#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irm n SER 31 N 0.00 0.00 0.11 1.20 7.64 -1.26 -5.13 113.62 116.18 1irm n SER 31 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1irm n SER 31 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1irm n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1irm n GLU 32 N 0.00 0.00 -0.24 1.43 4.71 -1.26 -4.89 120.64 120.39 1irm n GLU 32 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.09 1irm n GLU 32 Cb 0.00 -0.08 -0.06 0.00 -1.01 0.00 0.00 31.44 30.29 1irm n GLU 32 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1irm n PHE 33 N -3.34 -0.25 -0.14 -0.32 7.35 -1.26 0.59 117.46 120.09 1irm n PHE 33 Ca 0.00 0.70 0.17 0.00 -0.76 0.00 0.00 57.45 57.57 1irm n PHE 33 Cb 0.00 -0.53 0.55 0.00 0.35 0.00 0.00 39.48 39.85 1irm n PHE 33 CO 0.00 0.00 0.00 1.98 -0.76 0.00 0.00 176.76 177.98 1irm h MET 34 N 0.00 0.30 0.04 -4.13 4.05 -1.94 -2.10 114.93 111.15 1irm h MET 34 Ca 0.09 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.43 1irm h MET 34 Cb 0.23 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1irm h MET 34 CO -0.53 0.20 -0.28 0.00 0.23 0.00 0.00 176.91 176.53 1irm h ARG 35 N 0.31 0.12 -0.04 0.39 3.08 -0.20 -3.11 114.38 114.94 1irm h ARG 35 Ca 0.36 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1irm h ARG 35 Cb 0.96 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1irm h ARG 35 CO -0.10 1.04 0.00 0.09 -1.07 0.00 0.00 179.97 179.93 1irm n ASN 36 N -4.46 0.04 -0.12 7.04 5.03 -0.07 -1.26 115.26 121.46 1irm n ASN 36 Ca -0.11 -0.28 -0.24 0.00 0.87 0.00 0.00 54.58 54.82 1irm n ASN 36 Cb 0.57 -0.02 -0.08 0.00 -1.02 0.00 0.00 39.78 39.23 1irm n ASN 36 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1irm n PHE 37 N -0.22 0.00 0.09 3.10 -0.00 -1.07 -2.51 117.46 116.85 1irm n PHE 37 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.46 1irm n PHE 37 Cb 0.01 -0.84 0.05 0.00 -0.00 0.00 0.00 39.48 38.71 1irm n PHE 37 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1irm n GLN 38 N -4.19 0.01 0.00 -4.13 3.00 -0.39 -3.74 117.38 107.94 1irm n GLN 38 Ca -0.44 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1irm n GLN 38 Cb 0.79 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.53 1irm n GLN 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1irm n LYS 39 N -1.42 0.00 0.00 -1.09 4.81 -1.19 -4.75 118.16 114.52 1irm n LYS 39 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1irm n LYS 39 Cb 0.02 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.07 1irm n LYS 39 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1irm n GLY 40 N 3.74 0.00 0.00 3.14 0.00 -1.25 -4.55 105.19 106.27 1irm n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1irm n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1irm n GLN 41 N 0.00 0.00 0.00 1.61 -0.06 -1.05 -4.92 117.38 112.96 1irm n GLN 41 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1irm n GLN 41 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1irm n GLN 41 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1irm n VAL 42 N 0.00 0.00 -0.35 1.69 3.14 -1.12 -4.76 118.33 116.93 1irm n VAL 42 Ca 0.00 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.33 1irm n VAL 42 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1irm n VAL 42 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1irm n SER 43 N 0.02 -0.72 0.00 6.55 3.41 -1.26 -4.76 113.62 116.85 1irm n SER 43 Ca 0.00 1.52 0.00 0.00 -0.26 0.00 0.00 58.87 60.13 1irm n SER 43 Cb 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1irm n SER 43 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1irm n ARG 44 N -5.19 0.00 0.00 4.33 0.63 -1.26 -4.87 116.66 110.31 1irm n ARG 44 Ca 0.06 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.07 1irm n ARG 44 Cb 0.29 0.00 0.51 0.00 0.45 0.00 0.00 32.46 33.72 1irm n ARG 44 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1irm n GLU 45 N 0.00 0.67 -0.02 -0.14 4.07 -1.26 0.49 120.64 124.45 1irm n GLU 45 Ca 0.00 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.89 1irm n GLU 45 Cb 0.00 -1.40 -0.13 0.00 -0.06 0.00 0.00 31.44 29.84 1irm n GLU 45 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1irm n GLY 46 N 0.31 -0.59 0.11 8.31 0.00 -1.26 -3.32 105.19 108.75 1irm n GLY 46 Ca 0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 1irm n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1irm h PHE 47 N -0.12 -0.25 -0.82 1.61 3.57 -0.92 -0.46 116.94 119.55 1irm h PHE 47 Ca -0.43 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.16 1irm h PHE 47 Cb 1.90 0.08 -0.11 0.00 2.79 0.00 0.00 35.95 40.61 1irm h PHE 47 CO 0.08 -0.15 -0.41 1.63 -2.23 0.00 0.00 178.31 177.22 1irm n LYS 48 N -2.83 -0.29 -0.12 1.11 5.02 0.18 0.11 118.16 121.34 1irm n LYS 48 Ca -0.03 1.25 -0.14 0.00 -2.02 0.00 0.00 58.31 57.37 1irm n LYS 48 Cb 0.10 -1.85 -0.10 0.00 -0.02 0.00 0.00 35.03 33.17 1irm n LYS 48 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1irm h LEU 49 N 0.00 -1.86 -1.24 -0.35 6.46 -1.54 0.28 115.31 117.07 1irm h LEU 49 Ca 0.20 0.24 0.02 0.00 -0.12 0.00 0.00 57.88 58.22 1irm h LEU 49 Cb 0.40 0.76 -0.04 0.00 -0.73 0.00 0.00 40.66 41.05 1irm h LEU 49 CO -0.79 -0.41 0.52 0.58 -0.62 0.00 0.00 178.44 177.72 1irm h VAL 50 N -0.42 1.15 0.77 1.05 2.07 0.12 0.20 116.25 121.20 1irm h VAL 50 Ca 0.07 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1irm h VAL 50 Cb 0.61 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1irm h VAL 50 CO -0.58 0.18 -0.45 0.24 0.02 0.00 0.00 177.57 176.99 1irm h MET 51 N 1.01 -1.09 -0.22 1.57 2.86 0.31 0.60 114.93 119.98 1irm h MET 51 Ca 0.31 0.07 0.06 0.00 -2.06 0.00 0.00 59.70 58.08 1irm h MET 51 Cb -0.02 0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1irm h MET 51 CO -0.08 -0.73 0.21 0.00 1.06 0.00 0.00 176.91 177.37 1irm h ALA 52 N -1.28 1.94 -0.17 6.32 0.00 -0.18 0.72 119.26 126.61 1irm h ALA 52 Ca -0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1irm h ALA 52 Cb 0.90 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1irm h ALA 52 CO 0.12 -0.32 -0.30 0.77 0.00 0.00 0.00 179.25 179.52 1irm h SER 53 N 0.00 0.57 1.27 0.00 0.02 -0.31 -2.58 113.55 112.52 1irm h SER 53 Ca 0.10 -0.54 -0.04 0.00 -0.84 0.00 0.00 61.79 60.48 1irm h SER 53 Cb 0.51 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1irm h SER 53 CO -0.00 1.00 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.44 1irm h LEU 54 N 0.16 0.00 -0.56 5.07 3.38 0.48 -2.53 115.31 121.31 1irm h LEU 54 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1irm h LEU 54 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1irm h LEU 54 CO 0.07 0.18 -0.61 0.22 0.09 0.00 0.00 178.44 178.39 1irm h TYR 55 N 0.00 0.00 -0.00 1.13 3.20 0.24 -2.79 116.97 118.75 1irm h TYR 55 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1irm h TYR 55 Cb 0.86 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1irm