#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t35 s THR 3 N 0.00 0.54 -0.08 3.15 -4.23 -1.26 0.29 115.64 114.05 1t35 s THR 3 Ca 0.00 -0.19 0.04 0.00 -1.18 0.00 0.00 61.69 60.36 1t35 s THR 3 Cb 0.00 -0.52 -0.00 0.00 1.34 0.00 0.00 72.50 73.32 1t35 s THR 3 CO 0.00 0.20 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.42 1t35 s ILE 4 N 0.49 1.89 -0.17 2.99 1.01 0.18 0.12 121.20 127.71 1t35 s ILE 4 Ca -0.06 -0.94 -0.24 0.00 0.00 0.00 0.00 60.65 59.41 1t35 s ILE 4 Cb -0.10 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 1t35 s ILE 4 CO 0.00 0.53 0.75 0.00 0.00 0.00 0.00 174.94 176.22 1t35 s VAL 6 N 1.91 1.77 -0.03 0.00 1.01 -1.04 -0.95 120.40 123.06 1t35 s VAL 6 Ca 0.35 -1.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 1t35 s VAL 6 Cb -0.16 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1t35 s VAL 6 CO 0.12 0.40 0.18 0.72 0.00 0.00 0.00 175.10 176.52 1t35 s PHE 7 N -0.63 -0.09 0.36 5.22 -0.12 -1.00 -4.75 117.98 116.97 1t35 s PHE 7 Ca 0.09 0.18 -0.10 0.00 -0.05 0.00 0.00 56.93 57.05 1t35 s PHE 7 Cb -0.09 0.02 0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1t35 s PHE 7 CO 0.00 -0.21 0.66 0.00 -0.05 0.00 0.00 175.22 175.62 1t35 n ALA 8 N 2.11 -1.25 -1.77 1.99 0.00 -1.26 -4.48 120.51 115.85 1t35 n ALA 8 Ca -0.18 -1.31 -0.37 0.00 0.00 0.00 0.00 53.44 51.58 1t35 n ALA 8 Cb 0.57 1.05 0.00 0.00 0.00 0.00 0.00 19.45 21.07 1t35 n ALA 8 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1t35 s GLY 9 N -2.99 2.81 0.00 0.00 0.00 0.14 -4.76 107.32 102.51 1t35 s GLY 9 Ca 0.19 1.02 0.29 0.00 0.00 0.00 0.00 44.72 46.22 1t35 s GLY 9 CO 0.14 1.50 1.91 1.44 0.00 0.00 0.00 173.10 178.09 1t35 n SER 10 N -0.56 0.03 -4.54 1.64 7.64 -1.26 -2.61 113.62 113.96 1t35 n SER 10 Ca 0.08 0.39 -0.34 0.00 1.01 0.00 0.00 58.87 60.01 1t35 n SER 10 Cb 0.47 -0.43 -0.12 0.00 -1.01 0.00 0.00 64.21 63.12 1t35 n SER 10 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1t35 s ASN 11 N -2.96 4.84 0.53 6.43 0.01 -1.26 -2.65 114.94 119.88 1t35 s ASN 11 Ca 0.15 -0.07 0.28 0.00 -0.71 0.00 0.00 52.86 52.52 1t35 s ASN 11 Cb 0.19 -1.63 1.55 0.00 0.41 0.00 0.00 41.25 41.77 1t35 s ASN 11 CO 0.53 0.24 1.85 1.55 -1.51 0.00 0.00 177.10 179.76 1t35 h PRO 12 N 6.21 0.00 0.00 -0.60 0.13 -1.91 -3.41 132.00 132.42 1t35 h PRO 12 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1t35 h PRO 12 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1t35 h PRO 12 CO 0.60 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.78 1t35 n GLY 13 N -1.21 -1.23 0.05 1.56 0.00 -1.26 -4.42 105.19 98.68 1t35 n GLY 13 Ca -0.02 -1.57 -0.01 0.00 0.00 0.00 0.00 46.02 44.43 1t35 n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1t35 h GLY 14 N 0.00 -0.03 -2.71 -0.02 0.00 -2.06 -3.46 103.07 94.79 1t35 h GLY 14 Ca 0.00 0.01 -0.52 0.00 0.00 0.00 0.00 47.33 46.82 1t35 h GLY 14 CO 0.00 -0.01 0.53 0.21 0.00 0.00 0.00 176.54 177.26 1t35 s ASN 15 N -4.93 5.80 0.18 0.19 3.84 -1.26 -4.93 114.94 113.83 1t35 s ASN 15 Ca -0.00 2.47 0.25 0.00 0.21 0.00 0.00 52.86 55.79 1t35 s ASN 15 Cb 0.00 -2.61 0.90 0.00 -0.55 0.00 0.00 41.25 38.99 1t35 s ASN 15 CO 0.01 -1.18 1.76 1.21 -2.79 0.00 0.00 177.10 176.11 1t35 n GLU 16 N -0.74 0.19 -0.11 0.43 0.00 -1.26 -3.74 120.64 115.41 1t35 n GLU 16 Ca 0.09 0.25 -0.06 0.00 0.00 0.00 0.00 57.16 57.44 1t35 n GLU 16 Cb 0.47 -1.77 0.02 0.00 0.00 0.00 0.00 31.44 30.16 1t35 n GLU 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1t35 h ALA 17 N 2.50 0.43 0.23 4.31 0.00 -1.95 -1.84 119.26 122.94 1t35 h ALA 17 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1t35 h ALA 17 Cb 0.57 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1t35 h ALA 17 CO 0.00 -0.25 -0.52 1.88 0.00 0.00 0.00 179.25 180.36 1t35 h TYR 18 N 0.29 -1.47 -0.16 0.00 0.05 -1.87 0.47 116.97 114.28 1t35 h TYR 18 Ca 0.16 0.03 0.03 0.00 0.05 0.00 0.00 58.73 59.00 1t35 h TYR 18 Cb 0.13 0.61 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 1t35 h TYR 18 CO -0.14 -0.62 0.11 -0.22 -1.05 0.00 0.00 178.16 176.25 1t35 h LYS 19 N -0.82 0.10 0.28 4.88 3.64 -1.75 0.86 116.57 123.76 1t35 h LYS 19 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1t35 h LYS 19 Cb 0.79 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1t35 h LYS 19 CO -0.22 0.07 -0.14 -0.09 -2.27 0.00 0.00 179.45 176.80 1t35 h ARG 20 N 0.10 -0.37 -0.93 1.90 2.43 -0.24 -2.95 114.38 114.33 1t35 h ARG 20 Ca 0.07 0.03 0.27 0.00 -0.81 0.00 0.00 59.98 59.53 1t35 h ARG 20 Cb 0.15 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1t35 h ARG 20 CO -0.01 -0.24 0.71 0.87 -1.51 0.00 0.00 179.97 179.79 1t35 h LYS 21 N -0.52 0.00 -0.25 0.20 1.79 0.22 0.19 116.57 118.19 1t35 h LYS 21 Ca -0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1t35 h LYS 21 Cb 0.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1t35 h LYS 21 CO 0.06 0.00 0.10 0.00 -1.08 0.00 0.00 179.45 178.54 1t35 h ALA 22 N 1.45 0.33 -0.08 3.86 0.00 -0.79 -1.96 119.26 122.07 1t35 h ALA 22 Ca 0.44 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1t35 h ALA 22 Cb 1.86 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1t35 h ALA 22 CO -0.00 -0.08 -0.39 0.00 0.00 0.00 0.00 179.25 178.77 1t35 h ALA 23 N 0.95 1.19 0.55 0.00 0.00 -0.48 -2.61 119.26 118.86 1t35 h ALA 23 Ca 0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1t35 h ALA 23 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1t35 h ALA 23 CO -0.01 0.56 -0.29 1.49 0.00 0.00 0.00 179.25 181.00 1t35 h GLU 24 N 0.15 -0.75 0.00 0.00 4.81 -1.01 0.10 114.58 117.88 1t35 h GLU 24 Ca 0.01 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1t35 h GLU 24 Cb 0.77 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 1t35 h GLU 24 CO 0.06 -0.50 -0.02 1.25 -0.73 0.00 0.00 179.01 179.07 1t35 h LEU 25 N -0.78 0.00 -0.05 1.64 5.85 -1.30 -1.25 115.31 119.41 1t35 h