#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuq s SER 2 N 0.00 -0.13 0.09 1.61 0.01 -1.26 -5.16 113.70 108.86 2kuq s SER 2 Ca 0.00 -0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.03 2kuq s SER 2 Cb 0.00 0.28 -0.07 0.00 0.21 0.00 0.00 66.02 66.44 2kuq s SER 2 CO 0.00 -0.43 0.66 -0.55 0.41 0.00 0.00 173.24 173.33 2kuq s SER 3 N -1.37 7.18 0.82 2.44 0.15 -1.26 -5.10 113.70 116.57 2kuq s SER 3 Ca -0.14 1.40 -0.05 0.00 0.70 0.00 0.00 55.95 57.86 2kuq s SER 3 Cb -0.06 -2.42 0.11 0.00 -1.71 0.00 0.00 66.02 61.94 2kuq s SER 3 CO 0.03 0.21 0.67 0.61 1.20 0.00 0.00 173.24 175.96 2kuq n GLY 4 N 1.83 -0.49 3.63 9.45 0.00 -1.26 -5.14 105.19 113.21 2kuq n GLY 4 Ca -0.08 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 2kuq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kuq s SER 5 N -3.53 -0.80 -0.28 1.61 0.15 -1.26 -5.15 113.70 104.45 2kuq s SER 5 Ca 0.40 1.44 -0.29 0.00 0.70 0.00 0.00 55.95 58.20 2kuq s SER 5 Cb -0.02 1.42 0.01 0.00 -1.71 0.00 0.00 66.02 65.73 2kuq s SER 5 CO 0.27 -0.24 1.07 -0.44 1.20 0.00 0.00 173.24 175.10 2kuq s SER 6 N 0.79 6.99 0.21 5.45 0.01 -1.26 -4.95 113.70 120.95 2kuq s SER 6 Ca -0.03 1.19 0.05 0.00 1.31 0.00 0.00 55.95 58.47 2kuq s SER 6 Cb -0.05 -2.54 0.17 0.00 0.21 0.00 0.00 66.02 63.81 2kuq s SER 6 CO -0.06 -0.80 1.50 1.23 0.41 0.00 0.00 173.24 175.52 2kuq h GLY 7 N 9.84 0.20 -3.40 3.44 0.00 -2.08 -3.47 103.07 107.60 2kuq h GLY 7 Ca -0.20 -0.29 0.10 0.00 0.00 0.00 0.00 47.33 46.94 2kuq h GLY 7 CO 1.01 0.25 0.47 0.48 0.00 0.00 0.00 176.54 178.76 2kuq s LEU 8 N -7.68 -0.38 -0.07 3.11 2.34 -1.26 -5.18 118.68 109.56 2kuq s LEU 8 Ca -0.03 0.03 -0.05 0.00 0.06 0.00 0.00 54.13 54.14 2kuq s LEU 8 Cb 0.11 2.06 0.02 0.00 -0.56 0.00 0.00 46.19 47.83 2kuq s LEU 8 CO 0.80 -0.63 0.17 0.20 -1.06 0.00 0.00 176.35 175.84 2kuq s ASN 9 N -2.41 -0.17 -0.34 1.48 -0.87 -1.26 -5.08 114.94 106.28 2kuq s ASN 9 Ca 0.04 0.35 0.14 0.00 -1.57 0.00 0.00 52.86 51.82 2kuq s ASN 9 Cb -0.01 0.33 0.42 0.00 -0.02 0.00 0.00 41.25 41.97 2kuq s ASN 9 CO -0.08 -0.08 1.46 -2.11 -2.57 0.00 0.00 177.10 173.71 2kuq n ARG 10 N 3.28 1.38 -3.77 -0.60 1.85 -1.26 -5.12 116.66 112.41 2kuq n ARG 10 Ca -0.16 -1.60 -0.13 0.00 -1.00 0.00 0.00 57.85 54.96 2kuq n ARG 10 Cb 0.57 0.10 -0.09 0.00 -1.05 0.00 0.00 32.46 32.00 2kuq n ARG 10 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2kuq s ASP 11 N -1.47 -0.18 0.48 2.89 -1.08 -1.26 -5.08 116.67 110.97 2kuq s ASP 11 Ca 0.13 0.07 0.31 0.00 -0.52 0.00 0.00 52.55 52.54 2kuq s ASP 11 Cb 0.43 0.31 1.17 0.00 -1.46 0.00 0.00 42.92 43.37 2kuq s ASP 11 CO -0.11 -0.44 1.89 -1.28 0.52 0.00 0.00 175.17 175.75 2kuq h SER 12 N 3.92 0.00 -3.48 -0.34 0.87 -2.08 -3.43 113.55 109.01 2kuq h SER 12 Ca -0.30 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.66 2kuq h SER 12 Cb 1.18 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.03 2kuq h SER 12 CO 0.40 0.00 0.12 -0.69 -0.53 0.00 0.00 176.83 176.13 2kuq s VAL 13 N -3.54 5.01 0.75 2.23 1.01 -1.26 -5.06 120.40 119.54 2kuq s VAL 13 Ca 0.03 1.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.99 2kuq s VAL 13 Cb 0.09 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2kuq s VAL 13 CO 0.53 0.06 1.09 -2.16 0.00 0.00 0.00 175.10 174.63 2kuq s PRO 14 N 2.31 2.38 0.00 2.72 0.04 -1.26 -4.97 135.00 136.22 2kuq s PRO 14 Ca 0.26 1.21 0.26 0.00 0.04 0.00 0.00 61.00 62.77 2kuq s PRO 14 Cb -0.16 -1.91 1.27 0.00 0.04 0.00 0.00 34.50 33.74 2kuq s PRO 14 CO 0.09 -1.56 1.87 -0.40 0.04 0.00 0.00 177.00 177.04 2kuq n ASP 15 N -3.29 0.00 -0.70 6.66 5.75 -1.26 -3.67 116.55 120.04 2kuq n ASP 15 Ca 0.09 0.06 0.05 0.00 -0.01 0.00 0.00 54.79 54.98 2kuq n ASP 15 Cb 0.53 -0.34 0.08 0.00 -1.03 0.00 0.00 41.12 40.36 2kuq n ASP 15 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2kuq n ASN 16 N -1.34 1.15 -4.66 -1.12 5.15 -1.26 -5.09 115.26 108.09 2kuq n ASN 16 Ca 0.11 -2.64 -0.49 0.00 -0.60 0.00 0.00 54.58 50.96 2kuq n ASN 16 Cb 0.23 -0.35 -0.05 0.00 -0.53 0.00 0.00 39.78 39.09 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 -0.42 2.16 0.90 1.20 -0.00 -1.24 -4.92 115.22 112.89 2kuq n HIS 17 Ca 0.09 0.26 0.13 0.00 0.46 0.00 0.00 57.72 58.67 2kuq n HIS 17 Cb 0.81 -2.54 0.48 0.00 -0.12 0.00 0.00 29.99 28.62 2kuq n HIS 17 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2kuq n PRO 18 N 4.45 0.07 0.00 1.57 -0.04 -1.26 -4.47 135.00 135.32 2kuq n PRO 18 Ca 0.20 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2kuq n PRO 18 Cb 0.26 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 2kuq n PRO 18 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kuq n THR 19 N -1.69 0.00 -2.90 0.52 -2.24 -1.26 -5.03 114.28 101.68 2kuq n THR 19 Ca 0.06 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.45 2kuq n THR 19 Cb 0.36 -0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.71 4.67 -0.06 -0.78 3.01 -1.26 -4.02 119.74 119.59 2kuq s LYS 20 Ca 0.00 1.27 -0.01 0.00 -1.01 0.00 0.00 55.97 56.23 2kuq s