#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuq n SER 2 N 0.00 -5.40 -3.71 1.61 2.88 -1.26 -5.02 113.62 102.72 2kuq n SER 2 Ca 0.00 -0.40 -0.14 0.00 -1.33 0.00 0.00 58.87 57.00 2kuq n SER 2 Cb 0.00 -4.02 -0.09 0.00 -0.75 0.00 0.00 64.21 59.35 2kuq n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kuq s SER 3 N -3.20 -0.40 0.26 -3.46 0.15 -1.26 -5.19 113.70 100.59 2kuq s SER 3 Ca 0.44 0.61 0.02 0.00 0.70 0.00 0.00 55.95 57.72 2kuq s SER 3 Cb -0.19 0.67 -0.01 0.00 -1.71 0.00 0.00 66.02 64.78 2kuq s SER 3 CO 0.54 -0.31 0.06 0.61 1.20 0.00 0.00 173.24 175.34 2kuq n GLY 4 N 2.07 3.68 2.27 9.45 0.00 -1.26 -5.19 105.19 116.22 2kuq n GLY 4 Ca -0.17 -2.13 -0.04 0.00 0.00 0.00 0.00 46.02 43.69 2kuq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kuq n SER 5 N -1.55 -1.22 -3.50 1.61 2.88 -1.26 -5.17 113.62 105.41 2kuq n SER 5 Ca -0.06 -1.76 -0.13 0.00 -1.33 0.00 0.00 58.87 55.59 2kuq n SER 5 Cb 0.36 2.00 -0.04 0.00 -0.75 0.00 0.00 64.21 65.79 2kuq n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2kuq s SER 6 N -2.34 -0.49 0.17 -3.46 1.04 -1.26 -5.16 113.70 102.19 2kuq s SER 6 Ca 0.11 0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.29 2kuq s SER 6 Cb -0.02 0.55 -0.07 0.00 0.10 0.00 0.00 66.02 66.57 2kuq s SER 6 CO 0.05 -0.86 1.00 -0.83 0.98 0.00 0.00 173.24 173.58 2kuq s GLY 7 N -2.46 3.00 0.03 7.32 0.00 -1.26 -5.07 107.32 108.89 2kuq s GLY 7 Ca -0.01 0.66 -0.09 0.00 0.00 0.00 0.00 44.72 45.29 2kuq s GLY 7 CO -0.08 1.44 0.17 1.08 0.00 0.00 0.00 173.10 175.70 2kuq s LEU 8 N -0.48 1.46 -0.38 0.66 1.43 -1.26 -5.13 118.68 114.98 2kuq s LEU 8 Ca 0.46 -0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 52.93 2kuq s LEU 8 Cb -0.26 0.85 -0.01 0.00 0.03 0.00 0.00 46.19 46.80 2kuq s LEU 8 CO 0.32 -0.50 1.64 0.20 0.23 0.00 0.00 176.35 178.23 2kuq s ASN 9 N -1.91 6.05 -0.28 2.29 0.01 -1.26 -4.95 114.94 114.88 2kuq s ASN 9 Ca -0.07 1.04 -0.18 0.00 -0.71 0.00 0.00 52.86 52.93 2kuq s ASN 9 Cb -0.03 -2.53 0.11 0.00 0.41 0.00 0.00 41.25 39.21 2kuq s ASN 9 CO -0.02 -1.63 0.84 -0.60 -1.51 0.00 0.00 177.10 174.18 2kuq s ARG 10 N 5.43 0.56 -1.39 -0.60 6.06 -1.26 -5.08 118.95 122.67 2kuq s ARG 10 Ca 0.71 0.91 -0.10 0.00 -2.50 0.00 0.00 55.73 54.75 2kuq s ARG 10 Cb -0.18 0.14 0.08 0.00 0.06 0.00 0.00 34.95 35.06 2kuq s ARG 10 CO 0.32 -0.11 2.21 -3.47 -2.50 0.00 0.00 175.30 171.76 2kuq n ASP 11 N 3.73 5.64 -3.51 -2.12 2.03 -1.26 -4.87 116.55 116.19 2kuq n ASP 11 Ca -0.18 -2.96 -0.17 0.00 0.52 0.00 0.00 54.79 52.00 2kuq n ASP 11 Cb 0.58 -1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 39.40 2kuq n ASP 11 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2kuq s SER 12 N 1.70 -0.63 -0.22 1.67 0.01 -1.26 -5.17 113.70 109.81 2kuq s SER 12 Ca 0.48 0.56 -0.14 0.00 1.31 0.00 0.00 55.95 58.15 2kuq s SER 12 Cb 0.14 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.87 2kuq s SER 12 CO -0.05 -0.68 0.34 -0.69 0.41 0.00 0.00 173.24 172.57 2kuq s VAL 13 N -1.71 5.23 0.47 3.43 1.01 -1.26 -5.08 120.40 122.49 2kuq s VAL 13 Ca -0.09 0.56 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 2kuq s VAL 13 Cb -0.00 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.63 2kuq s VAL 13 CO 0.05 0.26 1.06 -2.16 0.00 0.00 0.00 175.10 174.32 2kuq s PRO 14 N 1.36 3.82 0.00 2.72 0.04 -1.26 -4.95 135.00 136.72 2kuq s PRO 14 Ca 0.16 1.46 0.18 0.00 0.04 0.00 0.00 61.00 62.84 2kuq s PRO 14 Cb -0.15 -2.20 1.01 0.00 0.04 0.00 0.00 34.50 33.20 2kuq s PRO 14 CO 0.07 -0.43 1.52 -0.40 0.04 0.00 0.00 177.00 177.80 2kuq n ASP 15 N -0.78 0.00 -0.09 6.66 5.75 -1.26 -3.01 116.55 123.82 2kuq n ASP 15 Ca 0.08 -0.29 0.03 0.00 -0.01 0.00 0.00 54.79 54.60 2kuq n ASP 15 Cb 0.51 -0.13 0.04 0.00 -1.03 0.00 0.00 41.12 40.51 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 -1.13 1.49 -4.57 -1.12 6.94 -1.26 -5.07 115.26 110.54 2kuq n ASN 16 Ca 0.11 -2.17 -0.54 0.00 -0.02 0.00 0.00 54.58 51.96 2kuq n ASN 16 Cb 0.10 -0.16 -0.06 0.00 -2.36 0.00 0.00 39.78 37.29 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 -0.64 1.30 0.33 -2.53 -0.00 -1.16 -4.90 115.22 107.62 2kuq n HIS 17 Ca 0.05 0.74 0.15 0.00 0.46 0.00 0.00 57.72 59.12 2kuq n HIS 17 Cb 0.48 -2.27 0.51 0.00 -0.12 0.00 0.00 29.99 28.58 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 4.21 0.00 0.00 1.57 0.13 -1.99 -3.33 132.00 132.59 2kuq h PRO 18 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kuq h PRO 18 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2kuq h PRO 18 CO 0.75 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.77 2kuq n THR 19 N -2.82 0.00 -4.27 1.56 -2.24 -1.26 -5.06 114.28 100.19 2kuq n THR 19 Ca 0.02 -0.23 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 2kuq n THR 19 Cb 0.35 1.51 -0.16 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.02 0.80 -0.03 -0.78 2.20 -1.25 -2.62 119.74 118.04 2kuq s LYS 20 Ca 0.00 -0.21 -0.01 0.00 -0.36 0.00 0.00 55.97 55.39 2kuq s LYS 20 Cb 0.00 -0.77 0.03 0.00 -1.51 0.00 0.00 37.83 35.58 2kuq s LYS 20 CO 0.00 0.05 0.06 -0.06 -0.36 0.00 0.00 175.35 175.04 2kuq s PHE 