LEU 25 Ca -0.07 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1t35 h LEU 25 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1t35 h LEU 25 CO 0.10 0.02 -0.25 1.23 -0.34 0.00 0.00 178.44 179.20 1t35 h GLY 26 N 0.14 0.30 0.95 3.75 0.00 -0.98 -3.28 103.07 103.94 1t35 h GLY 26 Ca -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1t35 h GLY 26 CO 0.00 0.37 0.01 -2.08 0.00 0.00 0.00 176.54 174.84 1t35 h VAL 27 N -0.26 0.98 0.00 4.60 2.07 -0.10 -2.65 116.25 120.89 1t35 h VAL 27 Ca -0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1t35 h VAL 27 Cb 0.91 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1t35 h VAL 27 CO 0.05 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1t35 n TYR 28 N -5.08 0.00 0.00 1.57 9.36 -0.54 -1.38 117.16 121.08 1t35 n TYR 28 Ca -0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.16 1t35 n TYR 28 Cb 0.04 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1t35 n TYR 28 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1t35 n ALA 30 N 0.68 0.00 -0.31 2.98 0.00 -1.00 -0.64 120.51 122.22 1t35 n ALA 30 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1t35 n ALA 30 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 1t35 n ALA 30 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1t35 h GLU 31 N 0.00 0.87 -0.00 0.00 5.08 -1.49 0.24 114.58 119.27 1t35 h GLU 31 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1t35 h GLU 31 Cb 0.00 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1t35 h GLU 31 CO 0.00 0.57 -0.00 1.04 -1.00 0.00 0.00 179.01 179.62 1t35 n GLN 32 N -4.56 1.01 -2.81 2.33 1.13 0.19 -4.92 117.38 109.74 1t35 n GLN 32 Ca 0.17 -0.09 -0.16 0.00 -1.94 0.00 0.00 57.00 54.97 1t35 n GLN 32 Cb 0.35 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.23 1t35 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1t35 n GLY 33 N 1.05 -0.20 3.65 1.08 0.00 0.84 -5.02 105.19 106.59 1t35 n GLY 33 Ca 0.23 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1t35 n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t35 s ILE 34 N -3.01 4.98 0.54 -0.61 1.01 -1.26 -4.95 121.20 117.90 1t35 s ILE 34 Ca 0.22 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.80 1t35 s ILE 34 Cb -0.10 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 1t35 s ILE 34 CO 0.27 0.43 0.93 -0.83 0.00 0.00 0.00 174.94 175.74 1t35 s GLY 35 N 0.52 1.72 -0.12 6.18 0.00 0.15 -4.41 107.32 111.36 1t35 s GLY 35 Ca 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 44.72 44.58 1t35 s GLY 35 CO 0.00 0.07 -0.03 -2.27 0.00 0.00 0.00 173.10 170.87 1t35 s LEU 36 N -4.71 3.35 -0.09 0.66 2.96 0.01 -0.65 118.68 120.21 1t35 s LEU 36 Ca 0.53 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 1t35 s LEU 36 Cb -0.11 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.82 1t35 s LEU 36 CO 0.45 0.27 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.91 1t35 s VAL 37 N -0.23 1.43 0.29 1.68 1.01 -0.58 0.04 120.40 124.04 1t35 s VAL 37 Ca 0.04 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1t35 s VAL 37 Cb -0.13 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 35.00 1t35 s VAL 37 CO 0.02 0.42 0.58 0.00 0.00 0.00 0.00 175.10 176.13 1t35 n TYR 38 N 3.97 -2.00 0.26 5.22 4.11 -0.90 -2.51 117.16 125.31 1t35 n TYR 38 Ca -0.20 -1.36 0.16 0.00 -0.00 0.00 0.00 57.90 56.50 1t35 n TYR 38 Cb 0.52 0.68 0.60 0.00 -0.00 0.00 0.00 39.34 41.13 1t35 n TYR 38 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 1t35 h GLY 39 N 1.45 0.00 0.00 -7.48 0.00 -1.87 0.39 103.07 95.56 1t35 h GLY 39 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1t35 h GLY 39 CO 0.31 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.46 1t35 n GLY 40 N 0.18 1.05 3.75 4.60 0.00 -1.26 -4.38 105.19 109.12 1t35 n GLY 40 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1t35 n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t35 s SER 41 N -2.00 6.47 -0.11 1.61 0.15 -1.26 -4.89 113.70 113.67 1t35 s SER 41 Ca 0.00 2.84 0.15 0.00 0.70 0.00 0.00 55.95 59.64 1t35 s SER 41 Cb 0.00 -2.63 0.53 0.00 -1.71 0.00 0.00 66.02 62.22 1t35 s SER 41 CO 0.00 -0.84 1.45 0.54 1.20 0.00 0.00 173.24 175.59 1t35 n ARG 42 N 2.37 3.25 -4.45 5.44 5.12 -1.26 -3.79 116.66 123.33 1t35 n ARG 42 Ca 0.08 -2.64 -0.23 0.00 -1.93 0.00 0.00 57.85 53.14 1t35 n ARG 42 Cb 0.38 -1.71 -0.10 0.00 -1.16 0.00 0.00 32.46 29.87 1t35 n ARG 42 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1t35 s VAL 43 N -1.99 1.99 0.00 1.55 -7.23 -1.26 -4.57 120.40 108.89 1t35 s VAL 43 Ca 0.40 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1t35 s VAL 43 Cb 0.28 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.81 1t35 s VAL 43 CO 0.16 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 1t35 n GLY 44 N -0.61 0.97 1.72 2.32 0.00 -1.08 -2.04 105.19 106.46 1t35 n GLY 44 Ca -0.06 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1t35 n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t35 n LEU 45 N 0.00 0.00 0.00 0.99 4.77 -1.07 -2.12 117.00 119.57 1t35 n LEU 45 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1t35 n LEU 45 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1t35 n LEU 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1t35 n GLY 47 N 1.70 0.00 0.19 -0.72 0.00 -0.87 -0.79 105.19 104.70 1t35 n GLY 47 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1t35 n GLY 47 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1t35 h THR 48 N 0.00 0.67 -0.07 2.61 2.02 -1.70 -2.01 112.91 114.42 1t35 h THR 48 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1t35 h THR 48 Cb 0.00 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1t35 h THR 48 CO 0.00 0.00 -0.34 -0.29 0.37 0.00 0.00 175.52 175.26 1t35 h ILE 49 N -0.29 1.27 0.77 3.11 2.10 -1.16 -2.19 117.51 121.11 1t35 h ILE 49 Ca 0.02 -1.27 -0.04 0.00 1.08 0.00 0.00 