#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 0.84 0.44 1.96 0.02 -1.26 -4.93 135.00 132.08 2iyk s PRO 9 Ca 0.00 0.62 0.19 0.00 0.02 0.00 0.00 61.00 61.83 2iyk s PRO 9 Cb 0.00 -1.78 1.03 0.00 0.02 0.00 0.00 34.50 33.78 2iyk s PRO 9 CO 0.00 -2.47 1.93 0.97 -0.33 0.00 0.00 177.00 177.10 2iyk h ILE 10 N -1.71 0.92 -0.50 2.83 2.10 -2.02 -2.89 117.51 116.23 2iyk h ILE 10 Ca -0.52 -0.92 0.00 0.00 1.08 0.00 0.00 64.86 64.50 2iyk h ILE 10 Cb 1.31 1.54 0.00 0.00 -1.09 0.00 0.00 36.82 38.58 2iyk h ILE 10 CO 0.57 0.24 0.00 0.00 -1.08 0.00 0.00 178.15 177.88 2iyk n HIS 11 N -3.87 1.64 -2.36 2.19 1.44 -1.26 -4.78 115.22 108.21 2iyk n HIS 11 Ca -0.02 -0.58 -0.40 0.00 -2.01 0.00 0.00 57.72 54.71 2iyk n HIS 11 Cb 0.33 -0.39 -0.03 0.00 0.12 0.00 0.00 29.99 30.01 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 -2.32 3.35 0.01 1.59 0.00 -1.10 -4.75 121.76 118.55 2iyk s ALA 12 Ca 0.45 0.98 -0.36 0.00 0.00 0.00 0.00 51.96 53.03 2iyk s ALA 12 Cb 0.33 -3.37 -0.15 0.00 0.00 0.00 0.00 23.12 19.93 2iyk s ALA 12 CO 0.15 -0.34 1.55 0.00 0.00 0.00 0.00 175.76 177.11 2iyk n SER 14 N 3.83 0.00 -0.12 0.00 7.64 0.12 -1.46 113.62 123.64 2iyk n SER 14 Ca 0.20 0.39 -0.23 0.00 1.01 0.00 0.00 58.87 60.24 2iyk n SER 14 Cb 0.21 -0.44 -0.09 0.00 -1.01 0.00 0.00 64.21 62.89 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 -1.44 0.29 -0.01 1.43 0.53 -1.26 -4.86 117.16 111.83 2iyk n TYR 15 Ca 0.04 0.13 -0.00 0.00 -1.02 0.00 0.00 57.90 57.04 2iyk n TYR 15 Cb 0.13 -0.93 -0.03 0.00 -1.03 0.00 0.00 39.34 37.47 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 2.55 0.78 3.70 0.00 0.00 -0.53 -0.86 105.19 110.82 2iyk n GLY 17 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 2iyk n GLY 17 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2iyk n ILE 18 N -2.11 0.29 -1.30 -0.61 5.41 -1.26 -4.49 119.36 115.29 2iyk n ILE 18 Ca 0.00 -0.07 0.05 0.00 1.00 0.00 0.00 62.75 63.73 2iyk n ILE 18 Cb 0.00 -1.77 0.07 0.00 -0.71 0.00 0.00 39.64 37.23 2iyk n ILE 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2iyk n HIS 19 N 3.22 0.00 -1.88 1.39 1.44 -1.26 -0.32 115.22 117.82 2iyk n HIS 19 Ca 0.14 -0.56 -0.42 0.00 -2.01 0.00 0.00 57.72 54.87 2iyk n HIS 19 Cb 0.33 -0.10 -0.03 0.00 0.12 0.00 0.00 29.99 30.31 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 -1.93 6.32 0.54 4.39 -1.08 -1.26 -4.85 116.67 118.79 2iyk s ASP 20 Ca 0.17 2.12 0.29 0.00 -0.52 0.00 0.00 52.55 54.61 2iyk s ASP 20 Cb 0.15 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 40.53 2iyk s ASP 20 CO 0.02 -1.23 1.93 -0.65 0.52 0.00 0.00 175.17 175.75 2iyk h PRO 21 N 11.11 0.00 0.00 4.34 0.11 -1.93 0.18 132.00 145.81 2iyk h PRO 21 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2iyk h PRO 21 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2iyk h PRO 21 CO 0.97 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 2iyk h ALA 22 N 1.62 1.00 0.00 -0.75 0.00 -1.89 -3.33 119.26 115.91 2iyk h ALA 22 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2iyk h ALA 22 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2iyk h ALA 22 CO -0.00 0.00 -1.07 0.00 0.00 0.00 0.00 179.25 178.18 2iyk s VAL 24 N -2.80 4.55 -0.02 0.00 -7.23 -1.20 -0.00 120.40 113.70 2iyk s VAL 24 Ca 0.03 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 2iyk s VAL 24 Cb 0.13 -3.42 0.02 0.00 0.56 0.00 0.00 36.38 33.66 2iyk s VAL 24 CO 0.73 -0.28 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.53 2iyk s VAL 25 N -2.02 0.20 -0.10 1.32 1.01 0.92 -4.49 120.40 117.25 2iyk s VAL 25 Ca 0.32 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 2iyk s VAL 25 Cb -0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 2iyk s VAL 25 CO 0.25 0.12 0.53 -0.47 0.00 0.00 0.00 175.10 175.53 2iyk s TYR 26 N 0.66 3.54 -0.42 5.22 5.04 -0.46 -0.92 117.35 130.01 2iyk s TYR 26 Ca -0.07 0.98 -0.18 0.00 -2.44 0.00 0.00 57.07 55.37 2iyk s TYR 26 Cb -0.10 -2.60 0.02 0.00 0.35 0.00 0.00 41.96 39.64 2iyk s TYR 26 CO -0.01 0.17 0.47 0.00 -1.34 0.00 0.00 175.55 174.84 2iyk h ASN 28 N 8.74 0.57 0.04 0.00 2.35 -1.72 0.57 115.58 126.14 2iyk h ASN 28 Ca -0.26 0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2iyk h ASN 28 Cb 1.11 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2iyk h ASN 28 CO 0.81 0.19 -0.02 0.74 -1.65 0.00 0.00 177.43 177.50 2iyk h THR 29 N 0.62 1.32 -0.02 2.81 2.02 -1.94 -3.33 112.91 114.39 2iyk h THR 29 Ca 0.53 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2iyk h THR 29 Cb 0.84 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 2iyk h THR 29 CO -0.41 0.31 -0.20 -1.54 0.37 0.00 0.00 175.52 174.05 2iyk n SER 30 N -4.85 2.15 -3.56 4.18 3.41 -1.14 -4.97 113.62 108.84 2iyk n SER 30 Ca -0.09 -1.60 -0.23 0.00 -0.26 0.00 0.00 58.87 56.70 2iyk n SER 30 Cb 0.28 0.18 0.08 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.41 -7.73 -4.11 4.33 5.02 0.18 -5.01 118.16 111.26 2iyk n LYS 31 Ca 0.13 0.83 -0.11 0.00 -2.02 0.00 0.00 58.31 57.14 2iyk n LYS 31 Cb 0.48 -5.87 -0.11 0.00 -0.02 0.00 0.00 35.03 29.51 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 -6.14 0.66 0.03 1.97 1.02 -1.23 -4.95 119.74 111.10 2iyk s LYS 32 Ca 0.48 -1.