21 N 0.36 -0.01 0.20 4.03 0.40 0.15 -4.50 117.98 118.60 2kuq s PHE 21 Ca -0.05 0.22 -0.31 0.00 -0.60 0.00 0.00 56.93 56.19 2kuq s PHE 21 Cb -0.09 -0.23 -0.10 0.00 0.51 0.00 0.00 43.02 43.11 2kuq s PHE 21 CO 0.00 -0.12 1.49 0.15 0.70 0.00 0.00 175.22 177.44 2kuq s LYS 22 N 1.21 4.25 0.06 0.44 -0.14 -1.26 -0.70 119.74 123.59 2kuq s LYS 22 Ca -0.08 2.30 -0.02 0.00 -1.36 0.00 0.00 55.97 56.81 2kuq s LYS 22 Cb -0.13 -3.15 -0.03 0.00 -1.68 0.00 0.00 37.83 32.84 2kuq s LYS 22 CO -0.04 -0.50 0.01 0.14 -0.76 0.00 0.00 175.35 174.20 2kuq s VAL 23 N 0.63 0.21 -0.05 3.17 -7.23 -0.33 -4.79 120.40 112.01 2kuq s VAL 23 Ca 0.65 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.11 2kuq s VAL 23 Cb -0.42 -1.47 0.04 0.00 0.56 0.00 0.00 36.38 35.08 2kuq s VAL 23 CO 0.36 -0.93 0.10 -0.89 -0.31 0.00 0.00 175.10 173.43 2kuq s THR 24 N -3.88 -0.14 0.30 5.32 2.01 -1.08 -0.68 115.64 117.51 2kuq s THR 24 Ca 0.06 0.34 -0.29 0.00 0.31 0.00 0.00 61.69 62.11 2kuq s THR 24 Cb 0.07 -0.19 -0.10 0.00 0.01 0.00 0.00 72.50 72.29 2kuq s THR 24 CO -0.10 0.14 1.20 0.21 -0.69 0.00 0.00 174.62 175.38 2kuq s ASN 25 N 1.89 7.03 0.03 3.53 3.04 -0.87 -0.81 114.94 128.78 2kuq s ASN 25 Ca 0.00 2.47 -0.00 0.00 0.04 0.00 0.00 52.86 55.37 2kuq s ASN 25 Cb -0.12 -2.64 -0.02 0.00 -1.54 0.00 0.00 41.25 36.93 2kuq s ASN 25 CO -0.04 -0.34 -0.03 0.68 -3.04 0.00 0.00 177.10 174.33 2kuq s VAL 26 N -1.13 0.16 1.09 -5.21 -7.23 -1.14 -1.82 120.40 105.12 2kuq s VAL 26 Ca 0.47 -1.11 -0.18 0.00 -1.81 0.00 0.00 61.98 59.34 2kuq s VAL 26 Cb -0.36 -0.54 0.26 0.00 0.56 0.00 0.00 36.38 36.30 2kuq s VAL 26 CO 0.47 -0.60 1.24 0.47 -0.31 0.00 0.00 175.10 176.36 2kuq n ASP 27 N 1.28 -0.85 0.28 4.85 8.00 -1.21 -4.77 116.55 124.12 2kuq n ASP 27 Ca -0.22 -1.35 0.19 0.00 0.71 0.00 0.00 54.79 54.12 2kuq n ASP 27 Cb 0.56 -1.02 0.88 0.00 -0.02 0.00 0.00 41.12 41.52 2kuq n ASP 27 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2kuq h ASP 28 N -2.18 0.00 0.19 -2.24 3.58 -1.98 -0.89 116.42 112.90 2kuq h ASP 28 Ca -0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2kuq h ASP 28 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2kuq h ASP 28 CO 0.29 0.00 -0.09 -0.62 -2.88 0.00 0.00 179.24 175.94 2kuq n GLU 29 N -2.93 1.01 -1.02 0.28 -0.58 -1.26 -4.96 120.64 111.18 2kuq n GLU 29 Ca -0.01 -0.44 -0.01 0.00 -0.42 0.00 0.00 57.16 56.29 2kuq n GLU 29 Cb 0.18 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.56 2kuq n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kuq n GLY 30 N 1.23 0.46 3.70 0.62 