#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 6.54 0.02 1.61 0.01 -1.26 -5.02 113.70 115.60 2kuq s SER 2 Ca 0.00 0.24 -0.12 0.00 1.31 0.00 0.00 55.95 57.37 2kuq s SER 2 Cb 0.00 -2.44 0.02 0.00 0.21 0.00 0.00 66.02 63.80 2kuq s SER 2 CO 0.00 -0.96 0.26 -0.44 0.41 0.00 0.00 173.24 172.51 2kuq s SER 3 N 2.12 -0.09 0.12 2.44 0.01 -1.26 -5.18 113.70 111.86 2kuq s SER 3 Ca 0.36 -0.13 -0.25 0.00 1.31 0.00 0.00 55.95 57.24 2kuq s SER 3 Cb -0.11 0.31 0.08 0.00 0.21 0.00 0.00 66.02 66.51 2kuq s SER 3 CO 0.23 -0.51 1.08 -0.83 0.41 0.00 0.00 173.24 173.62 2kuq s GLY 4 N -1.72 -0.11 0.16 3.44 0.00 -1.26 -5.20 107.32 102.63 2kuq s GLY 4 Ca -0.09 0.02 -0.25 0.00 0.00 0.00 0.00 44.72 44.40 2kuq s GLY 4 CO -0.00 1.59 0.91 -0.45 0.00 0.00 0.00 173.10 175.14 2kuq s SER 5 N -3.23 -0.22 -0.30 1.64 0.15 -1.26 -5.18 113.70 105.31 2kuq s SER 5 Ca 0.18 -0.39 -0.09 0.00 0.70 0.00 0.00 55.95 56.36 2kuq s SER 5 Cb -0.01 0.52 0.15 0.00 -1.71 0.00 0.00 66.02 64.97 2kuq s SER 5 CO 0.02 -0.95 0.70 -0.55 1.20 0.00 0.00 173.24 173.66 2kuq s SER 6 N -2.89 -1.10 -0.07 5.45 0.15 -1.26 -5.07 113.70 108.91 2kuq s SER 6 Ca 0.11 1.29 0.09 0.00 0.70 0.00 0.00 55.95 58.15 2kuq s SER 6 Cb -0.02 2.17 -0.24 0.00 -1.71 0.00 0.00 66.02 66.22 2kuq s SER 6 CO 0.02 -0.21 0.56 0.61 1.20 0.00 0.00 173.24 175.41 2kuq n GLY 7 N 5.38 -0.91 4.00 9.45 0.00 -1.26 -4.94 105.19 116.91 2kuq n GLY 7 Ca -0.09 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 2kuq n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kuq s LEU 8 N -6.22 3.42 -0.40 0.99 1.02 -1.26 -5.10 118.68 111.13 2kuq s LEU 8 Ca -0.09 -0.31 0.07 0.00 0.02 0.00 0.00 54.13 53.82 2kuq s LEU 8 Cb 0.08 -2.59 0.24 0.00 0.02 0.00 0.00 46.19 43.94 2kuq s LEU 8 CO 0.81 -1.03 0.52 -0.46 0.02 0.00 0.00 176.35 176.22 2kuq n ASN 9 N -2.13 -0.19 -0.24 2.29 0.23 -1.26 -4.94 115.26 109.01 2kuq n ASN 9 Ca 0.09 -2.69 -0.03 0.00 -0.53 0.00 0.00 54.58 51.42 2kuq n ASN 9 Cb 0.60 -0.42 -0.01 0.00 -2.08 0.00 0.00 39.78 37.86 2kuq n ASN 9 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kuq n ARG 10 N 1.66 -0.56 0.22 -3.83 1.74 -1.26 -4.97 116.66 109.65 2kuq n ARG 10 Ca 0.21 0.43 -0.09 0.00 -0.77 0.00 0.00 57.85 57.64 2kuq n ARG 10 Cb 0.53 -4.05 -0.04 0.00 -1.02 0.00 0.00 32.46 27.88 2kuq n ARG 10 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2kuq h ASP 11 N 0.00 -0.48 0.63 0.55 5.19 -2.00 -3.35 116.42 116.96 2kuq h ASP 11 Ca -0.06 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2kuq h ASP 11 Cb 0.38 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.01 2kuq h ASP 11 CO 0.09 -0.26 -1.03 -1.20 -3.12 0.00 0.00 179.24 173.73 2kuq n SER 12 N -3.99 0.64 -3.64 6.45 7.64 -1.26 -4.91 113.62 114.54 2kuq n SER 12 Ca -0.07 0.02 -0.03 0.00 1.01 0.00 0.00 58.87 59.79 2kuq n SER 12 Cb 0.22 0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 64.04 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 -3.26 -0.00 0.37 0.44 0.11 -1.26 -5.17 120.40 111.62 2kuq s VAL 13 Ca 0.02 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.82 2kuq s VAL 13 Cb 0.13 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.89 2kuq s VAL 13 CO 0.79 0.00 1.03 -2.16 -3.33 0.00 0.00 175.10 171.43 2kuq s PRO 14 N 1.42 4.32 0.00 1.54 0.04 -1.26 -4.25 135.00 136.82 2kuq s PRO 14 Ca -0.09 1.50 0.17 0.00 0.04 0.00 0.00 61.00 62.62 2kuq s PRO 14 Cb -0.04 -2.67 0.84 0.00 0.04 0.00 0.00 34.50 32.67 2kuq s PRO 14 CO -0.16 0.00 1.51 -0.40 0.04 0.00 0.00 177.00 177.99 2kuq n ASP 15 N 0.22 0.00 -0.36 6.66 5.75 -1.26 -3.05 116.55 124.51 2kuq n ASP 15 Ca 0.04 0.10 0.06 0.00 -0.01 0.00 0.00 54.79 54.97 2kuq n ASP 15 Cb 0.49 -0.31 0.10 0.00 -1.03 0.00 0.00 41.12 40.37 2kuq n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2kuq n ASN 16 N -1.31 1.47 -4.63 -1.12 6.94 -1.26 -5.03 115.26 110.32 2kuq n ASN 16 Ca 0.08 -2.78 -0.62 0.00 -0.02 0.00 0.00 54.58 51.23 2kuq n ASN 16 Cb 0.14 -0.36 -0.09 0.00 -2.36 0.00 0.00 39.78 37.11 2kuq n ASN 16 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 2kuq n HIS 17 N -0.83 1.27 0.84 -2.53 -0.00 -1.17 -4.90 115.22 107.89 2kuq n HIS 17 Ca 0.11 1.03 0.13 0.00 0.46 0.00 0.00 57.72 59.45 2kuq n HIS 17 Cb 0.70 -2.19 0.47 0.00 -0.12 0.00 0.00 29.99 28.84 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 2.89 0.11 0.00 1.57 -0.04 -1.26 -4.47 135.00 133.81 2kuq n PRO 18 Ca 0.25 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2kuq n PRO 18 Cb 0.03 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 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 -1.81 0.00 -4.29 0.52 -2.24 -1.26 -5.00 114.28 100.19 2kuq n THR 19 Ca 0.06 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 2kuq n THR 19 Cb 0.38 0.41 -0.16 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.00 1.20 -0.05 -0.78 2.20 -1.26 -3.10 119.74 117.95 2kuq s LYS 20 Ca 0.00 -0.23 -0.00 0.00 -0.36 0.00 0.00 55.97 55.38 2kuq s LYS 20 Cb 0.00 -1.11 0.03 