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.39 2iyk s LYS 32 Cb -0.21 -0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 36.87 2iyk s LYS 32 CO 0.73 0.00 0.25 -1.58 -0.92 0.00 0.00 175.35 173.82 2iyk s TRP 33 N -2.58 3.55 -0.10 3.18 0.52 -1.26 -0.93 118.94 121.31 2iyk s TRP 33 Ca 0.01 0.45 -0.08 0.00 0.02 0.00 0.00 56.10 56.49 2iyk s TRP 33 Cb -0.02 -1.90 0.03 0.00 -1.15 0.00 0.00 33.47 30.43 2iyk s TRP 33 CO -0.03 0.60 0.26 -0.06 0.02 0.00 0.00 176.95 177.74 2iyk s PHE 34 N -1.39 -0.30 0.70 -1.98 0.40 -0.10 0.15 117.98 115.46 2iyk s PHE 34 Ca 0.31 0.73 -0.08 0.00 -0.60 0.00 0.00 56.93 57.29 2iyk s PHE 34 Cb -0.13 0.09 0.05 0.00 0.51 0.00 0.00 43.02 43.55 2iyk s PHE 34 CO 0.20 -0.16 1.02 0.00 0.70 0.00 0.00 175.22 176.99 2iyk n ASN 36 N -2.93 3.93 -4.70 0.00 4.05 1.00 -2.41 115.26 114.21 2iyk n ASN 36 Ca 0.07 -3.59 -0.27 0.00 0.45 0.00 0.00 54.58 51.25 2iyk n ASN 36 Cb 0.60 -0.84 -0.07 0.00 1.23 0.00 0.00 39.78 40.69 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 -1.28 1.76 -0.00 8.20 0.00 -1.26 -4.55 107.32 110.19 2iyk s GLY 37 Ca 0.56 -1.29 0.21 0.00 0.00 0.00 0.00 44.72 44.21 2iyk s GLY 37 CO 0.10 -1.30 0.85 -0.96 0.00 0.00 0.00 173.10 171.79 2iyk n ARG 38 N -0.04 0.08 0.00 2.90 1.85 -1.26 -1.58 116.66 118.62 2iyk n ARG 38 Ca -0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 2iyk n ARG 38 Cb 0.54 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 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 1.47 3.16 0.88 2.89 0.00 -1.26 -0.33 105.19 112.00 2iyk n GLY 39 Ca 0.03 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 4.38 2.58 -4.73 1.61 3.02 -1.26 -4.94 115.26 115.92 2iyk n ASN 40 Ca 0.00 -1.92 -0.23 0.00 -0.03 0.00 0.00 54.58 52.40 2iyk n ASN 40 Cb 0.00 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 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 -1.49 3.06 -0.65 3.41 -4.23 0.56 -4.65 115.64 111.64 2iyk s THR 41 Ca 0.34 -1.69 0.24 0.00 -1.18 0.00 0.00 61.69 59.40 2iyk s THR 41 Cb 0.19 -2.98 0.06 0.00 1.34 0.00 0.00 72.50 71.10 2iyk s THR 41 CO 0.26 -0.19 1.34 -1.54 -0.54 0.00 0.00 174.62 173.95 2iyk n SER 42 N -1.14 0.70 -4.56 3.99 3.41 -1.26 -4.80 113.62 109.96 2iyk n SER 42 Ca -0.03 0.14 -0.26 0.00 -0.26 0.00 0.00 58.87 58.45 2iyk n SER 42 Cb 0.61 0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 64.57 2iyk n SER 42 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2iyk s GLY 43 N -3.65 2.26 0.83 5.00 0.00 -1.26 -4.95 107.32 105.56 2iyk s GLY 43 Ca 0.06 -2.14 -0.12 0.00 0.00 0.00 0.00 44.72 42.53 2iyk s GLY 43 CO 0.72 -2.04 1.10 -1.35 0.00 0.00 0.00 173.10 171.52 2iyk s SER 44 N -3.63 4.15 0.05 1.64 1.04 -0.63 -4.47 113.70 111.85 2iyk s SER 44 Ca 0.33 1.33 -0.22 0.00 0.48 0.00 0.00 55.95 57.87 2iyk s SER 44 Cb 0.05 -2.04 -0.14 0.00 0.10 0.00 0.00 66.02 63.98 2iyk s SER 44 CO 0.17 -2.19 1.48 0.45 0.98 0.00 0.00 173.24 174.12 2iyk h HIS 45 N -1.24 0.21 -0.64 5.02 3.86 -1.24 -0.59 115.15 120.53 2iyk h HIS 45 Ca -0.48 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 58.72 2iyk h HIS 45 Cb 1.28 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.65 2iyk h HIS 45 CO 0.44 0.44 0.39 0.82 0.86 0.00 0.00 177.93 180.88 2iyk h ILE 46 N -0.08 1.08 -0.53 2.45 5.03 -1.71 -0.48 117.51 123.27 2iyk h ILE 46 Ca 0.03 -0.26 -0.01 0.00 -0.12 0.00 0.00 64.86 64.50 2iyk h ILE 46 Cb 0.35 0.24 -0.03 0.00 -3.03 0.00 0.00 36.82 34.36 2iyk h ILE 46 CO 0.01 0.14 0.30 0.58 -0.68 0.00 0.00 178.15 178.50 2iyk h VAL 47 N 0.77 1.17 -0.14 1.67 2.07 -1.82 0.65 116.25 120.62 2iyk h VAL 47 Ca 0.26 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.40 2iyk h VAL 47 Cb 0.02 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 2iyk h VAL 47 CO -0.10 0.18 -0.21 0.78 0.02 0.00 0.00 177.57 178.24 2iyk h ASN 48 N 0.71 -0.66 0.28 0.57 2.35 -0.58 0.09 115.58 118.35 2iyk h ASN 48 Ca 0.19 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2iyk h ASN 48 Cb 0.03 0.30 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 2iyk h ASN 48 CO -0.03 -0.26 -0.26 -0.74 -1.65 0.00 0.00 177.43 174.49 2iyk h HIS 49 N -0.26 -0.68 -0.73 1.19 2.76 -0.31 0.79 115.15 117.90 2iyk h HIS 49 Ca 0.10 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.41 2iyk h HIS 49 Cb 0.42 0.26 -0.05 0.00 1.55 0.00 0.00 27.41 29.59 2iyk h HIS 49 CO -0.32 -0.38 0.49 -0.07 -1.30 0.00 0.00 177.93 176.35 2iyk h LEU 50 N -0.56 0.44 0.03 0.26 3.38 0.59 0.19 115.31 119.65 2iyk h LEU 50 Ca -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2iyk