#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irm h GLU 32 N 0.00 -0.51 0.00 -1.46 4.81 -2.01 -3.14 114.58 112.27 1irm h GLU 32 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1irm h GLU 32 Cb 0.00 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1irm h GLU 32 CO 0.00 -0.24 0.00 0.34 -0.73 0.00 0.00 179.01 178.38 1irm n PHE 33 N -5.14 0.00 0.20 0.92 7.35 -1.26 -2.36 117.46 117.17 1irm n PHE 33 Ca -0.08 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.53 1irm n PHE 33 Cb 0.26 -0.01 -0.04 0.00 0.35 0.00 0.00 39.48 40.04 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 -0.51 0.00 -4.13 1.85 -1.89 -3.10 114.93 107.15 1irm h MET 34 Ca 0.00 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1irm h MET 34 Cb 0.01 0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.15 1irm h MET 34 CO 0.00 -0.34 0.00 0.00 -0.40 0.00 0.00 176.91 176.17 1irm h ARG 35 N -0.75 0.00 0.00 0.39 -0.00 -1.61 -3.02 114.38 109.39 1irm h ARG 35 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 1irm h ARG 35 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.37 1irm h ARG 35 CO 0.09 0.00 0.00 -0.97 0.00 0.00 0.00 179.97 179.09 1irm h ASN 36 N 0.00 0.00 0.00 7.04 -0.73 -1.44 -3.13 115.58 117.32 1irm h ASN 36 Ca 0.00 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.02 1irm h ASN 36 Cb 0.47 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 1irm h ASN 36 CO 0.00 0.00 -1.26 0.33 -0.37 0.00 0.00 177.43 176.13 1irm n PHE 37 N -2.40 0.48 0.00 0.67 -0.00 -1.14 0.10 117.46 115.18 1irm n PHE 37 Ca 0.03 0.21 0.00 0.00 -0.00 0.00 0.00 57.45 57.69 1irm n PHE 37 Cb 0.29 -0.82 0.00 0.00 -0.00 0.00 0.00 39.48 38.96 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 -4.45 0.00 0.00 -4.13 6.02 -1.22 -4.27 117.38 109.33 1irm n GLN 38 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 1irm n GLN 38 Cb 0.56 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.82 1irm n GLN 38 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1irm n LYS 39 N 0.00 0.00 0.00 -1.09 4.81 -1.19 -4.52 118.16 116.18 1irm n LYS 39 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1irm n LYS 39 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.00 1.08 0.00 3.14 0.00 -1.26 -5.03 105.19 103.12 1irm n GLY 40 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.99 1.61 -0.06 -1.26 -4.69 117.38 108.98 1irm n GLN 41 Ca 0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.66 1irm n GLN 41 Cb 0.00 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.17 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 -1.65 -0.23 1.69 3.14 0.29 -4.75 118.33 116.82 1irm n VAL 42 Ca 0.00 -0.44 -0.09 0.00 -2.96 0.00 0.00 64.34 60.85 1irm n VAL 42 Cb 0.00 -1.44 0.01 0.00 -1.06 0.00 0.00 33.84 31.35 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 -1.71 -0.94 0.00 6.55 3.41 -1.26 -2.53 113.62 117.13 1irm n SER 43 Ca -0.14 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1irm n SER 43 Cb 0.48 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.58 0.00 0.29 4.33 0.63 -1.26 0.52 116.66 121.75 1irm n ARG 44 Ca -0.00 0.67 0.17 0.00 -0.92 0.00 0.00 57.85 57.76 1irm n ARG 44 Cb 0.16 -1.40 0.91 0.00 0.45 0.00 0.00 32.46 32.58 1irm n ARG 44 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1irm h GLU 45 N 0.00 0.00 0.33 -0.14 4.57 -2.00 -2.64 114.58 114.70 1irm h GLU 45 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1irm h GLU 45 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1irm h GLU 45 CO 0.00 0.04 -0.16 0.78 -1.18 0.00 0.00 179.01 178.50 1irm h GLY 46 N 0.55 -0.46 -0.60 1.92 0.00 -1.65 -2.64 103.07 100.18 1irm h GLY 46 Ca -0.00 0.17 0.13 0.00 0.00 0.00 0.00 47.33 47.63 1irm h GLY 46 CO 0.01 -0.17 -0.30 -2.75 0.00 0.00 0.00 176.54 173.33 1irm h PHE 47 N -0.90 -0.79 -0.81 5.60 3.57 0.37 0.12 116.94 124.10 1irm h PHE 47 Ca -0.04 0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.64 1irm h PHE 47 Cb 0.33 0.46 -0.13 0.00 2.79 0.00 0.00 35.95 39.41 1irm h PHE 47 CO 0.02 -0.37 -0.46 -0.22 -2.23 0.00 0.00 178.31 175.05 1irm h LYS 48 N -0.07 -0.10 -0.70 1.11 3.64 -1.54 -1.95 116.57 116.96 1irm h LYS 48 Ca 0.31 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1irm h LYS 48 Cb 0.57 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1irm h LYS 48 CO -0.79 -0.07 0.33 1.25 -2.27 0.00 0.00 179.45 177.90 1irm h LEU 49 N -0.10 0.90 -1.14 5.20 6.46 -0.60 -2.77 115.31 123.25 1irm h LEU 49 Ca 0.23 -0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1irm h LEU 49 Cb 0.54 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 1irm h LEU 49 CO -0.84 0.77 -0.06 0.58 -0.62 0.00 0.00 178.44 178.27 1irm h VAL 50 N 0.99 1.22 0.00 1.05 2.07 -0.74 -2.10 116.25 118.74 1irm h VAL 50 Ca 0.24 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1irm h VAL 50 Cb 0.11 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1irm h VAL 50 CO -0.03 0.30 -0.15 0.24 0.02 0.00 0.00 177.57 177.95 1irm h MET 51 N 0.50 0.00 0.00 1.57 2.86 -1.34 -2.14 114.93 116.39 1irm h MET 51 Ca 0.10 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 1irm h MET 51 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1irm h MET 51 CO 0.02 0.15 -0.42 0.00 1.06 0.00 0.00 176.91 177.72 1irm h ALA 52 N 1.85 0.97 0.03 6.32 0.00 -1.10 -1.65 119.26 125.68 1irm h ALA 52 Ca -0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1irm h ALA 52 Cb 1.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1irm h ALA 52 CO 0.02 0.53 -0.56 0.77 0.00 0.00 0.00 179.25 180.01 1irm h SER 53 N 0.00 0.11 -0.99 0.00 0.02 -1.35 -3.24 113.55 108.10 1irm h SER 53 Ca -0.00 -0.87 0.22 0.00 -0.84 0.00 0.00 61.79 60.30 1irm h SER 53 Cb 0.95 -0.04 -0.09 0.00 0.14 0.00 0.00 62.40 63.37 1irm h SER 53 CO 0.05 1.24 0.63 -0.07 -1.14 0.00 0.00 176.83 177.54 1irm h LEU 54 N -0.83 0.58 -0.42 5.07 3.38 -1.33 0.27 115.31 122.03 1irm h LEU 54 Ca -0.13 0.08 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1irm h LEU 54 Cb 1.25 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.88 1irm h LEU 54 CO -0.02 0.18 -0.38 0.22 0.09 0.00 0.00 178.44 178.54 1irm h TYR 55 N 0.55 -1.08 0.78 1.13 3.20 -1.32 0.14 116.97 120.37 1irm h TYR 55 Ca 0.56 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.46 1irm h TYR 55 Cb 1.17 0.53 -0.00 0.00 1.54 0.00 0.00 36.73 39.97 1irm h TYR 55 CO -0.00 -0.41 -0.49 0.45 -1.64 0.00 0.00 178.16 176.06 1irm h HIS 56 N -0.28 -1.32 -0.47 -3.82 3.86 -0.57 -0.88 115.15 111.67 1irm h HIS 56 Ca 0.16 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.45 1irm h HIS 56 Cb 0.56 0.47 -0.10 