0.00 -0.34 -5.01 105.19 105.85 2kuq n GLY 30 Ca 0.16 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.89 3.52 -0.32 1.61 1.01 -1.26 -4.80 120.40 118.27 2kuq s VAL 31 Ca 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.71 2kuq s VAL 31 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2kuq s VAL 31 CO 0.00 0.04 1.74 -1.61 0.00 0.00 0.00 175.10 175.26 2kuq s GLU 32 N 1.75 3.44 -0.16 2.72 2.02 -1.26 -3.34 118.70 123.87 2kuq s GLU 32 Ca 0.64 1.43 -0.18 0.00 0.02 0.00 0.00 54.97 56.89 2kuq s GLU 32 Cb -0.34 -4.15 -0.15 0.00 0.10 0.00 0.00 34.13 29.58 2kuq s GLU 32 CO 0.29 -1.73 0.27 -0.07 0.02 0.00 0.00 175.26 174.04 2kuq h LEU 33 N 13.19 0.00 -7.00 1.80 3.38 -1.72 -3.50 115.31 121.46 2kuq h LEU 33 Ca -0.33 -0.48 0.06 0.00 0.09 0.00 0.00 57.88 57.22 2kuq h LEU 33 Cb 1.16 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.67 2kuq h LEU 33 CO 1.03 1.04 0.48 -0.83 0.09 0.00 0.00 178.44 180.25 2kuq s GLY 34 N -4.33 -0.23 0.59 0.83 0.00 -1.25 -5.04 107.32 97.89 2kuq s GLY 34 Ca -0.18 2.32 -0.09 0.00 0.00 0.00 0.00 44.72 46.77 2kuq s GLY 34 CO 0.45 1.44 0.96 -1.35 0.00 0.00 0.00 173.10 174.60 2kuq s SER 35 N -0.43 6.14 0.26 1.64 1.04 -1.26 -2.04 113.70 119.05 2kuq s SER 35 Ca 0.00 1.23 -0.20 0.00 0.48 0.00 0.00 55.95 57.46 2kuq s SER 35 Cb -0.03 -2.33 0.06 0.00 0.10 0.00 0.00 66.02 63.82 2kuq s SER 35 CO -0.02 -0.84 0.88 -0.83 0.98 0.00 0.00 173.24 173.41 2kuq s GLY 36 N -4.18 0.08 -0.22 7.32 0.00 0.15 -4.46 107.32 106.01 2kuq s GLY 36 Ca 0.53 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.89 2kuq s GLY 36 CO 0.51 0.47 -0.05 0.14 0.00 0.00 0.00 173.10 174.17 2kuq s VAL 37 N -2.81 1.43 0.14 1.40 1.01 -0.03 -1.18 120.40 120.35 2kuq s VAL 37 Ca 0.15 -1.08 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 2kuq s VAL 37 Cb -0.04 -1.68 -0.07 0.00 0.00 0.00 0.00 36.38 34.59 2kuq s VAL 37 CO 0.07 -0.05 0.65 -0.32 0.00 0.00 0.00 175.10 175.45 2kuq s MET 38 N 1.45 4.27 -0.09 2.72 1.75 0.12 -0.93 119.30 128.59 2kuq s MET 38 Ca -0.04 0.83 -0.04 0.00 -1.25 0.00 0.00 55.69 55.19 2kuq s MET 38 Cb -0.18 -3.12 0.05 0.00 2.84 0.00 0.00 34.83 34.41 2kuq s MET 38 CO -0.07 0.55 0.21 -2.00 -0.65 0.00 0.00 175.02 173.06 2kuq s GLU 39 N -1.42 0.16 -0.14 4.11 2.12 0.26 -0.67 118.70 123.12 2kuq s GLU 39 Ca 0.35 0.50 0.02 0.00 0.36 0.00 0.00 54.97 56.19 2kuq s GLU 39 Cb -0.19 -0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.06 2kuq s GLU 39 CO 0.21 -0.18 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.05 2kuq s LEU 40 N 1.38 2.33 