h LEU 50 Cb 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2iyk h LEU 50 CO -0.04 0.24 -0.02 0.58 0.09 0.00 0.00 178.44 179.29 2iyk h VAL 51 N 0.47 1.39 0.02 1.22 2.07 -0.67 0.42 116.25 121.17 2iyk h VAL 51 Ca 0.35 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 2iyk h VAL 51 Cb 0.71 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2iyk h VAL 51 CO -0.12 0.41 -0.01 0.03 0.02 0.00 0.00 177.57 177.91 2iyk h ARG 52 N -0.84 -0.02 0.00 1.57 2.47 -0.32 -2.96 114.38 114.29 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 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 2iyk h ARG 52 CO 0.01 0.25 0.00 0.00 0.56 0.00 0.00 179.97 180.78 2iyk n ALA 53 N -2.24 2.02 -2.88 0.04 0.00 0.63 -4.92 120.51 113.16 2iyk n ALA 53 Ca -0.08 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 2iyk n ALA 53 Cb 0.16 -1.38 0.04 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 -1.72 -3.73 -4.12 0.00 5.02 -1.09 -5.05 118.16 107.46 2iyk n LYS 54 Ca 0.05 0.43 -0.22 0.00 -2.02 0.00 0.00 58.31 56.55 2iyk n LYS 54 Cb 0.28 -4.24 -0.05 0.00 -0.02 0.00 0.00 35.03 31.00 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 -1.13 2.98 -4.59 0.00 4.01 -1.26 -4.62 118.16 113.54 2iyk n LYS 56 Ca -0.06 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.40 2iyk n LYS 56 Cb 0.59 -0.57 -0.12 0.00 -0.51 0.00 0.00 35.03 34.42 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 -0.69 2.96 0.16 1.97 2.02 -1.26 -1.38 118.70 122.49 2iyk s GLU 57 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.44 2iyk s GLU 57 Cb 0.00 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 2iyk s GLU 57 CO 0.00 0.56 0.05 0.14 0.02 0.00 0.00 175.26 176.03 2iyk s VAL 58 N -0.52 0.32 0.02 2.63 -7.23 -1.26 -1.95 120.40 112.41 2iyk s VAL 58 Ca 0.08 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 2iyk s VAL 58 Cb -0.12 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 2iyk s VAL 58 CO 0.02 -0.37 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.46 2iyk s THR 59 N -3.91 0.65 0.30 5.32 2.01 -0.04 -2.97 115.64 117.01 2iyk s THR 59 Ca 0.27 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.61 2iyk s THR 59 Cb 0.07 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 2iyk s THR 59 CO 0.05 -0.04 0.48 -0.76 -0.69 0.00 0.00 174.62 173.67 2iyk s LEU 60 N -0.77 4.11 0.43 4.42 1.43 0.25 -1.36 118.68 127.19 2iyk s LEU 60 Ca -0.01 0.39 -0.24 0.00 -1.03 0.00 0.00 54.13 53.24 2iyk s LEU 60 Cb -0.06 -3.22 -0.08 0.00 0.03 0.00 0.00 46.19 42.86 2iyk s LEU 60 CO 0.00 -0.20 1.13 -2.28 0.23 0.00 0.00 176.35 175.23 2iyk s HIS 61 N -2.16 3.04 0.30 0.29 5.65 -1.26 -3.61 115.29 117.55 2iyk s HIS 61 Ca 0.39 1.57 0.06 0.00 0.25 0.00 0.00 55.06 57.33 2iyk s HIS 61 Cb -0.10 -3.30 0.81 0.00 -1.18 0.00 0.00 32.58 28.81 2iyk s HIS 61 CO 0.33 -1.18 1.70 -0.22 -0.65 0.00 0.00 174.74 174.71 2iyk h LYS 62 N 2.30 0.41 -0.02 2.88 3.64 -1.91 -1.91 116.57 121.96 2iyk h LYS 62 Ca -0.49 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2iyk h LYS 62 Cb 1.23 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2iyk h LYS 62 CO 0.61 0.27 -0.03 -0.25 -2.27 0.00 0.00 179.45 177.79 2iyk n ASP 63 N -5.02 1.75 -3.34 4.20 10.43 -1.26 -4.11 116.55 119.20 2iyk n ASP 63 Ca 0.24 -1.55 -0.23 0.00 2.57 0.00 0.00 54.79 55.82 2iyk n ASP 63 Cb 0.72 0.02 0.19 0.00 1.84 0.00 0.00 41.12 43.88 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 1.22 -2.45 0.26 0.44 0.00 -0.72 -4.67 105.19 99.26 2iyk n GLY 64 Ca 0.17 -1.53 0.02 0.00 0.00 0.00 0.00 46.02 44.69 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 0.48 -0.60 1.61 0.11 -1.86 -3.13 132.00 128.62 2iyk h PRO 65 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2iyk h PRO 65 Cb 0.96 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2iyk h PRO 65 CO 0.21 0.32 0.00 1.28 -0.21 0.00 0.00 178.00 179.60 2iyk n LEU 66 N -4.94 4.22 0.00 2.35 4.77 -1.26 -5.08 117.00 117.06 2iyk n LEU 66 Ca 0.11 -2.31 0.04 0.00 -0.03 0.00 0.00 56.01 53.82 2iyk n LEU 66 Cb 0.31 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2iyk n LEU 66 CO 0.22 0.84 -0.06 0.61 -1.33 0.00 0.00 177.39 177.67 2iyk n GLY 67 N 1.05 -1.09 3.56 -0.72 0.00 -1.18 -4.35 105.19 102.45 2iyk n GLY 67 Ca 0.23 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.48 2.71 -0.13 1.61 2.12 -1.21 -4.37 118.70 118.96 2iyk s GLU 68 Ca 0.00 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 54.89 2iyk s GLU 68 Cb 0.00 -5.11 -0.01 0.00 0.26 0.00 0.00 34.13 29.27 2iyk s GLU 68 CO 0.00 -3.22 -0.15 0.99 -0.54 0.00 0.00 175.26 172.34 2iyk s THR 69 N 9.35 2.83 -0.21 -1.70 2.01 -1.24 -4.93 115.64 121.75 2iyk s THR 69 Ca 0.66 -0.74 -0.28 0.00 0.31 0.00 0.00 61.69 61.65 2iyk s THR 69 Cb -0.05 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.28 2iyk s THR 69 CO -0.02 0.53 0.99 -0.69 -0.69 0.00 0.00 174.62 