0.00 1.06 0.00 0.00 27.41 29.41 1irm h HIS 56 CO -0.59 -0.73 -0.26 0.82 0.86 0.00 0.00 177.93 178.03 1irm h ILE 57 N -1.20 0.30 0.00 2.45 5.03 -1.03 0.87 117.51 123.93 1irm h ILE 57 Ca -0.10 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 1irm h ILE 57 Cb 0.96 0.30 0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1irm h ILE 57 CO 0.10 0.00 0.00 -1.22 -0.68 0.00 0.00 178.15 176.35 1irm n TYR 58 N -5.41 0.00 0.03 1.37 4.01 0.46 0.11 117.16 117.73 1irm n TYR 58 Ca 0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.82 1irm n TYR 58 Cb 0.32 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.28 1irm n TYR 58 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1irm n THR 59 N -0.86 0.00 -0.08 -0.72 -1.04 -0.09 -4.19 114.28 107.29 1irm n THR 59 Ca 0.16 -0.22 -0.17 0.00 -2.04 0.00 0.00 64.05 61.78 1irm n THR 59 Cb 0.07 0.34 -0.12 0.00 -1.82 0.00 0.00 70.33 68.81 1irm n THR 59 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1irm h ALA 60 N 0.88 0.11 0.00 2.41 0.00 0.13 -3.16 119.26 119.64 1irm h ALA 60 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1irm h ALA 60 Cb 0.41 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1irm h ALA 60 CO 0.00 0.31 0.00 -0.11 0.00 0.00 0.00 179.25 179.45 1irm n LEU 61 N -4.54 0.00 -0.03 0.00 7.94 0.30 -3.08 117.00 117.59 1irm n LEU 61 Ca -0.19 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.67 1irm n LEU 61 Cb 0.55 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.47 1irm n LEU 61 CO 0.26 0.00 -0.70 -0.62 -1.11 0.00 0.00 177.39 175.22 1irm n GLU 62 N -0.95 0.15 0.09 1.96 1.02 -1.25 -3.69 120.64 117.96 1irm n GLU 62 Ca 0.08 0.04 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1irm n GLU 62 Cb 0.04 -1.11 0.38 0.00 -0.02 0.00 0.00 31.44 30.73 1irm n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1irm n GLU 63 N -2.70 0.10 0.04 3.49 1.02 -1.19 0.10 120.64 121.49 1irm n GLU 63 Ca -0.11 0.50 0.11 0.00 -0.02 0.00 0.00 57.16 57.64 1irm n GLU 63 Cb 0.61 -1.76 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 1irm n GLU 63 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1irm n GLU 64 N -1.96 0.63 0.14 3.49 -0.58 -1.18 -3.39 120.64 117.80 1irm n GLU 64 Ca 0.00 -0.04 0.07 0.00 -0.42 0.00 0.00 57.16 56.77 1irm n GLU 64 Cb 0.09 -1.67 0.05 0.00 -0.57 0.00 0.00 31.44 29.34 1irm n GLU 64 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1irm h ILE 65 N 0.00 0.37 -0.02 -3.67 2.04 -0.42 -3.29 117.51 112.52 1irm h ILE 65 Ca -0.01 -1.57 -0.05 0.00 1.00 0.00 0.00 64.86 64.23 1irm h ILE 65 Cb 1.02 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1irm h ILE 65 CO 0.00 0.21 -0.19 -0.33 0.00 0.00 0.00 178.15 177.84 1irm h GLU 66 N 0.00 0.16 -0.98 2.37 4.39 -1.26 -3.03 114.58 116.25 1irm h GLU 66 Ca -0.03 -0.15 0.20 0.00 0.34 0.00 0.00 59.36 59.72 1irm h GLU 66 Cb 1.22 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.82 1irm h GLU 66 CO 0.03 0.85 0.62 0.00 -1.16 0.00 0.00 179.01 179.34 1irm h ARG 67 N -0.46 0.61 -0.81 2.33 3.08 -1.63 -3.01 114.38 114.49 1irm h ARG 67 Ca -0.02 -0.04 -0.56 0.00 0.07 0.00 0.00 59.98 59.44 1irm h ARG 67 Cb 0.90 -0.14 -0.42 0.00 0.08 0.00 0.00 29.97 30.39 1irm h ARG 67 CO 0.04 0.40 -0.76 0.09 -1.07 0.00 0.00 179.97 178.67 1irm n ASN 68 N -4.66 5.00 0.22 7.04 4.13 -1.24 -4.79 115.26 120.96 1irm n ASN 68 Ca 0.22 -3.75 0.10 0.00 1.68 0.00 0.00 54.58 52.83 1irm n ASN 68 Cb 0.63 -0.37 0.49 0.00 -1.54 0.00 0.00 39.78 39.00 1irm n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1irm h LYS 69 N 2.20 0.00 0.00 3.52 2.10 -1.39 -2.82 116.57 120.18 1irm h LYS 69 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1irm h LYS 69 Cb 1.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.80 1irm h LYS 69 CO 0.79 0.23 -1.37 0.94 -2.00 0.00 0.00 179.45 178.04 1irm n GLN 70 N -3.48 0.30 -1.73 0.07 -0.06 -1.26 -4.21 117.38 107.01 1irm n GLN 70 Ca -0.00 -0.07 -0.43 0.00 -2.00 0.00 0.00 57.00 54.49 1irm n GLN 70 Cb 0.40 -1.53 -0.03 0.00 -4.06 0.00 0.00 30.24 25.03 1irm n GLN 70 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 1irm s ASN 71 N -3.74 5.55 0.45 1.69 3.84 -1.06 -4.81 114.94 116.86 1irm s ASN 71 Ca 0.01 1.67 0.31 0.00 0.21 0.00 0.00 52.86 55.06 1irm s ASN 71 Cb 0.15 -2.51 1.41 0.00 -0.55 0.00 0.00 41.25 39.74 1irm s ASN 71 CO 0.87 -1.92 1.66 -0.65 -2.79 0.00 0.00 177.10 174.27 1irm h PRO 72 N 14.55 0.12 0.00 0.43 0.11 -1.90 0.29 132.00 145.60 1irm h PRO 72 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1irm h PRO 72 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1irm h PRO 72 CO 0.99 0.08 0.00 1.33 -0.21 0.00 0.00 178.00 180.19 1irm n VAL 73 N -4.56 1.18 0.00 3.15 0.24 -1.26 -4.01 118.33 113.06 1irm n VAL 73 Ca 0.35 0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.94 1irm n VAL 73 Cb 1.38 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 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 -1.36 -0.13 -0.05 6.34 9.36 0.80 -4.63 117.16 127.49 1irm n TYR 74 Ca 0.02 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.28 1irm n TYR 74 Cb 0.05 0.42 0.07 0.00 -0.63 0.00 0.00 39.34 39.25 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 -2.34 0.13 0.00 2.98 0.00 0.02 0.30 120.51 121.59 1irm n ALA 75 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1irm n ALA 75 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -3.62 0.00 0.00 0.00 -0.02 -1.26 -0.75 135.00 129.35 1irm n PRO 76 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1irm n PRO 76 Cb 0.17 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 -0.65 0.41 -4.68 2.45 4.77 0.15 -4.45 117.00 114.99 1irm n LEU 77 Ca 0.00 -0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 55.12 1irm n LEU 77 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1irm n LEU 77 CO 0.00 0.10 1.52 -0.47 -1.33 0.00 0.00 177.39 177.21 1irm s TYR 78 N -0.05 1.80 -0.45 -1.77 5.04 0.07 -4.91 117.35 117.09 1irm s TYR 78 Ca 0.00 -0.19 0.07 0.00 -2.44 0.00 0.00 57.07 54.51 1irm s TYR 78 Cb 0.00 -4.20 0.23 0.00 0.35 0.00 0.00 41.96 38.34 1irm s TYR 78 CO 0.00 -5.11 0.67 1.19 -1.34 0.00 0.00 175.55 170.95 1irm n PHE 79 N 6.45 -2.10 0.08 4.97 3.72 -1.26 -5.03 117.46 124.29 1irm n PHE 79 Ca 0.19 -2.51 -0.12 0.00 -0.05 0.00 0.00 57.45 54.96 1irm n PHE 79 Cb 0.39 0.73 -0.08 0.00 -0.94 0.00 0.00 39.48 39.59 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 4.37 -0.25 0.25 -1.08 0.13 -1.91 -2.64 132.00 130.86 1irm h PRO 80 Ca 0.01 0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1irm h PRO 80 Cb 0.98 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1irm