h TYR 55 CO 0.00 0.61 -0.18 0.72 -1.64 0.00 0.00 178.16 177.66 1irm n HIS 56 N -3.56 0.00 -0.08 -3.82 8.25 -0.98 -3.26 115.22 111.77 1irm n HIS 56 Ca -0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1irm n HIS 56 Cb 0.67 -0.37 -0.12 0.00 1.12 0.00 0.00 29.99 31.28 1irm n HIS 56 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1irm n ILE 57 N -1.43 1.61 -0.01 1.59 5.41 -1.03 -4.39 119.36 121.10 1irm n ILE 57 Ca 0.07 -0.36 -0.10 0.00 1.00 0.00 0.00 62.75 63.36 1irm n ILE 57 Cb 0.33 -1.83 0.05 0.00 -0.71 0.00 0.00 39.64 37.47 1irm n ILE 57 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1irm h TYR 58 N -0.53 0.76 -0.03 1.39 0.05 -1.63 -1.61 116.97 115.37 1irm h TYR 58 Ca -0.47 -0.26 0.01 0.00 0.05 0.00 0.00 58.73 58.06 1irm h TYR 58 Cb 1.67 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 39.24 1irm h TYR 58 CO 0.05 1.00 -0.16 1.15 -1.05 0.00 0.00 178.16 179.15 1irm h THR 59 N 0.48 0.00 -0.17 -2.88 2.02 -1.78 2.09 112.91 112.67 1irm h THR 59 Ca 0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.25 1irm h THR 59 Cb 1.06 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.41 1irm h THR 59 CO 0.10 0.00 -0.33 0.00 0.37 0.00 0.00 175.52 175.66 1irm h ALA 60 N -1.11 -0.36 0.05 6.16 0.00 -1.76 0.80 119.26 123.04 1irm h ALA 60 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1irm h ALA 60 Cb 0.21 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1irm h ALA 60 CO -0.13 -0.80 -0.11 1.25 0.00 0.00 0.00 179.25 179.47 1irm h LEU 61 N -0.38 -0.32 0.00 0.00 5.85 -0.85 0.31 115.31 119.93 1irm h LEU 61 Ca 0.11 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1irm h LEU 61 Cb 0.55 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1irm h LEU 61 CO -0.38 -0.12 0.00 -0.62 -0.34 0.00 0.00 178.44 176.97 1irm n GLU 62 N -3.02 0.03 -0.13 1.25 1.02 0.70 -0.41 120.64 120.08 1irm n GLU 62 Ca -0.02 0.25 -0.21 0.00 -0.02 0.00 0.00 57.16 57.17 1irm n GLU 62 Cb 0.09 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.90 1irm n GLU 62 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1irm n GLU 63 N -1.27 0.62 0.14 3.49 0.28 0.26 -3.78 120.64 120.39 1irm n GLU 63 Ca 0.01 0.17 0.04 0.00 -0.16 0.00 0.00 57.16 57.22 1irm n GLU 63 Cb 0.02 -1.50 0.44 0.00 1.43 0.00 0.00 31.44 31.83 1irm n GLU 63 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1irm h GLU 64 N -0.24 0.19 -0.22 3.44 4.39 0.77 0.40 114.58 123.31 1irm h GLU 64 Ca -0.60 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.00 1irm h GLU 64 Cb 1.81 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.42 1irm h GLU 64 CO -0.17 0.30 -0.12 0.82 -1.16 0.00 0.00 179.01 178.68 1irm h ILE 65 N 0.19 1.20 -0.06 3.13 2.04 -0.92 -1.90 117.51 121.20 1irm h ILE 65 Ca 0.04 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 1irm h ILE 65 Cb 0.29 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1irm h ILE 65 CO 0.02 0.29 -0.12 -0.33 0.00 0.00 0.00 178.15 178.01 1irm h GLU 66 N 0.34 0.18 0.00 2.37 4.39 -0.76 -2.74 114.58 118.36 1irm h GLU 66 Ca 0.07 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1irm h GLU 66 Cb 0.43 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1irm h GLU 66 CO 0.02 0.70 0.45 -0.09 -1.16 0.00 0.00 179.01 178.94 1irm h ARG 67 N -0.31 0.00 -0.70 2.33 2.43 0.38 -0.74 114.38 117.77 1irm h ARG 67 Ca 0.00 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 1irm h ARG 67 Cb 0.69 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.83 1irm h ARG 67 CO 0.03 0.00 -1.02 0.09 -1.51 0.00 0.00 179.97 177.56 1irm n ASN 68 N -2.55 2.75 -1.82 -3.80 4.13 -0.84 -4.92 115.26 108.21 1irm n ASN 68 Ca -0.01 -2.75 -0.14 0.00 1.68 0.00 0.00 54.58 53.35 1irm n ASN 68 Cb 0.48 -0.45 0.03 0.00 -1.54 0.00 0.00 39.78 38.31 1irm n ASN 68 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1irm n LYS 69 N -0.53 1.68 0.00 3.52 2.85 -0.29 -3.82 118.16 121.57 1irm n LYS 69 Ca 0.20 -1.34 0.00 0.00 -1.05 0.00 0.00 58.31 56.12 1irm n LYS 69 Cb 0.84 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 33.69 1irm n LYS 69 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1irm n GLN 70 N 0.48 0.00 -3.75 -1.58 6.02 -1.26 -5.01 117.38 112.27 1irm n GLN 70 Ca 0.26 -0.02 -0.35 0.00 -0.01 0.00 0.00 57.00 56.88 1irm n GLN 70 Cb 0.59 -0.05 -0.08 0.00 1.02 0.00 0.00 30.24 31.71 1irm n GLN 70 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1irm s ASN 71 N 0.00 6.17 0.27 1.08 3.84 -1.25 -4.92 114.94 120.13 1irm s ASN 71 Ca 0.00 0.22 0.08 0.00 0.21 0.00 0.00 52.86 53.37 1irm s ASN 71 Cb 0.00 -2.08 0.81 0.00 -0.55 0.00 0.00 41.25 39.43 1irm s ASN 71 CO 0.00 0.18 1.27 -2.65 -2.79 0.00 0.00 177.10 173.11 1irm n PRO 72 N 3.50 -0.06 0.00 0.43 -0.02 -1.26 0.47 135.00 138.06 1irm n PRO 72 Ca -0.16 1.17 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1irm n PRO 72 Cb 0.52 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1irm n PRO 72 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1irm n VAL 73 N -5.02 0.00 0.00 -1.45 0.24 -1.26 -3.75 118.33 107.09 1irm n VAL 73 Ca 0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 1irm n VAL 73 Cb 0.80 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 1irm n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1irm n TYR 74 N -0.25 0.00 -0.28 6.34 9.36 -0.42 -4.59 117.16 127.32 1irm n TYR 74 Ca 0.00 0.00 0.26 0.00 3.32 0.00 0.00 57.90 61.48 1irm n TYR 74 Cb 0.07 0.00 0.48 0.00 -0.63 0.00 0.00 39.34 39.26 1irm n TYR 74 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1irm n ALA 75 N -0.27 0.84 1.57 2.98 0.00 0.18 0.34 120.51 126.13 1irm n ALA 75 Ca 0.00 0.89 0.12 0.00 0.00 0.00 0.00 53.44 54.45 1irm n ALA 75 Cb 0.00 -0.86 0.73 0.00 0.00 0.00 0.00 19.45 19.32 1irm n ALA 75 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1irm n PRO 76 N -4.99 0.78 -0.30 0.00 -0.02 -1.26 -3.22 135.00 125.98 1irm n PRO 76 Ca 0.31 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1irm n PRO 76 Cb 1.06 -1.49 0.21 0.00 -0.02 0.00 0.00 33.50 33.26 1irm n PRO 76 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1irm n LEU 77 N -0.99 3.32 -4.47 2.45 4.77 0.15 -4.81 117.00 117.43 1irm n LEU 77 Ca 0.18 -2.91 -0.44 0.00 -0.03 0.00 0.00 56.01 52.82 1irm n LEU 77 Cb 0.08 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1irm n LEU 77 CO 0.14 0.68 1.14 -0.47 -1.33 0.00 0.00 177.39 177.54 1irm s TYR 78 N -2.61 3.15 -0.66 -1.77 5.04 -1.20 -4.87 117.35 114.43 1irm s TYR 78 Ca 0.36 -1.52 0.05 0.00 -2.44 0.00 0.00 57.07 53.52 1irm s TYR 78 Cb 0.29 -4.33 0.30 0.00 0.35 0.00 0.00 41.96 38.57 1irm s TYR 78 CO 0.07 -1.51 0.96 1.19 -1.34 0.00 0.00 175.55 174.92 1irm n PHE 79 N 6.57 3.73 -0.23 4.97 3.72 -1.26 -4.98 117.46 129.98 1irm n PHE 79 Ca 0.28 -3.90 -0.10 0.00 -0.05 0.00 0.00 57.45 53.68 1irm n PHE 79 Cb 0.48 -0.60 -0.06 0.00 -0.94 0.00 0.00 39.48 38.35 1irm n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1irm h PRO 