115.58 117.79 1poi h ASN 160 Ca -0.46 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 56.94 1poi h ASN 160 Cb 1.17 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 38.10 1poi h ASN 160 CO 0.72 0.13 -0.34 -0.75 -1.29 0.00 0.00 177.43 175.90 1poi s LYS 161 N -4.28 0.35 0.76 0.81 2.20 -1.26 -4.68 119.74 113.63 1poi s LYS 161 Ca -0.03 0.95 -0.09 0.00 -0.36 0.00 0.00 55.97 56.44 1poi s LYS 161 Cb 0.14 0.20 0.09 0.00 -1.51 0.00 0.00 37.83 36.75 1poi s LYS 161 CO 0.60 -0.22 1.09 0.96 -0.36 0.00 0.00 175.35 177.42 1poi s ILE 162 N 2.19 2.17 -0.71 5.43 -4.36 -1.26 -4.99 121.20 119.66 1poi s ILE 162 Ca -0.04 -0.19 0.26 0.00 -0.26 0.00 0.00 60.65 60.41 1poi s ILE 162 Cb -0.11 -2.97 0.24 0.00 1.25 0.00 0.00 42.46 40.87 1poi s ILE 162 CO -0.13 0.00 1.68 0.47 0.24 0.00 0.00 174.94 177.20 1poi n ASP 163 N -3.11 0.80 -3.65 4.36 8.00 -1.26 -4.86 116.55 116.83 1poi n ASP 163 Ca 0.09 0.48 -0.01 0.00 0.71 0.00 0.00 54.79 56.07 1poi n ASP 163 Cb 0.60 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 1poi n ASP 163 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1poi s TYR 164 N -3.12 -0.13 -1.03 1.24 6.14 -1.26 -4.76 117.35 114.44 1poi s TYR 164 Ca 0.10 0.28 -0.11 0.00 0.64 0.00 0.00 57.07 57.97 1poi s TYR 164 Cb 0.12 0.26 0.25 0.00 0.42 0.00 0.00 41.96 43.01 1poi s TYR 164 CO 0.62 -0.06 1.03 0.08 0.64 0.00 0.00 175.55 177.86 1poi s VAL 165 N 0.62 5.80 0.10 3.14 1.01 -1.26 -3.85 120.40 125.95 1poi s VAL 165 Ca -0.01 -3.04 0.14 0.00 0.00 0.00 0.00 61.98 59.07 1poi s VAL 165 Cb -0.04 -4.59 0.03 0.00 0.00 0.00 0.00 36.38 31.78 1poi s VAL 165 CO -0.12 -1.17 1.56 0.00 0.00 0.00 0.00 175.10 175.36 1poi h THR 166 N 4.12 1.13 -3.47 3.92 1.03 -1.77 -3.41 112.91 114.46 1poi h THR 166 Ca 0.16 -2.15 -0.58 0.00 -0.01 0.00 0.00 66.41 63.84 1poi h THR 166 Cb 0.93 2.26 -0.39 0.00 -1.07 0.00 0.00 68.15 69.88 1poi h THR 166 CO 0.95 0.55 -0.77 -0.44 -0.01 0.00 0.00 175.52 175.80 1poi s SER 167 N -6.56 3.61 -0.06 0.00 0.01 -1.02 -4.23 113.70 105.45 1poi s SER 167 Ca 0.01 -1.15 -0.30 0.00 1.31 0.00 0.00 55.95 55.82 1poi s SER 167 Cb 0.10 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.31 1poi s SER 167 CO 0.74 -0.28 1.43 -2.16 0.41 0.00 0.00 173.24 173.38 1poi s PRO 168 N 1.55 4.24 0.00 12.44 0.04 -1.26 -0.97 135.00 151.04 1poi s PRO 168 Ca -0.02 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1poi s PRO 168 Cb -0.18 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1poi s PRO 168 CO -0.09 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1poi n GLY 169 N 3.76 0.58 1.22 0.56 0.00 -1.26 -4.71 105.19 105.34 1poi n GLY 169 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1poi n GLY 169 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1poi n TRP 170 N 0.00 1.10 0.00 1.61 7.02 0.03 -4.77 117.44 122.43 1poi n TRP 170 Ca 0.00 -0.42 0.00 0.00 -1.02 0.00 0.00 57.50 56.06 1poi n TRP 170 Cb 0.00 -0.23 0.00 0.00 -2.42 0.00 0.00 31.31 28.66 1poi n TRP 170 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1poi n ILE 171 N 0.62 0.00 -0.58 -0.99 2.08 -1.26 -1.05 119.36 118.17 1poi n ILE 171 Ca 0.18 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.49 1poi n ILE 171 Cb 0.70 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.59 1poi n ILE 171 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1poi n ASP 172 N 1.60 0.81 0.00 4.38 5.68 -1.26 -4.79 116.55 122.97 1poi n ASP 172 Ca 0.00 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 1poi n ASP 172 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1poi n ASP 172 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1poi