0.00 -1.51 0.00 0.00 37.83 35.24 2kuq s LYS 20 CO 0.00 -0.06 -0.01 -0.06 -0.36 0.00 0.00 175.35 174.86 2kuq s PHE 21 N 0.90 0.61 0.20 4.03 0.40 -0.24 -4.77 117.98 119.11 2kuq s PHE 21 Ca -0.11 -0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 55.78 2kuq s PHE 21 Cb -0.15 -0.67 -0.09 0.00 0.51 0.00 0.00 43.02 42.63 2kuq s PHE 21 CO 0.01 -0.24 1.35 0.15 0.70 0.00 0.00 175.22 177.19 2kuq s LYS 22 N 1.42 4.35 0.04 0.44 3.01 -1.26 -0.54 119.74 127.21 2kuq s LYS 22 Ca -0.03 2.11 -0.00 0.00 -1.01 0.00 0.00 55.97 57.04 2kuq s LYS 22 Cb -0.13 -3.18 -0.03 0.00 -1.01 0.00 0.00 37.83 33.47 2kuq s LYS 22 CO -0.03 -0.32 -0.04 0.14 0.51 0.00 0.00 175.35 175.62 2kuq s VAL 23 N 0.23 0.26 -0.16 3.17 -7.23 -0.32 -4.80 120.40 111.54 2kuq s VAL 23 Ca 0.58 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2kuq s VAL 23 Cb -0.38 -1.05 0.04 0.00 0.56 0.00 0.00 36.38 35.56 2kuq s VAL 23 CO 0.38 -0.77 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.48 2kuq s THR 24 N -2.88 0.94 0.31 5.32 2.01 -0.98 -0.89 115.64 119.47 2kuq s THR 24 Ca -0.01 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 2kuq s THR 24 Cb 0.00 -1.19 -0.10 0.00 0.01 0.00 0.00 72.50 71.22 2kuq s THR 24 CO -0.06 0.06 1.41 0.21 -0.69 0.00 0.00 174.62 175.55 2kuq s ASN 25 N 1.70 6.62 0.13 3.53 3.04 -0.26 -0.41 114.94 129.30 2kuq s ASN 25 Ca 0.00 2.77 0.06 0.00 0.04 0.00 0.00 52.86 55.73 2kuq s ASN 25 Cb -0.15 -2.64 -0.04 0.00 -1.54 0.00 0.00 41.25 36.87 2kuq s ASN 25 CO -0.07 -0.68 -0.13 0.68 -3.04 0.00 0.00 177.10 173.85 2kuq s VAL 26 N -0.65 1.33 0.13 -5.21 -7.23 -0.42 -1.35 120.40 107.01 2kuq s VAL 26 Ca 0.54 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.88 2kuq s VAL 26 Cb -0.42 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 34.92 2kuq s VAL 26 CO 0.51 -0.50 0.18 -0.90 -0.31 0.00 0.00 175.10 174.09 2kuq n ASP 27 N 0.32 0.16 0.00 4.85 5.75 -1.15 -4.58 116.55 121.89 2kuq n ASP 27 Ca -0.14 -1.15 0.05 0.00 -0.01 0.00 0.00 54.79 53.54 2kuq n ASP 27 Cb 0.58 -0.13 0.26 0.00 -1.03 0.00 0.00 41.12 40.80 2kuq n ASP 27 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kuq n ASP 28 N -3.04 0.00 -0.20 -1.12 -0.08 -1.26 -1.76 116.55 109.09 2kuq n ASP 28 Ca 0.03 0.17 0.02 0.00 -1.51 0.00 0.00 54.79 53.50 2kuq n ASP 28 Cb 0.10 -0.31 0.03 0.00 2.34 0.00 0.00 41.12 43.28 2kuq n ASP 28 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2kuq n GLU 29 N -1.31 0.72 -1.01 -0.67 1.02 -1.26 -5.01 120.64 113.12 2kuq n GLU 29 Ca 0.05 -1.08 -0.01 0.00 -0.02 0.00 0.00 57.16 56.10 2kuq n GLU 29 Cb 0.09 -1.09 -0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.13 0.47 3.71 0.62 0.00 -0.72 -5.03 105.19 104.36 2kuq n GLY 30 Ca 0.03 -0.54 -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 -2.00 4.58 -0.14 1.61 1.01 -1.26 -4.77 120.40 119.43 2kuq s VAL 31 Ca 0.00 1.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.54 2kuq s VAL 31 Cb 0.00 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2kuq s VAL 31 CO 0.00 0.14 1.91 -1.61 0.00 0.00 0.00 175.10 175.54 2kuq s GLU 32 N 1.06 3.71 -0.22 2.72 2.02 -1.26 -2.96 118.70 123.78 2kuq s GLU 32 Ca 0.54 2.08 -0.17 0.00 0.02 0.00 0.00 54.97 57.45 2kuq s GLU 32 Cb -0.24 -4.18 -0.13 0.00 0.10 0.00 0.00 34.13 29.69 2kuq s GLU 32 CO 0.28 -1.43 -0.10 1.28 0.02 0.00 0.00 175.26 175.32 2kuq n LEU 33 N 9.12 1.89 -3.58 1.80 4.77 -0.46 -5.03 117.00 125.52 2kuq n LEU 33 Ca 0.22 0.42 -0.08 0.00 -0.03 0.00 0.00 56.01 56.55 2kuq n LEU 33 Cb 0.44 -0.88 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 2kuq n LEU 33 CO 0.66 0.18 0.86 -0.83 -1.33 0.00 0.00 177.39 176.92 2kuq s GLY 34 N -4.96 -0.26 -0.00 -0.72 0.00 -1.24 -5.03 107.32 95.11 2kuq s GLY 34 Ca -0.30 1.87 0.02 0.00 0.00 0.00 0.00 44.72 46.31 2kuq s GLY 34 CO 0.48 0.82 -0.01 -0.56 0.00 0.00 0.00 173.10 173.82 2kuq s SER 35 N -1.56 5.01 0.29 1.64 0.01 -1.26 -1.10 113.70 116.73 2kuq s SER 35 Ca 0.03 -0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.30 2kuq s SER 35 Cb -0.01 -1.28 -0.02 0.00 0.21 0.00 0.00 66.02 64.93 2kuq s SER 35 CO -0.03 0.28 0.29 0.61 0.41 0.00 0.00 173.24 174.80 2kuq n GLY 36 N 1.44 2.86 3.13 3.44 0.00 -0.07 -4.70 105.19 111.28 2kuq n GLY 36 Ca -0.15 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.04 2.36 0.08 1.61 1.01 -0.41 -1.17 120.40 120.84 2kuq s VAL 37 Ca 0.31 -1.24 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 2kuq s VAL 37 Cb 0.01 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 2kuq s VAL 37 CO 0.22 0.21 0.81 -0.32 0.00 0.00 0.00 175.10 176.02 2kuq s MET 38 N 1.23 4.55 -0.05 2.72 1.75 0.30 -1.32 119.30 128.49 2kuq s MET 38 Ca -0.02 1.16 -0.02 0.00 -1.25 0.00 0.00 55.69 55.57 2kuq s MET 38 Cb -0.17 -3.35 0.03 0.00 2.84 0.00 0.00 34.83 34.19 2kuq s MET 38 CO -0.07 0.32 0.09 -2.00 -0.65 0.00 0.00 175.02 172.71 2kuq s GLU 39 N -0.24 0.03 -0.15 4.11 2.12 0.10 -1.08 118.70 123.59 2kuq s GLU 39 Ca 0.40 0.30 0.00 0.00 0.36 0.00 0.00 