80 N 3.65 -0.22 -0.00 -1.08 0.13 -2.00 -2.41 132.00 130.07 1irm h PRO 80 Ca 0.19 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1irm h PRO 80 Cb 0.56 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1irm h PRO 80 CO 0.88 -0.15 -0.01 0.39 -0.23 0.00 0.00 178.00 178.89 1irm n GLU 81 N -5.37 1.03 -0.01 0.86 -0.58 -1.26 -2.98 120.64 112.33 1irm n GLU 81 Ca 0.01 -0.14 0.10 0.00 -0.42 0.00 0.00 57.16 56.70 1irm n GLU 81 Cb 0.33 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.56 1irm n GLU 81 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1irm n GLU 82 N -0.86 0.58 0.02 3.49 4.71 -0.93 -4.63 120.64 123.02 1irm n GLU 82 Ca 0.22 -0.17 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1irm n GLU 82 Cb 0.16 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1irm n GLU 82 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1irm n LEU 83 N -2.17 0.09 -0.95 -4.62 4.77 -1.11 -4.79 117.00 108.23 1irm n LEU 83 Ca -0.04 0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1irm n LEU 83 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1irm n LEU 83 CO 0.40 -0.32 0.15 1.41 -1.33 0.00 0.00 177.39 177.70 1irm n HIS 84 N -2.90 0.19 0.24 -1.77 8.25 -1.16 -4.87 115.22 113.20 1irm n HIS 84 Ca 0.00 0.23 0.09 0.00 -0.26 0.00 0.00 57.72 57.77 1irm n HIS 84 Cb 0.22 -0.44 -0.13 0.00 1.12 0.00 0.00 29.99 30.76 1irm n HIS 84 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1irm n ARG 85 N 0.45 0.74 0.00 -0.41 3.00 -1.26 -4.83 116.66 114.35 1irm n ARG 85 Ca 0.05 -0.12 0.00 0.00 -0.01 0.00 0.00 57.85 57.77 1irm n ARG 85 Cb 0.01 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.07 1irm n ARG 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1irm n ARG 86 N -1.92 0.00 0.26 5.56 5.12 -1.26 -2.17 116.66 122.25 1irm n ARG 86 Ca -0.01 0.71 0.10 0.00 -1.93 0.00 0.00 57.85 56.72 1irm n ARG 86 Cb 0.41 -1.09 0.68 0.00 -1.16 0.00 0.00 32.46 31.31 1irm n ARG 86 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1irm h ALA 87 N -0.83 1.62 -0.48 7.54 0.00 -1.98 -1.89 119.26 123.23 1irm h ALA 87 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1irm h ALA 87 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1irm h ALA 87 CO 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 179.25 179.14 1irm h ALA 88 N 1.91 0.70 0.00 0.00 0.00 -1.75 0.16 119.26 120.29 1irm h ALA 88 Ca -0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1irm h ALA 88 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1irm h ALA 88 CO 0.01 0.67 -0.44 -0.07 0.00 0.00 0.00 179.25 179.43 1irm h LEU 89 N 0.85 0.00 -0.56 0.00 3.38 -1.05 -0.82 115.31 117.11 1irm h LEU 89 Ca 0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1irm h LEU 89 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1irm h LEU 89 CO 0.07 0.44 -0.57 -0.33 0.09 0.00 0.00 178.44 178.13 1irm h GLU 90 N 0.00 0.45 0.00 1.13 5.08 -0.76 0.98 114.58 121.47 1irm h GLU 90 Ca -0.00 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 1irm h GLU 90 Cb 1.07 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1irm h GLU 90 CO 0.06 0.90 -0.29 1.96 -1.00 0.00 0.00 179.01 180.63 1irm h GLN 91 N 0.34 0.00 0.10 2.33 1.08 -0.18 -3.28 115.11 115.50 1irm h GLN 91 Ca 0.00 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.87 1irm h GLN 91 Cb 1.10 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.52 1irm h GLN 91 CO 0.10 0.29 -1.77 -0.44 -0.95 0.00 0.00 178.83 176.07 1irm h ASP 92 N 0.00 0.33 0.02 1.46 3.45 -0.70 -3.32 116.42 117.66 1irm h ASP 92 Ca -0.00 -0.84 0.00 0.00 0.43 0.00 0.00 57.03 56.62 1irm h ASP 92 Cb 0.86 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.53 1irm h ASP 92 CO 0.04 1.75 0.00 0.23 -1.57 0.00 0.00 179.24 179.69 1irm n MET 93 N -3.75 0.05 -0.02 3.56 2.81 0.34 0.50 117.12 120.60 1irm n MET 93 Ca -0.31 0.16 0.04 0.00 -1.81 0.00 0.00 57.70 55.78 1irm n MET 93 Cb 0.95 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.84 1irm n MET 93 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1irm n ALA 94 N -1.17 2.36 0.27 3.04 0.00 -1.24 -2.81 120.51 120.96 1irm n ALA 94 Ca 0.01 -0.50 0.12 0.00 0.00 0.00 0.00 53.44 53.07 1irm n ALA 94 Cb 0.01 -0.42 0.08 0.00 0.00 0.00 0.00 19.45 19.13 1irm n ALA 94 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1irm h PHE 95 N 0.00 0.00 0.00 0.00 3.57 -0.05 -3.03 116.94 117.43 1irm h PHE 95 Ca -0.09 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.13 1irm h PHE 95 Cb 0.98 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 1irm h PHE 95 CO 0.00 0.00 -2.05 0.91 -2.23 0.00 0.00 178.31 174.94 1irm n TRP 96 N -2.56 0.00 -0.63 0.41 7.02 0.76 -4.76 117.44 117.68 1irm n TRP 96 Ca 0.02 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.52 1irm n TRP 96 Cb 0.51 -0.73 0.04 0.00 -2.42 0.00 0.00 31.31 28.71 1irm n TRP 96 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1irm n TYR 97 N -2.80 0.00 -4.05 -5.99 4.01 -1.12 -5.08 117.16 102.13 1irm n TYR 97 Ca -0.29 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 56.94 1irm n TYR 97 Cb 0.92 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 1irm n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1irm n GLY 98 N -0.63 -1.90 0.07 2.72 0.00 -1.15 -4.14 105.19 100.17 1irm n GLY 98 Ca 0.04 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 1irm n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1irm h PRO 99 N 0.00 0.06 -2.10 1.61 0.11 -1.90 -3.20 132.00 126.60 1irm h PRO 99 Ca 0.00 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.91 1irm h PRO 99 Cb 0.00 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 1irm h PRO 99 CO 0.00 0.51 -0.30 0.72 -0.21 0.00 0.00 178.00 178.71 1irm n HIS 100 N -4.82 0.00 0.14 0.65 8.25 -1.26 -4.38 115.22 113.81 1irm n HIS 100 Ca -0.08 -1.35 -0.24 0.00 -0.26 0.00 0.00 57.72 55.79 1irm n HIS 100 Cb 0.26 -1.48 -0.16 0.00 1.12 0.00 0.00 29.99 29.73 1irm n HIS 100 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1irm h TRP 101 N 3.28 0.96 -0.52 4.41 5.08 -1.71 -2.82 115.95 124.63 1irm h TRP 101 Ca 0.17 -0.70 0.05 0.00 1.08 0.00 0.00 58.89 59.50 1irm h TRP 101 Cb 1.37 -0.04 -0.08 0.00 -3.00 0.00 0.00 29.16 27.40 1irm h TRP 101 CO 1.70 1.54 -0.50 1.96 -1.28 0.00 0.00 178.44 181.86 1irm h GLN 102 N 0.15 -0.24 0.00 0.12 1.08 -1.89 0.40 115.11 114.74 1irm h GLN 102 Ca -0.25 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1irm h GLN 102 Cb 2.15 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.63 1irm h GLN 102 CO 0.27 -0.16 -0.35 -1.91 -0.95 0.00 0.00 178.83 175.73 1irm n GLU 103 N -5.04 0.09 0.01 1.46 4.07 -1.26 -3.86 120.64 116.11 1irm n GLU 103 Ca -0.02 0.04 -0.09 0.00 -0.06 0.00 0.00 57.16 57.04 1irm n GLU 103 Cb 0.28 -1.57 -0.13 0.00 -0.06 0.00 0.00 31.44 29.96 1irm n GLU 103 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1irm h ALA 104 N 2.85 0.58 -2.70 4.31 0.00 -1.05 -3.46 119.26 119.78 1irm h ALA 104 Ca 