#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iyk s PRO 9 N 0.00 0.31 0.43 1.96 0.02 -1.26 -4.91 135.00 131.56 2iyk s PRO 9 Ca 0.00 0.70 0.15 0.00 0.02 0.00 0.00 61.00 61.86 2iyk s PRO 9 Cb 0.00 -1.71 0.95 0.00 0.02 0.00 0.00 34.50 33.76 2iyk s PRO 9 CO 0.00 -2.85 1.95 0.97 -0.33 0.00 0.00 177.00 176.73 2iyk h ILE 10 N -1.99 1.13 -0.49 2.83 2.10 -2.02 -2.88 117.51 116.18 2iyk h ILE 10 Ca -0.55 -0.81 0.00 0.00 1.08 0.00 0.00 64.86 64.59 2iyk h ILE 10 Cb 1.32 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 38.49 2iyk h ILE 10 CO 0.55 0.23 0.00 0.00 -1.08 0.00 0.00 178.15 177.84 2iyk n HIS 11 N -4.21 1.27 -2.27 2.19 1.44 -1.26 -4.77 115.22 107.62 2iyk n HIS 11 Ca -0.02 -0.49 -0.41 0.00 -2.01 0.00 0.00 57.72 54.79 2iyk n HIS 11 Cb 0.29 -0.25 -0.03 0.00 0.12 0.00 0.00 29.99 30.12 2iyk n HIS 11 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2iyk s ALA 12 N -1.92 3.48 -0.03 1.59 0.00 -1.09 -4.77 121.76 119.02 2iyk s ALA 12 Ca 0.40 1.08 -0.37 0.00 0.00 0.00 0.00 51.96 53.07 2iyk s ALA 12 Cb 0.27 -3.43 -0.16 0.00 0.00 0.00 0.00 23.12 19.80 2iyk s ALA 12 CO 0.18 -0.45 1.53 0.00 0.00 0.00 0.00 175.76 177.02 2iyk n SER 14 N 3.81 0.00 -0.12 0.00 7.64 0.12 -1.28 113.62 123.79 2iyk n SER 14 Ca 0.21 0.25 -0.25 0.00 1.01 0.00 0.00 58.87 60.09 2iyk n SER 14 Cb 0.19 -0.36 -0.09 0.00 -1.01 0.00 0.00 64.21 62.94 2iyk n SER 14 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2iyk n TYR 15 N -1.36 0.25 -0.01 1.43 0.53 -1.26 -4.88 117.16 111.86 2iyk n TYR 15 Ca 0.05 0.11 -0.00 0.00 -1.02 0.00 0.00 57.90 57.03 2iyk n TYR 15 Cb 0.10 -0.95 -0.04 0.00 -1.03 0.00 0.00 39.34 37.43 2iyk n TYR 15 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2iyk n GLY 17 N 2.51 0.77 3.74 0.00 0.00 -0.41 -1.10 105.19 110.70 2iyk n GLY 17 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2iyk n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2iyk s ILE 18 N -2.07 2.15 -0.06 -0.61 1.01 -1.26 -4.47 121.20 115.88 2iyk s ILE 18 Ca 0.00 0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.85 2iyk s ILE 18 Cb 0.00 -3.07 0.13 0.00 0.01 0.00 0.00 42.46 39.53 2iyk s ILE 18 CO 0.00 0.01 1.03 0.00 0.00 0.00 0.00 174.94 175.99 2iyk n HIS 19 N 2.89 0.00 -1.80 3.97 1.44 -1.26 -0.30 115.22 120.15 2iyk n HIS 19 Ca 0.11 -0.51 -0.42 0.00 -2.01 0.00 0.00 57.72 54.88 2iyk n HIS 19 Cb 0.37 -0.09 -0.03 0.00 0.12 0.00 0.00 29.99 30.36 2iyk n HIS 19 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2iyk s ASP 20 N -1.80 6.26 0.54 4.39 -1.08 -1.26 -4.85 116.67 118.87 2iyk s ASP 20 Ca 0.15 2.24 0.28 0.00 -0.52 0.00 0.00 52.55 54.70 2iyk s ASP 20 Cb 0.13 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 40.51 2iyk s ASP 20 CO 0.01 -1.26 1.95 -0.65 0.52 0.00 0.00 175.17 175.74 2iyk h PRO 21 N 11.39 0.00 0.00 4.34 0.11 -1.94 0.15 132.00 146.06 2iyk h PRO 21 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2iyk h PRO 21 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2iyk h PRO 21 CO 0.96 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 2iyk h ALA 22 N 1.63 1.00 0.00 -0.75 0.00 -1.89 -3.34 119.26 115.91 2iyk h ALA 22 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2iyk h ALA 22 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2iyk h ALA 22 CO -0.00 0.00 -1.35 0.00 0.00 0.00 0.00 179.25 177.89 2iyk s VAL 24 N -2.95 5.05 -0.03 0.00 -7.23 -1.19 -0.14 120.40 113.91 2iyk s VAL 24 Ca -0.01 -0.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 2iyk s VAL 24 Cb 0.12 -3.63 0.01 0.00 0.56 0.00 0.00 36.38 33.44 2iyk s VAL 24 CO 0.72 -0.15 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.62 2iyk s VAL 25 N -1.81 0.49 -0.12 1.32 1.01 0.16 -4.45 120.40 117.00 2iyk s VAL 25 Ca 0.33 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 2iyk s VAL 25 Cb -0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2iyk s VAL 25 CO 0.27 0.18 0.43 -0.47 0.00 0.00 0.00 175.10 175.52 2iyk s TYR 26 N 0.46 3.52 -0.42 5.22 5.04 -0.40 -1.08 117.35 129.69 2iyk s TYR 26 Ca -0.06 0.84 -0.18 0.00 -2.44 0.00 0.00 57.07 55.23 2iyk s TYR 26 Cb -0.09 -2.49 0.02 0.00 0.35 0.00 0.00 41.96 39.75 2iyk s TYR 26 CO -0.00 0.22 0.48 0.00 -1.34 0.00 0.00 175.55 174.92 2iyk h ASN 28 N 8.73 0.75 0.10 0.00 2.35 -1.69 0.49 115.58 126.32 2iyk h ASN 28 Ca -0.26 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 2iyk h ASN 28 Cb 1.11 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2iyk h ASN 28 CO 0.81 0.33 -0.05 0.74 -1.65 0.00 0.00 177.43 177.61 2iyk h THR 29 N 0.79 1.09 -0.02 2.81 2.02 -1.94 -3.34 112.91 114.33 2iyk h THR 29 Ca 0.51 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 66.45 2iyk h THR 29 Cb 0.68 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2iyk h THR 29 CO -0.34 0.28 -0.19 -1.54 0.37 0.00 0.00 175.52 174.10 2iyk n SER 30 N -4.88 1.73 -3.45 4.18 3.41 -1.16 -4.97 113.62 108.48 2iyk n SER 30 Ca -0.08 -1.39 -0.22 0.00 -0.26 0.00 0.00 58.87 56.91 2iyk n SER 30 Cb 0.28 0.15 0.08 0.00 -0.26 0.00 0.00 64.21 