n GLY 173 N -0.20 0.58 3.73 6.12 0.00 -0.21 -4.94 105.19 110.27 1poi n GLY 173 Ca 0.00 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1poi n GLY 173 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1poi s PRO 174 N -0.81 4.23 0.00 1.61 0.02 -1.26 -2.91 135.00 135.88 1poi s PRO 174 Ca 0.00 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1poi s PRO 174 Cb 0.00 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1poi s PRO 174 CO 0.00 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 1poi n GLY 175 N 3.02 2.97 0.21 0.52 0.00 -1.26 -4.92 105.19 105.74 1poi n GLY 175 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 1poi n GLY 175 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1poi h GLY 176 N 0.00 0.04 0.80 -0.02 0.00 -1.78 -3.19 103.07 98.92 1poi h GLY 176 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.55 1poi h GLY 176 CO 0.00 -0.17 0.03 3.21 0.00 0.00 0.00 176.54 179.61 1poi h ARG 177 N -0.13 0.09 -0.89 4.80 3.08 -1.81 -3.09 114.38 116.43 1poi h ARG 177 Ca 0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1poi h ARG 177 Cb 0.35 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1poi h ARG 177 CO -0.35 0.06 0.57 1.05 -1.07 0.00 0.00 179.97 180.23 1poi h GLU 178 N 0.09 1.18 -0.12 0.04 4.11 -1.59 0.15 114.58 118.46 1poi h GLU 178 Ca 0.08 -0.08 -0.05 0.00 0.07 0.00 0.00 59.36 59.37 1poi h GLU 178 Cb 0.08 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1poi h GLU 178 CO -0.11 0.80 -0.16 0.00 0.07 0.00 0.00 179.01 179.61 1poi h ARG 179 N 1.21 0.19 -0.03 1.06 3.08 -1.53 0.22 114.38 118.57 1poi h ARG 179 Ca 0.32 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1poi h ARG 179 Cb -0.11 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1poi h ARG 179 CO -0.07 0.35 0.00 1.28 -1.07 0.00 0.00 179.97 180.46 1poi n LEU 180 N -4.27 0.29 -0.28 3.04 4.77 -0.96 -4.86 117.00 114.74 1poi n LEU 180 Ca -0.01 -0.12 -0.03 0.00 -0.03 0.00 0.00 56.01 55.82 1poi n LEU 180 Cb 0.27 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1poi n LEU 180 CO 0.38 0.06 -0.03 0.61 -1.33 0.00 0.00 177.39 177.08 1poi n GLY 181 N 0.83 0.44 3.89 -0.72 0.00 0.77 -5.05 105.19 105.36 1poi n GLY 181 Ca 0.14 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 1poi n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1poi s LEU 182 N -0.76 4.38 -0.15 0.99 1.43 0.49 -4.98 118.68 120.08 1poi s LEU 182 Ca 0.00 0.42 -0.37 0.00 -1.03 0.00 0.00 54.13 53.15 1poi s LEU 182 Cb 0.00 -2.45 -0.14 0.00 0.03 0.00 0.00 46.19 43.63 1poi s LEU 182 CO 0.00 0.31 1.77 -2.65 0.23 0.00 0.00 176.35 176.01 1poi n PRO 183 N 1.31 1.65 0.16 1.29 -0.02 -1.26 -3.36 135.00 134.77 1poi n PRO 183 Ca -0.14 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 61.98 1poi n PRO 183 Cb 0.53 -2.36 0.24 0.00 -0.02 0.00 0.00 33.50 31.89 1poi n PRO 183 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1poi h GLY 184 N 7.82 0.00 -4.22 -1.23 0.00 -1.93 -3.34 103.07 100.16 1poi h GLY 184 Ca -0.47 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.17 1poi h GLY 184 CO 0.94 0.00 0.72 2.09 0.00 0.00 0.00 176.54 180.29 1poi n ASP 185 N -3.53 7.33 -3.67 0.19 5.68 -1.26 -4.82 116.55 116.46 1poi n ASP 185 Ca -0.00 -3.80 -0.10 0.00 -0.50 0.00 0.00 54.79 50.40 1poi n ASP 185 Cb 0.59 -0.93 -0.10 0.00 -1.14 0.00 0.00 41.12 39.54 1poi n ASP 185 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1poi s VAL 186 N -4.89 -0.37 0.01 2.12 0.11 -1.26 -4.98 120.40 111.13 1poi s VAL 186 Ca 0.60 0.14 -0.00 0.00 -2.93 0.00 0.00 61.98 59.79 1poi s VAL 186 Cb 0.48 