h PRO 80 CO 0.33 0.14 -0.37 0.93 -0.23 0.00 0.00 178.00 178.80 1irm h GLU 81 N -0.78 -0.62 0.00 0.86 5.08 -1.96 -3.11 114.58 114.04 1irm h GLU 81 Ca -0.03 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1irm h GLU 81 Cb 0.51 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1irm h GLU 81 CO 0.04 -0.42 0.00 0.39 -1.00 0.00 0.00 179.01 178.03 1irm n GLU 82 N -4.59 0.00 -3.80 2.33 4.71 -1.26 -4.57 120.64 113.45 1irm n GLU 82 Ca -0.08 0.62 -0.30 0.00 -0.01 0.00 0.00 57.16 57.39 1irm n GLU 82 Cb 0.32 -1.49 -0.15 0.00 -1.01 0.00 0.00 31.44 29.11 1irm n GLU 82 CO 0.00 0.00 0.00 -0.48 0.09 0.00 0.00 177.13 176.74 1irm s LEU 83 N -4.44 2.88 0.00 -4.62 0.05 -0.99 -4.59 118.68 106.96 1irm s LEU 83 Ca 0.00 -1.81 0.00 0.00 0.05 0.00 0.00 54.13 52.37 1irm s LEU 83 Cb 0.00 -1.06 0.00 0.00 -2.05 0.00 0.00 46.19 43.08 1irm s LEU 83 CO 0.00 -0.40 0.00 1.41 -0.55 0.00 0.00 176.35 176.81 1irm n HIS 84 N 4.64 0.00 0.00 3.48 8.25 -1.17 -4.47 115.22 125.95 1irm n HIS 84 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1irm n HIS 84 Cb 0.42 0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 -2.73 0.00 -0.32 -0.41 3.00 -1.26 -4.88 116.66 110.05 1irm n ARG 85 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.85 57.93 1irm n ARG 85 Cb 0.29 0.00 0.26 0.00 0.00 0.00 0.00 32.46 33.00 1irm n ARG 85 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1irm h ARG 86 N 0.00 0.68 -0.44 5.56 1.12 -1.96 -0.47 114.38 118.86 1irm h ARG 86 Ca 0.00 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.81 1irm h ARG 86 Cb 0.00 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 29.79 1irm h ARG 86 CO 0.00 0.45 0.20 0.00 -3.11 0.00 0.00 179.97 177.50 1irm h ALA 87 N 1.59 0.57 -0.48 2.80 0.00 -1.94 -1.69 119.26 120.11 1irm h ALA 87 Ca 0.51 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 1irm h ALA 87 Cb 0.72 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1irm h ALA 87 CO -0.36 0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.01 1irm h ALA 88 N 1.04 0.65 0.00 0.00 0.00 -1.66 -2.16 119.26 117.13 1irm h ALA 88 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1irm h ALA 88 Cb 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1irm h ALA 88 CO -0.02 0.48 0.00 -0.07 0.00 0.00 0.00 179.25 179.65 1irm h LEU 89 N 0.72 0.00 0.00 0.00 3.38 -1.06 0.24 115.31 118.59 1irm h LEU 89 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 1irm h LEU 89 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1irm h LEU 89 CO 0.03 0.00 -0.91 -0.33 0.09 0.00 0.00 178.44 177.32 1irm h GLU 90 N 0.00 0.00 0.06 1.13 5.08 -0.90 -1.55 114.58 118.40 1irm h GLU 90 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1irm h GLU 90 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1irm h GLU 90 CO 0.00 0.57 -1.68 0.37 -1.00 0.00 0.00 179.01 177.27 1irm h GLN 91 N 0.00 0.12 -0.04 2.33 4.15 -0.82 -3.12 115.11 117.72 1irm h GLN 91 Ca -0.06 -0.20 -0.11 0.00 0.77 0.00 0.00 58.65 59.05 1irm h GLN 91 Cb 1.57 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.32 1irm h GLN 91 CO 0.08 0.84 -0.47 -0.44 -1.93 0.00 0.00 178.83 176.90 1irm h ASP 92 N 0.03 0.10 0.31 -0.69 3.45 -0.62 -3.13 116.42 115.88 1irm h ASP 92 Ca -0.29 -0.05 -0.25 0.00 0.43 0.00 0.00 57.03 56.87 1irm h ASP 92 Cb 2.00 -0.03 0.01 0.00 -0.56 0.00 0.00 39.33 40.75 1irm h ASP 92 CO 0.10 0.56 -1.07 0.24 -1.57 0.00 0.00 179.24 177.51 1irm h MET 93 N 0.08 0.46 0.00 3.56 2.86 -1.39 -3.11 114.93 117.39 1irm h MET 93 Ca 0.00 -0.56 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 1irm h MET 93 Cb 0.87 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1irm h MET 93 CO 0.07 1.21 0.00 0.00 1.06 0.00 0.00 176.91 179.24 1irm n ALA 94 N -2.58 1.73 -0.32 6.32 0.00 -1.18 -2.64 120.51 121.85 1irm n ALA 94 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1irm n ALA 94 Cb 0.90 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1irm n ALA 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1irm n PHE 95 N -1.48 0.00 0.34 0.00 7.35 -1.19 -1.34 117.46 121.13 1irm n PHE 95 Ca 0.04 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.89 1irm n PHE 95 Cb 0.18 -0.24 0.85 0.00 0.35 0.00 0.00 39.48 40.61 1irm n PHE 95 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1irm h TRP 96 N 0.00 0.00 0.00 -5.13 4.06 -1.64 -3.24 115.95 110.00 1irm h TRP 96 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1irm h TRP 96 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1irm h TRP 96 CO 0.00 0.00 -1.06 0.66 -3.56 0.00 0.00 178.44 174.48 1irm n TYR 97 N -2.89 0.00 0.00 0.49 4.01 -1.08 -5.13 117.16 112.55 1irm n TYR 97 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1irm n TYR 97 Cb 0.36 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 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 3.21 -0.78 0.26 2.72 0.00 -0.45 -4.64 105.19 105.51 1irm n GLY 98 Ca -0.02 -2.15 0.17 0.00 0.00 0.00 0.00 46.02 44.02 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 1.36 0.00 -2.16 1.61 0.11 -1.95 -3.20 132.00 127.76 1irm h PRO 99 Ca 0.00 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.55 1irm h PRO 99 Cb 0.00 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 30.70 1irm h PRO 99 CO 0.00 0.00 -0.84 0.72 -0.21 0.00 0.00 178.00 177.67 1irm n HIS 100 N -2.72 2.46 0.06 0.65 8.25 -1.26 -4.87 115.22 117.78 1irm n HIS 100 Ca -0.02 -3.93 -0.04 0.00 -0.26 0.00 0.00 57.72 53.47 1irm n HIS 100 Cb 0.09 -0.47 -0.09 0.00 1.12 0.00 0.00 29.99 30.65 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 3.25 0.00 0.00 4.41 5.08 -1.84 -2.86 115.95 123.99 1irm h TRP 101 Ca 0.13 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.10 1irm h TRP 101 Cb 0.70 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.86 1irm h TRP 101 CO 0.67 0.84 0.00 1.96 -1.28 0.00 0.00 178.44 180.63 1irm h GLN 102 N 0.00 0.00 0.00 0.12 4.20 -1.90 -0.61 115.11 116.92 1irm h GLN 102 Ca -0.08 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 1irm h GLN 102 Cb 1.71 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.47 1irm h GLN 102 CO 0.10 0.00 -1.62 0.39 -0.67 0.00 0.00 178.83 177.03 1irm n GLU 103 N -2.55 1.42 0.00 1.46 4.71 -1.22 -4.43 120.64 120.03 1irm n GLU 103 Ca -0.01 -0.05 0.14 0.00 -0.01 0.00 0.00 57.16 57.23 1irm n GLU 103 Cb 0.11 -1.27 0.52 0.00 -1.01 0.00 0.00 31.44 29.80 1irm n GLU 103 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1irm n ALA 104 N -2.16 2.68 -2.24 0.62 0.00 -1.02 -4.82 120.51 113.56 1irm n ALA 104 Ca -0.10 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 