#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cuu n THR 18 N 0.00 0.22 -4.34 5.15 -2.24 -1.26 -4.59 114.28 107.22 1cuu n THR 18 Ca 0.00 0.05 -0.28 0.00 -2.27 0.00 0.00 64.05 61.55 1cuu n THR 18 Cb 0.00 -0.62 -0.17 0.00 -2.10 0.00 0.00 70.33 67.45 1cuu n THR 18 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cuu s THR 19 N -2.86 1.44 -0.04 4.28 2.01 -1.26 -0.54 115.64 118.67 1cuu s THR 19 Ca 0.16 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 1cuu s THR 19 Cb 0.17 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 71.38 1cuu s THR 19 CO 0.44 0.43 0.07 -0.13 -0.69 0.00 0.00 174.62 174.74 1cuu s ARG 20 N 1.12 -0.03 -0.35 4.92 1.81 -1.26 -4.98 118.95 120.17 1cuu s ARG 20 Ca -0.04 0.32 0.12 0.00 -1.72 0.00 0.00 55.73 54.41 1cuu s ARG 20 Cb -0.14 -0.34 0.45 0.00 -0.45 0.00 0.00 34.95 34.46 1cuu s ARG 20 CO -0.03 -0.24 1.06 -0.25 -0.68 0.00 0.00 175.30 175.15 1cuu n ASP 21 N 4.73 3.12 -0.34 0.23 8.00 -1.25 -1.73 116.55 129.31 1cuu n ASP 21 Ca -0.16 -3.13 0.03 0.00 0.71 0.00 0.00 54.79 52.24 1cuu n ASP 21 Cb 0.50 -0.47 0.21 0.00 -0.02 0.00 0.00 41.12 41.33 1cuu n ASP 21 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1cuu h ASP 22 N 2.69 0.98 -0.01 -2.24 3.32 -1.66 0.03 116.42 119.53 1cuu h ASP 22 Ca 0.10 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1cuu h ASP 22 Cb 1.14 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 1cuu h ASP 22 CO 0.62 0.63 -0.00 0.25 -1.72 0.00 0.00 179.24 179.02 1cuu h LEU 23 N 1.11 0.02 -0.70 1.55 5.85 -1.90 0.19 115.31 121.43 1cuu h LEU 23 Ca 0.41 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1cuu h LEU 23 Cb 0.17 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1cuu h LEU 23 CO -0.16 0.41 0.33 0.40 -0.34 0.00 0.00 178.44 179.08 1cuu h ILE 24 N -0.36 1.23 0.00 4.05 2.04 -1.87 -3.01 117.51 119.59 1cuu h ILE 24 Ca 0.00 -0.67 -0.11 0.00 1.00 0.00 0.00 64.86 65.08 1cuu h ILE 24 Cb 0.40 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1cuu h ILE 24 CO 0.00 0.28 -0.54 0.78 0.00 0.00 0.00 178.15 178.66 1cuu h ASN 25 N 0.98 0.00 -3.99 1.72 2.35 -1.02 -3.48 115.58 112.15 1cuu h ASN 25 Ca 0.24 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.43 1cuu h ASN 25 Cb 0.13 0.00 0.14 0.00 0.05 0.00 0.00 38.32 38.65 1cuu h ASN 25 CO -0.03 0.54 0.57 0.61 -1.65 0.00 0.00 177.43 177.48 1cuu n GLY 26 N 1.22 0.71 3.68 2.83 0.00 0.65 -4.99 105.19 109.29 1cuu n GLY 26 Ca 0.02 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1cuu n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cuu s ASN 27 N -0.93 6.94 0.49 1.61 -0.87 -1.26 -4.94 114.94 115.98 1cuu s ASN 27 Ca 0.72 1.15 0.15 0.00 -1.57 0.00 0.00 52.86 53.30 1cuu s ASN 27 Cb -0.42 -2.43 1.18 0.00 -0.02 0.00 0.00 41.25 39.56 1cuu s ASN 27 CO 0.49 -0.29 2.12 -1.28 -2.57 0.00 0.00 177.10 175.56 1cuu h SER 28 N 7.17 0.11 0.40 -1.22 0.87 -1.94 -1.18 113.55 117.76 1cuu h SER 28 Ca -0.33 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 1cuu h SER 28 Cb 1.16 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1cuu h SER 28 CO 0.80 0.08 -0.10 0.00 -0.53 0.00 0.00 176.83 177.08 1cuu h ALA 29 N 1.92 1.24 -2.07 6.23 0.00 -1.92 -3.25 119.26 121.42 1cuu h ALA 29 Ca 0.06 -0.09 -0.55 0.00 0.00 0.00 0.00 54.91 54.32 1cuu h ALA 29 Cb 0.06 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.44 1cuu h ALA 29 CO -0.01 0.13 -0.98 -1.13 0.00 0.00 0.00 179.25 177.26 1cuu n SER 30 N -3.56 1.56 -4.77 0.00 3.41 -0.45 -5.11 113.62 104.71 1cuu n SER 30 Ca -0.02 -3.04 -0.38 0.00 -0.26 0.00 0.00 58.87 55.17 1cuu n SER 30 Cb 0.23 -0.63 -0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1cuu n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cuu s ALA 32 N -1.40 2.58 -0.08 0.00 0.00 -1.26 -4.97 121.76 116.64 1cuu s ALA 32 Ca 0.61 -0.09 0.13 0.00 0.00 0.00 0.00 51.96 52.61 1cuu s ALA 32 Cb -0.34 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1cuu s ALA 32 CO 0.42 -1.35 1.36 -0.44 0.00 0.00 0.00 175.76 175.74 1cuu h ASP 33 N -0.81 0.00 -3.80 0.00 3.32 -1.65 -3.42 116.42 110.06 1cuu h ASP 33 Ca -0.45 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.07 1cuu h ASP 33 Cb 1.23 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.47 1cuu h ASP 33 CO 0.59 0.65 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.24 1cuu s VAL 34 N -2.89 1.27 -0.14 -1.35 1.01 -0.80 -0.79 120.40 116.71 1cuu s VAL 34 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1cuu s VAL 34 Cb 0.08 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1cuu s VAL 34 CO 0.77 0.37 -0.13 -0.63 0.00 0.00 0.00 175.10 175.48 1cuu s ILE 35 N 0.17 1.49 -0.23 2.22 1.01 -0.63 -0.65 121.20 124.58 1cuu s ILE 35 Ca -0.06 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1cuu s ILE 35 Cb -0.12 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 1cuu s ILE 35 CO 0.02 0.45 0.04 0.12 0.00 0.00 0.00 174.94 175.57 1cuu s PHE 36 N 1.49 3.07 -0.19 3.97 5.36 0.05 -1.57 117.98 130.15 1cuu s PHE 36 Ca 0.04 -0.45 -0.03 0.00 -0.96 0.00 0.00 56.93 55.54 1cuu s PHE 36 Cb -0.13 -2.18 -0.01 0.00 -0.34 0.00 0.00 43.02 40.36 1cuu s PHE 36 CO -0.10 -0.32 -0.07 0.42 -1.46 0.00 0.00 175.22 173.69 1cuu s ILE 37 N 1.40 3.27 -0.02 3.12 1.01 -0.67 -0.52 121.20 128.78 1cuu s ILE 37 Ca 0.05 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.19 1cuu s ILE 37 Cb -0.15 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 1cuu s ILE 37 CO 0.02 0.46 -0.12 -0.47 0.00 0.00 0.00 174.94 174.83 1cuu s TYR 38 N 1.14 1.16 -0.17 3.97 5.04 -0.51 -2.00 117.35 125.98 1cuu s TYR 38 Ca 0.01 -0.27 -0.03 0.00 -2.44 0.00 0.00 57.07 54.35 1cuu s TYR 38 Cb -0.14 -0.78 -0.02 0.00 0.35 0.00 0.00 41.96 41.37 1cuu s TYR 38 CO -0.02 -0.08 -0.06 0.00 -1.34 0.00 0.00 175.55 174.06 1cuu s ALA 39 N -0.04 2.86 0.91 3.97 0.00 -0.55 -1.23 121.76 127.69 1cuu s ALA 39 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 1cuu s ALA 39 Cb -0.08 -1.53 0.14 0.00 0.00 0.00 0.00 23.12 21.66 1cuu s ALA 39 CO 0.00 0.02 1.16 -0.98 0.00 0.00 0.00 175.76 175.97 1cuu s ARG 40 N 0.71 1.10 0.86 0.00 1.70 -1.26 -2.08 118.95 119.97 1cuu s ARG 40 Ca -0.03 0.17 -0.11 0.00 -0.47 0.00 0.00 55.73 55.29 1cuu s ARG 40 Cb -0.15 -1.85 0.16 0.00 -0.57 0.00 0.00 34.95 32.54 1cuu s ARG 40 CO 0.02 -2.20 1.20 0.20 -1.08 0.00 0.00 175.30 173.44 1cuu s GLY 41 N -4.20 1.75 0.39 3.88 0.00 -1.19 -2.41 107.32 105.53 1cuu s GLY 41 Ca 0.65 -1.26 -0.27 0.00 0.00 0.00 0.00 44.72 43.84 1cuu s GLY 41 CO 0.53 -0.60 1.41 -0.56 0.00 0.00 0.00 173.10 173.87 1cuu s SER 42 N -4.79 6.34 0.00 1.64 0.01 -1.26 -2.69 113.70 112.95 1cuu s SER 42 Ca 0.70 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.84 