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.70 1poi s VAL 186 CO -0.11 0.06 0.02 0.61 -3.33 0.00 0.00 175.10 172.35 1poi n GLY 187 N 4.92 1.59 3.66 6.54 0.00 -1.26 -4.89 105.19 115.75 1poi n GLY 187 Ca -0.15 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1poi n GLY 187 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1poi s PRO 188 N -2.00 4.14 -0.19 1.61 0.02 -1.26 -1.51 135.00 135.80 1poi s PRO 188 Ca 0.00 2.30 -0.12 0.00 0.02 0.00 0.00 61.00 63.21 1poi s PRO 188 Cb -0.00 -4.05 -0.20 0.00 0.02 0.00 0.00 34.50 30.26 1poi s PRO 188 CO 0.00 -0.92 0.13 1.04 -0.33 0.00 0.00 177.00 176.92 1poi n GLN 189 N 7.31 0.65 -3.72 5.54 1.13 0.15 -4.79 117.38 123.66 1poi n GLN 189 Ca 0.18 0.36 -0.14 0.00 -1.94 0.00 0.00 57.00 55.46 1poi n GLN 189 Cb 0.42 -1.67 -0.09 0.00 0.11 0.00 0.00 30.24 29.02 1poi n GLN 189 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1poi s LEU 190 N -7.33 0.44 -0.19 1.08 2.96 -1.13 -4.34 118.68 110.16 1poi s LEU 190 Ca -0.29 0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1poi s LEU 190 Cb 0.08 1.51 -0.01 0.00 0.50 0.00 0.00 46.19 48.27 1poi s LEU 190 CO 0.65 -0.32 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.62 1poi s VAL 191 N -0.55 3.49 -0.27 1.68 1.01 0.12 -0.88 120.40 125.00 1poi s VAL 191 Ca -0.07 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1poi s VAL 191 Cb -0.04 -2.56 0.04 0.00 0.00 0.00 0.00 36.38 33.83 1poi s VAL 191 CO 0.03 0.45 -0.03 -0.69 0.00 0.00 0.00 175.10 174.86 1poi s VAL 192 N 1.08 2.90 0.13 2.92 1.01 -0.10 -0.11 120.40 128.23 1poi s VAL 192 Ca 0.01 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.77 1poi s VAL 192 Cb -0.15 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1poi s VAL 192 CO -0.00 0.04 0.08 0.35 0.00 0.00 0.00 175.10 175.57 1poi n THR 193 N 4.64 0.00 1.77 3.92 -2.24 -0.66 -2.18 114.28 119.53 1poi n THR 193 Ca -0.15 -0.52 0.15 0.00 -2.27 0.00 0.00 64.05 61.26 1poi n THR 193 Cb 0.45 -0.32 0.87 0.00 -2.10 0.00 0.00 70.33 69.23 1poi n THR 193 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1poi n ASP 194 N -1.84 0.00 -0.09 3.42 5.75 -1.24 -3.38 116.55 119.16 1poi n ASP 194 Ca -0.01 -0.69 0.01 0.00 -0.01 0.00 0.00 54.79 54.08 1poi n ASP 194 Cb 0.15 -0.10 0.02 0.00 -1.03 0.00 0.00 41.12 40.16 1poi n ASP 194 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1poi n LYS 195 N -1.10 2.81 -0.09 0.11 5.02 -1.26 -4.95 118.16 118.70 1poi n LYS 195 Ca 0.20 -1.53 0.00 0.00 -2.02 0.00 0.00 58.31 54.96 1poi n LYS 195 Cb 0.15 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1poi n LYS 195 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1poi n GLY 196 N -0.34 0.94 3.23 0.72 0.00 -1.22 -2.87 105.19 105.67 1poi n GLY 196 Ca 0.02 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1poi n GLY 196 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1poi s ILE 197 N -2.43 1.88 0.08 -0.61 -4.36 0.15 -1.65 121.20 114.25 1poi s ILE 197 Ca 0.00 -0.97 0.08 0.00 -0.26 0.00 0.00 60.65 59.50 1poi s ILE 197 Cb 0.00 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 1poi s ILE 197 CO 0.00 0.53 -0.17 -0.76 0.24 0.00 0.00 174.94 174.78 1poi s LEU 198 N -0.13 2.72 0.37 0.37 1.02 0.84 -1.24 118.68 122.64 1poi s LEU 198 Ca -0.03 -0.46 0.05 0.00 0.02 0.00 0.00 54.13 53.71 1poi s LEU 198 Cb -0.13 -1.58 -0.07 0.00 0.02 0.00 0.00 46.19 44.43 1poi s LEU 198 CO 0.03 0.22 0.03 -0.54 0.02 0.00 0.00 176.35 176.11 1poi s LYS 199 N -1.81 1.83 -0.15 1.70 1.02 0.11 -0.70 119.74 121.73 1poi s LYS 199 Ca 0.17 -2.03 -0.01 0.00 0.02 0.00 0.00 55.97 54.12 1poi s LYS 199 Cb -0.11 -1.27 -0.01 0.00 -0.52 0.00 0.00 37.83 35.92 1poi s LYS 199 CO 0.08 -0.13 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.20 1poi s PHE 200 N -2.99 2.83 0.29 3.18 0.08 -1.26 0.25 117.98 120.37 1poi s PHE 200 Ca 0.35 -0.75 -0.28 0.00 0.12 0.00 0.00 56.93 56.36 1poi s PHE 200 Cb 0.09 -1.89 -0.14 0.00 -0.57 0.00 0.00 43.02 40.51 1poi s PHE 200 CO 0.16 -0.30 1.08 -3.47 -0.10 0.00 0.00 175.22 172.59 1poi n ASP 201 N 3.81 1.62 -0.06 1.36 2.03 -0.25 -4.79 116.55 120.27 1poi n ASP 201 Ca -0.18 1.18 -0.03 0.00 0.52 0.00 0.00 54.79 56.27 1poi n ASP 201 Cb 0.52 -1.33 0.19 0.00 -0.72 0.00 0.00 41.12 39.79 1poi n ASP 201 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1poi h GLU 202 N 2.24 0.67 0.00 -0.67 4.57 -1.95 0.01 114.58 119.45 1poi h GLU 202 Ca -0.41 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 1poi h GLU 202 Cb 1.33 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1poi h GLU 202 CO 0.62 0.73 -1.72 1.63 -1.18 0.00 0.00 179.01 179.09 1poi n LYS 203 N -4.21 0.59 -0.00 1.92 5.02 -1.26 -4.57 118.16 115.66 1poi n LYS 203 Ca 0.02 -0.15 0.01 0.00 -2.02 0.00 0.00 58.31 56.17 1poi n LYS 203 Cb 0.31 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 1poi n LYS 203 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1poi n THR 204 N -2.05 0.00 -0.76 -0.18 -2.24 -1.24 -4.76 114.28 103.06 1poi n THR 204 Ca -0.02 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1poi n THR 204 Cb 0.48 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1poi n THR 204 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1poi n LYS 205 N -1.08 -0.78 -3.07 -0.78 4.76 -0.01 -4.31 118.16 112.89 1poi n LYS 205 Ca 0.01 0.19 -0.39 0.00 -2.87 0.00 0.00 58.31 55.25 1poi n LYS 205 Cb 0.05 -4.47 -0.06 0.00 -1.84 0.00 0.00 35.03 28.70 1poi n LYS 205 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1poi s ARG 206 N -1.27 4.43 0.37 1.97 3.52 -1.26 -4.42 118.95 122.30 1poi s ARG 206 Ca 0.00 1.01 -0.28 0.00 -0.13 0.00 0.00 55.73 56.33 1poi s ARG 206 Cb 0.00 -3.21 -0.11 0.00 -1.56 0.00 0.00 34.95 30.07 1poi s ARG 206 CO 0.00 0.57 1.47 1.41 -0.81 0.00 0.00 175.30 177.94 1poi s MET 207 N -1.24 4.13 0.02 5.12 -2.45 -0.34 -1.09 119.30 123.45 1poi s MET 207 Ca 0.35 2.54 -0.09 0.00 -1.25 0.00 0.00 55.69 57.24 1poi s MET 207 Cb -0.21 -2.98 0.00 0.00 1.25 0.00 0.00 34.83 32.89 1poi s MET 207 CO 0.24 -0.51 0.18 1.52 1.05 0.00 0.00 175.02 177.49 1poi s TYR 208 N -1.10 0.04 -0.03 4.11 1.13 0.14 -4.45 117.35 117.19 1poi s TYR 208 Ca 0.53 -0.18 -0.30 0.00 -1.41 0.00 0.00 57.07 55.71 1poi s TYR 208 Cb -0.46 -0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.33 1poi s TYR 208 CO 0.62 -0.36 1.14 -1.17 -2.51 0.00 0.00 175.55 173.27 1poi s LEU 209 N -1.72 4.31 -0.24 -3.49 2.96 -0.78 -0.71 118.68 119.00 1poi s LEU 209 Ca -0.10 1.80 -0.10 0.00 -0.22 0.00 0.00 54.13 55.51 1poi s LEU 209 Cb -0.04 -3.56 -0.17 0.00 0.50 0.00 0.00 46.19 42.92 1poi s LEU 209 CO -0.01 -0.49 -0.12 0.00 -1.32 0.00 0.00 176.35 174.41 1poi n ALA 210 N 4.70 1.15 -3.45 5.97 0.00 -0.37 -3.76 120.51 124.75 1poi n ALA 210 Ca 0.09 -0.93 -0.16 0.00 0.00 0.00 0.00 53.44 52.45 1poi n ALA 210 Cb 0.47 -0.