64.86 64.65 1t35 h ILE 49 Cb 0.30 1.59 0.01 0.00 -1.09 0.00 0.00 36.82 37.63 1t35 h ILE 49 CO -0.08 0.37 -0.37 0.00 -1.08 0.00 0.00 178.15 177.00 1t35 h ALA 50 N 1.54 -1.04 0.00 0.18 0.00 -1.70 -2.53 119.26 115.70 1t35 h ALA 50 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1t35 h ALA 50 Cb 0.66 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1t35 h ALA 50 CO 0.05 -0.97 0.00 0.38 0.00 0.00 0.00 179.25 178.71 1t35 h ASP 51 N -1.27 0.00 0.40 0.00 3.04 -1.42 -1.50 116.42 115.67 1t35 h ASP 51 Ca -0.11 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.61 1t35 h ASP 51 Cb 0.79 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.07 1t35 h ASP 51 CO 0.17 0.00 -0.37 0.00 -2.04 0.00 0.00 179.24 177.01 1t35 h ALA 52 N 2.06 1.36 -0.22 4.15 0.00 -1.23 0.48 119.26 125.85 1t35 h ALA 52 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1t35 h ALA 52 Cb 0.38 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1t35 h ALA 52 CO 0.00 0.46 0.12 -0.89 0.00 0.00 0.00 179.25 178.94 1t35 n ILE 53 N -4.05 1.34 0.00 0.00 5.41 -0.56 -3.52 119.36 117.99 1t35 n ILE 53 Ca -0.02 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.28 1t35 n ILE 53 Cb 0.41 -0.77 0.00 0.00 -0.71 0.00 0.00 39.64 38.57 1t35 n ILE 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1t35 n GLU 55 N 0.11 0.00 -1.13 0.38 2.13 0.17 0.14 120.64 122.43 1t35 n GLU 55 Ca 0.13 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.95 1t35 n GLU 55 Cb 0.72 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.57 1t35 n GLU 55 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1t35 n ASN 56 N 0.00 2.20 -1.94 4.31 3.02 -1.23 -4.98 115.26 116.64 1t35 n ASN 56 Ca 0.00 -3.47 -0.16 0.00 -0.03 0.00 0.00 54.58 50.92 1t35 n ASN 56 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1t35 n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t35 n GLY 57 N -0.75 -0.27 1.20 7.41 0.00 -1.23 -4.66 105.19 106.89 1t35 n GLY 57 Ca 0.21 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 1t35 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t35 n GLY 58 N -1.10 1.54 3.33 -0.02 0.00 0.36 -4.99 105.19 104.32 1t35 n GLY 58 Ca -0.16 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.45 1t35 n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t35 s THR 59 N -0.33 2.16 -0.08 2.61 2.01 -1.26 -4.92 115.64 115.83 1t35 s THR 59 Ca 0.19 -1.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 1t35 s THR 59 Cb -0.01 -1.77 0.04 0.00 0.01 0.00 0.00 72.50 70.77 1t35 s THR 59 CO 0.12 0.56 0.12 0.00 -0.69 0.00 0.00 174.62 174.74 1t35 s ALA 60 N -0.64 0.02 -0.27 7.40 0.00 -1.26 -0.81 121.76 126.20 1t35 s ALA 60 Ca 0.10 0.35 -0.09 0.00 0.00 0.00 0.00 51.96 52.32 1t35 s ALA 60 Cb -0.10 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1t35 s ALA 60 CO -0.00 -0.61 0.13 0.42 0.00 0.00 0.00 175.76 175.70 1t35 s ILE 61 N 2.24 4.84 -0.32 0.00 1.09 0.11 -0.38 121.20 128.79 1t35 s ILE 61 Ca 0.04 0.01 -0.16 0.00 -1.10 0.00 0.00 60.65 59.43 1t35 s ILE 61 Cb -0.12 -3.29 -0.02 0.00 -1.06 0.00 0.00 42.46 37.97 1t35 s ILE 61 CO -0.05 0.29 0.44 -0.83 -0.10 0.00 0.00 174.94 174.68 1t35 s GLY 62 N 1.69 1.86 -0.08 6.18 0.00 0.18 -2.12 107.32 115.04 1t35 s GLY 62 Ca 0.07 -0.99 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 1t35 s GLY 62 CO 0.08 1.12 0.29 0.14 0.00 0.00 0.00 173.10 174.72 1t35 s VAL 63 N 2.20 5.26 0.33 1.40 1.01 0.14 -0.86 120.40 129.87 1t35 s VAL 63 Ca 0.16 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 1t35 s VAL 63 Cb -0.16 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1t35 s VAL 63 CO 0.12 0.56 0.59 -2.84 0.00 0.00 0.00 175.10 173.53 1t35 s PRO 65 N -0.76 3.61 0.27 2.72 0.02 -1.26 -4.27 135.00 135.33 1t35 s PRO 65 Ca 0.19 0.01 0.14 0.00 0.02 0.00 0.00 61.00 61.36 1t35 s PRO 65 Cb -0.14 -2.60 0.08 0.00 0.02 0.00 0.00 34.50 31.85 1t35 s PRO 65 CO 0.08 0.14 1.45 0.66 -0.33 0.00 0.00 177.00 179.00 1t35 h SER 66 N 1.36 0.00 -0.03 2.53 4.64 -1.59 -3.32 113.55 117.14 1t35 h SER 66 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1t35 h SER 66 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1t35 h SER 66 CO 0.65 0.56 0.02 0.61 -0.87 0.00 0.00 176.83 177.79 1t35 n GLY 67 N 1.16 2.03 3.77 -0.77 0.00 -1.26 -4.91 105.19 105.22 1t35 n GLY 67 Ca 0.02 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1t35 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t35 s LEU 68 N -0.08 4.22 0.11 0.99 1.43 -1.25 -5.04 118.68 119.06 1t35 s LEU 68 Ca 0.01 2.18 -0.03 0.00 -1.03 0.00 0.00 54.13 55.26 1t35 s LEU 68 Cb 0.01 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.14 1t35 s LEU 68 CO 0.00 -0.51 0.32 -0.36 0.23 0.00 0.00 176.35 176.03 1t35 s PHE 69 N -1.50 3.49 -0.24 0.29 0.40 -1.26 -5.00 117.98 114.16 1t35 s PHE 69 Ca 0.56 0.44 -0.29 0.00 -0.60 0.00 0.00 56.93 57.04 1t35 s PHE 69 Cb -0.26 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 1t35 s PHE 69 CO 0.33 0.49 1.85 -1.12 0.70 0.00 0.00 175.22 177.47 1t35 s SER 70 N -2.48 6.00 0.00 1.36 0.01 -1.26 -0.37 113.70 116.95 1t35 s SER 70 Ca 0.39 1.65 0.00 0.00 1.31 0.00 0.00 55.95 59.29 1t35 s SER 70 Cb -0.12 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1t35 s SER 70 CO 0.26 -1.57 0.00 0.61 0.41 0.00 0.00 173.24 172.95 1t35 n GLY 71 N 5.19 1.10 0.38 3.44 0.00 -1.26 -4.87 105.19 109.17 1t35 n GLY 71 Ca 0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.34 1t35 n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t35 n GLU 72 N 0.00 1.54 0.00 1.61 1.02 0.50 -4.51 120.64 120.79 1t35 n GLU 72 Ca 0.00 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 1t35 n GLU 72 Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1t35 n GLU 72 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1t35 n VAL 73 N -0.18 0.00 -0.27 2.62 0.24 -1.24 -4.75 118.33 114.75 1t35 n VAL 73 Ca 