174.74 2iyk s VAL 70 N 0.43 4.73 -0.24 3.82 1.01 -1.26 -0.58 120.40 128.30 2iyk s VAL 70 Ca -0.11 1.94 -0.29 0.00 0.00 0.00 0.00 61.98 63.51 2iyk s VAL 70 Cb -0.16 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2iyk s VAL 70 CO 0.05 -0.12 1.46 -0.76 0.00 0.00 0.00 175.10 175.73 2iyk s LEU 71 N 2.91 3.92 0.08 3.92 1.43 -1.16 -4.97 118.68 124.82 2iyk s LEU 71 Ca 0.43 1.47 -0.16 0.00 -1.03 0.00 0.00 54.13 54.84 2iyk s LEU 71 Cb -0.16 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.56 2iyk s LEU 71 CO 0.08 -1.14 0.38 -1.83 0.23 0.00 0.00 176.35 174.07 2iyk s GLU 72 N 4.36 0.96 -0.04 1.70 -1.05 -1.26 -4.65 118.70 118.71 2iyk s GLU 72 Ca 0.64 -0.57 -0.30 0.00 -0.15 0.00 0.00 54.97 54.59 2iyk s GLU 72 Cb -0.22 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 2iyk s GLU 72 CO 0.26 -0.35 1.35 0.00 0.95 0.00 0.00 175.26 177.47 2iyk h TYR 74 N 7.94 0.39 0.00 0.00 3.20 -1.02 0.49 116.97 127.97 2iyk h TYR 74 Ca -0.35 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.53 2iyk h TYR 74 Cb 1.16 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2iyk h TYR 74 CO 0.76 0.13 -0.00 -0.97 -1.64 0.00 0.00 178.16 176.44 2iyk h ASN 75 N 0.31 -0.00 0.00 -2.11 -1.24 -1.91 -3.42 115.58 107.21 2iyk h ASN 75 Ca 0.40 -0.70 0.00 0.00 0.71 0.00 0.00 56.30 56.71 2iyk h ASN 75 Cb 1.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.14 2iyk h ASN 75 CO -0.11 0.84 0.00 0.00 -1.29 0.00 0.00 177.43 176.87 2iyk n GLY 77 N 0.30 0.51 3.74 0.00 0.00 0.15 -4.97 105.19 104.92 2iyk n GLY 77 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 2.84 1.93 -1.84 0.00 1.74 -1.26 -0.77 116.66 119.30 2iyk n ARG 79 Ca 0.11 -1.67 -0.43 0.00 -0.77 0.00 0.00 57.85 55.09 2iyk n ARG 79 Cb 0.36 -1.23 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 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 -0.95 5.69 0.47 0.55 3.84 -1.26 -4.22 114.94 119.06 2iyk s ASN 80 Ca 0.18 1.52 0.25 0.00 0.21 0.00 0.00 52.86 55.02 2iyk s ASN 80 Cb 0.10 -2.52 1.12 0.00 -0.55 0.00 0.00 41.25 39.41 2iyk s ASN 80 CO 0.14 -1.83 1.92 0.58 -2.79 0.00 0.00 177.10 175.12 2iyk h VAL 81 N 6.96 0.55 0.00 -5.21 2.07 -1.57 -2.38 116.25 116.67 2iyk h VAL 81 Ca -0.36 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2iyk h VAL 81 Cb 1.20 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2iyk h VAL 81 CO 1.01 0.18 0.00 0.49 0.02 0.00 0.00 177.57 179.27 2iyk n PHE 82 N -3.47 0.37 -0.04 1.57 3.01 -1.26 -3.18 117.46 114.46 2iyk n PHE 82 Ca -0.01 0.14 -0.01 0.00 1.01 0.00 0.00 57.45 58.58 2iyk n PHE 82 Cb 0.36 -0.72 -0.10 0.00 -0.01 0.00 0.00 39.48 39.01 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 -1.83 0.00 -4.79 4.37 7.94 -0.92 -4.99 117.00 116.78 2iyk n LEU 83 Ca 0.04 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.59 2iyk n LEU 83 Cb 0.24 0.20 -0.03 0.00 0.53 0.00 0.00 43.42 44.36 2iyk n LEU 83 CO 0.19 0.20 0.73 -0.76 -1.11 0.00 0.00 177.39 176.64 2iyk s LEU 84 N -4.59 3.94 0.32 -1.96 1.43 -1.06 -1.71 118.68 115.05 2iyk s LEU 84 Ca -0.06 1.98 -0.09 0.00 -1.03 0.00 0.00 54.13 54.93 2iyk s LEU 84 Cb 0.06 -4.44 0.01 0.00 0.03 0.00 0.00 46.19 41.85 2iyk s LEU 84 CO 0.55 -0.71 0.54 -0.83 0.23 0.00 0.00 176.35 176.13 2iyk s GLY 85 N -1.83 0.89 0.07 -3.19 0.00 -0.79 -1.72 107.32 100.75 2iyk s GLY 85 Ca 0.64 -1.11 0.10 0.00 0.00 0.00 0.00 44.72 44.35 2iyk s GLY 85 CO 0.23 -0.71 -0.26 -0.11 0.00 0.00 0.00 173.10 172.25 2iyk s PHE 86 N -3.28 2.34 -0.19 1.90 -0.12 0.35 -1.31 117.98 117.67 2iyk s PHE 86 Ca 0.24 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.73 2iyk s PHE 86 Cb -0.02 -1.36 0.02 0.00 -0.63 0.00 0.00 43.02 41.03 2iyk s PHE 86 CO 0.14 0.20 -0.17 0.42 -0.05 0.00 0.00 175.22 175.76 2iyk s ILE 87 N -0.89 2.29 0.51 -4.49 1.01 0.09 -2.23 121.20 117.49 2iyk s ILE 87 Ca 0.13 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.68 2iyk s ILE 87 Cb -0.10 -2.00 -0.07 0.00 0.01 0.00 0.00 42.46 40.31 2iyk s ILE 87 CO 0.03 0.50 1.14 -2.16 0.00 0.00 0.00 174.94 174.45 2iyk s PRO 88 N 1.32 3.52 0.25 2.79 0.04 -1.26 -1.88 135.00 139.77 2iyk s PRO 88 Ca 0.05 1.66 -0.23 0.00 0.04 0.00 0.00 61.00 62.51 2iyk s PRO 88 Cb -0.13 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 2iyk s PRO 88 CO -0.11 -0.72 0.83 0.00 0.04 0.00 0.00 177.00 177.03 2iyk s ALA 89 N -1.69 3.34 0.18 8.56 0.00 -1.26 -4.70 121.76 126.19 2iyk s ALA 89 Ca 0.69 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 2iyk s ALA 89 Cb -0.25 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 2iyk s ALA 89 CO 0.29 0.26 1.06 0.15 0.00 0.00 0.00 175.76 177.52 2iyk s LYS 90 N -1.85 4.65 -1.42 0.00 1.02 -1.26 -3.80 119.74 117.08 2iyk s LYS 90 Ca 0.45 1.65 -0.01 0.00 0.02 0.00 0.00 55.97 58.08 2iyk s LYS 90 Cb -0.19 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 2iyk s LYS 90 CO 0.23 0.17 0.35 0.00 -0.92 0.00 0.00 175.35 