#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuq n SER 2 N 0.00 4.89 -0.28 1.61 2.88 -1.26 -4.78 113.62 116.69 2kuq n SER 2 Ca 0.00 -2.98 0.08 0.00 -1.33 0.00 0.00 58.87 54.63 2kuq n SER 2 Cb 0.00 -1.59 0.34 0.00 -0.75 0.00 0.00 64.21 62.21 2kuq n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2kuq n SER 3 N 5.73 0.82 0.00 -3.46 3.41 -1.26 -5.04 113.62 113.83 2kuq n SER 3 Ca 0.43 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 2kuq n SER 3 Cb 0.41 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2kuq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kuq n GLY 4 N 0.89 -0.98 3.63 5.00 0.00 -1.26 -5.08 105.19 107.38 2kuq n GLY 4 Ca 0.12 -2.12 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 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 -4.00 -0.73 -0.01 1.61 0.15 -1.26 -5.05 113.70 104.41 2kuq s SER 5 Ca 0.00 1.40 0.19 0.00 0.70 0.00 0.00 55.95 58.24 2kuq s SER 5 Cb 0.00 1.41 -0.23 0.00 -1.71 0.00 0.00 66.02 65.49 2kuq s SER 5 CO 0.00 -0.26 0.67 -0.24 1.20 0.00 0.00 173.24 174.61 2kuq n SER 6 N 2.62 0.79 0.00 5.45 2.88 -1.26 -5.12 113.62 118.98 2kuq n SER 6 Ca -0.14 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.77 2kuq n SER 6 Cb 0.55 1.29 0.00 0.00 -0.75 0.00 0.00 64.21 65.30 2kuq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kuq n GLY 7 N 1.43 -2.34 0.88 0.46 0.00 -1.26 -5.04 105.19 99.31 2kuq n GLY 7 Ca 0.01 -1.31 -0.03 0.00 0.00 0.00 0.00 46.02 44.69 2kuq n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kuq n LEU 8 N -1.25 -0.36 -4.37 0.99 -0.00 -1.26 -5.15 117.00 105.61 2kuq n LEU 8 Ca 0.00 -1.62 -0.28 0.00 -0.00 0.00 0.00 56.01 54.10 2kuq n LEU 8 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 2kuq n LEU 8 CO 0.00 1.12 -0.56 0.20 -0.00 0.00 0.00 177.39 178.15 2kuq s ASN 9 N -0.84 3.17 0.43 1.45 0.01 -1.26 -5.05 114.94 112.86 2kuq s ASN 9 Ca 0.05 -0.71 0.23 0.00 -0.71 0.00 0.00 52.86 51.72 2kuq s ASN 9 Cb 0.05 -0.22 0.41 0.00 0.41 0.00 0.00 41.25 41.90 2kuq s ASN 9 CO -0.02 0.18 1.63 0.03 -1.51 0.00 0.00 177.10 177.40 2kuq h ARG 10 N 4.10 0.00 -6.27 -0.60 3.08 -2.01 -3.46 114.38 109.22 2kuq h ARG 10 Ca -0.49 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.10 2kuq h ARG 10 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 2kuq h ARG 10 CO 0.40 0.06 -0.38 -0.51 -1.07 0.00 0.00 179.97 178.48 2kuq s ASP 11 N -6.19 6.17 0.00 7.04 1.01 -1.26 -5.02 116.67 118.42 2kuq s ASP 11 Ca 0.06 -0.00 0.22 0.00 0.71 0.00 0.00 52.55 53.54 2kuq s ASP 11 Cb 0.06 -1.62 1.33 0.00 1.01 0.00 0.00 42.92 43.70 2kuq s ASP 11 CO 0.67 -0.24 1.72 -0.24 0.21 0.00 0.00 175.17 177.29 2kuq n SER 12 N -1.53 0.00 -3.65 0.27 2.88 -1.26 -4.63 113.62 105.70 2kuq n SER 12 Ca -0.05 -0.68 -0.05 0.00 -1.33 0.00 0.00 58.87 56.76 2kuq n SER 12 Cb 0.57 -0.01 -0.07 0.00 -0.75 0.00 0.00 64.21 63.96 2kuq n SER 12 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kuq s VAL 13 N -2.02 -0.53 0.49 2.46 0.11 -1.26 -5.17 120.40 114.49 2kuq s VAL 13 Ca 0.33 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 59.20 2kuq s VAL 13 Cb 0.15 -0.90 -0.07 0.00 -1.53 0.00 0.00 36.38 34.04 2kuq s VAL 13 CO 0.26 0.02 1.17 -2.16 -3.33 0.00 0.00 175.10 171.06 2kuq s PRO 14 N 2.30 3.57 0.00 1.54 0.04 -1.26 -4.96 135.00 136.23 2kuq s PRO 14 Ca -0.07 1.78 0.18 0.00 0.04 0.00 0.00 61.00 62.92 2kuq s PRO 14 Cb -0.09 -2.27 0.76 0.00 0.04 0.00 0.00 34.50 32.94 2kuq s PRO 14 CO -0.18 -0.71 1.56 -0.40 0.04 0.00 0.00 177.00 177.32 2kuq n ASP 15 N -0.79 0.00 -0.09 6.66 5.75 -1.26 -3.46 116.55 123.36 2kuq n ASP 15 Ca 0.09 0.47 0.07 0.00 -0.01 0.00 0.00 54.79 55.41 2kuq n ASP 15 Cb 0.49 -0.49 0.09 0.00 -1.03 0.00 0.00 41.12 40.18 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 -1.49 2.01 -4.67 -1.12 5.15 -1.26 -4.82 115.26 109.06 2kuq n ASN 16 Ca 0.05 -2.69 -0.46 0.00 -0.60 0.00 0.00 54.58 50.88 2kuq n ASN 16 Cb 0.20 -0.30 -0.04 0.00 -0.53 0.00 0.00 39.78 39.11 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 -1.06 2.28 0.61 1.20 -0.00 -1.23 -4.94 115.22 112.08 2kuq n HIS 17 Ca 0.11 0.29 0.13 0.00 0.46 0.00 0.00 57.72 58.70 2kuq n HIS 17 Cb 0.55 -2.53 0.30 0.00 -0.12 0.00 0.00 29.99 28.19 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 3.17 0.27 0.00 1.57 -0.04 -1.26 -4.47 135.00 134.25 2kuq n PRO 18 Ca 0.16 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2kuq n PRO 18 Cb 0.29 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 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 -2.18 0.00 -3.79 0.52 -2.24 -1.26 -5.04 114.28 100.29 2kuq n THR 19 Ca 0.05 -0.05 -0.37 0.00 -2.27 0.00 0.00 64.05 61.40 2kuq n THR 19 Cb 0.43 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 2kuq n THR 19 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kuq s LYS 20 N -0.58 3.63 -0.04 -0.78 2.20 -1.26 -3.58 119.74 119.34 2kuq s LYS 20 Ca 0.00 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 2kuq s LYS 20 Cb 0.00 -3.23 0.03 0.00 -1.51 0.00 0.00 