0.07 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.44 1t35 n VAL 73 Cb 0.37 -0.99 0.18 0.00 -1.47 0.00 0.00 33.84 31.93 1t35 n VAL 73 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1t35 h VAL 74 N 0.00 0.33 -0.41 3.34 2.07 -1.87 0.19 116.25 119.90 1t35 h VAL 74 Ca 0.00 -0.04 -0.23 0.00 0.82 0.00 0.00 66.70 67.25 1t35 h VAL 74 Cb 1.00 0.20 -0.13 0.00 -1.52 0.00 0.00 31.29 30.84 1t35 h VAL 74 CO 0.00 0.02 0.29 1.41 0.02 0.00 0.00 177.57 179.31 1t35 n HIS 75 N -5.32 1.28 -3.91 1.57 8.25 -1.26 -4.89 115.22 110.94 1t35 n HIS 75 Ca 0.15 -1.23 -0.35 0.00 -0.26 0.00 0.00 57.72 56.03 1t35 n HIS 75 Cb 0.51 -0.62 -0.08 0.00 1.12 0.00 0.00 29.99 30.93 1t35 n HIS 75 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1t35 s GLN 76 N -1.41 3.79 -0.61 -0.41 -1.52 0.68 -5.04 119.66 115.14 1t35 s GLN 76 Ca 0.24 -0.24 0.00 0.00 -1.95 0.00 0.00 55.36 53.41 1t35 s GLN 76 Cb 0.20 -3.24 0.15 0.00 -0.22 0.00 0.00 33.01 29.91 1t35 s GLN 76 CO 0.03 0.48 0.40 1.21 -0.25 0.00 0.00 175.29 177.16 1t35 s ASN 77 N -0.20 4.91 0.07 5.90 3.84 -1.26 -5.07 114.94 123.13 1t35 s ASN 77 Ca 0.09 -3.01 0.06 0.00 0.21 0.00 0.00 52.86 50.21 1t35 s ASN 77 Cb -0.12 -1.77 -0.03 0.00 -0.55 0.00 0.00 41.25 38.79 1t35 s ASN 77 CO 0.01 -0.29 -0.17 -0.76 -2.79 0.00 0.00 177.10 173.09 1t35 s LEU 78 N -0.29 2.25 0.24 3.21 1.43 -1.26 -4.90 118.68 119.36 1t35 s LEU 78 Ca 0.18 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.75 1t35 s LEU 78 Cb -0.21 -0.71 0.27 0.00 0.03 0.00 0.00 46.19 45.56 1t35 s LEU 78 CO -0.03 0.02 1.57 0.74 0.23 0.00 0.00 176.35 178.88 1t35 h THR 79 N 4.28 1.42 -1.83 5.49 2.02 -1.07 -3.46 112.91 119.76 1t35 h THR 79 Ca -0.42 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 64.67 1t35 h THR 79 Cb 1.18 2.09 -0.21 0.00 -1.74 0.00 0.00 68.15 69.47 1t35 h THR 79 CO 0.41 0.61 0.32 -0.70 0.37 0.00 0.00 175.52 176.53 1t35 s GLU 80 N -3.66 0.86 -0.12 6.66 2.12 -1.08 -4.98 118.70 118.49 1t35 s GLU 80 Ca -0.03 0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.61 1t35 s GLU 80 Cb 0.12 0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.93 1t35 s GLU 80 CO 0.79 -0.25 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.91 1t35 s LEU 81 N -0.98 1.86 -0.19 2.70 2.96 -1.26 -0.64 118.68 123.13 1t35 s LEU 81 Ca -0.06 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1t35 s LEU 81 Cb -0.01 -1.23 0.00 0.00 0.50 0.00 0.00 46.19 45.45 1t35 s LEU 81 CO 0.06 0.03 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.36 1t35 s ILE 82 N 0.98 2.71 0.04 6.68 1.01 -0.04 -4.96 121.20 127.61 1t35 s ILE 82 Ca -0.05 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 1t35 s ILE 82 Cb -0.15 -2.18 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 1t35 s ILE 82 CO -0.03 0.49 0.34 -1.61 0.00 0.00 0.00 174.94 174.14 1t35 s GLU 83 N 1.21 3.70 0.09 2.79 2.02 -1.26 -4.29 118.70 122.95 1t35 s GLU 83 Ca 0.02 0.09 -0.02 0.00 0.02 0.00 0.00 54.97 55.08 1t35 s GLU 83 Cb -0.14 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 1t35 s GLU 83 CO -0.06 0.61 0.03 0.14 0.02 0.00 0.00 175.26 176.01 1t35 s VAL 84 N -1.32 0.16 -0.26 2.63 -7.23 -1.26 -4.90 120.40 108.22 1t35 s VAL 84 Ca 0.30 -1.79 -0.09 0.00 -1.81 0.00 0.00 61.98 58.58 1t35 s VAL 84 Cb -0.14 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1t35 s VAL 84 CO 0.17 -0.73 0.12 0.20 -0.31 0.00 0.00 175.10 174.54 1t35 s ASN 85 N -2.97 5.47 0.06 4.85 0.01 -1.26 -1.44 114.94 119.65 1t35 s ASN 85 Ca 0.14 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 1t35 s ASN 85 Cb 0.07 -2.00 0.00 0.00 0.41 0.00 0.00 41.25 39.74 1t35 s ASN 85 CO -0.05 -0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.11 1t35 n GLY 86 N 4.96 0.73 1.67 0.66 0.00 -1.26 -4.20 105.19 107.75 1t35 n GLY 86 Ca -0.15 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1t35 n GLY 86 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1t35 n HIS 88 N 5.78 0.00 -0.33 1.61 -0.00 -1.26 -2.36 115.22 118.65 1t35 n HIS 88 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 1t35 n HIS 88 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 29.99 30.19 1t35 n HIS 88 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1t35 h GLU 89 N 0.00 0.91 -0.02 1.57 5.08 -1.99 0.50 114.58 120.63 1t35 h GLU 89 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1t35 h GLU 89 Cb 0.00 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1t35 h GLU 89 CO 0.00 0.60 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.52 1t35 h ARG 90 N 0.94 0.05 -0.87 2.33 2.43 -1.72 0.63 114.38 118.17 1t35 h ARG 90 Ca 0.44 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1t35 h ARG 90 Cb 0.37 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 1t35 h ARG 90 CO -0.24 0.40 0.56 0.87 -1.51 0.00 0.00 179.97 180.05 1t35 h LYS 91 N -0.31 1.15 -0.15 0.20 1.57 -1.73 -2.93 116.57 114.38 1t35 h LYS 91 Ca 0.01 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1t35 h LYS 91 Cb 0.38 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1t35 h LYS 91 CO 0.00 0.78 -0.01 0.00 -0.57 0.00 0.00 179.45 179.65 1t35 h ALA 92 N 1.44 0.20 0.00 3.86 0.00 -0.74 -2.17 119.26 121.84 1t35 h ALA 92 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1t35 h ALA 92 Cb -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1t35 h ALA 92 CO -0.07 -0.09 0.00 1.17 0.00 0.00 0.00 179.25 180.26 1t35 n LYS 93 N -4.75 0.00 0.00 0.00 3.00 0.20 -0.09 118.16 116.52 1t35 n LYS 93 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1t35 n LYS 93 Cb 0.22 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 34.06 1t35 n LYS 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1t35 n SER 95 N 0.70 0.00 -0.27 3.14 7.64 -0.82 -2.05 113.62 121.96 1t35 n SER 95 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1t35 n SER 95 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1t35 