#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 0.97 0.06 1.61 0.01 -1.26 -5.12 113.70 109.98 2kuq s SER 2 Ca 0.00 -1.51 -0.16 0.00 1.31 0.00 0.00 55.95 55.60 2kuq s SER 2 Cb 0.00 0.64 0.03 0.00 0.21 0.00 0.00 66.02 66.90 2kuq s SER 2 CO 0.00 -1.25 0.36 -0.94 0.41 0.00 0.00 173.24 171.82 2kuq s SER 3 N -3.25 -0.20 0.17 2.44 1.04 -1.26 -5.19 113.70 107.46 2kuq s SER 3 Ca 0.32 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.62 2kuq s SER 3 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 2kuq s SER 3 CO 0.21 -0.68 0.06 0.61 0.98 0.00 0.00 173.24 174.43 2kuq n GLY 4 N 0.41 3.73 0.23 7.32 0.00 -1.26 -5.09 105.19 110.53 2kuq n GLY 4 Ca -0.18 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 2kuq n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kuq h SER 5 N 0.69 0.84 0.00 1.61 0.02 -2.03 -3.47 113.55 111.21 2kuq h SER 5 Ca -0.13 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2kuq h SER 5 Cb 0.51 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2kuq h SER 5 CO 0.21 1.14 0.00 -1.54 -1.14 0.00 0.00 176.83 175.50 2kuq n SER 6 N -4.19 0.00 -4.58 3.07 3.41 -1.26 -4.80 113.62 105.27 2kuq n SER 6 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.15 2kuq n SER 6 Cb 0.50 -1.43 -0.00 0.00 -0.26 0.00 0.00 64.21 63.02 2kuq n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2kuq s GLY 7 N -1.47 1.58 0.30 5.00 0.00 -1.26 -4.76 107.32 106.70 2kuq s GLY 7 Ca 0.00 -2.87 0.05 0.00 0.00 0.00 0.00 44.72 41.90 2kuq s GLY 7 CO 0.00 2.75 1.72 -2.00 0.00 0.00 0.00 173.10 175.57 2kuq h LEU 8 N 12.72 0.33 -9.56 0.66 5.85 -2.05 -3.43 115.31 119.84 2kuq h LEU 8 Ca 0.43 -0.12 -0.52 0.00 0.84 0.00 0.00 57.88 58.51 2kuq h LEU 8 Cb 0.88 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2kuq h LEU 8 CO 1.45 0.65 0.38 0.21 -0.34 0.00 0.00 178.44 180.80 2kuq s ASN 9 N -6.86 7.45 0.14 1.25 2.47 -1.26 -5.04 114.94 113.09 2kuq s ASN 9 Ca -0.05 1.82 -0.31 0.00 0.42 0.00 0.00 52.86 54.73 2kuq s ASN 9 Cb 0.14 -2.59 -0.09 0.00 -1.45 0.00 0.00 41.25 37.26 2kuq s ASN 9 CO 0.78 -0.11 1.46 -0.60 -3.72 0.00 0.00 177.10 174.90 2kuq s ARG 10 N 0.09 4.28 0.03 0.43 6.06 -1.26 -5.03 118.95 123.54 2kuq s ARG 10 Ca 0.48 2.20 -0.04 0.00 -2.50 0.00 0.00 55.73 55.86 2kuq s ARG 10 Cb -0.24 -3.21 -0.01 0.00 0.06 0.00 0.00 34.95 31.55 2kuq s ARG 10 CO 0.30 -0.50 0.07 0.34 -2.50 0.00 0.00 175.30 173.01 2kuq s ASP 11 N 1.09 0.18 0.14 -2.12 -1.08 -1.26 -5.07 116.67 108.56 2kuq s ASP 11 Ca 0.67 -0.49 0.22 0.00 -0.52 0.00 0.00 52.55 52.43 2kuq s ASP 11 Cb -0.40 0.20 0.89 0.00 -1.46 0.00 0.00 42.92 42.14 2kuq s ASP 11 CO 0.31 -0.45 1.69 -0.24 0.52 0.00 0.00 175.17 177.00 2kuq n SER 12 N 1.03 0.42 -4.25 -0.34 2.88 -1.26 -4.59 113.62 107.50 2kuq n SER 12 Ca -0.20 0.58 -0.35 0.00 -1.33 0.00 0.00 58.87 57.57 2kuq n SER 12 Cb 0.57 -0.68 -0.14 0.00 -0.75 0.00 0.00 64.21 63.21 2kuq n SER 12 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2kuq s VAL 13 N -3.14 3.00 0.37 2.46 1.01 -1.26 -5.12 120.40 117.72 2kuq s VAL 13 Ca 0.08 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 2kuq s VAL 13 Cb 0.11 -2.40 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 2kuq s VAL 13 CO 0.42 0.38 1.20 -2.16 0.00 0.00 0.00 175.10 174.94 2kuq s PRO 14 N 1.40 4.18 0.00 2.72 0.04 -1.26 -4.94 135.00 137.14 2kuq s PRO 14 Ca 0.04 1.95 0.16 0.00 0.04 0.00 0.00 61.00 63.19 2kuq s PRO 14 Cb -0.15 -2.83 0.84 0.00 0.04 0.00 0.00 34.50 32.41 2kuq s PRO 14 CO -0.05 -0.25 1.46 -0.25 0.04 0.00 0.00 177.00 177.95 2kuq n ASP 15 N 0.36 0.00 -0.20 6.66 8.00 -1.26 -2.51 116.55 127.60 2kuq n ASP 15 Ca 0.03 -0.03 0.06 0.00 0.71 0.00 0.00 54.79 55.56 2kuq n ASP 15 Cb 0.45 -0.25 0.09 0.00 -0.02 0.00 0.00 41.12 41.39 2kuq n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2kuq n ASN 16 N -1.25 1.56 -4.61 -2.24 6.94 -1.26 -4.91 115.26 109.50 2kuq n ASN 16 Ca 0.08 -2.67 -0.60 0.00 -0.02 0.00 0.00 54.58 51.38 2kuq n ASN 16 Cb 0.12 -0.33 -0.08 0.00 -2.36 0.00 0.00 39.78 37.13 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 -0.93 1.25 0.21 -2.53 -0.00 -1.05 -4.90 115.22 107.28 2kuq n HIS 17 Ca 0.10 0.96 0.10 0.00 0.46 0.00 0.00 57.72 59.34 2kuq n HIS 17 Cb 0.64 -2.21 0.27 0.00 -0.12 0.00 0.00 29.99 28.57 2kuq n HIS 17 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2kuq h PRO 18 N 4.27 0.00 0.00 1.57 0.13 -1.99 -3.39 132.00 132.59 2kuq h PRO 18 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kuq h PRO 18 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2kuq h PRO 18 CO 0.80 0.18 -0.04 0.25 -0.23 0.00 0.00 178.00 178.95 2kuq n THR 19 N -3.19 0.00 -4.92 1.56 -2.24 -1.26 -4.94 114.28 99.29 2kuq n THR 19 Ca 0.02 -0.17 -0.28 0.00 -2.27 0.00 0.00 64.05 61.35 2kuq n THR 19 Cb 0.53 0.91 -0.17 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.43 2.24 -0.05 -0.78 2.47 -1.26 -2.79 119.74 119.13 2kuq s LYS 20 Ca 0.00 -0.66 -0.02 0.00 -1.56 0.00 0.00 55.97 53.73 2kuq s LYS 20 Cb 0.00 -1.80 