0.00 2.70 1.02 -1.08 -0.31 118.68 124.72 2kuq s LEU 40 Ca -0.08 -0.51 0.01 0.00 0.02 0.00 0.00 54.13 53.57 2kuq s LEU 40 Cb -0.11 -1.51 0.01 0.00 0.02 0.00 0.00 46.19 44.60 2kuq s LEU 40 CO -0.08 0.11 0.07 0.35 0.02 0.00 0.00 176.35 176.83 2kuq n THR 41 N 3.89 0.00 1.85 5.49 -2.24 -1.13 -4.91 114.28 117.23 2kuq n THR 41 Ca -0.19 -2.45 0.07 0.00 -2.27 0.00 0.00 64.05 59.21 2kuq n THR 41 Cb 0.52 0.41 0.44 0.00 -2.10 0.00 0.00 70.33 69.60 2kuq n THR 41 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2kuq n GLN 42 N -1.40 0.92 0.00 -0.78 7.27 -1.26 -4.27 117.38 117.86 2kuq n GLN 42 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.89 2kuq n GLN 42 Cb 0.66 -1.25 0.00 0.00 2.41 0.00 0.00 30.24 32.06 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 -0.75 0.95 -3.81 1.69 7.64 -1.26 -5.14 113.62 112.94 2kuq n SER 43 Ca 0.11 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.93 2kuq n SER 43 Cb 0.05 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 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 1.56 -0.05 1.43 1.03 -1.26 -4.44 118.70 114.98 2kuq s GLU 44 Ca 0.00 -0.86 -0.29 0.00 0.03 0.00 0.00 54.97 53.85 2kuq s GLU 44 Cb 0.00 0.53 -0.02 0.00 -0.80 0.00 0.00 34.13 33.84 2kuq s GLU 44 CO 0.00 -0.71 0.96 -1.17 -1.33 0.00 0.00 175.26 173.01 2kuq s LEU 45 N -2.92 4.31 0.08 1.83 0.20 -0.63 -2.84 118.68 118.71 2kuq s LEU 45 Ca 0.11 1.55 0.10 0.00 0.69 0.00 0.00 54.13 56.58 2kuq s LEU 45 Cb -0.04 -3.51 -0.03 0.00 -0.43 0.00 0.00 46.19 42.18 2kuq s LEU 45 CO 0.05 -0.32 -0.26 -0.69 -0.29 0.00 0.00 176.35 174.83 2kuq s VAL 46 N 1.41 2.16 -0.18 1.68 1.01 0.57 -1.06 120.40 125.99 2kuq s VAL 46 Ca 0.49 -1.53 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 2kuq s VAL 46 Cb -0.20 -1.87 0.08 0.00 0.00 0.00 0.00 36.38 34.39 2kuq s VAL 46 CO 0.23 0.25 0.20 -0.22 0.00 0.00 0.00 175.10 175.56 2kuq s LEU 47 N -1.56 -0.07 -0.00 3.92 0.20 0.11 -0.57 118.68 120.71 2kuq s LEU 47 Ca 0.12 -0.16 -0.25 0.00 0.69 0.00 0.00 54.13 54.54 2kuq s LEU 47 Cb -0.10 0.32 -0.05 0.00 -0.43 0.00 0.00 46.19 45.94 2kuq s LEU 47 CO 0.04 -0.31 0.77 -1.00 -0.29 0.00 0.00 176.35 175.55 2kuq s HIS 48 N 2.31 3.67 0.13 5.38 3.76 -0.11 -0.65 115.29 129.78 2kuq s HIS 48 Ca 0.06 1.42 0.01 0.00 -0.15 0.00 0.00 55.06 56.39 2kuq s HIS 48 Cb -0.15 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 2kuq s HIS 48 CO -0.11 0.18 -0.01 -0.51 -0.85 0.00 0.00 174.74 173.44 2kuq s LEU 49 N 0.37 2.18 -0.02 0.89 1.43 -1.26 -0.85 118.68 121.41 2kuq s LEU 49 Ca 0.40 -1.12 