54.97 56.03 2kuq s GLU 39 Cb -0.22 -0.22 -0.01 0.00 0.26 0.00 0.00 34.13 33.95 2kuq s GLU 39 CO 0.25 -0.18 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.14 2kuq s LEU 40 N 1.19 2.54 0.40 2.70 1.02 -1.18 -0.27 118.68 125.08 2kuq s LEU 40 Ca -0.08 -0.43 0.07 0.00 0.02 0.00 0.00 54.13 53.71 2kuq s LEU 40 Cb -0.12 -1.58 -0.06 0.00 0.02 0.00 0.00 46.19 44.45 2kuq s LEU 40 CO -0.05 0.10 0.12 0.42 0.02 0.00 0.00 176.35 176.96 2kuq s THR 41 N 0.71 2.29 -2.00 5.49 -4.23 -0.71 -4.94 115.64 112.25 2kuq s THR 41 Ca -0.07 -1.81 0.11 0.00 -1.18 0.00 0.00 61.69 58.74 2kuq s THR 41 Cb -0.15 -2.97 0.30 0.00 1.34 0.00 0.00 72.50 71.01 2kuq s THR 41 CO 0.02 -0.03 1.05 0.00 -0.54 0.00 0.00 174.62 175.11 2kuq n GLN 42 N -1.13 0.42 0.00 3.99 6.02 -1.26 -3.41 117.38 122.00 2kuq n GLN 42 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2kuq n GLN 42 Cb 0.65 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.51 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 -0.89 4.35 -3.64 1.08 7.64 -1.26 -5.03 113.62 115.86 2kuq n SER 43 Ca 0.08 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.94 2kuq n SER 43 Cb 0.04 0.21 -0.01 0.00 -1.01 0.00 0.00 64.21 63.44 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 -1.98 0.67 0.07 1.43 -1.05 -1.22 -4.40 118.70 112.22 2kuq s GLU 44 Ca 0.00 -0.34 -0.28 0.00 -0.15 0.00 0.00 54.97 54.19 2kuq s GLU 44 Cb 0.00 0.24 -0.05 0.00 -0.44 0.00 0.00 34.13 33.88 2kuq s GLU 44 CO 0.00 -0.30 0.90 -1.17 0.95 0.00 0.00 175.26 175.64 2kuq s LEU 45 N -2.80 4.47 0.00 1.83 0.20 -0.45 -1.73 118.68 120.20 2kuq s LEU 45 Ca 0.12 1.66 0.04 0.00 0.69 0.00 0.00 54.13 56.64 2kuq s LEU 45 Cb 0.02 -3.47 -0.01 0.00 -0.43 0.00 0.00 46.19 42.29 2kuq s LEU 45 CO -0.03 -0.06 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.14 2kuq s VAL 46 N 0.11 1.11 -0.11 1.68 1.01 0.62 -1.24 120.40 123.59 2kuq s VAL 46 Ca 0.45 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2kuq s VAL 46 Cb -0.22 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.24 2kuq s VAL 46 CO 0.27 0.24 -0.02 -0.22 0.00 0.00 0.00 175.10 175.36 2kuq s LEU 47 N -0.53 0.95 -0.14 3.92 0.20 0.05 -0.72 118.68 122.41 2kuq s LEU 47 Ca 0.05 -0.30 -0.14 0.00 0.69 0.00 0.00 54.13 54.43 2kuq s LEU 47 Cb -0.06 -0.64 -0.05 0.00 -0.43 0.00 0.00 46.19 45.02 2kuq s LEU 47 CO -0.00 -0.18 0.31 -1.00 -0.29 0.00 0.00 176.35 175.18 2kuq s HIS 48 N 1.84 3.49 0.05 5.38 3.76 -0.43 -1.03 115.29 128.34 2kuq s HIS 48 Ca 0.04 0.64 0.01 0.00 -0.15 0.00 0.00 55.06 55.60 2kuq s HIS 48 Cb -0.13 -2.33 -0.03 0.00 1.11 0.00 0.00 32.58 31.20 2kuq s HIS 48 CO -0.07 0.29 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.55 2kuq s LEU 49 N 0.27 2.33 -0.08 0.89 1.43 -1.26 -1.29 118.68 120.97 2kuq s LEU 49 Ca 0.18 -0.67 0.18 0.00 -1.03 0.00 0.00 54.13 52.79 2kuq s LEU 49 Cb -0.13 -0.02 -0.24 0.00 0.03 0.00 0.00 46.19 45.82 2kuq s LEU 49 CO 0.05 -0.33 0.41 1.57 0.23 0.00 0.00 176.35 178.28 2kuq n HIS 50 N 1.06 0.31 -0.95 0.29 -0.00 -1.26 -4.48 115.22 110.20 2kuq n HIS 50 Ca -0.20 0.11 0.04 0.00 -0.00 0.00 0.00 57.72 57.66 2kuq n HIS 50 Cb 0.57 -0.91 0.05 0.00 -0.00 0.00 0.00 29.99 29.70 2kuq n HIS 50 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2kuq n ARG 51 N -2.68 1.30 -3.99 1.57 5.12 -1.26 -5.03 116.66 111.70 2kuq n ARG 51 Ca -0.19 -1.65 -0.08 0.00 -1.93 0.00 0.00 57.85 54.01 2kuq n ARG 51 Cb 0.92 -1.01 -0.09 0.00 -1.16 0.00 0.00 32.46 31.12 2kuq n ARG 51 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2kuq s ARG 52 N -1.34 0.61 0.87 5.56 0.52 -1.26 -5.17 118.95 118.73 2kuq s ARG 52 Ca 0.12 -0.97 -0.10 0.00 -0.52 0.00 0.00 55.73 54.25 2kuq s ARG 52 Cb 0.10 0.23 0.12 0.00 0.52 0.00 0.00 34.95 35.91 2kuq s ARG 52 CO 0.01 -0.14 1.11 -1.83 0.02 0.00 0.00 175.30 174.48 2kuq s GLU 53 N -3.25 1.44 0.15 3.54 -1.05 -1.26 -4.45 118.70 113.83 2kuq s GLU 53 Ca 0.01 1.30 -0.31 0.00 -0.15 0.00 0.00 54.97 55.81 2kuq s GLU 53 Cb 0.03 -1.79 -0.09 0.00 -0.44 0.00 0.00 34.13 31.83 2kuq s GLU 53 CO -0.08 -2.25 1.47 0.00 0.95 0.00 0.00 175.26 175.35 2kuq s ALA 54 N -2.77 3.67 -0.17 -0.84 0.00 -1.26 -4.60 121.76 115.79 2kuq s ALA 54 Ca 0.64 1.24 -0.02 0.00 0.00 0.00 0.00 51.96 53.82 2kuq s ALA 54 Cb -0.20 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.33 2kuq s ALA 54 CO 0.57 -0.69 -0.08 0.08 0.00 0.00 0.00 175.76 175.64 2kuq s VAL 55 N 1.03 3.33 -0.06 0.00 1.01 -0.20 -4.96 120.40 120.55 2kuq s VAL 55 Ca 0.66 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.15 2kuq s VAL 55 Cb -0.40 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 2kuq s VAL 55 CO 0.32 0.48 -0.23 -0.13 0.00 0.00 0.00 175.10 175.54 2kuq s ARG 56 N 0.77 2.64 -0.18 2.72 0.52 -1.26 -0.77 118.95 123.38 2kuq s ARG 56 Ca -0.03 -0.86 -0.02 0.00 -0.52 0.00 0.00 55.73 54.29 2kuq s ARG 56 Cb -0.15 -2.24 0.06 0.00 0.52 0.00 0.00 34.95 33.14 2kuq s ARG 56 CO 0.02 0.39 0.03 -1.58 0.02 0.00 0.00 175.30 174.17 2kuq s TRP 57 N -0.17 1.06 0.45 -0.53 0.51 -0.37 -4.37 118.94 115.50 2kuq s TRP 57 Ca -0.03 -0.82 -0.24 0.00 -2.12 0.00 0.00 56.10 52.89 2kuq s TRP 57 Cb -0.14 -1.03 -0.08 0.00 -0.81 0.00 0.00 33.47 31.42 2kuq s TRP 57 CO 0.04 -0.59 1.26 -1.25 -0.51 0.00 0.00 176.95 175.90 2kuq s PRO 58 N 1.85 3.76 0.60 4.98 0.04 -1.26 -1.34 135.00 143.62 2kuq s PRO 58 Ca -0.00 2.02 0.39 0.00 0.04 0.00 0.00 61.00 63.45 2kuq s PRO 58 Cb -0.17 -2.55 2.03 0.00 0.04 0.00 0.00 34.50 33.85 2kuq s PRO 58 CO -0.08 -0.62 2.20 1.88 0.04 0.00 0.00 177.00 180.42 2kuq h TYR 59 N 2.26 0.00 0.00 0.56 0.05 -1.94 -1.21 116.97 116.70 2kuq h TYR 59 Ca -0.50 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.25 2kuq h TYR 59 Cb 1.25 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.99 2kuq h TYR 59 CO 0.52 0.00 -0.15 1.37 -1.05 0.00 0.00 178.16 178.85 2kuq h LEU 60 N 0.00 0.00 -0.84 3.88 8.10 -1.92 -3.01 115.31 121.52 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 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.35 2kuq h LEU 60 CO 0.00 0.15 -0.11 0.00 -4.11 0.00 0.00 178.44 174.37 2kuq s LEU 62 N -2.20 4.95 0.32 0.00 1.43 -1.14 -0.91 118.68 121.13 2kuq s LEU 62 Ca 0.32 -1.93 0.10 0.00 -1.03 0.00 0.00 54.13 51.59 2kuq s LEU 62 Cb 0.20 -2.41 0.55 0.00 0.03 0.00 0.00 46.19 44.57 2kuq s LEU 62 CO 0.41 -1.11 1.74 0.03 0.23 0.00 0.00 176.35 177.65 2kuq h ARG 63 N 8.93 0.09 -2.64 1.70 3.08 -1.86 -3.30 114.38 120.39 2kuq h ARG 63 Ca 0.12 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 2kuq h ARG 63 Cb 1.03 -0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.90 2kuq h ARG 63 CO 1.12 0.51 -0.01 -0.98 -1.07 0.00 0.00 179.97 179.55 2kuq s ARG 64 N -4.06 0.94 -0.04 0.04 1.70 -1.26 -2.65 118.95 113.62 2kuq s ARG 64 Ca -0.03 -0.10 -0.19 0.00 -0.47 0.00 0.00 55.73 54.95 2kuq s ARG 64 Cb 0.14 0.43 0.04 0.00 -0.57 0.00 0.00 34.95 34.99 2kuq s ARG 64 CO 0.75 -0.31 0.41 1.52 -1.08 0.00 0.00 175.30 176.59 2kuq s TYR 65 N -1.82 -0.33 0.37 5.89 1.13 -0.69 -1.02 117.35 120.87 2kuq s TYR 65 Ca -0.09 0.59 -0.13 0.00 -1.41 0.00 0.00 57.07 56.03 2kuq s TYR 65 Cb -0.02 0.18 0.04 0.00 -1.10 0.00 0.00 41.96 41.06 2kuq s TYR 65 CO 0.03 -0.42 0.71 0.20 -2.51 0.00 0.00 175.55 173.56 2kuq s GLY 66 N -1.08 0.59 0.09 5.49 0.00 0.21 -1.02 107.32 111.60 2kuq s GLY 66 Ca -0.11 -0.90 -0.25 0.00 0.00 0.00 0.00 44.72 43.46 2kuq s GLY 66 CO 0.05 -0.46 0.68 -2.52 0.00 0.00 0.00 173.10 170.85 2kuq s TYR 67 N -2.63 -0.51 0.25 1.90 1.13 -1.22 -2.05 117.35 114.22 2kuq s TYR 67 Ca 0.19 0.43 0.03 0.00 -1.41 0.00 0.00 57.07 56.31 2kuq s TYR 67 Cb -0.04 0.53 -0.01 0.00 -1.10 0.00 0.00 41.96 41.34 2kuq s TYR 67 CO 0.13 -0.74 0.12 -3.47 -2.51 0.00 0.00 175.55 169.08 2kuq n ASP 68 N -0.14 0.69 0.24 -0.18 -0.08 0.46 -3.91 116.55 113.63 2kuq n ASP 68 Ca -0.15 -2.41 0.16 0.00 -1.51 0.00 0.00 54.79 50.88 2kuq n ASP 68 Cb 0.63 0.78 0.78 0.00 2.34 0.00 0.00 41.12 45.66 2kuq n ASP 68 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2kuq h SER 69 N 1.13 0.00 -0.01 1.67 4.64 -2.01 -3.16 113.55 115.81 2kuq h SER 69 Ca -0.19 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.98 2kuq h SER 69 Cb 0.79 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.66 2kuq h SER 69 CO 0.30 0.00 -0.55 -3.20 -0.87 0.00 0.00 176.83 172.51 2kuq n ASN 70 N -2.70 -0.32 -3.71 4.97 5.15 -1.26 -4.86 115.26 112.53 2kuq n ASN 70 Ca -0.01 -2.01 -0.12 0.00 -0.60 0.00 0.00 54.58 51.85 2kuq n ASN 70 Cb 0.15 0.11 -0.11 0.00 -0.53 0.00 0.00 39.78 39.40 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 -0.26 0.13 -0.11 1.20 2.96 -1.19 -2.65 118.68 118.77 2kuq s LEU 71 Ca 0.12 0.85 0.02 0.00 -0.22 0.00 0.00 54.13 54.90 2kuq s LEU 71 Cb 0.15 1.34 -0.01 0.00 0.50 0.00 0.00 46.19 48.17 2kuq s LEU 71 CO -0.06 -0.17 -0.18 0.12 -1.32 0.00 0.00 176.35 174.74 2kuq s PHE 72 N 0.94 2.69 -0.02 5.38 5.36 -0.08 -0.40 117.98 131.85 2kuq s PHE 72 Ca -0.06 -0.72 -0.11 0.00 -0.96 0.00 0.00 56.93 55.08 2kuq s PHE 72 Cb -0.06 -1.76 0.01 0.00 -0.34 0.00 0.00 43.02 40.87 2kuq s PHE 72 CO -0.08 -0.23 0.23 0.45 -1.46 0.00 0.00 175.22 174.13 2kuq s SER 73 N 0.18 -0.12 0.06 6.13 0.15 -0.87 -1.04 113.70 118.20 2kuq s SER 73 Ca -0.10 0.05 -0.15 0.00 0.70 0.00 0.00 55.95 56.45 2kuq s SER 73 Cb -0.16 0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.49 2kuq s SER 73 CO 0.06 -0.35 0.34 0.72 1.20 0.00 0.00 173.24 175.20 2kuq s PHE 74 N -1.09 -0.14 -0.19 3.44 -0.12 -0.87 -0.62 117.98 118.39 2kuq s PHE 74 Ca -0.12 -0.03 -0.11 0.00 -0.05 0.00 0.00 56.93 56.63 2kuq s PHE 74 Cb -0.06 0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.43 2kuq s PHE 74 CO 0.03 -0.56 0.16 -2.00 -0.05 0.00 0.00 175.22 172.79 2kuq s GLU 75 N -2.87 4.17 -0.00 1.99 2.12 -0.19 -1.65 118.70 122.28 2kuq s GLU 75 Ca -0.03 -0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.17 2kuq s GLU 75 Cb 0.00 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 2kuq s GLU 75 CO -0.05 0.31 -0.09 0.45 -0.54 0.00 0.00 175.26 175.34 2kuq s SER 76 N 0.33 4.49 0.89 -1.70 0.15 -0.17 -3.67 113.70 114.01 2kuq s SER 76 Ca 0.10 -0.17 -0.12 0.00 0.70 0.00 0.00 55.95 56.45 2kuq s SER 76 Cb -0.11 -1.01 0.13 0.00 -1.71 0.00 0.00 66.02 63.31 2kuq s SER 76 CO -0.01 0.29 1.15 -0.83 1.20 0.00 0.00 173.24 175.04 2kuq s GLY 77 N -1.32 1.58 0.02 9.45 0.00 -0.09 -2.71 107.32 114.25 2kuq s GLY 77 Ca 0.16 -0.58 0.13 0.00 0.00 0.00 0.00 44.72 44.42 2kuq s GLY 77 CO 0.06 -0.03 1.40 0.54 0.00 0.00 0.00 173.10 175.07 2kuq n ARG 78 N -3.67 0.01 -3.27 2.90 1.74 -1.26 -3.11 116.66 110.00 2kuq n ARG 78 Ca 0.07 0.31 -0.25 0.00 -0.77 0.00 0.00 57.85 57.21 2kuq n ARG 78 Cb 0.60 -1.53 -0.07 0.00 -1.02 0.00 0.00 32.46 30.44 2kuq n ARG 78 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2kuq n ARG 79 N -1.56 2.02 -3.58 5.56 1.85 -1.26 -4.50 116.66 115.19 2kuq n ARG 79 Ca 0.03 -4.21 -0.12 0.00 -1.00 0.00 0.00 57.85 52.55 2kuq n ARG 79 Cb 0.14 -1.93 -0.02 0.00 -1.05 0.00 0.00 32.46 29.61 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 0.00 0.79 -0.01 0.00 4.15 -1.93 -2.58 115.11 115.53 2kuq h GLN 81 Ca -0.24 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2kuq h GLN 81 Cb 1.02 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.53 2kuq h GLN 81 CO 0.32 0.53 -0.69 0.25 -1.93 0.00 0.00 178.83 177.31 2kuq n THR 82 N -4.48 0.00 -4.81 2.39 -2.24 -1.26 -5.05 114.28 98.83 2kuq n THR 82 Ca 0.11 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2kuq n THR 82 Cb 0.21 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 1.45 0.50 3.71 3.38 0.00 -0.98 -4.76 105.19 108.50 2kuq n GLY 83 Ca 0.07 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 4.22 -0.16 1.61 0.74 -1.18 -4.45 119.66 120.43 2kuq s GLN 84 Ca 0.00 2.35 -0.35 0.00 0.05 0.00 0.00 55.36 57.41 2kuq s GLN 84 Cb 0.00 -3.21 0.14 0.00 1.10 0.00 0.00 33.01 31.04 2kuq s GLN 84 CO 0.00 -0.62 1.30 0.20 -0.55 0.00 0.00 175.29 175.62 2kuq s GLY 85 N 1.30 -0.32 -0.17 2.59 0.00 -1.10 -5.01 107.32 104.62 2kuq s GLY 85 Ca 0.70 1.40 0.01 0.00 0.00 0.00 0.00 44.72 46.83 2kuq s GLY 85 CO 0.31 0.42 -0.19 -0.42 0.00 0.00 0.00 173.10 173.23 2kuq s ILE 86 N -2.28 1.96 0.05 0.90 1.01 -1.26 -1.00 121.20 120.57 2kuq s ILE 86 Ca 0.12 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.97 2kuq s ILE 86 Cb 0.01 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 2kuq s ILE 86 CO -0.04 0.52 -0.22 -0.36 0.00 0.00 0.00 174.94 174.84 2kuq s PHE 87 N 1.29 2.44 -0.03 3.97 0.08 -0.66 -0.97 117.98 124.10 2kuq s PHE 87 Ca 0.04 -0.33 -0.04 0.00 0.12 0.00 0.00 56.93 56.72 2kuq s PHE 87 Cb -0.13 -1.42 0.01 0.00 -0.57 0.00 0.00 43.02 40.91 2kuq s PHE 87 CO -0.11 0.20 0.10 0.00 -0.10 0.00 0.00 175.22 175.31 2kuq s ALA 88 N -0.88 -0.25 -0.01 5.36 0.00 -1.26 -2.04 121.76 122.68 2kuq s ALA 88 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2kuq s ALA 88 Cb -0.10 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.90 2kuq s ALA 88 CO 0.04 -0.07 0.00 -0.06 0.00 0.00 0.00 175.76 175.67 2kuq s PHE 89 N -0.16 0.13 0.10 0.00 0.40 -0.21 -1.30 117.98 116.94 2kuq s PHE 89 Ca -0.02 0.02 -0.31 0.00 -0.60 0.00 0.00 56.93 56.02 2kuq s PHE 89 Cb -0.02 -0.17 -0.07 0.00 0.51 0.00 0.00 43.02 43.27 2kuq s PHE 89 CO 0.00 -0.05 1.29 0.21 0.70 0.00 0.00 175.22 177.37 2kuq s LYS 90 N 0.44 4.38 -0.29 0.44 2.47 0.46 -0.90 119.74 126.74 2kuq s LYS 90 Ca -0.04 1.92 -0.14 0.00 -1.56 0.00 0.00 55.97 56.16 2kuq s LYS 90 Cb -0.06 -3.29 0.14 0.00 -1.46 0.00 0.00 37.83 33.16 2kuq s LYS 90 CO -0.01 -0.33 0.83 0.00 0.16 0.00 0.00 175.35 176.00 2kuq n SER 92 N 4.75 0.00 -0.71 0.00 7.64 -1.26 -2.71 113.62 121.33 2kuq n SER 92 Ca -0.14 -0.26 0.05 0.00 1.01 0.00 0.00 58.87 59.53 2kuq n SER 92 Cb 0.54 -0.16 0.09 0.00 -1.01 0.00 0.00 64.21 63.66 2kuq n SER 92 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2kuq n ARG 93 N -1.16 0.68 -0.26 1.43 1.85 -1.26 -4.88 116.66 113.06 2kuq n ARG 93 Ca 0.12 -2.21 0.22 0.00 -1.00 0.00 0.00 57.85 54.98 2kuq n ARG 93 Cb 0.12 -0.87 0.55 0.00 -1.05 0.00 0.00 32.46 31.21 2kuq n ARG 93 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kuq h ALA 94 N 0.53 2.34 -0.76 2.89 0.00 -1.82 -0.94 119.26 121.50 2kuq h ALA 94 Ca -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kuq h ALA 94 Cb 1.35 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 2kuq h ALA 94 CO 0.03 -0.65 0.43 1.49 0.00 0.00 0.00 179.25 180.55 2kuq h GLU 95 N 0.33 1.04 0.00 0.00 4.81 -1.88 -1.09 114.58 117.79 2kuq h GLU 95 Ca 0.50 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 59.48 2kuq h GLU 95 Cb 1.38 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2kuq h GLU 95 CO -0.18 0.75 -0.70 0.93 -0.73 0.00 0.00 179.01 179.08 2kuq h GLU 96 N 1.05 0.00 -0.22 1.92 4.39 -1.58 -0.49 114.58 119.65 2kuq h GLU 96 Ca 0.27 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.93 2kuq h GLU 96 Cb -0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2kuq