37.83 33.11 2kuq s LYS 20 CO 0.00 0.69 -0.01 -0.06 -0.36 0.00 0.00 175.35 175.61 2kuq s PHE 21 N -0.81 0.44 0.14 4.03 0.08 -0.09 -4.69 117.98 117.08 2kuq s PHE 21 Ca 0.16 -0.06 -0.31 0.00 0.12 0.00 0.00 56.93 56.84 2kuq s PHE 21 Cb -0.13 -0.49 -0.08 0.00 -0.57 0.00 0.00 43.02 41.75 2kuq s PHE 21 CO 0.05 -0.15 1.36 0.15 -0.10 0.00 0.00 175.22 176.52 2kuq s LYS 22 N 1.05 4.34 0.08 0.44 -0.14 -1.26 -0.84 119.74 123.40 2kuq s LYS 22 Ca -0.09 2.07 0.00 0.00 -1.36 0.00 0.00 55.97 56.58 2kuq s LYS 22 Cb -0.14 -3.23 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 2kuq s LYS 22 CO -0.01 -0.37 -0.03 0.14 -0.76 0.00 0.00 175.35 174.31 2kuq s VAL 23 N 0.76 0.39 -0.10 3.17 -7.23 -0.40 -4.76 120.40 112.24 2kuq s VAL 23 Ca 0.62 -1.87 -0.03 0.00 -1.81 0.00 0.00 61.98 58.89 2kuq s VAL 23 Cb -0.37 -1.64 0.04 0.00 0.56 0.00 0.00 36.38 34.97 2kuq s VAL 23 CO 0.33 -0.89 0.07 -0.89 -0.31 0.00 0.00 175.10 173.41 2kuq s THR 24 N -3.82 -0.05 0.43 5.32 2.01 -0.70 -0.61 115.64 118.22 2kuq s THR 24 Ca 0.11 0.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 2kuq s THR 24 Cb 0.07 -0.37 -0.09 0.00 0.01 0.00 0.00 72.50 72.12 2kuq s THR 24 CO -0.07 -0.02 1.41 0.21 -0.69 0.00 0.00 174.62 175.47 2kuq s ASN 25 N 2.14 6.06 0.05 3.53 3.04 -0.91 -0.56 114.94 128.28 2kuq s ASN 25 Ca 0.04 2.89 0.03 0.00 0.04 0.00 0.00 52.86 55.86 2kuq s ASN 25 Cb -0.14 -2.65 -0.02 0.00 -1.54 0.00 0.00 41.25 36.89 2kuq s ASN 25 CO -0.06 -1.05 -0.10 0.68 -3.04 0.00 0.00 177.10 173.54 2kuq s VAL 26 N -1.20 0.70 0.13 -5.21 -7.23 -0.24 -1.27 120.40 106.07 2kuq s VAL 26 Ca 0.58 -1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 59.62 2kuq s VAL 26 Cb -0.43 -0.73 0.03 0.00 0.56 0.00 0.00 36.38 35.80 2kuq s VAL 26 CO 0.56 -0.32 0.17 -0.90 -0.31 0.00 0.00 175.10 174.30 2kuq n ASP 27 N 1.45 0.06 0.05 4.85 5.75 -1.17 -4.46 116.55 123.08 2kuq n ASP 27 Ca -0.22 -1.09 0.09 0.00 -0.01 0.00 0.00 54.79 53.56 2kuq n ASP 27 Cb 0.55 -0.13 0.37 0.00 -1.03 0.00 0.00 41.12 40.88 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 -3.08 0.24 -0.84 -1.12 5.75 -1.26 -1.64 116.55 114.61 2kuq n ASP 28 Ca 0.02 0.56 0.11 0.00 -0.01 0.00 0.00 54.79 55.47 2kuq n ASP 28 Cb 0.08 -0.61 0.09 0.00 -1.03 0.00 0.00 41.12 39.64 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 -1.77 1.92 -1.04 0.11 1.02 -1.26 -5.00 120.64 114.61 2kuq n GLU 29 Ca 0.03 -1.75 -0.01 0.00 -0.02 0.00 0.00 57.16 55.41 2kuq n GLU 29 Cb 0.19 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 2kuq n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kuq n GLY 30 N 1.18 0.51 3.72 0.62 0.00 -0.65 -5.03 105.19 105.55 2kuq n GLY 30 Ca 0.12 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 4.88 -0.01 1.61 1.01 -1.26 -4.79 120.40 119.82 2kuq s VAL 31 Ca 0.00 1.82 -0.30 0.00 0.00 0.00 0.00 61.98 63.50 2kuq s VAL 31 Cb 0.00 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 2kuq s VAL 31 CO 0.00 0.22 1.72 -1.61 0.00 0.00 0.00 175.10 175.43 2kuq s GLU 32 N 0.74 4.18 -0.16 2.72 2.02 -1.26 -3.06 118.70 123.88 2kuq s GLU 32 Ca 0.46 2.31 -0.13 0.00 0.02 0.00 0.00 54.97 57.62 2kuq s GLU 32 Cb -0.20 -3.94 -0.09 0.00 0.10 0.00 0.00 34.13 30.00 2kuq s GLU 32 CO 0.24 -0.84 -0.03 -0.07 0.02 0.00 0.00 175.26 174.58 2kuq h LEU 33 N 9.95 0.00 -7.00 1.80 4.07 -1.52 -3.50 115.31 119.11 2kuq h LEU 33 Ca -0.42 -0.18 0.13 0.00 0.08 0.00 0.00 57.88 57.49 2kuq h LEU 33 Cb 1.20 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.73 2kuq h LEU 33 CO 0.95 1.00 0.62 -0.83 -1.08 0.00 0.00 178.44 179.09 2kuq s GLY 34 N -4.43 -0.28 0.29 0.83 0.00 -1.26 -4.85 107.32 97.63 2kuq s GLY 34 Ca -0.19 1.81 -0.22 0.00 0.00 0.00 0.00 44.72 46.12 2kuq s GLY 34 CO 0.34 0.80 0.83 -1.35 0.00 0.00 0.00 173.10 173.72 2kuq s SER 35 N -1.59 7.12 0.25 1.64 1.04 -1.26 -2.14 113.70 118.75 2kuq s SER 35 Ca 0.03 1.59 -0.01 0.00 0.48 0.00 0.00 55.95 58.03 2kuq s SER 35 Cb -0.01 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 2kuq s SER 35 CO -0.03 -0.08 0.24 -0.83 0.98 0.00 0.00 173.24 173.53 2kuq s GLY 36 N -1.77 1.51 -0.23 7.32 0.00 0.22 -4.40 107.32 109.96 2kuq s GLY 36 Ca 0.49 -1.65 0.02 0.00 0.00 0.00 0.00 44.72 43.58 2kuq s GLY 36 CO 0.21 -1.27 -0.13 0.14 0.00 0.00 0.00 173.10 172.04 2kuq s VAL 37 N -3.89 2.09 0.01 1.40 1.01 0.05 -1.27 120.40 119.80 2kuq s VAL 37 Ca 0.36 -1.41 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 2kuq s VAL 37 Cb 0.04 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 2kuq s VAL 37 CO 0.16 0.13 0.35 -0.32 0.00 0.00 0.00 175.10 175.41 2kuq s MET 38 N 1.17 3.76 -0.11 2.72 0.00 -0.02 -0.91 119.30 125.90 2kuq s MET 38 Ca -0.05 0.20 -0.06 0.00 0.00 0.00 0.00 55.69 55.79 2kuq s MET 38 Cb -0.18 -3.13 0.05 0.00 0.00 0.00 0.00 34.83 31.57 2kuq s MET 38 CO -0.07 0.66 0.26 -2.00 0.00 0.00 0.00 175.02 173.86 2kuq s GLU 39 N -1.42 0.22 -0.14 4.11 2.12 0.15 -0.92 118.70 122.82 2kuq s GLU 39 Ca 0.26 0.56 0.01 0.00 0.36 0.00 0.00 54.97 56.15 2kuq s GLU 39 Cb -0.15 -0.11 -0.00 0.00 0.26 0.00 0.00 34.13 34.13 2kuq s GLU 39 CO 0.14 -0.17 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.02 2kuq s LEU 40 N 1.29 2.44 0.46 2.70 1.02 -1.23 -0.20 118.68 125.17 2kuq s LEU 40 Ca -0.09 -0.46 0.04 0.00 0.02 0.00 0.00 54.13 53.64 2kuq s LEU 40 Cb -0.10 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 2kuq s LEU 40 CO -0.09 0.12 0.01 0.42 0.02 0.00 0.00 176.35 176.83 2kuq s THR 41 N 0.61 1.56 -1.79 5.49 -4.23 -0.97 -4.98 115.64 111.32 2kuq s THR 41 Ca -0.09 -1.99 0.15 0.00 -1.18 0.00 0.00 61.69 58.58 2kuq s THR 41 Cb -0.16 -2.55 0.37 0.00 1.34 0.00 0.00 72.50 71.50 2kuq s THR 41 CO 0.03 0.00 1.36 0.00 -0.54 0.00 0.00 174.62 175.47 2kuq n GLN 42 N -1.13 0.38 -0.07 3.99 6.02 -1.26 -3.63 117.38 121.68 2kuq n GLN 42 Ca -0.12 0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 56.81 2kuq n GLN 42 Cb 0.67 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.37 2kuq n GLN 42 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kuq n SER 43 N -1.10 2.63 -3.68 1.08 7.64 -1.26 -5.12 113.62 113.81 2kuq n SER 43 Ca 0.10 -0.04 -0.02 0.00 1.01 0.00 0.00 58.87 59.92 2kuq n SER 43 Cb 0.08 -0.26 -0.01 0.00 -1.01 0.00 0.00 64.21 63.01 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 -2.28 0.84 -0.03 1.43 -1.05 -1.24 -4.33 118.70 112.04 2kuq s GLU 44 Ca -0.19 -0.45 -0.29 0.00 -0.15 0.00 0.00 54.97 53.89 2kuq s GLU 44 Cb 0.05 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 34.01 2kuq s GLU 44 CO 0.32 -0.38 0.94 -1.17 0.95 0.00 0.00 175.26 175.91 2kuq s LEU 45 N -2.89 4.34 0.00 1.83 0.20 -0.52 -2.29 118.68 119.35 2kuq s LEU 45 Ca 0.12 1.56 0.08 0.00 0.69 0.00 0.00 54.13 56.58 2kuq s LEU 45 Cb 0.01 -3.49 -0.02 0.00 -0.43 0.00 0.00 46.19 42.26 2kuq s LEU 45 CO -0.01 -0.27 -0.25 -0.69 -0.29 0.00 0.00 176.35 174.84 2kuq s VAL 46 N 1.15 1.97 -0.16 1.68 1.01 0.73 -1.03 120.40 125.75 2kuq s VAL 46 Ca 0.49 -1.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 2kuq s VAL 46 Cb -0.20 -1.66 0.07 0.00 0.00 0.00 0.00 36.38 34.60 2kuq s VAL 46 CO 0.25 0.47 0.18 -0.22 0.00 0.00 0.00 175.10 175.77 2kuq s LEU 47 N -0.82 -0.02 -0.11 3.92 0.20 0.01 -0.68 118.68 121.19 2kuq s LEU 47 Ca 0.10 -0.09 -0.19 0.00 0.69 0.00 0.00 54.13 54.64 2kuq s LEU 47 Cb -0.10 0.24 -0.04 0.00 -0.43 0.00 0.00 46.19 45.86 2kuq s LEU 47 CO 0.00 -0.30 0.52 -1.00 -0.29 0.00 0.00 176.35 175.28 2kuq s HIS 48 N 2.28 3.53 0.23 5.38 3.76 -0.09 -0.58 115.29 129.80 2kuq s HIS 48 Ca 0.05 0.96 0.05 0.00 -0.15 0.00 0.00 55.06 55.97 2kuq s HIS 48 Cb -0.14 -2.59 -0.05 0.00 1.11 0.00 0.00 32.58 30.90 2kuq s HIS 48 CO -0.09 0.16 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.39 2kuq s LEU 49 N 0.61 2.41 -0.17 0.89 1.43 -1.26 -0.77 118.68 121.82 2kuq s LEU 49 Ca 0.28 -1.13 0.17 0.00 -1.03 0.00 0.00 54.13 52.42 2kuq s LEU 49 Cb -0.16 -0.48 -0.25 0.00 0.03 0.00 0.00 46.19 45.34 2kuq s LEU 49 CO 0.12 -0.36 0.18 1.57 0.23 0.00 0.00 176.35 178.09 2kuq n HIS 50 N -0.42 0.18 0.40 0.29 -0.00 -1.26 -4.44 115.22 109.96 2kuq n HIS 50 Ca -0.07 0.06 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 2kuq n HIS 50 Cb 0.62 -1.03 0.16 0.00 -0.00 0.00 0.00 29.99 29.75 2kuq n HIS 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kuq h ARG 51 N 0.00 0.00 -4.27 1.57 2.47 -1.98 -3.48 114.38 108.69 2kuq h ARG 51 Ca -0.50 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.07 2kuq h ARG 51 Cb 2.19 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 30.37 2kuq h ARG 51 CO 0.04 0.00 -0.58 1.03 0.56 0.00 0.00 179.97 181.02 2kuq s ARG 52 N -3.21 0.93 0.98 0.04 3.00 -1.26 -5.11 118.95 114.31 2kuq s ARG 52 Ca 0.05 -1.34 -0.12 0.00 0.00 0.00 0.00 55.73 54.32 2kuq s ARG 52 Cb 0.11 0.27 0.18 0.00 0.00 0.00 0.00 34.95 35.51 2kuq s ARG 52 CO 0.71 -0.27 1.08 -1.21 0.00 0.00 0.00 175.30 175.61 2kuq s GLU 53 N -4.01 0.54 0.18 3.54 0.41 -1.26 -4.23 118.70 113.87 2kuq s GLU 53 Ca 0.20 0.90 -0.32 0.00 -0.41 0.00 0.00 54.97 55.34 2kuq s GLU 53 Cb 0.07 -1.72 -0.11 0.00 -1.78 0.00 0.00 34.13 30.59 2kuq s GLU 53 CO -0.01 -2.76 1.70 0.00 -0.49 0.00 0.00 175.26 173.71 2kuq s ALA 54 N -2.77 3.87 -0.16 5.21 0.00 -1.26 -4.57 121.76 122.08 2kuq s ALA 54 Ca 0.65 1.50 -0.04 0.00 0.00 0.00 0.00 51.96 54.08 2kuq s ALA 54 Cb -0.21 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 2kuq s ALA 54 CO 0.59 -0.94 -0.03 0.08 0.00 0.00 0.00 175.76 175.46 2kuq s VAL 55 N 1.45 3.97 0.02 0.00 1.01 0.26 -4.94 120.40 122.16 2kuq s VAL 55 Ca 0.75 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.46 2kuq s VAL 55 Cb -0.47 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 2kuq s VAL 55 CO 0.32 0.49 -0.18 -0.13 0.00 0.00 0.00 175.10 175.60 2kuq s ARG 56 N 0.34 1.35 -0.17 2.72 3.00 -1.26 -0.81 118.95 124.12 2kuq s ARG 56 Ca -0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 55.73 54.89 2kuq s ARG 56 Cb -0.14 -1.38 0.05 0.00 0.00 0.00 0.00 34.95 33.48 2kuq s ARG 56 CO 0.03 0.36 0.02 -1.58 0.00 0.00 0.00 175.30 174.13 2kuq s TRP 57 