n SER 95 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1t35 h GLU 96 N 0.00 1.02 -0.00 1.43 4.81 -0.76 -2.22 114.58 118.85 1t35 h GLU 96 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1t35 h GLU 96 Cb 0.00 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1t35 h GLU 96 CO 0.00 0.74 -0.01 1.28 -0.73 0.00 0.00 179.01 180.29 1t35 n LEU 97 N -4.49 0.22 -4.70 1.64 4.77 -0.87 -4.86 117.00 108.70 1t35 n LEU 97 Ca 0.07 -0.01 -0.34 0.00 -0.03 0.00 0.00 56.01 55.69 1t35 n LEU 97 Cb 0.07 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 1t35 n LEU 97 CO 0.37 0.04 -0.30 0.00 -1.33 0.00 0.00 177.39 176.17 1t35 s ALA 98 N -2.13 3.35 -0.12 -1.18 0.00 -0.84 -4.74 121.76 116.09 1t35 s ALA 98 Ca 0.42 -0.83 0.19 0.00 0.00 0.00 0.00 51.96 51.74 1t35 s ALA 98 Cb 0.21 -1.49 -0.22 0.00 0.00 0.00 0.00 23.12 21.63 1t35 s ALA 98 CO 0.39 0.61 0.55 -0.25 0.00 0.00 0.00 175.76 177.06 1t35 n ASP 99 N 1.90 0.37 -3.27 0.00 8.00 0.12 -4.96 116.55 118.71 1t35 n ASP 99 Ca -0.17 0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.35 1t35 n ASP 99 Cb 0.53 0.98 -0.03 0.00 -0.02 0.00 0.00 41.12 42.58 1t35 n ASP 99 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1t35 s GLY 100 N -4.84 1.19 -0.03 0.44 0.00 -1.14 -4.18 107.32 98.76 1t35 s GLY 100 Ca -0.06 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.35 1t35 s GLY 100 CO 0.85 -0.84 -0.05 -1.36 0.00 0.00 0.00 173.10 171.70 1t35 s PHE 101 N -3.02 0.64 -0.02 1.90 0.08 -0.12 -1.38 117.98 116.06 1t35 s PHE 101 Ca 0.27 -0.15 0.05 0.00 0.12 0.00 0.00 56.93 57.22 1t35 s PHE 101 Cb -0.01 -0.54 -0.01 0.00 -0.57 0.00 0.00 43.02 41.89 1t35 s PHE 101 CO 0.18 -0.12 -0.17 0.42 -0.10 0.00 0.00 175.22 175.42 1t35 s ILE 102 N 0.58 1.38 0.49 0.64 1.01 -0.13 0.19 121.20 125.36 1t35 s ILE 102 Ca -0.07 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1t35 s ILE 102 Cb -0.11 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 1t35 s ILE 102 CO -0.00 0.39 0.03 -0.55 0.00 0.00 0.00 174.94 174.81 1t35 s SER 103 N -0.34 4.12 0.55 3.58 0.15 0.15 -2.39 113.70 119.51 1t35 s SER 103 Ca 0.05 -1.55 -0.16 0.00 0.70 0.00 0.00 55.95 54.99 1t35 s SER 103 Cb -0.07 0.28 -0.06 0.00 -1.71 0.00 0.00 66.02 64.46 1t35 s SER 103 CO -0.00 -0.77 1.02 -2.84 1.20 0.00 0.00 173.24 171.85 1t35 s PRO 105 N -3.87 3.64 0.00 5.44 0.02 -1.26 -1.87 135.00 137.10 1t35 s PRO 105 Ca 0.15 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.26 1t35 s PRO 105 Cb 0.03 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1t35 s PRO 105 CO 0.08 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 1t35 n GLY 106 N -1.24 -1.80 0.00 0.52 0.00 -1.26 -0.69 105.19 100.72 1t35 n GLY 106 Ca 0.08 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1t35 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t35 n GLY 107 N -0.36 2.88 0.31 -0.02 0.00 -1.26 -4.79 105.19 101.95 1t35 n GLY 107 Ca 0.00 -1.87 0.11 0.00 0.00 0.00 0.00 46.02 44.26 1t35 n GLY 107 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1t35 h PHE 108 N 0.00 0.08 -0.28 1.61 0.04 -2.02 0.24 116.94 116.60 1t35 h PHE 108 Ca 0.00 0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 1t35 h PHE 108 Cb 0.00 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1t35 h PHE 108 CO 0.00 -0.29 0.07 0.78 -0.60 0.00 0.00 178.31 178.26 1t35 h GLY 109 N 0.10 0.48 1.25 -1.45 0.00 -1.98 -1.00 103.07 100.47 1t35 h GLY 109 Ca 0.52 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 1t35 h GLY 109 CO -0.75 0.28 0.20 -0.84 0.00 0.00 0.00 176.54 175.44 1t35 h THR 110 N 0.28 1.23 -0.15 4.70 2.02 -1.04 -2.16 112.91 117.80 1t35 h THR 110 Ca 0.09 -0.79 -0.10 0.00 0.77 0.00 0.00 66.41 66.38 1t35 h THR 110 Cb 0.28 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1t35 h THR 110 CO 0.00 0.31 -0.34 1.88 0.37 0.00 0.00 175.52 177.74 1t35 h TYR 111 N 0.92 0.34 -0.48 3.16 0.05 -0.47 -1.16 116.97 119.32 1t35 h TYR 111 Ca 0.21 -0.08 -0.09 0.00 0.05 0.00 0.00 58.73 58.82 1t35 h TYR 111 Cb 0.25 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 1t35 h TYR 111 CO 0.02 0.61 -0.06 1.49 -1.05 0.00 0.00 178.16 179.16 1t35 h GLU 112 N 0.26 0.85 0.09 4.88 4.22 -0.58 0.13 114.58 124.43 1t35 h GLU 112 Ca 0.03 -0.27 -0.00 0.00 0.08 0.00 0.00 59.36 59.20 1t35 h GLU 112 Cb 0.73 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1t35 h GLU 112 CO 0.06 0.89 -0.04 0.93 -2.18 0.00 0.00 179.01 178.66 1t35 h GLU 113 N 0.78 -0.11 -0.47 1.92 5.08 -1.15 -1.22 114.58 119.40 1t35 h GLU 113 Ca 0.14 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.60 1t35 h GLU 113 Cb 0.55 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.73 1t35 h GLU 113 CO 0.03 0.32 -0.31 1.25 -1.00 0.00 0.00 179.01 179.30 1t35 h LEU 114 N -0.58 -1.04 -1.33 1.33 6.46 -1.03 0.73 115.31 119.85 1t35 h LEU 114 Ca -0.01 0.20 -0.07 0.00 -0.12 0.00 0.00 57.88 57.88 1t35 h LEU 114 Cb 0.48 0.51 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 1t35 h LEU 114 CO 0.02 -0.30 -0.27 -0.26 -0.62 0.00 0.00 178.44 177.01 1t35 h PHE 115 N -0.20 0.11 -0.44 1.25 0.04 -0.73 0.85 116.94 117.82 1t35 h PHE 115 Ca 0.20 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.93 1t35 h PHE 115 Cb 0.53 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 1t35 h PHE 115 CO -0.56 0.37 0.19 0.93 -0.60 0.00 0.00 178.31 178.64 1t35 h GLU 116 N 0.09 0.66 -0.03 1.51 4.39 0.31 0.11 114.58 121.61 1t35 h GLU 116 Ca 0.01 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1t35 h GLU 116 Cb 0.53 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1t35 h GLU 116 CO 0.04 0.59 -0.01 0.28 -1.16 0.00 0.00 179.01 178.75 1t35 h VAL 117 N 0.58 1.31 0.00 3.13 2.07 -0.59 -2.39 116.25 120.36 1t35 h VAL 117 Ca 0.15 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1t35 h VAL 117 Cb 0.17 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1t35 