#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuq h SER 2 N 0.00 0.00 -4.22 1.61 0.87 -2.11 -3.47 113.55 106.23 2kuq h SER 2 Ca 0.00 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.08 2kuq h SER 2 Cb 0.00 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 61.99 2kuq h SER 2 CO 0.00 0.02 0.38 -0.44 -0.53 0.00 0.00 176.83 176.26 2kuq s SER 3 N -5.73 6.42 0.00 6.23 0.01 -1.26 -4.98 113.70 114.39 2kuq s SER 3 Ca 0.03 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.87 2kuq s SER 3 Cb 0.08 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2kuq s SER 3 CO 0.74 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2kuq n GLY 4 N -1.67 2.36 3.67 3.44 0.00 -1.26 -5.07 105.19 106.66 2kuq n GLY 4 Ca 0.07 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 2kuq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kuq s SER 5 N 0.00 5.05 -1.64 1.61 1.04 -1.26 -4.71 113.70 113.80 2kuq s SER 5 Ca 0.00 0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.42 2kuq s SER 5 Cb 0.00 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.80 2kuq s SER 5 CO 0.00 0.31 0.26 -1.20 0.98 0.00 0.00 173.24 173.59 2kuq n SER 6 N 1.63 -5.81 0.15 7.02 7.64 -1.26 -4.92 113.62 118.08 2kuq n SER 6 Ca -0.16 -0.13 -0.14 0.00 1.01 0.00 0.00 58.87 59.46 2kuq n SER 6 Cb 0.53 -4.78 -0.08 0.00 -1.01 0.00 0.00 64.21 58.87 2kuq n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2kuq h GLY 7 N -0.59 -0.33 -6.24 0.23 0.00 -1.98 -3.42 103.07 90.74 2kuq h GLY 7 Ca -0.50 0.12 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 2kuq h GLY 7 CO 0.56 -0.12 -0.45 1.08 0.00 0.00 0.00 176.54 177.61 2kuq s LEU 8 N -10.10 -0.50 -0.15 3.11 1.43 -1.26 -5.16 118.68 106.04 2kuq s LEU 8 Ca -0.15 0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 53.34 2kuq s LEU 8 Cb 0.05 1.05 0.13 0.00 0.03 0.00 0.00 46.19 47.45 2kuq s LEU 8 CO 0.64 -0.25 1.02 0.54 0.23 0.00 0.00 176.35 178.54 2kuq s ASN 9 N 2.53 -0.33 0.96 2.29 4.22 -1.26 -5.18 114.94 118.15 2kuq s ASN 9 Ca 0.02 0.31 -0.13 0.00 -2.14 0.00 0.00 52.86 50.92 2kuq s ASN 9 Cb -0.13 0.28 0.16 0.00 1.28 0.00 0.00 41.25 42.85 2kuq s ASN 9 CO -0.12 -0.34 1.15 0.00 -2.04 0.00 0.00 177.10 175.74 2kuq s ARG 10 N -1.39 0.77 -0.16 3.55 3.03 -1.26 -5.12 118.95 118.38 2kuq s ARG 10 Ca 0.00 0.21 -0.08 0.00 2.03 0.00 0.00 55.73 57.89 2kuq s ARG 10 Cb -0.01 -1.80 0.06 0.00 -1.03 0.00 0.00 34.95 32.17 2kuq s ARG 10 CO -0.01 -2.43 0.38 0.34 -1.13 0.00 0.00 175.30 172.45 2kuq s ASP 11 N -4.03 -0.45 0.01 -2.89 2.15 -1.26 -5.06 116.67 105.15 2kuq s ASP 11 Ca 0.66 0.82 0.22 0.00 0.43 0.00 0.00 52.55 54.67 2kuq s ASP 11 Cb -0.14 0.71 -0.01 0.00 -0.30 0.00 0.00 42.92 43.18 2kuq s ASP 11 CO 0.54 -0.19 1.01 -1.20 -0.17 0.00 0.00 175.17 175.16 2kuq n SER 12 N 4.29 0.72 -3.18 -0.34 7.64 -1.26 -4.93 113.62 116.56 2kuq n SER 12 Ca -0.23 -0.56 0.04 0.00 1.01 0.00 0.00 58.87 59.13 2kuq n SER 12 Cb 0.55 0.87 -0.02 0.00 -1.01 0.00 0.00 64.21 64.60 2kuq n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kuq s VAL 13 N -3.09 -0.63 0.60 0.44 0.11 -1.26 -5.17 120.40 111.40 2kuq s VAL 13 Ca 0.06 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.92 2kuq s VAL 13 Cb 0.16 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 2kuq s VAL 13 CO 0.82 0.00 1.24 -2.16 -3.33 0.00 0.00 175.10 171.67 2kuq s PRO 14 N 2.88 2.92 0.00 1.54 0.04 -1.26 -4.93 135.00 136.20 2kuq s PRO 14 Ca 0.08 1.90 0.16 0.00 0.04 0.00 0.00 61.00 63.19 2kuq s PRO 14 Cb -0.12 -1.95 0.87 0.00 0.04 0.00 0.00 34.50 33.34 2kuq s PRO 14 CO -0.16 -1.26 1.46 -3.47 0.04 0.00 0.00 177.00 173.61 2kuq n ASP 15 N -1.58 0.00 -1.62 6.66 2.03 -1.26 -3.00 116.55 117.78 2kuq n ASP 15 Ca 0.14 -0.10 0.02 0.00 0.52 0.00 0.00 54.79 55.37 2kuq n ASP 15 Cb 0.49 -0.21 0.02 0.00 -0.72 0.00 0.00 41.12 40.69 2kuq n ASP 15 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kuq n ASN 16 N -1.21 0.79 -4.58 1.67 5.15 -1.26 -5.13 115.26 110.69 2kuq n ASN 16 Ca 0.09 -2.01 -0.58 0.00 -0.60 0.00 0.00 54.58 51.49 2kuq n ASN 16 Cb 0.11 -0.23 -0.07 0.00 -0.53 0.00 0.00 39.78 39.05 2kuq n ASN 16 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2kuq n HIS 17 N 0.27 1.21 0.20 1.20 -0.00 -1.16 -4.92 115.22 112.02 2kuq n HIS 17 Ca 0.02 0.88 0.12 0.00 -0.00 0.00 0.00 57.72 58.73 2kuq n HIS 17 Cb 1.05 -2.22 0.14 0.00 -0.00 0.00 0.00 29.99 28.95 2kuq n HIS 17 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2kuq h PRO 18 N 4.18 0.00 0.00 1.57 0.13 -2.00 -3.40 132.00 132.48 2kuq h PRO 18 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kuq h PRO 18 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2kuq h PRO 18 CO 0.76 0.00 -0.61 0.25 -0.23 0.00 0.00 178.00 178.17 2kuq n THR 19 N -3.02 0.00 -4.20 1.56 -2.24 -1.26 -5.04 114.28 100.08 2kuq n THR 19 Ca 0.03 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.51 2kuq n THR 19 Cb 0.53 0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 68.85 2kuq n THR 19 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kuq s LYS 20 N -1.28 2.46 -0.06 -0.78 1.02 -1.26 -3.31 119.74 