0.04 0.00 -1.46 0.00 0.00 37.83 34.60 2kuq s LYS 20 CO 0.00 0.17 0.11 -0.06 0.16 0.00 0.00 175.35 175.73 2kuq s PHE 21 N 0.31 -0.09 0.13 4.03 0.08 -0.09 -4.69 117.98 117.66 2kuq s PHE 21 Ca -0.12 0.39 -0.31 0.00 0.12 0.00 0.00 56.93 57.01 2kuq s PHE 21 Cb -0.15 -0.20 -0.08 0.00 -0.57 0.00 0.00 43.02 42.02 2kuq s PHE 21 CO 0.05 -0.17 1.37 0.15 -0.10 0.00 0.00 175.22 176.52 2kuq s LYS 22 N 1.47 4.33 0.06 0.44 3.01 -1.26 -0.44 119.74 127.35 2kuq s LYS 22 Ca -0.05 2.07 0.02 0.00 -1.01 0.00 0.00 55.97 57.00 2kuq s LYS 22 Cb -0.12 -3.24 -0.03 0.00 -1.01 0.00 0.00 37.83 33.43 2kuq s LYS 22 CO -0.05 -0.40 -0.08 0.14 0.51 0.00 0.00 175.35 175.46 2kuq s VAL 23 N 0.94 0.64 -0.14 3.17 -7.23 -0.16 -4.90 120.40 112.72 2kuq s VAL 23 Ca 0.63 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 2kuq s VAL 23 Cb -0.37 -0.89 0.03 0.00 0.56 0.00 0.00 36.38 35.71 2kuq s VAL 23 CO 0.32 -0.47 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.64 2kuq s THR 24 N -1.84 1.35 0.36 5.32 2.01 -1.19 -1.05 115.64 120.60 2kuq s THR 24 Ca -0.04 -0.56 -0.27 0.00 0.31 0.00 0.00 61.69 61.13 2kuq s THR 24 Cb -0.07 -1.34 -0.09 0.00 0.01 0.00 0.00 72.50 71.01 2kuq s THR 24 CO -0.00 0.36 1.14 0.21 -0.69 0.00 0.00 174.62 175.63 2kuq s ASN 25 N 1.57 6.81 0.02 3.53 3.84 -0.17 -0.71 114.94 129.83 2kuq s ASN 25 Ca 0.04 2.29 -0.03 0.00 0.21 0.00 0.00 52.86 55.37 2kuq s ASN 25 Cb -0.13 -2.62 -0.02 0.00 -0.55 0.00 0.00 41.25 37.94 2kuq s ASN 25 CO -0.09 -0.47 0.03 0.68 -2.79 0.00 0.00 177.10 174.46 2kuq s VAL 26 N -1.36 0.12 1.18 -5.21 -7.23 -1.10 -1.94 120.40 104.85 2kuq s VAL 26 Ca 0.53 -0.97 -0.20 0.00 -1.81 0.00 0.00 61.98 59.52 2kuq s VAL 26 Cb -0.30 -0.53 0.29 0.00 0.56 0.00 0.00 36.38 36.40 2kuq s VAL 26 CO 0.38 -0.54 1.05 0.47 -0.31 0.00 0.00 175.10 176.16 2kuq n ASP 27 N 1.27 -2.05 0.21 4.85 9.92 -1.23 -4.65 116.55 124.88 2kuq n ASP 27 Ca -0.22 -1.14 0.15 0.00 -0.53 0.00 0.00 54.79 53.05 2kuq n ASP 27 Cb 0.56 -0.96 0.76 0.00 -0.64 0.00 0.00 41.12 40.83 2kuq n ASP 27 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 2kuq h ASP 28 N -2.66 0.00 0.07 -2.24 2.03 -1.95 -1.61 116.42 110.06 2kuq h ASP 28 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 2kuq h ASP 28 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2kuq h ASP 28 CO 0.26 0.00 -0.15 -0.62 -1.03 0.00 0.00 179.24 177.70 2kuq n GLU 29 N -2.54 1.42 -1.09 4.15 1.02 -1.26 -4.98 120.64 117.36 2kuq n GLU 29 Ca -0.01 -0.95 -0.03 0.00 -0.02 0.00 0.00 57.16 56.15 2kuq n GLU 29 Cb 0.09 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.02 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 1.29 0.61 3.73 0.62 0.00 -0.61 -5.02 105.19 105.81 2kuq n GLY 30 Ca 0.15 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.10 4.87 -0.16 1.61 1.01 -1.26 -4.87 120.40 119.49 2kuq s VAL 31 Ca 0.00 1.58 -0.29 0.00 0.00 0.00 0.00 61.98 63.27 2kuq s VAL 31 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2kuq s VAL 31 CO 0.00 0.31 1.80 -1.61 0.00 0.00 0.00 175.10 175.60 2kuq s GLU 32 N 0.35 3.75 -0.19 2.72 2.02 -1.26 -3.51 118.70 122.57 2kuq s GLU 32 Ca 0.39 1.94 -0.15 0.00 0.02 0.00 0.00 54.97 57.17 2kuq s GLU 32 Cb -0.19 -4.12 -0.09 0.00 0.10 0.00 0.00 34.13 29.82 2kuq s GLU 32 CO 0.21 -1.37 -0.19 1.28 0.02 0.00 0.00 175.26 175.22 2kuq n LEU 33 N 8.85 1.89 -3.58 1.80 4.77 -0.82 -5.04 117.00 124.87 2kuq n LEU 33 Ca 0.21 0.45 -0.07 0.00 -0.03 0.00 0.00 56.01 56.57 2kuq n LEU 33 Cb 0.44 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 2kuq n LEU 33 CO 0.65 -0.06 0.71 -0.83 -1.33 0.00 0.00 177.39 176.53 2kuq s GLY 34 N -4.80 -0.40 0.11 -0.72 0.00 -1.25 -5.04 107.32 95.22 2kuq s GLY 34 Ca -0.26 0.77 0.08 0.00 0.00 0.00 0.00 44.72 45.31 2kuq s GLY 34 CO 0.41 0.24 -0.20 -0.56 0.00 0.00 0.00 173.10 172.99 2kuq s SER 35 N -2.61 2.49 0.34 1.64 0.01 -1.26 -1.00 113.70 113.32 2kuq s SER 35 Ca 0.07 -0.71 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 2kuq s SER 35 Cb -0.01 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.09 2kuq s SER 35 CO -0.06 0.03 0.47 0.61 0.41 0.00 0.00 173.24 174.71 2kuq n GLY 36 N 0.97 2.15 3.17 3.44 0.00 -0.21 -4.54 105.19 110.17 2kuq n GLY 36 Ca -0.19 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 2kuq n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kuq s VAL 37 N -2.82 2.91 0.18 1.61 1.01 -0.09 -0.99 120.40 122.22 2kuq s VAL 37 Ca 0.29 -1.31 -0.23 0.00 0.00 0.00 0.00 61.98 60.73 2kuq s VAL 37 Cb -0.01 -2.63 -0.08 0.00 0.00 0.00 0.00 36.38 33.67 2kuq s VAL 37 CO 0.21 -0.03 0.74 -0.32 0.00 0.00 0.00 175.10 175.71 2kuq s MET 38 N 1.26 4.42 -0.07 2.72 0.00 0.42 -1.08 119.30 126.97 2kuq s MET 38 Ca -0.04 1.02 -0.03 0.00 0.00 0.00 0.00 55.69 56.64 2kuq s MET 38 Cb -0.19 -3.10 0.04 0.00 0.00 0.00 0.00 34.83 31.58 2kuq s MET 38 CO -0.02 0.50 0.15 -2.00 0.00 0.00 0.00 175.02 173.65 2kuq s GLU 39 N -1.49 0.10 -0.14 4.11 2.12 0.16 -0.91 118.70 122.65 2kuq s GLU 39 Ca 0.38 0.39 -0.01 0.00 