#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 -0.28 0.17 1.61 1.04 -1.26 -5.20 113.70 109.78 2kuq s SER 2 Ca 0.00 -0.35 -0.24 0.00 0.48 0.00 0.00 55.95 55.85 2kuq s SER 2 Cb 0.00 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.74 2kuq s SER 2 CO 0.00 -1.00 0.74 -0.55 0.98 0.00 0.00 173.24 173.41 2kuq s SER 3 N -2.84 -0.39 -0.18 7.02 0.15 -1.26 -5.03 113.70 111.18 2kuq s SER 3 Ca 0.09 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.50 2kuq s SER 3 Cb -0.03 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2kuq s SER 3 CO -0.00 -1.01 0.16 0.61 1.20 0.00 0.00 173.24 174.19 2kuq n GLY 4 N -0.39 0.51 3.65 9.45 0.00 -1.26 -5.07 105.19 112.07 2kuq n GLY 4 Ca -0.10 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.13 0.36 -0.01 1.61 0.15 -1.26 -5.20 113.70 106.22 2kuq s SER 5 Ca 0.04 -1.23 -0.30 0.00 0.70 0.00 0.00 55.95 55.16 2kuq s SER 5 Cb -0.02 0.73 0.07 0.00 -1.71 0.00 0.00 66.02 65.09 2kuq s SER 5 CO 0.11 -1.43 0.67 -0.55 1.20 0.00 0.00 173.24 173.24 2kuq s SER 6 N -3.12 -0.64 0.00 5.45 0.15 -1.26 -5.19 113.70 109.08 2kuq s SER 6 Ca 0.23 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.46 2kuq s SER 6 Cb -0.03 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2kuq s SER 6 CO 0.15 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2kuq n GLY 7 N 0.68 5.28 3.41 9.45 0.00 -1.26 -5.19 105.19 117.55 2kuq n GLY 7 Ca -0.19 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 2kuq n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kuq s LEU 8 N 0.00 0.06 0.10 0.99 2.96 -1.26 -5.18 118.68 116.35 2kuq s LEU 8 Ca 0.00 1.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.97 2kuq s LEU 8 Cb 0.00 1.74 -0.04 0.00 0.50 0.00 0.00 46.19 48.40 2kuq s LEU 8 CO 0.00 -0.18 0.10 0.20 -1.32 0.00 0.00 176.35 175.15 2kuq s ASN 9 N 0.27 5.56 0.51 3.68 0.01 -1.26 -5.03 114.94 118.68 2kuq s ASN 9 Ca -0.00 -0.03 0.31 0.00 -0.71 0.00 0.00 52.86 52.43 2kuq s ASN 9 Cb -0.04 -1.49 1.09 0.00 0.41 0.00 0.00 41.25 41.22 2kuq s ASN 9 CO 0.01 0.15 1.88 0.03 -1.51 0.00 0.00 177.10 177.65 2kuq h ARG 10 N 3.06 0.00 -5.15 -0.60 -0.00 -2.09 -3.41 114.38 106.20 2kuq h ARG 10 Ca -0.47 0.00 -0.67 0.00 -0.50 0.00 0.00 59.98 58.34 2kuq h ARG 10 Cb 1.17 0.00 -0.34 0.00 0.00 0.00 0.00 29.97 30.80 2kuq h ARG 10 CO 0.66 0.00 -0.87 -0.51 0.00 0.00 0.00 179.97 179.25 2kuq s ASP 11 N -5.74 3.06 0.79 7.04 1.01 -1.26 -5.15 116.67 116.41 2kuq s ASP 11 Ca 0.03 -0.59 -0.07 0.00 0.71 0.00 0.00 52.55 52.63 2kuq s ASP 11 Cb 0.08 -1.42 0.13 0.00 1.01 0.00 0.00 42.92 42.73 2kuq s ASP 11 CO 0.57 0.07 1.10 -0.55 0.21 0.00 0.00 175.17 176.56 2kuq s SER 12 N 0.87 4.08 -0.30 0.27 0.15 -1.26 -5.13 113.70 112.38 2kuq s SER 12 Ca -0.06 0.02 -0.10 0.00 0.70 0.00 0.00 55.95 56.51 2kuq s SER 12 Cb -0.15 -0.36 0.13 0.00 -1.71 0.00 0.00 66.02 63.93 2kuq s SER 12 CO -0.03 -2.06 0.65 0.54 1.20 0.00 0.00 173.24 173.54 2kuq s VAL 13 N -3.39 -0.99 0.39 4.45 0.11 -1.26 -5.16 120.40 114.55 2kuq s VAL 13 Ca 0.67 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.48 2kuq s VAL 13 Cb -0.06 -0.99 -0.09 0.00 -1.53 0.00 0.00 36.38 33.70 2kuq s VAL 13 CO 0.47 0.00 1.03 -2.16 -3.33 0.00 0.00 175.10 171.11 2kuq s PRO 14 N 2.89 4.21 0.00 1.54 0.04 -1.26 -4.96 135.00 137.47 2kuq s PRO 14 Ca -0.06 1.47 0.09 0.00 0.04 0.00 0.00 61.00 62.54 2kuq s PRO 14 Cb -0.12 -2.54 0.47 0.00 0.04 0.00 0.00 34.50 32.35 2kuq s PRO 14 CO -0.19 -0.09 1.19 -0.40 0.04 0.00 0.00 177.00 177.55 2kuq n ASP 15 N -0.05 0.00 -0.19 6.66 5.75 -1.26 -2.99 116.55 124.47 2kuq n ASP 15 Ca 0.05 0.18 0.02 0.00 -0.01 0.00 0.00 54.79 55.04 2kuq n ASP 15 Cb 0.50 -0.31 0.03 0.00 -1.03 0.00 0.00 41.12 40.31 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 0.87 -4.72 -1.12 0.23 -1.26 -5.10 115.26 102.85 2kuq n ASN 16 Ca 0.04 -1.99 -0.64 0.00 -0.53 0.00 0.00 54.58 51.46 2kuq n ASN 16 Cb 0.08 -0.17 -0.09 0.00 -2.08 0.00 0.00 39.78 37.52 2kuq n ASN 16 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 2kuq n HIS 17 N -0.41 1.74 0.69 -2.53 -0.00 -1.16 -4.90 115.22 108.65 2kuq n HIS 17 Ca 0.04 0.98 0.12 0.00 0.46 0.00 0.00 57.72 59.32 2kuq n HIS 17 Cb 0.56 -2.28 0.28 0.00 -0.12 0.00 0.00 29.99 28.43 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 4.11 0.21 0.00 1.57 -0.04 -1.26 -4.45 135.00 135.14 2kuq n PRO 18 Ca 0.29 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2kuq n PRO 18 Cb 0.00 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 -1.98 0.00 -5.11 0.52 -2.24 -1.26 -5.03 114.28 99.18 2kuq n THR 19 Ca 0.04 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.48 2kuq n THR 19 Cb 0.41 0.34 -0.15 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.80 2.21 -0.06 -0.78 1.02 -1.26 -3.29 119.74 116.78 2kuq s LYS 20 Ca 0.00 -0.87 -0.02 0.00 0.02 0.00 0.00 55.97 55.10 2kuq s LYS 20 Cb 0.00 -2.15 0.03 0.00 -0.52 0.00 0.00 37.83 35.19 2kuq s LYS 20 CO 0.00 0.57 0.03 -0.06 -0.92 0.00 0.00 