64.46 2iyk n SER 30 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2iyk n LYS 31 N 0.07 -7.52 -4.16 4.33 5.02 0.16 -5.01 118.16 111.04 2iyk n LYS 31 Ca 0.14 0.80 -0.12 0.00 -2.02 0.00 0.00 58.31 57.10 2iyk n LYS 31 Cb 0.42 -5.75 -0.10 0.00 -0.02 0.00 0.00 35.03 29.58 2iyk n LYS 31 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2iyk s LYS 32 N -6.15 0.81 0.02 1.97 1.02 -1.23 -4.93 119.74 111.24 2iyk s LYS 32 Ca 0.50 -1.20 -0.02 0.00 0.02 0.00 0.00 55.97 55.27 2iyk s LYS 32 Cb -0.22 -0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 36.70 2iyk s LYS 32 CO 0.70 0.03 0.19 -1.58 -0.92 0.00 0.00 175.35 173.77 2iyk s TRP 33 N -2.91 3.54 -0.09 3.18 0.52 -1.26 -0.38 118.94 121.54 2iyk s TRP 33 Ca 0.07 0.32 -0.08 0.00 0.02 0.00 0.00 56.10 56.43 2iyk s TRP 33 Cb 0.00 -1.81 0.02 0.00 -1.15 0.00 0.00 33.47 30.54 2iyk s TRP 33 CO -0.02 0.63 0.23 -0.06 0.02 0.00 0.00 176.95 177.74 2iyk s PHE 34 N -1.39 -0.25 0.68 -1.98 0.40 -0.24 0.16 117.98 115.35 2iyk s PHE 34 Ca 0.30 0.62 -0.06 0.00 -0.60 0.00 0.00 56.93 57.19 2iyk s PHE 34 Cb -0.13 0.09 0.05 0.00 0.51 0.00 0.00 43.02 43.54 2iyk s PHE 34 CO 0.22 -0.12 0.99 0.00 0.70 0.00 0.00 175.22 177.01 2iyk n ASN 36 N -2.85 4.12 -4.90 0.00 4.05 0.80 -2.38 115.26 114.10 2iyk n ASN 36 Ca 0.07 -3.34 -0.24 0.00 0.45 0.00 0.00 54.58 51.53 2iyk n ASN 36 Cb 0.60 -0.78 -0.03 0.00 1.23 0.00 0.00 39.78 40.79 2iyk n ASN 36 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 2iyk s GLY 37 N -1.03 1.51 -0.01 8.20 0.00 -1.26 -4.59 107.32 110.14 2iyk s GLY 37 Ca 0.52 -1.20 0.20 0.00 0.00 0.00 0.00 44.72 44.24 2iyk s GLY 37 CO 0.11 -1.21 0.74 -0.96 0.00 0.00 0.00 173.10 171.78 2iyk n ARG 38 N -0.86 0.51 0.00 2.90 1.85 -1.26 -1.37 116.66 118.42 2iyk n ARG 38 Ca -0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 2iyk n ARG 38 Cb 0.56 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.52 2iyk n ARG 38 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2iyk n GLY 39 N 1.43 2.99 0.63 2.89 0.00 -1.26 -0.56 105.19 111.31 2iyk n GLY 39 Ca 0.02 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.20 2iyk n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2iyk n ASN 40 N 3.36 1.84 -4.74 1.61 3.02 -1.26 -4.93 115.26 114.17 2iyk n ASN 40 Ca 0.00 -1.86 -0.24 0.00 -0.03 0.00 0.00 54.58 52.45 2iyk n ASN 40 Cb 0.00 -0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 38.92 2iyk n ASN 40 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2iyk s THR 41 N -1.64 2.70 -0.54 3.41 -4.23 0.28 -4.67 115.64 110.95 2iyk s THR 41 Ca 0.28 -1.69 0.24 0.00 -1.18 0.00 0.00 61.69 59.33 2iyk s THR 41 Cb 0.15 -2.97 0.01 0.00 1.34 0.00 0.00 72.50 71.04 2iyk s THR 41 CO 0.21 -0.10 1.21 0.77 -0.54 0.00 0.00 174.62 176.17 2iyk h SER 42 N 1.49 0.00 -1.76 3.99 4.64 -1.92 -3.46 113.55 116.53 2iyk h SER 42 Ca -0.43 -0.19 -0.60 0.00 -0.47 0.00 0.00 61.79 60.10 2iyk h SER 42 Cb 1.25 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.23 2iyk h SER 42 CO 0.65 0.09 -0.60 -0.83 -0.87 0.00 0.00 176.83 175.28 2iyk s GLY 43 N -3.83 2.31 0.80 -0.77 0.00 -1.26 -4.96 107.32 99.61 2iyk s GLY 43 Ca 0.04 -2.14 -0.11 0.00 0.00 0.00 0.00 44.72 42.51 2iyk s GLY 43 CO 0.75 -2.00 1.09 -1.35 0.00 0.00 0.00 173.10 171.59 2iyk s SER 44 N -3.74 4.44 0.02 1.64 1.04 -0.72 -4.43 113.70 111.95 2iyk s SER 44 Ca 0.36 1.46 -0.24 0.00 0.48 0.00 0.00 55.95 58.00 2iyk s SER 44 Cb 0.05 -2.20 -0.18 0.00 0.10 0.00 0.00 66.02 63.79 2iyk s SER 44 CO 0.19 -2.03 1.40 0.45 0.98 0.00 0.00 173.24 174.24 2iyk h HIS 45 N -1.12 0.07 -0.60 5.02 3.86 -1.15 0.48 115.15 121.71 2iyk h HIS 45 Ca -0.47 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 58.79 2iyk h HIS 45 Cb 1.26 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 29.65 2iyk h HIS 45 CO 0.50 0.41 0.30 0.82 0.86 0.00 0.00 177.93 180.81 2iyk h ILE 46 N -0.29 0.91 -0.68 2.45 5.03 -1.71 -0.21 117.51 123.02 2iyk h ILE 46 Ca 0.01 -0.19 -0.02 0.00 -0.12 0.00 0.00 64.86 64.53 2iyk h ILE 46 Cb 0.38 0.31 -0.03 0.00 -3.03 0.00 0.00 36.82 34.45 2iyk h ILE 46 CO 0.00 0.10 0.33 0.58 -0.68 0.00 0.00 178.15 178.49 2iyk h VAL 47 N 0.55 1.23 -0.01 1.67 2.07 -1.79 0.77 116.25 120.74 2iyk h VAL 47 Ca 0.28 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.19 2iyk h VAL 47 Cb 0.22 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2iyk h VAL 47 CO -0.21 0.26 -0.15 0.78 0.02 0.00 0.00 177.57 178.28 2iyk h ASN 48 N 0.95 -0.44 0.23 0.57 2.35 -0.37 -0.89 115.58 117.98 2iyk h ASN 48 Ca 0.24 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 56.06 2iyk h ASN 48 Cb 0.11 0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 2iyk h ASN 48 CO -0.03 -0.21 -0.29 -0.74 -1.65 0.00 0.00 177.43 174.51 2iyk h HIS 49 N -0.24 -0.78 -0.79 1.19 2.76 -0.13 0.17 115.15 117.33 2iyk h HIS 49 Ca 0.05 0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.39 2iyk h HIS 49 Cb 0.31 0.31 -0.05 0.00 1.55 0.00 0.00 27.41 29.53 2iyk h HIS 49 CO -0.21 -0.41 0.52 -0.07 -1.30 0.00 0.00 177.93 176.47 2iyk h LEU 50 N -0.57 0.43 0.03 0.26 3.38 0.73 0.96 115.31 120.53 2iyk h LEU 50 Ca 0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2iyk h LEU 50 Cb 0.