0.00 -1.24 -0.52 0.00 0.00 0.00 0.00 54.91 53.15 1irm h ALA 104 Cb 0.58 0.24 0.03 0.00 0.00 0.00 0.00 17.79 18.63 1irm h ALA 104 CO 0.00 1.43 0.59 0.96 0.00 0.00 0.00 179.25 182.23 1irm s ILE 105 N -2.64 3.38 0.80 0.00 -4.36 0.13 -5.02 121.20 113.49 1irm s ILE 105 Ca -0.03 1.19 -0.11 0.00 -0.26 0.00 0.00 60.65 61.44 1irm s ILE 105 Cb 0.09 -3.76 0.07 0.00 1.25 0.00 0.00 42.46 40.11 1irm s ILE 105 CO 0.82 0.20 1.09 -2.16 0.24 0.00 0.00 174.94 175.14 1irm s PRO 106 N -0.46 2.02 -0.45 0.37 0.04 -1.26 -4.99 135.00 130.26 1irm s PRO 106 Ca 0.53 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.60 1irm s PRO 106 Cb -0.34 -1.88 0.19 0.00 0.04 0.00 0.00 34.50 32.50 1irm s PRO 106 CO 0.39 -1.76 0.52 0.98 0.04 0.00 0.00 177.00 177.17 1irm n TYR 107 N -3.57 -2.05 -0.66 0.56 9.36 -1.26 -4.76 117.16 114.77 1irm n TYR 107 Ca 0.08 -2.56 -0.31 0.00 3.32 0.00 0.00 57.90 58.43 1irm n TYR 107 Cb 0.54 0.72 0.18 0.00 -0.63 0.00 0.00 39.34 40.14 1irm n TYR 107 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1irm n THR 108 N 2.70 0.00 -0.23 2.97 -2.24 -1.26 -4.77 114.28 111.45 1irm n THR 108 Ca 0.24 -0.22 -0.06 0.00 -2.27 0.00 0.00 64.05 61.74 1irm n THR 108 Cb 0.52 -0.80 0.08 0.00 -2.10 0.00 0.00 70.33 68.03 1irm n THR 108 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1irm h PRO 109 N -2.01 1.08 -0.37 -0.78 0.11 -2.01 -2.03 132.00 125.99 1irm h PRO 109 Ca -0.50 -0.25 -0.09 0.00 0.11 0.00 0.00 66.00 65.28 1irm h PRO 109 Cb 1.31 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1irm h PRO 109 CO 0.40 0.95 -0.14 0.00 -0.21 0.00 0.00 178.00 179.00 1irm h ALA 110 N 1.16 1.06 -0.35 -0.75 0.00 -1.93 -1.43 119.26 117.01 1irm h ALA 110 Ca 0.22 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1irm h ALA 110 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1irm h ALA 110 CO -0.00 0.57 0.05 1.15 0.00 0.00 0.00 179.25 181.02 1irm h THR 111 N 0.60 1.18 0.00 0.00 2.02 -1.84 -1.02 112.91 113.85 1irm h THR 111 Ca 0.10 -0.69 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 1irm h THR 111 Cb 0.59 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1irm h THR 111 CO 0.04 0.24 -0.27 1.56 0.37 0.00 0.00 175.52 177.46 1irm h GLN 112 N 0.52 0.00 0.00 6.66 4.20 -0.55 -2.99 115.11 122.94 1irm h GLN 112 Ca 0.12 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.70 1irm h GLN 112 Cb 0.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1irm h GLN 112 CO 0.00 0.27 -0.64 1.25 -0.67 0.00 0.00 178.83 179.05 1irm h HIS 113 N 0.00 0.00 0.13 2.96 2.76 -0.57 -2.95 115.15 117.48 1irm h HIS 113 Ca -0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1irm h HIS 113 Cb 0.65 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.61 1irm h HIS 113 CO 0.00 0.57 -0.06 -0.92 -1.30 0.00 0.00 177.93 176.22 1irm h TYR 114 N 0.00 -0.16 -1.07 5.26 5.03 -1.39 -3.09 116.97 121.55 1irm h TYR 114 Ca -0.02 -0.00 0.29 0.00 2.58 0.00 0.00 58.73 61.58 1irm h TYR 114 Cb 1.45 0.05 -0.08 0.00 1.55 0.00 0.00 36.73 39.71 1irm h TYR 114 CO 0.00 0.31 0.72 0.28 -1.32 0.00 0.00 178.16 178.15 1irm h VAL 115 N -0.84 0.49 0.12 1.81 2.07 -1.61 -0.98 116.25 117.31 1irm h VAL 115 Ca -0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1irm h VAL 115 Cb 0.55 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1irm h VAL 115 CO 0.03 0.04 -0.06 0.50 0.02 0.00 0.00 177.57 178.11 1irm h LYS 116 N 0.24 -0.15 0.00 1.57 1.63 -1.53 0.36 116.57 118.68 1irm h LYS 116 Ca 0.57 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.38 1irm h LYS 116 Cb 1.75 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.42 1irm h LYS 116 CO -0.19 0.30 0.00 -2.13 -3.45 0.00 0.00 179.45 173.98 1irm n ARG 117 N -4.86 0.03 -0.09 1.90 3.00 -1.02 0.11 116.66 115.73 1irm n ARG 117 Ca -0.07 0.32 -0.15 0.00 -0.00 0.00 0.00 57.85 57.95 1irm n ARG 117 Cb 0.26 -1.50 -0.09 0.00 0.00 0.00 0.00 32.46 31.13 1irm n ARG 117 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1irm h LEU 118 N 0.00 0.00 -0.49 6.15 5.85 -1.06 -3.01 115.31 122.75 1irm h LEU 118 Ca 0.00 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 1irm h LEU 118 Cb 0.13 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1irm h LEU 118 CO 0.00 1.17 0.06 0.45 -0.34 0.00 0.00 178.44 179.78 1irm h HIS 119 N -1.00 0.88 -0.86 1.25 3.86 0.10 0.04 115.15 119.43 1irm h HIS 119 Ca -0.18 -0.13 0.10 0.00 -1.16 0.00 0.00 60.37 58.99 1irm h HIS 119 Cb 0.98 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 29.16 1irm h HIS 119 CO 0.07 0.81 0.56 0.93 0.86 0.00 0.00 177.93 181.16 1irm h GLU 120 N 0.69 0.81 0.01 2.45 5.08 0.55 -2.83 114.58 121.35 1irm h GLU 120 Ca 0.15 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1irm h GLU 120 Cb 0.42 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1irm h GLU 120 CO 0.01 0.54 -0.12 0.28 -1.00 0.00 0.00 179.01 178.72 1irm h VAL 121 N 0.83 1.73 0.00 3.13 2.07 -1.36 -3.26 116.25 119.40 1irm h VAL 121 Ca 0.40 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.57 1irm h VAL 121 Cb 0.42 3.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1irm h VAL 121 CO -0.16 0.60 0.00 0.61 0.02 0.00 0.00 177.57 178.63 1irm n GLY 122 N 1.60 -0.05 0.00 2.17 0.00 -0.02 -1.95 105.19 106.94 1irm n GLY 122 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1irm n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irm n GLY 123 N -0.80 0.00 0.00 -0.02 0.00 -1.09 -4.78 105.19 98.49 1irm n GLY 123 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1irm n GLY 123 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1irm n THR 124 N -1.28 0.00 -2.79 2.61 -2.24 -1.20 -4.91 114.28 104.48 1irm n THR 124 Ca 0.00 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 1irm n THR 124 Cb 0.23 1.18 0.05 0.00 -2.10 0.00 0.00 70.33 69.69 1irm n THR 124 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1irm n HIS 125 N -0.32 -2.87 1.37 4.78 -0.00 -0.99 -5.02 115.22 112.16 1irm n HIS 125 Ca 0.00 -2.07 0.01 0.00 -0.00 0.00 0.00 57.72 55.65 1irm n HIS 125 Cb 0.04 1.41 0.03 0.00 -0.00 0.00 0.00 29.99 31.47 1irm n HIS 125 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1irm n PRO 126 N 1.11 1.23 0.00 -0.41 -0.04 -0.82 -3.58 135.00 132.48 1irm n PRO 126 Ca 0.09 -0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.44 1irm n PRO 126 Cb 0.65 -1.28 0.40 0.00 -0.04 0.00 0.00 33.50 33.23 1irm n PRO 126 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1irm n GLU 127 N -0.15 1.80 0.00 0.54 0.00 -1.26 -3.04 120.64 118.52 1irm n GLU 127 Ca 0.02 -1.20 0.03 0.00 0.00 0.00 0.00 57.16 56.02 1irm n GLU 127 Cb 0.18 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 30.11 1irm n GLU 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1irm n LEU 128 N 0.45 0.52 0.30 -1.84 4.77 -1.24 -4.28 117.00 115.68 1irm n LEU 128 Ca 0.17 -0.57 0.17 0.00 -0.03 0.00 0.00 56.01 55.76 1irm n LEU 128 Cb 0.42 0.00 0.92 0.00 -2.33 0.00 0.00 43.42 42.43 1irm n