175.35 174.98 2kuq s PHE 21 N -0.68 0.36 0.08 3.18 0.08 0.01 -4.71 117.98 116.30 2kuq s PHE 21 Ca 0.11 0.04 -0.31 0.00 0.12 0.00 0.00 56.93 56.89 2kuq s PHE 21 Cb -0.10 -0.64 -0.08 0.00 -0.57 0.00 0.00 43.02 41.63 2kuq s PHE 21 CO 0.00 -0.26 1.49 0.15 -0.10 0.00 0.00 175.22 176.50 2kuq s LYS 22 N 2.07 4.26 0.06 0.44 3.01 -1.26 -0.60 119.74 127.72 2kuq s LYS 22 Ca 0.05 2.16 0.02 0.00 -1.01 0.00 0.00 55.97 57.18 2kuq s LYS 22 Cb -0.12 -3.41 -0.03 0.00 -1.01 0.00 0.00 37.83 33.26 2kuq s LYS 22 CO -0.04 -0.58 -0.07 0.14 0.51 0.00 0.00 175.35 175.31 2kuq s VAL 23 N 1.86 0.54 -0.12 3.17 -7.23 0.03 -4.78 120.40 113.87 2kuq s VAL 23 Ca 0.68 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 59.41 2kuq s VAL 23 Cb -0.37 -1.03 0.03 0.00 0.56 0.00 0.00 36.38 35.57 2kuq s VAL 23 CO 0.30 -0.61 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.56 2kuq s THR 24 N -2.37 0.76 0.32 5.32 2.01 -1.04 -0.96 115.64 119.67 2kuq s THR 24 Ca -0.01 -0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 2kuq s THR 24 Cb -0.03 -0.92 -0.11 0.00 0.01 0.00 0.00 72.50 71.45 2kuq s THR 24 CO -0.02 0.21 1.43 0.21 -0.69 0.00 0.00 174.62 175.75 2kuq s ASN 25 N 1.80 6.57 0.09 3.53 3.04 -0.27 -0.69 114.94 129.01 2kuq s ASN 25 Ca 0.03 2.82 0.05 0.00 0.04 0.00 0.00 52.86 55.80 2kuq s ASN 25 Cb -0.14 -2.65 -0.03 0.00 -1.54 0.00 0.00 41.25 36.89 2kuq s ASN 25 CO -0.07 -0.72 -0.12 0.68 -3.04 0.00 0.00 177.10 173.83 2kuq s VAL 26 N -0.71 1.08 0.40 -5.21 -7.23 -0.36 -1.29 120.40 107.07 2kuq s VAL 26 Ca 0.54 -1.53 -0.06 0.00 -1.81 0.00 0.00 61.98 59.12 2kuq s VAL 26 Cb -0.43 -1.28 0.09 0.00 0.56 0.00 0.00 36.38 35.32 2kuq s VAL 26 CO 0.53 -0.41 0.54 -0.90 -0.31 0.00 0.00 175.10 174.55 2kuq n ASP 27 N 0.81 0.12 0.27 4.85 5.75 -1.19 -4.46 116.55 122.70 2kuq n ASP 27 Ca -0.18 -1.25 0.12 0.00 -0.01 0.00 0.00 54.79 53.48 2kuq n ASP 27 Cb 0.56 -0.41 0.74 0.00 -1.03 0.00 0.00 41.12 40.98 2kuq n ASP 27 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2kuq h ASP 28 N -0.67 0.00 -0.04 -1.12 3.58 -1.96 -1.78 116.42 114.43 2kuq h ASP 28 Ca -0.18 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2kuq h ASP 28 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2kuq h ASP 28 CO 0.13 0.10 0.00 -0.62 -2.88 0.00 0.00 179.24 175.97 2kuq n GLU 29 N -3.78 1.87 -0.89 0.28 1.02 -1.26 -4.98 120.64 112.90 2kuq n GLU 29 Ca -0.02 -1.27 0.00 0.00 -0.02 0.00 0.00 57.16 55.85 2kuq n GLU 29 Cb 0.20 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.23 0.49 3.72 0.62 0.00 -0.67 -5.04 105.19 105.54 2kuq n GLY 30 Ca 0.17 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 4.52 -0.02 1.61 1.01 -1.26 -4.79 120.40 119.47 2kuq s VAL 31 Ca 0.00 1.90 -0.30 0.00 0.00 0.00 0.00 61.98 63.58 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 0.20 1.77 -1.61 0.00 0.00 0.00 175.10 175.45 2kuq s GLU 32 N 0.66 4.17 -0.21 2.72 2.02 -1.26 -3.15 118.70 123.65 2kuq s GLU 32 Ca 0.52 2.35 -0.14 0.00 0.02 0.00 0.00 54.97 57.72 2kuq s GLU 32 Cb -0.24 -4.04 -0.08 0.00 0.10 0.00 0.00 34.13 29.87 2kuq s GLU 32 CO 0.29 -0.88 -0.32 1.28 0.02 0.00 0.00 175.26 175.65 2kuq n LEU 33 N 7.22 1.81 -3.57 1.80 4.77 -0.42 -5.03 117.00 123.59 2kuq n LEU 33 Ca 0.18 0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 56.33 2kuq n LEU 33 Cb 0.42 -0.72 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 2kuq n LEU 33 CO 0.64 0.16 0.55 -0.83 -1.33 0.00 0.00 177.39 176.58 2kuq s GLY 34 N -5.18 -0.45 0.13 -0.72 0.00 -1.24 -5.01 107.32 94.84 2kuq s GLY 34 Ca -0.31 1.81 0.01 0.00 0.00 0.00 0.00 44.72 46.23 2kuq s GLY 34 CO 0.42 1.27 0.28 -1.35 0.00 0.00 0.00 173.10 173.72 2kuq s SER 35 N -0.62 6.36 0.30 1.64 1.04 -1.26 -1.12 113.70 120.04 2kuq s SER 35 Ca -0.05 0.26 -0.18 0.00 0.48 0.00 0.00 55.95 56.46 2kuq s SER 35 Cb -0.02 -1.95 0.07 0.00 0.10 0.00 0.00 66.02 64.22 2kuq s SER 35 CO 0.04 0.07 0.90 -0.83 0.98 0.00 0.00 173.24 174.40 2kuq s GLY 36 N -2.96 0.27 -0.26 7.32 0.00 -0.13 -4.81 107.32 106.75 2kuq s GLY 36 Ca 0.36 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.49 2kuq s GLY 36 CO 0.28 0.91 -0.08 0.14 0.00 0.00 0.00 173.10 174.35 2kuq s VAL 37 N -2.20 2.54 0.23 1.40 1.01 0.59 -0.79 120.40 123.17 2kuq s VAL 37 Ca 0.18 -1.34 -0.25 0.00 0.00 0.00 0.00 61.98 60.57 2kuq s VAL 37 Cb -0.04 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 33.87 2kuq s VAL 37 CO 0.09 0.07 0.83 -0.32 0.00 0.00 0.00 175.10 175.77 2kuq s MET 38 N 1.22 4.55 -0.03 2.72 0.00 0.23 -1.10 119.30 126.88 2kuq s MET 38 Ca -0.04 1.18 -0.01 0.00 0.00 0.00 0.00 55.69 56.83 2kuq s MET 38 Cb -0.18 -3.07 0.03 0.00 0.00 0.00 0.00 34.83 31.61 2kuq s MET 38 CO -0.05 0.45 0.06 -2.00 0.00 0.00 0.00 175.02 173.48 2kuq s GLU 39 N -1.56 -0.01 -0.13 4.11 2.12 0.07 -0.81 118.70 122.49 2kuq s GLU 39 Ca 0.42 0.23 -0.01 0.00 0.36 0.00 0.00 54.97 55.97 2kuq s GLU 39 Cb -0.21 -0.24 -0.02 0.00 0.26 0.00 0.00 34.13 33.93 2kuq s GLU 39 CO 0.25 -0.17 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.18 2kuq s LEU 40 N 1.11 2.85 0.19 2.70 1.02 -1.21 -0.26 118.68 125.07 2kuq s LEU 40 Ca -0.09 -0.27 0.08 0.00 0.02 0.00 0.00 54.13 53.88 2kuq s LEU 40 Cb -0.13 -1.65 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 2kuq s LEU 40 CO -0.04 0.18 -0.17 0.42 0.02 0.00 0.00 176.35 176.77 2kuq s THR 41 N 0.25 1.84 -1.11 5.49 -4.23 -0.71 -4.98 115.64 112.20 2kuq s THR 41 Ca -0.08 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 58.41 2kuq s THR 41 Cb -0.15 -1.95 0.05 0.00 1.34 0.00 0.00 72.50 71.79 2kuq s THR 41 CO 0.05 -0.43 1.12 1.67 -0.54 0.00 0.00 174.62 176.49 2kuq n GLN 42 N -0.04 0.02 -0.08 3.99 7.27 -1.26 -2.23 117.38 125.05 2kuq n GLN 42 Ca -0.10 0.37 -0.13 0.00 0.07 0.00 0.00 57.00 57.20 2kuq n GLN 42 Cb 0.59 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.59 2kuq n GLN 42 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2kuq n SER 43 N -1.45 1.00 -3.61 1.69 7.64 -1.26 -4.97 113.62 112.66 2kuq n SER 43 Ca 0.02 0.06 -0.02 0.00 1.01 0.00 0.00 58.87 59.94 2kuq n SER 43 Cb 0.05 0.16 -0.01 0.00 -1.01 0.00 0.00 64.21 63.41 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 -2.53 0.37 0.06 1.43 -1.05 -0.95 -4.22 118.70 111.82 2kuq s GLU 44 Ca -0.18 -0.18 -0.26 0.00 -0.15 0.00 0.00 54.97 54.21 2kuq s GLU 44 Cb 0.07 0.15 -0.06 0.00 -0.44 0.00 0.00 34.13 33.85 2kuq s GLU 44 CO 0.76 -0.17 0.80 -1.17 0.95 0.00 0.00 175.26 176.43 2kuq s LEU 45 N -2.57 4.46 0.09 1.83 0.20 -0.42 -1.74 118.68 120.53 2kuq s LEU 45 Ca 0.12 1.51 0.06 0.00 0.69 0.00 0.00 54.13 56.51 2kuq s LEU 45 Cb 0.02 -3.29 -0.03 0.00 -0.43 0.00 0.00 46.19 42.46 2kuq s LEU 45 CO -0.04 0.01 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.18 2kuq s VAL 46 N -0.09 1.27 -0.09 1.68 1.01 0.64 -1.16 120.40 123.66 2kuq s VAL 46 Ca 0.40 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 2kuq s VAL 46 Cb -0.21 -1.24 0.05 0.00 0.00 0.00 0.00 36.38 34.98 2kuq s VAL 46 CO 0.24 -0.22 0.18 -0.22 0.00 0.00 0.00 175.10 175.08 2kuq s LEU 47 N -1.89 -0.07 -0.21 3.92 0.20 -0.15 -0.75 118.68 119.73 2kuq s LEU 47 Ca 0.01 0.38 -0.10 0.00 0.69 0.00 0.00 54.13 55.12 2kuq s LEU 47 Cb -0.09 0.36 -0.05 0.00 -0.43 0.00 0.00 46.19 45.98 2kuq s LEU 47 CO 0.03 -0.24 0.12 -1.00 -0.29 0.00 0.00 176.35 174.97 2kuq s HIS 48 N 2.25 3.36 0.02 5.38 3.76 -0.26 -0.42 115.29 129.37 2kuq s HIS 48 Ca 0.02 0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.18 2kuq s HIS 48 Cb -0.12 -2.17 0.00 0.00 1.11 0.00 0.00 32.58 31.40 2kuq s HIS 48 CO -0.06 0.21 0.00 1.28 -0.85 0.00 0.00 174.74 175.32 2kuq n LEU 49 N 3.70 0.16 0.00 0.89 4.32 -1.26 -0.30 117.00 124.50 2kuq n LEU 49 Ca -0.16 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 2kuq n LEU 49 Cb 0.52 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 2kuq n LEU 49 CO 0.36 -0.16 0.00 1.57 -1.22 0.00 0.00 177.39 177.94 2kuq n HIS 50 N -3.04 0.00 -0.02 -1.77 -0.00 -1.26 -4.79 115.22 104.33 2kuq n HIS 50 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 2kuq n HIS 50 Cb 0.38 0.00 0.38 0.00 -0.00 0.00 0.00 29.99 30.75 2kuq n HIS 50 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 2kuq h ARG 51 N 0.00 0.58 -6.26 1.57 2.43 -2.05 -3.43 114.38 107.22 2kuq h ARG 51 Ca 0.00 -0.05 -0.68 0.00 -0.81 0.00 0.00 59.98 58.44 2kuq h ARG 51 Cb 0.00 -0.12 0.06 0.00 -0.42 0.00 0.00 29.97 29.49 2kuq h ARG 51 CO 0.00 0.43 0.33 -2.13 -1.51 0.00 0.00 179.97 177.09 2kuq n ARG 52 N -4.43 1.01 -1.67 0.20 0.63 -1.26 -4.91 116.66 106.24 2kuq n ARG 52 Ca 0.03 0.36 -0.40 0.00 -0.92 0.00 0.00 57.85 56.92 2kuq n ARG 52 Cb 0.10 -1.93 0.02 0.00 0.45 0.00 0.00 32.46 31.10 2kuq n ARG 52 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2kuq n GLU 53 N 2.13 1.61 -1.89 -0.14 0.28 -1.26 -4.63 120.64 116.74 2kuq n GLU 53 Ca 0.17 0.58 -0.40 0.00 -0.16 0.00 0.00 57.16 57.36 2kuq n GLU 53 Cb 0.20 -2.28 0.01 0.00 1.43 0.00 0.00 31.44 30.80 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 -1.27 3.25 -0.26 -1.84 0.00 -1.26 -4.90 121.76 115.49 2kuq s ALA 54 Ca 0.65 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.83 2kuq s ALA 54 Cb -0.50 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.03 2kuq s ALA 54 CO 0.55 -1.05 0.38 0.08 0.00 0.00 0.00 175.76 175.72 2kuq s VAL 55 N -1.22 5.18 -0.05 0.00 1.01 0.44 -4.87 120.40 120.89 2kuq s VAL 55 Ca 0.59 0.60 0.04 0.00 0.00 0.00 0.00 61.98 63.21 2kuq s VAL 55 Cb -0.42 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2kuq s VAL 55 CO 0.54 0.18 -0.18 -0.13 0.00 0.00 0.00 175.10 175.50 2kuq s ARG 56 N 1.92 2.50 -0.20 2.72 0.52 -1.26 -0.98 118.95 124.17 2kuq s ARG 56 Ca 0.16 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.59 2kuq s ARG 56 Cb -0.16 -2.31 0.06 0.00 0.52 0.00 0.00 34.95 33.07 2kuq s ARG 56 CO 0.09 0.55 -0.00 -1.58 0.02 0.00 0.00 175.30 174.38 2kuq s TRP 57 N -0.55 1.49 0.41 -0.53 0.51 -0.31 -3.36 118.94 116.60 2kuq