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 1poi n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1poi s ALA 211 N -2.49 -1.50 0.14 0.00 0.00 -0.90 -2.35 121.76 114.66 1poi s ALA 211 Ca -0.34 1.15 0.11 0.00 0.00 0.00 0.00 51.96 52.89 1poi s ALA 211 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1poi s ALA 211 CO 0.58 -0.33 -0.26 1.52 0.00 0.00 0.00 175.76 177.27 1poi s TYR 212 N -0.97 2.25 0.83 0.00 -0.85 -0.85 -0.67 117.35 117.08 1poi s TYR 212 Ca -0.10 -0.38 -0.11 0.00 -0.52 0.00 0.00 57.07 55.96 1poi s TYR 212 Cb -0.02 -1.20 0.09 0.00 0.38 0.00 0.00 41.96 41.21 1poi s TYR 212 CO 0.07 0.36 1.09 0.71 -1.52 0.00 0.00 175.55 176.26 1poi s TYR 213 N -1.21 2.60 0.23 -3.49 2.02 -1.14 -1.32 117.35 115.05 1poi s TYR 213 Ca 0.15 1.28 -0.06 0.00 -0.37 0.00 0.00 57.07 58.06 1poi s TYR 213 Cb -0.09 -3.11 0.31 0.00 -0.40 0.00 0.00 41.96 38.67 1poi s TYR 213 CO 0.07 -1.99 1.84 -1.35 -1.57 0.00 0.00 175.55 172.54 1poi h PRO 214 N -1.25 0.85 0.00 -1.71 0.11 -1.94 -0.19 132.00 127.86 1poi h PRO 214 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1poi h PRO 214 Cb 1.26 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1poi h PRO 214 CO 0.56 0.56 0.00 0.25 -0.21 0.00 0.00 178.00 179.16 1poi n THR 215 N -4.68 0.00 -4.30 -1.15 -2.24 -1.26 -4.80 114.28 95.84 1poi n THR 215 Ca 0.11 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.70 1poi n THR 215 Cb 0.18 -0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 67.95 1poi n THR 215 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1poi n SER 216 N -0.73 -0.27 -3.90 3.42 2.88 -0.08 -5.12 113.62 109.82 1poi n SER 216 Ca 0.08 -3.01 -0.09 0.00 -1.33 0.00 0.00 58.87 54.51 1poi n SER 216 Cb 0.03 1.42 -0.05 0.00 -0.75 0.00 0.00 64.21 64.86 1poi n SER 216 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1poi s SER 217 N -3.18 -0.13 0.32 -3.46 1.04 -1.26 -4.62 113.70 102.41 1poi s SER 217 Ca 0.33 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 56.01 1poi s SER 217 Cb 0.02 0.56 0.55 0.00 0.10 0.00 0.00 66.02 67.25 1poi s SER 217 CO 0.23 -1.08 1.95 -0.65 0.98 0.00 0.00 173.24 174.67 1poi h PRO 218 N 2.28 0.97 -0.27 4.02 0.11 -1.96 -1.79 132.00 135.35 1poi h PRO 218 Ca -0.27 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.66 1poi h PRO 218 Cb 1.25 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1poi h PRO 218 CO 0.38 0.64 -0.33 0.93 -0.21 0.00 0.00 178.00 179.40 1poi h GLU 219 N 0.99 0.59 -0.45 1.05 5.08 -1.98 0.19 114.58 120.05 1poi h GLU 219 Ca 0.33 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1poi h GLU 219 Cb 0.07 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1poi h GLU 219 CO -0.10 0.84 0.29 0.22 -1.00 0.00 0.00 179.01 179.26 1poi h ASP 220 N 0.50 0.48 0.41 1.42 3.58 -1.79 0.66 116.42 121.68 1poi h ASP 220 Ca 0.06 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1poi h ASP 220 Cb 0.82 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.75 1poi h ASP 220 CO 0.07 0.35 -0.25 0.58 -2.88 0.00 0.00 179.24 177.10 1poi h VAL 221 N 0.58 0.47 -0.40 2.25 2.07 -0.72 -2.68 116.25 117.82 1poi h VAL 221 Ca 0.17 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 1poi h VAL 221 Cb -0.04 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 1poi h VAL 221 CO -0.05 0.00 0.01 -0.07 0.02 0.00 0.00 177.57 177.47 1poi h LEU 222 N -0.64 -0.15 -2.56 2.57 3.38 -0.33 -1.96 115.31 115.63 1poi h LEU 222 Ca -0.05 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1poi h LEU 222 Cb 0.52 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1poi h LEU 222 CO 0.05 -0.04 0.09 -0.33 0.09 0.00 0.00 178.44 178.29 1poi h GLU 223 N 0.11 0.00 -0.47 1.13 5.08 -0.70 -2.46 114.58 117.27 1poi h GLU 223 Ca 0.20 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.26 1poi h GLU 223 Cb 0.28 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.33 1poi h GLU 223 CO -0.33 0.00 -0.25 0.09 -1.00 0.00 0.00 179.01 177.52 1poi n ASN 224 N -3.44 3.49 -3.89 1.42 3.02 -0.74 -4.79 115.26 110.33 1poi