LYS 20 Cb 0.00 -3.26 0.03 0.00 -1.01 0.00 0.00 37.83 33.59 2kuq s LYS 20 CO 0.00 0.55 -0.01 -0.06 0.51 0.00 0.00 175.35 176.34 2kuq s PHE 21 N -1.17 0.59 0.13 3.18 0.08 -0.44 -4.63 117.98 115.71 2kuq s PHE 21 Ca 0.38 -0.12 -0.31 0.00 0.12 0.00 0.00 56.93 56.99 2kuq s PHE 21 Cb -0.24 -0.68 -0.09 0.00 -0.57 0.00 0.00 43.02 41.44 2kuq s PHE 21 CO 0.28 -0.25 1.50 0.15 -0.10 0.00 0.00 175.22 176.80 2kuq s LYS 22 N 1.57 4.26 0.06 0.44 3.01 -1.26 -0.63 119.74 127.18 2kuq s LYS 22 Ca -0.01 2.23 0.01 0.00 -1.01 0.00 0.00 55.97 57.19 2kuq s LYS 22 Cb -0.13 -3.25 -0.03 0.00 -1.01 0.00 0.00 37.83 33.41 2kuq s LYS 22 CO -0.03 -0.55 -0.06 0.14 0.51 0.00 0.00 175.35 175.36 2kuq s VAL 23 N 1.32 0.47 -0.13 3.17 -7.23 -0.20 -4.70 120.40 113.10 2kuq s VAL 23 Ca 0.68 -1.52 -0.03 0.00 -1.81 0.00 0.00 61.98 59.30 2kuq s VAL 23 Cb -0.40 -1.15 0.05 0.00 0.56 0.00 0.00 36.38 35.44 2kuq s VAL 23 CO 0.31 -0.71 0.04 -0.89 -0.31 0.00 0.00 175.10 173.54 2kuq s THR 24 N -2.74 0.27 0.36 5.32 2.01 -1.00 -1.19 115.64 118.66 2kuq s THR 24 Ca 0.01 -0.13 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 2kuq s THR 24 Cb -0.01 -0.66 -0.10 0.00 0.01 0.00 0.00 72.50 71.74 2kuq s THR 24 CO -0.04 -0.02 1.28 0.21 -0.69 0.00 0.00 174.62 175.36 2kuq s ASN 25 N 1.99 6.62 0.13 3.53 3.04 -0.51 -0.79 114.94 128.95 2kuq s ASN 25 Ca 0.02 2.63 0.06 0.00 0.04 0.00 0.00 52.86 55.61 2kuq s ASN 25 Cb -0.15 -2.64 -0.04 0.00 -1.54 0.00 0.00 41.25 36.88 2kuq s ASN 25 CO -0.07 -0.63 -0.13 0.68 -3.04 0.00 0.00 177.10 173.91 2kuq s VAL 26 N -1.21 1.28 0.32 -5.21 -7.23 -0.80 -1.21 120.40 106.34 2kuq s VAL 26 Ca 0.52 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.88 2kuq s VAL 26 Cb -0.38 -1.57 0.07 0.00 0.56 0.00 0.00 36.38 35.06 2kuq s VAL 26 CO 0.50 -0.48 0.44 -0.90 -0.31 0.00 0.00 175.10 174.34 2kuq n ASP 27 N 0.41 0.21 0.00 4.85 5.75 -1.12 -4.70 116.55 121.95 2kuq n ASP 27 Ca -0.15 -1.27 0.10 0.00 -0.01 0.00 0.00 54.79 53.47 2kuq n ASP 27 Cb 0.58 -0.32 0.47 0.00 -1.03 0.00 0.00 41.12 40.82 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 -3.18 0.00 -0.72 -1.12 5.75 -1.26 -1.52 116.55 114.50 2kuq n ASP 28 Ca 0.06 0.22 0.11 0.00 -0.01 0.00 0.00 54.79 55.18 2kuq n ASP 28 Cb 0.21 -0.38 0.05 0.00 -1.03 0.00 0.00 41.12 39.97 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 -1.38 1.77 -1.02 0.11 -0.58 -1.26 -5.00 120.64 113.28 2kuq n GLU 29 Ca 0.07 -1.46 -0.01 0.00 -0.42 0.00 0.00 57.16 55.35 2kuq n GLU 29 Cb 0.19 -1.44 -0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 1.33 0.47 3.71 0.62 0.00 -0.58 -5.03 105.19 105.71 2kuq n GLY 30 Ca 0.11 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.00 4.66 -0.08 1.61 1.01 -1.26 -4.78 120.40 119.55 2kuq s VAL 31 Ca 0.00 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.59 2kuq s VAL 31 Cb 0.00 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 2kuq s VAL 31 CO 0.00 0.15 1.71 -1.61 0.00 0.00 0.00 175.10 175.35 2kuq s GLU 32 N 1.02 4.06 -0.23 2.72 2.02 -1.26 -2.80 118.70 124.22 2kuq s GLU 32 Ca 0.54 2.14 -0.16 0.00 0.02 0.00 0.00 54.97 57.50 2kuq s GLU 32 Cb -0.23 -4.03 -0.11 0.00 0.10 0.00 0.00 34.13 29.85 2kuq s GLU 32 CO 0.28 -1.00 -0.25 1.28 0.02 0.00 0.00 175.26 175.59 2kuq n LEU 33 N 7.64 1.93 -3.54 1.80 4.77 -0.35 -5.02 117.00 124.22 2kuq n LEU 33 Ca 0.18 0.37 -0.17 0.00 -0.03 0.00 0.00 56.01 56.37 2kuq n LEU 33 Cb 0.43 -0.83 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 2kuq n LEU 33 CO 0.64 0.25 0.43 -0.83 -1.33 0.00 0.00 177.39 176.55 2kuq s GLY 34 N -5.17 -0.56 0.27 -0.72 0.00 -1.25 -5.02 107.32 94.87 2kuq s GLY 34 Ca -0.33 1.40 -0.05 0.00 0.00 0.00 0.00 44.72 45.74 2kuq s GLY 34 CO 0.47 1.06 0.54 -1.35 0.00 0.00 0.00 173.10 173.81 2kuq s SER 35 N -0.96 6.47 0.27 1.64 1.04 -1.26 -1.42 113.70 119.47 2kuq s SER 35 Ca -0.09 0.72 -0.20 0.00 0.48 0.00 0.00 55.95 56.85 2kuq s SER 35 Cb -0.01 -2.14 0.06 0.00 0.10 0.00 0.00 66.02 64.03 2kuq s SER 35 CO 0.09 -0.16 0.88 -0.83 0.98 0.00 0.00 173.24 174.20 2kuq s GLY 36 N -3.03 0.12 -0.21 7.32 0.00 -0.33 -4.79 107.32 106.40 2kuq s GLY 36 Ca 0.44 -0.41 0.01 0.00 0.00 0.00 0.00 44.72 44.76 2kuq s GLY 36 CO 0.29 0.59 -0.13 0.14 0.00 0.00 0.00 173.10 173.99 2kuq s VAL 37 N -2.67 1.90 0.24 1.40 1.01 -0.13 -1.03 120.40 121.12 2kuq s VAL 37 Ca 0.16 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 2kuq s VAL 37 Cb -0.04 -1.91 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 2kuq s VAL 37 CO 0.07 0.22 1.05 -0.32 0.00 0.00 0.00 175.10 176.12 2kuq s MET 38 N 1.29 4.69 -0.01 2.72 1.75 0.19 -1.10 119.30 128.83 2kuq s MET 38 Ca -0.02 1.69 0.02 0.00 -1.25 0.00 0.00 55.69 56.14 2kuq s MET 38 Cb -0.16 -3.24 -0.00 0.00 2.84 0.00 0.00 34.83 34.27 2kuq s MET 38 CO -0.09 0.27 -0.07 -2.00 -0.65 0.00 0.00 175.02 172.48 2kuq s GLU 39 N -1.12 0.64 -0.21 4.11 2.56 0.36 -1.33 118.70 123.71 2kuq s GLU 39 Ca 0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 54.97 55.15 2kuq s GLU 39 Cb -0.30 -0.63 0.06 0.00 