s TRP 57 Ca 0.08 -1.13 -0.26 0.00 -2.12 0.00 0.00 56.10 52.67 2kuq s TRP 57 Cb -0.11 -1.21 -0.08 0.00 -0.81 0.00 0.00 33.47 31.25 2kuq s TRP 57 CO 0.01 -0.65 1.26 -1.25 -0.51 0.00 0.00 176.95 175.80 2kuq s PRO 58 N 1.70 3.98 0.53 4.98 0.04 -1.26 -1.30 135.00 143.67 2kuq s PRO 58 Ca -0.02 2.04 0.28 0.00 0.04 0.00 0.00 61.00 63.35 2kuq s PRO 58 Cb -0.17 -2.72 1.50 0.00 0.04 0.00 0.00 34.50 33.15 2kuq s PRO 58 CO -0.07 -0.44 2.09 1.88 0.04 0.00 0.00 177.00 180.49 2kuq h TYR 59 N 2.64 0.00 0.00 0.56 0.05 -1.94 -0.84 116.97 117.44 2kuq h TYR 59 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2kuq h TYR 59 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 2kuq h TYR 59 CO 0.54 0.10 0.00 1.37 -1.05 0.00 0.00 178.16 179.12 2kuq h LEU 60 N 0.00 0.00 0.00 3.88 -0.00 -1.91 -2.50 115.31 114.78 2kuq h LEU 60 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kuq h LEU 60 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 2kuq h LEU 60 CO 0.01 0.00 -0.46 0.00 -0.00 0.00 0.00 178.44 177.99 2kuq s LEU 62 N -3.37 3.47 0.20 0.00 1.43 -0.94 -0.91 118.68 118.56 2kuq s LEU 62 Ca 0.10 -0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 52.42 2kuq s LEU 62 Cb 0.16 -2.53 0.15 0.00 0.03 0.00 0.00 46.19 44.00 2kuq s LEU 62 CO 0.68 -1.70 1.53 -0.09 0.23 0.00 0.00 176.35 177.01 2kuq h ARG 63 N 9.88 0.54 -2.18 1.70 9.65 -1.82 -3.06 114.38 129.09 2kuq h ARG 63 Ca -0.19 -0.32 -0.04 0.00 -1.10 0.00 0.00 59.98 58.33 2kuq h ARG 63 Cb 1.05 0.03 -0.18 0.00 -1.39 0.00 0.00 29.97 29.48 2kuq h ARG 63 CO 1.28 0.92 0.22 -0.98 2.80 0.00 0.00 179.97 184.22 2kuq s ARG 64 N -4.06 1.07 0.00 0.20 1.70 -1.26 -1.24 118.95 115.37 2kuq s ARG 64 Ca -0.07 0.09 -0.22 0.00 -0.47 0.00 0.00 55.73 55.06 2kuq s ARG 64 Cb 0.12 0.50 0.05 0.00 -0.57 0.00 0.00 34.95 35.04 2kuq s ARG 64 CO 0.83 -0.37 0.48 1.52 -1.08 0.00 0.00 175.30 176.69 2kuq s TYR 65 N -1.74 -0.39 0.33 5.89 -0.85 -0.70 -1.01 117.35 118.88 2kuq s TYR 65 Ca -0.08 0.54 -0.18 0.00 -0.52 0.00 0.00 57.07 56.84 2kuq s TYR 65 Cb -0.00 0.27 0.06 0.00 0.38 0.00 0.00 41.96 42.66 2kuq s TYR 65 CO 0.04 -0.55 0.84 0.20 -1.52 0.00 0.00 175.55 174.56 2kuq s GLY 66 N -1.60 0.26 0.16 5.49 0.00 0.33 -0.64 107.32 111.33 2kuq s GLY 66 Ca -0.09 -0.60 -0.21 0.00 0.00 0.00 0.00 44.72 43.82 2kuq s GLY 66 CO 0.03 0.29 0.56 -2.52 0.00 0.00 0.00 173.10 171.46 2kuq s TYR 67 N -2.44 -0.41 0.31 1.90 1.13 -1.14 -1.57 117.35 115.12 2kuq s TYR 67 Ca 0.16 0.16 0.04 0.00 -1.41 0.00 0.00 57.07 56.02 2kuq s TYR 67 Cb -0.05 0.50 -0.02 0.00 -1.10 0.00 0.00 41.96 41.30 2kuq s TYR 67 CO 0.09 -0.85 0.15 -3.47 -2.51 0.00 0.00 175.55 168.96 2kuq n ASP 68 N -0.35 0.62 0.01 -0.18 -0.08 0.62 -2.83 116.55 114.36 2kuq n ASP 68 Ca -0.15 -2.74 0.04 0.00 -1.51 0.00 0.00 54.79 50.43 2kuq n ASP 68 Cb 0.64 0.98 0.18 0.00 2.34 0.00 0.00 41.12 45.27 2kuq n ASP 68 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2kuq n SER 69 N -1.74 0.06 -0.47 1.67 7.64 -1.26 -3.02 113.62 116.50 2kuq n SER 69 Ca -0.01 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2kuq n SER 69 Cb 0.49 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2kuq n SER 69 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2kuq n ASN 70 N -1.58 0.00 -3.81 6.43 0.23 -1.26 -4.90 115.26 110.38 2kuq n ASN 70 Ca 0.01 -1.22 -0.13 0.00 -0.53 0.00 0.00 54.58 52.72 2kuq n ASN 70 Cb 0.08 -0.04 -0.12 0.00 -2.08 0.00 0.00 39.78 37.62 2kuq n ASN 70 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2kuq s LEU 71 N 0.00 1.29 -0.07 -4.53 2.96 -1.17 -1.22 118.68 115.94 2kuq s LEU 71 Ca 0.00 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 2kuq s LEU 71 Cb 0.00 0.62 0.02 0.00 0.50 0.00 0.00 46.19 47.33 2kuq s LEU 71 CO 0.00 -0.07 -0.11 0.12 -1.32 0.00 0.00 176.35 174.97 2kuq s PHE 72 N 0.13 1.38 0.02 5.38 5.36 -0.02 -0.28 117.98 129.95 2kuq s PHE 72 Ca -0.00 -0.52 -0.01 0.00 -0.96 0.00 0.00 56.93 55.44 2kuq s PHE 72 Cb -0.02 -1.04 -0.02 0.00 -0.34 0.00 0.00 43.02 41.61 2kuq s PHE 72 CO 0.00 -0.29 -0.01 0.45 -1.46 0.00 0.00 175.22 173.91 2kuq s SER 73 N 0.78 0.25 0.04 6.13 0.15 -0.61 -0.93 113.70 119.52 2kuq s SER 73 Ca -0.13 -0.54 -0.21 0.00 0.70 0.00 0.00 55.95 55.78 2kuq s SER 73 Cb -0.15 0.13 0.05 0.00 -1.71 0.00 0.00 66.02 64.33 2kuq s SER 73 CO 0.02 -0.35 0.48 0.72 1.20 0.00 0.00 173.24 175.31 2kuq s PHE 74 N -1.82 -0.36 -0.16 3.44 -0.71 -0.85 -0.51 117.98 117.02 2kuq s PHE 74 Ca -0.12 0.38 -0.04 0.00 -1.04 0.00 0.00 56.93 56.10 2kuq s PHE 74 Cb -0.07 0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 2kuq s PHE 74 CO -0.02 -0.61 -0.02 -2.00 -1.34 0.00 0.00 175.22 171.23 2kuq s GLU 75 N -2.42 3.70 -0.07 1.99 2.12 -0.18 -1.81 118.70 122.04 2kuq s GLU 75 Ca -0.05 -0.48 0.05 0.00 0.36 0.00 0.00 54.97 54.84 2kuq s GLU 75 Cb -0.01 -2.97 -0.01 0.00 0.26 0.00 0.00 34.13 31.40 2kuq s GLU 75 CO -0.02 0.27 -0.21 -1.12 -0.54 0.00 0.00 175.26 173.64 2kuq s SER 76 N 0.29 3.37 