n ASN 224 Ca -0.02 -3.80 -0.24 0.00 -0.03 0.00 0.00 54.58 50.48 1poi n ASN 224 Cb 0.17 -0.58 -0.17 0.00 -0.61 0.00 0.00 39.78 38.59 1poi n ASN 224 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1poi s THR 225 N -3.76 0.81 -0.32 3.41 2.01 -0.93 -2.18 115.64 114.68 1poi s THR 225 Ca 0.47 -0.19 0.23 0.00 0.31 0.00 0.00 61.69 62.51 1poi s THR 225 Cb 0.41 -0.84 0.23 0.00 0.01 0.00 0.00 72.50 72.31 1poi s THR 225 CO -0.00 0.32 1.69 0.61 -0.69 0.00 0.00 174.62 176.54 1poi n GLY 226 N 4.69 -1.06 3.33 4.40 0.00 -0.14 -4.74 105.19 111.68 1poi n GLY 226 Ca -0.15 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1poi n GLY 226 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1poi s PHE 227 N -3.45 1.58 0.59 1.61 -0.71 -1.20 -4.66 117.98 111.75 1poi s PHE 227 Ca 0.01 -0.78 -0.19 0.00 -1.04 0.00 0.00 56.93 54.92 1poi s PHE 227 Cb 0.08 -0.86 -0.03 0.00 -1.21 0.00 0.00 43.02 40.99 1poi s PHE 227 CO 0.29 0.11 1.22 0.34 -1.34 0.00 0.00 175.22 175.84 1poi s ASP 228 N -3.30 5.15 0.09 1.98 2.15 -1.26 -5.05 116.67 116.43 1poi s ASP 228 Ca 0.25 2.43 0.01 0.00 0.43 0.00 0.00 52.55 55.66 1poi s ASP 228 Cb 0.03 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1poi s ASP 228 CO 0.07 -1.63 -0.04 -0.76 -0.17 0.00 0.00 175.17 172.64 1poi s LEU 229 N -4.06 2.44 -0.77 -1.34 1.43 -1.26 -5.01 118.68 110.12 1poi s LEU 229 Ca 0.78 -1.02 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1poi s LEU 229 Cb -0.32 0.03 0.20 0.00 0.03 0.00 0.00 46.19 46.14 1poi s LEU 229 CO 0.34 -0.53 0.67 -0.62 0.23 0.00 0.00 176.35 176.44 1poi s ASP 230 N -3.01 6.27 0.31 2.29 2.15 -1.26 -4.82 116.67 118.60 1poi s ASP 230 Ca 0.12 -2.77 0.23 0.00 0.43 0.00 0.00 52.55 50.56 1poi s ASP 230 Cb 0.06 -2.09 0.33 0.00 -0.30 0.00 0.00 42.92 40.92 1poi s ASP 230 CO -0.06 -0.50 1.47 -0.37 -0.17 0.00 0.00 175.17 175.54 1poi h VAL 231 N 4.91 0.00 -0.40 1.11 -1.51 -1.95 -2.08 116.25 116.33 1poi h VAL 231 Ca 0.07 -0.87 -0.59 0.00 -1.23 0.00 0.00 66.70 64.08 1poi h VAL 231 Cb 1.01 1.70 -0.03 0.00 -2.13 0.00 0.00 31.29 31.84 1poi h VAL 231 CO 0.74 0.00 2.14 -1.54 -1.23 0.00 0.00 177.57 177.68 1poi n SER 232 N -2.77 3.75 0.00 4.19 3.41 -1.26 -1.21 113.62 119.73 1poi n SER 232 Ca 0.03 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1poi n SER 232 Cb 0.51 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 1poi n SER 232 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1poi n LYS 233 N 7.59 0.00 -2.65 4.33 4.81 -1.26 -5.12 118.16 125.85 1poi n LYS 233 Ca 0.49 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.58 1poi n LYS 233 Cb 0.43 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.43 1poi n LYS 233 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1poi s ALA 234 N 0.00 3.05 0.15 3.14 0.00 -0.35 -4.88 121.76 122.88 1poi s ALA 234 Ca 0.00 0.58 0.08 0.00 0.00 0.00 0.00 51.96 52.62 1poi s ALA 234 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1poi s ALA 234 CO 0.00 -0.09 -0.17 0.14 0.00 0.00 0.00 175.76 175.64 1poi s VAL 235 N -1.84 1.69 -0.04 0.00 -7.23 -0.99 -4.93 120.40 107.05 1poi s VAL 235 Ca 0.60 -1.86 -0.27 0.00 -1.81 0.00 0.00 61.98 58.63 1poi s VAL 235 Cb -0.17 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 1poi s VAL 235 CO 0.22 -0.34 0.84 -0.70 -0.31 0.00 0.00 175.10 174.81 1poi s GLU 236 N -2.76 4.49 0.86 4.82 2.12 -1.26 -2.01 118.70 124.95 1poi s GLU 236 Ca 0.14 1.15 -0.12 0.00 0.36 0.00 0.00 54.97 56.50 1poi s GLU 236 Cb -0.05 -3.46 0.11 0.00 0.26 0.00 0.00 34.13 30.98 1poi s GLU 236 CO 0.06 -0.02 1.12 -0.51 -0.54 0.00 0.00 175.26 175.37 1poi s LEU 237 