N -0.64 0.96 0.35 -0.53 0.51 -0.20 -4.38 118.94 115.02 2kuq s TRP 57 Ca 0.06 -0.71 -0.28 0.00 -2.12 0.00 0.00 56.10 53.06 2kuq s TRP 57 Cb -0.08 -0.99 -0.10 0.00 -0.81 0.00 0.00 33.47 31.50 2kuq s TRP 57 CO 0.01 -0.55 1.31 -1.25 -0.51 0.00 0.00 176.95 175.96 2kuq s PRO 58 N 1.88 4.25 0.60 4.98 0.04 -1.26 -1.43 135.00 144.06 2kuq s PRO 58 Ca 0.01 2.20 0.37 0.00 0.04 0.00 0.00 61.00 63.61 2kuq s PRO 58 Cb -0.16 -2.99 1.94 0.00 0.04 0.00 0.00 34.50 33.34 2kuq s PRO 58 CO -0.07 -0.27 2.22 1.88 0.04 0.00 0.00 177.00 180.80 2kuq h TYR 59 N 3.19 0.00 0.00 0.56 0.05 -1.94 -0.82 116.97 118.01 2kuq h TYR 59 Ca -0.49 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.25 2kuq h TYR 59 Cb 1.23 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.97 2kuq h TYR 59 CO 0.55 0.03 -0.17 1.37 -1.05 0.00 0.00 178.16 178.89 2kuq h LEU 60 N 0.00 0.00 0.00 3.88 8.10 -1.92 -3.08 115.31 122.29 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 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.38 2kuq h LEU 60 CO 0.00 0.17 -0.79 0.00 -4.11 0.00 0.00 178.44 173.71 2kuq s LEU 62 N -3.67 3.36 0.15 0.00 1.43 -1.13 -2.04 118.68 116.77 2kuq s LEU 62 Ca 0.07 0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 53.45 2kuq s LEU 62 Cb 0.15 -2.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 2kuq s LEU 62 CO 0.76 -1.96 1.52 -0.09 0.23 0.00 0.00 176.35 176.80 2kuq h ARG 63 N 12.64 0.98 -2.38 1.70 9.65 -1.80 -3.43 114.38 131.74 2kuq h ARG 63 Ca -0.28 -0.46 0.02 0.00 -1.10 0.00 0.00 59.98 58.17 2kuq h ARG 63 Cb 1.12 -0.01 -0.16 0.00 -1.39 0.00 0.00 29.97 29.53 2kuq h ARG 63 CO 1.18 1.13 0.33 -0.98 2.80 0.00 0.00 179.97 184.43 2kuq s ARG 64 N -4.55 1.01 -0.14 0.20 1.70 -1.26 -4.43 118.95 111.47 2kuq s ARG 64 Ca -0.11 -0.18 -0.22 0.00 -0.47 0.00 0.00 55.73 54.75 2kuq s ARG 64 Cb 0.12 0.47 0.05 0.00 -0.57 0.00 0.00 34.95 35.02 2kuq s ARG 64 CO 0.88 -0.40 0.56 1.52 -1.08 0.00 0.00 175.30 176.78 2kuq s TYR 65 N -2.65 -0.57 0.28 5.89 -0.85 -0.82 -1.08 117.35 117.55 2kuq s TYR 65 Ca -0.01 1.24 -0.08 0.00 -0.52 0.00 0.00 57.07 57.70 2kuq s TYR 65 Cb -0.01 0.25 -0.00 0.00 0.38 0.00 0.00 41.96 42.57 2kuq s TYR 65 CO -0.05 -0.39 0.44 0.20 -1.52 0.00 0.00 175.55 174.23 2kuq s GLY 66 N -0.33 0.97 -0.27 5.49 0.00 0.26 -0.53 107.32 112.92 2kuq s GLY 66 Ca -0.05 -1.20 -0.01 0.00 0.00 0.00 0.00 44.72 43.47 2kuq s GLY 66 CO 0.04 -0.84 0.48 -2.52 0.00 0.00 0.00 173.10 170.26 2kuq s TYR 67 N -3.64 -1.23 0.42 1.90 1.13 -1.13 -1.45 117.35 113.35 2kuq s TYR 67 Ca 0.27 1.11 0.05 0.00 -1.41 0.00 0.00 57.07 57.09 2kuq s TYR 67 Cb 0.00 0.22 0.07 0.00 -1.10 0.00 0.00 41.96 41.16 2kuq s TYR 67 CO 0.13 -0.85 0.58 -3.47 -2.51 0.00 0.00 175.55 169.44 2kuq n ASP 68 N 5.39 1.34 -4.61 -0.18 -0.08 0.20 -4.82 116.55 113.78 2kuq n ASP 68 Ca -0.01 -2.00 -0.43 0.00 -1.51 0.00 0.00 54.79 50.84 2kuq n ASP 68 Cb 0.51 -0.33 -0.03 0.00 2.34 0.00 0.00 41.12 43.61 2kuq n ASP 68 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2kuq n SER 69 N -2.63 3.49 -1.49 1.67 3.41 -1.26 -2.23 113.62 114.59 2kuq n SER 69 Ca 0.11 0.41 -0.17 0.00 -0.26 0.00 0.00 58.87 58.96 2kuq n SER 69 Cb 0.41 -1.54 -0.06 0.00 -0.26 0.00 0.00 64.21 62.76 2kuq n SER 69 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kuq n ASN 70 N 10.47 -5.10 -3.82 4.04 5.15 -1.26 -4.99 115.26 119.74 2kuq n ASN 70 Ca 0.27 0.32 -0.12 0.00 -0.60 0.00 0.00 54.58 54.45 2kuq n ASN 70 Cb 0.43 -4.14 -0.13 0.00 -0.53 0.00 0.00 39.78 35.41 2kuq n ASN 70 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2kuq s LEU 71 N -4.21 1.48 -0.03 1.20 2.96 -0.95 -1.18 118.68 117.95 2kuq s LEU 71 Ca 0.00 0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 2kuq s LEU 71 Cb 0.00 0.44 -0.00 0.00 0.50 0.00 0.00 46.19 47.13 2kuq s LEU 71 CO 0.00 -0.05 -0.14 0.12 -1.32 0.00 0.00 176.35 174.96 2kuq s PHE 72 N 0.11 1.41 0.01 5.38 5.36 -0.08 -0.63 117.98 129.53 2kuq s PHE 72 Ca -0.00 -0.37 -0.10 0.00 -0.96 0.00 0.00 56.93 55.50 2kuq s PHE 72 Cb -0.01 -0.96 0.01 0.00 -0.34 0.00 0.00 43.02 41.72 2kuq s PHE 72 CO -0.00 -0.12 0.20 0.45 -1.46 0.00 0.00 175.22 174.29 2kuq s SER 73 N 0.02 -0.03 0.15 6.13 0.15 -0.53 -0.94 113.70 118.64 2kuq s SER 73 Ca -0.02 -0.16 -0.21 0.00 0.70 0.00 0.00 55.95 56.26 2kuq s SER 73 Cb -0.10 0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.53 2kuq s SER 73 CO 0.01 -0.43 0.55 0.72 1.20 0.00 0.00 173.24 175.29 2kuq s PHE 74 N -1.62 -0.46 -0.16 3.44 -0.12 -0.77 -0.57 117.98 117.72 2kuq s PHE 74 Ca -0.12 0.24 -0.03 0.00 -0.05 0.00 0.00 56.93 56.97 2kuq s PHE 74 Cb -0.06 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 2kuq s PHE 74 CO 0.01 -0.81 -0.06 -2.00 -0.05 0.00 0.00 175.22 172.32 2kuq s GLU 75 N -3.70 3.56 0.10 1.99 2.12 -0.24 -1.63 118.70 120.91 2kuq s GLU 75 Ca 0.01 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.78 2kuq s GLU 75 Cb -0.00 -2.85 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 2kuq s GLU 75 CO -0.12 0.18 0.24 -1.54 -0.54 