1cuu s SER 42 Cb -0.06 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1cuu s SER 42 CO 0.50 -0.86 0.00 0.41 0.41 0.00 0.00 173.24 173.70 1cuu n THR 43 N 0.35 0.00 -2.01 1.44 -1.04 0.35 -4.96 114.28 108.42 1cuu n THR 43 Ca 0.02 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.71 1cuu n THR 43 Cb 0.41 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1cuu n THR 43 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1cuu s GLU 44 N -1.31 3.50 0.59 -2.82 2.02 -1.10 -5.06 118.70 114.53 1cuu s GLU 44 Ca 0.00 0.97 -0.04 0.00 0.02 0.00 0.00 54.97 55.92 1cuu s GLU 44 Cb 0.00 -2.07 0.02 0.00 0.10 0.00 0.00 34.13 32.19 1cuu s GLU 44 CO 0.00 -0.65 0.88 0.95 0.02 0.00 0.00 175.26 176.46 1cuu s THR 45 N -2.79 3.17 0.00 3.63 -4.23 -1.26 -4.87 115.64 109.29 1cuu s THR 45 Ca 0.59 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 1cuu s THR 45 Cb -0.13 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1cuu s THR 45 CO 0.43 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 1cuu n GLY 46 N -2.56 1.67 0.00 3.99 0.00 -1.26 -1.75 105.19 105.29 1cuu n GLY 46 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1cuu n GLY 46 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cuu n ASN 47 N -1.74 1.59 -0.00 1.61 2.04 0.20 -4.69 115.26 114.27 1cuu n ASN 47 Ca 0.00 -1.59 0.01 0.00 -0.44 0.00 0.00 54.58 52.57 1cuu n ASN 47 Cb 0.00 -0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.22 1cuu n ASN 47 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1cuu n LEU 48 N -0.28 0.00 0.00 -4.53 4.77 0.30 -3.53 117.00 113.73 1cuu n LEU 48 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1cuu n LEU 48 Cb 0.15 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1cuu n LEU 48 CO 0.00 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1cuu n GLY 49 N 2.35 0.97 0.09 -0.72 0.00 -0.72 -2.15 105.19 105.01 1cuu n GLY 49 Ca -0.01 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 1cuu n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cuu h THR 50 N 0.00 1.57 0.02 2.61 1.35 -1.97 -3.38 112.91 113.10 1cuu h THR 50 Ca 0.00 -3.12 -0.34 0.00 -0.55 0.00 0.00 66.41 62.40 1cuu h THR 50 Cb 0.00 2.85 -0.05 0.00 -1.73 0.00 0.00 68.15 69.21 1cuu h THR 50 CO 0.00 0.90 -2.06 0.18 -0.25 0.00 0.00 175.52 174.29 1cuu n LEU 51 N -3.49 1.06 -0.16 3.87 4.77 -1.26 -4.61 117.00 117.18 1cuu n LEU 51 Ca -0.05 0.19 -0.03 0.00 -0.03 0.00 0.00 56.01 56.08 1cuu n LEU 51 Cb 0.97 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 42.07 1cuu n LEU 51 CO 0.51 0.55 0.73 1.23 -1.33 0.00 0.00 177.39 179.08 1cuu h GLY 52 N 3.17 0.26 0.41 -0.72 0.00 -1.61 -2.64 103.07 101.93 1cuu h GLY 52 Ca -0.43 0.23 0.13 0.00 0.00 0.00 0.00 47.33 47.26 1cuu h GLY 52 CO 0.05 -0.21 0.59 -2.55 0.00 0.00 0.00 176.54 174.42 1cuu h PRO 53 N -0.06 0.88 -0.55 4.80 0.11 -1.79 -0.50 132.00 134.89 1cuu h PRO 53 Ca 0.24 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 1cuu h PRO 53 Cb 0.43 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 1cuu h PRO 53 CO -0.56 0.58 0.14 0.77 -0.21 0.00 0.00 178.00 178.73 1cuu h SER 54 N 0.91 0.83 -0.21 -2.05 0.02 -1.75 -1.47 113.55 109.83 1cuu h SER 54 Ca 0.49 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1cuu h SER 54 Cb 0.54 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1cuu h SER 54 CO -0.29 0.84 0.05 0.40 -1.14 0.00 0.00 176.83 176.69 1cuu h ILE 55 N 0.78 1.21 -0.28 3.27 2.04 -1.21 -2.96 117.51 120.36 1cuu h ILE 55 Ca 0.17 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1cuu h ILE 55 Cb 0.33 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 1cuu h ILE 55 CO 0.00 0.21 -0.10 0.00 0.00 0.00 0.00 178.15 178.26 1cuu h ALA 56 N 0.86 0.15 -0.81 1.87 0.00 -0.88 -0.87 119.26 119.57 1cuu h ALA 56 Ca 0.06 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1cuu h ALA 56 Cb 0.28 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1cuu h ALA 56 CO 0.00 -0.50 0.49 0.77 0.00 0.00 0.00 179.25 180.01 1cuu h SER 57 N -0.04 0.74 0.15 0.00 0.02 -1.25 -0.15 113.55 113.01 1cuu h SER 57 Ca 0.14 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.99 1cuu h SER 57 Cb 0.26 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1cuu h SER 57 CO -0.31 0.46 -0.48 0.78 -1.14 0.00 0.00 176.83 176.14 1cuu h ASN 58 N 0.87 0.42 -0.40 3.07 2.35 -1.22 -1.67 115.58 118.99 1cuu h ASN 58 Ca 0.37 -0.20 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 1cuu h ASN 58 Cb 0.23 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1cuu h ASN 58 CO -0.19 0.83 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.22 1cuu h LEU 59 N 0.31 0.82 -1.16 1.61 3.38 -0.26 -2.53 115.31 117.49 1cuu h LEU 59 Ca 0.02 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1cuu h LEU 59 Cb 0.96 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1cuu h LEU 59 CO 0.08 1.01 0.43 -0.33 0.09 0.00 0.00 178.44 179.72 1cuu h GLU 60 N 0.62 1.01 -0.75 1.13 5.08 -0.86 -0.82 114.58 119.99 1cuu h GLU 60 Ca 0.10 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1cuu h GLU 60 Cb 0.67 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1cuu h GLU 60 CO 0.05 0.72 0.38 0.77 -1.00 0.00 0.00 179.01 179.93 1cuu h SER 61 N 1.02 0.96 -0.07 1.42 0.02 -1.03 0.64 113.55 116.52 1cuu h SER 61 Ca 0.26 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 1cuu h SER 61 Cb -0.02 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.28 1cuu h SER 61 CO -0.05 0.80 -0.41 0.00 -1.14 0.00 0.00 176.83 176.04 1cuu h ALA 62 N 1.19 0.14 -0.00 3.77 0.00 -0.98 -3.37 119.26 120.02 1cuu h ALA 62 Ca 0.26 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1cuu h ALA 62 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1cuu h ALA 62 CO -0.04 0.26 -0.74 1.19 0.00 0.00 0.00 179.25 179.93 1cuu n PHE 63 N -4.34 0.00 0.00 0.00 3.72 -0.37 -5.10 117.46 111.36 1cuu n PHE 63 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1cuu n PHE 63 Cb 0.55 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 1cuu n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cuu n GLY 64 N 1.37 -1.31 0.29 1.37 0.00 0.22 -3.52 105.19 103.61 1cuu n GLY 64 Ca 0.03 -1.43 0.08 0.00 0.00 0.00 0.00 46.02 44.70 1cuu n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cuu h LYS 65 N 0.00 0.38 0.00 1.61 1.79 -1.90 0.06 116.57 118.51 1cuu h LYS 65 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1cuu h LYS 65 Cb 0.00 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1cuu h LYS 65 CO 0.00 0.25 -0.06 -0.25 -1.08 0.00 0.00 179.45 178.31 1cuu n ASP 66 N -5.05 0.63 0.11 0.86 9.92 -1.26 -3.77 116.55 118.00 1cuu n ASP 66 Ca 0.17 0.50 0.12 0.00 -0.53 0.00 0.00 54.79 55.06 1cuu n ASP 66 Cb 0.51 -0.63 0.15 0.00 -0.64 0.00 0.00 41.12 40.51 1cuu n ASP 66 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1cuu h GLY 67 N 4.63 0.00 -5.64 0.44 0.00 -1.02 -3.41 103.07 98.07 1cuu h GLY 67 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1cuu h GLY 67 CO 0.00 0.00 -0.74 0.54 0.00 0.00 0.00 176.54 176.34 1cuu s VAL 68 N -3.23 0.24 -0.17 4.60 0.11 -1.12 -1.90 120.40 118.93 1cuu s VAL 68 Ca 0.05 -0.09 -0.05 0.00 -2.93 0.00 0.00 61.98 58.96 1cuu s VAL 68 Cb 0.10 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 1cuu s VAL 68 CO 0.71 0.09 -0.01 0.26 -3.33 0.00 0.00 175.10 172.82 1cuu s TRP 69 N 0.16 3.06 -0.23 1.54 0.51 0.18 -4.87 118.94 119.29 1cuu s TRP 69 Ca -0.01 -0.29 -0.09 0.00 -2.12 0.00 0.00 56.10 53.59 1cuu s TRP 69 Cb -0.04 -2.01 -0.04 0.00 -0.81 0.00 0.00 33.47 30.57 1cuu s TRP 69 CO -0.00 -0.06 0.12 0.42 -0.51 0.00 0.00 176.95 176.92 1cuu s ILE 70 N 0.52 5.06 -0.15 2.03 -1.09 -1.26 -0.77 121.20 125.54 1cuu s ILE 70 Ca -0.02 0.07 -0.02 0.00 -2.23 0.00 0.00 60.65 58.46 1cuu s ILE 70 Cb -0.14 -3.35 0.05 0.00 -1.58 0.00 0.00 42.46 37.44 1cuu s ILE 70 CO 0.02 0.37 0.01 -1.58 -1.23 0.00 0.00 174.94 172.53 1cuu s GLN 71 N 1.01 0.72 0.47 2.79 2.00 0.32 -1.56 119.66 125.42 1cuu s GLN 71 Ca 0.06 -0.24 -0.06 0.00 -2.00 0.00 0.00 55.36 53.12 1cuu s GLN 71 Cb -0.14 -1.70 -0.04 0.00 0.80 0.00 0.00 33.01 31.93 1cuu s GLN 71 CO 0.04 -0.50 0.79 0.20 -0.50 0.00 0.00 175.29 175.31 1cuu s GLY 72 N 1.88 1.56 -0.51 2.59 0.00 -0.70 -1.43 107.32 110.70 1cuu s GLY 72 Ca 0.01 -0.46 -0.21 0.00 0.00 0.00 0.00 44.72 44.07 1cuu s GLY 72 CO -0.07 -0.29 0.71 0.14 0.00 0.00 0.00 173.10 173.59 1cuu s VAL 73 N -2.70 4.74 0.00 1.40 1.01 -0.36 -4.84 120.40 119.65 1cuu s VAL 73 Ca 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1cuu s VAL 73 Cb -0.10 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1cuu s VAL 73 CO 0.43 -0.86 0.00 0.61 0.00 0.00 0.00 175.10 175.29 1cuu n GLY 74 N 5.14 1.24 7.00 4.51 0.00 -1.26 -4.76 105.19 117.06 1cuu n GLY 74 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1cuu n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cuu n GLY 75 N 5.00 3.51 0.05 -0.02 0.00 -1.26 -1.13 105.19 111.33 1cuu n GLY 75 Ca 0.00 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.36 1cuu n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cuu n ALA 76 N 11.82 2.01 -2.54 4.61 0.00 -1.26 -4.60 120.51 130.55 1cuu n ALA 76 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 1cuu n ALA 76 Cb 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 1cuu n ALA 76 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1cuu s TYR 77 N -3.08 2.29 -1.22 0.00 5.04 -0.29 -4.51 117.35 115.57 1cuu s TYR 77 Ca 0.10 -0.09 0.26 0.00 -2.44 0.00 0.00 57.07 54.90 1cuu s TYR 77 Cb 0.13 -4.63 0.76 0.00 0.35 0.00 0.00 41.96 38.58 1cuu s TYR 77 CO 0.45 -2.07 1.58 0.54 -1.34 0.00 0.00 175.55 174.71 1cuu n ARG 78 N 9.35 0.25 -3.77 4.97 5.12 -1.26 -4.74 116.66 126.57 1cuu n ARG 78 Ca 0.05 -0.12 -0.24 0.00 -1.93 0.00 0.00 57.85 55.61 1cuu n ARG 78 Cb 0.49 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 30.33 1cuu n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cuu n ALA 79 N -1.27 -1.77 -2.57 7.54 0.00 -1.26 -4.69 120.51 116.48 1cuu n ALA 79 Ca 0.08 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 1cuu n ALA 79 Cb 0.33 -2.80 -0.02 0.00 0.00 0.00 0.00 19.45 16.96 1cuu n ALA 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cuu s THR 80 N -3.55 4.53 0.25 0.00 2.01 -1.26 -0.49 115.64 117.12 1cuu s THR 80 Ca 0.22 1.84 -0.06 0.00 0.31 0.00 0.00 61.69 64.00 1cuu s THR 80 Cb -0.11 -4.19 0.26 0.00 0.01 0.00 0.00 72.50 68.47 1cuu s THR 80 CO 0.82 -0.11 1.65 0.25 -0.69 0.00 0.00 174.62 176.54 1cuu h LEU 81 N 9.08 -0.20 -2.06 4.42 5.85 -1.92 -1.01 115.31 129.46 1cuu h LEU 81 Ca -0.25 0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.72 1cuu h LEU 81 Cb 1.10 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1cuu h LEU 81 CO 0.94 -0.13 0.21 1.23 -0.34 0.00 0.00 178.44 180.35 1cuu h GLY 82 N 0.16 0.00 2.00 3.75 0.00 -2.02 -2.02 103.07 104.94 1cuu h GLY 82 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1cuu h GLY 82 CO -0.60 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.16 1cuu n ASP 83 N -4.29 0.10 0.27 0.19 8.00 -0.38 -2.06 116.55 118.38 1cuu n ASP 83 Ca 0.03 0.53 0.13 0.00 0.71 0.00 0.00 54.79 56.20 1cuu n ASP 83 Cb 0.36 -0.55 0.76 0.00 -0.02 0.00 0.00 41.12 41.67 1cuu n ASP 83 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1cuu h ASN 84 N 0.00 0.00 1.03 -2.24 2.35 -1.52 -2.06 115.58 113.14 1cuu h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1cuu h ASN 84 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1cuu h ASN 84 CO 0.00 0.10 -0.13 0.00 -1.65 0.00 0.00 177.43 175.74 1cuu n ALA 85 N -2.30 2.56 -1.37 -0.83 0.00 -0.87 -4.30 120.51 113.40 1cuu n ALA 85 Ca -0.02 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 1cuu n ALA 85 Cb 0.20 -1.39 0.07 0.00 0.00 0.00 0.00 19.45 18.34 1cuu n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cuu s LEU 86 N -3.49 3.26 0.25 0.00 1.43 -0.80 -4.88 118.68 114.44 1cuu s LEU 86 Ca 0.12 2.05 -0.10 0.00 -1.03 0.00 0.00 54.13 55.17 1cuu s LEU 86 Cb 0.17 -4.55 0.38 0.00 0.03 0.00 0.00 46.19 42.21 1cuu s LEU 86 CO 0.59 -1.95 1.44 -2.65 0.23 0.00 0.00 176.35 174.01 1cuu n PRO 87 N -2.84 -0.12 -0.13 1.29 -0.02 -1.26 -0.51 135.00 131.41 1cuu n PRO 87 Ca 0.11 1.44 0.10 0.00 -2.02 0.00 0.00 63.50 63.13 1cuu n PRO 87 Cb 0.52 -2.15 0.30 0.00 -0.02 0.00 0.00 33.50 32.15 1cuu n PRO 87 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1cuu n ARG 88 N -5.47 1.96 -0.69 -0.52 1.74 -1.26 -4.91 116.66 107.51 1cuu n ARG 88 Ca 0.13 -1.45 0.00 0.00 -0.77 0.00 0.00 57.85 55.76 1cuu n ARG 88 Cb 0.44 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1cuu n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cuu n GLY 89 N 1.23 0.73 3.86 -0.13 0.00 0.34 -4.73 105.19 106.49 1cuu n GLY 89 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1cuu n GLY 89 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cuu s THR 90 N -2.55 0.00 0.45 2.61 -1.32 -1.08 -4.15 115.64 109.61 1cuu s THR 90 Ca 0.00 -0.69 -0.08 0.00 -1.21 0.00 0.00 61.69 59.71 1cuu s THR 90 Cb 0.00 -2.84 -0.05 0.00 -1.51 0.00 0.00 72.50 68.11 1cuu s THR 90 CO 0.00 0.00 0.79 -0.94 -2.21 0.00 0.00 174.62 172.26 1cuu s SER 91 N -3.30 6.38 0.27 8.08 1.04 -1.26 -4.74 113.70 120.16 1cuu s SER 91 Ca 0.20 1.05 -0.02 0.00 0.48 0.00 0.00 55.95 57.66 1cuu s SER 91 Cb -0.03 -2.30 0.36 0.00 0.10 0.00 0.00 66.02 