116.53 2kuq s LYS 20 Ca 0.00 -0.86 -0.02 0.00 0.02 0.00 0.00 55.97 55.11 2kuq s LYS 20 Cb 0.00 -2.49 0.04 0.00 -0.52 0.00 0.00 37.83 34.86 2kuq s LYS 20 CO 0.00 0.54 0.12 -0.06 -0.92 0.00 0.00 175.35 175.04 2kuq s PHE 21 N -1.24 -0.13 0.22 3.18 0.08 -0.13 -4.63 117.98 115.34 2kuq s PHE 21 Ca 0.23 0.41 -0.32 0.00 0.12 0.00 0.00 56.93 57.38 2kuq s PHE 21 Cb -0.11 -0.10 -0.12 0.00 -0.57 0.00 0.00 43.02 42.11 2kuq s PHE 21 CO 0.16 -0.15 1.71 1.63 -0.10 0.00 0.00 175.22 178.47 2kuq n LYS 22 N 4.14 2.79 -3.97 0.44 4.76 -1.26 -0.88 118.16 124.18 2kuq n LYS 22 Ca -0.26 1.00 -0.09 0.00 -2.87 0.00 0.00 58.31 56.10 2kuq n LYS 22 Cb 0.52 -2.85 -0.10 0.00 -1.84 0.00 0.00 35.03 30.76 2kuq n LYS 22 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2kuq s VAL 23 N 1.01 0.15 -0.09 -0.18 -7.23 -0.35 -4.67 120.40 109.04 2kuq s VAL 23 Ca 0.73 -1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 59.63 2kuq s VAL 23 Cb -0.50 -0.96 0.04 0.00 0.56 0.00 0.00 36.38 35.53 2kuq s VAL 23 CO 0.34 -0.68 0.09 -0.89 -0.31 0.00 0.00 175.10 173.65 2kuq s THR 24 N -2.78 -0.14 0.35 5.32 2.01 -0.91 -0.58 115.64 118.91 2kuq s THR 24 Ca -0.04 0.23 -0.28 0.00 0.31 0.00 0.00 61.69 61.91 2kuq s THR 24 Cb -0.00 -0.32 -0.10 0.00 0.01 0.00 0.00 72.50 72.09 2kuq s THR 24 CO -0.06 0.03 1.33 0.21 -0.69 0.00 0.00 174.62 175.45 2kuq s ASN 25 N 2.19 6.61 0.12 3.53 3.04 -0.80 -0.81 114.94 128.82 2kuq s ASN 25 Ca 0.04 2.74 0.07 0.00 0.04 0.00 0.00 52.86 55.75 2kuq s ASN 25 Cb -0.13 -2.65 -0.04 0.00 -1.54 0.00 0.00 41.25 36.89 2kuq s ASN 25 CO -0.06 -0.65 -0.16 0.68 -3.04 0.00 0.00 177.10 173.87 2kuq s VAL 26 N -1.16 1.47 0.26 -5.21 -7.23 -0.62 -1.34 120.40 106.58 2kuq s VAL 26 Ca 0.51 -1.67 -0.03 0.00 -1.81 0.00 0.00 61.98 58.98 2kuq s VAL 26 Cb -0.40 -1.53 0.06 0.00 0.56 0.00 0.00 36.38 35.06 2kuq s VAL 26 CO 0.54 -0.30 0.36 -0.90 -0.31 0.00 0.00 175.10 174.48 2kuq n ASP 27 N 0.69 0.19 0.11 4.85 5.75 -1.17 -4.67 116.55 122.31 2kuq n ASP 27 Ca -0.17 -1.23 0.11 0.00 -0.01 0.00 0.00 54.79 53.49 2kuq n ASP 27 Cb 0.56 -0.26 0.46 0.00 -1.03 0.00 0.00 41.12 40.85 2kuq n ASP 27 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2kuq n ASP 28 N -3.14 0.55 -0.72 -1.12 5.75 -1.26 -1.51 116.55 115.11 2kuq n ASP 28 Ca 0.05 0.65 0.12 0.00 -0.01 0.00 0.00 54.79 55.60 2kuq n ASP 28 Cb 0.18 -0.76 0.17 0.00 -1.03 0.00 0.00 41.12 39.68 2kuq n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kuq n GLU 29 N -2.12 1.85 -1.04 0.11 -0.58 -1.26 -4.99 120.64 112.62 2kuq n GLU 29 Ca 0.02 -1.45 -0.01 0.00 -0.42 0.00 0.00 57.16 55.30 2kuq n GLU 29 Cb 0.20 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 29.60 2kuq n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kuq n GLY 30 N 1.34 0.52 3.71 0.62 0.00 -0.57 -5.02 105.19 105.78 2kuq n GLY 30 Ca 0.14 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 2kuq n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kuq s VAL 31 N -2.02 4.65 -0.13 1.61 1.01 -1.26 -4.78 120.40 119.48 2kuq s VAL 31 Ca 0.00 1.90 -0.29 0.00 0.00 0.00 0.00 61.98 63.59 2kuq s VAL 31 Cb 0.00 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 2kuq s VAL 31 CO 0.00 0.14 1.92 -1.61 0.00 0.00 0.00 175.10 175.55 2kuq s GLU 32 N 1.10 3.72 -0.20 2.72 2.02 -1.26 -3.02 118.70 123.78 2kuq s GLU 32 Ca 0.54 2.11 -0.16 0.00 0.02 0.00 0.00 54.97 57.47 2kuq s GLU 32 Cb -0.23 -4.18 -0.11 0.00 0.10 0.00 0.00 34.13 29.71 2kuq s GLU 32 CO 0.28 -1.42 -0.12 1.28 0.02 0.00 0.00 175.26 175.30 2kuq n LEU 33 N 9.10 1.88 -3.63 1.80 4.77 -0.45 -5.03 117.00 125.45 2kuq n LEU 33 Ca 0.22 0.44 -0.14 0.00 -0.03 0.00 0.00 56.01 56.51 2kuq n LEU 33 Cb 0.44 -0.87 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 2kuq n LEU 33 CO 0.66 0.07 0.44 -0.83 -1.33 0.00 0.00 177.39 176.41 2kuq s GLY 34 N -4.88 -0.51 0.31 -0.72 0.00 -1.25 -5.02 107.32 95.25 2kuq s GLY 34 Ca -0.28 2.06 -0.13 0.00 0.00 0.00 0.00 44.72 46.37 2kuq s GLY 34 CO 0.45 1.74 0.70 -1.35 0.00 0.00 0.00 173.10 174.64 2kuq s SER 35 N 0.34 6.70 0.10 1.64 1.04 -1.26 -1.90 113.70 120.36 2kuq s SER 35 Ca 0.00 1.17 -0.05 0.00 0.48 0.00 0.00 55.95 57.55 2kuq s SER 35 Cb -0.05 -2.33 0.02 0.00 0.10 0.00 0.00 66.02 63.76 2kuq s SER 35 CO 0.01 -0.21 0.28 0.61 0.98 0.00 0.00 173.24 174.91 2kuq n GLY 36 N -0.47 1.46 2.91 7.32 0.00 0.25 -4.89 105.19 111.78 2kuq n GLY 36 Ca 0.03 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 2kuq n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kuq s VAL 37 N -2.61 1.11 0.16 1.61 1.01 0.38 -1.21 120.40 120.85 2kuq s VAL 37 Ca 0.06 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 2kuq s VAL 37 Cb -0.01 -1.16 -0.08 0.00 0.00 0.00 0.00 36.38 35.13 2kuq s VAL 37 CO 0.03 0.31 0.72 -0.32 0.00 0.00 0.00 175.10 175.84 2kuq s MET 38 N 1.66 4.40 -0.04 2.72 1.75 -0.06 -1.13 119.30 128.60 2kuq s MET 38 Ca 0.04 0.99 -0.02 0.00 -1.25 0.00 0.00 55.69 55.44 2kuq s MET 38 Cb -0.13 -3.14 0.02 0.00 2.84 0.00 0.00 34.83 34.41 2kuq s MET 38 CO -0.08 0.53 0.10 -2.00 -0.65 0.00 0.00 175.02 172.92 2kuq s GLU 39 N -1.38 0.08 -0.15 4.11 2.12 