0.36 0.00 0.00 54.97 56.09 2kuq s GLU 39 Cb -0.20 -0.18 -0.02 0.00 0.26 0.00 0.00 34.13 33.99 2kuq s GLU 39 CO 0.23 -0.17 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.18 2kuq s LEU 40 N 1.22 2.90 0.45 2.70 1.02 -1.12 -0.25 118.68 125.60 2kuq s LEU 40 Ca -0.09 -0.26 0.04 0.00 0.02 0.00 0.00 54.13 53.84 2kuq s LEU 40 Cb -0.12 -1.67 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 2kuq s LEU 40 CO -0.06 0.17 0.02 0.42 0.02 0.00 0.00 176.35 176.91 2kuq s THR 41 N 0.34 1.46 -1.99 5.49 -4.23 -0.94 -4.94 115.64 110.83 2kuq s THR 41 Ca -0.09 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.60 2kuq s THR 41 Cb -0.15 -2.55 0.49 0.00 1.34 0.00 0.00 72.50 71.63 2kuq s THR 41 CO 0.05 0.00 1.43 0.00 -0.54 0.00 0.00 174.62 175.56 2kuq n GLN 42 N -1.08 0.54 0.00 3.99 3.00 -1.26 -3.87 117.38 118.69 2kuq n GLN 42 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 2kuq n GLN 42 Cb 0.67 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.41 2kuq n GLN 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2kuq n SER 43 N -1.00 3.79 -3.73 1.08 7.64 -1.26 -4.66 113.62 115.48 2kuq n SER 43 Ca 0.13 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.97 2kuq n SER 43 Cb 0.06 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.99 1.16 -0.02 1.43 1.03 -1.25 -4.34 118.70 114.72 2kuq s GLU 44 Ca 0.00 -0.63 -0.29 0.00 0.03 0.00 0.00 54.97 54.09 2kuq s GLU 44 Cb 0.00 0.41 -0.03 0.00 -0.80 0.00 0.00 34.13 33.71 2kuq s GLU 44 CO 0.00 -0.53 0.94 -1.17 -1.33 0.00 0.00 175.26 173.17 2kuq s LEU 45 N -2.90 4.35 0.05 1.83 0.20 -0.52 -2.21 118.68 119.48 2kuq s LEU 45 Ca 0.11 1.57 0.08 0.00 0.69 0.00 0.00 54.13 56.58 2kuq s LEU 45 Cb -0.01 -3.49 -0.03 0.00 -0.43 0.00 0.00 46.19 42.23 2kuq s LEU 45 CO 0.01 -0.26 -0.23 -0.69 -0.29 0.00 0.00 176.35 174.89 2kuq s VAL 46 N 1.09 1.84 -0.08 1.68 1.01 0.65 -0.97 120.40 125.62 2kuq s VAL 46 Ca 0.49 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 2kuq s VAL 46 Cb -0.20 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.62 2kuq s VAL 46 CO 0.25 0.25 0.05 -0.22 0.00 0.00 0.00 175.10 175.44 2kuq s LEU 47 N -1.23 0.36 -0.13 3.92 0.20 -0.02 -0.67 118.68 121.11 2kuq s LEU 47 Ca 0.09 -0.16 -0.17 0.00 0.69 0.00 0.00 54.13 54.58 2kuq s LEU 47 Cb -0.09 -0.26 -0.04 0.00 -0.43 0.00 0.00 46.19 45.36 2kuq s LEU 47 CO 0.02 -0.26 0.44 -1.00 -0.29 0.00 0.00 176.35 175.26 2kuq s HIS 48 N 2.10 3.50 -0.07 5.38 3.76 -0.24 -0.64 115.29 129.07 2kuq s HIS 48 Ca 0.04 0.82 0.01 0.00 -0.15 0.00 0.00 55.06 55.79 2kuq s HIS 48 Cb -0.13 -2.51 0.02 0.00 1.11 0.00 0.00 32.58 31.06 2kuq s HIS 48 CO -0.05 0.17 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.40 2kuq s LEU 49 N 0.63 1.49 0.27 0.89 1.43 -1.26 -0.91 118.68 121.23 2kuq s LEU 49 Ca 0.24 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 2kuq s LEU 49 Cb -0.15 -0.78 -0.10 0.00 0.03 0.00 0.00 46.19 45.19 2kuq s LEU 49 CO 0.09 -0.01 1.45 -1.00 0.23 0.00 0.00 176.35 177.11 2kuq s HIS 50 N 0.95 2.95 -1.93 0.29 3.76 -1.26 -2.71 115.29 117.33 2kuq s HIS 50 Ca -0.09 1.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.85 2kuq s HIS 50 Cb -0.15 -3.86 0.00 0.00 1.11 0.00 0.00 32.58 29.68 2kuq s HIS 50 CO 0.00 -2.75 0.00 0.54 -0.85 0.00 0.00 174.74 171.68 2kuq n ARG 51 N 2.05 -1.40 -4.14 1.40 3.00 -1.26 -4.98 116.66 111.32 2kuq n ARG 51 Ca 0.06 1.11 -0.11 0.00 -0.01 0.00 0.00 57.85 58.90 2kuq n ARG 51 Cb 0.40 -5.51 -0.09 0.00 0.00 0.00 0.00 32.46 27.26 2kuq n ARG 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2kuq s ARG 52 N -4.04 1.22 0.58 5.56 0.52 -1.10 -5.17 118.95 116.52 2kuq s ARG 52 Ca 0.00 -1.51 -0.15 0.00 -0.52 0.00 0.00 55.73 53.56 2kuq s ARG 52 Cb 0.00 0.31 -0.05 0.00 0.52 0.00 0.00 34.95 35.73 2kuq s ARG 52 CO 0.00 -0.42 1.03 -1.21 0.02 0.00 0.00 175.30 174.72 2kuq s GLU 53 N -4.11 3.55 0.61 3.54 2.02 -1.26 -4.67 118.70 118.38 2kuq s GLU 53 Ca 0.33 1.01 -0.17 0.00 0.02 0.00 0.00 54.97 56.15 2kuq s GLU 53 Cb 0.05 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.19 2kuq s GLU 53 CO 0.09 -0.61 1.14 0.00 0.02 0.00 0.00 175.26 175.90 2kuq s ALA 54 N -2.71 2.54 -0.14 5.21 0.00 -1.26 -4.51 121.76 120.89 2kuq s ALA 54 Ca 0.60 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.31 2kuq s ALA 54 Cb -0.13 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.64 2kuq s ALA 54 CO 0.40 -1.10 -0.21 0.08 0.00 0.00 0.00 175.76 174.93 2kuq s VAL 55 N -2.00 2.12 -0.02 0.00 1.01 0.19 -4.97 120.40 116.72 2kuq s VAL 55 Ca 0.71 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.79 2kuq s VAL 55 Cb -0.24 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2kuq s VAL 55 CO 0.35 0.55 -0.19 -0.13 0.00 0.00 0.00 175.10 175.67 2kuq s ARG 56 N 0.84 2.29 -0.23 2.72 0.52 -1.26 -0.84 118.95 122.99 2kuq s ARG 56 Ca -0.06 -0.82 -0.02 0.00 -0.52 0.00 0.00 55.73 54.30 2kuq s ARG 56 Cb -0.15 -2.23 0.07 0.00 0.52 0.00 0.00 34.95 33.16 2kuq s ARG 56 CO -0.02 0.59 0.04 -1.58 0.02 0.00 0.00 