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2iyk h LEU 50 CO -0.10 0.22 -0.01 0.58 0.09 0.00 0.00 178.44 179.21 2iyk h VAL 51 N 0.45 1.39 0.05 1.22 2.07 -0.71 0.72 116.25 121.44 2iyk h VAL 51 Ca 0.39 -1.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 2iyk h VAL 51 Cb 0.86 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 2iyk h VAL 51 CO -0.14 0.43 -0.02 0.03 0.02 0.00 0.00 177.57 177.89 2iyk h ARG 52 N -0.88 -0.06 0.00 1.57 2.47 -0.57 -2.89 114.38 114.02 2iyk h ARG 52 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2iyk h ARG 52 Cb 0.73 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.06 2iyk h ARG 52 CO 0.01 0.13 0.00 0.00 0.56 0.00 0.00 179.97 180.66 2iyk n ALA 53 N -2.21 2.06 -3.02 0.04 0.00 0.30 -4.93 120.51 112.74 2iyk n ALA 53 Ca -0.08 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 2iyk n ALA 53 Cb 0.13 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.27 2iyk n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2iyk n LYS 54 N -1.49 -4.65 -4.30 0.00 5.02 -1.09 -5.04 118.16 106.62 2iyk n LYS 54 Ca 0.06 0.62 -0.24 0.00 -2.02 0.00 0.00 58.31 56.73 2iyk n LYS 54 Cb 0.27 -4.93 -0.08 0.00 -0.02 0.00 0.00 35.03 30.27 2iyk n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2iyk n LYS 56 N -0.92 2.10 -4.54 0.00 4.01 -1.26 -4.63 118.16 112.91 2iyk n LYS 56 Ca -0.05 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.41 2iyk n LYS 56 Cb 0.60 -0.54 -0.11 0.00 -0.51 0.00 0.00 35.03 34.48 2iyk n LYS 56 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2iyk s GLU 57 N -0.75 3.00 0.18 1.97 2.02 -1.26 -1.25 118.70 122.61 2iyk s GLU 57 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.47 2iyk s GLU 57 Cb 0.00 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 2iyk s GLU 57 CO 0.00 0.57 0.06 0.14 0.02 0.00 0.00 175.26 176.05 2iyk s VAL 58 N -0.53 0.34 -0.00 2.63 -7.23 -1.26 -1.85 120.40 112.49 2iyk s VAL 58 Ca 0.08 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.31 2iyk s VAL 58 Cb -0.12 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 2iyk s VAL 58 CO 0.02 -0.30 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.56 2iyk s THR 59 N -3.90 0.45 0.34 5.32 2.01 -0.23 -3.01 115.64 116.63 2iyk s THR 59 Ca 0.29 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 2iyk s THR 59 Cb 0.07 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 2iyk s THR 59 CO 0.06 0.09 0.58 -0.76 -0.69 0.00 0.00 174.62 173.90 2iyk s LEU 60 N -0.24 3.98 0.50 4.42 1.43 0.33 -1.27 118.68 127.83 2iyk s LEU 60 Ca 0.01 0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 53.50 2iyk s LEU 60 Cb -0.03 -3.45 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 2iyk s LEU 60 CO -0.00 -0.29 1.11 -2.28 0.23 0.00 0.00 176.35 175.11 2iyk s HIS 61 N -2.28 2.85 0.30 0.29 5.65 -1.26 -3.62 115.29 117.21 2iyk s HIS 61 Ca 0.42 1.56 0.05 0.00 0.25 0.00 0.00 55.06 57.34 2iyk s HIS 61 Cb -0.10 -3.24 0.72 0.00 -1.18 0.00 0.00 32.58 28.78 2iyk s HIS 61 CO 0.35 -1.29 1.76 -0.22 -0.65 0.00 0.00 174.74 174.69 2iyk h LYS 62 N 1.60 0.65 -0.01 2.88 3.64 -1.91 -2.25 116.57 121.16 2iyk h LYS 62 Ca -0.50 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2iyk h LYS 62 Cb 1.24 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2iyk h LYS 62 CO 0.59 0.43 -0.18 -0.25 -2.27 0.00 0.00 179.45 177.76 2iyk n ASP 63 N -4.84 1.32 -3.34 4.20 10.43 -1.26 -4.08 116.55 118.97 2iyk n ASP 63 Ca 0.22 -1.17 -0.23 0.00 2.57 0.00 0.00 54.79 56.18 2iyk n ASP 63 Cb 0.58 0.11 0.19 0.00 1.84 0.00 0.00 41.12 43.84 2iyk n ASP 63 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2iyk n GLY 64 N 1.29 -2.62 0.23 0.44 0.00 -0.85 -4.70 105.19 98.98 2iyk n GLY 64 Ca 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2iyk n GLY 64 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2iyk h PRO 65 N 0.00 0.21 -0.67 1.61 0.11 -1.86 -3.08 132.00 128.31 2iyk h PRO 65 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2iyk h PRO 65 Cb 0.98 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2iyk h PRO 65 CO 0.21 0.14 0.00 1.28 -0.21 0.00 0.00 178.00 179.42 2iyk n LEU 66 N -5.16 3.93 0.00 2.35 4.77 -1.26 -5.08 117.00 116.55 2iyk n LEU 66 Ca 0.09 -2.06 0.03 0.00 -0.03 0.00 0.00 56.01 54.03 2iyk n LEU 66 Cb 0.32 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2iyk n LEU 66 CO 0.16 0.93 -0.04 0.61 -1.33 0.00 0.00 177.39 177.72 2iyk n GLY 67 N 1.42 -1.38 3.56 -0.72 0.00 -1.17 -4.43 105.19 102.48 2iyk n GLY 67 Ca 0.23 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 2iyk n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2iyk s GLU 68 N -0.38 2.94 -0.10 1.61 2.12 -1.19 -4.30 118.70 119.41 2iyk s GLU 68 Ca 0.00 -0.65 0.02 0.00 0.36 0.00 0.00 54.97 54.71 2iyk s GLU 68 Cb 0.00 -5.18 -0.01 0.00 0.26 0.00 0.00 34.13 29.20 2iyk s GLU 68 CO 0.00 -2.97 -0.18 0.99 -0.54 0.00 0.00 175.26 172.56 2iyk s THR 69 N 8.22 2.62 -0.22 -1.70 2.01 -1.24 -4.92 115.64 120.41 2iyk s THR 69 Ca 0.61 -0.83 -0.25 0.00 0.31 0.00 0.00 61.69 61.54 2iyk s THR 69 Cb -0.04 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 2iyk s THR 69 CO -0.03 0.55 0.82 -0.69 -0.69 0.00 0.00 174.62 174.58 2iyk s VAL 70 N 0.15 4.85 -0.16 3.82 1.01 -1.26 -0.52 120.40 128.29 2iyk s VAL 70 Ca -0.10 1.57 -0.29 0.00 0.00 0.00 0.00 61.98 63.16 2iyk s VAL 70 Cb -0.16 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2iyk s VAL 70 CO 0.06 -0.05 1.48 -0.76 0.00 0.00 0.00 175.10 175.83 2iyk s LEU 71 N 2.66 4.11 0.11 3.92 1.43 -1.16 -4.97 118.68 124.77 2iyk s LEU 71 Ca 0.35 1.78 -0.17 0.00 -1.03 0.00 0.00 54.13 55.07 2iyk s LEU 71 Cb -0.16 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.57 2iyk s LEU 71 CO 0.08 -0.98 0.41 -1.83 0.23 0.00 0.00 176.35 174.27 2iyk s GLU 72 N 4.04 1.04 -0.02 1.70 -1.05 -1.26 -4.64 118.70 118.52 2iyk s GLU 72 Ca 0.65 -0.63 -0.30 0.00 -0.15 0.00 0.00 54.97 54.53 2iyk s GLU 72 Cb -0.25 0.46 -0.05 0.00 -0.44 0.00 0.00 34.13 33.85 2iyk s GLU 72 CO 0.24 -0.40 1.33 0.00 0.95 0.00 0.00 175.26 177.38 2iyk h TYR 74 N 7.68 0.62 0.18 0.00 3.20 -1.48 0.70 116.97 127.87 2iyk h TYR 74 Ca -0.37 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.51 2iyk h TYR 74 Cb 1.17 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.25 2iyk h TYR 74 CO 0.74 0.25 -0.09 -0.97 -1.64 0.00 0.00 178.16 176.45 2iyk h ASN 75 N 0.54 -0.21 -0.00 -2.11 -1.24 -1.91 -3.42 115.58 107.23 2iyk h ASN 75 Ca 0.38 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.23 2iyk h ASN 75 Cb 0.73 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.83 2iyk h ASN 75 CO -0.14 0.32 -0.00 0.00 -1.29 0.00 0.00 177.43 176.32 2iyk n GLY 77 N 0.24 0.56 3.76 0.00 0.00 0.23 -4.96 105.19 105.02 2iyk n GLY 77 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2iyk n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iyk n ARG 79 N 1.79 0.61 -1.77 0.00 1.74 -1.26 -0.57 116.66 117.20 2iyk n ARG 79 Ca 0.06 -1.16 -0.43 0.00 -0.77 0.00 0.00 57.85 55.55 2iyk n ARG 79 Cb 0.38 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 2iyk n ARG 79 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2iyk s ASN 80 N -0.79 5.60 0.43 0.55 3.84 -1.26 -4.26 114.94 119.05 2iyk s ASN 80 Ca 0.12 1.62 0.30 0.00 0.21 0.00 0.00 52.86 55.11 2iyk s ASN 80 Cb 0.08 -2.52 1.29 0.00 -0.55 0.00 0.00 41.25 39.56 2iyk s ASN 80 CO 0.12 -1.89 1.89 0.58 -2.79 0.00 0.00 177.10 175.01 2iyk h VAL 81 N 7.03 0.00 0.00 -5.21 2.07 -1.53 -2.39 116.25 116.22 2iyk h VAL 81 Ca -0.38 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2iyk h VAL 81 Cb 1.21 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2iyk h VAL 81 CO 0.99 0.00 0.00 0.49 0.02 0.00 0.00 177.57 179.07 2iyk n PHE 82 N -2.69 0.41 -0.04 1.57 3.01 -1.26 -3.47 117.46 114.99 2iyk n PHE 82 Ca 0.01 0.12 -0.00 0.00 1.01 0.00 0.00 57.45 58.59 2iyk n PHE 82 Cb 0.24 -0.70 -0.10 0.00 -0.01 0.00 0.00 39.48 38.91 2iyk n PHE 82 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2iyk n LEU 83 N -1.84 0.00 -4.78 4.37 7.94 -0.92 -4.99 117.00 116.78 2iyk n LEU 83 Ca 0.06 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.60 2iyk n LEU 83 Cb 0.37 0.16 -0.03 0.00 0.53 0.00 0.00 43.42 44.44 2iyk n LEU 83 CO 0.28 0.16 0.75 -0.76 -1.11 0.00 0.00 177.39 176.71 2iyk s LEU 84 N -4.44 4.12 0.29 -1.96 1.43 -1.08 -1.72 118.68 115.32 2iyk s LEU 84 Ca -0.05 2.09 -0.07 0.00 -1.03 0.00 0.00 54.13 55.07 2iyk s LEU 84 Cb 0.06 -4.19 -0.00 0.00 0.03 0.00 0.00 46.19 42.09 2iyk s LEU 84 CO 0.53 -0.57 0.45 -0.83 0.23 0.00 0.00 176.35 176.16 2iyk s GLY 85 N -1.52 1.09 0.13 -3.19 0.00 -0.70 -1.55 107.32 101.58 2iyk s GLY 85 Ca 0.59 -1.27 0.10 0.00 0.00 0.00 0.00 44.72 44.14 2iyk s GLY 85 CO 0.29 -0.88 -0.22 -0.11 0.00 0.00 0.00 173.10 172.18 2iyk s PHE 86 N -3.50 2.42 -0.12 1.90 -0.12 0.20 -0.80 117.98 117.96 2iyk s PHE 86 Ca 0.28 -0.32 0.00 0.00 -0.05 0.00 0.00 56.93 56.84 2iyk s PHE 86 Cb 0.00 -1.28 0.02 0.00 -0.63 0.00 0.00 43.02 41.13 2iyk s PHE 86 CO 0.15 0.38 -0.12 0.42 -0.05 0.00 0.00 175.22 175.99 2iyk s ILE 87 N -1.16 1.34 0.42 -4.49 1.01 0.37 -2.40 121.20 116.30 2iyk s ILE 87 Ca 0.16 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 60.08 2iyk s ILE 87 Cb -0.10 -1.28 -0.09 0.00 0.01 0.00 0.00 42.46 41.00 2iyk s ILE 87 CO 0.08 0.42 1.03 -2.16 0.00 0.00 0.00 174.94 174.31 2iyk s PRO 88 N 1.40 4.10 0.75 2.79 0.04 -1.26 -1.93 135.00 140.89 2iyk s PRO 88 Ca 0.01 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 2iyk s PRO 88 Cb -0.13 -2.38 0.04 0.00 0.04 0.00 0.00 34.50 32.07 2iyk s PRO 88 CO -0.07 -0.18 1.12 0.00 0.04 0.00 0.00 177.00 177.91 2iyk s ALA 89 N -1.81 2.70 -0.09 8.56 0.00 -0.83 -4.73 121.76 125.56 2iyk s ALA 89 Ca 0.61 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 2iyk s ALA 89 Cb -0.18 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2iyk s ALA 89 CO 0.23 -1.40 1.13 0.15 0.00 0.00 0.00 175.76 175.86 2iyk s LYS 90 N -5.39 4.37 -1.34 0.00 1.02 -0.66 -4.03 119.74 113.70 2iyk s LYS 90 Ca 0.60 1.55 -0.18 0.00 0.02 0.00 0.00 55.97 57.96 2iyk s LYS 90 Cb -0.12 -3.57 0.02 0.00 -0.52 0.00 0.00 37.83 33.65 2iyk s LYS 90 CO 0.51 -0.42 0.43 0.00 -0.92 0.00 0.00 175.35 174.95 2iyk n ALA 91 N 5.27 -2.34 -3.49 5.17 0.00 -1.26 -4.97 120.51 118.89 2iyk n ALA 91 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2iyk n ALA 91 Cb 0.47 -2.01 -0.05 0.00 0.00 0.00 0.00 19.45 17.86 2iyk n ALA 91 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2iyk s ASP 92 N -3.90 -0.64 -0.39 0.00 2.15 -1.26 -5.07 116.67 107.57 2iyk s ASP 92 Ca 0.28 0.90 -0.07 0.00 0.43 0.00 0.00 52.55 54.09 2iyk s ASP 92 Cb -0.14 1.63 -0.23 0.00 -0.30 0.00 0.00 42.92 43.88 2iyk s ASP 92 CO 0.96 -0.13 3.45 -1.54 -0.17 0.00 0.00 175.17 177.75 2iyk n SER 93 N 4.75 6.05 -3.95 -0.34 3.41 -1.26 -3.95 113.62 118.32 2iyk n SER 93 Ca -0.12 -2.50 -0.24 0.00 -0.26 0.00 0.00 58.87 55.76 2iyk n SER 93 Cb 0.53 -1.44 -0.17 0.00 -0.26 0.00 0.00 64.21 62.87 2iyk n SER 93 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2iyk s VAL 94 N 1.29 0.96 0.01 -3.33 1.01 -1.26 -5.06 120.40 114.02 2iyk s VAL 94 Ca 0.67 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.34 2iyk s VAL 94 Cb 0.28 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 2iyk s VAL 94 CO -0.01 0.33 0.02 -0.69 0.00 0.00 0.00 175.10 174.75 2iyk s VAL 95 N 1.07 4.29 0.02 2.92 1.01 -1.26 -1.96 120.40 126.48 2iyk s VAL 95 Ca -0.07 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.35 2iyk s VAL 95 Cb -0.14 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 2iyk s VAL 95 CO -0.01 0.32 -0.18 0.54 0.00 0.00 0.00 175.10 175.78 2iyk s VAL 96 N -1.16 1.41 -0.19 2.92 0.11 -0.81 -4.98 120.40 117.70 2iyk s VAL 96 Ca 0.22 -0.95 -0.07 0.00 -2.93 0.00 0.00 61.98 58.24 2iyk s VAL 96 Cb -0.12 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.48 2iyk s VAL 96 CO 0.13 0.24 0.06 -0.76 -3.33 0.00 0.00 175.10 171.44 2iyk s LEU 97 N -0.83 3.74 0.02 2.54 1.43 -1.26 -0.48 118.68 123.84 2iyk s LEU 97 Ca 0.06 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2iyk s LEU 97 Cb -0.08 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 2iyk s LEU 97 CO 0.01 0.14 0.02 -0.76 0.23 0.00 0.00 176.35 175.99 2iyk s LEU 98 N 0.56 2.06 0.33 1.79 1.43 0.02 -1.13 118.68 123.75 2iyk s LEU 98 Ca 0.03 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 2iyk s LEU 98 Cb -0.13 0.28 -0.11 0.00 0.03 0.00 0.00 46.19 46.25 2iyk s LEU 98 CO 0.01 -0.35 1.54 0.00 0.23 0.00 0.00 176.35 177.79 2iyk h ARG 100 N 3.94 0.39 -3.55 0.00 2.43 -1.68 -0.62 114.38 115.29 2iyk h ARG 100 Ca -0.49 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.43 2iyk h ARG 100 Cb 1.23 -0.09 -0.29 0.00 -0.42 0.00 0.00 29.97 30.41 2iyk h ARG 100 CO 0.72 0.25 -0.65 -0.65 -1.51 0.00 0.00 179.97 178.13 2iyk s GLN 101 N -6.01 0.06 0.00 0.20 -1.52 -1.26 -3.79 119.66 107.34 2iyk s GLN 101 Ca -0.12 0.12 0.26 0.00 -1.95 0.00 0.00 55.36 53.67 2iyk s GLN 101 Cb 0.21 -0.02 0.67 0.00 -0.22 0.00 0.00 33.01 33.65 2iyk s GLN 101 CO 0.76 -0.04 1.53 -0.35 -0.25 0.00 0.00 175.29 176.94 2iyk n PRO 102 N 3.29 1.86 0.16 2.91 -0.04 -1.26 -4.91 135.00 137.00 2iyk n PRO 102 Ca -0.15 -1.31 0.01 0.00 -0.04 0.00 0.00 63.50 62.01 2iyk n PRO 102 Cb 0.58 -1.47 0.24 0.00 -0.04 0.00 0.00 33.50 32.80 2iyk n PRO 102 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2iyk n ALA 104 N -2.41 4.41 -1.95 0.00 0.00 -0.24 -4.64 120.51 115.68 2iyk n ALA 104 Ca -0.01 -2.37 -0.37 0.00 0.00 0.00 0.00 53.44 50.69 2iyk n ALA 104 Cb 0.55 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 2iyk n ALA 104 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2iyk s SER 105 N -1.19 7.22 0.62 0.00 0.15 -1.10 -4.78 113.70 114.63 2iyk s SER 105 Ca 0.54 1.62 0.32 0.00 0.70 0.00 0.00 55.95 59.13 2iyk s SER 105 Cb 0.43 -2.50 1.76 0.00 -1.71 0.00 0.00 66.02 64.00 2iyk s SER 105 CO 0.13 0.02 2.07 1.56 1.20 0.00 0.00 173.24 178.21 2iyk h GLN 106 N 3.44 0.00 -0.21 5.44 1.08 -1.91 0.29 115.11 123.24 2iyk h GLN 106 Ca -0.47 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.63 2iyk h GLN 106 Cb 1.19 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 2iyk h GLN 106 CO 0.65 0.00 -0.30 1.03 -0.95 0.00 0.00 178.83 179.26 2iyk h SER 107 N 0.00 0.44 0.05 1.46 0.87 -1.92 -3.17 113.55 111.27 2iyk h SER 107 Ca 0.06 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2iyk h SER 107 Cb 0.54 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2iyk h SER 107 CO -0.00 0.73 -0.22 -1.20 -0.53 0.00 0.00 176.83 175.61 2iyk n SER 108 N -4.09 1.89 -4.46 6.23 7.64 1.00 -4.96 113.62 116.86 2iyk n SER 108 Ca -0.01 -1.46 -0.26 0.00 1.01 0.00 0.00 58.87 58.15 2iyk n SER 108 Cb 0.43 0.19 -0.11 0.00 -1.01 0.00 0.00 64.21 63.71 2iyk n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2iyk s LEU 109 N -2.28 2.57 -0.33 -3.43 1.43 -0.96 -4.95 118.68 110.73 2iyk s LEU 