0.31 -0.95 118.70 122.82 2kuq s GLU 39 Ca 0.36 0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.93 2kuq s GLU 39 Cb -0.21 -0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.11 2kuq s GLU 39 CO 0.23 -0.09 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.15 2kuq s LEU 40 N 0.61 2.19 0.42 2.70 1.02 -1.21 -0.23 118.68 124.18 2kuq s LEU 40 Ca -0.05 -0.59 0.07 0.00 0.02 0.00 0.00 54.13 53.59 2kuq s LEU 40 Cb -0.06 -1.48 -0.06 0.00 0.02 0.00 0.00 46.19 44.61 2kuq s LEU 40 CO -0.03 0.06 0.14 0.42 0.02 0.00 0.00 176.35 176.97 2kuq s THR 41 N 0.92 2.17 -1.80 5.49 -4.23 -0.66 -4.96 115.64 112.57 2kuq s THR 41 Ca -0.04 -1.77 0.08 0.00 -1.18 0.00 0.00 61.69 58.78 2kuq s THR 41 Cb -0.15 -2.94 0.21 0.00 1.34 0.00 0.00 72.50 70.95 2kuq s THR 41 CO -0.04 0.00 1.02 0.00 -0.54 0.00 0.00 174.62 175.06 2kuq n GLN 42 N -1.19 0.21 -0.08 3.99 3.00 -1.26 -3.19 117.38 118.86 2kuq n GLN 42 Ca -0.03 0.07 -0.17 0.00 -0.01 0.00 0.00 57.00 56.87 2kuq n GLN 42 Cb 0.65 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.33 2kuq n GLN 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2kuq n SER 43 N -1.10 1.50 -3.57 1.08 7.64 -1.26 -5.12 113.62 112.79 2kuq n SER 43 Ca 0.05 0.15 -0.01 0.00 1.01 0.00 0.00 58.87 60.08 2kuq n SER 43 Cb 0.04 -0.45 0.01 0.00 -1.01 0.00 0.00 64.21 62.80 2kuq n SER 43 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2kuq s GLU 44 N -2.31 0.94 0.01 1.43 -1.05 -1.19 -4.59 118.70 111.93 2kuq s GLU 44 Ca -0.23 -0.58 -0.28 0.00 -0.15 0.00 0.00 54.97 53.72 2kuq s GLU 44 Cb 0.08 0.28 -0.04 0.00 -0.44 0.00 0.00 34.13 34.02 2kuq s GLU 44 CO 0.31 -0.44 0.91 -1.17 0.95 0.00 0.00 175.26 175.82 2kuq s LEU 45 N -3.34 4.39 -0.03 1.83 0.20 -0.81 -1.65 118.68 119.27 2kuq s LEU 45 Ca 0.21 1.58 0.03 0.00 0.69 0.00 0.00 54.13 56.64 2kuq s LEU 45 Cb -0.01 -3.46 -0.00 0.00 -0.43 0.00 0.00 46.19 42.29 2kuq s LEU 45 CO 0.02 -0.17 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.10 2kuq s VAL 46 N 0.69 0.98 -0.20 1.68 1.01 0.68 -1.18 120.40 124.05 2kuq s VAL 46 Ca 0.47 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2kuq s VAL 46 Cb -0.21 -0.85 0.04 0.00 0.00 0.00 0.00 36.38 35.36 2kuq s VAL 46 CO 0.26 0.29 -0.13 -0.22 0.00 0.00 0.00 175.10 175.31 2kuq s LEU 47 N 0.05 2.38 -0.19 3.92 0.20 0.23 -0.53 118.68 124.74 2kuq s LEU 47 Ca -0.02 -0.89 -0.14 0.00 0.69 0.00 0.00 54.13 53.77 2kuq s LEU 47 Cb -0.08 -1.32 -0.04 0.00 -0.43 0.00 0.00 46.19 44.31 2kuq s LEU 47 CO 0.01 -0.12 0.33 -1.00 -0.29 0.00 0.00 176.35 175.28 2kuq s HIS 48 N 1.34 3.40 -0.13 5.38 3.76 -0.29 -1.28 115.29 127.47 2kuq s HIS 48 Ca -0.01 0.56 -0.08 0.00 -0.15 0.00 0.00 55.06 55.39 2kuq s HIS 48 Cb -0.16 -2.42 -0.06 0.00 1.11 0.00 0.00 32.58 31.05 2kuq s HIS 48 CO -0.09 0.10 -0.19 1.28 -0.85 0.00 0.00 174.74 174.99 2kuq n LEU 49 N 4.08 1.13 0.00 0.89 4.77 -1.26 -0.47 117.00 126.13 2kuq n LEU 49 Ca -0.11 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2kuq n LEU 49 Cb 0.51 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2kuq n LEU 49 CO 0.39 0.18 0.00 1.57 -1.33 0.00 0.00 177.39 178.20 2kuq n HIS 50 N -3.72 0.00 0.30 -1.77 -0.00 -1.26 -4.67 115.22 104.09 2kuq n HIS 50 Ca -0.26 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.58 2kuq n HIS 50 Cb 0.64 0.00 0.55 0.00 -0.00 0.00 0.00 29.99 31.18 2kuq n HIS 50 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 2kuq n ARG 51 N 0.00 0.18 -0.64 1.57 1.85 -1.26 -4.78 116.66 113.59 2kuq n ARG 51 Ca 0.00 0.52 -0.31 0.00 -1.00 0.00 0.00 57.85 57.07 2kuq n ARG 51 Cb 0.00 -1.93 0.19 0.00 -1.05 0.00 0.00 32.46 29.67 2kuq n ARG 51 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2kuq n ARG 52 N -2.29 -1.15 -1.77 2.89 1.74 -1.26 -5.00 116.66 109.82 2kuq n ARG 52 Ca 0.01 -0.29 -0.38 0.00 -0.77 0.00 0.00 57.85 56.42 2kuq n ARG 52 Cb 0.15 -2.14 0.05 0.00 -1.02 0.00 0.00 32.46 29.50 2kuq n ARG 52 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kuq s GLU 53 N -4.24 2.97 0.33 5.56 8.01 -1.26 -4.80 118.70 125.27 2kuq s GLU 53 Ca 0.64 2.19 -0.22 0.00 0.01 0.00 0.00 54.97 57.59 2kuq s GLU 53 Cb -0.22 -2.14 -0.10 0.00 -4.31 0.00 0.00 34.13 27.36 2kuq s GLU 53 CO 0.63 -1.31 0.87 0.00 0.01 0.00 0.00 175.26 175.46 2kuq s ALA 54 N -1.33 3.22 -0.22 5.21 0.00 -1.26 -4.72 121.76 122.66 2kuq s ALA 54 Ca 0.75 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.97 2kuq s ALA 54 Cb -0.40 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2kuq s ALA 54 CO 0.45 0.21 0.13 0.08 0.00 0.00 0.00 175.76 176.64 2kuq s VAL 55 N -1.80 5.16 -0.03 0.00 1.01 -0.41 -4.91 120.40 119.43 2kuq s VAL 55 Ca 0.52 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.68 2kuq s VAL 55 Cb -0.14 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2kuq s VAL 55 CO 0.19 0.38 -0.24 -0.13 0.00 0.00 0.00 175.10 175.31 2kuq s ARG 56 N 0.86 2.04 -0.12 2.72 0.52 -1.26 -0.60 118.95 123.10 2kuq s ARG 56 Ca 0.06 -0.85 -0.02 0.00 -0.52 0.00 0.00 55.73 54.40 2kuq s ARG 56 Cb -0.13 -1.91 0.04 0.00 0.52 0.00 0.00 34.95 33.47 2kuq s ARG 56 CO 0.03 0.48 0.01 -1.58 0.02 0.00 0.00 175.30 174.25 2kuq s TRP 57 N -0.46 0.87 0.35 -0.53 0.51 -0.33 -4.71 118.94 114.65 2kuq s TRP 57 Ca 0.06 -0.48 -0.28 0.00 -2.12 0.00 0.00 56.10 53.28 2kuq s TRP 57 Cb -0.10 -0.92 -0.10 0.00 -0.81 0.00 0.00 33.47 31.54 2kuq s TRP 57 CO 0.00 -0.46 1.29 -1.25 -0.51 0.00 0.00 176.95 176.03 2kuq s PRO 58 N 1.91 4.24 0.47 4.98 0.04 -1.26 -1.93 135.00 143.45 2kuq s PRO 58 Ca 0.03 2.17 0.19 0.00 0.04 0.00 0.00 61.00 63.43 2kuq s PRO 58 Cb -0.14 -2.96 1.16 0.00 0.04 0.00 0.00 34.50 32.59 2kuq s PRO 58 CO -0.07 -0.27 2.01 1.88 0.04 0.00 0.00 177.00 180.59 2kuq h TYR 59 N 3.15 0.00 0.00 0.56 0.05 -1.95 -1.11 116.97 117.66 2kuq h TYR 59 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2kuq h TYR 59 Cb 1.