2.00 0.00 0.00 34.13 35.27 2kuq s GLU 39 CO 0.37 0.12 0.02 -0.51 -0.56 0.00 0.00 175.26 174.71 2kuq s LEU 40 N -0.01 1.59 0.44 2.70 1.02 -1.26 -0.25 118.68 122.91 2kuq s LEU 40 Ca 0.01 -0.98 0.08 0.00 0.02 0.00 0.00 54.13 53.25 2kuq s LEU 40 Cb -0.05 -0.75 -0.01 0.00 0.02 0.00 0.00 46.19 45.41 2kuq s LEU 40 CO -0.00 -0.30 0.42 0.42 0.02 0.00 0.00 176.35 176.91 2kuq s THR 41 N 1.73 2.59 -1.84 5.49 -4.23 -0.96 -5.01 115.64 113.41 2kuq s THR 41 Ca -0.01 -1.30 0.16 0.00 -1.18 0.00 0.00 61.69 59.37 2kuq s THR 41 Cb -0.17 -2.89 0.42 0.00 1.34 0.00 0.00 72.50 71.20 2kuq s THR 41 CO -0.09 0.00 1.41 0.00 -0.54 0.00 0.00 174.62 175.40 2kuq n GLN 42 N -1.64 0.44 -0.09 3.99 1.13 -1.26 -3.66 117.38 116.29 2kuq n GLN 42 Ca 0.04 0.04 -0.16 0.00 -1.94 0.00 0.00 57.00 54.98 2kuq n GLN 42 Cb 0.62 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.39 2kuq n GLN 42 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2kuq n SER 43 N -1.08 2.10 -3.71 1.08 7.64 -1.26 -4.98 113.62 113.40 2kuq n SER 43 Ca 0.11 0.04 -0.02 0.00 1.01 0.00 0.00 58.87 60.01 2kuq n SER 43 Cb 0.08 -0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 62.87 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 -2.35 1.00 0.18 1.43 -1.05 -1.24 -4.53 118.70 112.14 2kuq s GLU 44 Ca -0.25 -0.56 -0.29 0.00 -0.15 0.00 0.00 54.97 53.72 2kuq s GLU 44 Cb 0.08 0.34 -0.08 0.00 -0.44 0.00 0.00 34.13 34.03 2kuq s GLU 44 CO 0.38 -0.46 0.92 -1.17 0.95 0.00 0.00 175.26 175.88 2kuq s LEU 45 N -2.97 4.59 0.05 1.83 0.20 -0.46 -2.26 118.68 119.65 2kuq s LEU 45 Ca 0.13 1.84 0.03 0.00 0.69 0.00 0.00 54.13 56.82 2kuq s LEU 45 Cb 0.00 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.19 2kuq s LEU 45 CO 0.01 0.09 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.38 2kuq s VAL 46 N -0.75 0.63 -0.14 1.68 1.01 0.66 -0.96 120.40 122.53 2kuq s VAL 46 Ca 0.42 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2kuq s VAL 46 Cb -0.25 -0.72 0.06 0.00 0.00 0.00 0.00 36.38 35.48 2kuq s VAL 46 CO 0.30 -0.38 0.16 -0.22 0.00 0.00 0.00 175.10 174.96 2kuq s LEU 47 N -1.67 0.03 -0.10 3.92 0.20 0.63 -0.49 118.68 121.20 2kuq s LEU 47 Ca -0.08 -0.08 -0.22 0.00 0.69 0.00 0.00 54.13 54.44 2kuq s LEU 47 Cb -0.09 0.15 -0.04 0.00 -0.43 0.00 0.00 46.19 45.79 2kuq s LEU 47 CO 0.00 -0.30 0.63 -1.00 -0.29 0.00 0.00 176.35 175.40 2kuq s HIS 48 N 2.26 3.52 0.00 5.38 3.76 -0.26 -1.02 115.29 128.94 2kuq s HIS 48 Ca 0.04 1.10 0.00 0.00 -0.15 0.00 0.00 55.06 56.05 2kuq s HIS 48 Cb -0.14 -2.74 0.00 0.00 1.11 0.00 0.00 32.58 30.81 2kuq s HIS 48 CO -0.08 0.06 0.00 1.28 -0.85 0.00 0.00 174.74 175.15 2kuq n LEU 49 N 4.00 0.00 0.00 0.89 4.77 -1.26 -0.95 117.00 124.44 2kuq n LEU 49 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2kuq n LEU 49 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2kuq n LEU 49 CO 0.46 0.00 0.00 1.41 -1.33 0.00 0.00 177.39 177.93 2kuq n HIS 50 N 0.00 0.00 0.26 -1.77 8.25 -1.26 -4.92 115.22 115.78 2kuq n HIS 50 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 2kuq n HIS 50 Cb 0.00 0.00 0.62 0.00 1.12 0.00 0.00 29.99 31.73 2kuq n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kuq h ARG 51 N 0.00 0.00 -6.68 -0.41 -0.00 -2.03 -3.44 114.38 101.82 2kuq h ARG 51 Ca 0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 58.95 2kuq h ARG 51 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 29.97 30.02 2kuq h ARG 51 CO 0.00 0.05 0.82 0.50 0.00 0.00 0.00 179.97 181.34 2kuq s ARG 52 N -3.66 4.23 0.50 0.04 3.00 -1.26 -4.96 118.95 116.84 2kuq s ARG 52 Ca 0.01 2.35 -0.23 0.00 -1.00 0.00 0.00 55.73 56.86 2kuq s ARG 52 Cb 0.09 -3.12 -0.07 0.00 0.00 0.00 0.00 34.95 31.85 2kuq s ARG 52 CO 0.57 -0.52 1.22 -0.85 0.00 0.00 0.00 175.30 175.71 2kuq n GLU 53 N 3.08 1.59 -1.76 5.12 0.28 -1.26 -4.60 120.64 123.09 2kuq n GLU 53 Ca 0.10 0.58 -0.37 0.00 -0.16 0.00 0.00 57.16 57.31 2kuq n GLU 53 Cb 0.39 -2.38 0.06 0.00 1.43 0.00 0.00 31.44 30.94 2kuq n GLU 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kuq s ALA 54 N -1.30 2.56 -0.12 -1.84 0.00 -1.26 -4.87 121.76 114.93 2kuq s ALA 54 Ca 0.68 1.26 -0.01 0.00 0.00 0.00 0.00 51.96 53.89 2kuq s ALA 54 Cb -0.46 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 2kuq s ALA 54 CO 0.53 -1.50 -0.08 0.08 0.00 0.00 0.00 175.76 174.78 2kuq s VAL 55 N -1.36 3.52 -0.00 0.00 1.01 -0.18 -4.94 120.40 118.44 2kuq s VAL 55 Ca 0.78 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.28 2kuq s VAL 55 Cb -0.39 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2kuq s VAL 55 CO 0.43 0.53 -0.10 -0.13 0.00 0.00 0.00 175.10 175.83 2kuq s ARG 56 N 0.01 0.78 -0.16 2.72 3.00 -1.26 -0.27 118.95 123.77 2kuq s ARG 56 Ca -0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 55.73 55.29 2kuq s ARG 56 Cb -0.14 -0.75 0.05 0.00 0.00 0.00 0.00 34.95 34.11 2kuq s ARG 56 CO 0.03 0.20 0.03 -1.58 0.00 0.00 0.00 175.30 173.99 2kuq s TRP 57 N -0.33 0.84 0.33 -0.53 0.51 -0.13 -4.45 118.94 115.18 2kuq s TRP 57 Ca 0.03 -0.63 -0.29 0.00 -2.12 0.00 0.00 56.10 53.10 2kuq s TRP 57 Cb -0.04 -0.93 -0.10 0.00 -0.81 0.00 0.00 33.47 31.58 2kuq s TRP 57 CO -0.00 -0.53 1.26 -1.25 -0.51 0.00 0.00 176.95 175.91 2kuq s PRO 58 N 1.92 4.38 0.53 4.98 0.04 -1.26 -1.35 135.00 144.24 2kuq s PRO 58 Ca 0.01 2.11 0.27 0.00 0.04 0.00 0.00 61.00 63.43 2kuq s PRO 58 Cb -0.16 -3.06 1.48 0.00 0.04 0.00 0.00 34.50 32.80 2kuq s PRO 58 CO -0.07 -0.13 2.09 1.88 0.04 0.00 0.00 177.00 180.81 2kuq h TYR 59 N 3.40 0.00 0.00 0.56 0.05 -1.94 -0.85 116.97 118.19 2kuq h TYR 59 Ca -0.48 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.29 2kuq h TYR 59 Cb 1.22 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.96 2kuq h TYR 59 CO 0.56 0.10 -0.02 1.37 -1.05 0.00 0.00 178.16 179.13 2kuq h LEU 60 N 0.00 0.00 -1.79 3.88 8.10 -1.93 -2.69 115.31 120.87 2kuq h LEU 60 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kuq h LEU 60 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.50 2kuq h LEU 60 CO 0.01 0.02 0.00 0.00 -4.11 0.00 0.00 178.44 174.36 2kuq s LEU 62 N -1.53 5.37 0.16 0.00 1.43 -1.02 -1.07 118.68 122.02 2kuq s LEU 62 Ca 0.35 -1.56 -0.04 0.00 -1.03 0.00 0.00 54.13 51.85 2kuq s LEU 62 Cb 0.20 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2kuq s LEU 62 CO 0.29 -1.10 1.42 -0.09 0.23 0.00 0.00 176.35 177.10 2kuq h ARG 63 N 9.08 0.51 -2.80 1.70 2.43 -1.85 -3.34 114.38 120.11 2kuq h ARG 63 Ca -0.21 -0.40 -0.09 0.00 -0.81 0.00 0.00 59.98 58.46 2kuq h ARG 63 Cb 1.07 0.08 -0.19 0.00 -0.42 0.00 0.00 29.97 30.52 2kuq h ARG 63 CO 1.08 1.03 -0.11 -0.98 -1.51 0.00 0.00 179.97 179.49 2kuq s ARG 64 N -3.71 0.85 0.03 0.20 1.70 -1.26 -1.94 118.95 114.82 2kuq s ARG 64 Ca -0.07 -0.15 -0.27 0.00 -0.47 0.00 0.00 55.73 54.77 2kuq s ARG 64 Cb 0.10 0.38 0.07 0.00 -0.57 0.00 0.00 34.95 34.93 2kuq s ARG 64 CO 0.85 -0.27 0.62 1.52 -1.08 0.00 0.00 175.30 176.95 2kuq s TYR 65 N -1.72 -0.57 0.27 5.89 -0.85 -0.49 -1.01 117.35 118.88 2kuq s TYR 65 Ca -0.10 0.76 -0.19 0.00 -0.52 0.00 0.00 57.07 57.01 2kuq s TYR 65 Cb -0.02 0.43 0.07 0.00 0.38 0.00 0.00 41.96 42.81 2kuq s TYR 65 CO 0.03 -0.68 0.94 0.20 -1.52 0.00 0.00 175.55 174.52 2kuq s GLY 66 N -1.78 0.22 0.13 5.49 0.00 0.32 -0.73 107.32 110.98 2kuq s GLY 66 Ca -0.07 -0.51 -0.24 0.00 0.00 0.00 0.00 44.72 43.90 2kuq s GLY 66 CO 0.01 1.37 0.63 -2.52 0.00 0.00 0.00 173.10 172.59 2kuq s TYR 67 N -2.20 -0.54 0.34 1.90 1.13 -1.21 -1.62 117.35 115.15 2kuq s TYR 67 Ca 0.19 0.42 0.04 0.00 -1.41 0.00 0.00 57.07 56.31 2kuq s TYR 67 Cb -0.04 0.54 -0.01 0.00 -1.10 0.00 0.00 41.96 41.35 2kuq s TYR 67 CO 0.08 -0.80 0.13 -3.47 -2.51 0.00 0.00 175.55 168.97 2kuq n ASP 68 N -0.22 1.11 0.30 -0.18 -0.08 0.50 -3.50 116.55 114.48 2kuq n ASP 68 Ca -0.17 -2.84 0.20 0.00 -1.51 0.00 0.00 54.79 50.47 2kuq n ASP 68 Cb 0.64 0.90 0.97 0.00 2.34 0.00 0.00 41.12 45.97 2kuq n ASP 68 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2kuq h SER 69 N 1.39 0.00 0.00 1.67 0.02 -1.98 -3.09 113.55 111.55 2kuq h SER 69 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2kuq h SER 69 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2kuq h SER 69 CO 0.42 0.00 -0.22 0.59 -1.14 0.00 0.00 176.83 176.48 2kuq n ASN 70 N -2.97 0.00 -3.84 3.07 4.13 -1.26 -4.82 115.26 109.57 2kuq n ASN 70 Ca -0.02 -1.45 -0.12 0.00 1.68 0.00 0.00 54.58 54.68 2kuq n ASN 70 Cb 0.15 -0.09 -0.13 0.00 -1.54 0.00 0.00 39.78 38.17 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 1.62 -0.08 3.41 2.96 -1.17 -1.23 118.68 124.19 2kuq s LEU 71 Ca 0.00 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2kuq s LEU 71 Cb 0.00 0.36 0.01 0.00 0.50 0.00 0.00 46.19 47.07 2kuq s LEU 71 CO 0.00 -0.06 -0.12 0.12 -1.32 0.00 0.00 176.35 174.97 2kuq s PHE 72 N -0.06 1.57 0.01 5.38 5.36 0.04 -0.37 117.98 129.90 2kuq s PHE 72 Ca -0.01 -0.64 -0.02 0.00 -0.96 0.00 0.00 56.93 55.30 2kuq s PHE 72 Cb -0.01 -1.16 -0.01 0.00 -0.34 0.00 0.00 43.02 41.49 2kuq s PHE 72 CO 0.00 -0.35 0.02 0.45 -1.46 0.00 0.00 175.22 173.88 2kuq s SER 73 N 0.86 0.15 0.05 6.13 0.15 -0.64 -1.09 113.70 119.31 2kuq s SER 73 Ca -0.11 -0.34 -0.19 0.00 0.70 0.00 0.00 55.95 56.02 2kuq s SER 73 Cb -0.15 0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.31 2kuq s SER 73 CO 0.01 -0.26 0.43 0.72 1.20 0.00 0.00 173.24 175.34 2kuq s PHE 74 N -1.18 -0.28 -0.24 3.44 -0.12 -0.78 -0.52 117.98 118.30 2kuq s PHE 74 Ca -0.13 0.23 -0.06 0.00 -0.05 0.00 0.00 56.93 56.93 2kuq s PHE 74 Cb -0.08 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.53 2kuq s PHE 74 CO -0.00 -0.59 0.03 -2.00 -0.05 0.00 0.00 175.22 172.60 2kuq s GLU 75 N -2.58 3.56 -0.13 1.99 -6.30 -0.18 -1.26 118.70 113.81 2kuq s GLU 75 Ca -0.05 -0.53 -0.03 0.00 -2.50 0.00 0.00 54.97 51.86 2kuq s GLU 75 Cb -0.01 -3.21 -0.03 0.00 0.00 0.00 0.00 34.13 30.88 2kuq s GLU 75 CO -0.03 -0.19 -0.01 -1.12 0.02 0.00 0.00 175.26 173.93 2kuq s SER 76 N 1.55 5.04 1.07 -1.70 0.01 -0.48 -3.36 113.70 115.84 2kuq s SER 76 Ca 0.06 0.00 -0.17 0.00 1.31 