1.05 -1.70 0.01 -0.07 -3.08 113.70 113.58 2kuq s SER 76 Ca -0.02 -0.43 -0.13 0.00 1.31 0.00 0.00 55.95 56.68 2kuq s SER 76 Cb -0.14 -0.97 0.18 0.00 0.21 0.00 0.00 66.02 65.30 2kuq s SER 76 CO 0.02 0.25 0.91 0.61 0.41 0.00 0.00 173.24 175.44 2kuq n GLY 77 N 2.95 -1.77 0.00 3.44 0.00 -0.08 -1.60 105.19 108.12 2kuq n GLY 77 Ca -0.18 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.25 2kuq n GLY 77 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kuq n ARG 78 N -3.28 0.52 -0.43 1.61 -4.01 -1.26 -3.72 116.66 106.09 2kuq n ARG 78 Ca 0.12 0.00 0.11 0.00 -1.04 0.00 0.00 57.85 57.04 2kuq n ARG 78 Cb 0.42 -1.28 0.33 0.00 -3.04 0.00 0.00 32.46 28.89 2kuq n ARG 78 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2kuq n ARG 79 N -0.78 2.94 -4.74 2.89 1.74 -1.26 -4.78 116.66 112.67 2kuq n ARG 79 Ca 0.07 -2.68 -0.32 0.00 -0.77 0.00 0.00 57.85 54.14 2kuq n ARG 79 Cb 0.03 -1.65 -0.08 0.00 -1.02 0.00 0.00 32.46 29.75 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 1.41 0.00 -0.00 0.00 4.15 -1.93 -3.16 115.11 115.58 2kuq h GLN 81 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2kuq h GLN 81 Cb 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 2kuq h GLN 81 CO 0.74 0.07 -0.72 0.25 -1.93 0.00 0.00 178.83 177.24 2kuq n THR 82 N -3.20 0.00 -0.08 2.39 -2.24 -1.26 -4.98 114.28 104.90 2kuq n THR 82 Ca 0.00 -0.14 0.01 0.00 -2.27 0.00 0.00 64.05 61.66 2kuq n THR 82 Cb 0.33 1.02 -0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 -1.45 3.71 3.38 0.00 -1.20 -4.65 105.19 106.35 2kuq n GLY 83 Ca 0.04 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.28 4.26 0.00 1.61 0.74 -1.24 -4.76 119.66 118.98 2kuq s GLN 84 Ca 0.00 2.22 0.00 0.00 0.05 0.00 0.00 55.36 57.63 2kuq s GLN 84 Cb 0.00 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.88 2kuq s GLN 84 CO 0.00 -0.54 0.00 0.41 -0.55 0.00 0.00 175.29 174.61 2kuq n GLY 85 N 3.65 -1.39 3.17 2.59 0.00 -0.63 -4.85 105.19 107.74 2kuq n GLY 85 Ca 0.13 -1.00 -0.23 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 -2.84 1.31 0.07 -0.61 1.01 -1.25 -0.89 121.20 118.00 2kuq s ILE 86 Ca 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.80 2kuq s ILE 86 Cb 0.00 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 2kuq s ILE 86 CO 0.00 0.23 -0.10 -0.36 0.00 0.00 0.00 174.94 174.71 2kuq s PHE 87 N -0.60 0.97 -0.03 3.97 0.08 -0.75 -0.68 117.98 120.94 2kuq s PHE 87 Ca 0.05 -0.58 -0.05 0.00 0.12 0.00 0.00 56.93 56.48 2kuq s PHE 87 Cb -0.07 -0.55 0.01 0.00 -0.57 0.00 0.00 43.02 41.84 2kuq s PHE 87 CO 0.00 -0.02 0.12 0.00 -0.10 0.00 0.00 175.22 175.22 2kuq s ALA 88 N -1.92 -0.28 -0.02 5.36 0.00 -1.26 -2.00 121.76 121.64 2kuq s ALA 88 Ca -0.01 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.12 2kuq s ALA 88 Cb -0.06 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.97 2kuq s ALA 88 CO 0.00 -0.11 -0.05 -0.06 0.00 0.00 0.00 175.76 175.55 2kuq s PHE 89 N -0.44 0.63 -0.15 0.00 0.40 -0.10 -1.22 117.98 117.09 2kuq s PHE 89 Ca -0.05 -0.14 -0.20 0.00 -0.60 0.00 0.00 56.93 55.94 2kuq s PHE 89 Cb -0.03 -0.51 -0.04 0.00 0.51 0.00 0.00 43.02 42.95 2kuq s PHE 89 CO 0.00 -0.10 0.55 0.21 0.70 0.00 0.00 175.22 176.59 2kuq s LYS 90 N 0.43 4.29 -0.29 0.44 2.20 0.14 -0.84 119.74 126.11 2kuq s LYS 90 Ca -0.05 0.54 -0.22 0.00 -0.36 0.00 0.00 55.97 55.88 2kuq s LYS 90 Cb -0.09 -3.50 0.14 0.00 -1.51 0.00 0.00 37.83 32.87 2kuq s LYS 90 CO -0.00 -0.01 1.08 0.00 -0.36 0.00 0.00 175.35 176.06 2kuq h SER 92 N 4.62 0.00 -0.42 0.00 4.64 -1.88 -3.11 113.55 117.40 2kuq h SER 92 Ca -0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 2kuq h SER 92 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2kuq h SER 92 CO 0.15 0.00 0.02 0.54 -0.87 0.00 0.00 176.83 176.66 2kuq n ARG 93 N -2.51 3.75 -0.33 4.77 1.74 -1.26 -4.76 116.66 118.07 2kuq n ARG 93 Ca 0.03 -3.00 0.23 0.00 -0.77 0.00 0.00 57.85 54.33 2kuq n ARG 93 Cb 0.31 -2.04 0.51 0.00 -1.02 0.00 0.00 32.46 30.21 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 2.72 2.24 -0.37 7.54 0.00 -1.85 -0.25 119.26 129.29 2kuq h ALA 94 Ca 0.02 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2kuq h ALA 94 Cb 1.73 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 2kuq h ALA 94 CO 0.37 -0.65 0.05 1.49 0.00 0.00 0.00 179.25 180.51 2kuq h GLU 95 N 0.39 0.55 -0.01 0.00 4.81 -1.86 -1.38 114.58 117.08 2kuq h GLU 95 Ca 0.60 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 59.54 2kuq h GLU 95 Cb 1.53 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 2kuq h GLU 95 CO -0.31 0.54 -0.84 0.93 -0.73 0.00 0.00 179.01 178.61 2kuq h GLU 96 N 0.54 0.24 -0.10 1.92 5.08 -1.43 -0.61 114.58 120.21 2kuq h GLU 96 Ca 0.12 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2kuq h GLU 96 Cb 0.27 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2kuq h GLU 96 CO 0.00 0.95 0.03 0.82 -1.00 0.00 0.00 179.01 179.81 2kuq h ILE 97 N 0.14 1.17 -0.37 3.13 2.04 -1.28 -0.69 117.51 121.64 2kuq h ILE 97 Ca -0.04 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 2kuq h ILE 97 Cb 1.45 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 2kuq h ILE 97 CO 0.13 0.15 0.23 0.15 0.00 0.00 0.00 178.15 178.81 2kuq h PHE 98 N -0.01 0.49 -0.28 1.37 3.57 -1.24 -0.07 116.94 120.77 2kuq h PHE 98 Ca 0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2kuq h PHE 98 Cb 0.20 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2kuq h PHE 98 CO -0.01 0.34 0.12 -0.91 -2.23 0.00 0.00 178.31 175.63 2kuq h ASN 99 N 0.49 0.38 -0.70 0.41 2.35 -1.08 -2.00 115.58 115.43 2kuq h ASN 99 Ca 0.13 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2kuq h ASN 99 Cb -0.01 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2kuq h ASN 99 CO -0.03 0.41 0.22 0.25 -1.65 0.00 0.00 177.43 176.64 2kuq h LEU 100 N 0.31 1.03 0.27 1.61 5.85 -1.01 -1.35 115.31 122.01 2kuq h LEU 100 Ca 0.09 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2kuq h LEU 100 Cb 0.15 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 2kuq h LEU 100 CO -0.01 0.95 -0.17 0.25 -0.34 0.00 0.00 178.44 179.13 2kuq h LEU 101 N 1.06 -0.41 -1.23 2.25 5.85 -0.84 -0.59 115.31 121.39 2kuq h LEU 101 Ca 0.23 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 2kuq h LEU 101 Cb 0.29 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2kuq h LEU 101 CO -0.01 -0.27 -0.14 0.06 -0.34 0.00 0.00 178.44 177.75 2kuq h GLN 102 N -0.42 0.37 -0.43 1.25 3.07 -1.25 -1.34 115.11 116.36 2kuq h GLN 102 Ca -0.03 -0.10 -0.10 0.00 0.09 0.00 0.00 58.65 58.52 2kuq h GLN 102 Cb 0.35 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.85 2kuq h GLN 102 CO 0.03 0.50 -0.11 -0.44 0.09 0.00 0.00 178.83 178.91 2kuq h ASP 103 N 0.34 0.83 1.04 0.06 3.32 -1.03 -0.38 116.42 120.60 2kuq h ASP 103 Ca 0.07 -0.36 -0.09 0.00 0.02 0.00 0.00 57.03 56.67 2kuq h ASP 103 Cb 0.45 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2kuq h ASP 103 CO 0.03 1.00 -0.41 -0.07 -1.72 0.00 0.00 179.24 178.07 2kuq h LEU 104 N 0.65 0.00 0.00 1.55 3.38 -0.95 -1.15 115.31 118.79 2kuq h LEU 104 Ca 0.11 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 2kuq h LEU 104 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2kuq h LEU 104 CO 0.04 0.41 -0.60 0.24 0.09 0.00 0.00 178.44 178.62 2kuq h MET 105 N 0.00 0.00 0.00 1.13 2.86 -1.09 -3.35 114.93 114.48 2kuq h MET 105 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kuq h MET 105 Cb 1.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.70 2kuq h MET 105 CO 0.05 0.56 -1.52 0.00 1.06 0.00 0.00 176.91 177.07 2kuq n GLN 106 N -3.23 0.53 -3.98 1.72 -0.00 -0.17 -4.76 117.38 107.49 2kuq n GLN 106 Ca 0.01 -0.07 -0.31 0.00 -0.00 0.00 0.00 57.00 56.63 2kuq n GLN 106 Cb 0.77 -1.60 -0.15 0.00 -0.00 0.00 0.00 30.24 29.26 2kuq n GLN 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kuq n ASN 108 N 3.79 5.01 -0.60 0.00 5.15 -1.26 -4.66 115.26 122.68 2kuq n ASN 108 Ca 0.04 -3.74 -0.07 0.00 -0.60 0.00 0.00 54.58 50.21 2kuq n ASN 108 Cb 0.38 -0.44 -0.03 0.00 -0.53 0.00 0.00 39.78 39.16 2kuq n ASN 108 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2kuq n SER 109 N -0.60 -3.76 -4.33 1.20 2.88 -1.26 -5.03 113.62 102.72 2kuq n SER 109 Ca 0.43 0.16 -0.32 0.00 -1.33 0.00 0.00 58.87 57.81 2kuq n SER 109 Cb 0.78 -2.04 -0.15 0.00 -0.75 0.00 0.00 64.21 62.04 2kuq n SER 109 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kuq s ILE 110 N -2.29 2.32 -1.17 2.46 -1.09 -1.26 -5.05 121.20 115.12 2kuq s ILE 110 Ca 0.00 -0.98 0.26 0.00 -2.23 0.00 0.00 60.65 57.69 2kuq s ILE 110 Cb 0.00 -1.86 0.31 0.00 -1.58 0.00 0.00 42.46 39.34 2kuq s ILE 110 CO 0.00 0.57 1.85 0.59 -1.23 0.00 0.00 174.94 176.73 2kuq n ASN 111 N 2.70 0.00 -3.76 3.58 3.02 -1.26 -4.81 115.26 114.73 2kuq n ASN 111 Ca -0.17 0.26 -0.13 0.00 -0.03 0.00 0.00 54.58 54.51 2kuq n ASN 111 Cb 0.52 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 2kuq n ASN 111 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2kuq s VAL 112 N -2.83 0.03 -1.66 2.41 -7.23 -1.26 -5.08 120.40 104.79 2kuq s VAL 112 Ca 0.17 -0.24 0.12 0.00 -1.81 0.00 0.00 61.98 60.23 2kuq s VAL 112 Cb 0.17 -0.54 0.41 0.00 0.56 0.00 0.00 36.38 36.98 2kuq s VAL 112 CO 0.44 -0.13 1.31 1.15 -0.31 0.00 0.00 175.10 177.55 2kuq n MET 113 N 2.08 2.33 -1.68 4.82 0.00 -1.26 -5.00 117.12 118.42 2kuq n MET 113 Ca -0.17 -1.66 -0.46 0.00 0.00 0.00 0.00 57.70 55.41 2kuq n MET 113 Cb 0.57 -1.49 -0.04 0.00 0.00 0.00 0.00 33.22 32.26 2kuq n MET 113 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2kuq n GLU 114 N 0.69 2.39 -3.47 3.17 0.28 -1.26 -4.97 120.64 117.47 2kuq n GLU 114 Ca 0.15 0.87 -0.12 0.00 -0.16 0.00 0.00 57.16 57.91 2kuq n GLU 114 Cb 0.48 -2.73 -0.03 0.00 1.43 0.00 0.00 31.44 30.58 2kuq n GLU 114 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2kuq s GLU 115 N 3.37 1.05 0.60 3.44 -1.05 -1.26 -5.18 118.70 119.68 2kuq s GLU 