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.97 2kuq h TYR 59 CO 0.55 0.17 0.00 1.37 -1.05 0.00 0.00 178.16 179.20 2kuq h LEU 60 N 0.00 0.00 -2.50 3.88 -0.00 -1.95 -2.81 115.31 111.94 2kuq h LEU 60 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kuq h LEU 60 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 2kuq h LEU 60 CO 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.46 2kuq s LEU 62 N -1.30 4.05 0.16 0.00 1.43 -1.06 -1.12 118.68 120.84 2kuq s LEU 62 Ca 0.43 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2kuq s LEU 62 Cb 0.24 -3.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 2kuq s LEU 62 CO 0.33 -0.68 1.36 -0.09 0.23 0.00 0.00 176.35 177.50 2kuq h ARG 63 N 7.90 0.19 -1.88 1.70 2.43 -1.33 -3.43 114.38 119.96 2kuq h ARG 63 Ca -0.22 -0.22 0.21 0.00 -0.81 0.00 0.00 59.98 58.94 2kuq h ARG 63 Cb 1.08 0.06 -0.15 0.00 -0.42 0.00 0.00 29.97 30.55 2kuq h ARG 63 CO 0.94 0.96 0.66 -0.98 -1.51 0.00 0.00 179.97 180.04 2kuq s ARG 64 N -3.17 0.64 -0.01 0.20 1.70 -1.24 -4.81 118.95 112.25 2kuq s ARG 64 Ca -0.03 -0.28 -0.24 0.00 -0.47 0.00 0.00 55.73 54.71 2kuq s ARG 64 Cb 0.10 0.26 0.05 0.00 -0.57 0.00 0.00 34.95 34.79 2kuq s ARG 64 CO 0.83 -0.28 0.53 1.52 -1.08 0.00 0.00 175.30 176.81 2kuq s TYR 65 N -2.79 -0.45 0.15 5.89 -0.85 -0.92 -1.12 117.35 117.25 2kuq s TYR 65 Ca 0.09 0.69 -0.25 0.00 -0.52 0.00 0.00 57.07 57.09 2kuq s TYR 65 Cb -0.00 0.30 0.07 0.00 0.38 0.00 0.00 41.96 42.71 2kuq s TYR 65 CO -0.05 -0.56 0.99 0.20 -1.52 0.00 0.00 175.55 174.62 2kuq s GLY 66 N -1.45 -0.16 0.05 5.49 0.00 0.03 -0.72 107.32 110.57 2kuq s GLY 66 Ca -0.10 0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.56 2kuq s GLY 66 CO 0.05 0.50 0.20 -2.52 0.00 0.00 0.00 173.10 171.33 2kuq s TYR 67 N -2.98 0.06 0.33 1.90 1.13 -1.22 -1.27 117.35 115.31 2kuq s TYR 67 Ca 0.14 -0.33 0.03 0.00 -1.41 0.00 0.00 57.07 55.51 2kuq s TYR 67 Cb -0.01 -0.02 -0.01 0.00 -1.10 0.00 0.00 41.96 40.81 2kuq s TYR 67 CO 0.03 -0.47 0.12 -3.47 -2.51 0.00 0.00 175.55 169.25 2kuq n ASP 68 N 0.48 1.21 0.30 -0.18 -0.08 0.57 -2.78 116.55 116.08 2kuq n ASP 68 Ca -0.18 -2.76 0.17 0.00 -1.51 0.00 0.00 54.79 50.52 2kuq n ASP 68 Cb 0.60 0.82 0.92 0.00 2.34 0.00 0.00 41.12 45.81 2kuq n ASP 68 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2kuq h SER 69 N 1.31 0.00 0.00 1.67 0.87 -2.00 -3.12 113.55 112.28 2kuq h SER 69 Ca -0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2kuq h SER 69 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2kuq h SER 69 CO 0.41 0.04 -0.34 0.59 -0.53 0.00 0.00 176.83 177.00 2kuq n ASN 70 N -3.39 0.00 -3.81 6.23 4.13 -1.26 -4.87 115.26 112.29 2kuq n ASN 70 Ca -0.02 -1.67 -0.13 0.00 1.68 0.00 0.00 54.58 54.44 2kuq n ASN 70 Cb 0.17 -0.13 -0.12 0.00 -1.54 0.00 0.00 39.78 38.15 2kuq n ASN 70 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2kuq s LEU 71 N 0.00 1.30 -0.07 3.41 2.96 -1.18 -1.24 118.68 123.86 2kuq s LEU 71 Ca 0.00 0.35 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2kuq s LEU 71 Cb 0.00 0.58 -0.00 0.00 0.50 0.00 0.00 46.19 47.27 2kuq s LEU 71 CO 0.00 -0.07 -0.20 0.12 -1.32 0.00 0.00 176.35 174.89 2kuq s PHE 72 N 0.17 2.05 0.02 5.38 5.36 -0.05 -0.31 117.98 130.59 2kuq s PHE 72 Ca -0.01 -0.71 -0.08 0.00 -0.96 0.00 0.00 56.93 55.17 2kuq s PHE 72 Cb -0.02 -1.38 0.00 0.00 -0.34 0.00 0.00 43.02 41.28 2kuq s PHE 72 CO -0.00 -0.27 0.16 0.45 -1.46 0.00 0.00 175.22 174.09 2kuq s SER 73 N 0.22 0.06 0.12 6.13 0.15 -0.40 -1.15 113.70 118.83 2kuq s SER 73 Ca -0.10 -0.33 -0.16 0.00 0.70 0.00 0.00 55.95 56.05 2kuq s SER 73 Cb -0.15 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.44 2kuq s SER 73 CO 0.05 -0.48 0.40 0.72 1.20 0.00 0.00 173.24 175.13 2kuq s PHE 74 N -2.12 -0.21 -0.08 3.44 -0.12 -0.87 -0.79 117.98 117.24 2kuq s PHE 74 Ca -0.09 -0.09 0.04 0.00 -0.05 0.00 0.00 56.93 56.74 2kuq s PHE 74 Cb -0.03 0.26 0.00 0.00 -0.63 0.00 0.00 43.02 42.62 2kuq s PHE 74 CO -0.02 -0.69 -0.21 -2.00 -0.05 0.00 0.00 175.22 172.25 2kuq s GLU 75 N -3.72 2.52 0.04 1.99 2.12 -0.28 -1.50 118.70 119.87 2kuq s GLU 75 Ca 0.02 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.63 2kuq s GLU 75 Cb 0.02 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.38 2kuq s GLU 75 CO -0.11 0.18 0.06 -1.54 -0.54 0.00 0.00 175.26 173.30 2kuq s SER 76 N 0.31 5.45 