175.30 174.35 2kuq s TRP 57 N -0.72 1.35 0.37 -0.53 0.51 -0.14 -4.27 118.94 115.51 2kuq s TRP 57 Ca 0.11 -1.19 -0.27 0.00 -2.12 0.00 0.00 56.10 52.64 2kuq s TRP 57 Cb -0.10 -1.26 -0.09 0.00 -0.81 0.00 0.00 33.47 31.20 2kuq s TRP 57 CO 0.01 -0.70 1.31 -1.25 -0.51 0.00 0.00 176.95 175.81 2kuq s PRO 58 N 1.75 4.13 0.54 4.98 0.04 -1.26 -1.44 135.00 143.74 2kuq s PRO 58 Ca 0.01 2.19 0.26 0.00 0.04 0.00 0.00 61.00 63.50 2kuq s PRO 58 Cb -0.17 -2.89 1.54 0.00 0.04 0.00 0.00 34.50 33.02 2kuq s PRO 58 CO -0.13 -0.37 2.15 1.88 0.04 0.00 0.00 177.00 180.57 2kuq h TYR 59 N 2.97 0.00 0.00 0.56 0.05 -1.94 -0.40 116.97 118.22 2kuq h TYR 59 Ca -0.49 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.28 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 0.07 -0.04 1.37 -1.05 0.00 0.00 178.16 179.05 2kuq h LEU 60 N 0.00 0.00 -0.03 3.88 -0.00 -1.92 -2.74 115.31 114.50 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 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 2kuq h LEU 60 CO 0.01 0.04 -0.45 0.00 -0.00 0.00 0.00 178.44 178.04 2kuq s LEU 62 N -2.96 3.48 0.55 0.00 1.43 -1.03 -1.08 118.68 119.07 2kuq s LEU 62 Ca 0.12 -1.40 0.27 0.00 -1.03 0.00 0.00 54.13 52.10 2kuq s LEU 62 Cb 0.18 -2.57 1.62 0.00 0.03 0.00 0.00 46.19 45.45 2kuq s LEU 62 CO 0.67 -1.61 2.17 -0.09 0.23 0.00 0.00 176.35 177.73 2kuq h ARG 63 N 9.90 0.00 -1.48 1.70 2.43 -1.59 -3.34 114.38 121.99 2kuq h ARG 63 Ca 0.19 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.46 2kuq h ARG 63 Cb 1.01 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 30.31 2kuq h ARG 63 CO 1.41 0.05 0.59 -0.98 -1.51 0.00 0.00 179.97 179.53 2kuq s ARG 64 N -4.50 0.47 -0.02 0.20 1.70 -1.25 -4.52 118.95 111.04 2kuq s ARG 64 Ca -0.04 0.25 -0.10 0.00 -0.47 0.00 0.00 55.73 55.37 2kuq s ARG 64 Cb 0.15 0.23 0.01 0.00 -0.57 0.00 0.00 34.95 34.76 2kuq s ARG 64 CO 0.57 -0.12 0.22 1.52 -1.08 0.00 0.00 175.30 176.41 2kuq s TYR 65 N -0.65 -0.10 0.38 5.89 -0.85 -1.26 -0.78 117.35 119.98 2kuq s TYR 65 Ca 0.01 0.15 -0.15 0.00 -0.52 0.00 0.00 57.07 56.56 2kuq s TYR 65 Cb -0.02 0.03 0.05 0.00 0.38 0.00 0.00 41.96 42.40 2kuq s TYR 65 CO -0.03 -0.30 0.77 0.20 -1.52 0.00 0.00 175.55 174.68 2kuq s GLY 66 N -1.09 0.39 -0.27 5.49 0.00 0.16 -1.28 107.32 110.73 2kuq s GLY 66 Ca -0.12 -0.76 -0.23 0.00 0.00 0.00 0.00 44.72 43.61 2kuq s GLY 66 CO 0.02 -0.33 0.76 -2.52 0.00 0.00 0.00 173.10 171.03 2kuq s TYR 67 N -2.45 -0.79 0.11 1.90 1.13 -1.04 -1.82 117.35 114.38 2kuq s TYR 67 Ca 0.16 1.85 0.01 0.00 -1.41 0.00 0.00 57.07 57.68 2kuq s TYR 67 Cb -0.05 0.34 0.01 0.00 -1.10 0.00 0.00 41.96 41.16 2kuq s TYR 67 CO 0.12 -0.38 0.11 -3.47 -2.51 0.00 0.00 175.55 169.41 2kuq n ASP 68 N 2.91 0.97 0.15 -0.18 -0.08 0.48 -4.54 116.55 116.27 2kuq n ASP 68 Ca -0.15 -1.34 0.13 0.00 -1.51 0.00 0.00 54.79 51.92 2kuq n ASP 68 Cb 0.56 -0.04 0.54 0.00 2.34 0.00 0.00 41.12 44.52 2kuq n ASP 68 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2kuq h SER 69 N 0.08 0.00 0.00 1.67 0.87 -1.99 -3.28 113.55 110.91 2kuq h SER 69 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2kuq h SER 69 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2kuq h SER 69 CO 0.09 0.00 -0.15 -3.20 -0.53 0.00 0.00 176.83 173.04 2kuq n ASN 70 N -2.35 0.00 -3.74 6.23 5.15 -1.26 -4.87 115.26 114.43 2kuq n ASN 70 Ca 0.01 -1.30 -0.12 0.00 -0.60 0.00 0.00 54.58 52.56 2kuq n ASN 70 Cb 0.21 -0.06 -0.13 0.00 -0.53 0.00 0.00 39.78 39.27 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 0.00 0.50 -0.13 1.20 2.96 -1.24 -1.29 118.68 120.68 2kuq s LEU 71 Ca 0.00 0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 2kuq s LEU 71 Cb 0.00 0.77 -0.02 0.00 0.50 0.00 0.00 46.19 47.44 2kuq s LEU 71 CO 0.00 -0.15 -0.11 0.12 -1.32 0.00 0.00 176.35 174.89 2kuq s PHE 72 N 1.08 2.85 -0.02 5.38 5.36 -0.20 -0.38 117.98 132.06 2kuq s PHE 72 Ca -0.08 -0.50 -0.11 0.00 -0.96 0.00 0.00 56.93 55.28 2kuq s PHE 72 Cb -0.09 -1.84 0.01 0.00 -0.34 0.00 0.00 43.02 40.76 2kuq s PHE 72 CO -0.07 -0.12 0.24 0.45 -1.46 0.00 0.00 175.22 174.25 2kuq s SER 73 N 0.21 -0.11 0.08 6.13 0.15 -0.76 -1.01 113.70 118.39 2kuq s SER 73 Ca -0.07 0.01 -0.21 0.00 0.70 0.00 0.00 55.95 56.39 2kuq s SER 73 Cb -0.15 0.29 0.05 0.00 -1.71 0.00 0.00 66.02 64.50 2kuq s SER 73 CO 0.05 -0.38 0.50 0.72 1.20 0.00 0.00 173.24 175.33 2kuq s PHE 74 N -1.19 -0.38 -0.16 3.44 -0.12 -0.82 -0.66 117.98 118.10 2kuq s PHE 74 Ca -0.13 0.30 -0.05 0.00 -0.05 0.00 0.00 56.93 57.00 2kuq s PHE 74 Cb -0.06 0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 42.65 2kuq s PHE 74 CO 0.03 -0.68 0.00 -2.00 -0.05 0.00 0.00 175.22 172.52 2kuq s GLU 75 N -2.97 3.70 -0.06 1.99 2.12 0.04 -1.42 118.70 122.09 2kuq s GLU 75 Ca -0.02 -0.44 0.02 0.00 0.36 0.00 0.00 54.97 54.88 2kuq s GLU 75 Cb -0.00 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.35 2kuq s GLU 75 CO -0.06 0.31 -0.11 -1.12 -0.54 0.00 0.00 175.26 173.74 2kuq s SER 76 N 0.21 4.32 1.02 -1.70 