175.18 2iyk n ALA 91 N 2.22 -2.03 0.00 5.17 0.00 -1.26 -4.95 120.51 119.67 2iyk n ALA 91 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2iyk n ALA 91 Cb 0.47 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2iyk n ALA 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2iyk n ASP 92 N -2.96 0.00 -3.62 0.00 4.64 -1.25 -5.08 116.55 108.28 2iyk n ASP 92 Ca -0.31 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 52.78 2iyk n ASP 92 Cb 0.69 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.71 2iyk n ASP 92 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 2iyk n SER 93 N 0.00 4.56 -3.60 1.67 3.41 -1.26 -4.25 113.62 114.14 2iyk n SER 93 Ca 0.00 -3.43 -0.28 0.00 -0.26 0.00 0.00 58.87 54.91 2iyk n SER 93 Cb 0.00 -0.86 -0.11 0.00 -0.26 0.00 0.00 64.21 62.98 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 -2.53 1.31 0.63 -3.33 1.01 -1.26 -5.07 120.40 111.16 2iyk s VAL 94 Ca 0.37 -3.13 -0.17 0.00 0.00 0.00 0.00 61.98 59.05 2iyk s VAL 94 Cb 0.11 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2iyk s VAL 94 CO 0.02 -1.11 1.15 -0.69 0.00 0.00 0.00 175.10 174.47 2iyk s VAL 95 N -0.36 2.96 0.05 2.92 1.01 -1.26 -4.24 120.40 121.49 2iyk s VAL 95 Ca 0.28 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.84 2iyk s VAL 95 Cb -0.04 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2iyk s VAL 95 CO -0.15 -0.22 -0.20 0.54 0.00 0.00 0.00 175.10 175.08 2iyk s VAL 96 N -2.02 1.57 -0.21 2.92 0.11 -0.79 -4.99 120.40 117.00 2iyk s VAL 96 Ca 0.71 -1.21 -0.07 0.00 -2.93 0.00 0.00 61.98 58.49 2iyk s VAL 96 Cb -0.24 -1.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.19 2iyk s VAL 96 CO 0.37 0.13 0.05 -0.76 -3.33 0.00 0.00 175.10 171.56 2iyk s LEU 97 N -1.27 3.50 0.02 2.54 1.43 -1.26 -0.73 118.68 122.91 2iyk s LEU 97 Ca 0.06 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2iyk s LEU 97 Cb -0.09 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 2iyk s LEU 97 CO 0.02 0.06 -0.04 -0.76 0.23 0.00 0.00 176.35 175.87 2iyk s LEU 98 N 1.03 2.24 0.34 1.79 1.43 -0.42 -0.31 118.68 124.78 2iyk s LEU 98 Ca 0.03 -0.50 -0.28 0.00 -1.03 0.00 0.00 54.13 52.35 2iyk s LEU 98 Cb -0.14 0.06 -0.12 0.00 0.03 0.00 0.00 46.19 46.02 2iyk s LEU 98 CO 0.03 -0.28 1.30 0.00 0.23 0.00 0.00 176.35 177.62 2iyk h ARG 100 N 2.62 0.37 -3.76 0.00 2.43 -1.68 -0.65 114.38 113.71 2iyk h ARG 100 Ca -0.46 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 58.45 2iyk h ARG 100 Cb 1.28 -0.08 -0.28 0.00 -0.42 0.00 0.00 29.97 30.47 2iyk h ARG 100 CO 0.63 0.24 -0.72 -0.65 -1.51 0.00 0.00 179.97 177.96 2iyk s GLN 101 N -6.08 0.03 0.00 0.20 -1.52 -1.26 -3.78 119.66 107.25 2iyk s GLN 101 Ca -0.13 -0.01 0.26 0.00 -1.95 0.00 0.00 55.36 53.54 2iyk s GLN 101 Cb 0.18 -0.03 0.71 0.00 -0.22 0.00 0.00 33.01 33.65 2iyk s GLN 101 CO 0.75 0.01 1.55 -0.35 -0.25 0.00 0.00 175.29 176.99 2iyk n PRO 102 N 3.08 1.75 0.16 2.91 -0.04 -1.26 -4.89 135.00 136.71 2iyk n PRO 102 Ca -0.12 -1.20 0.03 0.00 -0.04 0.00 0.00 63.50 62.17 2iyk n PRO 102 Cb 0.60 -1.48 0.26 0.00 -0.04 0.00 0.00 33.50 32.84 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 -2.34 3.91 -2.26 0.00 0.00 -0.25 -4.49 120.51 115.07 2iyk n ALA 104 Ca -0.01 -2.15 -0.31 0.00 0.00 0.00 0.00 53.44 50.98 2iyk n ALA 104 Cb 0.56 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 2iyk n ALA 104 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2iyk s SER 105 N -1.13 6.57 0.46 0.00 1.04 -0.99 -4.75 113.70 114.89 2iyk s SER 105 Ca 0.52 1.07 0.31 0.00 0.48 0.00 0.00 55.95 58.33 2iyk s SER 105 Cb 0.41 -2.29 1.62 0.00 0.10 0.00 0.00 66.02 65.86 2iyk s SER 105 CO 0.13 -0.29 1.94 -0.61 0.98 0.00 0.00 173.24 175.40 2iyk h GLN 106 N 1.69 0.00 -0.19 4.02 5.75 -1.93 0.11 115.11 124.56 2iyk h GLN 106 Ca -0.47 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 57.91 2iyk h GLN 106 Cb 1.18 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.73 2iyk h GLN 106 CO 0.65 0.00 -0.35 0.77 -2.65 0.00 0.00 178.83 177.25 2iyk h SER 107 N 0.00 0.63 0.10 -0.69 0.02 -1.93 -2.34 113.55 109.34 2iyk h SER 107 Ca 0.00 -0.55 -0.13 0.00 -0.84 0.00 0.00 61.79 60.27 2iyk h SER 107 Cb 0.08 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.45 2iyk h SER 107 CO 0.00 1.06 -0.60 0.28 -1.14 0.00 0.00 176.83 176.43 2iyk h SER 108 N 0.23 0.32 0.57 3.07 0.02 -1.55 -3.38 113.55 112.83 2iyk h SER 108 Ca 0.01 -0.96 -0.24 0.00 -0.84 0.00 0.00 61.79 59.76 2iyk h SER 108 Cb 0.95 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.38 2iyk h SER 108 CO 0.08 1.29 -1.05 -0.07 -1.14 0.00 0.00 176.83 175.93 2iyk h LEU 109 N -0.57 0.38 0.27 5.07 3.38 -0.98 -3.47 115.31 119.39 2iyk h LEU 109 Ca -0.11 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 2iyk h LEU 109 Cb 1.45 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 2iyk h LEU 109 CO 0.10 1.21 -0.08 0.29 0.09 