64.15 1cuu s SER 91 CO 0.07 -0.51 1.79 0.28 0.98 0.00 0.00 173.24 175.85 1cuu h SER 92 N 0.68 0.78 -0.76 7.02 0.02 -2.00 -2.22 113.55 117.09 1cuu h SER 92 Ca -0.47 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.29 1cuu h SER 92 Cb 1.20 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 1cuu h SER 92 CO 0.63 0.80 0.37 0.00 -1.14 0.00 0.00 176.83 177.49 1cuu h ALA 93 N 1.30 1.20 -0.39 3.77 0.00 -1.94 -1.22 119.26 121.98 1cuu h ALA 93 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1cuu h ALA 93 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1cuu h ALA 93 CO 0.01 0.61 0.03 0.00 0.00 0.00 0.00 179.25 179.90 1cuu h ALA 94 N 1.31 0.52 -0.73 0.00 0.00 -1.65 -1.81 119.26 116.91 1cuu h ALA 94 Ca 0.27 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1cuu h ALA 94 Cb 0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1cuu h ALA 94 CO -0.03 0.26 0.47 0.82 0.00 0.00 0.00 179.25 180.77 1cuu h ILE 95 N 0.49 1.19 -0.55 0.00 2.04 -1.06 -1.38 117.51 118.24 1cuu h ILE 95 Ca 0.11 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1cuu h ILE 95 Cb 0.42 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1cuu h ILE 95 CO 0.01 0.19 0.21 -0.09 0.00 0.00 0.00 178.15 178.47 1cuu h ARG 96 N 0.99 0.80 -0.14 2.37 2.43 -1.03 -0.18 114.38 119.62 1cuu h ARG 96 Ca 0.27 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1cuu h ARG 96 Cb -0.10 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1cuu h ARG 96 CO -0.06 0.66 0.04 1.49 -1.51 0.00 0.00 179.97 180.60 1cuu h GLU 97 N 0.79 0.21 -0.53 0.20 4.57 -0.41 -1.12 114.58 118.29 1cuu h GLU 97 Ca 0.19 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.20 1cuu h GLU 97 Cb 0.17 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1cuu h GLU 97 CO -0.02 0.35 -0.14 1.98 -1.18 0.00 0.00 179.01 180.00 1cuu h MET 98 N 0.04 1.03 -0.75 1.92 4.05 -0.97 -2.32 114.93 117.93 1cuu h MET 98 Ca 0.04 -0.40 0.04 0.00 -0.28 0.00 0.00 59.70 59.10 1cuu h MET 98 Cb 0.23 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.93 1cuu h MET 98 CO -0.00 1.09 0.47 -0.07 0.23 0.00 0.00 176.91 178.62 1cuu h LEU 99 N 0.90 0.76 -1.58 3.39 3.38 -0.94 -1.19 115.31 120.03 1cuu h LEU 99 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1cuu h LEU 99 Cb 0.72 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1cuu h LEU 99 CO 0.05 0.52 -0.05 1.23 0.09 0.00 0.00 178.44 180.29 1cuu h GLY 100 N 0.90 0.22 1.06 0.83 0.00 -0.88 -0.83 103.07 104.38 1cuu h GLY 100 Ca 0.30 -0.11 -0.17 0.00 0.00 0.00 0.00 47.33 47.35 1cuu h GLY 100 CO -0.12 0.11 -0.54 1.41 0.00 0.00 0.00 176.54 177.40 1cuu h LEU 101 N 0.20 0.86 -0.68 3.11 3.38 -0.70 -0.06 115.31 121.42 1cuu h LEU 101 Ca 0.05 -0.56 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 1cuu h LEU 101 Cb 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1cuu h LEU 101 CO 0.01 1.27 0.31 -0.26 0.09 0.00 0.00 178.44 179.86 1cuu h PHE 102 N 0.49 1.00 -0.70 1.13 0.04 -0.88 -0.44 116.94 117.58 1cuu h PHE 102 Ca -0.00 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.64 1cuu h PHE 102 Cb 1.15 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.97 1cuu h PHE 102 CO 0.08 0.75 0.17 1.96 -0.60 0.00 0.00 178.31 180.67 1cuu h GLN 103 N 0.95 1.12 -0.72 1.51 4.20 -1.08 -1.09 115.11 120.00 1cuu h GLN 103 Ca 0.23 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1cuu h GLN 103 Cb 0.14 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1cuu h GLN 103 CO -0.03 0.99 0.28 1.96 -0.67 0.00 0.00 178.83 181.37 1cuu h GLN 104 N 1.06 1.09 -0.42 1.46 4.20 -0.55 -1.27 115.11 120.67 1cuu h GLN 104 Ca 0.22 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1cuu h GLN 104 Cb 0.38 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1cuu h GLN 104 CO 0.00 0.90 0.18 0.00 -0.67 0.00 0.00 178.83 179.24 1cuu h ALA 105 N 1.13 0.55 -0.91 3.87 0.00 -0.72 0.15 119.26 123.33 1cuu h ALA 105 Ca 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1cuu h ALA 105 Cb 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1cuu h ALA 105 CO -0.02 0.15 0.55 -0.97 0.00 0.00 0.00 179.25 178.96 1cuu h ASN 106 N 0.54 1.09 -0.00 0.00 -1.24 -0.93 0.63 115.58 115.67 1cuu h ASN 106 Ca 0.14 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 1cuu h ASN 106 Cb 0.18 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.95 1cuu h ASN 106 CO -0.01 0.84 -0.11 0.74 -1.29 0.00 0.00 177.43 177.60 1cuu h THR 107 N 1.25 1.59 -0.36 -3.57 2.02 -0.98 -2.99 112.91 109.88 1cuu h THR 107 Ca 0.33 -1.89 -0.08 0.00 0.77 0.00 0.00 66.41 65.53 1cuu h THR 107 Cb -0.05 2.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1cuu h THR 107 CO -0.06 0.50 -0.09 0.50 0.37 0.00 0.00 175.52 176.74 1cuu h LYS 108 N -0.66 0.71 -2.43 6.66 3.64 -0.67 -3.38 116.57 120.42 1cuu h LYS 108 Ca -0.01 -0.27 -0.59 0.00 -1.27 0.00 0.00 60.65 58.50 1cuu h LYS 108 Cb 0.88 -0.04 -0.39 0.00 -0.41 0.00 0.00 32.23 32.27 1cuu h LYS 108 CO 0.02 0.86 -0.90 0.00 -2.27 0.00 0.00 179.45 177.17 1cuu h PRO 110 N 5.21 0.00 -0.02 0.00 0.13 -1.67 -2.40 132.00 133.25 1cuu h PRO 110 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1cuu h PRO 110 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1cuu h PRO 110 CO 0.49 0.00 -0.23 -0.25 -0.23 0.00 0.00 178.00 177.78 1cuu n ASP 111 N -3.39 1.85 -4.79 1.44 8.00 -1.26 -4.95 116.55 113.44 1cuu n ASP 111 Ca -0.03 -1.44 -0.35 0.00 0.71 0.00 0.00 54.79 53.68 1cuu n ASP 111 Cb 0.09 0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 1cuu n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cuu s ALA 112 N -2.30 3.01 -0.04 2.24 0.00 -0.90 -5.01 121.76 118.76 1cuu s ALA 112 Ca 0.26 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.62 1cuu s ALA 112 Cb 0.19 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 1cuu s ALA 112 CO 0.46 -0.14 0.53 0.99 0.00 0.00 0.00 175.76 177.59 1cuu s THR 113 N -1.87 5.01 0.09 0.00 2.01 0.03 -4.94 115.64 115.97 1cuu s THR 113 Ca 0.61 1.09 0.02 0.00 0.31 0.00 0.00 61.69 63.72 1cuu s THR 113 Cb -0.17 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1cuu s THR 113 CO 0.22 0.42 0.14 -0.76 -0.69 0.00 0.00 174.62 173.95 1cuu s LEU 114 N -0.13 4.02 0.02 4.42 1.43 -0.76 -1.61 118.68 126.08 1cuu s LEU 114 Ca 0.28 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1cuu s LEU 114 Cb -0.17 -2.66 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 1cuu s LEU 114 CO 0.14 0.15 0.03 0.27 0.23 0.00 0.00 176.35 177.18 1cuu s ILE 115 N -1.49 0.12 0.17 -0.59 -4.36 -0.61 -0.62 121.20 113.82 1cuu s ILE 115 Ca 0.32 -0.95 -0.03 0.00 -0.26 0.00 0.00 60.65 59.73 1cuu s ILE 115 Cb -0.12 -0.50 -0.03 0.00 1.25 0.00 0.00 42.46 