0.01 -0.03 -2.25 113.70 115.28 2kuq s SER 76 Ca 0.00 -0.12 -0.16 0.00 1.31 0.00 0.00 55.95 56.98 2kuq s SER 76 Cb -0.13 -1.06 0.21 0.00 0.21 0.00 0.00 66.02 65.25 2kuq s SER 76 CO 0.02 0.34 1.22 -0.83 0.41 0.00 0.00 173.24 174.39 2kuq s GLY 77 N -0.67 1.67 0.46 3.44 0.00 -0.24 -1.97 107.32 110.02 2kuq s GLY 77 Ca 0.10 -0.98 0.32 0.00 0.00 0.00 0.00 44.72 44.16 2kuq s GLY 77 CO 0.01 -0.22 1.95 0.07 0.00 0.00 0.00 173.10 174.92 2kuq h ARG 78 N -1.89 0.00 -3.25 2.90 0.11 -1.91 -3.26 114.38 107.09 2kuq h ARG 78 Ca -0.46 0.00 -0.79 0.00 0.10 0.00 0.00 59.98 58.83 2kuq h ARG 78 Cb 1.27 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 32.07 2kuq h ARG 78 CO 0.42 0.00 0.54 0.54 0.10 0.00 0.00 179.97 181.57 2kuq n ARG 79 N -2.70 3.86 -3.84 0.08 1.74 -1.26 -4.49 116.66 110.05 2kuq n ARG 79 Ca -0.01 -4.51 -0.07 0.00 -0.77 0.00 0.00 57.85 52.50 2kuq n ARG 79 Cb 0.16 -2.52 -0.01 0.00 -1.02 0.00 0.00 32.46 29.07 2kuq n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kuq h GLN 81 N 2.00 0.00 -0.00 0.00 4.15 -1.94 -2.77 115.11 116.55 2kuq h GLN 81 Ca -0.22 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.20 2kuq h GLN 81 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2kuq h GLN 81 CO 0.27 0.13 -0.93 0.25 -1.93 0.00 0.00 178.83 176.62 2kuq n THR 82 N -3.97 0.00 -1.06 2.39 -2.24 -1.26 -5.10 114.28 103.04 2kuq n THR 82 Ca -0.02 -0.03 0.04 0.00 -2.27 0.00 0.00 64.05 61.76 2kuq n THR 82 Cb 0.22 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.45 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 1.49 -2.12 3.72 3.38 0.00 -1.05 -4.90 105.19 105.70 2kuq n GLY 83 Ca 0.05 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2kuq n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kuq s GLN 84 N -1.03 4.26 0.00 1.61 0.74 -1.23 -4.72 119.66 119.28 2kuq s GLN 84 Ca 0.00 2.25 0.00 0.00 0.05 0.00 0.00 55.36 57.66 2kuq s GLN 84 Cb 0.00 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 30.92 2kuq s GLN 84 CO 0.00 -0.53 0.00 0.41 -0.55 0.00 0.00 175.29 174.62 2kuq n GLY 85 N 3.59 -0.89 3.37 2.59 0.00 -0.83 -4.82 105.19 108.20 2kuq n GLY 85 Ca 0.13 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 2kuq n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kuq s ILE 86 N -2.00 2.44 0.13 -0.61 1.01 -1.23 -0.85 121.20 120.09 2kuq s ILE 86 Ca 0.00 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.75 2kuq s ILE 86 Cb 0.00 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2kuq s ILE 86 CO 0.00 0.58 -0.13 -0.36 0.00 0.00 0.00 174.94 175.03 2kuq s PHE 87 N -0.64 1.37 -0.09 3.97 0.08 -0.51 -0.65 117.98 121.50 2kuq s PHE 87 Ca 0.10 -0.59 -0.11 0.00 0.12 0.00 0.00 56.93 56.45 2kuq s PHE 87 Cb -0.10 -0.71 0.03 0.00 -0.57 0.00 0.00 43.02 41.67 2kuq s PHE 87 CO -0.00 0.13 0.29 0.00 -0.10 0.00 0.00 175.22 175.55 2kuq s ALA 88 N -2.35 -0.73 -0.04 5.36 0.00 -1.26 -1.94 121.76 120.80 2kuq s ALA 88 Ca 0.10 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.80 2kuq s ALA 88 Cb -0.04 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2kuq s ALA 88 CO 0.03 -0.16 -0.07 -0.06 0.00 0.00 0.00 175.76 175.50 2kuq s PHE 89 N -0.12 0.90 -0.19 0.00 0.40 -0.18 -2.73 117.98 116.06 2kuq s PHE 89 Ca -0.03 -0.27 -0.21 0.00 -0.60 0.00 0.00 56.93 55.82 2kuq s PHE 89 Cb -0.03 -0.73 -0.02 0.00 0.51 0.00 0.00 43.02 42.75 2kuq s PHE 89 CO 0.01 -0.19 0.65 0.21 0.70 0.00 0.00 175.22 176.60 2kuq s LYS 90 N 0.73 4.22 -0.29 0.44 2.20 0.11 -1.03 119.74 126.13 2kuq s LYS 90 Ca -0.11 0.66 -0.17 0.00 -0.36 0.00 0.00 55.97 55.99 2kuq s LYS 90 Cb -0.14 -3.58 0.14 0.00 -1.51 0.00 0.00 37.83 32.74 2kuq s LYS 90 CO 0.01 -0.25 0.95 0.00 -0.36 0.00 0.00 175.35 175.70 2kuq h SER 92 N 6.01 0.00 -0.41 0.00 0.02 -1.89 -2.59 113.55 114.69 2kuq h SER 92 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2kuq h SER 92 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2kuq h SER 92 CO 0.19 0.16 0.00 0.54 -1.14 0.00 0.00 176.83 176.57 2kuq n ARG 93 N -3.80 2.73 -0.28 3.45 1.74 -1.26 -4.48 116.66 114.76 2kuq n ARG 93 Ca -0.02 -1.80 0.24 0.00 -0.77 0.00 0.00 57.85 55.50 2kuq n ARG 93 Cb 0.26 -1.66 0.57 0.00 -1.02 0.00 0.00 32.46 30.61 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 3.55 2.42 -0.70 7.54 0.00 -1.81 -0.39 119.26 129.87 2kuq h ALA 94 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2kuq h ALA 94 Cb 1.01 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2kuq h ALA 94 CO 0.15 -0.76 0.35 1.49 0.00 0.00 0.00 179.25 180.49 2kuq h GLU 95 N 0.30 1.00 0.04 0.00 4.81 -1.84 -1.33 114.58 117.56 2kuq h GLU 95 Ca 0.53 -0.14 -0.22 0.00 -0.13 0.00 0.00 59.36 59.40 2kuq h GLU 95 Cb 1.52 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 2kuq h GLU 95 CO -0.18 0.78 -1.01 0.93 -0.73 0.00 0.00 179.01 178.79 2kuq h GLU 96 N 0.97 0.16 -0.09 1.92 4.39 -1.44 0.13 114.58 120.62 2kuq h GLU 96 Ca 0.24 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2kuq h GLU 96 Cb 0.09 