1irm n ALA 104 Cb 0.59 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 1irm n ALA 104 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1irm s ILE 105 N -2.11 3.71 -0.36 0.00 -5.25 -0.27 -4.92 121.20 112.01 1irm s ILE 105 Ca 0.36 0.68 -0.28 0.00 -0.99 0.00 0.00 60.65 60.42 1irm s ILE 105 Cb 0.21 -4.10 -0.07 0.00 2.95 0.00 0.00 42.46 41.45 1irm s ILE 105 CO 0.38 -0.79 2.32 -0.81 -1.79 0.00 0.00 174.94 174.24 1irm n PRO 106 N 8.42 1.47 -2.99 0.37 -0.04 -1.26 -4.84 135.00 136.13 1irm n PRO 106 Ca 0.17 0.28 -0.44 0.00 -0.04 0.00 0.00 63.50 63.48 1irm n PRO 106 Cb 0.48 -3.23 0.01 0.00 -0.04 0.00 0.00 33.50 30.72 1irm n PRO 106 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1irm n TYR 107 N 13.33 3.50 -0.62 0.54 4.19 -1.26 -4.51 117.16 132.33 1irm n TYR 107 Ca 0.35 -3.07 -0.31 0.00 3.31 0.00 0.00 57.90 58.18 1irm n TYR 107 Cb 0.46 -1.59 0.20 0.00 0.49 0.00 0.00 39.34 38.90 1irm n TYR 107 CO 0.00 0.00 0.00 0.25 0.91 0.00 0.00 176.86 178.02 1irm n THR 108 N 2.36 0.00 0.24 2.97 -2.24 -1.26 -4.78 114.28 111.56 1irm n THR 108 Ca 0.29 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 1irm n THR 108 Cb 0.36 -0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 67.68 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 -2.20 -0.57 0.00 -0.78 0.11 -1.98 -2.35 132.00 124.22 1irm h PRO 109 Ca -0.53 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1irm h PRO 109 Cb 1.32 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.56 1irm h PRO 109 CO 0.42 -0.30 0.00 0.00 -0.21 0.00 0.00 178.00 177.92 1irm n ALA 110 N -2.45 1.38 -0.01 -0.75 0.00 -1.26 -0.40 120.51 117.02 1irm n ALA 110 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.36 1irm n ALA 110 Cb 0.29 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 1irm n ALA 110 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1irm n THR 111 N -1.05 0.15 0.43 0.00 -1.04 -1.05 -4.03 114.28 107.69 1irm n THR 111 Ca 0.00 -0.27 0.13 0.00 -2.04 0.00 0.00 64.05 61.87 1irm n THR 111 Cb 0.00 0.04 0.47 0.00 -1.82 0.00 0.00 70.33 69.02 1irm n THR 111 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1irm h GLN 112 N 0.00 0.00 0.07 -2.82 4.20 -0.19 -2.90 115.11 113.46 1irm h GLN 112 Ca -0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1irm h GLN 112 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1irm h GLN 112 CO 0.00 0.00 -0.03 1.25 -0.67 0.00 0.00 178.83 179.38 1irm h HIS 113 N 0.00 -0.09 -0.96 2.96 2.76 -1.65 -3.16 115.15 115.01 1irm h HIS 113 Ca 0.00 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1irm h HIS 113 Cb 0.55 0.03 -0.06 0.00 1.55 0.00 0.00 27.41 29.48 1irm h HIS 113 CO 0.00 0.42 0.63 -0.92 -1.30 0.00 0.00 177.93 176.76 1irm h TYR 114 N -0.93 1.15 -0.57 5.26 5.03 -1.68 -1.97 116.97 123.26 1irm h TYR 114 Ca -0.01 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 1irm h TYR 114 Cb 0.55 -0.38 -0.02 0.00 1.55 0.00 0.00 36.73 38.42 1irm h TYR 114 CO 0.13 0.63 0.08 0.28 -1.32 0.00 0.00 178.16 177.96 1irm h VAL 115 N 1.16 1.25 0.49 1.81 2.07 -1.64 -1.60 116.25 119.79 1irm h VAL 115 Ca 0.40 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1irm h VAL 115 Cb 0.10 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1irm h VAL 115 CO -0.14 0.35 -0.23 0.50 0.02 0.00 0.00 177.57 178.07 1irm h LYS 116 N 0.86 -0.63 -0.00 1.57 3.64 -1.35 -1.63 116.57 119.03 1irm h LYS 116 Ca 0.18 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1irm h LYS 116 Cb 0.40 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1irm h LYS 116 CO 0.01 -0.34 -0.00 -0.09 -2.27 0.00 0.00 179.45 176.76 1irm h ARG 117 N -0.85 -0.00 -0.85 1.90 9.65 -1.24 0.64 114.38 123.62 1irm h ARG 117 Ca -0.07 0.00 0.29 0.00 -1.10 0.00 0.00 59.98 59.11 1irm h ARG 117 Cb 0.58 0.00 -0.16 0.00 -1.39 0.00 0.00 29.97 29.01 1irm h ARG 117 CO 0.11 -0.00 0.24 1.28 2.80 0.00 0.00 179.97 184.40 1irm n LEU 118 N -2.79 0.10 0.03 3.80 4.32 -0.61 0.23 117.00 122.08 1irm n LEU 118 Ca -0.00 1.43 0.13 0.00 -0.02 0.00 0.00 56.01 57.55 1irm n LEU 118 Cb 0.00 -0.61 0.54 0.00 -1.62 0.00 0.00 43.42 41.74 1irm n LEU 118 CO -0.00 -1.52 0.92 1.41 -1.22 0.00 0.00 177.39 176.98 1irm n HIS 119 N -5.07 0.25 -0.02 -1.77 8.25 0.18 0.22 115.22 117.25 1irm n HIS 119 Ca 0.26 0.08 0.07 0.00 -0.26 0.00 0.00 57.72 57.86 1irm n HIS 119 Cb 0.87 -0.62 -0.13 0.00 1.12 0.00 0.00 29.99 31.23 1irm n HIS 119 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1irm n GLU 120 N -1.71 0.63 0.05 -0.41 1.02 0.64 -0.21 120.64 120.66 1irm n GLU 120 Ca 0.06 -0.14 -0.16 0.00 -0.02 0.00 0.00 57.16 56.91 1irm n GLU 120 Cb 0.35 -1.41 -0.14 0.00 -0.02 0.00 0.00 31.44 30.22 1irm n GLU 120 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1irm h VAL 121 N 0.00 1.13 0.09 2.62 2.07 0.19 -2.58 116.25 119.76 1irm h VAL 121 Ca -0.06 -2.80 -0.32 0.00 0.82 0.00 0.00 66.70 64.34 1irm h VAL 121 Cb 0.94 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1irm h VAL 121 CO 0.00 0.80 -1.77 0.61 0.02 0.00 0.00 177.57 177.23 1irm n GLY 122 N 1.65 -0.65 0.13 2.17 0.00 0.59 -2.22 105.19 106.87 1irm n GLY 122 Ca -0.16 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 1irm n GLY 122 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1irm h GLY 123 N 0.41 -0.18 -0.07 -0.02 0.00 -0.73 -3.39 103.07 99.09 1irm h GLY 123 Ca -0.40 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1irm h GLY 123 CO -0.01 -0.10 -0.03 -1.30 0.00 0.00 0.00 176.54 175.10 1irm n THR 124 N -5.21 0.98 -2.87 4.70 -2.24 -0.97 -4.88 114.28 103.78 1irm n THR 124 Ca -0.07 -1.07 -0.12 0.00 -2.27 0.00 0.00 64.05 60.52 1irm n THR 124 Cb 0.13 0.41 0.04 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.60 -2.22 -0.27 4.78 8.25 -0.94 -4.98 115.22 119.23 1irm n HIS 125 Ca 0.04 -2.46 0.06 0.00 -0.26 0.00 0.00 57.72 55.10 1irm n HIS 125 Cb 0.41 1.02 0.20 0.00 1.12 0.00 0.00 29.99 32.74 1irm n HIS 125 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1irm h PRO 126 N 3.48 0.49 0.00 -0.41 0.13 -1.72 0.71 132.00 134.68 1irm h PRO 126 Ca -0.06 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1irm h PRO 126 Cb 1.03 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1irm h PRO 126 CO 0.30 0.33 0.00 -0.85 -0.23 0.00 0.00 178.00 177.55 1irm n GLU 127 N -4.95 0.00 -0.04 0.86 0.00 -1.26 -1.14 120.64 114.10 1irm n GLU 127 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.26 1irm n GLU 127 Cb 0.42 -1.18 -0.04 0.00 0.00 0.00 0.00 31.44 30.64 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 -0.66 2.45 -0.25 -1.84 4.77 0.24 -4.68 117.00 117.03 1irm n LEU 