115 Ca 0.88 -0.24 -0.14 0.00 -0.15 0.00 0.00 54.97 55.31 2kuq s GLU 115 Cb -0.61 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 33.53 2kuq s GLU 115 CO 0.45 -0.43 1.04 -1.25 0.95 0.00 0.00 175.26 176.02 2kuq s PRO 116 N -2.90 3.38 -0.09 -4.83 0.04 -1.26 -5.08 135.00 124.27 2kuq s PRO 116 Ca -0.00 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.13 2kuq s PRO 116 Cb -0.01 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2kuq s PRO 116 CO -0.07 -0.75 -0.16 0.08 0.04 0.00 0.00 177.00 176.15 2kuq s VAL 117 N -2.67 1.44 -0.06 -0.36 1.01 -1.26 -5.13 120.40 113.38 2kuq s VAL 117 Ca 0.61 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 2kuq s VAL 117 Cb -0.14 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 34.97 2kuq s VAL 117 CO 0.41 0.42 0.01 -0.63 0.00 0.00 0.00 175.10 175.31 2kuq s ILE 118 N 0.69 0.29 -0.25 2.22 1.09 -1.26 -5.14 121.20 118.85 2kuq s ILE 118 Ca -0.13 0.15 -0.14 0.00 -1.10 0.00 0.00 60.65 59.42 2kuq s ILE 118 Cb -0.16 -0.45 -0.04 0.00 -1.06 0.00 0.00 42.46 40.75 2kuq s ILE 118 CO 0.03 0.23 0.35 -0.63 -0.10 0.00 0.00 174.94 174.82 2kuq s ILE 119 N 1.81 5.21 0.11 2.92 1.09 -1.26 -5.05 121.20 126.03 2kuq s ILE 119 Ca 0.02 0.54 -0.25 0.00 -1.10 0.00 0.00 60.65 59.86 2kuq s ILE 119 Cb -0.13 -3.67 0.08 0.00 -1.06 0.00 0.00 42.46 37.68 2kuq s ILE 119 CO -0.04 0.21 0.77 0.28 -0.10 0.00 0.00 174.94 176.06 2kuq s THR 120 N 1.71 0.00 0.00 2.92 -1.32 -1.26 -5.09 115.64 112.61 2kuq s THR 120 Ca 0.15 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 2kuq s THR 120 Cb -0.15 -1.21 0.00 0.00 -1.51 0.00 0.00 72.50 69.63 2kuq s THR 120 CO 0.09 0.00 0.66 -0.24 -2.21 0.00 0.00 174.62 172.92 2kuq n SER 121 N -0.34 -0.01 -0.14 8.08 2.88 -1.26 -4.97 113.62 117.86 2kuq n SER 121 Ca -0.11 -1.32 0.15 0.00 -1.33 0.00 0.00 58.87 56.26 2kuq n SER 121 Cb 0.63 -0.06 0.78 0.00 -0.75 0.00 0.00 64.21 64.81 2kuq n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kuq n GLY 122 N 0.00 -0.76 3.75 0.46 0.00 -1.26 -4.93 105.19 102.46 2kuq n GLY 122 Ca -0.00 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.10 6.60 0.10 1.61 0.01 -1.26 -5.03 113.70 113.63 2kuq s SER 123 Ca 0.42 2.73 -0.25 0.00 1.31 0.00 0.00 55.95 60.15 2kuq s SER 123 Cb 0.21 -2.63 0.08 0.00 0.21 0.00 0.00 66.02 63.89 2kuq s SER 123 CO 0.38 -0.73 0.77 -0.55 0.41 0.00 0.00 173.24 173.51 2kuq s SER 124 N 0.30 -0.42 0.00 2.44 0.15 -1.26 -5.17 113.70 109.74 2kuq s SER 124 Ca 0.59 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2kuq s SER 124 Cb -0.43 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2kuq s SER 124 CO 0.46 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2kuq n GLY 125 N -0.34 0.45 3.58 9.45 0.00 -1.26 -5.15 105.19 111.93 2kuq n GLY 125 Ca -0.11 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 2kuq n GLY 125 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kuq s SER 126 N -1.19 -0.40 -0.24 1.61 0.15 -1.26 -5.19 113.70 107.18 2kuq s SER 126 Ca 0.00 0.48 -0.20 0.00 0.70 0.00 0.00 55.95 56.93 2kuq s SER 126 Cb 0.00 0.38 0.07 0.00 -1.71 0.00 0.00 66.02 64.76 2kuq s SER 126 CO 0.00 -0.34 0.63 -0.44 1.20 0.00 0.00 173.24 174.29 2kuq s SER 127 N -0.97 -0.71 -1.23 5.45 0.01 -1.26 -5.10 113.70 109.89 2kuq s SER 127 Ca -0.02 1.30 -0.19 0.00 1.31 0.00 0.00 55.95 58.35 2kuq s SER 127 Cb -0.01 1.28 0.07 0.00 0.21 0.00 0.00 66.02 67.56 2kuq s SER 127 CO 0.01 -0.22 1.67 -0.83 0.41 0.00 0.00 173.24 174.28 2kuq s GLY 128 N 0.68 1.55 0.22 3.44 0.00 -1.26 -4.63 107.32 107.32 2kuq s GLY 128 Ca -0.03 -2.77 0.22 0.00 0.00 0.00 0.00 44.72 42.15 2kuq s GLY 128 CO -0.04 2.72 1.68 -1.14 0.00 0.00 0.00 173.10 176.31 2kuq n SER 129 N 8.51 0.58 -3.70 1.64 3.41 -1.26 -4.86 113.62 117.94 2kuq n SER 129 Ca 0.45 0.64 -0.05 0.00 -0.26 0.00 0.00 58.87 59.65 2kuq n SER 129 Cb 0.47 -0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 2kuq n SER 129 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2kuq s SER 130 N -4.08 -0.24 0.12 4.04 1.04 -1.26 -5.12 113.70 108.20 2kuq s SER 130 Ca 0.05 -0.32 -0.26 0.00 0.48 0.00 0.00 55.95 55.90 2kuq s SER 130 Cb 0.09 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.77 2kuq s SER 130 CO 0.38 -0.88 0.91 -0.83 0.98 0.00 0.00 173.24 173.80 2kuq s GLY 131 N -2.84 -0.30 0.10 7.32 0.00 -1.26 -4.68 107.32 105.66 2kuq s GLY 131 Ca 0.10 0.33 -0.26 0.00 0.00 0.00 0.00 44.72 44.89 2kuq s GLY 131 CO -0.00 0.08 0.96 -1.35 0.00 0.00 0.00 173.10 172.79 2kuq s SER 132 N -2.82 -0.22 0.49 1.64 1.04 -1.26 -5.07 113.70 107.49 2kuq s SER 132 Ca 0.10 -0.27 -0.18 0.00 0.48 0.00 0.00 55.95 56.07 2kuq s SER 132 Cb -0.02 0.44 -0.09 0.00 0.10 0.00 0.00 66.02 66.46 2kuq s SER 132 CO -0.01 -0.78 0.98 -0.94 0.98 0.00 0.00 173.24 173.47 2kuq s SER 133 N -2.81 6.66 0.00 7.02 1.04 -1.26 -4.89 113.70 119.46 2kuq s SER 133 Ca 0.10 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.18 2kuq s SER 133 Cb -0.01 