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2kuq h GLU 96 CO -0.03 1.04 0.05 0.82 -1.16 0.00 0.00 179.01 179.72 2kuq h ILE 97 N 0.07 1.08 -0.55 3.13 2.04 -1.35 -1.72 117.51 120.20 2kuq h ILE 97 Ca -0.06 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2kuq h ILE 97 Cb 1.71 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 2kuq h ILE 97 CO 0.15 0.07 0.26 0.15 0.00 0.00 0.00 178.15 178.78 2kuq h PHE 98 N 0.05 0.80 -0.11 1.37 3.57 -1.17 -0.10 116.94 121.34 2kuq h PHE 98 Ca 0.03 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2kuq h PHE 98 Cb 0.07 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2kuq h PHE 98 CO -0.05 0.62 -0.04 -0.91 -2.23 0.00 0.00 178.31 175.71 2kuq h ASN 99 N 0.75 -0.13 -0.74 0.41 2.35 -0.91 -0.36 115.58 116.94 2kuq h ASN 99 Ca 0.19 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 2kuq h ASN 99 Cb 0.12 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 2kuq h ASN 99 CO -0.02 -0.05 0.31 0.25 -1.65 0.00 0.00 177.43 176.27 2kuq h LEU 100 N -0.02 1.01 0.01 1.61 5.85 -1.18 -1.26 115.31 121.34 2kuq h LEU 100 Ca 0.06 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2kuq h LEU 100 Cb 0.10 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.87 2kuq h LEU 100 CO -0.13 0.90 -0.00 0.25 -0.34 0.00 0.00 178.44 179.12 2kuq h LEU 101 N 1.07 -0.01 -1.04 2.25 5.85 -0.68 -1.31 115.31 121.43 2kuq h LEU 101 Ca 0.25 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 2kuq h LEU 101 Cb 0.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2kuq h LEU 101 CO -0.02 0.03 -0.29 0.06 -0.34 0.00 0.00 178.44 177.88 2kuq h GLN 102 N -0.04 0.33 -0.55 1.25 3.07 -0.98 -1.19 115.11 117.00 2kuq h GLN 102 Ca -0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 2kuq h GLN 102 Cb 0.04 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.55 2kuq h GLN 102 CO 0.00 0.59 0.26 -0.44 0.09 0.00 0.00 178.83 179.34 2kuq h ASP 103 N 0.30 0.72 0.73 0.06 3.32 -1.02 0.83 116.42 121.35 2kuq h ASP 103 Ca 0.04 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 2kuq h ASP 103 Cb 0.66 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2kuq h ASP 103 CO 0.05 0.65 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.67 2kuq h LEU 104 N 0.74 0.00 0.00 1.55 3.38 -1.04 -2.17 115.31 117.77 2kuq h LEU 104 Ca 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 2kuq h LEU 104 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2kuq h LEU 104 CO -0.02 0.48 -1.18 0.24 0.09 0.00 0.00 178.44 178.05 2kuq h MET 105 N 0.00 0.00 0.00 1.13 2.86 -0.96 -3.32 114.93 114.63 2kuq h MET 105 Ca -0.00 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 2kuq h MET 105 Cb 0.98 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.60 2kuq h MET 105 CO 0.06 0.13 -1.47 -0.56 1.06 0.00 0.00 176.91 176.14 2kuq h GLN 106 N 0.00 0.00 -3.24 1.72 3.07 -0.89 -3.43 115.11 112.35 2kuq h GLN 106 Ca -0.07 0.00 -0.63 0.00 0.09 0.00 0.00 58.65 58.04 2kuq h GLN 106 Cb 1.26 0.00 -0.41 0.00 0.08 0.00 0.00 27.48 28.42 2kuq h GLN 106 CO 0.02 0.40 -0.66 0.00 0.09 0.00 0.00 178.83 178.67 2kuq s ASN 108 N -0.13 3.94 0.08 0.00 2.47 -1.25 -4.55 114.94 115.51 2kuq s ASN 108 Ca 0.18 2.27 -0.18 0.00 0.42 0.00 0.00 52.86 55.55 2kuq s ASN 108 Cb -0.25 -2.58 0.04 0.00 -1.45 0.00 0.00 41.25 37.01 2kuq s ASN 108 CO -0.01 -2.43 0.42 -0.55 -3.72 0.00 0.00 177.10 170.82 2kuq s SER 109 N -2.30 -0.29 -0.04 -4.21 0.15 -1.26 -5.12 113.70 100.63 2kuq s SER 109 Ca 0.71 -0.13 -0.02 0.00 0.70 0.00 0.00 55.95 57.22 2kuq s SER 109 Cb -0.27 0.46 0.03 0.00 -1.71 0.00 0.00 66.02 64.53 2kuq s SER 109 CO 0.49 -0.76 0.05 -0.63 1.20 0.00 0.00 173.24 173.59 2kuq s ILE 110 N -3.11 -0.06 0.00 6.45 1.01 -1.26 -4.86 121.20 119.37 2kuq s ILE 110 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.03 2kuq s ILE 110 Cb 0.00 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.28 2kuq s ILE 110 CO -0.07 0.19 0.44 -0.46 0.00 0.00 0.00 174.94 175.04 2kuq n ASN 111 N 5.26 0.65 -3.76 3.58 6.94 -1.26 -5.08 115.26 121.60 2kuq n ASN 111 Ca -0.04 -1.19 -0.13 0.00 -0.02 0.00 0.00 54.58 53.20 2kuq n ASN 111 Cb 0.50 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.84 2kuq n ASN 111 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2kuq s VAL 112 N -0.19 0.06 -0.64 3.53 -7.23 -1.26 -5.13 120.40 109.53 2kuq s VAL 112 Ca 0.00 -0.52 -0.22 0.00 -1.81 0.00 0.00 61.98 59.43 2kuq s VAL 112 Cb 0.00 -0.69 0.08 0.00 0.56 0.00 0.00 36.38 36.32 2kuq s VAL 112 CO 0.00 -0.28 0.91 -0.04 -0.31 0.00 0.00 175.10 175.38 2kuq s MET 113 N -1.60 3.10 0.11 4.82 -1.94 -1.26 -5.03 119.30 117.50 2kuq s MET 113 Ca -0.12 -0.90 0.04 0.00 -1.71 0.00 0.00 55.69 53.00 2kuq s MET 113 Cb -0.04 -4.23 -0.04 0.00 2.01 0.00 0.00 34.83 32.53 2kuq s MET 113 CO 0.03 -1.75 0.06 -1.21 -0.01 0.00 0.00 175.02 172.14 2kuq s GLU 114 N 3.81 2.75 0.41 2.03 0.41 -1.26 -5.11 118.70 121.74 2kuq s GLU 114 Ca 0.20 -0.80 -0.26 0.00 -0.41 0.00 0.00 54.97 53.69 2kuq s GLU 