0.00 0.00 55.95 57.16 2kuq s SER 76 Cb -0.15 -1.64 0.23 0.00 0.21 0.00 0.00 66.02 64.68 2kuq s SER 76 CO 0.01 0.26 1.19 -0.83 0.41 0.00 0.00 173.24 174.28 2kuq s GLY 77 N -0.18 1.65 0.00 3.44 0.00 -0.23 -2.07 107.32 109.93 2kuq s GLY 77 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.80 2kuq s GLY 77 CO 0.02 -0.17 0.37 -0.96 0.00 0.00 0.00 173.10 172.37 2kuq n ARG 78 N -4.27 0.64 -0.11 2.90 1.85 -1.26 -3.69 116.66 112.72 2kuq n ARG 78 Ca 0.13 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.03 2kuq n ARG 78 Cb 0.59 -1.30 0.07 0.00 -1.05 0.00 0.00 32.46 30.78 2kuq n ARG 78 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2kuq n ARG 79 N 0.26 1.46 -4.42 2.89 1.74 -1.26 -4.80 116.66 112.53 2kuq n ARG 79 Ca 0.00 -1.93 -0.20 0.00 -0.77 0.00 0.00 57.85 54.95 2kuq n ARG 79 Cb 0.19 -1.16 -0.11 0.00 -1.02 0.00 0.00 32.46 30.36 2kuq n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kuq h GLN 81 N 2.20 0.15 -0.01 0.00 -0.00 -1.94 -2.18 115.11 113.33 2kuq h GLN 81 Ca -0.40 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 2kuq h GLN 81 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.69 2kuq h GLN 81 CO 0.68 0.19 -0.17 0.25 0.00 0.00 0.00 178.83 179.78 2kuq n THR 82 N -4.42 0.00 -1.57 2.39 -2.24 -1.26 -5.01 114.28 102.18 2kuq n THR 82 Ca -0.01 -0.12 0.05 0.00 -2.27 0.00 0.00 64.05 61.70 2kuq n THR 82 Cb 0.16 0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.29 -2.02 3.73 3.38 0.00 -0.82 -4.83 105.19 105.92 2kuq n GLY 83 Ca 0.14 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.03 4.40 0.00 1.61 0.74 -1.25 -4.75 119.66 119.38 2kuq s GLN 84 Ca 0.00 2.02 0.00 0.00 0.05 0.00 0.00 55.36 57.43 2kuq s GLN 84 Cb 0.00 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.90 2kuq s GLN 84 CO 0.00 -0.25 0.00 0.41 -0.55 0.00 0.00 175.29 174.90 2kuq n GLY 85 N 2.46 0.37 3.62 2.59 0.00 -0.88 -4.99 105.19 108.37 2kuq n GLY 85 Ca 0.06 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 2kuq n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kuq s ILE 86 N -2.00 5.23 -0.09 -0.61 1.01 -1.26 -1.38 121.20 122.10 2kuq s ILE 86 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.83 2kuq s ILE 86 Cb 0.00 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 39.02 2kuq s ILE 86 CO 0.00 0.32 -0.23 -0.36 0.00 0.00 0.00 174.94 174.67 2kuq s PHE 87 N 1.29 2.45 0.00 3.97 0.08 -0.39 -0.84 117.98 124.54 2kuq s PHE 87 Ca 0.07 -0.98 0.02 0.00 0.12 0.00 0.00 56.93 56.16 2kuq s PHE 87 Cb -0.14 -1.64 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 2kuq s PHE 87 CO 0.06 -0.39 -0.06 0.00 -0.10 0.00 0.00 175.22 174.73 2kuq s ALA 88 N 0.33 0.51 -0.02 5.36 0.00 -1.26 -1.86 121.76 124.82 2kuq s ALA 88 Ca -0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 2kuq s ALA 88 Cb -0.17 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.86 2kuq s ALA 88 CO 0.08 0.10 0.05 -0.06 0.00 0.00 0.00 175.76 175.93 2kuq s PHE 89 N -0.34 -0.04 0.20 0.00 0.40 -0.25 -1.91 117.98 116.05 2kuq s PHE 89 Ca 0.00 0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.17 2kuq s PHE 89 Cb -0.04 -0.04 -0.08 0.00 0.51 0.00 0.00 43.02 43.37 2kuq s PHE 89 CO -0.00 -0.04 1.01 0.15 0.70 0.00 0.00 175.22 177.03 2kuq s LYS 90 N 0.31 4.73 -0.29 0.44 1.02 0.03 -0.78 119.74 125.20 2kuq s LYS 90 Ca -0.02 1.58 -0.15 0.00 0.02 0.00 0.00 55.97 57.39 2kuq s LYS 90 Cb -0.04 -3.29 0.13 0.00 -0.52 0.00 0.00 37.83 34.11 2kuq s LYS 90 CO -0.01 0.30 0.87 0.00 -0.92 0.00 0.00 175.35 175.59 2kuq h SER 92 N 6.65 0.00 -0.40 0.00 0.87 -1.88 -2.85 113.55 115.94 2kuq h SER 92 Ca -0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2kuq h SER 92 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2kuq h SER 92 CO 0.17 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 177.01 2kuq n ARG 93 N -2.40 3.47 -0.26 2.24 1.74 -1.26 -4.77 116.66 115.41 2kuq n ARG 93 Ca 0.01 -2.81 0.22 0.00 -0.77 0.00 0.00 57.85 54.50 2kuq n ARG 93 Cb 0.22 -1.86 0.55 0.00 -1.02 0.00 0.00 32.46 30.34 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 2.68 2.33 -0.59 7.54 0.00 -1.81 -0.06 119.26 129.35 2kuq h ALA 94 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2kuq h ALA 94 Cb 1.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 2kuq h ALA 94 CO 0.25 -0.64 0.25 1.49 0.00 0.00 0.00 179.25 180.60 2kuq h GLU 95 N 0.34 0.85 -0.03 0.00 4.81 -1.86 -1.18 114.58 117.51 2kuq h GLU 95 Ca 0.50 -0.12 -0.18 0.00 -0.13 0.00 0.00 59.36 59.43 2kuq h GLU 95 Cb 1.37 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2kuq h GLU 95 CO -0.18 0.69 -0.77 0.93 -0.73 0.00 0.00 179.01 178.95 2kuq h GLU 96 N 0.85 0.25 -0.20 1.92 5.08 -1.40 -1.48 114.58 119.60 2kuq h GLU 96 Ca 0.20 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2kuq h GLU 96 Cb 0.14 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2kuq h GLU 96 CO -0.02 0.90 0.05 0.82 -1.00 0.00 0.00 179.01 179.76 2kuq h ILE 97 N 0.16 1.21 -0.55 3.13 2.04 -1.23 -0.50 117.51 121.77 2kuq h ILE 