LEU 128 CO 0.17 0.12 1.08 0.25 -1.33 0.00 0.00 177.39 177.67 1irm h LEU 129 N 0.21 0.00 -1.38 2.23 5.85 -1.72 0.11 115.31 120.62 1irm h LEU 129 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1irm h LEU 129 Cb 0.19 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1irm h LEU 129 CO 0.00 0.04 0.19 1.62 -0.34 0.00 0.00 178.44 179.95 1irm h VAL 130 N 0.00 1.16 -0.27 1.05 3.04 -1.74 -2.83 116.25 116.65 1irm h VAL 130 Ca -0.00 -0.48 -0.12 0.00 -1.01 0.00 0.00 66.70 65.09 1irm h VAL 130 Cb 0.18 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.08 1irm h VAL 130 CO 0.01 0.19 -0.33 0.00 -1.01 0.00 0.00 177.57 176.42 1irm h ALA 131 N 1.60 0.92 0.17 3.17 0.00 -1.04 -3.15 119.26 120.93 1irm h ALA 131 Ca 0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1irm h ALA 131 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1irm h ALA 131 CO -0.02 0.62 -0.08 0.45 0.00 0.00 0.00 179.25 180.22 1irm h HIS 132 N 0.49 -0.21 -0.07 0.00 -0.00 -1.52 -0.88 115.15 112.96 1irm h HIS 132 Ca 0.06 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.44 1irm h HIS 132 Cb 0.82 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 28.29 1irm h HIS 132 CO 0.03 0.18 0.21 0.00 -0.00 0.00 0.00 177.93 178.35 1irm h ALA 133 N 0.01 1.41 0.00 2.45 0.00 -1.62 0.13 119.26 121.64 1irm h ALA 133 Ca -0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1irm h ALA 133 Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1irm h ALA 133 CO 0.04 -0.24 -0.30 -0.92 0.00 0.00 0.00 179.25 177.82 1irm h TYR 134 N 0.00 0.00 -0.92 0.00 3.20 -1.46 -3.13 116.97 114.66 1irm h TYR 134 Ca 0.03 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.03 1irm h TYR 134 Cb 0.45 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.64 1irm h TYR 134 CO 0.00 0.99 0.59 1.15 -1.64 0.00 0.00 178.16 179.25 1irm h THR 135 N -1.00 0.89 0.00 1.81 2.02 -0.03 -3.07 112.91 113.53 1irm h THR 135 Ca -0.08 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1irm h THR 135 Cb 0.97 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1irm h THR 135 CO -0.05 0.15 0.00 0.54 0.37 0.00 0.00 175.52 176.53 1irm n ARG 136 N -4.57 0.00 -0.22 6.66 5.12 0.34 -3.26 116.66 120.73 1irm n ARG 136 Ca 0.17 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 56.03 1irm n ARG 136 Cb 0.39 -0.03 -0.05 0.00 -1.16 0.00 0.00 32.46 31.61 1irm n ARG 136 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1irm n TYR 137 N 0.00 -0.23 0.11 -1.55 4.01 -1.18 0.19 117.16 118.51 1irm n TYR 137 Ca 0.00 0.66 -0.03 0.00 -0.16 0.00 0.00 57.90 58.38 1irm n TYR 137 Cb 0.00 -0.51 0.18 0.00 -0.31 0.00 0.00 39.34 38.70 1irm n TYR 137 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1irm h LEU 138 N 0.00 0.16 -0.92 7.72 3.38 -1.70 1.73 115.31 125.69 1irm h LEU 138 Ca 0.08 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1irm h LEU 138 Cb 0.22 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1irm h LEU 138 CO -0.50 0.67 -0.52 1.23 0.09 0.00 0.00 178.44 179.41 1irm h GLY 139 N 1.48 0.05 0.79 0.83 0.00 -0.11 -2.81 103.07 103.30 1irm h GLY 139 Ca -0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 47.33 46.93 1irm h GLY 139 CO 0.08 0.05 -1.86 -0.55 0.00 0.00 0.00 176.54 174.25 1irm h ASP 140 N 0.03 0.41 0.01 0.19 3.32 0.25 -3.43 116.42 117.21 1irm h ASP 140 Ca -0.00 -0.80 -0.00 0.00 0.02 0.00 0.00 57.03 56.25 1irm h ASP 140 Cb 0.94 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1irm h ASP 140 CO 0.07 1.70 -0.01 0.25 -1.72 0.00 0.00 179.24 179.54 1irm h LEU 141 N 0.07 -0.01 0.00 1.55 5.85 0.26 -3.39 115.31 119.64 1irm h LEU 141 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1irm h LEU 141 Cb 2.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.08 1irm h LEU 141 CO 0.11 -0.01 0.00 -1.20 -0.34 0.00 0.00 178.44 177.01 1irm n SER 142 N -2.05 0.00 -4.44 1.25 7.64 -1.06 -1.97 113.62 112.97 1irm n SER 142 Ca -0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 1irm n SER 142 Cb 0.01 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1irm n SER 142 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1irm s GLY 143 N 0.00 2.25 0.00 0.23 0.00 -1.26 -4.97 107.32 103.57 1irm s GLY 143 Ca 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 44.72 41.60 1irm s GLY 143 CO 0.00 1.96 0.00 0.61 0.00 0.00 0.00 173.10 175.67 1irm n GLY 144 N 4.66 -1.81 2.09 0.20 0.00 -0.83 -4.11 105.19 105.38 1irm n GLY 144 Ca 0.29 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 1irm n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irm n GLN 145 N 0.00 1.86 0.00 1.61 0.00 -1.26 -3.44 117.38 116.15 1irm n GLN 145 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 57.00 56.04 1irm n GLN 145 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 30.24 28.25 1irm n GLN 145 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1irm n VAL 146 N 2.65 0.00 -0.02 -0.39 0.24 -1.26 -3.70 118.33 115.85 1irm n VAL 146 Ca 0.40 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1irm n VAL 146 Cb 0.76 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 1irm n VAL 146 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1irm n LEU 147 N -0.78 0.86 -0.10 1.34 0.00 -1.22 -4.29 117.00 112.81 1irm n LEU 147 Ca 0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 56.01 54.88 1irm n LEU 147 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.35 1irm n LEU 147 CO 0.00 0.21 -1.19 1.17 0.00 0.00 0.00 177.39 177.59 1irm n LYS 148 N -0.12 0.44 -0.65 1.96 4.81 -1.26 -2.93 118.16 120.42 1irm n LYS 148 Ca 0.00 0.19 -0.04 0.00 -0.87 0.00 0.00 58.31 57.59 1irm n LYS 148 Cb 0.01 -1.25 -0.04 0.00 0.02 0.00 0.00 35.03 33.77 1irm n LYS 148 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1irm n LYS 149 N -3.96 1.30 0.00 1.64 4.81 -1.24 -2.96 118.16 117.74 1irm n LYS 149 Ca -0.40 -0.36 0.00 0.00 -0.87 0.00 0.00 58.31 56.68 1irm n LYS 149 Cb 0.77 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 34.54 1irm n LYS 149 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1irm n ILE 150 N 1.63 0.00 0.01 3.15 5.41 -1.26 -4.77 119.36 123.52 1irm n ILE 150 Ca 0.12 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.69 1irm n ILE 150 Cb 0.60 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.40 1irm n ILE 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1irm h ALA 151 N 0.00 -0.00 0.00 -1.39 0.00 -1.47 -3.20 119.26 113.19 1irm h ALA 151 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1irm h ALA 151 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1irm h ALA 151 CO 0.00 0.29 -0.07 -0.56 0.00 0.00 0.00 179.25 178.91 1irm h GLN 152 N -0.34 0.00 -0.83 0.00 3.07 -1.77 -2.41 115.11 112.83 1irm h GLN 152 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.63 1irm h GLN 152 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.91 1irm h GLN 152 CO 0.11 0.07 0.02 1.63 0.09 0.00 0.00 178.83 180.76 1irm n LYS 153 N -3.13 2.68 -2.69 0.06 5.02 -1.24 -2.62 118.16 116.23 1irm n LYS 153 Ca 0.03 -1.42 -0.07 0.00 -2.02 0.00 0.00 58.31 54.83 1irm n LYS 153 Cb 0.50 -1.83 0.11 0.00 -0.02 0.00 0.00 35.03 33.79 1irm n LYS 153 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1irm n ALA 154 N 0.24 1.76 -0.33 7.82 0.00 -0.92 -4.88 120.51 124.21 1irm n ALA 154 Ca 0.14 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1irm n ALA 154 Cb 0.71 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1irm n ALA 154 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1irm n MET 155 N -0.61 0.00 -3.75 0.00 2.81 -1.17 -4.90 117.12 109.50 1irm n MET 155 Ca -0.02 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.64 1irm n MET 155 Cb 0.85 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 33.38 1irm n MET 155 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1irm n ALA 156 N 0.00 -2.05 -2.85 3.04 0.00 -1.23 -4.98 120.51 112.43 1irm n ALA 156 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 1irm n ALA 156 Cb 0.08 -1.99 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 1irm n ALA 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1irm s LEU 157 N -6.71 3.95 0.38 0.00 1.02 -1.08 -5.09 118.68 111.16 1irm s LEU 157 Ca 0.03 -0.12 -0.27 0.00 0.02 0.00 0.00 54.13 53.79 1irm s LEU 157 Cb -0.01 -2.51 -0.11 0.00 0.02 0.00 0.00 46.19 43.58 1irm s LEU 157 CO 0.83 -0.00 1.38 -2.65 0.02 0.00 0.00 176.35 175.93 1irm n PRO 158 N -0.92 2.33 0.17 1.29 -0.02 -1.26 -4.79 135.00 131.80 1irm n PRO 158 Ca -0.08 0.82 0.13 0.00 -2.02 0.00 0.00 63.50 62.35 1irm n PRO 158 Cb 0.56 -2.50 0.38 0.00 -0.02 0.00 0.00 33.50 31.92 1irm n PRO 158 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1irm h SER 159 N 2.61 0.00 0.59 2.55 4.64 -1.93 -3.07 113.55 118.93 1irm h SER 159 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1irm h SER 159 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1irm h SER 159 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 1irm n SER 160 N -2.65 0.00 0.00 4.97 3.41 -1.26 -4.89 113.62 113.20 1irm n SER 160 Ca 0.04 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1irm n SER 160 Cb 0.42 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1irm n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1irm n GLY 161 N 0.80 1.44 2.48 5.00 0.00 -1.16 -5.07 105.19 108.69 1irm n GLY 161 Ca 0.09 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1irm n GLY 161 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1irm n GLU 162 N 0.00 0.00 0.00 1.61 2.13 -1.26 -0.52 120.64 122.60 1irm n GLU 162 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1irm n GLU 162 Cb 0.00 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 30.71 1irm n GLU 162 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1irm n GLY 163 N 1.14 2.63 2.74 8.31 0.00 -1.26 -4.37 105.19 114.39 1irm n GLY 163 Ca 0.14 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 1irm n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1irm n LEU 164 N 0.00 6.40 0.07 0.99 4.77 0.32 -4.67 117.00 124.88 1irm n LEU 164 Ca 0.00 -5.45 0.11 0.00 -0.03 0.00 0.00 56.01 50.65 1irm n LEU 164 Cb 0.00 -1.01 0.02 0.00 -2.33 0.00 0.00 43.42 40.10 1irm n LEU 164 CO 0.00 2.09 0.01 0.00 -1.33 0.00 0.00 177.39 178.16 1irm n ALA 165 N 0.08 2.76 0.46 -1.18 0.00 -1.26 -3.67 120.51 117.70 1irm n ALA 165 Ca 0.40 -0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1irm n ALA 165 Cb 0.31 -1.07 0.47 0.00 0.00 0.00 0.00 19.45 19.16 1irm n ALA 165 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1irm n PHE 166 N -2.43 0.86 -0.07 0.00 7.35 -1.26 -2.89 117.46 119.03 1irm n PHE 166 Ca 0.01 0.31 0.09 0.00 -0.76 0.00 0.00 57.45 57.10 1irm n PHE 166 Cb 0.51 -1.01 0.22 0.00 0.35 0.00 0.00 39.48 39.56 1irm n PHE 166 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1irm n PHE 167 N -2.26 0.62 -5.08 -5.13 3.72 -1.24 -4.94 117.46 103.14 1irm n PHE 167 Ca 0.03 -0.40 -0.29 0.00 -0.05 0.00 0.00 57.45 56.74 1irm n PHE 167 Cb 0.29 -0.01 -0.16 0.00 -0.94 0.00 0.00 39.48 38.66 1irm n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1irm s THR 168 N -1.12 1.79 -0.41 4.37 2.01 -1.14 -4.62 115.64 116.51 1irm s THR 168 Ca 0.35 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1irm s THR 168 Cb 0.19 -1.52 0.12 0.00 0.01 0.00 0.00 72.50 71.30 1irm s THR 168 CO 0.26 0.50 0.19 -0.36 -0.69 0.00 0.00 174.62 174.52 1irm s PHE 169 N -0.06 2.43 -1.53 4.92 0.40 -1.26 -4.98 117.98 117.89 1irm s PHE 169 Ca -0.04 -2.52 0.00 0.00 -0.60 0.00 0.00 56.93 53.77 1irm s PHE 169 Cb -0.13 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.21 1irm s PHE 169 CO 0.03 -0.82 0.37 -0.35 0.70 0.00 0.00 175.22 175.16 1irm n PRO 170 N 3.83 0.49 -1.50 0.24 -0.04 -1.26 -2.41 135.00 134.35 1irm n PRO 170 Ca 0.05 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.55 1irm n PRO 170 Cb 0.37 -1.12 0.05 0.00 -0.04 0.00 0.00 33.50 32.76 1irm n PRO 170 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1irm n SER 171 N -0.15 1.21 -3.43 3.54 7.64 -1.26 -4.97 113.62 116.20 1irm n SER 171 Ca 0.00 -2.29 -0.24 0.00 1.01 0.00 0.00 58.87 57.35 1irm n SER 171 Cb 0.06 -0.35 -0.10 0.00 -1.01 0.00 0.00 64.21 62.81 1irm n SER 171 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1irm s ILE 172 N -0.84 -0.06 0.09 0.44 1.01 -1.01 -4.80 121.20 116.03 1irm s ILE 172 Ca 0.34 -1.37 -0.19 0.00 0.00 0.00 0.00 60.65 59.43 1irm s ILE 172 Cb 0.38 -0.94 -0.08 0.00 0.01 0.00 0.00 42.46 41.83 1irm s ILE 172 CO -0.14 -0.82 1.56 -0.78 0.00 0.00 0.00 174.94 174.76 1irm h ASP 173 N 7.12 0.39 -3.53 3.58 3.58 -1.93 -3.38 116.42 122.26 1irm h ASP 173 Ca 0.04 -0.26 -0.61 0.00 0.42 0.00 0.00 57.03 56.62 1irm h ASP 173 Cb 1.01 -0.10 -0.40 0.00 1.72 0.00 0.00 39.33 41.55 1irm h ASP 173 CO 0.25 0.55 -0.73 0.21 -2.88 0.00 0.00 179.24 176.64 1irm s ASN 174 N -5.83 3.91 0.21 2.28 3.84 -1.26 -5.00 114.94 113.09 1irm s ASN 174 Ca -0.14 -2.39 -0.06 0.00 0.21 0.00 0.00 52.86 50.48 1irm s ASN 174 Cb 0.08 -1.11 0.17 0.00 -0.55 0.00 0.00 41.25 39.84 1irm s ASN 174 CO 0.73 -0.31 1.69 1.55 -2.79 0.00 0.00 177.10 177.97 1irm h PRO 175 N 7.10 0.96 0.00 0.43 0.13 -1.99 -0.50 132.00 138.14 1irm h PRO 175 Ca -0.05 -0.29 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1irm h PRO 175 Cb 0.95 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1irm h PRO 175 CO 0.50 0.95 -0.04 1.79 -0.23 0.00 0.00 178.00 180.97 1irm h THR 176 N 0.89 0.32 0.00 1.56 1.35 -1.94 0.82 112.91 115.91 1irm h THR 176 Ca 0.16 -0.26 -0.18 0.00 -0.55 0.00 0.00 66.41 65.58 1irm h THR 176 Cb 0.52 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 68.10 1irm h THR 176 CO 0.03 0.04 -1.29 0.11 -0.25 0.00 0.00 175.52 174.16 1irm h LYS 177 N 0.00 0.00 -0.11 4.72 1.57 -1.80 -3.20 116.57 117.74 1irm h LYS 177 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1irm h LYS 177 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1irm