N 1.00 2.26 0.04 2.70 1.43 -0.44 -4.92 118.68 120.75 1poi s LEU 237 Ca 0.44 1.11 -0.00 0.00 -1.03 0.00 0.00 54.13 54.65 1poi s LEU 237 Cb -0.19 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1poi s LEU 237 CO 0.22 -2.30 0.18 -1.61 0.23 0.00 0.00 176.35 173.07 1poi s GLU 238 N -5.23 3.37 0.70 1.70 2.02 -1.26 -4.31 118.70 115.68 1poi s GLU 238 Ca 0.62 -0.44 -0.16 0.00 0.02 0.00 0.00 54.97 55.02 1poi s GLU 238 Cb -0.15 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 31.04 1poi s GLU 238 CO 0.54 0.62 0.74 0.00 0.02 0.00 0.00 175.26 177.18 1poi n ALA 239 N 0.52 -0.82 -1.90 5.21 0.00 -1.26 -4.89 120.51 117.37 1poi n ALA 239 Ca -0.07 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 1poi n ALA 239 Cb 0.52 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 1poi n ALA 239 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1poi s PRO 240 N -2.93 4.23 -0.08 0.00 0.02 -1.26 -4.92 135.00 130.07 1poi s PRO 240 Ca 0.70 2.34 -0.32 0.00 0.02 0.00 0.00 61.00 63.74 1poi s PRO 240 Cb -0.36 -3.12 -0.10 0.00 0.02 0.00 0.00 34.50 30.94 1poi s PRO 240 CO 0.54 -0.52 1.98 -3.47 -0.33 0.00 0.00 177.00 175.20 1poi n ASP 241 N 3.05 3.62 -0.27 2.53 2.03 -1.26 -4.83 116.55 121.42 1poi n ASP 241 Ca 0.10 0.82 0.33 0.00 0.52 0.00 0.00 54.79 56.56 1poi n ASP 241 Cb 0.39 -1.44 0.73 0.00 -0.72 0.00 0.00 41.12 40.08 1poi n ASP 241 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1poi h PRO 242 N 10.64 0.00 -0.13 -0.67 0.11 -1.91 0.24 132.00 140.28 1poi h PRO 242 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1poi h PRO 242 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1poi h PRO 242 CO 0.95 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.60 1poi h ALA 243 N 1.35 1.52 -0.02 -0.75 0.00 -1.89 -2.08 119.26 117.39 1poi h ALA 243 Ca 0.52 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1poi h ALA 243 Cb 2.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1poi h ALA 243 CO -0.01 0.35 -0.14 0.28 0.00 0.00 0.00 179.25 179.73 1poi h VAL 244 N 0.20 1.52 -0.68 0.00 2.07 -0.88 -2.84 116.25 115.64 1poi h VAL 244 Ca 0.04 -1.73 0.09 0.00 0.82 0.00 0.00 66.70 65.92 1poi h VAL 244 Cb 0.38 2.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 1poi h VAL 244 CO 0.02 0.47 0.45 0.40 0.02 0.00 0.00 177.57 178.93 1poi h ILE 245 N -0.51 0.94 -0.34 4.57 1.08 -1.37 0.19 117.51 122.07 1poi h ILE 245 Ca -0.01 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1poi h ILE 245 Cb 0.84 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 1poi h ILE 245 CO 0.03 0.11 0.16 0.50 -0.69 0.00 0.00 178.15 178.26 1poi h LYS 246 N 0.58 0.49 -0.09 2.37 3.64 -1.38 -2.29 116.57 119.89 1poi h LYS 246 Ca 0.31 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1poi h LYS 246 Cb 0.44 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1poi h LYS 246 CO -0.10 0.44 -0.08 1.25 -2.27 0.00 0.00 179.45 178.70 1poi h LEU 247 N 0.41 -0.24 -0.54 5.20 5.85 -0.46 0.13 115.31 125.66 1poi h LEU 247 Ca 0.12 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1poi h LEU 247 Cb 0.12 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1poi h LEU 247 CO -0.01 -0.11 0.25 0.40 -0.34 0.00 0.00 178.44 178.63 1poi h ILE 248 N -0.09 0.91 -0.07 4.05 2.04 -1.00 0.17 117.51 123.52 1poi h ILE 248 Ca 0.06 -0.16 -0.14 0.00 1.00 0.00 0.00 64.86 65.62 1poi h ILE 248 Cb 0.18 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1poi h ILE 248 CO -0.15 0.09 -0.51 0.03 0.00 0.00 0.00 178.15 177.61 1poi h ARG 249 N 0.48 0.47 0.00 2.37 3.08 -1.14 0.17 114.38 119.81 1poi h ARG 249 Ca 0.25 -0.41 -0.15 0.00 