0.00 0.00 175.26 173.48 2kuq s SER 76 N 0.49 6.32 0.56 -1.70 1.04 -0.09 -2.52 113.70 117.80 2kuq s SER 76 Ca -0.05 0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.54 2kuq s SER 76 Cb -0.15 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2kuq s SER 76 CO 0.03 0.11 0.87 -0.83 0.98 0.00 0.00 173.24 174.40 2kuq s GLY 77 N -2.85 1.59 0.00 7.32 0.00 -0.87 -3.08 107.32 109.43 2kuq s GLY 77 Ca 0.35 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.38 2kuq s GLY 77 CO 0.28 -0.43 0.35 -0.96 0.00 0.00 0.00 173.10 172.34 2kuq n ARG 78 N -2.50 0.43 -1.08 2.90 0.00 -1.26 -3.28 116.66 111.87 2kuq n ARG 78 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.91 2kuq n ARG 78 Cb 0.57 -1.08 0.01 0.00 -0.00 0.00 0.00 32.46 31.96 2kuq n ARG 78 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2kuq n ARG 79 N -0.22 0.00 -3.03 2.89 -4.01 -1.26 -4.71 116.66 106.33 2kuq n ARG 79 Ca 0.00 -1.52 -0.16 0.00 -1.04 0.00 0.00 57.85 55.13 2kuq n ARG 79 Cb 0.04 -0.16 -0.01 0.00 -3.04 0.00 0.00 32.46 29.29 2kuq n ARG 79 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kuq h GLN 81 N 0.00 0.00 -0.00 0.00 4.20 -1.93 -3.04 115.11 114.35 2kuq h GLN 81 Ca -0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.50 2kuq h GLN 81 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2kuq h GLN 81 CO 0.34 0.00 -0.75 0.25 -0.67 0.00 0.00 178.83 178.00 2kuq n THR 82 N -4.51 0.00 -4.29 -0.54 -2.24 -1.26 -5.12 114.28 96.33 2kuq n THR 82 Ca -0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2kuq n THR 82 Cb 0.14 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 1.37 -1.47 3.67 3.38 0.00 -1.15 -4.82 105.19 106.17 2kuq n GLY 83 Ca 0.03 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 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 4.32 0.01 1.61 0.74 -1.21 -4.38 119.66 120.75 2kuq s GLN 84 Ca 0.00 1.50 -0.18 0.00 0.05 0.00 0.00 55.36 56.73 2kuq s GLN 84 Cb 0.00 -3.62 0.06 0.00 1.10 0.00 0.00 33.01 30.55 2kuq s GLN 84 CO 0.00 -0.52 0.83 0.41 -0.55 0.00 0.00 175.29 175.46 2kuq n GLY 85 N 3.33 0.45 3.09 2.59 0.00 -1.18 -4.98 105.19 108.50 2kuq n GLY 85 Ca 0.11 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.09 1.16 -0.00 -0.61 1.01 -1.25 -0.92 121.20 118.50 2kuq s ILE 86 Ca 0.19 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.29 2kuq s ILE 86 Cb -0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 2kuq s ILE 86 CO 0.00 0.34 -0.11 -0.36 0.00 0.00 0.00 174.94 174.82 2kuq s PHE 87 N -0.01 0.96 0.01 3.97 0.08 -0.64 -0.81 117.98 121.54 2kuq s PHE 87 Ca -0.01 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 56.84 2kuq s PHE 87 Cb -0.09 -0.61 -0.01 0.00 -0.57 0.00 0.00 43.02 41.74 2kuq s PHE 87 CO 0.01 -0.01 -0.05 0.00 -0.10 0.00 0.00 175.22 175.07 2kuq s ALA 88 N -0.36 0.39 -0.05 5.36 0.00 -1.26 -1.85 121.76 123.98 2kuq s ALA 88 Ca 0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 2kuq s ALA 88 Cb -0.05 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.09 2kuq s ALA 88 CO -0.00 0.03 0.12 -0.06 0.00 0.00 0.00 175.76 175.84 2kuq s PHE 89 N -0.63 -0.11 0.22 0.00 0.40 -0.12 -1.08 117.98 116.66 2kuq s PHE 89 Ca -0.04 0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 56.38 2kuq s PHE 89 Cb -0.05 -0.11 -0.08 0.00 0.51 0.00 0.00 43.02 43.28 2kuq s PHE 89 CO -0.00 -0.14 1.08 0.15 0.70 0.00 0.00 175.22 177.01 2kuq s LYS 90 N 1.06 4.64 -0.29 0.44 1.02 0.27 -0.91 119.74 125.98 2kuq s LYS 90 Ca -0.08 1.73 -0.16 0.00 0.02 0.00 0.00 55.97 57.48 2kuq s LYS 90 Cb -0.11 -3.25 0.14 0.00 -0.52 0.00 0.00 37.83 34.10 2kuq s LYS 90 CO -0.05 0.17 0.93 0.00 -0.92 0.00 0.00 175.35 175.48 2kuq h SER 92 N 6.53 0.00 -0.48 0.00 4.64 -1.87 -2.99 113.55 119.37 2kuq h SER 92 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2kuq h SER 92 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2kuq h SER 92 CO 0.17 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 176.68 2kuq n ARG 93 N -3.12 3.93 -0.29 4.77 1.74 -1.26 -4.68 116.66 117.75 2kuq n ARG 93 Ca 0.01 -2.94 0.24 0.00 -0.77 0.00 0.00 57.85 54.38 2kuq n ARG 93 Cb 0.32 -2.00 0.55 0.00 -1.02 0.00 0.00 32.46 30.31 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 3.24 2.37 -0.78 7.54 0.00 -1.85 -0.53 119.26 129.24 2kuq h ALA 94 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kuq h ALA 94 Cb 1.63 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 2kuq h ALA 94 CO 0.32 -0.72 0.46 1.49 0.00 0.00 0.00 179.25 180.80 2kuq h GLU 95 N 0.33 1.07 -0.21 0.00 4.22 -1.88 -0.92 114.58 117.20 2kuq h GLU 95 Ca 0.55 -0.11 -0.16 0.00 0.08 0.00 0.00 59.36 59.72 2kuq h GLU 95 Cb 1.51 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2kuq h GLU 95 CO -0.21 0.77 -0.53 0.93 -2.18 0.00 0.00 179.01 177.78 2kuq h GLU 96 N 1.07 0.61 -0.12 1.92 5.08 -1.48 -1.57 114.58 120.10 2kuq h GLU 96 Ca 0.28 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2kuq h GLU 96 Cb -0.02 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2kuq