97 Ca -0.03 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2kuq h ILE 97 Cb 1.35 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 2kuq h ILE 97 CO 0.12 0.21 0.36 0.15 0.00 0.00 0.00 178.15 178.99 2kuq h PHE 98 N 0.15 0.69 -0.40 1.37 3.57 -1.18 0.43 116.94 121.56 2kuq h PHE 98 Ca 0.06 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 2kuq h PHE 98 Cb 0.27 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2kuq h PHE 98 CO 0.01 0.44 -0.20 -0.91 -2.23 0.00 0.00 178.31 175.42 2kuq h ASN 99 N 0.75 0.88 -0.57 0.41 2.35 -1.24 -2.66 115.58 115.49 2kuq h ASN 99 Ca 0.20 -0.41 -0.07 0.00 -0.55 0.00 0.00 56.30 55.47 2kuq h ASN 99 Cb -0.08 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 2kuq h ASN 99 CO -0.04 1.09 0.07 0.25 -1.65 0.00 0.00 177.43 177.14 2kuq h LEU 100 N 0.66 0.93 0.07 1.61 5.85 -0.93 -2.27 115.31 121.24 2kuq h LEU 100 Ca 0.09 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2kuq h LEU 100 Cb 0.76 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2kuq h LEU 100 CO 0.06 0.97 -0.30 0.25 -0.34 0.00 0.00 178.44 179.08 2kuq h LEU 101 N 0.86 -0.87 -1.40 2.25 5.85 -0.88 -1.68 115.31 119.45 2kuq h LEU 101 Ca 0.17 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 2kuq h LEU 101 Cb 0.45 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2kuq h LEU 101 CO 0.02 -0.38 -0.30 0.06 -0.34 0.00 0.00 178.44 177.50 2kuq h GLN 102 N -0.48 0.00 -0.31 1.25 3.07 -1.43 -2.58 115.11 114.62 2kuq h GLN 102 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.71 2kuq h GLN 102 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 2kuq h GLN 102 CO -0.21 0.30 -0.08 0.22 0.09 0.00 0.00 178.83 179.15 2kuq h ASP 103 N 0.00 0.61 0.87 0.06 3.58 -1.00 -2.21 116.42 118.34 2kuq h ASP 103 Ca -0.00 -0.37 -0.15 0.00 0.42 0.00 0.00 57.03 56.93 2kuq h ASP 103 Cb 0.56 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 2kuq h ASP 103 CO 0.04 0.84 -0.71 -0.07 -2.88 0.00 0.00 179.24 176.46 2kuq h LEU 104 N 0.37 0.00 0.00 2.28 3.38 -1.16 -2.01 115.31 118.17 2kuq h LEU 104 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2kuq h LEU 104 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2kuq h LEU 104 CO 0.03 0.71 -0.42 0.00 0.09 0.00 0.00 178.44 178.84 2kuq h MET 105 N 0.00 0.00 0.00 1.13 -0.00 -1.51 -3.23 114.93 111.31 2kuq h MET 105 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2kuq h MET 105 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.93 2kuq h MET 105 CO 0.09 0.28 -0.41 0.00 -0.00 0.00 0.00 176.91 176.87 2kuq n GLN 106 N -3.12 0.21 0.29 -0.10 10.64 -0.83 -3.76 117.38 120.70 2kuq n GLN 106 Ca 0.02 0.09 0.18 0.00 -1.83 0.00 0.00 57.00 55.46 2kuq n GLN 106 Cb 0.66 -1.66 0.81 0.00 -0.86 0.00 0.00 30.24 29.19 2kuq n GLN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kuq s ASN 108 N -5.59 6.65 -0.74 0.00 2.47 -1.25 -4.98 114.94 111.50 2kuq s ASN 108 Ca -0.01 1.97 -0.26 0.00 0.42 0.00 0.00 52.86 54.98 2kuq s ASN 108 Cb 0.10 -2.57 -0.01 0.00 -1.45 0.00 0.00 41.25 37.32 2kuq s ASN 108 CO 0.52 -0.56 1.74 -0.55 -3.72 0.00 0.00 177.10 174.52 2kuq s SER 109 N -1.76 5.52 -0.01 -4.21 0.15 -1.26 -4.93 113.70 107.20 2kuq s SER 109 Ca 0.61 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2kuq s SER 109 Cb -0.19 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.59 2kuq s SER 109 CO 0.24 -2.29 0.00 -0.63 1.20 0.00 0.00 173.24 171.76 2kuq s ILE 110 N 8.32 0.03 0.16 6.45 -1.09 -1.26 -5.15 121.20 128.66 2kuq s ILE 110 Ca 0.60 0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.77 2kuq s ILE 110 Cb -0.09 -0.08 -0.07 0.00 -1.58 0.00 0.00 42.46 40.64 2kuq s ILE 110 CO 0.12 0.05 0.99 0.20 -1.23 0.00 0.00 174.94 175.07 2kuq s ASN 111 N 0.37 7.47 -0.13 3.58 0.01 -1.26 -5.06 114.94 119.92 2kuq s ASN 111 Ca -0.03 1.91 -0.23 0.00 -0.71 0.00 0.00 52.86 53.80 2kuq s ASN 111 Cb -0.05 -2.60 0.06 0.00 0.41 0.00 0.00 41.25 39.07 2kuq s ASN 111 CO -0.01 -0.06 0.57 0.54 -1.51 0.00 0.00 177.10 176.63 2kuq s VAL 112 N -0.32 0.01 0.23 1.60 0.11 -1.26 -4.99 120.40 115.78 2kuq s VAL 112 Ca 0.46 -0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 59.32 2kuq s VAL 112 Cb -0.26 -0.84 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 2kuq s VAL 112 CO 0.32 -0.04 0.42 0.00 -3.33 0.00 0.00 175.10 172.46 2kuq s MET 113 N -0.43 1.46 0.12 1.54 0.23 -1.26 -5.17 119.30 115.79 2kuq s MET 113 Ca -0.06 -1.28 -0.22 0.00 -1.03 0.00 0.00 55.69 53.11 2kuq s MET 113 Cb -0.03 0.44 -0.07 0.00 -1.53 0.00 0.00 34.83 33.64 2kuq s MET 113 CO 0.04 -0.59 0.66 -1.83 -2.03 0.00 0.00 175.02 171.28 2kuq s GLU 114 N -4.03 4.37 0.04 3.16 -1.05 -1.26 -5.09 118.70 114.84 2kuq s GLU 114 Ca 0.24 0.93 -0.17 0.00 -0.15 0.00 0.00 54.97 55.81 2kuq s GLU 114 Cb 0.01 -3.25 0.03 0.00 -0.44 0.00 0.00 34.13 30.48 2kuq s GLU 114 CO 0.08 0.61 0.38 -1.83 0.95 0.00 0.00 175.26 175.45 2kuq s GLU 115 N -1.13 0.89 0.47 -4.83 -1.05 -1.26 -5.17 118.70 106.61 2kuq s GLU 115 Ca 0.32 -0.40 -0.21 0.00 -0.15 0.00 0.00 