0.62 -1.70 1.04 -0.47 -0.89 113.70 118.06 2kuq s SER 76 Ca -0.14 0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.18 2kuq s SER 76 Cb -0.16 -1.47 -0.03 0.00 0.10 0.00 0.00 66.02 64.46 2kuq s SER 76 CO 0.06 0.22 1.04 -0.83 0.98 0.00 0.00 173.24 174.71 2kuq s GLY 77 N -2.04 1.88 0.63 7.32 0.00 -0.27 -3.76 107.32 111.09 2kuq s GLY 77 Ca 0.25 0.16 0.41 0.00 0.00 0.00 0.00 44.72 45.54 2kuq s GLY 77 CO 0.17 0.46 2.27 0.07 0.00 0.00 0.00 173.10 176.07 2kuq h ARG 78 N 0.02 0.00 -2.39 2.90 0.11 -1.91 -3.34 114.38 109.77 2kuq h ARG 78 Ca -0.45 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.00 2kuq h ARG 78 Cb 1.20 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.15 2kuq h ARG 78 CO 0.59 0.01 1.65 2.89 0.10 0.00 0.00 179.97 185.20 2kuq n ARG 79 N -3.16 3.69 -4.01 0.08 1.85 -1.26 -4.29 116.66 109.56 2kuq n ARG 79 Ca -0.02 -2.93 -0.10 0.00 -1.00 0.00 0.00 57.85 53.80 2kuq n ARG 79 Cb 0.13 -2.44 -0.05 0.00 -1.05 0.00 0.00 32.46 29.05 2kuq n ARG 79 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kuq h GLN 81 N 2.23 1.13 -0.00 0.00 -0.00 -1.90 -1.91 115.11 114.66 2kuq h GLN 81 Ca -0.27 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 2kuq h GLN 81 Cb 1.25 -0.25 0.00 0.00 0.00 0.00 0.00 27.48 28.47 2kuq h GLN 81 CO 0.37 0.74 -0.20 0.25 0.00 0.00 0.00 178.83 180.00 2kuq n THR 82 N -4.47 0.00 -4.41 2.39 -2.24 -1.26 -5.07 114.28 99.22 2kuq n THR 82 Ca 0.14 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2kuq n THR 82 Cb 0.15 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2kuq n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kuq n GLY 83 N 1.36 -1.14 3.71 3.38 0.00 -0.72 -4.78 105.19 107.00 2kuq n GLY 83 Ca 0.11 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 2kuq n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kuq s GLN 84 N 0.00 4.36 0.06 1.61 0.74 -1.26 -4.67 119.66 120.51 2kuq s GLN 84 Ca 0.00 1.94 -0.27 0.00 0.05 0.00 0.00 55.36 57.09 2kuq s GLN 84 Cb 0.00 -3.31 0.09 0.00 1.10 0.00 0.00 33.01 30.90 2kuq s GLN 84 CO 0.00 -0.37 1.17 0.20 -0.55 0.00 0.00 175.29 175.74 2kuq s GLY 85 N 1.13 -0.16 -0.12 2.59 0.00 -1.25 -5.01 107.32 104.49 2kuq s GLY 85 Ca 0.62 0.14 0.03 0.00 0.00 0.00 0.00 44.72 45.52 2kuq s GLY 85 CO 0.30 2.30 -0.22 -0.42 0.00 0.00 0.00 173.10 175.05 2kuq s ILE 86 N -2.36 2.02 -0.04 0.90 1.01 -1.25 -1.36 121.20 120.12 2kuq s ILE 86 Ca 0.20 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.94 2kuq s ILE 86 Cb 0.00 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 2kuq s ILE 86 CO 0.00 0.55 -0.22 -0.36 0.00 0.00 0.00 174.94 174.91 2kuq s PHE 87 N 0.65 2.47 -0.02 3.97 0.08 -0.56 -0.89 117.98 123.67 2kuq s PHE 87 Ca -0.11 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.52 2kuq s PHE 87 Cb -0.16 -1.56 0.01 0.00 -0.57 0.00 0.00 43.02 40.74 2kuq s PHE 87 CO 0.02 0.00 0.06 0.00 -0.10 0.00 0.00 175.22 175.20 2kuq s ALA 88 N -0.56 -0.10 -0.03 5.36 0.00 -1.26 -2.04 121.76 123.13 2kuq s ALA 88 Ca 0.08 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2kuq s ALA 88 Cb -0.11 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2kuq s ALA 88 CO 0.00 -0.06 0.00 -0.06 0.00 0.00 0.00 175.76 175.65 2kuq s PHE 89 N 0.38 0.30 0.20 0.00 0.40 -0.30 -1.58 117.98 117.37 2kuq s PHE 89 Ca -0.03 0.01 -0.30 0.00 -0.60 0.00 0.00 56.93 56.01 2kuq s PHE 89 Cb -0.04 -0.41 -0.08 0.00 0.51 0.00 0.00 43.02 43.00 2kuq s PHE 89 CO -0.01 -0.13 1.20 0.15 0.70 0.00 0.00 175.22 177.13 2kuq s LYS 90 N 1.07 4.49 -0.28 0.44 1.02 0.01 -0.87 119.74 125.62 2kuq s LYS 90 Ca -0.09 1.90 -0.17 0.00 0.02 0.00 0.00 55.97 57.63 2kuq s LYS 90 Cb -0.13 -3.22 0.10 0.00 -0.52 0.00 0.00 37.83 34.05 2kuq s LYS 90 CO -0.02 -0.08 0.78 0.00 -0.92 0.00 0.00 175.35 175.11 2kuq n SER 92 N 3.95 0.58 -0.50 0.00 3.41 -1.26 -3.46 113.62 116.34 2kuq n SER 92 Ca -0.19 0.59 0.06 0.00 -0.26 0.00 0.00 58.87 59.08 2kuq n SER 92 Cb 0.58 -0.74 0.19 0.00 -0.26 0.00 0.00 64.21 63.99 2kuq n SER 92 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kuq n ARG 93 N -2.09 1.56 -0.20 4.33 1.74 -1.26 -4.84 116.66 115.90 2kuq n ARG 93 Ca 0.04 -3.07 0.21 0.00 -0.77 0.00 0.00 57.85 54.26 2kuq n ARG 93 Cb 0.32 -1.61 0.57 0.00 -1.02 0.00 0.00 32.46 30.72 2kuq n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kuq h ALA 94 N 0.73 2.36 -0.28 7.54 0.00 -1.86 0.16 119.26 127.91 2kuq h ALA 94 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2kuq h ALA 94 Cb 1.07 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2kuq h ALA 94 CO 0.04 -0.62 -0.13 1.49 0.00 0.00 0.00 179.25 180.03 2kuq h GLU 95 N 0.28 0.47 -0.09 0.00 4.81 -1.88 -1.49 114.58 116.67 2kuq h GLU 95 Ca 0.43 -0.14 -0.21 0.00 -0.13 0.00 0.00 59.36 59.31 2kuq h GLU 95 Cb 1.23 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2kuq h GLU 95 CO -0.12 0.60 -0.80 0.93 -0.73 0.00 0.00 179.01 178.89 2kuq h GLU 96 N 0.43 0.57 -0.11 1.92 4.39 -1.37 -1.61 114.58 118.81 2kuq h GLU 96 Ca 0.08 -0.50 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 2kuq h GLU 96 Cb 0.49 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2kuq