0.00 0.00 178.44 180.04 2iyk n LYS 110 N -3.61 -1.82 -2.13 1.13 5.02 -0.88 -0.90 118.16 114.97 2iyk n LYS 110 Ca -0.06 0.53 -0.20 0.00 -2.02 0.00 0.00 58.31 56.56 2iyk n LYS 110 Cb 0.91 -4.63 -0.03 0.00 -0.02 0.00 0.00 35.03 31.26 2iyk n LYS 110 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2iyk n ASP 111 N -0.25 -5.58 0.02 4.39 10.43 -1.26 -4.94 116.55 119.37 2iyk n ASP 111 Ca -0.04 0.14 -0.13 0.00 2.57 0.00 0.00 54.79 57.33 2iyk n ASP 111 Cb 0.42 -4.67 -0.09 0.00 1.84 0.00 0.00 41.12 38.61 2iyk n ASP 111 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 2iyk h ILE 112 N 0.00 1.21 0.00 0.53 2.04 -1.40 -3.43 117.51 116.46 2iyk h ILE 112 Ca -0.45 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.27 2iyk h ILE 112 Cb 1.33 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 2iyk h ILE 112 CO 0.57 0.28 -0.64 0.59 0.00 0.00 0.00 178.15 178.95 2iyk n ASN 113 N -4.89 3.18 -4.11 1.72 3.02 -1.26 -5.09 115.26 107.83 2iyk n ASN 113 Ca -0.08 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.27 2iyk n ASN 113 Cb 0.27 0.36 -0.14 0.00 -0.61 0.00 0.00 39.78 39.66 2iyk n ASN 113 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2iyk s TRP 114 N -1.59 1.09 -0.58 3.10 0.52 -1.26 -4.95 118.94 115.27 2iyk s TRP 114 Ca 0.00 -0.31 -0.21 0.00 0.02 0.00 0.00 56.10 55.60 2iyk s TRP 114 Cb 0.00 -0.66 0.07 0.00 -1.15 0.00 0.00 33.47 31.73 2iyk s TRP 114 CO 0.00 0.01 0.79 0.34 0.02 0.00 0.00 176.95 178.11 2iyk s ASP 115 N -0.89 6.21 0.29 2.95 2.15 -1.26 -4.08 116.67 122.04 2iyk s ASP 115 Ca 0.01 -1.00 0.01 0.00 0.43 0.00 0.00 52.55 52.00 2iyk s ASP 115 Cb -0.07 -2.35 0.53 0.00 -0.30 0.00 0.00 42.92 40.73 2iyk s ASP 115 CO 0.01 -1.17 1.87 0.77 -0.17 0.00 0.00 175.17 176.47 2iyk h SER 116 N 9.27 0.94 0.00 -0.34 4.64 -1.91 -1.55 113.55 124.59 2iyk h SER 116 Ca -0.28 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2iyk h SER 116 Cb 1.08 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2iyk h SER 116 CO 1.09 0.55 0.00 -1.54 -0.87 0.00 0.00 176.83 176.06 2iyk n SER 117 N -4.55 0.00 -1.01 4.97 3.41 -1.26 -1.94 113.62 113.23 2iyk n SER 117 Ca 0.17 0.16 0.10 0.00 -0.26 0.00 0.00 58.87 59.04 2iyk n SER 117 Cb 0.28 -0.16 0.21 0.00 -0.26 0.00 0.00 64.21 64.28 2iyk n SER 117 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2iyk n GLN 118 N -1.16 2.42 -2.39 4.33 -0.06 -0.58 -4.99 117.38 114.95 2iyk n GLN 118 Ca 0.00 -2.20 -0.37 0.00 -2.00 0.00 0.00 57.00 52.42 2iyk n GLN 118 Cb 0.00 -1.44 -0.03 0.00 -4.06 0.00 0.00 30.24 24.71 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 -1.21 3.13 -0.13 3.69 -0.00 -0.82 -4.49 118.94 119.10 2iyk s TRP 119 Ca 0.35 1.59 -0.11 0.00 -0.00 0.00 0.00 56.10 57.93 2iyk s TRP 119 Cb 0.20 -3.29 0.04 0.00 -0.00 0.00 0.00 33.47 30.41 2iyk s TRP 119 CO 0.27 -1.07 0.34 -0.65 -0.00 0.00 0.00 176.95 175.84 2iyk s GLN 120 N -2.40 0.37 0.73 5.86 -0.21 -0.95 -4.96 119.66 118.11 2iyk s GLN 120 Ca 0.58 0.52 -0.16 0.00 0.02 0.00 0.00 55.36 56.33 2iyk s GLN 120 Cb -0.27 0.13 0.04 0.00 1.00 0.00 0.00 33.01 33.90 2iyk s GLN 120 CO 0.34 -0.08 1.25 -2.14 -2.12 0.00 0.00 175.29 172.55 2iyk s PRO 121 N 0.48 2.05 0.18 2.91 0.02 -1.26 -0.49 135.00 138.88 2iyk s PRO 121 Ca -0.02 1.92 0.04 0.00 0.02 0.00 0.00 61.00 62.95 2iyk s PRO 121 Cb -0.04 -1.80 0.05 0.00 0.02 0.00 0.00 34.50 32.73 2iyk s PRO 121 CO -0.02 -1.95 1.42 -0.07 -0.33 0.00 0.00 177.00 176.05 2iyk h LEU 122 N -0.22 0.23 -8.63 -5.54 3.38 -1.60 -3.43 115.31 99.50 2iyk h LEU 122 Ca -0.49 -0.18 -0.65 0.00 0.09 0.00 0.00 57.88 56.66 2iyk h LEU 122 Cb 1.32 -0.07 -0.22 0.00 0.09 0.00 0.00 40.66 41.77 2iyk h LEU 122 CO 0.49 0.95 -0.61 -0.63 0.09 0.00 0.00 178.44 178.73 2iyk s ILE 123 N -3.30 4.37 0.01 1.22 1.01 -1.26 -2.23 121.20 121.03 2iyk s ILE 123 Ca -0.03 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2iyk s ILE 123 Cb 0.11 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 2iyk s ILE 123 CO 0.82 0.29 -0.06 -1.10 0.00 0.00 0.00 174.94 174.88 2iyk s GLN 124 N 1.62 0.48 -1.35 2.79 -0.21 -0.09 -4.84 119.66 118.05 2iyk s GLN 124 Ca 0.06 -0.39 -0.03 0.00 0.02 0.00 0.00 55.36 55.02 2iyk s GLN 124 Cb -0.15 -0.39 0.00 0.00 1.00 0.00 0.00 33.01 33.47 2iyk s GLN 124 CO 0.04 0.10 0.38 -3.47 -2.12 0.00 0.00 175.29 170.22 2iyk n ASP 125 N 2.43 -5.31 -3.78 5.90 2.03 -1.26 -1.96 116.55 114.59 2iyk n ASP 125 Ca -0.16 -0.18 -0.27 0.00 0.52 0.00 0.00 54.79 54.70 2iyk n ASP 125 Cb 0.57 -4.21 0.04 0.00 -0.72 0.00 0.00 41.12 36.80 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 -3.27 -6.16 -3.76 -0.67 1.74 -1.26 -4.80 116.66 98.47 2iyk n ARG 126 Ca -0.12 0.67 -0.03 0.00 -0.77 0.00 0.00 57.85 57.60 2iyk n ARG 126 Cb 0.62 -5.57 -0.01 0.00 -1.02 0.00 0.00 32.46 26.48 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 -3.00 3.23 0.30 0.00 0.40 -1.26 -0.91 117.98 116.74 2iyk s PHE 