h GLU 96 CO -0.05 0.70 -0.00 0.82 -1.16 0.00 0.00 179.01 179.32 2kuq h ILE 97 N 0.00 1.26 -0.30 3.13 2.04 -1.25 -1.24 117.51 121.15 2kuq h ILE 97 Ca -0.01 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2kuq h ILE 97 Cb 1.38 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 2kuq h ILE 97 CO 0.09 0.28 0.19 0.15 0.00 0.00 0.00 178.15 178.86 2kuq h PHE 98 N 0.15 0.38 -0.10 1.37 3.57 -1.10 0.16 116.94 121.37 2kuq h PHE 98 Ca 0.06 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2kuq h PHE 98 Cb 0.41 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2kuq h PHE 98 CO 0.04 0.26 0.06 -0.91 -2.23 0.00 0.00 178.31 175.52 2kuq h ASN 99 N 0.40 0.11 -0.80 0.41 2.35 -1.11 -2.36 115.58 114.58 2kuq h ASN 99 Ca 0.11 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 2kuq h ASN 99 Cb -0.03 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2kuq h ASN 99 CO -0.02 0.08 0.32 0.25 -1.65 0.00 0.00 177.43 176.40 2kuq h LEU 100 N 0.13 1.11 -0.03 1.61 5.85 -1.08 -1.45 115.31 121.46 2kuq h LEU 100 Ca 0.04 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2kuq h LEU 100 Cb -0.01 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 2kuq h LEU 100 CO -0.01 0.98 0.02 0.25 -0.34 0.00 0.00 178.44 179.33 2kuq h LEU 101 N 1.17 0.03 -0.73 2.25 5.85 -0.83 -1.37 115.31 121.68 2kuq h LEU 101 Ca 0.27 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 2kuq h LEU 101 Cb 0.22 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2kuq h LEU 101 CO -0.02 0.03 0.06 0.06 -0.34 0.00 0.00 178.44 178.23 2kuq h GLN 102 N 0.03 1.04 -0.82 1.25 3.07 -1.33 -2.80 115.11 115.54 2kuq h GLN 102 Ca 0.01 -0.29 -0.03 0.00 0.09 0.00 0.00 58.65 58.44 2kuq h GLN 102 Cb 0.00 -0.12 -0.04 0.00 0.08 0.00 0.00 27.48 27.41 2kuq h GLN 102 CO -0.00 0.98 0.41 -0.44 0.09 0.00 0.00 178.83 179.86 2kuq h ASP 103 N 0.96 1.05 1.44 0.06 3.32 -1.00 0.70 116.42 122.95 2kuq h ASP 103 Ca 0.19 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2kuq h ASP 103 Cb 0.47 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2kuq h ASP 103 CO 0.02 0.87 -0.06 0.18 -1.72 0.00 0.00 179.24 178.53 2kuq n LEU 104 N -4.32 0.84 -0.02 1.55 4.77 -0.54 -1.98 117.00 117.30 2kuq n LEU 104 Ca 0.08 0.55 0.02 0.00 -0.03 0.00 0.00 56.01 56.63 2kuq n LEU 104 Cb 0.13 -0.30 -0.14 0.00 -2.33 0.00 0.00 43.42 40.78 2kuq n LEU 104 CO 0.39 -0.18 -0.75 1.15 -1.33 0.00 0.00 177.39 176.67 2kuq n MET 105 N -2.28 0.66 0.02 3.23 0.00 -0.95 -4.47 117.12 113.32 2kuq n MET 105 Ca 0.05 -0.04 0.11 0.00 0.00 0.00 0.00 57.70 57.82 2kuq n MET 105 Cb 0.44 -1.59 0.05 0.00 0.00 0.00 0.00 33.22 32.11 2kuq n MET 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kuq n GLN 106 N -2.55 0.23 -3.81 3.17 10.64 0.20 -4.96 117.38 120.29 2kuq n GLN 106 Ca -0.14 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 54.92 2kuq n GLN 106 Cb 0.80 -1.58 -0.08 0.00 -0.86 0.00 0.00 30.24 28.52 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 0.89 0.14 -3.75 0.00 6.94 -1.26 -4.30 115.26 113.92 2kuq n ASN 108 Ca -0.20 0.54 -0.09 0.00 -0.02 0.00 0.00 54.58 54.81 2kuq n ASN 108 Cb 0.58 -0.57 -0.03 0.00 -2.36 0.00 0.00 39.78 37.40 2kuq n ASN 108 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2kuq s SER 109 N -3.26 -0.28 -0.34 0.53 0.01 -1.26 -4.96 113.70 104.14 2kuq s SER 109 Ca 0.06 -0.49 -0.28 0.00 1.31 0.00 0.00 55.95 56.54 2kuq s SER 109 Cb 0.09 0.62 -0.01 0.00 0.21 0.00 0.00 66.02 66.92 2kuq s SER 109 CO 0.27 -1.12 1.72 -0.63 0.41 0.00 0.00 173.24 173.89 2kuq s ILE 110 N -3.88 3.56 -0.00 1.44 1.01 -1.26 -4.72 121.20 117.34 2kuq s ILE 110 Ca 0.10 0.57 -0.02 0.00 0.00 0.00 0.00 60.65 61.29 2kuq s ILE 110 Cb -0.02 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 2kuq s ILE 110 CO -0.01 -0.47 0.04 0.20 0.00 0.00 0.00 174.94 174.71 2kuq s ASN 111 N 5.63 0.08 0.11 3.58 0.01 -1.26 -5.13 114.94 117.95 2kuq s ASN 111 Ca 0.76 -0.20 -0.31 0.00 -0.71 0.00 0.00 52.86 52.41 2kuq s ASN 111 Cb -0.21 0.13 -0.10 0.00 0.41 0.00 0.00 41.25 41.49 2kuq s ASN 111 CO 0.34 -0.21 1.75 0.54 -1.51 0.00 0.00 177.10 178.00 2kuq s VAL 112 N -0.88 2.71 0.10 1.60 0.11 -1.26 -4.98 120.40 117.79 2kuq s VAL 112 Ca -0.10 0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 59.15 2kuq s VAL 112 Cb -0.06 -3.15 -0.03 0.00 -1.53 0.00 0.00 36.38 31.62 2kuq s VAL 112 CO -0.00 0.00 0.08 -0.04 -3.33 0.00 0.00 175.10 171.81 2kuq s MET 113 N 2.57 0.82 -0.04 1.54 -1.94 -1.26 -5.17 119.30 115.81 2kuq s MET 113 Ca 0.78 -1.23 0.06 0.00 -1.71 0.00 0.00 55.69 53.58 2kuq s MET 113 Cb -0.44 0.27 -0.01 0.00 2.01 0.00 0.00 34.83 36.66 2kuq s MET 113 CO 0.34 -0.22 -0.21 -1.21 -0.01 0.00 0.00 175.02 173.71 2kuq s GLU 114 N -3.95 2.03 0.00 2.03 2.02 -1.26 -5.15 118.70 114.42 2kuq s GLU 114 Ca 0.13 -0.76 -0.01 0.00 0.02 0.00 0.00 54.97 54.35 2kuq s GLU 114 Cb 0.07 -1.80 -0.00 0.00 0.10 0.00 0.00 34.13 32.49 2kuq s GLU 114 CO -0.05 0.36 0.01 -2.00 0.02 0.00 0.00 175.26 173.59 