0.07 0.00 0.00 59.98 59.73 1poi h ARG 249 Cb 0.19 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1poi h ARG 249 CO -0.19 1.05 -0.85 0.93 -1.07 0.00 0.00 179.97 179.83 1poi h GLU 250 N 0.02 0.00 0.00 0.04 3.07 -0.71 -3.10 114.58 113.90 1poi h GLU 250 Ca -0.04 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.67 1poi h GLU 250 Cb 1.17 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.06 1poi h GLU 250 CO 0.10 0.96 -0.82 0.93 -1.40 0.00 0.00 179.01 178.78 1poi h GLU 251 N -1.00 0.00 0.52 2.33 3.07 -0.93 -3.40 114.58 115.18 1poi h GLU 251 Ca -0.23 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.60 1poi h GLU 251 Cb 1.17 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.09 1poi h GLU 251 CO -0.14 0.87 -0.25 0.82 -1.40 0.00 0.00 179.01 178.90 1poi h ILE 252 N -1.00 0.00 -2.06 3.13 5.03 -1.12 -3.43 117.51 118.06 1poi h ILE 252 Ca -0.21 -0.36 -0.56 0.00 -0.12 0.00 0.00 64.86 63.60 1poi h ILE 252 Cb 1.10 0.00 -0.40 0.00 -3.03 0.00 0.00 36.82 34.49 1poi h ILE 252 CO -0.13 0.00 -0.97 -0.67 -0.68 0.00 0.00 178.15 175.70 1poi n ASP 253 N -4.90 1.36 0.08 1.72 2.03 0.58 -4.44 116.55 112.98 1poi n ASP 253 Ca -0.09 -2.97 0.03 0.00 0.52 0.00 0.00 54.79 52.28 1poi n ASP 253 Cb 0.28 -0.64 0.42 0.00 -0.72 0.00 0.00 41.12 40.46 1poi n ASP 253 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1poi h PRO 254 N 3.84 0.35 -0.01 -0.67 0.11 -1.74 -1.32 132.00 132.56 1poi h PRO 254 Ca 0.11 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1poi h PRO 254 Cb 0.82 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1poi h PRO 254 CO 0.57 0.35 0.00 0.41 -0.21 0.00 0.00 178.00 179.13 1poi n GLY 255 N -1.15 -0.85 3.94 -0.55 0.00 -1.26 -4.94 105.19 100.39 1poi n GLY 255 Ca 0.01 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1poi n GLY 255 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1poi n GLN 256 N -0.74 -3.53 0.09 1.61 6.02 -0.50 -4.88 117.38 115.45 1poi n GLN 256 Ca 0.19 0.43 -0.08 0.00 -0.01 0.00 0.00 57.00 57.53 1poi n GLN 256 Cb 0.12 -4.67 -0.02 0.00 1.02 0.00 0.00 30.24 26.69 1poi n GLN 256 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1poi h ALA 257 N 0.85 0.51 0.00 -1.58 0.00 -1.92 -3.38 119.26 113.74 1poi h ALA 257 Ca -0.62 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.54 1poi h ALA 257 Cb 1.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1poi h ALA 257 CO 0.63 0.96 -0.55 1.19 0.00 0.00 0.00 179.25 181.49 1poi n PHE 258 N -3.61 0.00 -3.98 0.00 3.72 -1.26 -4.98 117.46 107.34 1poi n PHE 258 Ca -0.03 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.06 1poi n PHE 258 Cb 0.82 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 39.21 1poi n PHE 258 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1poi s ILE 259 N -1.17 1.92 -0.14 4.37 -1.09 -1.26 -4.92 121.20 118.91 1poi s ILE 259 Ca 0.00 -1.80 -0.12 0.00 -2.23 0.00 0.00 60.65 56.50 1poi s ILE 259 Cb 0.00 -2.26 -0.05 0.00 -1.58 0.00 0.00 42.46 38.57 1poi s ILE 259 CO 0.00 -0.35 0.24 -1.10 -1.23 0.00 0.00 174.94 172.50 1poi s GLN 260 N 1.15 4.04 0.69 2.79 1.11 -1.26 -4.18 119.66 123.99 1poi s GLN 260 Ca 0.02 0.01 -0.11 0.00 0.01 0.00 0.00 55.36 55.29 1poi s GLN 260 Cb -0.19 -3.35 0.01 0.00 -1.01 0.00 0.00 33.01 28.47 1poi s GLN 260 CO -0.09 0.42 1.07 0.14 0.01 0.00 0.00 175.29 176.83 1poi s VAL 261 N -0.04 3.54 -2.09 1.09 -7.23 -1.26 -4.94 120.40 109.48 1poi s VAL 261 Ca 0.15 0.42 0.31 0.00 -1.81 0.00 0.00 61.98 61.05 1poi s VAL 261 Cb -0.13 -3.48 0.85 0.00 0.56 0.00 0.00 36.38 34.18 1poi s VAL 261 CO 0.04 -0.62 2.15 -2.65 -0.31 0.00 0.00 175.10 173.70