43.06 1cuu s ILE 115 CO 0.25 -0.52 0.15 0.00 0.24 0.00 0.00 174.94 175.05 1cuu s ALA 116 N -1.81 0.83 -0.01 2.27 0.00 -0.83 -1.68 121.76 120.54 1cuu s ALA 116 Ca -0.12 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.07 1cuu s ALA 116 Cb -0.07 1.12 0.10 0.00 0.00 0.00 0.00 23.12 24.28 1cuu s ALA 116 CO -0.02 -0.58 1.02 0.20 0.00 0.00 0.00 175.76 176.38 1cuu s GLY 117 N -3.09 -0.37 -0.02 0.00 0.00 -0.85 -1.52 107.32 101.48 1cuu s GLY 117 Ca 0.30 0.90 -0.29 0.00 0.00 0.00 0.00 44.72 45.64 1cuu s GLY 117 CO 0.07 0.28 0.80 -0.32 0.00 0.00 0.00 173.10 173.92 1cuu s GLY 118 N -2.58 -0.48 -0.07 0.20 0.00 -0.58 -1.48 107.32 102.34 1cuu s GLY 118 Ca 0.09 1.24 0.03 0.00 0.00 0.00 0.00 44.72 46.08 1cuu s GLY 118 CO -0.05 0.65 -0.16 -0.47 0.00 0.00 0.00 173.10 173.06 1cuu s TYR 119 N -2.21 1.80 0.00 1.90 5.04 -0.89 -1.02 117.35 121.96 1cuu s TYR 119 Ca -0.02 -0.65 0.00 0.00 -2.44 0.00 0.00 57.07 53.96 1cuu s TYR 119 Cb -0.01 -1.25 0.00 0.00 0.35 0.00 0.00 41.96 41.06 1cuu s TYR 119 CO -0.02 -0.28 0.00 0.45 -1.34 0.00 0.00 175.55 174.36 1cuu n SER 120 N 3.55 0.00 -0.18 4.32 2.88 -0.05 -0.24 113.62 123.90 1cuu n SER 120 Ca -0.21 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.45 1cuu n SER 120 Cb 0.52 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.41 1cuu n SER 120 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1cuu h GLN 121 N 0.00 0.57 0.00 -1.46 4.15 -1.85 0.16 115.11 116.69 1cuu h GLN 121 Ca 0.00 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1cuu h GLN 121 Cb 0.00 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1cuu h GLN 121 CO 0.00 0.38 -0.18 0.78 -1.93 0.00 0.00 178.83 177.88 1cuu h GLY 122 N 0.59 0.00 1.07 2.39 0.00 -0.25 0.60 103.07 107.47 1cuu h GLY 122 Ca 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.54 1cuu h GLY 122 CO -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 176.03 1cuu h ALA 123 N 1.82 0.48 -0.58 3.60 0.00 -0.64 0.73 119.26 124.68 1cuu h ALA 123 Ca -0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1cuu h ALA 123 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1cuu h ALA 123 CO 0.02 0.58 0.08 0.00 0.00 0.00 0.00 179.25 179.93 1cuu h ALA 124 N 0.72 0.77 -0.39 0.00 0.00 -0.95 -1.25 119.26 118.17 1cuu h ALA 124 Ca 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1cuu h ALA 124 Cb 0.97 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1cuu h ALA 124 CO 0.09 0.54 0.22 1.25 0.00 0.00 0.00 179.25 181.34 1cuu h LEU 125 N 0.87 0.48 -0.48 0.00 5.85 -0.74 0.23 115.31 121.52 1cuu h LEU 125 Ca 0.17 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1cuu h LEU 125 Cb 0.44 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1cuu h LEU 125 CO 0.01 0.43 0.31 0.00 -0.34 0.00 0.00 178.44 178.85 1cuu h ALA 126 N 1.07 0.60 -0.18 1.25 0.00 -0.65 -0.24 119.26 121.12 1cuu h ALA 126 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1cuu h ALA 126 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1cuu h ALA 126 CO -0.02 0.06 0.10 0.00 0.00 0.00 0.00 179.25 179.39 1cuu h ALA 127 N 1.17 0.24 -0.43 0.00 0.00 -0.91 -1.06 119.26 118.27 1cuu h ALA 127 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1cuu h ALA 127 Cb -0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1cuu h ALA 127 CO -0.04 -0.23 0.21 0.00 0.00 0.00 0.00 179.25 179.20 1cuu h ALA 128 N 0.99 0.55 -0.14 0.00 0.00 -0.74 -1.23 119.26 118.69 1cuu h ALA 128 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1cuu h ALA 128 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1cuu h ALA 128 CO -0.01 0.11 0.07 0.77 0.00 0.00 0.00 179.25 180.19 1cuu h SER 129 N 0.55 0.18 -0.90 0.00 0.02 -0.89 -1.91 113.55 110.61 1cuu h SER 129 Ca 0.15 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1cuu h SER 129 Cb 0.11 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1cuu h SER 129 CO -0.02 0.25 0.55 0.40 -1.14 0.00 0.00 176.83 176.86 1cuu h ILE 130 N 0.11 1.25 -0.82 3.27 2.04 -1.10 0.70 117.51 122.95 1cuu h ILE 130 Ca 0.05 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1cuu h ILE 130 Cb 0.11 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.12 1cuu h ILE 130 CO -0.01 0.26 0.47 -0.08 0.00 0.00 0.00 178.15 178.79 1cuu h GLU 131 N 1.24 1.14 0.00 2.37 4.81 -0.94 -2.69 114.58 120.51 1cuu h GLU 131 Ca 0.32 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1cuu h GLU 131 Cb -0.06 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.09 1cuu h GLU 131 CO -0.06 0.83 -0.23 -0.44 -0.73 0.00 0.00 179.01 178.37 1cuu h ASP 132 N 1.14 0.00 -3.92 1.04 3.32 -0.55 -3.48 116.42 113.97 1cuu h ASP 132 Ca 0.29 -0.05 -0.56 0.00 0.02 0.00 0.00 57.03 56.73 1cuu h ASP 132 Cb 0.01 0.00 0.15 0.00 0.22 0.00 0.00 39.33 39.71 1cuu h ASP 132 CO -0.05 0.03 0.47 0.18 -1.72 0.00 0.00 179.24 178.15 1cuu n LEU 133 N -2.43 5.21 -4.73 1.55 4.77 0.16 -4.93 117.00 116.61 1cuu n LEU 133 Ca 0.04 0.91 -0.42 0.00 -0.03 0.00 0.00 56.01 56.51 1cuu n LEU 133 Cb 0.46 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.00 1cuu n LEU 133 CO 0.33 -0.97 1.21 -0.62 -1.33 0.00 0.00 177.39 176.01 1cuu s ASP 134 N -1.09 6.58 0.34 -1.43 2.15 -1.26 -4.78 116.67 117.17 1cuu s ASP 134 Ca 0.75 2.67 0.12 0.00 0.43 0.00 0.00 52.55 56.52 1cuu s ASP 134 Cb -0.41 -2.60 0.97 0.00 -0.30 0.00 0.00 42.92 40.57 1cuu s ASP 134 CO 0.47 -0.81 1.73 0.77 -0.17 0.00 0.00 175.17 177.16 1cuu h SER 135 N 6.19 0.60 -0.06 -0.34 4.64 -1.95 -0.11 113.55 122.52 1cuu h SER 135 Ca -0.44 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 1cuu h SER 135 Cb 1.21 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1cuu h SER 135 CO 0.87 0.07 -0.02 0.00 -0.87 0.00 0.00 176.83 176.88 1cuu h ALA 136 N 1.72 1.69 0.14 5.18 0.00 -1.99 0.26 119.26 126.25 1cuu h ALA 136 Ca 0.65 -0.11 -0.30 0.00 0.00 0.00 0.00 54.91 55.14 1cuu h ALA 136 Cb 1.