h VAL 117 CO -0.01 0.25 0.00 0.18 0.02 0.00 0.00 177.57 178.01 1t35 n LEU 118 N -4.86 0.58 -0.05 2.57 4.77 0.26 -1.56 117.00 118.72 1t35 n LEU 118 Ca -0.08 0.73 -0.15 0.00 -0.03 0.00 0.00 56.01 56.49 1t35 n LEU 118 Cb 0.22 -0.75 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 1t35 n LEU 118 CO 0.34 -0.83 0.47 0.00 -1.33 0.00 0.00 177.39 176.05 1t35 n TRP 120 N -4.35 0.40 0.29 0.00 7.02 -1.06 -4.60 117.44 115.14 1t35 n TRP 120 Ca -0.07 -0.38 0.18 0.00 -1.02 0.00 0.00 57.50 56.21 1t35 n TRP 120 Cb 0.50 -0.02 0.96 0.00 -2.42 0.00 0.00 31.31 30.33 1t35 n TRP 120 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1t35 h ALA 121 N 2.37 1.07 -2.08 6.99 0.00 -1.36 -3.19 119.26 123.05 1t35 h ALA 121 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1t35 h ALA 121 Cb 0.71 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.11 1t35 h ALA 121 CO 0.00 -0.07 -0.33 1.04 0.00 0.00 0.00 179.25 179.89 1t35 n GLN 122 N -2.80 3.66 -3.70 0.00 6.02 -1.26 -4.70 117.38 114.60 1t35 n GLN 122 Ca -0.02 -4.82 -0.11 0.00 -0.01 0.00 0.00 57.00 52.03 1t35 n GLN 122 Cb 0.14 -2.28 -0.12 0.00 1.02 0.00 0.00 30.24 29.00 1t35 n GLN 122 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1t35 s ILE 123 N -4.47 -0.09 0.00 5.09 -5.25 -1.21 -5.11 121.20 110.17 1t35 s ILE 123 Ca 0.47 0.13 0.00 0.00 -0.99 0.00 0.00 60.65 60.26 1t35 s ILE 123 Cb 0.27 -0.53 0.00 0.00 2.95 0.00 0.00 42.46 45.14 1t35 s ILE 123 CO -0.14 0.05 0.00 0.61 -1.79 0.00 0.00 174.94 173.67 1t35 n GLY 124 N 4.38 -0.57 0.50 6.27 0.00 -1.26 -4.77 105.19 109.73 1t35 n GLY 124 Ca -0.22 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 43.87 1t35 n GLY 124 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1t35 n ILE 125 N 0.00 1.22 0.00 -0.61 3.06 -1.26 -4.87 119.36 116.90 1t35 n ILE 125 Ca 0.00 0.26 0.00 0.00 -2.50 0.00 0.00 62.75 60.51 1t35 n ILE 125 Cb 0.00 -1.93 0.00 0.00 0.54 0.00 0.00 39.64 38.25 1t35 n ILE 125 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1t35 n HIS 126 N -3.86 0.00 -2.81 9.51 8.25 -1.26 -4.93 115.22 120.12 1t35 n HIS 126 Ca -0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.36 1t35 n HIS 126 Cb 0.26 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 1t35 n HIS 126 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1t35 n GLN 127 N -2.17 -3.14 -3.38 -0.41 6.02 -1.26 -4.99 117.38 108.04 1t35 n GLN 127 Ca 0.00 2.50 -0.22 0.00 -0.01 0.00 0.00 57.00 59.27 1t35 n GLN 127 Cb 0.00 -3.46 -0.01 0.00 1.02 0.00 0.00 30.24 27.80 1t35 n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1t35 s LYS 128 N -0.58 3.30 0.37 -1.09 1.02 -1.26 -5.05 119.74 116.44 1t35 s LYS 128 Ca -0.15 -0.57 -0.25 0.00 0.02 0.00 0.00 55.97 55.02 1t35 s LYS 128 Cb 0.01 -2.70 -0.09 0.00 -0.52 0.00 0.00 37.83 34.53 1t35 s LYS 128 CO 0.49 0.06 1.07 -1.25 -0.92 0.00 0.00 175.35 174.80 1t35 s PRO 129 N -4.30 4.26 -0.17 -1.68 0.04 -1.26 -4.91 135.00 126.98 1t35 s PRO 129 Ca 0.42 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 63.06 1t35 s PRO 129 Cb -0.10 -2.70 -0.00 0.00 0.04 0.00 0.00 34.50 31.74 1t35 s PRO 129 CO 0.34 -0.08 -0.14 0.42 0.04 0.00 0.00 177.00 177.59 1t35 s ILE 130 N -1.52 2.76 -0.04 0.56 1.01 -0.84 -0.94 121.20 122.19 1t35 s ILE 130 Ca 0.55 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.52 1t35 s ILE 130 Cb -0.25 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 1t35 s ILE 130 CO 0.32 0.50 -0.18 -0.83 0.00 0.00 0.00 174.94 174.75 1t35 s GLY 131 N 0.95 1.45 -0.43 6.18 0.00 0.50 -1.11 107.32 114.86 1t35 s GLY 131 Ca -0.02 -1.02 -0.07 0.00 0.00 0.00 0.00 44.72 43.60 1t35 s GLY 131 CO -0.02 -0.80 0.26 1.08 0.00 0.00 0.00 173.10 173.62 1t35 s LEU 132 N -0.66 5.32 -1.03 0.66 1.43 0.26 0.30 118.68 124.96 1t35 s LEU 132 Ca 0.10 -1.79 -0.24 0.00 -1.03 0.00 0.00 54.13 51.17 1t35 s LEU 132 Cb -0.11 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 1t35 s LEU 132 CO 0.00 -0.58 1.90 -0.47 0.23 0.00 0.00 176.35 177.43 1t35 s TYR 133 N 1.31 1.94 -0.67 0.29 5.04 -0.78 -2.28 117.35 122.19 1t35 s TYR 133 Ca 0.05 0.40 -0.06 0.00 -2.44 0.00 0.00 57.07 55.02 1t35 s TYR 133 Cb -0.24 -4.10 -0.12 0.00 0.35 0.00 0.00 41.96 37.86 1t35 s TYR 133 CO -0.01 -1.56 2.53 -1.71 -1.34 0.00 0.00 175.55 173.46 1t35 n ASN 134 N 13.60 5.19 0.00 4.32 5.15 -0.24 -4.37 115.26 138.91 1t35 n ASN 134 Ca 0.42 -2.32 0.00 0.00 -0.60 0.00 0.00 54.58 52.08 1t35 n ASN 134 Cb 0.47 -1.15 0.00 0.00 -0.53 0.00 0.00 39.78 38.57 1t35 n ASN 134 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1t35 n VAL 135 N 3.43 0.00 -2.66 3.44 0.31 -1.26 -1.98 118.33 119.61 1t35 n VAL 135 Ca 0.45 0.64 -0.27 0.00 -0.01 0.00 0.00 64.34 65.15 1t35 n VAL 135 Cb 0.37 -0.89 -0.02 0.00 -0.91 0.00 0.00 33.84 32.39 1t35 n VAL 135 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1t35 n ASN 136 N -1.66 4.70 -0.59 4.52 3.02 -1.26 -4.79 115.26 119.21 1t35 n ASN 136 Ca 0.00 -3.71 -0.08 0.00 -0.03 0.00 0.00 54.58 50.76 1t35 n ASN 136 Cb 0.00 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.62 1t35 n ASN 136 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t35 n GLY 137 N -0.38 0.91 0.26 7.41 0.00 -0.84 -4.90 105.19 107.66 1t35 n GLY 137 Ca 0.36 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1t35 n GLY 137 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1t35 h TYR 138 N 0.00 -0.53 0.00 1.61 3.20 -1.87 -1.07 116.97 118.31 1t35 h TYR 138 Ca -0.16 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1t35 h TYR 138 Cb 0.71 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1t35 h TYR 138 CO 0.35 -0.30 0.00 1.19 -1.64 0.00 0.00 178.16 177.76 1t35 n PHE 139 N -5.40 0.00 -0.05 -3.82 3.72 -1.26 -3.89 117.46 106.76 1t35 n PHE 139 Ca 0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.33 1t35 n PHE 139 Cb 0.31 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.79 