109 Ca 0.26 -0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 2iyk s LEU 109 Cb 0.19 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 45.16 2iyk s LEU 109 CO 0.45 0.11 0.95 -0.54 0.23 0.00 0.00 176.35 177.55 2iyk s LYS 110 N -2.82 3.98 0.29 1.70 1.02 -1.26 -4.89 119.74 117.76 2iyk s LYS 110 Ca 0.23 0.81 0.03 0.00 0.02 0.00 0.00 55.97 57.06 2iyk s LYS 110 Cb -0.08 -3.75 0.70 0.00 -0.52 0.00 0.00 37.83 34.18 2iyk s LYS 110 CO 0.12 -0.84 1.73 -0.44 -0.92 0.00 0.00 175.35 174.99 2iyk h ASP 111 N 8.18 0.47 0.03 2.83 3.32 -1.87 -0.36 116.42 129.02 2iyk h ASP 111 Ca -0.22 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2iyk h ASP 111 Cb 1.08 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 2iyk h ASP 111 CO 0.97 0.10 -0.02 -0.29 -1.72 0.00 0.00 179.24 178.28 2iyk h ILE 112 N 0.52 1.00 0.00 0.35 2.10 -2.01 -3.26 117.51 116.20 2iyk h ILE 112 Ca 0.55 -0.08 -0.02 0.00 1.08 0.00 0.00 64.86 66.38 2iyk h ILE 112 Cb 0.96 1.05 -0.00 0.00 -1.09 0.00 0.00 36.82 37.73 2iyk h ILE 112 CO -0.46 0.02 -1.12 -3.20 -1.08 0.00 0.00 178.15 172.31 2iyk n ASN 113 N -4.48 4.55 -4.12 2.19 5.15 -0.94 -4.89 115.26 112.72 2iyk n ASN 113 Ca -0.03 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.62 2iyk n ASN 113 Cb 0.11 0.69 -0.16 0.00 -0.53 0.00 0.00 39.78 39.89 2iyk n ASN 113 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2iyk s TRP 114 N -2.07 2.92 -0.38 1.20 0.52 -0.19 -1.65 118.94 119.30 2iyk s TRP 114 Ca -0.01 -1.79 -0.16 0.00 0.02 0.00 0.00 56.10 54.17 2iyk s TRP 114 Cb 0.01 -1.93 0.00 0.00 -1.15 0.00 0.00 33.47 30.40 2iyk s TRP 114 CO 0.08 -0.82 0.37 0.34 0.02 0.00 0.00 176.95 176.94 2iyk s ASP 115 N 1.25 6.17 0.56 2.95 2.15 -1.26 -4.32 116.67 124.16 2iyk s ASP 115 Ca 0.01 -0.48 0.24 0.00 0.43 0.00 0.00 52.55 52.76 2iyk s ASP 115 Cb -0.15 -2.20 1.59 0.00 -0.30 0.00 0.00 42.92 41.87 2iyk s ASP 115 CO -0.10 -0.42 2.21 -1.28 -0.17 0.00 0.00 175.17 175.40 2iyk h SER 116 N 8.57 0.00 0.22 -0.34 0.87 -1.94 -0.93 113.55 120.01 2iyk h SER 116 Ca -0.28 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 2iyk h SER 116 Cb 1.13 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2iyk h SER 116 CO 0.73 0.01 -0.14 0.28 -0.53 0.00 0.00 176.83 177.17 2iyk h SER 117 N 0.00 0.00 0.41 6.23 0.02 -1.92 -2.82 113.55 115.47 2iyk h SER 117 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2iyk h SER 117 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2iyk h SER 117 CO 0.00 0.14 0.00 1.67 -1.14 0.00 0.00 176.83 177.50 2iyk n GLN 118 N -4.06 0.50 -1.84 3.45 -0.06 -0.35 -4.82 117.38 110.20 2iyk n GLN 118 Ca -0.02 0.02 -0.39 0.00 -2.00 0.00 0.00 57.00 54.60 2iyk n GLN 118 Cb 0.22 -1.50 0.02 0.00 -4.06 0.00 0.00 30.24 24.92 2iyk n GLN 118 CO 0.00 0.00 0.00 -0.46 -0.20 0.00 0.00 177.06 176.40 2iyk s TRP 119 N -2.45 2.47 -0.18 3.69 -0.00 -1.07 -4.61 118.94 116.79 2iyk s TRP 119 Ca 0.30 1.31 -0.15 0.00 -0.00 0.00 0.00 56.10 57.56 2iyk s TRP 119 Cb 0.19 -3.85 0.05 0.00 -0.00 0.00 0.00 33.47 29.86 2iyk s TRP 119 CO 0.40 -2.79 0.47 -0.65 -0.00 0.00 0.00 176.95 174.37 2iyk s GLN 120 N -2.54 0.52 0.69 5.86 -0.21 -1.01 -4.96 119.66 118.00 2iyk s GLN 120 Ca 0.63 0.71 -0.17 0.00 0.02 0.00 0.00 55.36 56.55 2iyk s GLN 120 Cb -0.42 0.19 0.01 0.00 1.00 0.00 0.00 33.01 33.80 2iyk s GLN 120 CO 0.53 -0.09 1.27 -2.14 -2.12 0.00 0.00 175.29 172.74 2iyk s PRO 121 N 0.59 2.33 0.26 2.91 0.02 -1.26 -0.63 135.00 139.22 2iyk s PRO 121 Ca -0.03 1.99 0.11 0.00 0.02 0.00 0.00 61.00 63.09 2iyk s PRO 121 Cb -0.05 -1.83 0.29 0.00 0.02 0.00 0.00 34.50 32.94 2iyk s PRO 121 CO -0.04 -1.75 1.56 -0.07 -0.33 0.00 0.00 177.00 176.38 2iyk h LEU 122 N 0.19 0.00 -8.48 -5.54 3.38 -1.55 -3.43 115.31 99.88 2iyk h LEU 122 Ca -0.50 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.81 2iyk h LEU 122 Cb 1.33 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.82 2iyk h LEU 122 CO 0.51 0.64 -0.65 -0.63 0.09 0.00 0.00 178.44 178.41 2iyk s ILE 123 N -3.42 3.92 0.03 1.22 1.01 -1.26 -2.32 121.20 120.38 2iyk s ILE 123 Ca -0.00 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.23 2iyk s ILE 123 Cb 0.12 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 2iyk s ILE 123 CO 0.76 0.27 -0.10 -1.10 0.00 0.00 0.00 174.94 174.77 2iyk s GLN 124 N 1.54 0.70 -1.68 2.79 -0.21 -0.22 -4.84 119.66 117.74 2iyk s GLN 124 Ca 0.05 -0.62 -0.02 0.00 0.02 0.00 0.00 55.36 54.79 2iyk s GLN 124 Cb -0.16 -0.62 0.00 0.00 1.00 0.00 0.00 33.01 33.23 2iyk s GLN 124 CO 0.01 0.15 0.31 -3.47 -2.12 0.00 0.00 175.29 170.17 2iyk n ASP 125 N 2.03 -6.04 -3.60 5.90 2.03 -1.26 -1.87 116.55 113.74 2iyk n ASP 125 Ca -0.18 -0.16 -0.24 0.00 0.52 0.00 0.00 54.79 54.74 2iyk n ASP 125 Cb 0.55 -4.95 0.08 0.00 -0.72 0.00 0.00 41.12 36.08 2iyk n ASP 125 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2iyk n ARG 126 N -3.54 -7.90 -3.81 -0.67 1.74 -1.26 -4.80 116.66 96.42 2iyk n ARG 126 Ca -0.18 0.83 -0.04 0.00 -0.77 0.00 0.00 57.85 57.69 2iyk n ARG 126 Cb 0.65 -5.88 0.00 0.00 -1.02 0.00 0.00 32.46 26.21 2iyk n ARG 126 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2iyk s PHE 128 N -2.84 3.37 0.28 0.00 0.40 -1.26 -1.05 117.98 116.87 2iyk s PHE 128 Ca 0.16 1.36 -0.30 0.00 -0.60 0.00 0.00 56.93 57.55 2iyk s PHE 128 Cb -0.02 -2.66 -0.11 0.00 0.51 0.00 0.00 43.02 40.74 2iyk s PHE 128 CO 0.05 -0.04 1.59 -0.51 0.70 0.00 0.00 175.22 177.01 2iyk s LEU 129 N -3.22 4.35 0.53 -0.37 1.43 -0.98 -4.75 118.68 115.67 2iyk s LEU 129 Ca 0.57 2.91 0.26 0.00 -1.03 0.00 0.00 54.13 56.83 2iyk s LEU 129 Cb -0.10 -3.63 1.40 0.00 0.03 0.00 0.00 46.19 43.90 2iyk s LEU 129 CO 0.18 -0.89 1.99 0.77 0.23 0.00 0.00 176.35 178.63 2iyk h SER 130 N 5.07 0.00 1.32 2.29 4.64 -1.95 0.14 113.55 125.05 2iyk h SER 130 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2iyk h SER 130 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2iyk h SER 130 CO 0.81 0.00 0.00 4.11 -0.87 0.00 0.00 176.83 180.88 2iyk h TRP 131 N 0.00 0.00 0.00 4.77 5.08 -1.99 -2.83 115.95 120.99 2iyk h TRP 131 Ca 0.25 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.13 2iyk h TRP 131 Cb 1.03 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.18 2iyk h TRP 131 CO 0.00 0.00 -0.59 -0.07 -1.28 0.00 0.00 178.44 176.50 2iyk h LEU 132 N 0.00 0.00 -7.37 0.11 3.38 -1.11 -3.45 115.31 106.86 2iyk h LEU 132 Ca 0.00 -0.60 -0.46 0.00 0.09 0.00 0.00 57.88 56.91 2iyk h LEU 132 Cb 0.66 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.02 2iyk h LEU 132 CO 0.00 1.14 -0.76 -0.69 0.09 0.00 0.00 178.44 178.22 2iyk s VAL 133 N -2.22 0.34 0.47 1.22 1.01 -0.83 -4.59 120.40 115.80 2iyk s VAL 133 Ca -0.21 -0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 2iyk s VAL 133 Cb 0.02 -0.64 -0.07 0.00 0.00 0.00 0.00 36.38 35.68 2iyk s VAL 133 CO 0.54 0.08 1.29 -0.54 0.00 0.00 0.00 175.10 176.47 2iyk s LYS 134 N 1.97 3.60 -0.21 2.72 1.02 -0.57 -4.07 119.74 124.21 2iyk s LYS 134 Ca 0.03 2.08 -0.23 0.00 0.02 0.00 0.00 55.97 57.88 2iyk s LYS 134 Cb -0.14 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.68 2iyk s LYS 134 CO -0.06 -0.77 0.72 0.42 -0.92 0.00 0.00 175.35 174.74 2iyk s ILE 135 N -1.36 4.94 0.45 2.17 1.01 -1.26 -4.28 121.20 122.88 2iyk s ILE 135 Ca 0.64 1.37 -0.23 0.00 0.00 0.00 0.00 60.65 62.43 2iyk s ILE 135 Cb -0.36 -4.03 -0.10 0.00 0.01 0.00 0.00 42.46 37.98 2iyk s ILE 135 CO 0.45 0.04 0.90 -2.65 0.00 0.00 0.00 174.94 173.67 2iyk n PRO 136 N 5.39 1.11 -1.21 2.79 -0.02 -1.26 -4.95 135.00 136.84 2iyk n PRO 136 Ca 0.02 0.40 -0.31 0.00 -2.02 0.00 0.00 63.50 61.59 2iyk n PRO 136 Cb 0.49 -1.95 0.10 0.00 -0.02 0.00 0.00 33.50 32.12 2iyk n PRO 136 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2iyk s SER 137 N -0.87 4.30 0.20 2.55 1.04 -1.26 -4.82 113.70 114.84 2iyk s SER 137 Ca 0.65 1.82 -0.21 0.00 0.48 0.00 0.00 55.95 58.69 2iyk s SER 137 Cb -0.54 -2.49 0.14 0.00 0.10 0.00 0.00 66.02 63.23 2iyk s SER 137 CO 0.56 -2.17 1.50 -0.62 0.98 0.00 0.00 173.24 173.49 2iyk n GLU 138 N -3.61 -0.29 0.16 4.02 -0.58 -1.26 -1.48 120.64 117.60 2iyk n GLU 138 Ca 0.09 1.48 0.05 0.00 -0.42 0.00 0.00 57.16 58.36 2iyk n GLU 138 Cb 0.53 -2.19 0.06 0.00 -0.57 0.00 0.00 31.44 29.27 2iyk n GLU 138 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 2iyk h GLN 139 N 0.00 0.00 -0.01 3.49 3.07 -1.99 -2.68 115.11 116.99 2iyk h GLN 139 Ca 0.28 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.86 2iyk h GLN 139 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.06 2iyk h GLN 139 CO -0.95 0.35 -0.72 1.49 0.09 0.00 0.00 178.83 179.10 2iyk h GLU 140 N 0.00 0.07 0.00 0.06 4.81 -1.84 -2.69 114.58 115.00 2iyk h GLU 140 Ca -0.01 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 2iyk h GLU 140 Cb 1.28 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2iyk h GLU 140 CO 0.05 0.76 -0.44 1.96 -0.73 0.00 0.00 179.01 180.61 2iyk h GLN 141 N 0.05 0.00 0.01 1.92 4.20 -1.15 -3.18 115.11 116.96 2iyk h GLN 141 Ca -0.01 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 2iyk h GLN 141 Cb 1.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 2iyk h GLN 141 CO 0.10 0.44 -0.89 -0.07 -0.67 0.00 0.00 178.83 177.73 2iyk h LEU 142 N 0.00 0.08 -0.74 1.46 3.38 -1.37 -3.28 115.31 114.84 2iyk h LEU 142 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2iyk h LEU 142 Cb 1.