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1cuu h ALA 136 CO -0.45 0.24 -1.52 0.82 0.00 0.00 0.00 179.25 178.34 1cuu h ILE 137 N 0.22 1.00 -0.97 0.00 2.04 -1.45 -3.34 117.51 115.01 1cuu h ILE 137 Ca 0.05 -2.44 0.09 0.00 1.00 0.00 0.00 64.86 63.57 1cuu h ILE 137 Cb 0.18 2.74 -0.08 0.00 -0.74 0.00 0.00 36.82 38.93 1cuu h ILE 137 CO 0.01 0.76 0.61 -0.09 0.00 0.00 0.00 178.15 179.43 1cuu h ARG 138 N -0.17 1.00 0.00 2.37 2.43 -0.92 0.27 114.38 119.35 1cuu h ARG 138 Ca -0.32 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1cuu h ARG 138 Cb 1.87 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1cuu h ARG 138 CO 0.10 0.66 0.00 -0.25 -1.51 0.00 0.00 179.97 178.97 1cuu n ASP 139 N -4.60 0.13 0.02 -3.80 8.00 0.06 -1.44 116.55 114.92 1cuu n ASP 139 Ca 0.17 0.54 0.12 0.00 0.71 0.00 0.00 54.79 56.33 1cuu n ASP 139 Cb 0.27 -0.57 0.31 0.00 -0.02 0.00 0.00 41.12 41.11 1cuu n ASP 139 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cuu n LYS 140 N -1.66 0.08 -2.65 -1.24 5.02 0.08 -4.71 118.16 113.08 1cuu n LYS 140 Ca 0.02 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 1cuu n LYS 140 Cb 0.12 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 1cuu n LYS 140 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1cuu s ILE 141 N -3.04 3.93 0.42 -0.18 1.01 -0.52 -1.82 121.20 121.00 1cuu s ILE 141 Ca 0.10 0.19 0.31 0.00 0.00 0.00 0.00 60.65 61.25 1cuu s ILE 141 Cb 0.17 -4.83 0.33 0.00 0.01 0.00 0.00 42.46 38.14 1cuu s ILE 141 CO 0.67 -1.70 2.12 0.00 0.00 0.00 0.00 174.94 176.02 1cuu h ALA 142 N 9.85 1.21 -1.53 9.38 0.00 -1.15 -3.45 119.26 133.57 1cuu h ALA 142 Ca -0.28 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.65 1cuu h ALA 142 Cb 1.06 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.60 1cuu h ALA 142 CO 1.24 0.10 0.56 0.20 0.00 0.00 0.00 179.25 181.35 1cuu s GLY 143 N -4.18 -0.22 -0.02 0.00 0.00 -1.26 -4.78 107.32 96.86 1cuu s GLY 143 Ca -0.03 2.17 0.01 0.00 0.00 0.00 0.00 44.72 46.87 1cuu s GLY 143 CO 0.55 1.14 -0.03 -1.59 0.00 0.00 0.00 173.10 173.17 1cuu s THR 144 N -0.93 0.32 -0.11 0.90 2.01 -0.02 -1.97 115.64 115.84 1cuu s THR 144 Ca -0.00 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1cuu s THR 144 Cb -0.01 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 72.16 1cuu s THR 144 CO -0.00 0.13 -0.18 0.68 -0.69 0.00 0.00 174.62 174.56 1cuu s VAL 145 N 0.40 2.64 -0.13 3.82 -7.23 -0.57 -1.52 120.40 117.81 1cuu s VAL 145 Ca -0.04 -0.82 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1cuu s VAL 145 Cb -0.07 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.82 1cuu s VAL 145 CO -0.01 0.55 -0.18 -0.76 -0.31 0.00 0.00 175.10 174.39 1cuu s LEU 146 N 0.20 1.88 -0.12 1.32 1.43 -0.40 -1.52 118.68 121.46 1cuu s LEU 146 Ca -0.11 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 1cuu s LEU 146 Cb -0.16 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1cuu s LEU 146 CO 0.06 0.02 0.02 -0.36 0.23 0.00 0.00 176.35 176.32 1cuu s PHE 147 N 1.04 3.19 -1.39 0.29 0.40 -0.19 -0.51 117.98 120.81 1cuu s PHE 147 Ca -0.04 0.11 -0.03 0.00 -0.60 0.00 0.00 56.93 56.37 1cuu s PHE 147 Cb -0.15 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.50 1cuu s PHE 147 CO -0.04 0.33 0.42 0.41 0.70 0.00 0.00 175.22 177.05 1cuu n GLY 148 N 2.66 -0.30 3.57 4.36 0.00 -0.02 -0.87 105.19 114.60 1cuu n GLY 148 Ca -0.18 0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1cuu n GLY 148 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cuu s TYR 149 N -3.94 1.17 0.34 1.61 5.04 -1.26 -3.37 117.35 116.95 1cuu s TYR 149 Ca 0.06 1.10 0.38 0.00 -2.44 0.00 0.00 57.07 56.17 1cuu s TYR 149 Cb -0.02 -3.76 1.94 0.00 0.35 0.00 0.00 41.96 40.46 1cuu s TYR 149 CO 0.90 -3.11 2.14 1.79 -1.34 0.00 0.00 175.55 175.93 1cuu h THR 150 N 7.41 0.00 -0.29 4.34 1.35 -1.75 -1.20 112.91 122.77 1cuu h THR 150 Ca -0.31 -0.11 -0.07 0.00 -0.55 0.00 0.00 66.41 65.37 1cuu h THR 150 Cb 1.25 1.00 -0.04 0.00 -1.73 0.00 0.00 68.15 68.63 1cuu h THR 150 CO 1.08 0.00 -0.01 0.29 -0.25 0.00 0.00 175.52 176.64 1cuu n LYS 151 N -2.89 2.49 0.02 4.72 4.76 -1.26 -4.76 118.16 121.23 1cuu n LYS 151 Ca -0.02 -2.94 -0.10 0.00 -2.87 0.00 0.00 58.31 52.38 1cuu n LYS 151 Cb 0.12 -1.83 -0.04 0.00 -1.84 0.00 0.00 35.03 31.44 1cuu n LYS 151 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1cuu h ASN 152 N 1.45 -0.31 -0.09 4.39 -0.73 -1.44 0.65 115.58 119.49 1cuu h ASN 152 Ca 0.08 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.28 1cuu h ASN 152 Cb 1.52 0.15 -0.00 0.00 0.27 0.00 0.00 38.32 40.26 1cuu h ASN 152 CO 0.28 -0.14 -0.05 0.25 -0.37 0.00 0.00 177.43 177.41 1cuu h LEU 153 N -0.14 0.20 -1.13 0.34 5.85 -1.83 0.16 115.31 118.77 1cuu h LEU 153 Ca 0.06 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.43 1cuu h LEU 153 Cb 0.23 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1cuu h LEU 153 CO -0.16 0.58 0.60 1.56 -0.34 0.00 0.00 178.44 180.68 1cuu h GLN 154 N -0.18 1.01 -0.54 1.25 7.50 -1.87 -1.99 115.11 120.28 1cuu h GLN 154 Ca 0.02 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1cuu h GLN 154 Cb 0.51 -0.23 0.00 0.00 0.05 0.00 0.00 27.48 27.81 1cuu h GLN 154 CO 0.01 0.67 0.00 0.09 -1.50 0.00 0.00 178.83 178.10 1cuu n ASN 155 N -4.50 3.53 -3.71 1.46 3.02 0.21 -4.96 115.26 110.31 1cuu n ASN 155 Ca 0.14 -1.99 -0.27 0.00 -0.03 0.00 0.00 54.58 52.44 1cuu n ASN 155 Cb 0.21 -0.36 0.05 0.00 -0.61 0.00 0.00 39.78 39.08 1cuu n ASN 155 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1cuu n ARG 156 N 1.47 -6.59 -1.21 3.52 5.12 -0.47 -1.99 116.66 116.50 1cuu n ARG 156 Ca 0.21 0.72 -0.07 0.00 -1.93 0.00 0.00 57.85 56.78 1cuu n ARG 156 Cb 0.59 -5.69 -0.03 0.00 -1.16 0.00 0.00 32.46 26.17 1cuu n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1cuu n GLY 157 N -1.82 0.90 3.57 -0.13 0.00 0.46 -5.01 105.19 103.16 1cuu n GLY 157 Ca 0.02 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 1cuu n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cuu s ARG 158 N -2.32 1.86 -0.20 1.61 1.81 -0.84 -4.91 118.95 115.97 1cuu s ARG 158 Ca 0.00 -2.04 -0.03 0.00 -1.72 0.00 0.00 55.73 51.94 1cuu s ARG 158 Cb 0.00 -1.42 -0.01 0.00 -0.45 0.00 0.00 34.95 33.07 1cuu s ARG 158 CO 0.00 -0.08 -0.07 0.42 -0.68 0.00 0.00 175.30 174.89 1cuu s ILE 159 N -2.87 3.19 0.21 1.52 1.01 -1.26 -4.80 121.20 118.20 1cuu s ILE 159 Ca 0.35 -0.56 -0.32 0.00 0.00 0.00 0.00 60.65 60.12 1cuu s ILE 159 Cb 0.09 -2.42 -0.14 0.00 0.01 0.00 0.00 42.46 39.99 1cuu s ILE 159 CO 0.17 0.45 1.27 -2.65 0.00 0.00 0.00 174.94 174.19 1cuu n PRO 160 N 4.53 1.61 -1.21 2.79 -0.02 -1.26 -1.82 135.00 139.61 1cuu n PRO 160 Ca -0.18 0.57 -0.07 0.00 -2.02 0.00 0.00 63.50 61.80 1cuu n PRO 160 Cb 0.51 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1cuu n PRO 160 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cuu n ASN 161 N 2.02 -4.71 -4.06 2.55 3.02 -1.26 -4.21 115.26 108.61 1cuu n ASN 161 Ca 0.13 0.18 -0.23 0.00 -0.03 0.00 0.00 54.58 54.62 1cuu n ASN 161 Cb 0.28 -2.85 -0.16 0.00 -0.61 0.00 0.00 39.78 36.44 1cuu n ASN 161 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1cuu s TYR 162 N -1.99 1.36 0.32 3.10 5.04 -0.76 -5.02 117.35 119.39 1cuu s TYR 162 Ca 0.00 -0.40 -0.29 0.00 -2.44 0.00 0.00 57.07 53.94 1cuu s TYR 162 Cb 0.00 -0.95 -0.12 0.00 0.35 0.00 0.00 41.96 41.24 1cuu s TYR 162 CO 0.00 -0.16 1.46 -0.35 -1.34 0.00 0.00 175.55 175.15 1cuu n PRO 163 N 3.36 2.45 -0.14 4.97 -0.04 -1.26 -4.53 135.00 139.80 1cuu n PRO 163 Ca -0.19 0.86 -0.01 0.00 -0.04 0.00 0.00 63.50 64.13 1cuu n PRO 163 Cb 0.53 -2.56 0.25 0.00 -0.04 0.00 0.00 33.50 31.68 1cuu n PRO 163 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cuu h ALA 164 N 3.58 1.38 0.00 0.55 0.00 -1.93 -2.28 119.26 120.55 1cuu h ALA 164 Ca -0.48 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1cuu h ALA 164 Cb 1.