h GLU 96 CO -0.05 0.99 0.05 0.82 -1.00 0.00 0.00 179.01 179.82 2kuq h ILE 97 N 0.47 1.15 -0.52 3.13 2.04 -1.30 -0.80 117.51 121.69 2kuq h ILE 97 Ca 0.01 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.47 2kuq h ILE 97 Cb 1.09 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 2kuq h ILE 97 CO 0.10 0.13 0.29 0.15 0.00 0.00 0.00 178.15 178.83 2kuq h PHE 98 N 0.04 0.54 -0.06 1.37 3.57 -1.13 0.10 116.94 121.38 2kuq h PHE 98 Ca 0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2kuq h PHE 98 Cb 0.17 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 2kuq h PHE 98 CO -0.02 0.29 0.02 -0.91 -2.23 0.00 0.00 178.31 175.47 2kuq h ASN 99 N 0.58 0.08 -0.94 0.41 2.35 -1.21 -2.11 115.58 114.74 2kuq h ASN 99 Ca 0.22 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2kuq h ASN 99 Cb 0.06 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 2kuq h ASN 99 CO -0.12 0.22 0.57 0.25 -1.65 0.00 0.00 177.43 176.70 2kuq h LEU 100 N -0.07 1.13 0.21 1.61 5.85 -0.95 -0.14 115.31 122.94 2kuq h LEU 100 Ca 0.02 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2kuq h LEU 100 Cb 0.17 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 2kuq h LEU 100 CO -0.00 0.86 -0.13 0.25 -0.34 0.00 0.00 178.44 179.08 2kuq h LEU 101 N 1.29 -0.33 -0.97 2.25 5.85 -0.90 -1.51 115.31 120.99 2kuq h LEU 101 Ca 0.34 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.98 2kuq h LEU 101 Cb -0.06 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2kuq h LEU 101 CO -0.06 -0.22 -0.34 0.06 -0.34 0.00 0.00 178.44 177.54 2kuq h GLN 102 N -0.34 0.32 -0.77 1.25 3.07 -1.13 -2.26 115.11 115.26 2kuq h GLN 102 Ca -0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 58.65 58.54 2kuq h GLN 102 Cb 0.28 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.80 2kuq h GLN 102 CO 0.02 0.63 0.30 -0.44 0.09 0.00 0.00 178.83 179.43 2kuq h ASP 103 N 0.28 1.08 0.85 0.06 3.32 -0.87 0.28 116.42 121.42 2kuq h ASP 103 Ca 0.03 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.81 2kuq h ASP 103 Cb 0.74 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2kuq h ASP 103 CO 0.06 0.96 -0.46 -0.07 -1.72 0.00 0.00 179.24 178.01 2kuq h LEU 104 N 1.12 0.00 0.08 1.55 3.38 -1.14 -0.78 115.31 119.53 2kuq h LEU 104 Ca 0.26 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.94 2kuq h LEU 104 Cb 0.23 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.00 2kuq h LEU 104 CO -0.02 0.46 -1.22 0.24 0.09 0.00 0.00 178.44 178.00 2kuq h MET 105 N 0.00 0.53 0.02 1.13 2.86 -1.01 -3.38 114.93 115.09 2kuq h MET 105 Ca -0.00 -0.72 -0.29 0.00 -2.06 0.00 0.00 59.70 56.62 2kuq h MET 105 Cb 1.01 0.24 -0.04 0.00 0.06 0.00 0.00 31.60 32.87 2kuq h MET 105 CO 0.06 1.32 -1.66 -0.56 1.06 0.00 0.00 176.91 177.13 2kuq h GLN 106 N 0.23 0.05 -6.11 1.72 3.07 -0.95 -3.47 115.11 109.64 2kuq h GLN 106 Ca -0.17 -0.08 -0.46 0.00 0.09 0.00 0.00 58.65 58.03 2kuq h GLN 106 Cb 1.89 0.03 -0.04 0.00 0.08 0.00 0.00 27.48 29.44 2kuq h GLN 106 CO 0.22 0.67 -0.73 0.00 0.09 0.00 0.00 178.83 179.09 2kuq s ASN 108 N -3.19 -0.38 0.00 0.00 2.47 -1.26 -4.97 114.94 107.61 2kuq s ASN 108 Ca 0.62 0.15 0.00 0.00 0.42 0.00 0.00 52.86 54.05 2kuq s ASN 108 Cb -0.31 0.46 0.00 0.00 -1.45 0.00 0.00 41.25 39.94 2kuq s ASN 108 CO 0.77 -0.67 0.00 -1.20 -3.72 0.00 0.00 177.10 172.28 2kuq n SER 109 N 0.56 -3.54 -4.63 -4.21 7.64 -1.26 -4.98 113.62 103.20 2kuq n SER 109 Ca -0.19 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.26 2kuq n SER 109 Cb 0.59 -1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 62.22 2kuq n SER 109 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kuq s ILE 110 N -1.80 3.98 0.01 0.44 1.09 -1.26 -5.00 121.20 118.66 2kuq s ILE 110 Ca 0.00 1.11 0.02 0.00 -1.10 0.00 0.00 60.65 60.68 2kuq s ILE 110 Cb 0.00 -4.00 -0.01 0.00 -1.06 0.00 0.00 42.46 37.39 2kuq s ILE 110 CO 0.00 -0.42 -0.08 0.20 -0.10 0.00 0.00 174.94 174.55 2kuq s ASN 111 N 3.30 0.88 0.14 3.58 0.01 -1.26 -5.15 114.94 116.44 2kuq s ASN 111 Ca 0.62 -0.26 -0.30 0.00 -0.71 0.00 0.00 52.86 52.20 2kuq s ASN 111 Cb -0.19 -0.06 -0.07 0.00 0.41 0.00 0.00 41.25 41.34 2kuq s ASN 111 CO 0.25 0.00 1.19 0.54 -1.51 0.00 0.00 177.10 177.58 2kuq s VAL 112 N -0.54 3.77 -0.22 1.60 0.11 -1.26 -5.03 120.40 118.83 2kuq s VAL 112 Ca -0.01 1.40 -0.17 0.00 -2.93 0.00 0.00 61.98 60.27 2kuq s VAL 112 Cb -0.05 -3.89 0.06 0.00 -1.53 0.00 0.00 36.38 30.97 2kuq s VAL 112 CO 0.00 0.18 0.57 0.00 -3.33 0.00 0.00 175.10 172.52 2kuq s MET 113 N 0.26 0.62 0.09 1.54 0.23 -1.26 -5.17 119.30 115.61 2kuq s MET 113 Ca 0.55 0.90 -0.26 0.00 -1.03 0.00 0.00 55.69 55.85 2kuq s MET 113 Cb -0.31 0.21 -0.06 0.00 -1.53 0.00 0.00 34.83 33.13 2kuq s MET 113 CO 0.33 -0.11 0.80 -1.83 -2.03 0.00 0.00 175.02 172.18 2kuq s GLU 114 N 0.86 4.55 0.02 3.16 1.03 -1.26 -5.08 118.70 121.98 2kuq s GLU 114 Ca -0.04 1.15 -0.17 0.00 0.03 0.00 0.00 54.97 55.93 2kuq s GLU 114 Cb -0.05 -3.33 0.03 0.00 -0.80 0.00 0.00 34.13 29.98 2kuq s GLU 114 CO -0.07 0.37 