2kuq s GLU 115 N -0.20 0.10 0.78 1.61 2.56 -1.26 -5.16 118.70 117.13 2kuq s GLU 115 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.97 54.71 2kuq s GLU 115 Cb -0.11 0.04 0.06 0.00 2.00 0.00 0.00 34.13 36.12 2kuq s GLU 115 CO 0.02 -0.02 1.11 -1.25 -0.56 0.00 0.00 175.26 174.56 2kuq s PRO 116 N -0.40 2.11 -0.09 4.30 0.04 -1.26 -5.07 135.00 134.63 2kuq s PRO 116 Ca -0.04 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.29 2kuq s PRO 116 Cb -0.03 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 2kuq s PRO 116 CO -0.00 -1.77 -0.16 0.08 0.04 0.00 0.00 177.00 175.19 2kuq s VAL 117 N -2.77 2.82 -0.07 -0.36 1.01 -1.26 -5.08 120.40 114.68 2kuq s VAL 117 Ca 0.63 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.88 2kuq s VAL 117 Cb -0.19 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 2kuq s VAL 117 CO 0.54 0.55 -0.21 -0.63 0.00 0.00 0.00 175.10 175.36 2kuq s ILE 118 N -0.04 1.78 -0.08 2.22 1.09 -1.26 -5.12 121.20 119.79 2kuq s ILE 118 Ca -0.04 -0.88 -0.28 0.00 -1.10 0.00 0.00 60.65 58.35 2kuq s ILE 118 Cb -0.14 -1.54 -0.02 0.00 -1.06 0.00 0.00 42.46 39.70 2kuq s ILE 118 CO 0.04 0.50 0.91 -0.63 -0.10 0.00 0.00 174.94 175.66 2kuq s ILE 119 N 0.23 4.88 0.39 2.92 1.09 -1.26 -4.85 121.20 124.59 2kuq s ILE 119 Ca -0.12 1.87 -0.11 0.00 -1.10 0.00 0.00 60.65 61.19 2kuq s ILE 119 Cb -0.15 -4.23 -0.07 0.00 -1.06 0.00 0.00 42.46 36.94 2kuq s ILE 119 CO 0.06 0.10 0.76 0.42 -0.10 0.00 0.00 174.94 176.18 2kuq s THR 120 N 1.50 4.78 -0.36 2.92 -4.23 -1.26 -5.05 115.64 113.93 2kuq s THR 120 Ca 0.46 0.65 0.14 0.00 -1.18 0.00 0.00 61.69 61.76 2kuq s THR 120 Cb -0.19 -3.71 0.43 0.00 1.34 0.00 0.00 72.50 70.37 2kuq s THR 120 CO 0.20 -0.47 0.96 -1.20 -0.54 0.00 0.00 174.62 173.57 2kuq n SER 121 N -1.16 2.21 0.00 3.99 7.64 -1.26 -5.06 113.62 119.98 2kuq n SER 121 Ca 0.02 -3.01 0.00 0.00 1.01 0.00 0.00 58.87 56.89 2kuq n SER 121 Cb 0.54 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2kuq n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kuq n GLY 122 N -0.11 1.37 3.45 0.23 0.00 -1.26 -4.90 105.19 103.96 2kuq n GLY 122 Ca 0.19 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 2kuq n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kuq s SER 123 N -4.00 -0.54 -1.47 1.61 1.04 -1.26 -5.03 113.70 104.05 2kuq s SER 123 Ca 0.00 0.58 -0.10 0.00 0.48 0.00 0.00 55.95 56.90 2kuq s SER 123 Cb 0.00 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.65 2kuq s SER 123 CO 0.00 -0.55 2.50 -0.24 0.98 0.00 0.00 173.24 175.92 2kuq n SER 124 N 1.08 6.74 0.00 7.02 2.88 -1.26 -4.92 113.62 125.16 2kuq n SER 124 Ca -0.19 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 2kuq n SER 124 Cb 0.57 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 2kuq n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kuq n GLY 125 N 3.27 -0.17 3.51 0.46 0.00 -1.26 -5.01 105.19 105.99 2kuq n GLY 125 Ca 0.63 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 2kuq n GLY 125 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kuq s SER 126 N -4.00 -0.52 -0.30 1.61 1.04 -1.26 -4.88 113.70 105.39 2kuq s SER 126 Ca 0.00 0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.74 2kuq s SER 126 Cb 0.00 0.47 0.17 0.00 0.10 0.00 0.00 66.02 66.76 2kuq s SER 126 CO 0.00 -0.64 0.67 -0.44 0.98 0.00 0.00 173.24 173.81 2kuq s SER 127 N -1.76 -1.20 0.00 7.02 0.01 -0.46 -5.04 113.70 112.27 2kuq s SER 127 Ca -0.03 1.04 0.12 0.00 1.31 0.00 0.00 55.95 58.39 2kuq s SER 127 Cb -0.01 2.13 -0.01 0.00 0.21 0.00 0.00 66.02 68.34 2kuq s SER 127 CO -0.00 -0.23 0.69 0.61 0.41 0.00 0.00 173.24 174.72 2kuq n GLY 128 N 5.41 -0.12 3.75 3.44 0.00 -1.26 -4.39 105.19 112.01 2kuq n GLY 128 Ca -0.05 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.52 6.78 -0.12 1.61 1.04 -1.26 -5.02 113.70 115.21 2kuq s SER 129 Ca 0.10 0.93 -0.30 0.00 0.48 0.00 0.00 55.95 57.15 2kuq s SER 129 Cb 0.09 -2.30 0.10 0.00 0.10 0.00 0.00 66.02 64.01 2kuq s SER 129 CO 0.30 0.06 0.83 -0.55 0.98 0.00 0.00 173.24 174.86 2kuq s SER 130 N 0.23 -0.54 0.00 7.02 0.15 -1.26 -5.05 113.70 114.26 2kuq s SER 130 Ca 0.27 0.64 0.24 0.00 0.70 0.00 0.00 55.95 57.80 2kuq s SER 130 Cb -0.16 0.52 0.73 0.00 -1.71 0.00 0.00 66.02 65.39 2kuq s SER 130 CO 0.12 -0.46 1.55 0.61 1.20 0.00 0.00 173.24 176.27 2kuq n GLY 131 N 1.01 0.49 3.74 9.45 0.00 -1.26 -4.98 105.19 113.64 2kuq n GLY 131 Ca -0.15 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 2kuq n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kuq s SER 132 N -1.74 5.46 0.96 1.61 0.15 -1.26 -5.14 113.70 113.75 2kuq s SER 132 Ca 0.34 0.12 -0.14 0.00 0.70 0.00 0.00 55.95 56.97 2kuq s SER 132 Cb 0.20 -1.54 0.21 0.00 -1.71 0.00 0.00 66.02 63.18 2kuq s SER 132 CO 0.30 0.30 1.30 -0.94 1.20 0.00 0.00 173.24 175.40 2kuq s SER 133 N -1.47 3.03 0.00 5.45 1.04 -1.26 -5.03 113.70 115.46 2kuq s SER 133 Ca 0.19 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2kuq s SER 