128 Ca 0.14 1.55 -0.29 0.00 -0.60 0.00 0.00 56.93 57.72 2iyk s PHE 128 Cb -0.01 -2.91 -0.11 0.00 0.51 0.00 0.00 43.02 40.51 2iyk s PHE 128 CO 0.02 -0.50 1.52 -0.51 0.70 0.00 0.00 175.22 176.46 2iyk s LEU 129 N -3.70 4.35 0.46 -0.37 1.43 -0.95 -4.79 118.68 115.12 2iyk s LEU 129 Ca 0.63 2.90 0.20 0.00 -1.03 0.00 0.00 54.13 56.82 2iyk s LEU 129 Cb -0.12 -3.64 1.18 0.00 0.03 0.00 0.00 46.19 43.64 2iyk s LEU 129 CO 0.23 -0.84 1.94 0.28 0.23 0.00 0.00 176.35 178.19 2iyk h SER 130 N 4.40 0.25 1.40 2.29 0.02 -1.95 0.84 113.55 120.81 2iyk h SER 130 Ca -0.48 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2iyk h SER 130 Cb 1.22 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2iyk h SER 130 CO 0.75 0.13 0.00 4.11 -1.14 0.00 0.00 176.83 180.68 2iyk h TRP 131 N 0.26 0.00 0.00 3.45 5.08 -1.99 -2.73 115.95 120.03 2iyk h TRP 131 Ca 0.34 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.31 2iyk h TRP 131 Cb 0.96 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.12 2iyk h TRP 131 CO -0.00 0.00 -0.03 -0.07 -1.28 0.00 0.00 178.44 177.06 2iyk h LEU 132 N 0.00 0.00 -7.41 0.11 3.38 -1.22 -3.45 115.31 106.72 2iyk h LEU 132 Ca 0.00 -0.51 -0.51 0.00 0.09 0.00 0.00 57.88 56.95 2iyk h LEU 132 Cb 0.70 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.06 2iyk h LEU 132 CO 0.00 0.77 -0.77 -0.69 0.09 0.00 0.00 178.44 177.84 2iyk s VAL 133 N -1.91 0.66 0.53 1.22 1.01 -0.88 -4.57 120.40 116.46 2iyk s VAL 133 Ca -0.10 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 2iyk s VAL 133 Cb -0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 2iyk s VAL 133 CO 0.36 -0.02 1.34 0.29 0.00 0.00 0.00 175.10 177.06 2iyk n LYS 134 N 5.02 1.71 -3.05 2.72 5.02 -0.63 -4.13 118.16 124.82 2iyk n LYS 134 Ca -0.09 0.63 -0.41 0.00 -2.02 0.00 0.00 58.31 56.42 2iyk n LYS 134 Cb 0.48 -2.54 -0.05 0.00 -0.02 0.00 0.00 35.03 32.89 2iyk n LYS 134 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2iyk s ILE 135 N -1.28 4.97 0.42 -0.18 1.01 -1.26 -4.28 121.20 120.60 2iyk s ILE 135 Ca 0.70 1.32 -0.24 0.00 0.00 0.00 0.00 60.65 62.43 2iyk s ILE 135 Cb -0.43 -4.00 -0.11 0.00 0.01 0.00 0.00 42.46 37.94 2iyk s ILE 135 CO 0.50 0.07 1.00 -2.65 0.00 0.00 0.00 174.94 173.87 2iyk n PRO 136 N 5.18 1.32 -1.70 2.79 -0.02 -1.26 -4.95 135.00 136.37 2iyk n PRO 136 Ca 0.01 0.48 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 2iyk n PRO 136 Cb 0.49 -2.03 0.06 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.75 4.85 0.25 2.55 1.04 -1.26 -4.81 113.70 115.57 2iyk s SER 137 Ca 0.63 2.15 -0.11 0.00 0.48 0.00 0.00 55.95 59.11 2iyk s SER 137 Cb -0.56 -2.57 0.36 0.00 0.10 0.00 0.00 66.02 63.36 2iyk s SER 137 CO 0.57 -1.81 1.46 1.21 0.98 0.00 0.00 173.24 175.65 2iyk n GLU 138 N -2.40 -0.13 0.14 4.02 4.07 -1.26 -1.09 120.64 123.99 2iyk n GLU 138 Ca 0.12 1.45 0.06 0.00 -0.06 0.00 0.00 57.16 58.73 2iyk n GLU 138 Cb 0.51 -2.17 0.05 0.00 -0.06 0.00 0.00 31.44 29.77 2iyk n GLU 138 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 2iyk h GLN 139 N 0.00 0.00 0.00 5.31 3.07 -2.00 -2.99 115.11 118.51 2iyk h GLN 139 Ca 0.41 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 59.01 2iyk h GLN 139 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.18 2iyk h GLN 139 CO -0.95 0.27 -0.64 1.49 0.09 0.00 0.00 178.83 179.08 2iyk h GLU 140 N 0.00 0.00 0.00 0.06 4.81 -1.71 -2.81 114.58 114.93 2iyk h GLU 140 Ca -0.03 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2iyk h GLU 140 Cb 1.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 2iyk h GLU 140 CO 0.04 0.64 -0.51 1.96 -0.73 0.00 0.00 179.01 180.40 2iyk h GLN 141 N 0.00 0.00 -0.00 1.92 4.20 -1.09 -3.19 115.11 116.94 2iyk h GLN 141 Ca -0.01 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 2iyk h GLN 141 Cb 1.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 2iyk h GLN 141 CO 0.08 0.51 -0.83 -0.07 -0.67 0.00 0.00 178.83 177.86 2iyk h LEU 142 N 0.00 0.12 -0.88 1.46 3.38 -1.42 -3.25 115.31 114.72 2iyk h LEU 142 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2iyk h LEU 142 Cb 1.15 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2iyk h LEU 142 CO 0.07 0.89 -0.06 0.03 0.09 0.00 0.00 178.44 179.46 2iyk h ARG 143 N 0.05 0.00 -7.66 1.13 3.08 -1.49 -3.46 114.38 106.03 2iyk h ARG 143 Ca -0.02 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.58 2iyk h ARG 143 Cb 1.45 0.00 0.15 0.00 0.08 0.00 0.00 29.97 31.65 2iyk h ARG 143 CO 0.12 0.06 0.35 0.00 -1.07 0.00 0.00 179.97 179.42 2iyk s ALA 144 N -3.49 1.94 -0.00 0.04 0.00 -1.22 -4.98 121.76 114.05 2iyk s ALA 144 Ca 0.03 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 2iyk s ALA 144 Cb 0.08 -2.87 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 2iyk s ALA 144 CO 0.61 -2.49 1.70 1.03 0.00 0.00 0.00 175.76 176.61 2iyk s ARG 145 N -5.65 4.18 -1.31 0.00 0.52 -0.04 -4.90 118.95 