54.97 54.53 2kuq s GLU 115 Cb -0.21 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 33.78 2kuq s GLU 115 CO 0.22 -0.30 1.03 -1.25 0.95 0.00 0.00 175.26 175.91 2kuq s PRO 116 N -2.48 3.89 0.03 -4.83 0.04 -1.26 -5.03 135.00 125.37 2kuq s PRO 116 Ca -0.05 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 2kuq s PRO 116 Cb -0.01 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2kuq s PRO 116 CO -0.03 -0.35 1.02 0.08 0.04 0.00 0.00 177.00 177.76 2kuq s VAL 117 N -1.96 4.64 0.01 -0.36 1.01 -1.26 -5.06 120.40 117.42 2kuq s VAL 117 Ca 0.66 1.95 0.03 0.00 0.00 0.00 0.00 61.98 64.62 2kuq s VAL 117 Cb -0.16 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 2kuq s VAL 117 CO 0.20 0.18 -0.08 -0.63 0.00 0.00 0.00 175.10 174.78 2kuq s ILE 118 N 0.82 3.58 0.02 2.22 -1.09 -1.26 -5.08 121.20 120.40 2kuq s ILE 118 Ca 0.52 -0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 57.84 2kuq s ILE 118 Cb -0.23 -2.55 -0.08 0.00 -1.58 0.00 0.00 42.46 38.02 2kuq s ILE 118 CO 0.29 0.39 1.85 -0.63 -1.23 0.00 0.00 174.94 175.61 2kuq s ILE 119 N -0.99 3.17 -0.12 2.92 1.01 -1.26 -4.98 121.20 120.94 2kuq s ILE 119 Ca 0.17 0.26 -0.22 0.00 0.00 0.00 0.00 60.65 60.86 2kuq s ILE 119 Cb -0.11 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2kuq s ILE 119 CO 0.07 -0.02 0.67 -0.89 0.00 0.00 0.00 174.94 174.77 2kuq s THR 120 N 4.14 5.04 0.46 2.92 2.01 -1.26 -5.08 115.64 123.87 2kuq s THR 120 Ca 0.83 1.32 -0.15 0.00 0.31 0.00 0.00 61.69 64.00 2kuq s THR 120 Cb -0.40 -3.99 -0.08 0.00 0.01 0.00 0.00 72.50 68.04 2kuq s THR 120 CO 0.37 0.19 0.91 -0.94 -0.69 0.00 0.00 174.62 174.46 2kuq s SER 121 N 0.94 6.63 0.00 3.53 1.04 -1.26 -5.11 113.70 119.47 2kuq s SER 121 Ca 0.33 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.21 2kuq s SER 121 Cb -0.17 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2kuq s SER 121 CO 0.14 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2kuq n GLY 122 N -1.34 1.00 3.17 7.32 0.00 -1.26 -5.15 105.19 108.93 2kuq n GLY 122 Ca 0.05 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 2kuq n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kuq s SER 123 N -1.00 1.26 0.00 1.61 0.01 -1.26 -5.06 113.70 109.25 2kuq s SER 123 Ca 0.00 -0.89 0.22 0.00 1.31 0.00 0.00 55.95 56.59 2kuq s SER 123 Cb 0.00 0.05 1.23 0.00 0.21 0.00 0.00 66.02 67.51 2kuq s SER 123 CO 0.00 -0.36 1.68 -1.20 0.41 0.00 0.00 173.24 173.77 2kuq n SER 124 N 0.32 0.00 0.00 2.44 7.64 -1.26 -4.94 113.62 117.82 2kuq n SER 124 Ca -0.14 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.27 2kuq n SER 124 Cb 0.59 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2kuq n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kuq n GLY 125 N 0.41 1.96 3.32 0.23 0.00 -1.26 -5.17 105.19 104.69 2kuq n GLY 125 Ca 0.14 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.29 0.23 1.61 0.01 -1.26 -5.20 113.70 108.81 2kuq s SER 126 Ca 0.00 0.03 -0.22 0.00 1.31 0.00 0.00 55.95 57.07 2kuq s SER 126 Cb 0.00 0.42 0.04 0.00 0.21 0.00 0.00 66.02 66.69 2kuq s SER 126 CO 0.00 -0.65 0.72 -0.94 0.41 0.00 0.00 173.24 172.78 2kuq s SER 127 N -1.93 -0.33 0.00 2.44 1.04 -1.26 -5.18 113.70 108.48 2kuq s SER 127 Ca -0.06 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2kuq s SER 127 Cb -0.01 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2kuq s SER 127 CO -0.01 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.62 2kuq n GLY 128 N -0.44 2.37 3.80 7.32 0.00 -1.26 -5.20 105.19 111.79 2kuq n GLY 128 Ca -0.07 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2kuq n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kuq s SER 129 N 2.00 -0.16 0.03 1.61 1.04 -1.26 -5.14 113.70 111.81 2kuq s SER 129 Ca 0.00 -0.76 -0.30 0.00 0.48 0.00 0.00 55.95 55.37 2kuq s SER 129 Cb 0.00 0.73 -0.09 0.00 0.10 0.00 0.00 66.02 66.76 2kuq s SER 129 CO 0.00 -1.38 1.99 -1.20 0.98 0.00 0.00 173.24 173.63 2kuq n SER 130 N -0.63 4.14 0.00 7.02 7.64 -1.26 -4.94 113.62 125.59 2kuq n SER 130 Ca -0.04 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.71 2kuq n SER 130 Cb 0.60 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2kuq n SER 130 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kuq n GLY 131 N 4.61 0.61 3.78 0.23 0.00 -1.26 -5.10 105.19 108.06 2kuq n GLY 131 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2kuq n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kuq s SER 132 N 0.09 5.02 0.51 1.61 1.04 -1.26 -5.08 113.70 115.63 2kuq s SER 132 Ca 0.00 1.90 -0.06 0.00 0.48 0.00 0.00 55.95 58.27 2kuq s SER 132 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 2kuq s SER 132 CO 0.00 -1.69 0.82 -0.94 0.98 0.00 0.00 173.24 172.41 2kuq s SER 133 N -2.94 6.16 0.00 7.02 1.04 -1.26 -5.04 113.70 118.68 2kuq s SER 133 Ca 0.64 0.93 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2kuq s SER 133 Cb -0.19 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2kuq s SER 133 CO 0.46 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2kuq