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2kuq s SER 133 CO -0.01 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2kuq n GLY 134 N -1.15 0.24 3.61 7.32 0.00 -1.26 -5.11 105.19 108.85 2kuq n GLY 134 Ca 0.07 -1.38 -0.47 0.00 0.00 0.00 0.00 46.02 44.24 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 2.13 -4.66 0.99 4.77 -1.26 -4.92 117.00 114.05 2kuq n LEU 135 Ca 0.00 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.70 2kuq n LEU 135 Cb 0.00 -1.30 -0.02 0.00 -2.33 0.00 0.00 43.42 39.77 2kuq n LEU 135 CO 0.00 -1.03 0.96 0.12 -1.33 0.00 0.00 177.39 176.11 2kuq s PHE 136 N -0.28 3.22 -0.12 -1.77 5.36 -1.26 -5.01 117.98 118.12 2kuq s PHE 136 Ca 0.69 1.35 -0.30 0.00 -0.96 0.00 0.00 56.93 57.72 2kuq s PHE 136 Cb -0.76 -3.35 -0.02 0.00 -0.34 0.00 0.00 43.02 38.55 2kuq s PHE 136 CO 0.53 -0.77 1.20 1.03 -1.46 0.00 0.00 175.22 175.75 2kuq s ARG 137 N 3.30 4.30 0.22 10.12 3.00 -1.26 -4.72 118.95 133.90 2kuq s ARG 137 Ca 0.46 1.63 -0.13 0.00 0.00 0.00 0.00 55.73 57.69 2kuq s ARG 137 Cb -0.16 -3.65 -0.08 0.00 0.00 0.00 0.00 34.95 31.06 2kuq s ARG 137 CO 0.08 -0.57 0.61 -0.51 0.00 0.00 0.00 175.30 174.92 2kuq s LEU 138 N 2.83 4.22 0.02 2.53 1.43 0.14 -4.95 118.68 124.91 2kuq s LEU 138 Ca 0.54 1.11 0.14 0.00 -1.03 0.00 0.00 54.13 54.88 2kuq s LEU 138 Cb -0.22 -3.62 -0.18 0.00 0.03 0.00 0.00 46.19 42.20 2kuq s LEU 138 CO 0.17 -0.03 0.82 0.03 0.23 0.00 0.00 176.35 177.57 2kuq h ARG 139 N 2.92 0.00 -5.52 1.70 3.08 -1.96 -3.33 114.38 111.28 2kuq h ARG 139 Ca -0.48 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.13 2kuq h ARG 139 Cb 1.18 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.09 2kuq h ARG 139 CO 0.67 0.47 -0.73 -1.01 -1.07 0.00 0.00 179.97 178.30 2kuq s HIS 140 N -2.74 1.70 -0.30 3.04 3.76 -1.26 -5.06 115.29 114.44 2kuq s HIS 140 Ca -0.03 -0.60 -0.15 0.00 -0.15 0.00 0.00 55.06 54.13 2kuq s HIS 140 Cb 0.08 -0.82 -0.03 0.00 1.11 0.00 0.00 32.58 32.93 2kuq s HIS 140 CO 0.82 0.33 0.36 0.12 -0.85 0.00 0.00 174.74 175.51 2kuq s PHE 141 N -3.01 3.23 -0.21 1.40 5.36 -1.26 -4.99 117.98 118.50 2kuq s PHE 141 Ca 0.23 0.24 0.21 0.00 -0.96 0.00 0.00 56.93 56.65 2kuq s PHE 141 Cb 0.00 -2.61 -0.01 0.00 -0.34 0.00 0.00 43.02 40.06 2kuq s PHE 141 CO 0.07 -0.30 1.03 -1.00 -1.46 0.00 0.00 175.22 173.56 2kuq h PRO 142 N 8.30 0.00 -6.60 10.12 0.13 -1.97 -3.47 132.00 138.51 2kuq h PRO 142 Ca -0.31 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.30 2kuq h PRO 142 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2kuq h PRO 142 CO 0.66 0.09 0.23 0.00 -0.23 0.00 0.00 178.00 178.75 2kuq h GLY 144 N 4.22 0.00 -5.43 0.00 0.00 -1.92 -3.44 103.07 96.49 2kuq h GLY 144 Ca -0.47 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.22 2kuq h GLY 144 CO 0.66 0.00 -0.38 -1.31 0.00 0.00 0.00 176.54 175.51 2kuq s ASN 145 N -6.35 6.54 -0.03 0.19 0.01 -1.13 -5.03 114.94 109.14 2kuq s ASN 145 Ca 0.04 0.64 -0.01 0.00 -0.71 0.00 0.00 52.86 52.82 2kuq s ASN 145 Cb 0.07 -2.13 0.03 0.00 0.41 0.00 0.00 41.25 39.63 2kuq s ASN 145 CO 0.71 0.37 0.07 -0.69 -1.51 0.00 0.00 177.10 176.05 2kuq s VAL 146 N -1.01 -0.05 0.09 1.60 1.01 -1.26 -2.90 120.40 117.88 2kuq s VAL 146 Ca 0.18 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.41 2kuq s VAL 146 Cb -0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2kuq s VAL 146 CO 0.07 0.08 -0.04 0.20 0.00 0.00 0.00 175.10 175.41 2kuq s ASN 147 N 1.05 4.80 -0.16 3.32 -0.87 0.19 -5.00 114.94 118.26 2kuq s ASN 147 Ca -0.09 -0.25 -0.10 0.00 -1.57 0.00 0.00 52.86 50.85 2kuq s ASN 147 Cb -0.12 -1.07 -0.05 0.00 -0.02 0.00 0.00 41.25 40.00 2kuq s ASN 147 CO -0.04 0.18 0.18 -0.31 -2.57 0.00 0.00 177.10 174.54 2kuq s TYR 148 N -1.27 3.48 0.00 2.20 2.02 -1.26 -1.73 117.35 120.79 2kuq s TYR 148 Ca 0.24 0.46 0.00 0.00 -0.37 0.00 0.00 57.07 57.40 2kuq s TYR 148 Cb -0.11 -2.15 0.00 0.00 -0.40 0.00 0.00 41.96 39.30 2kuq s TYR 148 CO 0.16 0.41 0.00 0.41 -1.57 0.00 0.00 175.55 174.96 2kuq n GLY 149 N 3.03 0.71 3.76 0.71 0.00 -0.37 -4.95 105.19 108.08 2kuq n GLY 149 Ca -0.16 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 2.20 2.73 -0.00 1.61 1.51 -1.16 -5.00 117.35 119.25 2kuq s TYR 150 Ca 0.00 1.42 -0.07 0.00 -1.01 0.00 0.00 57.07 57.41 2kuq s TYR 150 Cb 0.00 -3.65 0.00 0.00 -0.11 0.00 0.00 41.96 38.21 2kuq s TYR 150 CO 0.00 -2.14 0.14 -1.14 -1.11 0.00 0.00 175.55 171.30 2kuq s GLN 151 N -2.44 0.46 -0.08 -0.62 0.74 -1.26 -4.72 119.66 111.74 2kuq s GLN 151 Ca 0.61 -0.35 -0.22 0.00 0.05 0.00 0.00 55.36 55.45 2kuq s GLN 151 Cb -0.37 0.19 0.05 0.00 1.10 0.00 0.00 33.01 33.98 2kuq s GLN 151 CO 0.46 -0.11 0.51 1.14 -0.55 0.00 0.00 175.29 176.75 2kuq s GLN 152 N -1.27 0.80 0.00 1.67 -2.07 -1.26 -5.22 119.66 112.31 2kuq s GLN 152 Ca -0.14 0.24 0.29 0.00 -1.82 0.00 0.00 55.36 53.93 2kuq s GLN 152 Cb -0.07 0.37 1.71 0.00 -1.09 0.00 0.00 33.01 33.93 2kuq s GLN 152 CO 0.01 -0.21 2.05 1.04 -1.32 0.00 0.00 175.29 176.87