h GLU 96 CO 0.03 1.12 0.06 0.82 -1.16 0.00 0.00 179.01 179.89 2kuq h ILE 97 N 0.38 1.08 -0.49 3.13 2.04 -1.35 -1.07 117.51 121.23 2kuq h ILE 97 Ca -0.05 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.61 2kuq h ILE 97 Cb 1.41 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 2kuq h ILE 97 CO 0.15 0.07 0.29 0.15 0.00 0.00 0.00 178.15 178.81 2kuq h PHE 98 N 0.09 0.54 -0.06 1.37 3.57 -1.24 0.11 116.94 121.33 2kuq h PHE 98 Ca 0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2kuq h PHE 98 Cb 0.06 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 2kuq h PHE 98 CO -0.05 0.31 0.02 -0.91 -2.23 0.00 0.00 178.31 175.45 2kuq h ASN 99 N 0.57 0.08 -0.85 0.41 2.35 -1.23 -2.08 115.58 114.84 2kuq h ASN 99 Ca 0.20 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2kuq h ASN 99 Cb 0.02 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 2kuq h ASN 99 CO -0.09 0.22 0.51 0.25 -1.65 0.00 0.00 177.43 176.67 2kuq h LEU 100 N -0.06 1.02 0.54 1.61 5.85 -1.02 -0.42 115.31 122.83 2kuq h LEU 100 Ca 0.02 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2kuq h LEU 100 Cb 0.16 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2kuq h LEU 100 CO -0.00 0.79 -0.29 0.25 -0.34 0.00 0.00 178.44 178.85 2kuq h LEU 101 N 1.18 -0.71 -1.32 2.25 5.85 -0.88 -0.97 115.31 120.70 2kuq h LEU 101 Ca 0.31 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.99 2kuq h LEU 101 Cb -0.04 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2kuq h LEU 101 CO -0.06 -0.48 -0.34 0.06 -0.34 0.00 0.00 178.44 177.29 2kuq h GLN 102 N -0.77 0.00 0.22 1.25 3.07 -1.11 -2.08 115.11 115.68 2kuq h GLN 102 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 2kuq h GLN 102 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.17 2kuq h GLN 102 CO 0.09 0.34 -0.10 -0.44 0.09 0.00 0.00 178.83 178.81 2kuq h ASP 103 N 0.00 -0.25 0.21 0.06 3.32 -0.98 -2.69 116.42 116.09 2kuq h ASP 103 Ca -0.00 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2kuq h ASP 103 Cb 0.63 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 2kuq h ASP 103 CO 0.04 0.04 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.47 2kuq h LEU 104 N -0.54 0.00 0.00 1.55 3.38 -1.01 -0.67 115.31 118.01 2kuq h LEU 104 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kuq h LEU 104 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2kuq h LEU 104 CO 0.05 0.06 -0.11 0.23 0.09 0.00 0.00 178.44 178.76 2kuq n MET 105 N -3.65 0.08 -0.01 1.13 2.81 -0.80 -3.73 117.12 112.95 2kuq n MET 105 Ca -0.02 0.06 0.07 0.00 -1.81 0.00 0.00 57.70 55.99 2kuq n MET 105 Cb 0.17 -1.59 -0.10 0.00 -0.71 0.00 0.00 33.22 30.99 2kuq n MET 105 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kuq n GLN 106 N -1.73 0.64 -1.68 0.03 10.64 -0.48 -4.95 117.38 119.85 2kuq n GLN 106 Ca 0.06 -0.11 -0.45 0.00 -1.83 0.00 0.00 57.00 54.67 2kuq n GLN 106 Cb 0.37 -1.30 -0.03 0.00 -0.86 0.00 0.00 30.24 28.41 2kuq n GLN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kuq n ASN 108 N 2.74 -5.94 -4.02 0.00 2.85 -1.26 -5.00 115.26 104.63 2kuq n ASN 108 Ca 0.14 -0.21 -0.09 0.00 -0.11 0.00 0.00 54.58 54.31 2kuq n ASN 108 Cb 0.31 -4.81 -0.08 0.00 1.24 0.00 0.00 39.78 36.43 2kuq n ASN 108 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2kuq s SER 109 N -2.55 0.16 -0.02 1.20 0.15 -1.11 -5.18 113.70 106.36 2kuq s SER 109 Ca 0.21 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.90 2kuq s SER 109 Cb -0.09 0.37 0.02 0.00 -1.71 0.00 0.00 66.02 64.61 2kuq s SER 109 CO 0.26 -0.80 0.01 -0.63 1.20 0.00 0.00 173.24 173.28 2kuq s ILE 110 N -3.98 0.04 -0.02 6.45 1.01 -1.26 -5.03 121.20 118.41 2kuq s ILE 110 Ca 0.18 0.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.76 2kuq s ILE 110 Cb 0.05 -0.14 0.04 0.00 0.01 0.00 0.00 42.46 42.42 2kuq s ILE 110 CO -0.01 0.09 0.41 0.54 0.00 0.00 0.00 174.94 175.97 2kuq s ASN 111 N 0.85 -0.31 -0.25 3.58 4.22 -1.26 -5.08 114.94 116.69 2kuq s ASN 111 Ca -0.08 0.24 0.13 0.00 -2.14 0.00 0.00 52.86 51.02 2kuq s ASN 111 Cb -0.11 0.37 0.58 0.00 1.28 0.00 0.00 41.25 43.38 2kuq s ASN 111 CO -0.02 -0.50 1.54 1.33 -2.04 0.00 0.00 177.10 177.41 2kuq n VAL 112 N 1.15 2.53 -1.36 3.54 0.24 -1.26 -4.84 118.33 118.33 2kuq n VAL 112 Ca -0.21 -2.04 -0.29 0.00 -2.04 0.00 0.00 64.34 59.76 2kuq n VAL 112 Cb 0.56 -0.30 -0.08 0.00 -1.47 0.00 0.00 33.84 32.56 2kuq n VAL 112 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2kuq n MET 113 N -0.58 3.11 -0.27 7.34 2.81 -1.26 -4.79 117.12 123.48 2kuq n MET 113 Ca 0.30 -2.06 0.00 0.00 -1.81 0.00 0.00 57.70 54.13 2kuq n MET 113 Cb 1.06 -2.