h LYS 177 CO 0.01 0.40 -0.38 0.35 -0.57 0.00 0.00 179.45 179.25 1irm h PHE 178 N 0.00 0.28 -0.62 -1.35 3.57 0.72 -2.63 116.94 116.90 1irm h PHE 178 Ca -0.15 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.26 1irm h PHE 178 Cb 1.63 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 40.28 1irm h PHE 178 CO 0.00 0.60 0.31 0.87 -2.23 0.00 0.00 178.31 177.86 1irm h LYS 179 N 0.21 0.89 -0.21 1.11 1.57 -1.19 0.21 116.57 119.15 1irm h LYS 179 Ca 0.02 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1irm h LYS 179 Cb 0.77 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1irm h LYS 179 CO 0.06 0.70 0.03 -0.56 -0.57 0.00 0.00 179.45 179.11 1irm h GLN 180 N 0.85 0.29 0.00 3.15 3.07 -1.48 0.34 115.11 121.34 1irm h GLN 180 Ca 0.22 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.92 1irm h GLN 180 Cb 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.60 1irm h GLN 180 CO -0.03 0.30 -0.18 1.25 0.09 0.00 0.00 178.83 180.25 1irm h LEU 181 N 0.29 0.00 0.02 0.06 5.85 -0.92 -1.46 115.31 119.16 1irm h LEU 181 Ca 0.07 -0.03 -0.39 0.00 0.84 0.00 0.00 57.88 58.37 1irm h LEU 181 Cb 0.15 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1irm h LEU 181 CO -0.00 0.02 -2.33 0.00 -0.34 0.00 0.00 178.44 175.78 1irm n TYR 182 N -2.56 0.30 -0.24 1.25 4.19 -0.05 -3.51 117.16 116.53 1irm n TYR 182 Ca 0.04 0.08 -0.07 0.00 3.31 0.00 0.00 57.90 61.26 1irm n TYR 182 Cb 0.48 -1.04 0.06 0.00 0.49 0.00 0.00 39.34 39.33 1irm n TYR 182 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1irm h ARG 183 N -0.21 1.12 -0.46 2.98 3.08 -1.05 -2.02 114.38 117.82 1irm h ARG 183 Ca -0.56 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.18 1irm h ARG 183 Cb 1.85 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.73 1irm h ARG 183 CO -0.12 0.99 0.11 0.00 -1.07 0.00 0.00 179.97 179.88 1irm h ALA 184 N 1.11 1.34 0.00 0.04 0.00 -1.44 -0.54 119.26 119.77 1irm h ALA 184 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1irm h ALA 184 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1irm h ALA 184 CO 0.00 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1irm h ARG 185 N 0.67 0.00 -0.00 0.00 2.47 -1.42 -0.35 114.38 115.75 1irm h ARG 185 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1irm h ARG 185 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1irm h ARG 185 CO -0.00 0.00 -0.08 -1.33 0.56 0.00 0.00 179.97 179.12 1irm n MET 186 N -2.65 0.29 0.04 0.04 2.81 -0.22 -3.21 117.12 114.23 1irm n MET 186 Ca 0.01 -0.05 0.08 0.00 -1.81 0.00 0.00 57.70 55.93 1irm n MET 186 Cb 0.25 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.18 1irm n MET 186 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1irm n ASN 187 N -1.31 0.52 0.12 7.83 4.13 -0.14 -3.92 115.26 122.49 1irm n ASN 187 Ca 0.11 0.21 0.03 0.00 1.68 0.00 0.00 54.58 56.61 1irm n ASN 187 Cb 0.29 0.93 0.01 0.00 -1.54 0.00 0.00 39.78 39.47 1irm n ASN 187 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1irm h THR 188 N 0.00 0.61 -1.68 3.41 1.35 -1.53 -3.44 112.91 111.63 1irm h THR 188 Ca -0.07 -1.94 -0.49 0.00 -0.55 0.00 0.00 66.41 63.36 1irm h THR 188 Cb 1.19 2.20 0.01 0.00 -1.73 0.00 0.00 68.15 69.82 1irm h THR 188 CO 0.01 0.35 1.61 0.18 -0.25 0.00 0.00 175.52 177.42 1irm n LEU 189 N -3.08 2.53 -4.77 3.87 4.32 -1.23 -4.94 117.00 113.70 1irm n LEU 189 Ca -0.01 -0.34 -0.40 0.00 -0.02 0.00 0.00 56.01 55.24 1irm n LEU 189 Cb 0.73 -1.58 -0.06 0.00 -1.62 0.00 0.00 43.42 40.89 1irm n LEU 189 CO 0.41 -1.37 0.51 -0.70 -1.22 0.00 0.00 177.39 175.01 1irm s GLU 190 N 7.85 4.60 -0.24 3.23 2.12 -1.26 -5.04 118.70 129.95 1irm s GLU 190 Ca 0.99 1.20 -0.26 0.00 0.36 0.00 0.00 54.97 57.26 1irm s GLU 190 Cb -0.22 -3.28 0.11 0.00 0.26 0.00 0.00 34.13 31.00 1irm s GLU 190 CO 0.28 0.51 0.94 0.00 -0.54 0.00 0.00 175.26 176.46 1irm s MET 191 N -0.96 0.63 0.08 4.30 0.23 -1.26 -4.80 119.30 117.51 1irm s MET 191 Ca 0.37 0.58 -0.01 0.00 -1.03 0.00 0.00 55.69 55.60 1irm s MET 191 Cb -0.23 0.30 0.02 0.00 -1.53 0.00 0.00 34.83 33.39 1irm s MET 191 CO 0.27 -0.11 0.06 0.25 -2.03 0.00 0.00 175.02 173.46 1irm n THR 192 N 1.98 0.00 0.01 3.16 -2.24 -1.26 -4.78 114.28 111.15 1irm n THR 192 Ca -0.13 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1irm n THR 192 Cb 0.56 -0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.11 1irm n THR 192 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1irm h PRO 193 N 0.00 0.10 0.00 -0.78 0.11 -2.02 -2.91 132.00 126.50 1irm h PRO 193 Ca -0.02 -0.17 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 1irm h PRO 193 Cb 0.07 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 1irm h PRO 193 CO 0.01 0.80 -0.00 1.49 -0.21 0.00 0.00 178.00 180.09 1irm h GLU 194 N 0.03 0.00 0.00 1.05 4.22 -2.00 -2.14 114.58 115.74 1irm h GLU 194 Ca -0.28 0.00 -0.25 0.00 0.08 0.00 0.00 59.36 58.91 1irm h GLU 194 Cb 2.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.21 1irm h GLU 194 CO 0.10 0.00 -1.50 0.28 -2.18 0.00 0.00 179.01 175.71 1irm n VAL 195 N -3.13 1.51 0.00 0.32 0.31 -1.26 -3.83 118.33 112.26 1irm n VAL 195 Ca -0.02 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1irm n VAL 195 Cb 0.11 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 1irm n VAL 195 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1irm n LYS 196 N -4.41 0.00 -0.03 5.55 4.81 -1.08 0.19 118.16 123.18 1irm n LYS 196 Ca -0.34 0.33 -0.07 0.00 -0.87 0.00 0.00 58.31 57.36 1irm n LYS 196 Cb 0.67 -1.64 -0.14 0.00 0.02 0.00 0.00 35.03 33.94 1irm n LYS 196 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1irm n HIS 197 N -1.32 0.67 0.03 5.64 -0.00 -0.83 -3.72 115.22 115.70 1irm n HIS 197 Ca 0.00 0.24 -0.08 0.00 0.46 0.00 0.00 57.72 58.33 1irm n HIS 197 Cb 0.14 -1.09 -0.13 0.00 -0.12 0.00 0.00 29.99 28.79 1irm n HIS 197 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1irm h ARG 198 N 0.00 0.02 -0.50 1.57 3.08 0.19 -2.56 114.38 116.18 1irm h ARG 198 Ca -0.33 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.63 1irm h ARG 198 Cb 1.97 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 32.01 1irm h ARG 198 CO 0.06 0.84 0.10 0.28 -1.07 0.00 0.00 179.97 180.17 1irm h VAL 199 N 0.01 1.25 -0.10 2.04 2.07 -1.09 -0.74 116.25 119.68 1irm h VAL 199 Ca -0.12 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1irm h VAL 199 Cb 1.87 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1irm h VAL 199 CO 0.12 0.32 -0.21 0.71 0.02 0.00 0.00 177.57 178.53 1irm h THR 200 N 0.70 1.40 0.00 2.57 1.35 -1.66 -2.47 112.91 114.79 1irm h THR 200 Ca 0.15 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.49 1irm h THR 200 Cb 0.37 2.14 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1irm h THR 200 CO 0.01 0.43 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.32 1irm h GLU 201 N -0.14 0.00 -0.05 4.72 4.39 -1.46 -2.73 114.58 119.31 1irm h GLU 201 Ca 0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1irm