1t35 n PHE 139 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1t35 h GLU 140 N 0.01 0.27 -5.06 -1.08 5.08 -1.58 -3.42 114.58 108.79 1t35 h GLU 140 Ca 0.00 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1t35 h GLU 140 Cb 0.08 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 29.31 1t35 h GLU 140 CO 0.00 0.29 0.32 -2.30 -1.00 0.00 0.00 179.01 176.31 1t35 n PRO 141 N -4.88 0.07 -1.98 2.33 -0.02 -1.25 -5.05 135.00 124.21 1t35 n PRO 141 Ca -0.04 -1.50 -0.01 0.00 -2.02 0.00 0.00 63.50 59.93 1t35 n PRO 141 Cb 0.09 -3.55 -0.00 0.00 -0.02 0.00 0.00 33.50 30.01 1t35 n PRO 141 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1t35 n LYS 144 N 7.98 -0.07 0.00 -0.52 4.81 -1.26 -5.06 118.16 124.03 1t35 n LYS 144 Ca 0.41 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1t35 n LYS 144 Cb 0.46 -3.61 0.00 0.00 0.02 0.00 0.00 35.03 31.90 1t35 n LYS 144 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1t35 n VAL 146 N -3.96 0.00 0.05 3.15 0.31 -1.26 -1.33 118.33 115.28 1t35 n VAL 146 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.21 1t35 n VAL 146 Cb 0.49 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.37 1t35 n VAL 146 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1t35 h LYS 147 N 0.00 -0.14 -0.09 5.55 1.57 -1.99 -0.29 116.57 121.18 1t35 h LYS 147 Ca 0.00 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1t35 h LYS 147 Cb 0.00 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1t35 h LYS 147 CO 0.00 -0.09 0.07 -0.92 -0.57 0.00 0.00 179.45 177.93 1t35 h TYR 148 N -0.14 0.04 -0.14 -1.35 3.20 -1.63 0.44 116.97 117.39 1t35 h TYR 148 Ca 0.03 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.73 1t35 h TYR 148 Cb 0.19 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 1t35 h TYR 148 CO -0.15 0.03 -0.65 1.03 -1.64 0.00 0.00 178.16 176.78 1t35 h SER 149 N 0.05 0.61 -0.21 -2.11 0.87 -1.55 -1.29 113.55 109.91 1t35 h SER 149 Ca 0.04 -0.37 -0.20 0.00 -1.23 0.00 0.00 61.79 60.03 1t35 h SER 149 Cb 0.11 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1t35 h SER 149 CO -0.00 1.10 -0.66 0.40 -0.53 0.00 0.00 176.83 177.14 1t35 h ILE 150 N 0.39 1.28 -0.71 2.23 2.04 0.27 0.20 117.51 123.21 1t35 h ILE 150 Ca -0.02 -1.85 -0.03 0.00 1.00 0.00 0.00 64.86 63.97 1t35 h ILE 150 Cb 1.22 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 1t35 h ILE 150 CO 0.12 0.59 0.32 -0.61 0.00 0.00 0.00 178.15 178.58 1t35 h GLN 151 N 0.61 1.02 -0.07 2.37 4.15 -0.09 -1.99 115.11 121.11 1t35 h GLN 151 Ca -0.02 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1t35 h GLN 151 Cb 1.28 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1t35 h GLN 151 CO 0.14 0.80 0.00 0.39 -1.93 0.00 0.00 178.83 178.23 1t35 n GLU 152 N -4.32 1.29 -1.37 1.69 -0.58 -0.50 -4.89 120.64 111.96 1t35 n GLU 152 Ca 0.07 -0.44 -0.02 0.00 -0.42 0.00 0.00 57.16 56.35 1t35 n GLU 152 Cb 0.15 -1.32 -0.01 0.00 -0.57 0.00 0.00 31.44 29.69 1t35 n GLU 152 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1t35 n GLY 153 N 0.91 0.47 0.04 0.62 0.00 -0.75 -4.94 105.19 101.55 1t35 n GLY 153 Ca 0.14 -0.92 0.05 0.00 0.00 0.00 0.00 46.02 45.29 1t35 n GLY 153 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t35 n PHE 154 N -3.26 0.10 -4.58 1.61 3.72 0.70 -4.97 117.46 110.78 1t35 n PHE 154 Ca -0.02 0.03 -0.27 0.00 -0.05 0.00 0.00 57.45 57.14 1t35 n PHE 154 Cb 0.21 -0.69 -0.10 0.00 -0.94 0.00 0.00 39.48 37.96 1t35 n PHE 154 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1t35 s SER 155 N -4.90 3.35 0.08 4.37 0.01 -1.10 -4.98 113.70 110.54 1t35 s SER 155 Ca -0.08 -1.44 0.05 0.00 1.31 0.00 0.00 55.95 55.79 1t35 s SER 155 Cb 0.11 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 1t35 s SER 155 CO 0.88 -0.60 -0.02 0.20 0.41 0.00 0.00 173.24 174.10 1t35 s ASN 156 N -3.66 4.91 0.30 2.44 0.01 -1.26 -4.53 114.94 113.15 1t35 s ASN 156 Ca 0.30 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 52.26 1t35 s ASN 156 Cb 0.08 -1.14 0.53 0.00 0.41 0.00 0.00 41.25 41.13 1t35 s ASN 156 CO 0.15 0.19 1.90 -0.33 -1.51 0.00 0.00 177.10 177.50 1t35 h GLU 157 N 3.56 1.00 -1.27 -0.60 4.39 -2.00 -2.16 114.58 117.50 1t35 h GLU 157 Ca -0.48 -0.06 0.43 0.00 0.34 0.00 0.00 59.36 59.59 1t35 h GLU 157 Cb 1.17 -0.22 -0.14 0.00 -0.10 0.00 0.00 28.75 29.45 1t35 h GLU 157 CO 0.58 0.66 0.80 0.77 -1.16 0.00 0.00 179.01 180.66 1t35 h SER 158 N 1.03 0.27 -0.55 1.42 0.02 -2.02 0.15 113.55 113.85 1t35 h SER 158 Ca 0.40 0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.52 1t35 h SER 158 Cb 0.23 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1t35 h SER 158 CO -0.15 -0.21 0.35 0.45 -1.14 0.00 0.00 176.83 176.12 1t35 h HIS 159 N 0.09 0.66 -1.00 3.45 3.86 -1.81 -2.97 115.15 117.43 1t35 h HIS 159 Ca 0.82 0.02 0.20 0.00 -1.16 0.00 0.00 60.37 60.25 1t35 h HIS 159 Cb 2.50 -0.22 -0.10 0.00 1.06 0.00 0.00 27.41 30.65 1t35 h HIS 159 CO -0.01 0.40 0.61 -0.07 0.86 0.00 0.00 177.93 179.73 1t35 h LEU 160 N 0.71 0.74 0.00 2.43 3.38 -0.88 0.36 115.31 122.05 1t35 h LEU 160 Ca 0.21 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1t35 h LEU 160 Cb -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1t35 h LEU 160 CO -0.07 0.25 0.00 2.29 0.09 0.00 0.00 178.44 181.00 1t35 n LYS 161 N -4.74 0.04 -0.01 1.13 2.85 -1.12 -1.91 118.16 114.39 1t35 n LYS 161 Ca 0.23 0.30 0.10 0.00 -1.05 0.00 0.00 58.31 57.90 1t35 n LYS 161 Cb 0.60 -1.50 -0.16 0.00 -0.65 0.00 0.00 35.03 33.33 1t35 n LYS 161 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1t35 n LEU 162 N -1.45 0.13 -4.62 -5.58 0.00 0.13 -4.90 117.00 100.72 1t35 n LEU 162 Ca 0.03 -0.07 -0.38 0.00 0.00 0.00 0.00 56.01 55.59 1t35 n LEU 162 Cb 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.43 1t35 n LEU 162 CO 0.08 0.03 -0.04 -0.63 0.00 0.00 0.00 177.39 176.84 1t35 s ILE 163 N -3.39 5.25 -0.06 