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 2kuq n MET 113 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2kuq n GLU 114 N 2.48 0.92 -3.72 0.03 0.28 -1.26 -4.80 120.64 114.57 2kuq n GLU 114 Ca 0.60 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.46 2kuq n GLU 114 Cb 0.51 -1.04 -0.08 0.00 1.43 0.00 0.00 31.44 32.26 2kuq n GLU 114 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2kuq s GLU 115 N 0.13 0.76 0.41 3.44 -1.05 -1.26 -5.17 118.70 115.97 2kuq s GLU 115 Ca 0.00 -0.22 -0.22 0.00 -0.15 0.00 0.00 54.97 54.38 2kuq s GLU 115 Cb 0.00 0.34 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 2kuq s GLU 115 CO 0.00 -0.23 0.97 -1.25 0.95 0.00 0.00 175.26 175.71 2kuq s PRO 116 N -1.65 4.23 -0.04 -4.83 0.04 -1.26 -5.08 135.00 126.41 2kuq s PRO 116 Ca -0.11 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 2kuq s PRO 116 Cb -0.03 -2.33 0.03 0.00 0.04 0.00 0.00 34.50 32.21 2kuq s PRO 116 CO 0.03 -0.04 0.09 0.08 0.04 0.00 0.00 177.00 177.19 2kuq s VAL 117 N -1.98 -0.05 -0.08 -0.36 1.01 -1.26 -5.15 120.40 112.53 2kuq s VAL 117 Ca 0.60 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 2kuq s VAL 117 Cb -0.13 -0.16 0.03 0.00 0.00 0.00 0.00 36.38 36.12 2kuq s VAL 117 CO 0.18 0.08 0.01 -0.63 0.00 0.00 0.00 175.10 174.73 2kuq s ILE 118 N 1.08 0.37 -0.12 2.22 1.09 -1.26 -4.96 121.20 119.63 2kuq s ILE 118 Ca -0.09 0.09 0.01 0.00 -1.10 0.00 0.00 60.65 59.57 2kuq s ILE 118 Cb -0.12 -0.55 0.02 0.00 -1.06 0.00 0.00 42.46 40.74 2kuq s ILE 118 CO -0.04 0.23 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.24 2kuq s ILE 119 N 1.97 1.54 0.00 2.92 -1.09 -1.26 -5.02 121.20 120.26 2kuq s ILE 119 Ca 0.05 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.81 2kuq s ILE 119 Cb -0.13 -1.41 0.00 0.00 -1.58 0.00 0.00 42.46 39.34 2kuq s ILE 119 CO -0.05 0.45 0.51 0.35 -1.23 0.00 0.00 174.94 174.97 2kuq n THR 120 N 4.31 0.25 0.38 2.92 -2.24 -1.26 -4.73 114.28 113.91 2kuq n THR 120 Ca -0.19 -0.43 0.14 0.00 -2.27 0.00 0.00 64.05 61.30 2kuq n THR 120 Cb 0.51 1.10 0.47 0.00 -2.10 0.00 0.00 70.33 70.31 2kuq n THR 120 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2kuq h SER 121 N 0.00 0.00 0.00 3.42 4.64 -2.08 -3.49 113.55 116.04 2kuq h SER 121 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kuq h SER 121 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2kuq h SER 121 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2kuq n GLY 122 N 0.50 1.97 3.72 -0.77 0.00 -1.26 -4.95 105.19 104.40 2kuq n GLY 122 Ca 0.03 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 2kuq n GLY 122 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kuq s SER 123 N -4.00 -0.30 -0.07 1.61 0.15 -1.26 -5.19 113.70 104.64 2kuq s SER 123 Ca 0.00 -0.38 -0.04 0.00 0.70 0.00 0.00 55.95 56.23 2kuq s SER 123 Cb 0.00 0.60 0.04 0.00 -1.71 0.00 0.00 66.02 64.94 2kuq s SER 123 CO 0.00 -1.07 0.17 -0.44 1.20 0.00 0.00 173.24 173.09 2kuq s SER 124 N -2.85 -0.15 0.00 5.45 0.01 -1.26 -5.07 113.70 109.83 2kuq s SER 124 Ca 0.09 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.69 2kuq s SER 124 Cb -0.03 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.44 2kuq s SER 124 CO 0.01 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2kuq n GLY 125 N 4.03 3.46 3.31 3.44 0.00 -1.26 -5.18 105.19 113.00 2kuq n GLY 125 Ca -0.24 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 2kuq n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kuq s SER 126 N 0.00 -0.50 0.06 1.61 0.01 -1.26 -5.08 113.70 108.54 2kuq s SER 126 Ca 0.00 0.90 -0.28 0.00 1.31 0.00 0.00 55.95 57.89 2kuq s SER 126 Cb 0.00 0.85 0.09 0.00 0.21 0.00 0.00 66.02 67.17 2kuq s SER 126 CO 0.00 -0.17 1.03 -0.44 0.41 0.00 0.00 173.24 174.06 2kuq s SER 127 N 0.81 -0.19 0.00 2.44 0.01 -1.26 -5.14 113.70 110.37 2kuq s SER 127 Ca -0.05 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2kuq s SER 127 Cb -0.06 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2kuq s SER 127 CO -0.06 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2kuq n GLY 128 N -0.39 0.64 2.18 3.44 0.00 -1.26 -5.09 105.19 104.71 2kuq n GLY 128 Ca -0.07 -1.10 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 2kuq n GLY 128 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kuq n SER 129 N 0.00 -1.30 -4.66 1.61 2.88 -1.26 -5.14 113.62 105.75 2kuq n SER 129 Ca 0.00 -1.94 -0.42 0.00 -1.33 0.00 0.00 58.87 55.17 2kuq n SER 129 Cb 0.00 2.18 -0.03 0.00 -0.75 0.00 0.00 64.21 65.62 2kuq n SER 129 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kuq s SER 130 N -2.21 6.71 0.01 -3.46 0.01 -1.26 -4.83 113.70 108.67 2kuq s SER 130 Ca 0.10 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.41 2kuq s SER 130 Cb -0.03 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2kuq s SER 130 CO 0.07 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.41 2kuq n GLY 131 N 4.06 -1.45 3.16 3.44 0.00 -1.26 -4.99 105.19 108.15 2kuq n GLY 131 Ca 0.17 -1.30 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 2kuq n GLY 131 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kuq s SER 132 N -4.00 -0.13 0.00 1.61 0.01 -1.26 -5.07 113.70 104.86 2kuq s SER 132 Ca 0.00 0.10 0.30 0.00 1.31 0.00 0.00 55.95 57.66 2kuq s SER 132 Cb 0.00 0.33 1.77 0.00 0.21 0.00 0.00 66.02 68.33 2kuq s SER 132 CO 0.00 -0.31 2.13 -1.20 0.41 0.00 0.00 173.24 174.26 2kuq n SER 133 N 1.83 0.00 0.00 2.44 7.64 -1.26 -4.86 113.62 119.40 2kuq n SER 133 Ca -0.19 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 58.84 2kuq