128 Ca 0.00 -0.04 0.03 0.00 -0.03 0.00 0.00 56.01 55.97 1irm n LEU 128 Cb 0.00 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 40.96 1irm n LEU 128 CO 0.00 0.55 0.43 -0.11 -1.33 0.00 0.00 177.39 176.93 1irm n LEU 129 N -2.65 -0.29 -0.33 2.23 7.94 -0.29 0.22 117.00 123.83 1irm n LEU 129 Ca -0.14 1.16 0.25 0.00 -1.11 0.00 0.00 56.01 56.17 1irm n LEU 129 Cb 0.67 -0.33 0.48 0.00 0.53 0.00 0.00 43.42 44.77 1irm n LEU 129 CO 0.09 -1.09 1.09 1.62 -1.11 0.00 0.00 177.39 177.99 1irm h VAL 130 N 0.00 0.24 -0.30 1.96 3.04 -1.84 0.21 116.25 119.56 1irm h VAL 130 Ca 0.30 -0.08 0.07 0.00 -1.01 0.00 0.00 66.70 65.97 1irm h VAL 130 Cb 0.47 -0.03 -0.08 0.00 -2.01 0.00 0.00 31.29 29.64 1irm h VAL 130 CO -0.69 0.05 -0.33 0.00 -1.01 0.00 0.00 177.57 175.59 1irm h ALA 131 N 1.88 -0.26 -0.12 3.17 0.00 0.24 0.54 119.26 124.71 1irm h ALA 131 Ca 0.74 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.64 1irm h ALA 131 Cb 1.74 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 20.19 1irm h ALA 131 CO -0.65 -0.76 -0.32 0.45 0.00 0.00 0.00 179.25 177.98 1irm h HIS 132 N -0.31 0.27 0.00 0.00 -0.00 -0.75 -3.21 115.15 111.15 1irm h HIS 132 Ca 0.14 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1irm h HIS 132 Cb 0.54 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 1irm h HIS 132 CO -0.49 0.53 0.00 0.00 -0.00 0.00 0.00 177.93 177.97 1irm n ALA 133 N -2.48 -0.35 -0.04 2.45 0.00 -0.02 -2.34 120.51 117.74 1irm n ALA 133 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1irm n ALA 133 Cb 0.41 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1irm n ALA 133 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1irm n TYR 134 N -2.24 0.00 0.00 0.00 9.36 -0.05 -2.73 117.16 121.49 1irm n TYR 134 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1irm n TYR 134 Cb 0.00 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.69 1irm n TYR 134 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1irm n THR 135 N -1.21 0.00 -0.23 2.97 -1.04 -1.22 -2.65 114.28 110.91 1irm n THR 135 Ca 0.00 0.96 0.18 0.00 -2.04 0.00 0.00 64.05 63.15 1irm n THR 135 Cb 0.00 -1.73 0.30 0.00 -1.82 0.00 0.00 70.33 67.07 1irm n THR 135 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1irm n ARG 136 N -0.66 -0.01 -0.03 -2.82 5.12 -0.99 -2.17 116.66 115.11 1irm n ARG 136 Ca 0.00 0.49 -0.03 0.00 -1.93 0.00 0.00 57.85 56.38 1irm n ARG 136 Cb 0.00 -1.01 -0.01 0.00 -1.16 0.00 0.00 32.46 30.28 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 -3.23 0.04 -0.34 -1.55 4.01 -1.11 -3.85 117.16 111.12 1irm n TYR 137 Ca 0.17 0.02 0.22 0.00 -0.16 0.00 0.00 57.90 58.14 1irm n TYR 137 Cb 0.70 -0.20 0.46 0.00 -0.31 0.00 0.00 39.34 39.98 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 -0.35 0.55 -0.05 7.72 3.38 -1.36 1.47 115.31 126.68 1irm h LEU 138 Ca 0.00 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1irm h LEU 138 Cb 0.33 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1irm h LEU 138 CO 0.00 0.01 -0.07 1.23 0.09 0.00 0.00 178.44 179.70 1irm h GLY 139 N 0.43 0.14 2.00 0.83 0.00 -1.64 2.23 103.07 107.07 1irm h GLY 139 Ca 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1irm h GLY 139 CO -0.47 0.14 0.00 -0.55 0.00 0.00 0.00 176.54 175.66 1irm h ASP 140 N -0.36 0.00 0.00 0.19 5.19 -1.16 -2.66 116.42 117.62 1irm h ASP 140 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1irm h ASP 140 Cb 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1irm h ASP 140 CO 0.02 0.00 -0.07 -0.11 -3.12 0.00 0.00 179.24 175.96 1irm n LEU 141 N -2.98 0.19 -3.32 1.55 0.00 0.49 -4.20 117.00 108.72 1irm n LEU 141 Ca 0.02 0.21 -0.35 0.00 0.00 0.00 0.00 56.01 55.88 1irm n LEU 141 Cb 0.34 -0.53 -0.03 0.00 0.00 0.00 0.00 43.42 43.21 1irm n LEU 141 CO 0.28 -0.49 3.08 -1.20 0.00 0.00 0.00 177.39 179.06 1irm n SER 142 N -2.56 7.34 0.00 1.96 7.64 0.75 -3.58 113.62 125.18 1irm n SER 142 Ca -0.01 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.34 1irm n SER 142 Cb 0.04 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.79 1irm n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1irm n GLY 143 N 3.69 -1.65 0.00 0.23 0.00 -1.00 -4.57 105.19 101.88 1irm n GLY 143 Ca 0.68 0.57 0.00 0.00 0.00 0.00 0.00 46.02 47.27 1irm n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irm n GLY 144 N 0.00 0.00 0.31 -0.02 0.00 -1.23 -4.43 105.19 99.82 1irm n GLY 144 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1irm n GLY 144 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1irm h GLN 145 N 0.00 0.06 -0.12 1.61 3.07 -1.85 1.12 115.11 118.99 1irm h GLN 145 Ca 0.00 -0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.59 1irm h GLN 145 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.54 1irm h GLN 145 CO 0.00 0.04 -0.54 -0.39 0.09 0.00 0.00 178.83 178.03 1irm h VAL 146 N 0.06 1.35 -0.04 1.86 -1.51 -1.95 -3.24 116.25 112.77 1irm h VAL 146 Ca 0.50 -1.81 -0.00 0.00 -1.23 0.00 0.00 66.70 64.15 1irm h VAL 146 Cb 0.93 1.84 -0.00 0.00 -2.13 0.00 0.00 31.29 31.93 1irm h VAL 146 CO -0.81 0.55 0.02 -0.07 -1.23 0.00 0.00 177.57 176.03 1irm h LEU 147 N 0.28 0.05 -0.90 4.19 4.07 0.84 -1.54 115.31 122.30 1irm h LEU 147 Ca 0.01 -0.08 0.18 0.00 0.08 0.00 0.00 57.88 58.06 1irm h LEU 147 Cb 1.03 -0.01 -0.10 0.00 1.08 0.00 0.00 40.66 42.66 1irm h LEU 147 CO 0.09 0.12 0.48 0.50 -1.08 0.00 0.00 178.44 178.55 1irm h LYS 148 N -0.01 0.60 -0.19 1.13 3.64 -0.97 0.38 116.57 121.15 1irm h LYS 148 Ca 0.02 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 1irm h LYS 148 Cb 0.08 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1irm h LYS 148 CO -0.00 0.40 -0.52 0.87 -2.27 0.00 0.00 179.45 177.92 1irm h LYS 149 N 0.62 0.54 -0.03 1.90 1.57 -1.55 -2.22 116.57 117.39 1irm h LYS 149 Ca 0.52 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1irm h LYS 149 Cb 0.82 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1irm h LYS 149 CO -0.40 0.93 -0.18 0.82 -0.57 0.00 0.00 179.45 180.05 1irm h ILE 150 N 0.42 1.48 0.65 1.86 2.04 -0.11 -3.22 117.51 120.63 1irm h ILE 150 Ca 0.01 -1.68 -0.03 0.00 1.00 0.00 0.00 64.86 64.16 1irm h ILE 150 Cb 1.05 2.49 -0.00 0.00 -0.74 0.00 0.00 36.82 39.62 1irm h ILE 150 CO 0.10 0.46 -0.39 0.00 0.00 0.00 0.00 178.15 178.32 1irm h ALA 151 N 0.37 -1.00 -0.35 1.87 0.00 -0.31 -0.74 119.26 119.09 1irm h ALA 151 Ca -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1irm h ALA 151 Cb 0.84 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1irm h ALA 151 CO 0.04 -1.08 0.10 -0.56 0.00 0.00 0.00 179.25 177.75 1irm h GLN 152 N -0.98 0.50 0.05 0.00 -0.00 -1.56 -1.15 115.11 111.98 1irm h GLN 152 Ca -0.08 -0.07 -0.12 0.00 -0.00 0.00 0.00 58.65 58.38 1irm h GLN 152 Cb 0.79 -0.09 0.01 0.00 -0.00 0.00 0.00 27.48 28.19 1irm h GLN 152 CO 0.09 0.45 -0.49 0.87 -0.00 0.00 0.00 178.83 179.75 1irm h LYS 153 N 0.50 0.24 0.00 0.06 1.57 -1.56 1.99 116.57 119.37 1irm h LYS 153 Ca 0.12 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1irm h LYS 153 Cb 0.17 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1irm h LYS 153 CO -0.01 1.09 -0.01 0.00 -0.57 0.00 0.00 179.45 179.95 1irm h ALA 154 N 0.16 1.11 0.00 3.86 0.00 -0.97 -2.44 119.26 120.99 1irm h ALA 154 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1irm h ALA 154 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1irm h ALA 154 CO 0.09 0.02 0.00 -1.33 0.00 0.00 0.00 179.25 178.03 1irm n MET 155 N -3.26 -0.56 -3.58 0.00 2.81 -0.45 -5.06 117.12 107.02 1irm n MET 155 Ca -0.02 -0.38 -0.18 0.00 -1.81 0.00 0.00 57.70 55.30 1irm n MET 155 Cb 0.12 -0.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 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 -0.02 -2.71 -2.10 3.04 0.00 0.66 -5.00 120.51 114.39 1irm n ALA 156 Ca 0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 53.44 52.97 1irm n ALA 156 Cb 0.09 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -4.80 3.27 -0.02 0.00 2.01 -0.27 -4.99 118.68 113.89 1irm s LEU 157 Ca 0.03 0.71 -0.38 0.00 0.01 0.00 0.00 54.13 54.50 1irm s LEU 157 Cb -0.01 -3.55 -0.17 0.00 0.01 0.00 0.00 46.19 42.46 1irm s LEU 157 CO 0.85 -1.02 1.37 -2.65 1.01 0.00 0.00 176.35 175.92 1irm n PRO 158 N -2.54 0.89 0.29 1.29 -0.02 -1.26 -4.80 135.00 128.85 1irm n PRO 158 Ca 0.04 0.32 0.15 0.00 -2.02 0.00 0.00 63.50 61.99 1irm n PRO 158 Cb 0.57 -1.94 0.73 0.00 -0.02 0.00 0.00 33.50 32.84 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 4.75 0.00 0.39 2.55 4.64 -1.94 0.68 113.55 124.63 1irm h SER 159 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1irm h SER 159 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1irm h SER 159 CO 0.80 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.53 1irm h SER 160 N 0.00 0.00 -0.02 4.97 4.64 -2.04 -3.44 113.55 117.65 1irm h SER 160 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1irm h SER 160 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1irm h SER 160 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1irm n GLY 161 N -0.63 1.63 3.75 -0.77 0.00 0.23 -5.07 105.19 104.34 1irm n GLY 161 Ca 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1irm n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1irm s GLU 162 N -1.34 4.77 0.00 1.61 0.41 -0.97 -3.47 118.70 119.71 1irm s GLU 162 Ca 0.00 1.58 0.00 0.00 -0.41 0.00 0.00 54.97 56.14 1irm s GLU 162 Cb 0.00 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 29.13 1irm s GLU 162 CO 0.00 0.40 0.00 0.41 -0.49 0.00 0.00 175.26 175.58 1irm n GLY 163 N 1.33 2.89 0.55 -1.39 0.00 -1.26 -4.23 105.19 103.08 1irm n GLY 163 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 3.00 0.08 0.99 4.77 -1.23 -4.82 117.00 119.80 1irm n LEU 164 Ca 0.00 -3.44 -0.14 0.00 -0.03 0.00 0.00 56.01 52.40 1irm n LEU 164 Cb 0.00 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 1irm n LEU 164 CO 0.00 1.01 0.59 0.00 -1.33 0.00 0.00 177.39 177.65 1irm h ALA 165 N 0.75 -0.70 -0.63 -1.18 0.00 -1.85 -2.48 119.26 113.17 1irm h ALA 165 Ca 0.04 -0.06 0.25 0.00 0.00 0.00 0.00 54.91 55.14 1irm h ALA 165 Cb 1.18 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 19.61 1irm h ALA 165 CO 0.10 -0.97 0.37 0.34 0.00 0.00 0.00 179.25 179.09 1irm n PHE 166 N -5.46 0.57 -0.21 0.00 7.35 -1.26 0.80 117.46 119.26 1irm n PHE 166 Ca -0.06 0.58 -0.08 0.00 -0.76 0.00 0.00 57.45 57.12 1irm n PHE 166 Cb 0.37 -1.00 0.14 0.00 0.35 0.00 0.00 39.48 39.34 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 -4.12 1.58 -3.87 -5.13 3.72 -0.93 -4.84 117.46 103.86 1irm n PHE 167 Ca 0.22 -1.01 -0.19 0.00 -0.05 0.00 0.00 57.45 56.42 1irm n PHE 167 Cb 0.78 -0.55 -0.17 0.00 -0.94 0.00 0.00 39.48 38.60 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 -1.92 0.19 -0.66 4.37 2.01 0.24 -4.74 115.64 115.12 1irm s THR 168 Ca 0.32 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.49 1irm s THR 168 Cb 0.26 -0.31 0.35 0.00 0.01 0.00 0.00 72.50 72.81 1irm s THR 168 CO 0.07 0.17 1.21 0.49 -0.69 0.00 0.00 174.62 175.88 1irm n PHE 169 N 4.48 3.64 -0.26 4.92 3.01 -1.26 -4.90 117.46 127.09 1irm n PHE 169 Ca -0.20 -3.47 0.22 0.00 1.01 0.00 0.00 57.45 55.01 1irm n PHE 169 Cb 0.50 -0.60 0.41 0.00 -0.01 0.00 0.00 39.48 39.78 1irm n PHE 169 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1irm n PRO 170 N -0.27 -0.05 0.00 -1.08 -0.04 -1.26 0.30 135.00 132.60 1irm n PRO 170 Ca 0.37 1.11 0.00 0.00 -0.04 0.00 0.00 63.50 64.94 1irm n PRO 170 Cb 0.40 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 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 -4.86 0.57 -3.46 3.54 7.64 -1.26 -4.48 113.62 111.30 1irm n SER 171 Ca 0.27 -1.24 -0.05 0.00 1.01 0.00 0.00 58.87 58.87 1irm n SER 171 Cb 0.92 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 63.78 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 -1.08 -0.76 -0.16 0.44 1.01 0.88 -4.27 121.20 117.26 1irm s ILE 172 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.41 1irm s ILE 172 Cb 0.00 -0.83 -0.24 0.00 0.01 0.00 0.00 42.46 41.40 1irm s ILE 172 CO 0.00 -0.01 0.62 -0.78 0.00 0.00 0.00 174.94 174.76 1irm h ASP 173 N 8.11 0.00 -3.63 3.58 3.58 -1.78 -3.44 116.42 122.84 1irm h ASP 173 Ca -0.19 -0.87 -0.67 0.00 0.42 0.00 0.00 57.03 55.72 1irm h ASP 173 Cb 1.13 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.83 1irm h ASP 173 CO 0.19 1.13 -0.79 0.21 -2.88 0.00 0.00 179.24 177.10 1irm s ASN 174 N -6.39 4.20 0.39 2.28 3.84 -1.26 -5.02 114.94 112.99 1irm s ASN 174 Ca -0.22 -1.14 0.27 0.00 0.21 0.00 0.00 52.86 51.99 1irm s ASN 174 Cb -0.01 -1.57 0.93 0.00 -0.55 0.00 0.00 41.25 40.05 1irm s ASN 174 CO 0.66 -0.15 1.79 1.55 -2.79 0.00 0.00 177.10 178.17 1irm h PRO 175 N 7.87 0.00 0.00 0.43 0.13 -1.98 -3.18 132.00 135.28 1irm h PRO 175 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1irm h PRO 175 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1irm h PRO 175 CO 0.53 0.00 -0.46 0.25 -0.23 0.00 0.00 178.00 178.09 1irm n THR 176 N -2.74 0.02 1.04 1.56 -2.24 -1.26 -2.58 114.28 108.08 1irm n THR 176 Ca 0.03 -0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 1irm n THR 176 Cb 0.36 0.14 0.04 0.00 -2.10 0.00 0.00 70.33 68.78 1irm n THR 176 