111.74 2iyk s ARG 145 Ca 0.70 2.30 -0.16 0.00 -0.52 0.00 0.00 55.73 58.04 2iyk s ARG 145 Cb -0.08 -3.91 0.08 0.00 0.52 0.00 0.00 34.95 31.57 2iyk s ARG 145 CO 0.53 -0.83 1.77 1.04 0.02 0.00 0.00 175.30 177.83 2iyk n GLN 146 N 6.77 3.19 -3.35 3.54 1.13 -1.26 -4.63 117.38 122.77 2iyk n GLN 146 Ca 0.17 -3.28 -0.35 0.00 -1.94 0.00 0.00 57.00 51.61 2iyk n GLN 146 Cb 0.42 -3.38 -0.06 0.00 0.11 0.00 0.00 30.24 27.33 2iyk n GLN 146 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 2iyk s ILE 147 N 3.54 4.85 0.47 5.09 2.07 -1.26 -5.03 121.20 130.93 2iyk s ILE 147 Ca 0.51 0.79 0.08 0.00 -1.41 0.00 0.00 60.65 60.62 2iyk s ILE 147 Cb 0.05 -3.72 0.03 0.00 0.13 0.00 0.00 42.46 38.95 2iyk s ILE 147 CO 0.04 0.18 0.60 0.42 -1.91 0.00 0.00 174.94 174.27 2iyk s THR 148 N -1.54 2.63 0.45 4.00 -4.23 -1.26 -4.02 115.64 111.68 2iyk s THR 148 Ca 0.40 -1.07 0.18 0.00 -1.18 0.00 0.00 61.69 60.02 2iyk s THR 148 Cb -0.14 -2.70 0.22 0.00 1.34 0.00 0.00 72.50 71.21 2iyk s THR 148 CO 0.19 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.31 2iyk h ALA 149 N 0.56 1.62 0.09 3.99 0.00 -1.99 -2.66 119.26 120.87 2iyk h ALA 149 Ca -0.37 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.14 2iyk h ALA 149 Cb 1.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2iyk h ALA 149 CO 0.46 0.19 -1.20 1.96 0.00 0.00 0.00 179.25 180.66 2iyk h GLN 150 N 0.00 0.19 -0.33 0.00 4.20 -1.99 -2.95 115.11 114.23 2iyk h GLN 150 Ca -0.00 -0.33 -0.11 0.00 0.06 0.00 0.00 58.65 58.27 2iyk h GLN 150 Cb 0.29 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2iyk h GLN 150 CO 0.02 1.15 -0.25 1.96 -0.67 0.00 0.00 178.83 181.03 2iyk h GLN 151 N 0.05 0.66 0.21 1.46 4.20 -1.93 -2.44 115.11 117.32 2iyk h GLN 151 Ca -0.11 -0.27 0.01 0.00 0.06 0.00 0.00 58.65 58.35 2iyk h GLN 151 Cb 1.92 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.64 2iyk h GLN 151 CO 0.18 0.85 -0.37 0.82 -0.67 0.00 0.00 178.83 179.64 2iyk h ILE 152 N 0.57 0.24 -0.68 2.54 1.08 -1.51 0.17 117.51 119.93 2iyk h ILE 152 Ca 0.08 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.64 2iyk h ILE 152 Cb 0.74 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 2iyk h ILE 152 CO 0.06 0.00 0.45 0.78 -0.69 0.00 0.00 178.15 178.75 2iyk h ASN 153 N -0.65 0.52 0.06 1.72 -0.26 -1.40 0.19 115.58 115.75 2iyk h ASN 153 Ca 0.01 0.01 -0.24 0.00 -0.56 0.00 0.00 56.30 55.51 2iyk h ASN 153 Cb 0.64 -0.10 0.02 0.00 -1.06 0.00 0.00 38.32 37.83 2iyk h ASN 153 CO -0.16 0.32 -0.99 0.50 -1.06 0.00 0.00 177.43 176.04 2iyk h LYS 154 N 0.58 0.56 -0.80 0.81 3.64 -1.20 -2.79 116.57 117.36 2iyk h LYS 154 Ca 0.31 -0.69 -0.03 0.00 -1.27 0.00 0.00 60.65 58.97 2iyk h LYS 154 Cb 0.44 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 2iyk h LYS 154 CO -0.10 1.29 0.39 1.25 -2.27 0.00 0.00 179.45 180.01 2iyk h LEU 155 N 0.15 1.04 -0.57 5.20 5.85 0.25 0.11 115.31 127.33 2iyk h LEU 155 Ca -0.14 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 2iyk h LEU 155 Cb 1.68 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 2iyk h LEU 155 CO 0.19 0.87 0.23 -0.08 -0.34 0.00 0.00 178.44 179.31 2iyk h GLU 156 N 1.14 0.85 -0.31 1.25 4.57 -0.73 -1.60 114.58 119.76 2iyk h GLU 156 Ca 0.28 -0.15 -0.18 0.00 -1.18 0.00 0.00 59.36 58.13 2iyk h GLU 156 Cb 0.10 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2iyk h GLU 156 CO -0.04 0.73 -0.50 1.49 -1.18 0.00 0.00 179.01 179.52 2iyk h GLU 157 N 0.78 0.88 -0.10 1.92 4.81 -1.18 -2.17 114.58 119.53 2iyk h GLU 157 Ca 0.19 -0.54 0.03 0.00 -0.13 0.00 0.00 59.36 58.91 2iyk h GLU 157 Cb 0.20 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2iyk h GLU 157 CO -0.02 1.18 0.10 1.25 -0.73 0.00 0.00 179.01 180.79 2iyk h LEU 158 N 0.67 0.00 0.00 1.64 6.46 -0.63 -2.62 115.31 120.83 2iyk h LEU 158 Ca 0.02 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 2iyk h LEU 158 Cb 1.11 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.04 2iyk h LEU 158 CO 0.11 0.00 -0.09 -0.50 -0.62 0.00 0.00 178.44 177.34 2iyk h TRP 159 N 0.00 0.02 0.00 1.25 6.55 -0.96 -3.33 115.95 119.48 2iyk h TRP 159 Ca 0.05 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.87 2iyk h TRP 159 Cb 0.24 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.54 2iyk h TRP 159 CO 0.00 1.04 0.00 1.63 -1.05 0.00 0.00 178.44 180.06 2iyk n LYS 160 N -4.58 0.01 0.23 0.49 5.02 -0.84 -0.36 118.16 118.12 2iyk n LYS 160 Ca -0.11 0.40 0.07 0.00 -2.02 0.00 0.00 58.31 56.64 2iyk n LYS 160 Cb 0.50 -1.50 0.55 0.00 -0.02 0.00 0.00 35.03 34.56 2iyk n LYS 160 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2iyk h GLU 161 N 0.00 0.00 -0.03 1.97 4.39 -1.58 -3.51 114.58 115.82 2iyk h GLU 161 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2iyk h GLU 161 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2iyk h GLU 161 CO 0.00 0.18 0.00 0.09 -1.16 0.00 0.00 179.01 178.12