n SER 133 Cb 0.56 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2kuq n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kuq n GLY 134 N 0.94 -1.50 3.75 0.23 0.00 -1.26 -5.14 105.19 102.21 2kuq n GLY 134 Ca 0.22 0.74 -0.42 0.00 0.00 0.00 0.00 46.02 46.56 2kuq n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kuq n LEU 135 N 0.00 4.44 -4.63 0.99 4.77 -1.26 -4.96 117.00 116.34 2kuq n LEU 135 Ca 0.00 1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 56.74 2kuq n LEU 135 Cb 0.00 -1.59 -0.02 0.00 -2.33 0.00 0.00 43.42 39.48 2kuq n LEU 135 CO 0.00 0.06 0.97 0.12 -1.33 0.00 0.00 177.39 177.21 2kuq s PHE 136 N -0.69 3.11 -0.19 -1.77 2.19 -1.26 -4.91 117.98 114.46 2kuq s PHE 136 Ca 0.58 1.15 -0.27 0.00 0.33 0.00 0.00 56.93 58.71 2kuq s PHE 136 Cb -0.50 -3.76 -0.00 0.00 -1.31 0.00 0.00 43.02 37.44 2kuq s PHE 136 CO 0.58 -0.84 0.94 1.03 1.83 0.00 0.00 175.22 178.76 2kuq s ARG 137 N 3.74 4.29 0.38 10.12 0.52 -1.26 -4.63 118.95 132.10 2kuq s ARG 137 Ca 0.46 1.20 -0.19 0.00 -0.52 0.00 0.00 55.73 56.69 2kuq s ARG 137 Cb -0.12 -3.60 -0.10 0.00 0.52 0.00 0.00 34.95 31.65 2kuq s ARG 137 CO 0.17 -0.47 0.86 -0.51 0.02 0.00 0.00 175.30 175.37 2kuq s LEU 138 N 2.63 4.02 0.20 2.53 1.43 -0.07 -4.90 118.68 124.52 2kuq s LEU 138 Ca 0.42 1.53 0.10 0.00 -1.03 0.00 0.00 54.13 55.15 2kuq s LEU 138 Cb -0.16 -4.30 -0.01 0.00 0.03 0.00 0.00 46.19 41.75 2kuq s LEU 138 CO 0.10 -0.27 1.39 0.03 0.23 0.00 0.00 176.35 177.83 2kuq h ARG 139 N 2.16 0.00 -4.69 1.70 3.08 -1.97 -3.32 114.38 111.33 2kuq h ARG 139 Ca -0.48 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.31 2kuq h ARG 139 Cb 1.18 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.06 2kuq h ARG 139 CO 0.63 0.79 -0.71 -1.01 -1.07 0.00 0.00 179.97 178.60 2kuq s HIS 140 N -2.95 0.87 -0.21 3.04 3.76 -1.26 -4.98 115.29 113.55 2kuq s HIS 140 Ca 0.01 -0.74 -0.24 0.00 -0.15 0.00 0.00 55.06 53.94 2kuq s HIS 140 Cb 0.10 -0.50 -0.01 0.00 1.11 0.00 0.00 32.58 33.28 2kuq s HIS 140 CO 0.79 -0.10 0.77 0.12 -0.85 0.00 0.00 174.74 175.47 2kuq s PHE 141 N -2.74 3.35 -0.11 1.40 5.36 -1.26 -4.98 117.98 118.99 2kuq s PHE 141 Ca 0.04 1.10 0.16 0.00 -0.96 0.00 0.00 56.93 57.27 2kuq s PHE 141 Cb -0.01 -2.97 -0.13 0.00 -0.34 0.00 0.00 43.02 39.57 2kuq s PHE 141 CO -0.02 -0.31 0.88 -1.00 -1.46 0.00 0.00 175.22 173.31 2kuq h PRO 142 N 7.57 0.00 -6.51 10.12 0.13 -1.98 -3.47 132.00 137.86 2kuq h PRO 142 Ca -0.27 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.34 2kuq h PRO 142 Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 2kuq h PRO 142 CO 0.83 0.34 0.22 0.00 -0.23 0.00 0.00 178.00 179.16 2kuq h GLY 144 N 4.74 0.82 -5.84 0.00 0.00 -1.91 -3.39 103.07 97.49 2kuq h GLY 144 Ca -0.46 -1.29 -0.72 0.00 0.00 0.00 0.00 47.33 44.87 2kuq h GLY 144 CO 0.68 1.14 2.87 0.70 0.00 0.00 0.00 176.54 181.93 2kuq n ASN 145 N -3.92 6.02 -4.77 0.19 3.02 -1.12 -4.97 115.26 109.72 2kuq n ASN 145 Ca -0.09 -2.91 -0.41 0.00 -0.03 0.00 0.00 54.58 51.14 2kuq n ASN 145 Cb 0.81 -1.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.42 2kuq n ASN 145 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2kuq s VAL 146 N 1.44 2.75 0.03 2.41 1.01 -1.26 -3.39 120.40 123.38 2kuq s VAL 146 Ca 0.51 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 63.17 2kuq s VAL 146 Cb 0.14 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2kuq s VAL 146 CO -0.06 0.17 0.11 0.21 0.00 0.00 0.00 175.10 175.53 2kuq s ASN 147 N -0.39 0.12 -0.09 3.32 2.47 0.10 -4.98 114.94 115.49 2kuq s ASN 147 Ca 0.50 -0.41 0.02 0.00 0.42 0.00 0.00 52.86 53.39 2kuq s ASN 147 Cb -0.40 0.22 0.01 0.00 -1.45 0.00 0.00 41.25 39.64 2kuq s ASN 147 CO 0.51 -0.45 -0.13 -0.31 -3.72 0.00 0.00 177.10 173.00 2kuq s TYR 148 N -2.13 1.68 0.00 0.43 1.51 -1.26 -2.17 117.35 115.42 2kuq s TYR 148 Ca -0.09 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.25 2kuq s TYR 148 Cb -0.04 -1.24 0.00 0.00 -0.11 0.00 0.00 41.96 40.57 2kuq s TYR 148 CO -0.02 -0.39 0.00 0.41 -1.11 0.00 0.00 175.55 174.44 2kuq n GLY 149 N 4.10 0.36 3.73 0.71 0.00 -1.26 -5.06 105.19 107.76 2kuq n GLY 149 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2kuq n GLY 149 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kuq s TYR 150 N 1.13 2.05 0.03 1.61 1.51 -1.26 -5.04 117.35 117.37 2kuq s TYR 150 Ca 0.00 1.51 -0.01 0.00 -1.01 0.00 0.00 57.07 57.56 2kuq s TYR 150 Cb 0.00 -3.66 0.00 0.00 -0.11 0.00 0.00 41.96 38.19 2kuq s TYR 150 CO 0.00 -2.90 0.06 0.00 -1.11 0.00 0.00 175.55 171.60 2kuq n GLN 151 N -2.10 0.08 -3.79 -0.62 -0.00 -1.26 -4.96 117.38 104.74 2kuq n GLN 151 Ca 0.15 -0.19 -0.13 0.00 -0.00 0.00 0.00 57.00 56.84 2kuq n GLN 151 Cb 0.48 0.22 -0.12 0.00 -0.00 0.00 0.00 30.24 30.83 2kuq n GLN 151 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2kuq s GLN 152 N -2.02 0.30 0.00 2.61 2.00 -1.26 -5.19 119.66 116.09 2kuq s GLN 152 Ca 0.02 0.30 0.00 0.00 -2.00 0.00 0.00 55.36 53.67 2kuq s GLN 152 Cb -0.00 0.14 0.00 0.00 0.80 0.00 0.00 33.01 33.95 2kuq s GLN 152 CO 0.01 -0.04 0.26 0.00 -0.50 0.00 0.00 175.29 175.02