h GLU 201 Cb 0.80 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1irm h GLU 201 CO 0.05 0.06 -0.91 1.49 -1.16 0.00 0.00 179.01 178.54 1irm h GLU 202 N 0.00 0.70 -0.84 2.33 4.57 -1.08 -2.82 114.58 117.44 1irm h GLU 202 Ca -0.00 -0.69 -0.02 0.00 -1.18 0.00 0.00 59.36 57.47 1irm h GLU 202 Cb 0.47 0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.20 1irm h GLU 202 CO 0.01 1.28 0.46 0.00 -1.18 0.00 0.00 179.01 179.57 1irm h ALA 203 N 0.44 1.07 -0.96 2.92 0.00 -1.14 0.13 119.26 121.72 1irm h ALA 203 Ca -0.10 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1irm h ALA 203 Cb 1.56 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1irm h ALA 203 CO 0.18 0.58 0.63 0.87 0.00 0.00 0.00 179.25 181.51 1irm h LYS 204 N 1.17 1.19 -0.04 0.00 1.79 -1.54 2.66 116.57 121.81 1irm h LYS 204 Ca 0.29 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.73 1irm h LYS 204 Cb 0.03 -0.27 -0.05 0.00 -1.58 0.00 0.00 32.23 30.36 1irm h LYS 204 CO -0.05 0.79 -0.30 1.15 -1.08 0.00 0.00 179.45 179.97 1irm h THR 205 N 1.23 0.34 0.00 -0.16 2.02 -0.57 3.51 112.91 119.27 1irm h THR 205 Ca 0.37 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.49 1irm h THR 205 Cb -0.04 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1irm h THR 205 CO -0.11 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.48 1irm h ALA 206 N 0.37 1.25 0.00 6.16 0.00 0.73 2.90 119.26 130.67 1irm h ALA 206 Ca 0.07 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1irm h ALA 206 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1irm h ALA 206 CO -0.28 0.38 -0.43 0.27 0.00 0.00 0.00 179.25 179.19 1irm h PHE 207 N 0.00 0.00 0.12 0.00 -5.15 0.78 0.11 116.94 112.80 1irm h PHE 207 Ca -0.00 0.00 -0.27 0.00 -0.20 0.00 0.00 57.97 57.50 1irm h PHE 207 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.81 1irm h PHE 207 CO 0.00 0.43 -1.36 1.25 -2.00 0.00 0.00 178.31 176.63 1irm h LEU 208 N 0.00 0.40 -1.63 2.10 5.85 0.82 -3.26 115.31 119.60 1irm h LEU 208 Ca -0.00 -0.87 -0.02 0.00 0.84 0.00 0.00 57.88 57.82 1irm h LEU 208 Cb 0.96 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1irm h LEU 208 CO 0.06 1.60 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.66 1irm h LEU 209 N -0.29 0.18 0.10 2.25 3.38 0.53 -2.41 115.31 119.05 1irm h LEU 209 Ca -0.29 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1irm h LEU 209 Cb 1.76 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1irm h LEU 209 CO 0.07 0.25 -0.05 -1.13 0.09 0.00 0.00 178.44 177.67 1irm h ASN 210 N 0.20 -0.11 0.06 -0.43 -0.00 -0.90 -3.23 115.58 111.17 1irm h ASN 210 Ca 0.05 -0.42 0.01 0.00 -0.00 0.00 0.00 56.30 55.94 1irm h ASN 210 Cb 0.18 0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 38.51 1irm h ASN 210 CO 0.01 0.41 -0.13 0.40 -0.00 0.00 0.00 177.43 178.12 1irm h ILE 211 N -0.68 0.70 -0.59 2.57 2.04 -1.58 -1.65 117.51 118.33 1irm h ILE 211 Ca -0.01 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.02 1irm h ILE 211 Cb 0.53 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1irm h ILE 211 CO 0.02 0.00 0.66 1.05 0.00 0.00 0.00 178.15 179.88 1irm h GLU 212 N -0.24 0.00 0.03 2.37 4.11 -1.54 -2.06 114.58 117.24 1irm h GLU 212 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 1irm h GLU 212 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1irm h GLU 212 CO -0.08 0.00 -0.01 1.25 0.07 0.00 0.00 179.01 180.24 1irm h LEU 213 N 0.00 -0.03 0.00 3.06 5.85 -1.32 -2.63 115.31 120.24 1irm h LEU 213 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1irm h LEU 213 Cb 1.60 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1irm h LEU 213 CO -0.00 0.04 0.00 0.49 -0.34 0.00 0.00 178.44 178.62 1irm n PHE 214 N -2.43 0.00 -0.13 1.25 3.01 -0.97 -0.29 117.46 117.90 1irm n PHE 214 Ca -0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.25 1irm n PHE 214 Cb 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.37 1irm n PHE 214 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1irm n GLU 215 N -0.87 0.61 0.14 -1.08 1.02 -0.81 -3.66 120.64 115.99 1irm n GLU 215 Ca 0.00 0.17 -0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1irm n GLU 215 Cb 0.00 -1.49 0.24 0.00 -0.02 0.00 0.00 31.44 30.17 1irm n GLU 215 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1irm h GLU 216 N -0.25 0.05 0.00 3.49 4.81 -0.25 -0.47 114.58 121.96 1irm h GLU 216 Ca -0.59 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 1irm h GLU 216 Cb 1.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.18 1irm h GLU 216 CO -0.17 0.55 0.00 1.28 -0.73 0.00 0.00 179.01 179.94 1irm n LEU 217 N -3.94 0.14 -0.07 1.64 4.77 0.58 0.96 117.00 121.09 1irm n LEU 217 Ca -0.02 0.52 -0.19 0.00 -0.03 0.00 0.00 56.01 56.29 1irm n LEU 217 Cb 0.53 -0.48 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 1irm n LEU 217 CO 0.41 -0.13 -1.11 1.67 -1.33 0.00 0.00 177.39 176.90 1irm n GLN 218 N -1.64 0.70 0.11 3.23 7.27 -0.80 -4.17 117.38 122.08 1irm n GLN 218 Ca 0.06 0.19 0.00 0.00 0.07 0.00 0.00 57.00 57.32 1irm n GLN 218 Cb 0.30 -1.60 -0.02 0.00 2.41 0.00 0.00 30.24 31.33 1irm n GLN 218 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1irm h ALA 219 N 0.07 0.62 0.00 1.69 0.00 -0.96 -3.15 119.26 117.53 1irm h ALA 219 Ca -0.51 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1irm h ALA 219 Cb 1.97 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1irm h ALA 219 CO -0.01 0.78 0.00 1.25 0.00 0.00 0.00 179.25 181.27 1irm h LEU 220 N 0.00 0.00 0.00 0.00 6.46 0.41 -2.60 115.31 119.58 1irm h LEU 220 Ca -0.03 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.48 1irm h LEU 220 Cb 1.48 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.37 1irm h LEU 220 CO 0.07 0.00 -1.32 -0.07 -0.62 0.00 0.00 178.44 176.50 1irm h LEU 221 N 0.00 0.00 -0.41 2.25 3.38 -1.71 -3.40 115.31 115.43 1irm h LEU 221 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1irm h LEU 221 Cb 0.45 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1irm h LEU 221 CO 0.00 0.97 -0.24 0.35 0.09 0.00 0.00 178.44 179.61 1irm n THR 222 N -3.19 -0.27 -3.51 0.22 -2.24 -0.98 -2.65 114.28 101.66 1irm n THR 222 Ca -0.08 0.98 -0.42 0.00 -2.27 0.00 0.00 64.05 62.26 1irm n THR 222 Cb 0.98 -1.22 -0.06 0.00 -2.10 0.00 0.00 70.33 67.94 1irm n THR 222 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1irm s GLU 223 N -5.21 3.13 -0.40 -0.78 8.01 -1.26 -4.94 118.70 117.24 1irm s GLU 223 Ca -0.05 -2.50 0.06 0.00 0.01 0.00 0.00 54.97 52.49 1irm s GLU 223 Cb 0.05 -4.11 0.17 0.00 -4.31 0.00 0.00 34.13 25.93 1irm s GLU 223 CO 0.25 -1.24 0.53 -1.21 0.01 0.00 0.00 175.26 173.61 1irm s GLU 224 N 0.05 0.77 0.00 1.61 0.41 -1.08 -5.11 118.70 115.35 1irm s GLU 224 Ca 0.17 -0.62 0.00 0.00 -0.41 0.00 0.00 54.97 54.11 1irm s GLU 224 Cb -0.15 -0.28 0.00 0.00 -1.78 0.00 0.00 34.13 31.92 1irm s GLU 224 CO -0.06 -1.21 0.40 -2.39 -0.49 0.00 0.00 175.26 171.51