133 Cb -0.12 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2kuq s SER 133 CO 0.10 -2.77 0.00 0.61 0.98 0.00 0.00 173.24 172.16 2kuq n GLY 134 N -3.71 0.40 3.88 7.32 0.00 -1.26 -4.90 105.19 106.92 2kuq n GLY 134 Ca 0.17 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 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 2.73 -0.04 0.99 1.02 -1.26 -5.01 118.68 117.11 2kuq s LEU 135 Ca 0.00 1.02 -0.30 0.00 0.02 0.00 0.00 54.13 54.88 2kuq s LEU 135 Cb 0.00 -3.70 -0.06 0.00 0.02 0.00 0.00 46.19 42.45 2kuq s LEU 135 CO 0.00 -1.60 1.67 0.12 0.02 0.00 0.00 176.35 176.56 2kuq s PHE 136 N -3.42 1.98 -0.27 0.29 2.19 -1.26 -4.99 117.98 112.50 2kuq s PHE 136 Ca 0.60 0.17 -0.16 0.00 0.33 0.00 0.00 56.93 57.87 2kuq s PHE 136 Cb -0.11 -3.94 -0.03 0.00 -1.31 0.00 0.00 43.02 37.62 2kuq s PHE 136 CO 0.51 -3.95 0.42 1.03 1.83 0.00 0.00 175.22 175.06 2kuq s ARG 137 N 3.91 4.02 0.31 10.12 0.52 -1.26 -4.54 118.95 132.03 2kuq s ARG 137 Ca 0.74 0.11 -0.28 0.00 -0.52 0.00 0.00 55.73 55.79 2kuq s ARG 137 Cb -0.34 -3.66 -0.09 0.00 0.52 0.00 0.00 34.95 31.37 2kuq s ARG 137 CO 0.31 -0.31 1.03 -0.51 0.02 0.00 0.00 175.30 175.84 2kuq s LEU 138 N 2.15 4.44 0.41 2.53 1.43 -0.14 -4.92 118.68 124.58 2kuq s LEU 138 Ca 0.17 2.08 0.21 0.00 -1.03 0.00 0.00 54.13 55.56 2kuq s LEU 138 Cb -0.16 -3.82 0.85 0.00 0.03 0.00 0.00 46.19 43.09 2kuq s LEU 138 CO 0.10 -0.16 1.81 0.03 0.23 0.00 0.00 176.35 178.36 2kuq h ARG 139 N 3.47 0.00 -4.63 1.70 3.08 -1.90 -3.39 114.38 112.70 2kuq h ARG 139 Ca -0.47 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.33 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 0.66 0.30 -0.63 -3.38 -1.07 0.00 0.00 179.97 175.84 2kuq s HIS 140 N -3.74 1.15 -0.15 3.04 -3.43 -1.26 -1.35 115.29 109.55 2kuq s HIS 140 Ca -0.00 -1.25 -0.21 0.00 -0.80 0.00 0.00 55.06 52.79 2kuq s HIS 140 Cb 0.11 -0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 30.61 2kuq s HIS 140 CO 0.66 -0.49 0.64 0.12 -2.00 0.00 0.00 174.74 173.67 2kuq s PHE 141 N -3.99 3.44 -0.05 0.38 5.36 -1.26 -5.00 117.98 116.87 2kuq s PHE 141 Ca 0.33 1.02 0.13 0.00 -0.96 0.00 0.00 56.93 57.44 2kuq s PHE 141 Cb 0.07 -2.78 -0.15 0.00 -0.34 0.00 0.00 43.02 39.82 2kuq s PHE 141 CO 0.08 -0.07 0.97 -1.00 -1.46 0.00 0.00 175.22 173.75 2kuq h PRO 142 N 7.19 0.00 -6.33 10.12 0.13 -1.97 -3.47 132.00 137.67 2kuq h PRO 142 Ca -0.35 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.22 2kuq h PRO 142 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2kuq h PRO 142 CO 0.77 0.55 0.03 0.00 -0.23 0.00 0.00 178.00 179.12 2kuq h GLY 144 N 4.42 0.11 -4.47 0.00 0.00 -1.91 -3.44 103.07 97.78 2kuq h GLY 144 Ca -0.49 -0.19 -0.54 0.00 0.00 0.00 0.00 47.33 46.12 2kuq h GLY 144 CO 0.64 0.17 0.27 -1.31 0.00 0.00 0.00 176.54 176.31 2kuq s ASN 145 N -6.86 7.30 -0.05 0.19 0.01 -1.25 -4.86 114.94 109.42 2kuq s ASN 145 Ca -0.02 1.57 -0.02 0.00 -0.71 0.00 0.00 52.86 53.68 2kuq s ASN 145 Cb 0.11 -2.52 0.03 0.00 0.41 0.00 0.00 41.25 39.28 2kuq s ASN 145 CO 0.81 -0.12 0.12 -0.69 -1.51 0.00 0.00 177.10 175.70 2kuq s VAL 146 N 0.47 -0.05 0.21 1.60 1.01 -1.26 -3.41 120.40 118.97 2kuq s VAL 146 Ca 0.45 0.17 0.11 0.00 0.00 0.00 0.00 61.98 62.71 2kuq s VAL 146 Cb -0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 2kuq s VAL 146 CO 0.26 0.07 -0.23 0.20 0.00 0.00 0.00 175.10 175.40 2kuq s ASN 147 N 1.03 3.50 -0.09 3.32 -0.87 -0.19 -4.72 114.94 116.93 2kuq s ASN 147 Ca -0.08 -0.89 0.02 0.00 -1.57 0.00 0.00 52.86 50.33 2kuq s ASN 147 Cb -0.11 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.25 40.82 2kuq s ASN 147 CO -0.05 0.10 -0.13 -0.31 -2.57 0.00 0.00 177.10 174.15 2kuq s TYR 148 N -1.85 2.78 0.00 2.20 2.02 -1.26 -1.70 117.35 119.54 2kuq s TYR 148 Ca 0.23 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 2kuq s TYR 148 Cb -0.07 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 2kuq s TYR 148 CO 0.11 0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.54 2kuq n GLY 149 N 2.83 0.95 3.68 0.71 0.00 -1.09 -4.99 105.19 107.29 2kuq n GLY 149 Ca -0.18 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 2.39 1.66 0.32 1.61 1.51 -1.26 -5.02 117.35 118.57 2kuq s TYR 150 Ca 0.00 1.77 -0.04 0.00 -1.01 0.00 0.00 57.07 57.79 2kuq s TYR 150 Cb 0.00 -3.37 -0.00 0.00 -0.11 0.00 0.00 41.96 38.48 2kuq s TYR 150 CO 0.00 -2.81 0.45 1.14 -1.11 0.00 0.00 175.55 173.23 2kuq s GLN 151 N -4.55 1.82 -0.70 -0.62 -2.07 -1.26 -4.81 119.66 107.48 2kuq s GLN 151 Ca 0.68 -1.68 -0.23 0.00 -1.82 0.00 0.00 55.36 52.30 2kuq s GLN 151 Cb -0.24 0.44 0.06 0.00 -1.09 0.00 0.00 33.01 32.18 2kuq s GLN 151 CO 0.56 -0.75 1.06 -0.65 -1.32 0.00 0.00 175.29 174.20 2kuq s GLN 152 N -3.25 3.16 0.00 9.60 -0.21 -1.26 -5.23 119.66 122.47 2kuq s GLN 152 Ca 0.30 -0.73 0.30 0.00 0.02 0.00 0.00 55.36 55.25 2kuq s GLN 152 Cb 0.00 -4.27 1.57 0.00 1.00 0.00 0.00 33.01 31.30 2kuq s GLN 152 CO 0.18 -1.91 2.04 0.00 -2.12 0.00 0.00 175.29 173.48