n GLY 134 N -2.34 0.27 3.87 7.32 0.00 -1.26 -4.86 105.19 108.19 2kuq n GLY 134 Ca 0.02 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2kuq n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kuq s LEU 135 N 0.00 2.69 -0.06 0.99 1.02 -1.26 -4.99 118.68 117.06 2kuq s LEU 135 Ca 0.00 1.06 -0.30 0.00 0.02 0.00 0.00 54.13 54.92 2kuq s LEU 135 Cb 0.00 -3.72 -0.05 0.00 0.02 0.00 0.00 46.19 42.44 2kuq s LEU 135 CO 0.00 -1.67 1.58 0.12 0.02 0.00 0.00 176.35 176.39 2kuq s PHE 136 N -3.37 2.18 -0.19 0.29 2.19 -1.26 -5.00 117.98 112.81 2kuq s PHE 136 Ca 0.60 0.36 -0.23 0.00 0.33 0.00 0.00 56.93 57.99 2kuq s PHE 136 Cb -0.12 -3.84 -0.02 0.00 -1.31 0.00 0.00 43.02 37.74 2kuq s PHE 136 CO 0.52 -3.44 0.74 1.03 1.83 0.00 0.00 175.22 175.90 2kuq s ARG 137 N 3.82 4.24 0.35 10.12 3.00 -1.26 -4.59 118.95 134.62 2kuq s ARG 137 Ca 0.70 0.83 -0.24 0.00 0.00 0.00 0.00 55.73 57.02 2kuq s ARG 137 Cb -0.32 -3.59 -0.10 0.00 0.00 0.00 0.00 34.95 30.94 2kuq s ARG 137 CO 0.27 -0.33 0.93 -0.51 0.00 0.00 0.00 175.30 175.66 2kuq s LEU 138 N 2.18 4.22 0.33 2.53 1.43 -0.02 -4.93 118.68 124.42 2kuq s LEU 138 Ca 0.34 1.76 0.17 0.00 -1.03 0.00 0.00 54.13 55.36 2kuq s LEU 138 Cb -0.16 -4.14 0.45 0.00 0.03 0.00 0.00 46.19 42.37 2kuq s LEU 138 CO 0.11 -0.15 1.62 0.03 0.23 0.00 0.00 176.35 178.19 2kuq h ARG 139 N 2.80 0.00 -4.76 1.70 3.08 -1.98 -3.37 114.38 111.85 2kuq h ARG 139 Ca -0.47 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.29 2kuq h ARG 139 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.09 2kuq h ARG 139 CO 0.64 0.45 -0.65 -3.38 -1.07 0.00 0.00 179.97 175.95 2kuq s HIS 140 N -3.37 1.21 -0.24 3.04 -3.43 -1.26 -5.09 115.29 106.14 2kuq s HIS 140 Ca 0.01 -1.08 -0.19 0.00 -0.80 0.00 0.00 55.06 53.00 2kuq s HIS 140 Cb 0.10 -0.69 -0.02 0.00 -1.43 0.00 0.00 32.58 30.54 2kuq s HIS 140 CO 0.71 -0.28 0.58 0.12 -2.00 0.00 0.00 174.74 173.87 2kuq s PHE 141 N -3.73 3.30 -0.38 0.38 5.36 -1.26 -4.99 117.98 116.66 2kuq s PHE 141 Ca 0.26 0.76 0.23 0.00 -0.96 0.00 0.00 56.93 57.23 2kuq s PHE 141 Cb 0.06 -2.77 0.16 0.00 -0.34 0.00 0.00 43.02 40.13 2kuq s PHE 141 CO 0.05 -0.26 1.22 -1.00 -1.46 0.00 0.00 175.22 173.76 2kuq h PRO 142 N 7.83 0.00 -6.18 10.12 0.13 -1.99 -3.47 132.00 138.45 2kuq h PRO 142 Ca -0.29 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.26 2kuq h PRO 142 Cb 1.14 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 2kuq h PRO 142 CO 0.75 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 178.46 2kuq h GLY 144 N 4.68 0.00 -5.25 0.00 0.00 -1.91 -3.44 103.07 97.16 2kuq h GLY 144 Ca -0.49 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.22 2kuq h GLY 144 CO 0.64 0.00 -0.25 -1.31 0.00 0.00 0.00 176.54 175.62 2kuq s ASN 145 N -6.16 6.69 -0.01 0.19 0.01 -1.23 -5.05 114.94 109.39 2kuq s ASN 145 Ca 0.05 0.83 0.01 0.00 -0.71 0.00 0.00 52.86 53.03 2kuq s ASN 145 Cb 0.07 -2.22 0.00 0.00 0.41 0.00 0.00 41.25 39.51 2kuq s ASN 145 CO 0.66 0.28 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.82 2kuq s VAL 146 N -0.75 0.21 0.01 1.60 1.01 -1.26 -3.36 120.40 117.87 2kuq s VAL 146 Ca 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 2kuq s VAL 146 Cb -0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 2kuq s VAL 146 CO 0.11 0.08 -0.00 0.21 0.00 0.00 0.00 175.10 175.49 2kuq s ASN 147 N 0.17 0.10 -0.07 3.32 2.47 0.10 -5.00 114.94 116.03 2kuq s ASN 147 Ca -0.01 -0.21 -0.00 0.00 0.42 0.00 0.00 52.86 53.05 2kuq s ASN 147 Cb -0.04 0.06 -0.03 0.00 -1.45 0.00 0.00 41.25 39.79 2kuq s ASN 147 CO -0.00 -0.15 -0.03 -0.31 -3.72 0.00 0.00 177.10 172.89 2kuq s TYR 148 N -0.68 3.05 0.00 0.43 2.02 -1.26 -1.39 117.35 119.52 2kuq s TYR 148 Ca -0.07 0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 2kuq s TYR 148 Cb -0.05 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 2kuq s TYR 148 CO -0.00 0.41 0.00 0.41 -1.57 0.00 0.00 175.55 174.79 2kuq n GLY 149 N 2.12 0.94 3.73 0.71 0.00 -0.82 -4.98 105.19 106.90 2kuq n GLY 149 Ca -0.18 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 2kuq n GLY 149 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kuq n TYR 150 N 0.00 2.22 -3.77 1.61 4.02 -1.25 -5.04 117.16 114.94 2kuq n TYR 150 Ca 0.00 0.44 -0.13 0.00 -0.01 0.00 0.00 57.90 58.20 2kuq n TYR 150 Cb 0.00 -2.35 -0.12 0.00 -0.02 0.00 0.00 39.34 36.84 2kuq n TYR 150 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2kuq s GLN 151 N -2.84 0.24 -0.01 -0.72 0.74 -1.26 -4.88 119.66 110.93 2kuq s GLN 151 Ca 0.71 0.39 -0.28 0.00 0.05 0.00 0.00 55.36 56.23 2kuq s GLN 151 Cb -0.42 0.04 0.10 0.00 1.10 0.00 0.00 33.01 33.83 2kuq s GLN 151 CO 0.50 -0.08 0.82 1.14 -0.55 0.00 0.00 175.29 177.12 2kuq s GLN 152 N 0.51 0.90 0.00 1.67 -2.07 -1.26 -5.07 119.66 114.34 2kuq s GLN 152 Ca -0.03 -0.16 0.23 0.00 -1.82 0.00 0.00 55.36 53.58 2kuq s GLN 152 Cb -0.05 0.42 1.37 0.00 -1.09 0.00 0.00 33.01 33.66 2kuq s GLN 152 CO -0.03 -0.36 1.74 1.04 -1.32 0.00 0.00 175.29 176.36