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1cuu h ALA 164 CO 0.70 0.49 0.00 0.38 0.00 0.00 0.00 179.25 180.81 1cuu h ASP 165 N 0.83 0.00 -0.48 0.00 2.03 -2.01 -1.40 116.42 115.39 1cuu h ASP 165 Ca 0.21 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 1cuu h ASP 165 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 1cuu h ASP 165 CO -0.03 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.72 1cuu n ARG 166 N -2.94 2.57 -4.88 4.15 1.74 -0.87 -4.93 116.66 111.50 1cuu n ARG 166 Ca -0.00 -2.39 -0.33 0.00 -0.77 0.00 0.00 57.85 54.36 1cuu n ARG 166 Cb 0.21 -1.53 -0.14 0.00 -1.02 0.00 0.00 32.46 29.98 1cuu n ARG 166 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1cuu s THR 167 N -1.37 3.01 -0.07 0.55 2.01 -0.53 -0.84 115.64 118.40 1cuu s THR 167 Ca 0.42 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.69 1cuu s THR 167 Cb 0.24 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.57 1cuu s THR 167 CO 0.32 0.57 -0.05 -0.75 -0.69 0.00 0.00 174.62 174.03 1cuu s LYS 168 N -0.42 1.04 -0.12 4.92 2.20 -0.57 -4.97 119.74 121.82 1cuu s LYS 168 Ca 0.05 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 1cuu s LYS 168 Cb -0.12 -1.15 -0.02 0.00 -1.51 0.00 0.00 37.83 35.03 1cuu s LYS 168 CO 0.02 -0.19 -0.13 0.08 -0.36 0.00 0.00 175.35 174.77 1cuu s VAL 169 N 1.46 3.07 -0.36 4.02 1.01 -1.26 -1.28 120.40 127.06 1cuu s VAL 169 Ca -0.02 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 1cuu s VAL 169 Cb -0.13 -2.28 0.06 0.00 0.00 0.00 0.00 36.38 34.03 1cuu s VAL 169 CO -0.04 0.53 0.13 -0.36 0.00 0.00 0.00 175.10 175.36 1cuu s PHE 170 N 0.27 3.33 -0.23 5.22 0.08 0.34 -4.97 117.98 122.01 1cuu s PHE 170 Ca -0.09 -1.69 -0.01 0.00 0.12 0.00 0.00 56.93 55.25 1cuu s PHE 170 Cb -0.16 -2.52 0.07 0.00 -0.57 0.00 0.00 43.02 39.84 1cuu s PHE 170 CO 0.05 -0.81 0.00 0.00 -0.10 0.00 0.00 175.22 174.37 1cuu s ASN 172 N 1.60 5.88 0.17 0.00 0.01 -1.26 -4.98 114.94 116.36 1cuu s ASN 172 Ca -0.01 2.22 -0.31 0.00 -0.71 0.00 0.00 52.86 54.05 1cuu s ASN 172 Cb -0.18 -2.59 -0.09 0.00 0.41 0.00 0.00 41.25 38.80 1cuu s ASN 172 CO -0.09 -1.11 1.43 -0.89 -1.51 0.00 0.00 177.10 174.93 1cuu s THR 173 N -1.69 3.00 0.00 1.60 2.01 -1.26 -1.49 115.64 117.81 1cuu s THR 173 Ca 0.69 0.75 0.00 0.00 0.31 0.00 0.00 61.69 63.44 1cuu s THR 173 Cb -0.26 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1cuu s THR 173 CO 0.30 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 1cuu n GLY 174 N 3.15 1.03 3.54 4.40 0.00 -1.26 -4.85 105.19 111.18 1cuu n GLY 174 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1cuu n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cuu s ASP 175 N -2.77 6.19 0.57 1.61 -1.08 -0.55 -4.64 116.67 116.00 1cuu s ASP 175 Ca 0.00 -0.62 0.28 0.00 -0.52 0.00 0.00 52.55 51.68 1cuu s ASP 175 Cb 0.00 -2.54 1.53 0.00 -1.46 0.00 0.00 42.92 40.45 1cuu s ASP 175 CO 0.00 -1.75 2.00 -0.07 0.52 0.00 0.00 175.17 175.87 1cuu h LEU 176 N 12.75 0.00 -1.61 -1.34 3.38 -1.88 -1.70 115.31 124.91 1cuu h LEU 176 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1cuu h LEU 176 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1cuu h LEU 176 CO 1.28 0.00 -0.06 -0.37 0.09 0.00 0.00 178.44 179.38 1cuu h VAL 177 N 0.00 0.18 0.00 1.22 -1.51 -1.70 -1.51 116.25 112.93 1cuu h VAL 177 Ca 0.17 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1cuu h VAL 177 Cb 0.86 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1cuu h VAL 177 CO -0.00 0.06 -0.18 0.00 -1.23 0.00 0.00 177.57 176.22 1cuu n THR 179 N -1.56 1.98 -0.20 0.00 -1.04 -0.61 -3.42 114.28 109.42 1cuu n THR 179 Ca 0.06 -1.65 0.00 0.00 -2.04 0.00 0.00 64.05 60.43 1cuu n THR 179 Cb 0.35 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 1cuu n THR 179 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1cuu n GLY 180 N -0.21 0.71 3.79 3.41 0.00 -1.20 -4.96 105.19 106.73 1cuu n GLY 180 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1cuu n GLY 180 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cuu s SER 181 N -2.62 4.57 -0.08 1.61 0.15 -0.93 -5.04 113.70 111.37 1cuu s SER 181 Ca 0.00 -1.04 0.12 0.00 0.70 0.00 0.00 55.95 55.72 1cuu s SER 181 Cb 0.00 -0.37 0.29 0.00 -1.71 0.00 0.00 66.02 64.23 1cuu s SER 181 CO 0.00 -0.64 1.22 0.18 1.20 0.00 0.00 173.24 175.20 1cuu n LEU 182 N -1.36 2.85 -4.72 3.45 4.77 -1.26 -3.74 117.00 116.99 1cuu n LEU 182 Ca -0.01 -2.51 -0.42 0.00 -0.03 0.00 0.00 56.01 53.04 1cuu n LEU 182 Cb 0.64 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1cuu n LEU 182 CO 0.44 0.66 0.72 -0.63 -1.33 0.00 0.00 177.39 177.24 1cuu s ILE 183 N -1.90 4.62 -0.38 -0.08 -1.09 -1.26 -4.98 121.20 116.13 1cuu s ILE 183 Ca 0.25 1.94 -0.17 0.00 -2.23 0.00 0.00 60.65 60.44 1cuu s ILE 183 Cb 0.19 -4.25 0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1cuu s ILE 183 CO 0.07 0.19 0.44 -0.69 -1.23 0.00 0.00 174.94 173.72 1cuu s VAL 184 N 0.78 5.08 0.42 2.92 1.01 -1.26 -4.07 120.40 125.29 1cuu s VAL 184 Ca 0.52 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.50 1cuu s VAL 184 Cb -0.23 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1cuu s VAL 184 CO 0.29 -0.29 0.19 0.00 0.00 0.00 0.00 175.10 175.29 1cuu s ALA 185 N 2.19 3.64 0.26 5.51 0.00 -1.26 -5.04 121.76 127.05 1cuu s ALA 185 Ca 0.14 -2.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.02 1cuu s ALA 185 Cb -0.16 -0.40 0.53 0.00 0.00 0.00 0.00 23.12 23.08 1cuu s ALA 185 CO 0.13 -0.18 1.70 0.00 0.00 0.00 0.00 175.76 177.41 1cuu h ALA 186 N 1.39 1.10 -0.02 0.00 0.00 -1.97 -1.16 119.26 118.59 1cuu h ALA 186 Ca -0.43 0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1cuu h ALA 186 Cb 1.26 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1cuu h ALA 186 CO 0.69 -0.30 0.05 -1.35 0.00 0.00 0.00 179.25 178.34 1cuu h PRO 187 N 0.35 0.00 0.00 0.00 0.11 -1.89 -0.90 132.00 129.66 1cuu h PRO 187 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1cuu h PRO 187 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1cuu h PRO 187 CO -0.49 0.00 0.00 1.25 -0.21 0.00 0.00 178.00 178.55 1cuu h HIS 188 N 0.00 0.00 -0.52 0.65 2.76 -1.51 -2.61 115.15 113.92 1cuu h HIS 188 Ca 0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1cuu h HIS 188 Cb 0.