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2iyk h LEU 142 CO 0.06 0.93 0.00 0.03 0.09 0.00 0.00 178.44 179.55 2iyk h ARG 143 N 0.03 0.00 -7.64 1.13 3.08 -1.46 -3.46 114.38 106.05 2iyk h ARG 143 Ca -0.02 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.57 2iyk h ARG 143 Cb 1.56 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.73 2iyk h ARG 143 CO 0.12 0.00 0.38 0.00 -1.07 0.00 0.00 179.97 179.40 2iyk s ALA 144 N -3.42 2.27 -0.01 0.04 0.00 -1.21 -4.98 121.76 114.45 2iyk s ALA 144 Ca 0.04 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 2iyk s ALA 144 Cb 0.08 -2.92 -0.08 0.00 0.00 0.00 0.00 23.12 20.20 2iyk s ALA 144 CO 0.57 -2.10 1.93 1.03 0.00 0.00 0.00 175.76 177.20 2iyk s ARG 145 N -5.60 4.03 -1.28 0.00 0.52 -0.26 -4.90 118.95 111.47 2iyk s ARG 145 Ca 0.66 2.45 -0.19 0.00 -0.52 0.00 0.00 55.73 58.14 2iyk s ARG 145 Cb -0.10 -4.15 0.05 0.00 0.52 0.00 0.00 34.95 31.27 2iyk s ARG 145 CO 0.51 -1.07 1.75 -0.65 0.02 0.00 0.00 175.30 175.86 2iyk s GLN 146 N 4.60 3.79 0.10 3.54 -1.52 -1.26 -4.61 119.66 124.30 2iyk s GLN 146 Ca 0.87 -1.86 -0.12 0.00 -1.95 0.00 0.00 55.36 52.29 2iyk s GLN 146 Cb -0.40 -5.50 -0.06 0.00 -0.22 0.00 0.00 33.01 26.84 2iyk s GLN 146 CO 0.39 -2.47 0.47 -1.50 -0.25 0.00 0.00 175.29 171.92 2iyk s ILE 147 N 5.09 4.98 0.55 1.08 2.07 -1.26 -5.03 121.20 128.68 2iyk s ILE 147 Ca 0.55 0.67 0.07 0.00 -1.41 0.00 0.00 60.65 60.53 2iyk s ILE 147 Cb 0.03 -3.70 0.07 0.00 0.13 0.00 0.00 42.46 38.99 2iyk s ILE 147 CO 0.08 0.31 0.76 0.42 -1.91 0.00 0.00 174.94 174.60 2iyk s THR 148 N -1.38 2.42 0.37 4.00 -4.23 -1.26 -3.98 115.64 111.57 2iyk s THR 148 Ca 0.34 -0.91 0.17 0.00 -1.18 0.00 0.00 61.69 60.11 2iyk s THR 148 Cb -0.15 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.34 2iyk s THR 148 CO 0.18 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.16 2iyk h ALA 149 N 0.19 1.36 0.10 3.99 0.00 -2.00 -2.72 119.26 120.19 2iyk h ALA 149 Ca -0.35 -0.26 -0.27 0.00 0.00 0.00 0.00 54.91 54.03 2iyk h ALA 149 Cb 1.28 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.04 2iyk h ALA 149 CO 0.43 0.35 -1.18 1.96 0.00 0.00 0.00 179.25 180.82 2iyk h GLN 150 N 0.00 0.43 -0.34 0.00 4.20 -1.99 -2.99 115.11 114.41 2iyk h GLN 150 Ca -0.00 -0.60 -0.09 0.00 0.06 0.00 0.00 58.65 58.02 2iyk h GLN 150 Cb 0.56 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 2iyk h GLN 150 CO 0.04 1.25 -0.16 1.96 -0.67 0.00 0.00 178.83 181.25 2iyk h GLN 151 N 0.18 0.62 0.18 1.46 4.20 -1.95 -2.27 115.11 117.52 2iyk h GLN 151 Ca -0.14 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.37 2iyk h GLN 151 Cb 1.86 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.55 2iyk h GLN 151 CO 0.21 0.75 -0.38 0.82 -0.67 0.00 0.00 178.83 179.56 2iyk h ILE 152 N 0.56 0.22 -0.74 2.54 1.08 -1.55 0.13 117.51 119.75 2iyk h ILE 152 Ca 0.09 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.66 2iyk h ILE 152 Cb 0.59 0.22 -0.05 0.00 -3.07 0.00 0.00 36.82 34.52 2iyk h ILE 152 CO 0.04 0.00 0.49 0.78 -0.69 0.00 0.00 178.15 178.77 2iyk h ASN 153 N -0.65 0.58 0.03 1.72 -0.26 -1.34 0.17 115.58 115.83 2iyk h ASN 153 Ca 0.01 0.01 -0.23 0.00 -0.56 0.00 0.00 56.30 55.54 2iyk h ASN 153 Cb 0.65 -0.11 0.02 0.00 -1.06 0.00 0.00 38.32 37.82 2iyk h ASN 153 CO -0.19 0.35 -0.90 0.50 -1.06 0.00 0.00 177.43 176.13 2iyk h LYS 154 N 0.64 0.56 -0.72 0.81 3.64 -1.25 -2.84 116.57 117.40 2iyk h LYS 154 Ca 0.34 -0.64 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 2iyk h LYS 154 Cb 0.47 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 2iyk h LYS 154 CO -0.12 1.25 0.30 1.25 -2.27 0.00 0.00 179.45 179.86 2iyk h LEU 155 N 0.14 0.97 -0.51 5.20 5.85 0.09 0.77 115.31 127.82 2iyk h LEU 155 Ca -0.12 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 2iyk h LEU 155 Cb 1.59 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 2iyk h LEU 155 CO 0.18 0.85 0.23 -0.08 -0.34 0.00 0.00 178.44 179.28 2iyk h GLU 156 N 1.04 0.74 -0.37 1.25 4.57 -0.76 -1.84 114.58 119.20 2iyk h GLU 156 Ca 0.24 -0.11 -0.16 0.00 -1.18 0.00 0.00 59.36 58.14 2iyk h GLU 156 Cb 0.18 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2iyk h GLU 156 CO -0.02 0.62 -0.41 1.49 -1.18 0.00 0.00 179.01 179.51 2iyk h GLU 157 N 0.68 0.94 -0.18 1.92 4.81 -1.21 -2.31 114.58 119.22 2iyk h GLU 157 Ca 0.17 -0.51 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 2iyk h GLU 157 Cb 0.14 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2iyk h GLU 157 CO -0.02 1.16 0.16 1.25 -0.73 0.00 0.00 179.01 180.83 2iyk h LEU 158 N 0.75 0.00 0.17 1.64 6.46 -0.75 -2.34 115.31 121.24 2iyk h LEU 158 Ca 0.05 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.53 2iyk h LEU 158 Cb 1.01 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.97 2iyk h LEU 158 CO 0.10 0.00 -1.21 -0.50 -0.62 0.00 0.00 178.44 176.21 2iyk h TRP 159 N 0.00 0.90 0.00 1.25 6.55 -0.81 -3.30 115.95 120.53 2iyk h TRP 159 Ca 0.09 -0.61 0.00 0.00 0.95 0.00 0.00 58.89 59.32 2iyk h TRP 159 Cb 0.41 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.65 2iyk h TRP 159 CO 0.00 1.46 0.22 0.87 -1.05 0.00 0.00 178.44 179.94 2iyk h LYS 160 N 0.09 0.00 -0.49 0.49 1.57 -0.90 -1.04 116.57 116.28 2iyk h LYS 160 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2iyk h LYS 160 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.23 2iyk h LYS 160 CO 0.23 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.50 2iyk n GLU 161 N -2.23 2.55 0.00 3.15 1.02 -1.23 -5.12 120.64 118.78 2iyk n GLU 161 Ca -0.01 -2.33 0.00 0.00 -0.02 0.00 0.00 57.16 54.80 2iyk n GLU 161 Cb 0.25 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2iyk n GLU 161 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58