1.96 1.01 -0.80 -1.99 121.20 123.18 1t35 s ILE 163 Ca -0.06 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.02 1t35 s ILE 163 Cb 0.14 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 1t35 s ILE 163 CO 0.87 0.23 -0.12 -1.00 0.00 0.00 0.00 174.94 174.92 1t35 s HIS 164 N 1.73 2.79 -0.06 3.97 3.76 -0.26 -4.98 115.29 122.24 1t35 s HIS 164 Ca 0.12 -0.12 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1t35 s HIS 164 Cb -0.15 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.89 1t35 s HIS 164 CO 0.09 0.22 -0.07 0.45 -0.85 0.00 0.00 174.74 174.58 1t35 s SER 165 N -0.70 1.36 0.07 1.40 0.15 -1.26 -0.57 113.70 114.14 1t35 s SER 165 Ca 0.11 -0.20 -0.26 0.00 0.70 0.00 0.00 55.95 56.30 1t35 s SER 165 Cb -0.11 -0.61 0.08 0.00 -1.71 0.00 0.00 66.02 63.67 1t35 s SER 165 CO 0.01 -0.03 0.73 -0.55 1.20 0.00 0.00 173.24 174.59 1t35 s SER 166 N 0.91 -0.49 0.00 5.45 0.15 -0.97 -4.95 113.70 113.81 1t35 s SER 166 Ca -0.11 0.06 0.19 0.00 0.70 0.00 0.00 55.95 56.79 1t35 s SER 166 Cb -0.15 0.51 0.41 0.00 -1.71 0.00 0.00 66.02 65.08 1t35 s SER 166 CO 0.01 -0.80 1.34 -1.54 1.20 0.00 0.00 173.24 173.45 1t35 n SER 167 N -0.21 3.29 -4.44 5.45 3.41 -1.26 -1.08 113.62 118.78 1t35 n SER 167 Ca -0.14 -1.94 -0.35 0.00 -0.26 0.00 0.00 58.87 56.19 1t35 n SER 167 Cb 0.63 -0.27 -0.13 0.00 -0.26 0.00 0.00 64.21 64.19 1t35 n SER 167 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1t35 s ARG 168 N -1.22 3.60 0.23 4.33 1.81 -1.26 -4.86 118.95 121.59 1t35 s ARG 168 Ca 0.35 -0.53 -0.06 0.00 -1.72 0.00 0.00 55.73 53.76 1t35 s ARG 168 Cb 0.20 -3.03 0.39 0.00 -0.45 0.00 0.00 34.95 32.05 1t35 s ARG 168 CO 0.27 0.04 1.73 -1.35 -0.68 0.00 0.00 175.30 175.30 1t35 h PRO 169 N 7.39 0.40 -0.17 3.54 0.11 -1.94 0.47 132.00 141.80 1t35 h PRO 169 Ca -0.35 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.52 1t35 h PRO 169 Cb 1.18 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.21 1t35 h PRO 169 CO 0.61 0.26 -0.72 0.38 -0.21 0.00 0.00 178.00 178.33 1t35 h ASP 170 N 0.41 0.88 0.06 -2.05 2.03 -1.98 -2.70 116.42 113.07 1t35 h ASP 170 Ca 0.37 -0.55 -0.07 0.00 -0.73 0.00 0.00 57.03 56.06 1t35 h ASP 170 Cb 0.54 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.77 1t35 h ASP 170 CO -0.38 1.34 -0.20 -0.08 -1.03 0.00 0.00 179.24 178.88 1t35 h GLU 171 N 0.53 0.27 -0.00 4.15 4.81 -1.80 -1.55 114.58 120.99 1t35 h GLU 171 Ca -0.03 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1t35 h GLU 171 Cb 1.33 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1t35 h GLU 171 CO 0.15 0.47 -0.02 1.25 -0.73 0.00 0.00 179.01 180.13 1t35 h LEU 172 N 0.25 0.02 -1.24 1.64 6.46 -0.91 -2.54 115.31 118.99 1t35 h LEU 172 Ca 0.04 -0.72 -0.08 0.00 -0.12 0.00 0.00 57.88 57.01 1t35 h LEU 172 Cb 0.51 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1t35 h LEU 172 CO 0.03 0.73 -0.37 0.40 -0.62 0.00 0.00 178.44 178.61 1t35 h ILE 173 N -0.70 1.22 -0.42 4.05 2.04 -1.48 -2.72 117.51 119.50 1t35 h ILE 173 Ca -0.00 -1.30 -0.06 0.00 1.00 0.00 0.00 64.86 64.50 1t35 h ILE 173 Cb 0.73 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1t35 h ILE 173 CO 0.00 0.37 0.04 -0.33 0.00 0.00 0.00 178.15 178.23 1t35 h GLU 174 N 0.00 0.72 -1.14 2.37 5.08 -1.31 1.06 114.58 121.36 1t35 h GLU 174 Ca -0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1t35 h GLU 174 Cb 0.68 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1t35 h GLU 174 CO 0.05 0.78 0.00 1.04 -1.00 0.00 0.00 179.01 179.87 1t35 n GLN 175 N -4.46 0.47 0.00 2.33 6.02 -0.96 -1.14 117.38 119.65 1t35 n GLN 175 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1t35 n GLN 175 Cb 0.26 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.27 1t35 n GLN 175 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1t35 n GLN 177 N 0.58 0.00 -0.13 -1.09 -0.06 0.37 -2.72 117.38 114.32 1t35 n GLN 177 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 1t35 n GLN 177 Cb 0.19 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.37 1t35 n GLN 177 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 1t35 h ASN 178 N 0.00 0.51 0.06 1.69 -1.24 -1.34 -1.62 115.58 113.63 1t35 h ASN 178 Ca 0.00 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 56.91 1t35 h ASN 178 Cb 0.00 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 38.92 1t35 h ASN 178 CO 0.00 0.46 -0.00 0.22 -1.29 0.00 0.00 177.43 176.81 1t35 h TYR 179 N 0.51 0.00 -0.00 0.67 5.03 -1.76 -0.88 116.97 120.54 1t35 h TYR 179 Ca 0.14 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1t35 h TYR 179 Cb 0.07 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.35 1t35 h TYR 179 CO -0.02 0.00 -0.31 -1.13 -1.32 0.00 0.00 178.16 175.38 1t35 n SER 180 N -3.24 0.57 -4.85 -2.11 3.41 -0.62 -4.92 113.62 101.87 1t35 n SER 180 Ca -0.03 -0.38 -0.32 0.00 -0.26 0.00 0.00 58.87 57.88 1t35 n SER 180 Cb 0.09 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 1t35 n SER 180 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1t35 s TYR 181 N -2.78 3.40 0.66 7.33 2.02 -0.34 -5.05 117.35 122.60 1t35 s TYR 181 Ca 0.18 1.24 -0.17 0.00 -0.37 0.00 0.00 57.07 57.95 1t35 s TYR 181 Cb 0.19 -2.58 -0.00 0.00 -0.40 0.00 0.00 41.96 39.17 1t35 s TYR 181 CO 0.59 -0.05 1.24 -2.14 -1.57 0.00 0.00 175.55 173.62 1t35 s PRO 182 N -3.41 2.55 0.56 -1.71 0.02 -1.26 -5.05 135.00 126.69 1t35 s PRO 182 Ca 0.55 1.90 0.03 0.00 0.02 0.00 0.00 61.00 63.50 1t35 s PRO 182 Cb -0.10 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.60 1t35 s PRO 182 CO 0.23 -1.56 0.78 -1.50 -0.33 0.00 0.00 177.00 174.62 1t35 s ILE 183 N -1.63 2.60 0.00 2.83 2.07 -1.26 -5.16 121.20 120.64 1t35 s ILE 183 Ca 0.79 -0.74 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 1t35 s ILE 183 Cb -0.33 -2.86 0.00 0.00 0.13 0.00 0.00 42.46 39.40 1t35 s ILE 183 CO 0.39 0.00 0.29 0.18 -1.91 0.00 0.00 174.94 173.89