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1cuu h HIS 188 CO 0.00 0.00 0.00 1.28 -1.30 0.00 0.00 177.93 177.91 1cuu n LEU 189 N -3.02 4.08 -2.34 0.26 4.32 -0.35 -4.62 117.00 115.34 1cuu n LEU 189 Ca 0.00 -2.38 -0.30 0.00 -0.02 0.00 0.00 56.01 53.31 1cuu n LEU 189 Cb 0.26 -0.48 0.03 0.00 -1.62 0.00 0.00 43.42 41.62 1cuu n LEU 189 CO 0.25 0.79 0.73 0.00 -1.22 0.00 0.00 177.39 177.94 1cuu n ALA 190 N 0.76 5.61 0.59 -1.18 0.00 -0.98 -4.66 120.51 120.66 1cuu n ALA 190 Ca 0.21 -3.88 0.12 0.00 0.00 0.00 0.00 53.44 49.89 1cuu n ALA 190 Cb 0.75 -1.01 0.17 0.00 0.00 0.00 0.00 19.45 19.35 1cuu n ALA 190 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cuu n TYR 191 N -0.69 0.29 -0.10 0.00 4.01 -1.26 -4.63 117.16 114.79 1cuu n TYR 191 Ca 0.49 -0.15 -0.10 0.00 -0.16 0.00 0.00 57.90 57.99 1cuu n TYR 191 Cb 0.70 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.70 1cuu n TYR 191 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1cuu h GLY 192 N 4.58 -0.48 0.48 2.72 0.00 -1.98 -1.70 103.07 106.68 1cuu h GLY 192 Ca 0.00 0.49 0.10 0.00 0.00 0.00 0.00 47.33 47.93 1cuu h GLY 192 CO 0.00 -0.20 0.48 -2.55 0.00 0.00 0.00 176.54 174.27 1cuu h PRO 193 N -0.34 0.76 -0.62 4.80 0.11 -1.99 -2.08 132.00 132.64 1cuu h PRO 193 Ca 0.14 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 1cuu h PRO 193 Cb 0.58 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 1cuu h PRO 193 CO -0.52 0.50 0.27 -0.44 -0.21 0.00 0.00 178.00 177.60 1cuu h ASP 194 N 0.78 0.83 0.36 -2.05 3.32 -1.70 -1.92 116.42 116.04 1cuu h ASP 194 Ca 0.41 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1cuu h ASP 194 Cb 0.41 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1cuu h ASP 194 CO -0.26 0.76 -0.19 0.00 -1.72 0.00 0.00 179.24 177.83 1cuu h ALA 195 N 1.11 1.38 0.00 3.45 0.00 -0.69 -0.89 119.26 123.61 1cuu h ALA 195 Ca 0.21 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1cuu h ALA 195 Cb 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1cuu h ALA 195 CO -0.02 0.23 -1.08 0.00 0.00 0.00 0.00 179.25 178.38 1cuu h ARG 196 N 0.00 0.00 0.00 0.00 3.08 -0.91 -3.35 114.38 113.20 1cuu h ARG 196 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cuu h ARG 196 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1cuu h ARG 196 CO 0.02 0.74 0.00 0.41 -1.07 0.00 0.00 179.97 180.08 1cuu n GLY 197 N 1.37 0.28 0.39 0.04 0.00 -0.77 -4.82 105.19 101.68 1cuu n GLY 197 Ca -0.04 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.15 1cuu n GLY 197 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cuu h PRO 198 N 0.00 0.44 0.79 1.61 0.13 -1.77 -1.17 132.00 132.04 1cuu h PRO 198 Ca 0.00 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1cuu h PRO 198 Cb 0.00 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 31.04 1cuu h PRO 198 CO 0.00 0.29 -0.38 0.00 -0.23 0.00 0.00 178.00 177.68 1cuu h PRO 200 N -1.17 0.08 -0.33 0.00 0.13 -1.73 -1.64 132.00 127.34 1cuu h PRO 200 Ca -0.11 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1cuu h PRO 200 Cb 0.82 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 1cuu h PRO 200 CO 0.18 0.18 0.15 1.49 -0.23 0.00 0.00 178.00 179.77 1cuu h GLU 201 N 0.08 0.31 -0.08 0.86 4.81 -1.05 0.66 114.58 120.17 1cuu h GLU 201 Ca 0.02 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1cuu h GLU 201 Cb 0.22 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1cuu h GLU 201 CO 0.01 0.20 0.03 0.35 -0.73 0.00 0.00 179.01 178.88 1cuu h PHE 202 N 0.32 0.12 -0.57 0.92 3.57 -0.45 -1.64 116.94 119.21 1cuu h PHE 202 Ca 0.14 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1cuu h PHE 202 Cb 0.07 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1cuu h PHE 202 CO -0.11 0.23 0.38 -0.07 -2.23 0.00 0.00 178.31 176.51 1cuu h LEU 203 N -0.04 0.65 -0.42 0.59 3.38 -1.04 -0.51 115.31 117.92 1cuu h LEU 203 Ca 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1cuu h LEU 203 Cb 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1cuu h LEU 203 CO -0.00 0.47 0.19 0.40 0.09 0.00 0.00 178.44 179.59 1cuu h ILE 204 N 0.77 1.18 -0.52 1.22 2.04 -0.81 -1.48 117.51 119.91 1cuu h ILE 204 Ca 0.21 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1cuu h ILE 204 Cb -0.09 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1cuu h ILE 204 CO -0.05 0.20 0.34 -0.08 0.00 0.00 0.00 178.15 178.57 1cuu h GLU 205 N 0.53 0.68 -0.28 2.37 4.81 -0.95 -0.31 114.58 121.43 1cuu h GLU 205 Ca 0.14 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1cuu h GLU 205 Cb 0.14 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1cuu h GLU 205 CO -0.02 0.45 -0.17 0.87 -0.73 0.00 0.00 179.01 179.42 1cuu h LYS 206 N 0.70 0.50 -0.17 1.92 1.79 -0.87 -0.53 116.57 119.92 1cuu h LYS 206 Ca 0.19 -0.16 -0.09 0.00 -2.18 0.00 0.00 60.65 58.41 1cuu h LYS 206 Cb -0.07 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1cuu h LYS 206 CO -0.05 0.65 -0.25 0.28 -1.08 0.00 0.00 179.45 179.01 1cuu h VAL 207 N 0.46 1.35 0.00 0.50 2.07 -0.83 -3.17 116.25 116.62 1cuu h VAL 207 Ca 0.08 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.06 1cuu h VAL 207 Cb 0.56 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1cuu h VAL 207 CO 0.04 0.44 -0.31 0.03 0.02 0.00 0.00 177.57 177.79 1cuu h ARG 208 N 0.10 0.00 -0.70 1.57 3.08 -0.87 0.23 114.38 117.78 1cuu h ARG 208 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1cuu h ARG 208 Cb 0.82 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 1cuu h ARG 208 CO 0.06 0.31 0.46 0.00 -1.07 0.00 0.00 179.97 179.72 1cuu h ALA 209 N 1.69 1.49 0.00 0.04 0.00 -1.06 0.32 119.26 121.73 1cuu h ALA 209 Ca -0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 1cuu h ALA 209 Cb 0.55 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1cuu h ALA 209 CO 0.04 0.47 -2.18 1.33 0.00 0.00 0.00 179.25 178.91 1cuu n VAL 210 N -4.42 1.17 0.35 0.00 0.24 -1.00 -4.48 118.33 110.19 1cuu n VAL 210 Ca 0.07 -0.78 0.11 0.00 -2.04 0.00 0.00 64.34 61.70 1cuu n VAL 210 Cb 0.04 -0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 31.89 1cuu n VAL 210 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1cuu n ARG 211 N -2.71 0.43 0.00 7.34 1.74 0.03 -5.06 116.66 118.43 1cuu n ARG 211 Ca -0.25 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 1cuu n ARG 211 Cb 1.03 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.87 1cuu n ARG 211 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cuu n GLY 212 N 1.32 1.38 0.00 -0.13 0.00 0.11 -5.02 105.19 102.84 1cuu n GLY 212 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1cuu n GLY 212 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06