0.37 -1.21 -1.33 0.00 0.00 175.26 173.39 2kuq s GLU 115 N -0.41 0.83 0.86 -4.83 2.02 -1.26 -5.18 118.70 110.72 2kuq s GLU 115 Ca 0.39 -0.31 -0.11 0.00 0.02 0.00 0.00 54.97 54.95 2kuq s GLU 115 Cb -0.22 0.37 0.10 0.00 0.10 0.00 0.00 34.13 34.48 2kuq s GLU 115 CO 0.25 -0.26 1.09 -1.25 0.02 0.00 0.00 175.26 175.11 2kuq s PRO 116 N -2.08 1.59 -0.00 0.39 0.04 -1.26 -5.09 135.00 128.58 2kuq s PRO 116 Ca -0.08 0.85 0.02 0.00 0.04 0.00 0.00 61.00 61.84 2kuq s PRO 116 Cb -0.02 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 2kuq s PRO 116 CO 0.00 -2.02 -0.07 0.54 0.04 0.00 0.00 177.00 175.49 2kuq s VAL 117 N -2.97 0.57 -0.13 -0.36 0.11 -1.26 -5.15 120.40 111.21 2kuq s VAL 117 Ca 0.62 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 59.36 2kuq s VAL 117 Cb -0.17 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2kuq s VAL 117 CO 0.56 0.15 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.66 2kuq s ILE 118 N -0.20 2.42 -0.27 7.04 1.09 -1.26 -5.12 121.20 124.91 2kuq s ILE 118 Ca 0.02 -0.87 -0.11 0.00 -1.10 0.00 0.00 60.65 58.59 2kuq s ILE 118 Cb -0.03 -1.98 -0.05 0.00 -1.06 0.00 0.00 42.46 39.34 2kuq s ILE 118 CO -0.00 0.54 0.19 -0.63 -0.10 0.00 0.00 174.94 174.93 2kuq s ILE 119 N 0.56 5.32 -0.01 2.92 -1.09 -1.26 -4.99 121.20 122.65 2kuq s ILE 119 Ca -0.12 0.19 -0.04 0.00 -2.23 0.00 0.00 60.65 58.45 2kuq s ILE 119 Cb -0.16 -3.53 -0.00 0.00 -1.58 0.00 0.00 42.46 37.19 2kuq s ILE 119 CO 0.04 0.28 0.08 -0.89 -1.23 0.00 0.00 174.94 173.22 2kuq s THR 120 N 1.55 0.06 0.03 2.92 2.01 -1.26 -5.18 115.64 115.77 2kuq s THR 120 Ca 0.07 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.64 2kuq s THR 120 Cb -0.15 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.06 2kuq s THR 120 CO 0.09 -0.25 -0.07 -0.44 -0.69 0.00 0.00 174.62 173.26 2kuq s SER 121 N -0.81 0.80 0.00 3.53 0.01 -1.26 -5.03 113.70 110.94 2kuq s SER 121 Ca -0.09 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2kuq s SER 121 Cb -0.05 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2kuq s SER 121 CO 0.00 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2kuq n GLY 122 N 1.78 0.80 3.60 3.44 0.00 -1.26 -5.16 105.19 108.40 2kuq n GLY 122 Ca -0.21 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.00 -0.27 0.33 1.61 0.15 -1.26 -5.19 113.70 108.08 2kuq s SER 123 Ca 0.00 -0.52 -0.01 0.00 0.70 0.00 0.00 55.95 56.11 2kuq s SER 123 Cb 0.00 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 64.89 2kuq s SER 123 CO 0.00 -1.13 0.56 -0.94 1.20 0.00 0.00 173.24 172.93 2kuq s SER 124 N -2.89 6.34 0.00 5.45 1.04 -1.26 -4.76 113.70 117.62 2kuq s SER 124 Ca 0.10 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2kuq s SER 124 Cb -0.02 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 64.02 2kuq s SER 124 CO 0.00 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2kuq n GLY 125 N -1.53 -0.89 2.50 7.32 0.00 -1.26 -5.05 105.19 106.28 2kuq n GLY 125 Ca -0.04 0.23 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 2kuq n GLY 125 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kuq n SER 126 N -1.37 -4.74 -4.84 1.61 2.88 -1.26 -5.01 113.62 100.88 2kuq n SER 126 Ca 0.00 0.19 -0.36 0.00 -1.33 0.00 0.00 58.87 57.37 2kuq n SER 126 Cb 0.00 -2.91 -0.07 0.00 -0.75 0.00 0.00 64.21 60.48 2kuq n SER 126 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kuq s SER 127 N -2.49 6.15 0.00 -3.46 0.15 -1.26 -5.01 113.70 107.78 2kuq s SER 127 Ca 0.00 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2kuq s SER 127 Cb 0.00 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 2kuq s SER 127 CO 0.00 0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2kuq n GLY 128 N 1.94 0.24 3.57 9.45 0.00 -1.26 -5.06 105.19 114.07 2kuq n GLY 128 Ca -0.19 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.55 -0.24 0.03 1.61 1.04 -1.26 -5.19 113.70 108.15 2kuq s SER 129 Ca 0.00 0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.37 2kuq s SER 129 Cb 0.00 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.37 2kuq s SER 129 CO 0.00 -0.33 0.34 -0.44 0.98 0.00 0.00 173.24 173.79 2kuq s SER 130 N -1.88 -0.19 -0.93 7.02 0.01 -1.26 -5.07 113.70 111.40 2kuq s SER 130 Ca 0.06 -0.07 -0.07 0.00 1.31 0.00 0.00 55.95 57.18 2kuq s SER 130 Cb -0.01 0.37 -0.13 0.00 0.21 0.00 0.00 66.02 66.46 2kuq s SER 130 CO -0.05 -0.59 2.88 0.61 0.41 0.00 0.00 173.24 176.50 2kuq n GLY 131 N 0.70 3.51 3.68 3.44 0.00 -1.26 -4.90 105.19 110.36 2kuq n GLY 131 Ca -0.19 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 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 2.40 4.39 0.00 1.61 0.01 -1.26 -5.05 113.70 115.80 2kuq s SER 132 Ca 0.60 -0.91 0.26 0.00 1.31 0.00 0.00 55.95 57.21 2kuq s SER 132 Cb 0.20 -0.61 1.48 0.00 0.21 0.00 0.00 66.02 67.30 2kuq s SER 132 CO -0.03 -0.28 1.92 -1.54 0.41 0.00 0.00 173.24 173.72 2kuq n SER 133 N -1.04 0.00 0.00 2.44 3.41 -1.26 -4.99 113.62 112.17 2kuq n SER 133 Ca -0.04 