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1irm n LYS 177 N -1.54 0.76 -0.11 -0.78 5.02 -1.20 -3.95 118.16 116.36 1irm n LYS 177 Ca 0.05 -0.60 -0.24 0.00 -2.02 0.00 0.00 58.31 55.51 1irm n LYS 177 Cb 0.34 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.75 1irm n LYS 177 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1irm n PHE 178 N -0.60 0.38 -0.29 2.13 7.35 -1.20 -3.36 117.46 121.88 1irm n PHE 178 Ca 0.08 0.12 0.19 0.00 -0.76 0.00 0.00 57.45 57.08 1irm n PHE 178 Cb 0.41 -1.04 0.47 0.00 0.35 0.00 0.00 39.48 39.67 1irm n PHE 178 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1irm h LYS 179 N -0.58 0.46 -0.57 -4.13 3.64 -1.67 3.83 116.57 117.54 1irm h LYS 179 Ca -0.56 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 58.68 1irm h LYS 179 Cb 1.69 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.39 1irm h LYS 179 CO -0.22 0.31 -0.05 1.96 -2.27 0.00 0.00 179.45 179.17 1irm h GLN 180 N 0.47 1.05 -0.09 1.90 4.20 -1.72 1.00 115.11 121.92 1irm h GLN 180 Ca 0.52 -0.36 -0.24 0.00 0.06 0.00 0.00 58.65 58.64 1irm h GLN 180 Cb 1.21 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.92 1irm h GLN 180 CO -0.24 1.06 -0.87 1.25 -0.67 0.00 0.00 178.83 179.36 1irm h LEU 181 N 0.93 0.91 0.54 1.46 5.85 0.15 -1.69 115.31 123.46 1irm h LEU 181 Ca 0.16 -0.68 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 1irm h LEU 181 Cb 0.62 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.38 1irm h LEU 181 CO 0.04 1.45 -0.26 0.22 -0.34 0.00 0.00 178.44 179.55 1irm h TYR 182 N 0.45 -0.67 -0.52 1.25 -0.00 0.68 -2.73 116.97 115.43 1irm h TYR 182 Ca -0.08 -0.02 0.15 0.00 -0.00 0.00 0.00 58.73 58.78 1irm h TYR 182 Cb 1.51 0.22 -0.02 0.00 -0.00 0.00 0.00 36.73 38.44 1irm h TYR 182 CO 0.10 -0.37 0.42 0.00 -0.00 0.00 0.00 178.16 178.31 1irm h ARG 183 N -1.12 0.00 -0.00 1.82 2.47 0.94 -1.90 114.38 116.59 1irm h ARG 183 Ca -0.07 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.40 1irm h ARG 183 Cb 0.61 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.95 1irm h ARG 183 CO 0.12 0.00 -0.97 0.00 0.56 0.00 0.00 179.97 179.68 1irm h ALA 184 N 1.66 0.12 -0.03 0.04 0.00 -1.25 -2.97 119.26 116.84 1irm h ALA 184 Ca 0.25 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1irm h ALA 184 Cb 1.08 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1irm h ALA 184 CO -0.00 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.87 1irm h ARG 185 N 0.33 0.07 -0.90 0.00 3.08 -1.10 -2.82 114.38 113.03 1irm h ARG 185 Ca -0.12 -0.03 0.26 0.00 0.07 0.00 0.00 59.98 60.17 1irm h ARG 185 Cb 1.64 -0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.52 1irm h ARG 185 CO 0.19 0.44 0.08 -0.12 -1.07 0.00 0.00 179.97 179.49 1irm n MET 186 N -4.85 -0.07 0.23 0.04 1.56 -0.77 0.29 117.12 113.55 1irm n MET 186 Ca -0.08 1.33 0.14 0.00 -0.27 0.00 0.00 57.70 58.83 1irm n MET 186 Cb 0.22 -2.15 0.43 0.00 2.15 0.00 0.00 33.22 33.87 1irm n MET 186 CO 0.00 0.00 0.00 -0.91 -0.73 0.00 0.00 175.97 174.33 1irm h ASN 187 N 0.00 0.00 0.00 6.12 2.35 -1.33 -2.97 115.58 119.75 1irm h ASN 187 Ca 0.57 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.32 1irm h ASN 187 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1irm h ASN 187 CO -0.83 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 175.30 1irm n THR 188 N -2.96 0.00 -3.18 2.81 -2.24 0.84 -4.72 114.28 104.84 1irm n THR 188 Ca 0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1irm n THR 188 Cb 0.40 -0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 68.24 1irm n THR 188 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1irm s LEU 189 N -1.55 4.32 -0.24 3.22 2.96 -1.12 -5.04 118.68 121.23 1irm s LEU 189 Ca 0.24 0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.89 1irm s LEU 189 Cb 0.11 -2.67 0.01 0.00 0.50 0.00 0.00 46.19 44.13 1irm s LEU 189 CO 0.18 -0.54 1.09 -1.83 -1.32 0.00 0.00 176.35 173.94 1irm s GLU 190 N 2.54 4.20 -0.06 1.98 -1.05 -1.26 -5.04 118.70 120.00 1irm s GLU 190 Ca 0.21 1.35 -0.05 0.00 -0.15 0.00 0.00 54.97 56.33 1irm s GLU 190 Cb -0.15 -3.69 0.02 0.00 -0.44 0.00 0.00 34.13 29.87 1irm s GLU 190 CO 0.14 -0.71 0.17 0.00 0.95 0.00 0.00 175.26 175.80 1irm s MET 191 N 3.38 0.18 0.97 -4.83 0.23 -1.26 -5.06 119.30 112.91 1irm s MET 191 Ca 0.47 0.26 -0.11 0.00 -1.03 0.00 0.00 55.69 55.28 1irm s MET 191 Cb -0.16 0.05 0.17 0.00 -1.53 0.00 0.00 34.83 33.37 1irm s MET 191 CO 0.10 -0.05 1.10 0.95 -2.03 0.00 0.00 175.02 175.09 1irm s THR 192 N 0.28 2.27 0.50 3.16 -4.23 -1.26 -4.71 115.64 111.64 1irm s THR 192 Ca -0.02 0.09 0.15 0.00 -1.18 0.00 0.00 61.69 60.73 1irm s THR 192 Cb -0.03 -2.23 0.25 0.00 1.34 0.00 0.00 72.50 71.83 1irm s THR 192 CO -0.01 -0.11 2.11 -0.65 -0.54 0.00 0.00 174.62 175.42 1irm h PRO 193 N -1.96 0.02 0.21 3.99 0.11 -2.01 -1.66 132.00 130.69 1irm h PRO 193 Ca -0.49 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1irm h PRO 193 Cb 1.28 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1irm h PRO 193 CO 0.47 0.06 -0.34 1.49 -0.21 0.00 0.00 178.00 179.46 1irm h GLU 194 N 0.02 -0.60 -0.18 1.05 4.22 -2.01 -2.12 114.58 114.96 1irm h GLU 194 Ca 0.01 0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.46 1irm h GLU 194 Cb 0.07 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1irm h GLU 194 CO 0.00 -0.40 0.02 0.28 -2.18 0.00 0.00 179.01 176.73 1irm h VAL 195 N -0.63 1.24 -0.33 0.32 2.07 -1.84 -3.00 116.25 114.08 1irm h VAL 195 Ca 0.01 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1irm h VAL 195 Cb 0.62 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1irm h VAL 195 CO -0.15 0.24 -0.30 0.50 0.02 0.00 0.00 177.57 177.88 1irm h LYS 196 N 0.07 -0.13 -0.58 1.57 3.64 -1.13 0.16 116.57 120.18 1irm h LYS 196 Ca 0.05 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 1irm h LYS 196 Cb 0.34 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.08 1irm h LYS 196 CO 0.01 -0.08 -0.33 1.25 -2.27 0.00 0.00 179.45 178.02 1irm h HIS 197 N -0.13 -0.92 0.00 1.91 2.76 -1.44 1.49 115.15 118.83 1irm h HIS 197 Ca 0.06 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1irm h HIS 197 Cb 0.28 0.49 0.00 0.00 1.55 0.00 0.00 27.41 29.73 1irm h HIS 197 CO -0.79 -0.38 0.41 0.00 -1.30 0.00 0.00 177.93 175.87 1irm h ARG 198 N -0.16 0.00 0.00 5.26 3.08 -0.91 0.71 114.38 122.35 1irm h ARG 198 Ca 0.23 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.03 1irm h ARG 198 Cb 0.55 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 1irm h ARG 198 CO -0.67 0.00 -1.94 0.28 -1.07 0.00 0.00 179.97 176.57 1irm n VAL 199 N -2.78 0.94 -0.26 2.04 0.31 0.29 -3.11 