114 Cb -0.18 -2.63 -0.09 0.00 -1.78 0.00 0.00 34.13 29.45 2kuq s GLU 114 CO 0.10 0.53 1.42 -1.21 -0.49 0.00 0.00 175.26 175.61 2kuq s GLU 115 N -2.57 3.91 0.26 1.61 8.01 -1.26 -4.97 118.70 123.68 2kuq s GLU 115 Ca 0.29 2.42 -0.29 0.00 0.01 0.00 0.00 54.97 57.39 2kuq s GLU 115 Cb -0.11 -2.80 -0.09 0.00 -4.31 0.00 0.00 34.13 26.82 2kuq s GLU 115 CO 0.21 -0.64 1.17 -1.25 0.01 0.00 0.00 175.26 174.76 2kuq s PRO 116 N -2.26 4.54 0.07 0.39 0.04 -1.26 -5.03 135.00 131.49 2kuq s PRO 116 Ca 0.57 1.91 -0.23 0.00 0.04 0.00 0.00 61.00 63.29 2kuq s PRO 116 Cb -0.44 -3.18 -0.06 0.00 0.04 0.00 0.00 34.50 30.86 2kuq s PRO 116 CO 0.57 0.04 0.70 0.54 0.04 0.00 0.00 177.00 178.90 2kuq s VAL 117 N -0.83 4.68 -0.19 -0.36 0.11 -1.26 -5.08 120.40 117.48 2kuq s VAL 117 Ca 0.48 1.49 -0.01 0.00 -2.93 0.00 0.00 61.98 61.01 2kuq s VAL 117 Cb -0.34 -4.04 0.00 0.00 -1.53 0.00 0.00 36.38 30.47 2kuq s VAL 117 CO 0.42 0.45 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.88 2kuq s ILE 118 N -0.52 2.71 -0.02 7.04 -1.09 -1.26 -5.12 121.20 122.95 2kuq s ILE 118 Ca 0.35 -0.73 0.05 0.00 -2.23 0.00 0.00 60.65 58.09 2kuq s ILE 118 Cb -0.20 -2.18 -0.01 0.00 -1.58 0.00 0.00 42.46 38.48 2kuq s ILE 118 CO 0.22 0.49 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.61 2kuq s ILE 119 N 1.23 1.43 0.03 2.92 -1.09 -1.26 -5.15 121.20 119.31 2kuq s ILE 119 Ca 0.03 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 2kuq s ILE 119 Cb -0.14 -1.19 -0.02 0.00 -1.58 0.00 0.00 42.46 39.52 2kuq s ILE 119 CO -0.06 0.41 -0.06 0.42 -1.23 0.00 0.00 174.94 174.42 2kuq s THR 120 N -0.37 0.36 -1.40 2.92 -4.23 -1.26 -5.08 115.64 106.58 2kuq s THR 120 Ca 0.06 -1.03 0.25 0.00 -1.18 0.00 0.00 61.69 59.79 2kuq s THR 120 Cb -0.08 -0.48 0.07 0.00 1.34 0.00 0.00 72.50 73.35 2kuq s THR 120 CO -0.00 -0.45 1.37 -1.54 -0.54 0.00 0.00 174.62 173.46 2kuq n SER 121 N 1.49 0.93 -3.56 3.99 3.41 -1.26 -4.66 113.62 113.94 2kuq n SER 121 Ca -0.23 -0.72 -0.41 0.00 -0.26 0.00 0.00 58.87 57.25 2kuq n SER 121 Cb 0.55 0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 64.82 2kuq n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kuq n GLY 122 N 1.43 4.56 3.81 5.00 0.00 -1.26 -4.87 105.19 113.86 2kuq n GLY 122 Ca 0.08 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 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 1.97 -0.04 0.04 1.61 1.04 -1.26 -5.20 113.70 111.86 2kuq s SER 123 Ca 0.55 -1.01 -0.19 0.00 0.48 0.00 0.00 55.95 55.78 2kuq s SER 123 Cb 0.15 0.81 0.04 0.00 0.10 0.00 0.00 66.02 67.12 2kuq s SER 123 CO -0.06 -1.58 0.43 -0.94 0.98 0.00 0.00 173.24 172.07 2kuq s SER 124 N -3.03 -0.32 0.37 7.02 1.04 -1.26 -5.20 113.70 112.32 2kuq s SER 124 Ca 0.15 0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.69 2kuq s SER 124 Cb -0.05 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.44 2kuq s SER 124 CO 0.10 -0.66 0.04 -0.83 0.98 0.00 0.00 173.24 172.88 2kuq s GLY 125 N -1.92 2.34 0.06 7.32 0.00 -1.26 -5.18 107.32 108.68 2kuq s GLY 125 Ca -0.06 -1.96 -0.16 0.00 0.00 0.00 0.00 44.72 42.55 2kuq s GLY 125 CO -0.01 -1.94 0.35 -0.56 0.00 0.00 0.00 173.10 170.94 2kuq s SER 126 N -3.60 -0.19 0.17 1.64 0.01 -1.26 -5.15 113.70 105.31 2kuq s SER 126 Ca 0.33 -0.15 -0.31 0.00 1.31 0.00 0.00 55.95 57.13 2kuq s SER 126 Cb 0.08 0.40 -0.10 0.00 0.21 0.00 0.00 66.02 66.61 2kuq s SER 126 CO 0.15 -0.67 1.50 -0.44 0.41 0.00 0.00 173.24 174.20 2kuq s SER 127 N -2.16 6.66 0.00 2.44 0.01 -1.26 -5.04 113.70 114.35 2kuq s SER 127 Ca -0.04 2.56 0.00 0.00 1.31 0.00 0.00 55.95 59.78 2kuq s SER 127 Cb -0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2kuq s SER 127 CO -0.04 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.46 2kuq n GLY 128 N 3.40 2.26 3.57 3.44 0.00 -1.26 -5.17 105.19 111.42 2kuq n GLY 128 Ca 0.12 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.94 -0.41 -0.28 1.61 1.04 -1.26 -5.06 113.70 108.40 2kuq s SER 129 Ca 0.00 -0.18 -0.22 0.00 0.48 0.00 0.00 55.95 56.03 2kuq s SER 129 Cb 0.00 0.56 0.08 0.00 0.10 0.00 0.00 66.02 66.77 2kuq s SER 129 CO 0.00 -0.96 0.76 -0.44 0.98 0.00 0.00 173.24 173.58 2kuq s SER 130 N -2.75 -0.76 -0.20 7.02 0.01 -1.26 -4.91 113.70 110.86 2kuq s SER 130 Ca 0.05 1.37 -0.08 0.00 1.31 0.00 0.00 55.95 58.60 2kuq s SER 130 Cb -0.02 1.36 -0.04 0.00 0.21 0.00 0.00 66.02 67.53 2kuq s SER 130 CO -0.06 -0.23 0.08 -0.83 0.41 0.00 0.00 173.24 172.61 2kuq s GLY 131 N 0.77 1.92 0.17 3.44 0.00 -1.26 -5.06 107.32 107.30 2kuq s GLY 131 Ca -0.03 -0.79 -0.17 0.00 0.00 0.00 0.00 44.72 43.73 2kuq s GLY 131 CO -0.07 0.15 0.48 -0.56 0.00 0.00 0.00 173.10 173.10 2kuq s SER 132 N 0.57 -0.26 -0.02 1.64 0.01 -1.26 -5.13 113.70 109.25 2kuq s SER 132 Ca 0.04 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 2kuq s SER 132 Cb -0.13 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2kuq s SER 132 CO 0.01 -0.98 0.05 -0.44 0.41 0.00 0.00 173.24 172.29 2kuq s SER 133 N -2.85 -0.05 0.00 2.44 0.01 -1.26 -4.95 113.70 107.04 2kuq s SER 133 Ca 0.07 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2kuq s SER 133 Cb 0.00 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.34 2kuq s SER 133 CO -0.06 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2kuq n GLY 134 N 3.02 2.19 3.71 3.44 0.00 -1.26 -5.04 105.19 111.24 2kuq n GLY 134 Ca -0.12 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 4.39 -0.06 0.99 1.43 -1.26 -4.94 118.68 119.24 2kuq s LEU 135 Ca 0.00 1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 54.55 2kuq s LEU 135 Cb 0.00 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 2kuq s LEU 135 CO 0.00 -0.26 1.08 0.12 0.23 0.00 0.00 176.35 177.52 2kuq s PHE 136 N 0.82 3.43 -0.26 0.29 2.19 -1.26 -5.03 117.98 118.15 2kuq s PHE 136 Ca 0.52 1.46 -0.17 0.00 0.33 0.00 0.00 56.93 59.07 2kuq s PHE 136 Cb -0.23 -3.27 -0.03 0.00 -1.31 0.00 0.00 43.02 38.18 2kuq s PHE 136 CO 0.29 -0.64 0.49 1.03 1.83 0.00 0.00 175.22 178.22 2kuq s ARG 137 N 1.82 4.06 0.15 10.12 3.00 -1.26 -4.61 118.95 132.22 2kuq s ARG 137 Ca 0.52 0.28 -0.21 0.00 0.00 0.00 0.00 55.73 56.31 2kuq s ARG 137 Cb -0.22 -3.65 -0.08 0.00 0.00 0.00 0.00 34.95 31.00 2kuq s ARG 137 CO 0.22 -0.35 0.68 -0.51 0.00 0.00 0.00 175.30 175.35 2kuq s LEU 138 N 2.28 4.50 0.15 2.53 1.43 0.18 -4.95 118.68 124.80 2kuq s LEU 138 Ca 0.20 1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 54.73 2kuq s LEU 138 Cb -0.16 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 2kuq s LEU 138 CO 0.09 0.19 1.35 0.03 0.23 0.00 0.00 176.35 178.24 2kuq h ARG 139 N 4.14 0.33 -4.56 1.70 3.08 -1.98 -3.25 114.38 113.84 2kuq h ARG 139 Ca -0.48 -0.35 -0.23 0.00 0.07 0.00 0.00 59.98 58.99 2kuq h ARG 139 Cb 1.21 0.10 -0.17 0.00 0.08 0.00 0.00 29.97 31.18 2kuq h ARG 139 CO 0.65 1.03 -0.71 -1.01 -1.07 0.00 0.00 179.97 178.86 2kuq s HIS 140 N -3.29 0.76 -0.13 3.04 3.76 -1.26 -4.96 115.29 113.21 2kuq s HIS 140 Ca -0.05 -0.78 -0.29 0.00 -0.15 0.00 0.00 55.06 53.79 2kuq s HIS 140 Cb 0.09 -0.45 -0.02 0.00 1.11 0.00 0.00 32.58 33.31 2kuq s HIS 140 CO 0.85 -0.15 1.32 0.12 -0.85 0.00 0.00 174.74 176.03 2kuq s PHE 141 N -2.82 2.75 -0.34 1.40 2.19 -1.26 -4.93 117.98 114.97 2kuq s PHE 141 Ca 0.03 0.90 0.01 0.00 0.33 0.00 0.00 56.93 58.20 2kuq s PHE 141 Cb -0.00 -3.57 0.09 0.00 -1.31 0.00 0.00 43.02 38.24 2kuq s PHE 141 CO -0.03 -2.02 0.97 -0.35 1.83 0.00 0.00 175.22 175.61 2kuq n PRO 142 N 6.48 1.28 -3.71 10.12 -0.04 -1.26 -4.85 135.00 143.02 2kuq n PRO 142 Ca 0.14 -0.39 -0.14 0.00 -0.04 0.00 0.00 63.50 63.07 2kuq n PRO 142 Cb 0.45 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.52 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 2.22 -1.19 3.32 0.00 0.00 -1.26 -4.81 105.19 103.46 2kuq n GLY 144 Ca -0.16 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 2kuq n GLY 144 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kuq s ASN 145 N -3.56 5.94 -0.04 1.61 0.01 -1.26 -5.06 114.94 112.58 2kuq s ASN 145 Ca 0.06 -1.51 -0.03 0.00 -0.71 0.00 0.00 52.86 50.67 2kuq s ASN 145 Cb 0.15 -2.11 0.01 0.00 0.41 0.00 0.00 41.25 39.72 2kuq s ASN 145 CO 0.78 -0.65 0.10 -0.69 -1.51 0.00 0.00 177.10 175.14 2kuq s VAL 146 N 1.54 -0.01 -0.40 1.60 1.01 -1.26 -2.50 120.40 120.38 2kuq s VAL 146 Ca 0.04 0.03 0.18 0.00 0.00 0.00 0.00 61.98 62.23 2kuq s VAL 146 Cb -0.25 -0.16 -0.23 0.00 0.00 0.00 0.00 36.38 35.74 2kuq s VAL 146 CO 0.04 0.01 0.56 0.59 0.00 0.00 0.00 175.10 176.30 2kuq n ASN 147 N 3.23 0.87 0.00 3.32 4.13 -0.40 -4.98 115.26 121.43 2kuq n ASN 147 Ca -0.15 -0.43 0.00 0.00 1.68 0.00 0.00 54.58 55.68 2kuq n ASN 147 Cb 0.58 1.43 0.00 0.00 -1.54 0.00 0.00 39.78 40.25 2kuq n ASN 147 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2kuq n TYR 148 N -1.78 0.00 0.00 3.10 4.01 -1.26 -4.92 117.16 116.31 2kuq n TYR 148 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2kuq n TYR 148 Cb 0.37 -1.78 0.00 0.00 -0.31 0.00 0.00 39.34 37.62 2kuq n TYR 148 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kuq n GLY 149 N 0.42 0.00 3.75 2.72 0.00 -1.26 -4.30 105.19 106.52 2kuq n GLY 149 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.74 0.02 1.61 1.51 -1.25 -5.07 117.35 117.91 2kuq s TYR 150 Ca 0.00 1.45 -0.24 0.00 -1.01 0.00 0.00 57.07 57.27 2kuq s TYR 150 Cb 0.00 -2.79 0.05 0.00 -0.11 0.00 0.00 41.96 39.12 2kuq s TYR 150 CO 0.00 0.30 0.54 -1.14 -1.11 0.00 0.00 175.55 174.14 2kuq s GLN 151 N -0.16 1.01 -0.62 -0.62 0.74 -1.26 -4.06 119.66 114.70 2kuq s GLN 151 Ca 0.37 -0.12 -0.27 0.00 0.05 0.00 0.00 55.36 55.39 2kuq s GLN 151 Cb -0.20 0.47 -0.00 0.00 1.10 0.00 0.00 33.01 34.37 2kuq s GLN 151 CO 0.22 -0.35 1.66 1.14 -0.55 0.00 0.00 175.29 177.41 2kuq s GLN 152 N -2.08 2.90 0.00 1.67 -2.07 -1.26 -5.16 119.66 113.66 2kuq s GLN 152 Ca -0.07 0.45 0.16 0.00 -1.82 0.00 0.00 55.36 54.07 2kuq s GLN 152 Cb -0.01 -4.29 0.93 0.00 -1.09 0.00 0.00 33.01 28.55 2kuq s GLN 152 CO 0.01 -2.43 1.34 0.00 -1.32 0.00 0.00 175.29 172.90