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 2kuq n SER 133 Cb 0.62 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2kuq n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kuq n GLY 134 N 0.76 0.62 3.61 5.00 0.00 -1.26 -5.07 105.19 108.86 2kuq n GLY 134 Ca 0.17 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 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 3.52 -4.63 0.99 4.77 -1.26 -4.94 117.00 115.45 2kuq n LEU 135 Ca 0.00 0.83 -0.43 0.00 -0.03 0.00 0.00 56.01 56.38 2kuq n LEU 135 Cb 0.00 -1.38 -0.02 0.00 -2.33 0.00 0.00 43.42 39.69 2kuq n LEU 135 CO 0.00 -1.83 1.09 0.12 -1.33 0.00 0.00 177.39 175.44 2kuq s PHE 136 N -1.49 2.79 -0.13 -1.77 5.36 -1.26 -5.00 117.98 116.48 2kuq s PHE 136 Ca 0.74 0.92 -0.29 0.00 -0.96 0.00 0.00 56.93 57.33 2kuq s PHE 136 Cb -0.43 -3.95 -0.02 0.00 -0.34 0.00 0.00 43.02 38.28 2kuq s PHE 136 CO 0.48 -1.45 1.25 1.03 -1.46 0.00 0.00 175.22 175.08 2kuq s ARG 137 N 4.13 4.27 0.07 10.12 3.00 -1.26 -4.72 118.95 134.56 2kuq s ARG 137 Ca 0.53 1.67 -0.29 0.00 0.00 0.00 0.00 55.73 57.64 2kuq s ARG 137 Cb -0.14 -3.70 -0.05 0.00 0.00 0.00 0.00 34.95 31.05 2kuq s ARG 137 CO 0.23 -0.63 0.91 -0.51 0.00 0.00 0.00 175.30 175.29 2kuq s LEU 138 N 3.12 4.46 0.41 2.53 1.43 0.01 -4.92 118.68 125.72 2kuq s LEU 138 Ca 0.55 1.67 0.22 0.00 -1.03 0.00 0.00 54.13 55.54 2kuq s LEU 138 Cb -0.23 -3.48 0.83 0.00 0.03 0.00 0.00 46.19 43.33 2kuq s LEU 138 CO 0.17 -0.08 1.79 0.03 0.23 0.00 0.00 176.35 178.50 2kuq h ARG 139 N 5.81 0.00 -4.18 1.70 3.08 -1.96 -3.31 114.38 115.53 2kuq h ARG 139 Ca -0.43 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.50 2kuq h ARG 139 Cb 1.21 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.11 2kuq h ARG 139 CO 0.72 0.29 -0.65 -3.38 -1.07 0.00 0.00 179.97 175.89 2kuq s HIS 140 N -3.66 0.47 -0.14 3.04 -3.43 -1.26 -5.04 115.29 105.26 2kuq s HIS 140 Ca 0.00 -0.99 -0.27 0.00 -0.80 0.00 0.00 55.06 53.00 2kuq s HIS 140 Cb 0.11 -0.34 -0.01 0.00 -1.43 0.00 0.00 32.58 30.90 2kuq s HIS 140 CO 0.66 -0.39 0.89 0.12 -2.00 0.00 0.00 174.74 174.02 2kuq s PHE 141 N -3.80 3.47 -0.73 0.38 2.19 -1.26 -4.97 117.98 113.25 2kuq s PHE 141 Ca 0.06 1.39 0.26 0.00 0.33 0.00 0.00 56.93 58.96 2kuq s PHE 141 Cb 0.07 -3.07 0.68 0.00 -1.31 0.00 0.00 43.02 39.39 2kuq s PHE 141 CO -0.10 -0.21 1.63 -0.35 1.83 0.00 0.00 175.22 178.02 2kuq n PRO 142 N 5.05 0.24 -4.07 10.12 -0.04 -1.26 -4.86 135.00 140.18 2kuq n PRO 142 Ca 0.06 0.15 -0.28 0.00 -0.04 0.00 0.00 63.50 63.38 2kuq n PRO 142 Cb 0.49 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 32.16 2kuq n PRO 142 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kuq n GLY 144 N 0.08 -0.80 3.48 0.00 0.00 -1.26 -4.72 105.19 101.97 2kuq n GLY 144 Ca -0.09 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 2kuq n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kuq s ASN 145 N -6.44 7.00 -0.06 1.61 2.20 -1.26 -5.00 114.94 113.00 2kuq s ASN 145 Ca -0.13 -2.84 -0.02 0.00 -0.94 0.00 0.00 52.86 48.93 2kuq s ASN 145 Cb 0.07 -2.43 -0.04 0.00 -2.00 0.00 0.00 41.25 36.85 2kuq s ASN 145 CO 0.79 -0.84 0.07 -0.69 -2.94 0.00 0.00 177.10 173.49 2kuq s VAL 146 N 2.12 4.76 0.23 3.54 1.01 -1.26 -2.84 120.40 127.96 2kuq s VAL 146 Ca 0.44 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.25 2kuq s VAL 146 Cb -0.02 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 2kuq s VAL 146 CO 0.01 0.50 -0.02 0.21 0.00 0.00 0.00 175.10 175.80 2kuq s ASN 147 N -1.27 1.97 -0.03 3.32 2.47 0.31 -4.97 114.94 116.74 2kuq s ASN 147 Ca 0.18 -1.20 0.03 0.00 0.42 0.00 0.00 52.86 52.29 2kuq s ASN 147 Cb -0.12 -0.02 -0.00 0.00 -1.45 0.00 0.00 41.25 39.66 2kuq s ASN 147 CO 0.07 -0.47 -0.12 -0.31 -3.72 0.00 0.00 177.10 172.55 2kuq s TYR 148 N -3.35 1.19 0.00 0.43 2.02 -1.26 -1.95 117.35 114.42 2kuq s TYR 148 Ca 0.28 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 2kuq s TYR 148 Cb 0.05 -0.81 0.00 0.00 -0.40 0.00 0.00 41.96 40.80 2kuq s TYR 148 CO 0.09 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.38 2kuq n GLY 149 N 3.12 0.42 3.68 0.71 0.00 -1.26 -5.03 105.19 106.84 2kuq n GLY 149 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 2.19 -3.24 1.61 4.02 -1.26 -4.99 117.16 115.49 2kuq n TYR 150 Ca 0.00 0.53 -0.39 0.00 -0.01 0.00 0.00 57.90 58.03 2kuq n TYR 150 Cb 0.00 -2.42 -0.06 0.00 -0.02 0.00 0.00 39.34 36.84 2kuq n TYR 150 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 2kuq s GLN 151 N -1.50 4.27 -0.07 -0.72 -1.52 -1.26 -5.04 119.66 113.83 2kuq s GLN 151 Ca 0.59 0.50 -0.04 0.00 -1.95 0.00 0.00 55.36 54.45 2kuq s GLN 151 Cb -0.60 -3.51 0.03 0.00 -0.22 0.00 0.00 33.01 28.72 2kuq s GLN 151 CO 0.59 -0.02 0.16 -0.65 -0.25 0.00 0.00 175.29 175.11 2kuq s GLN 152 N 1.21 0.13 0.00 2.91 -1.52 -1.26 -5.21 119.66 115.91 2kuq s GLN 152 Ca 0.27 0.33 0.00 0.00 -1.95 0.00 0.00 55.36 54.01 2kuq s GLN 152 Cb -0.16 -0.08 0.00 0.00 -0.22 0.00 0.00 33.01 32.55 2kuq s GLN 152 CO 0.11 -0.11 0.00 0.00 -0.25 0.00 0.00 175.29 175.03