118.33 115.76 1irm n VAL 199 Ca -0.02 -0.57 -0.06 0.00 -0.01 0.00 0.00 64.34 63.69 1irm n VAL 199 Cb 0.45 -0.67 0.05 0.00 -0.91 0.00 0.00 33.84 32.76 1irm n VAL 199 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1irm h THR 200 N 0.00 1.23 -0.25 2.52 2.02 0.43 0.23 112.91 119.10 1irm h THR 200 Ca -0.37 -0.62 -0.08 0.00 0.77 0.00 0.00 66.41 66.11 1irm h THR 200 Cb 1.82 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 1irm h THR 200 CO 0.02 0.26 -0.17 -0.33 0.37 0.00 0.00 175.52 175.67 1irm h GLU 201 N 0.98 0.43 -0.01 6.66 4.39 0.11 -2.16 114.58 124.99 1irm h GLU 201 Ca 0.24 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1irm h GLU 201 Cb 0.09 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1irm h GLU 201 CO -0.03 0.59 -0.10 -1.91 -1.16 0.00 0.00 179.01 176.40 1irm n GLU 202 N -4.18 1.15 0.10 2.33 4.07 -0.71 -2.14 120.64 121.25 1irm n GLU 202 Ca 0.00 -0.57 0.13 0.00 -0.06 0.00 0.00 57.16 56.66 1irm n GLU 202 Cb 0.34 -1.49 0.35 0.00 -0.06 0.00 0.00 31.44 30.58 1irm n GLU 202 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1irm h ALA 203 N 3.97 0.92 0.02 4.31 0.00 0.11 -2.96 119.26 125.64 1irm h ALA 203 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 1irm h ALA 203 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1irm h ALA 203 CO 0.00 0.00 -2.34 1.63 0.00 0.00 0.00 179.25 178.54 1irm n LYS 204 N -2.27 0.65 -0.36 0.00 4.76 -0.93 -3.84 118.16 116.17 1irm n LYS 204 Ca 0.05 0.22 0.08 0.00 -2.87 0.00 0.00 58.31 55.79 1irm n LYS 204 Cb 0.44 -1.56 0.25 0.00 -1.84 0.00 0.00 35.03 32.32 1irm n LYS 204 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1irm h THR 205 N -0.28 0.90 -0.77 -0.18 2.02 -1.50 0.48 112.91 113.58 1irm h THR 205 Ca -0.57 -0.33 0.15 0.00 0.77 0.00 0.00 66.41 66.43 1irm h THR 205 Cb 1.82 -0.15 -0.10 0.00 -1.74 0.00 0.00 68.15 67.98 1irm h THR 205 CO -0.14 0.18 0.32 0.00 0.37 0.00 0.00 175.52 176.24 1irm h ALA 206 N 1.55 1.10 -0.48 6.16 0.00 -1.68 0.22 119.26 126.13 1irm h ALA 206 Ca 0.50 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.48 1irm h ALA 206 Cb 0.53 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1irm h ALA 206 CO -0.27 -0.21 0.12 0.35 0.00 0.00 0.00 179.25 179.23 1irm h PHE 207 N 0.45 0.80 0.18 0.00 3.57 -0.31 -3.25 116.94 118.39 1irm h PHE 207 Ca 0.43 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.85 1irm h PHE 207 Cb 0.66 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1irm h PHE 207 CO -0.16 0.72 -0.42 1.25 -2.23 0.00 0.00 178.31 177.47 1irm h LEU 208 N 0.65 -1.23 -0.60 0.59 5.85 0.22 -3.14 115.31 117.65 1irm h LEU 208 Ca 0.15 0.13 0.07 0.00 0.84 0.00 0.00 57.88 59.07 1irm h LEU 208 Cb 0.33 0.45 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 1irm h LEU 208 CO 0.00 -0.51 0.28 -0.07 -0.34 0.00 0.00 178.44 177.80 1irm h LEU 209 N -0.70 0.36 0.00 2.25 3.38 -1.08 -0.46 115.31 119.05 1irm h LEU 209 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1irm h LEU 209 Cb 0.70 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1irm h LEU 209 CO -0.21 0.23 0.00 0.59 0.09 0.00 0.00 178.44 179.14 1irm n ASN 210 N -4.91 0.00 -0.08 -0.43 5.03 -1.19 -0.32 115.26 113.37 1irm n ASN 210 Ca 0.08 0.10 -0.07 0.00 0.87 0.00 0.00 54.58 55.56 1irm n ASN 210 Cb 0.21 -0.17 -0.03 0.00 -1.02 0.00 0.00 39.78 38.77 1irm n ASN 210 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1irm n ILE 211 N -1.17 1.44 0.17 2.41 2.08 -0.20 -2.56 119.36 121.53 1irm n ILE 211 Ca 0.02 0.18 0.17 0.00 0.56 0.00 0.00 62.75 63.68 1irm n ILE 211 Cb 0.02 -2.35 0.79 0.00 -0.75 0.00 0.00 39.64 37.35 1irm n ILE 211 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 1irm h GLU 212 N -1.00 0.00 0.22 0.38 -0.00 -1.13 0.57 114.58 113.62 1irm h GLU 212 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.31 1irm h GLU 212 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.42 1irm h GLU 212 CO -0.02 0.00 -0.10 1.25 -0.00 0.00 0.00 179.01 180.13 1irm h LEU 213 N 0.00 -0.25 -1.37 3.06 5.85 -0.81 -3.15 115.31 118.64 1irm h LEU 213 Ca 0.11 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1irm h LEU 213 Cb 0.58 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1irm h LEU 213 CO -0.00 -0.13 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.44 1irm h PHE 214 N -0.38 0.00 -0.01 1.25 0.04 -1.11 -2.55 116.94 114.18 1irm h PHE 214 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1irm h PHE 214 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1irm h PHE 214 CO 0.11 0.27 -0.05 0.39 -0.60 0.00 0.00 178.31 178.43 1irm n GLU 215 N -3.69 1.05 -0.08 1.51 1.02 0.19 -2.99 120.64 117.66 1irm n GLU 215 Ca -0.01 -0.37 -0.16 0.00 -0.02 0.00 0.00 57.16 56.59 1irm n GLU 215 Cb 0.38 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 1irm n GLU 215 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1irm n GLU 216 N -0.65 0.39 -0.27 3.49 2.13 -1.13 -4.07 120.64 120.53 1irm n GLU 216 Ca 0.18 0.17 0.09 0.00 0.66 0.00 0.00 57.16 58.26 1irm n GLU 216 Cb 0.25 -1.17 0.23 0.00 0.27 0.00 0.00 31.44 31.02 1irm n GLU 216 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1irm h LEU 217 N -0.69 0.09 -0.74 4.31 3.38 -1.58 0.60 115.31 120.68 1irm h LEU 217 Ca -0.34 0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 1irm h LEU 217 Cb 1.21 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1irm h LEU 217 CO -0.21 -0.04 -0.39 -0.61 0.09 0.00 0.00 178.44 177.28 1irm h GLN 218 N 0.30 0.50 -0.01 1.13 4.15 -1.79 -1.03 115.11 118.36 1irm h GLN 218 Ca 0.47 -0.25 -0.09 0.00 0.77 0.00 0.00 58.65 59.55 1irm h GLN 218 Cb 0.85 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 1irm h GLN 218 CO -0.54 0.81 -0.44 0.00 -1.93 0.00 0.00 178.83 176.74 1irm h ALA 219 N 1.16 1.25 0.00 3.38 0.00 -0.22 -0.77 119.26 124.06 1irm h ALA 219 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1irm h ALA 219 Cb 0.87 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1irm h ALA 219 CO 0.07 0.56 -0.20 1.28 0.00 0.00 0.00 179.25 180.96 1irm n LEU 220 N -4.01 0.45 0.00 0.00 4.77 0.15 -4.76 117.00 113.60 1irm n LEU 220 Ca -0.02 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1irm n LEU 220 Cb 0.47 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1irm n LEU 220 CO 0.40 -0.04 0.00 0.18 -1.33 0.00 0.00 177.39 176.60 1irm n LEU 221 N -1.83 0.00 0.00 2.23 4.77 -0.38 -5.07 117.00 116.72 1irm n LEU 221 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1irm n LEU 221 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1irm n LEU 221 CO 0.31 0.00 0.00 1.07 -1.33 0.00 0.00 177.39 177.44