0.19 0.00 -1.03 0.00 0.00 54.13 52.56 2kuq s LEU 49 Cb -0.20 0.05 -0.28 0.00 0.03 0.00 0.00 46.19 45.80 2kuq s LEU 49 CO 0.22 -0.58 0.47 1.41 0.23 0.00 0.00 176.35 178.09 2kuq n HIS 50 N -0.12 0.00 -0.05 0.29 8.25 -1.26 -4.50 115.22 117.83 2kuq n HIS 50 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.24 2kuq n HIS 50 Cb 0.62 -0.37 -0.07 0.00 1.12 0.00 0.00 29.99 31.29 2kuq n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kuq h ARG 51 N 0.00 0.32 -4.52 -0.41 2.47 -1.94 -3.48 114.38 106.83 2kuq h ARG 51 Ca 0.00 -0.18 -0.21 0.00 -1.26 0.00 0.00 59.98 58.33 2kuq h ARG 51 Cb 0.80 0.01 -0.15 0.00 -1.65 0.00 0.00 29.97 28.98 2kuq h ARG 51 CO 0.00 0.73 -0.65 -0.98 0.56 0.00 0.00 179.97 179.63 2kuq s ARG 52 N -4.25 0.99 0.73 0.04 1.70 -1.26 -4.84 118.95 112.05 2kuq s ARG 52 Ca -0.14 -1.48 -0.15 0.00 -0.47 0.00 0.00 55.73 53.49 2kuq s ARG 52 Cb 0.05 0.13 0.04 0.00 -0.57 0.00 0.00 34.95 34.59 2kuq s ARG 52 CO 0.75 -0.24 1.19 -1.21 -1.08 0.00 0.00 175.30 174.70 2kuq s GLU 53 N -4.03 2.21 0.11 3.89 2.02 -1.26 -4.21 118.70 117.43 2kuq s GLU 53 Ca 0.25 1.68 -0.34 0.00 0.02 0.00 0.00 54.97 56.58 2kuq s GLU 53 Cb 0.07 -1.85 -0.13 0.00 0.10 0.00 0.00 34.13 32.32 2kuq s GLU 53 CO 0.03 -1.76 1.65 0.00 0.02 0.00 0.00 175.26 175.20 2kuq n ALA 54 N -2.74 1.36 -2.63 5.21 0.00 -1.26 -4.76 120.51 115.68 2kuq n ALA 54 Ca 0.13 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.60 2kuq n ALA 54 Cb 0.51 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.50 2kuq n ALA 54 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kuq s VAL 55 N 1.62 5.19 -0.02 0.00 1.01 0.18 -4.89 120.40 123.48 2kuq s VAL 55 Ca 0.81 0.59 0.07 0.00 0.00 0.00 0.00 61.98 63.46 2kuq s VAL 55 Cb -0.67 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 2kuq s VAL 55 CO 0.40 0.57 -0.24 -0.13 0.00 0.00 0.00 175.10 175.70 2kuq s ARG 56 N -1.14 2.03 -0.19 2.72 3.00 -1.26 -0.71 118.95 123.40 2kuq s ARG 56 Ca 0.22 -0.87 -0.01 0.00 0.00 0.00 0.00 55.73 55.07 2kuq s ARG 56 Cb -0.15 -1.93 0.05 0.00 0.00 0.00 0.00 34.95 32.93 2kuq s ARG 56 CO 0.11 0.50 -0.02 -1.58 0.00 0.00 0.00 175.30 174.31 2kuq s TRP 57 N -0.51 1.57 0.33 -0.53 0.51 -0.23 -4.58 118.94 115.50 2kuq s TRP 57 Ca 0.08 -1.11 -0.29 0.00 -2.12 0.00 0.00 56.10 52.66 2kuq s TRP 57 Cb -0.10 -1.25 -0.10 0.00 -0.81 0.00 0.00 33.47 31.21 2kuq s TRP 57 CO -0.00 -0.64 1.26 -1.25 -0.51 0.00 0.00 176.95 175.81 2kuq s PRO 58 N 1.67 4.40 0.45 4.98 0.04 -1.26 -1.60 135.00 143.68 2kuq s PRO 58 Ca -0.01 2.11 0.17 0.00 0.04 0.00 0.00 61.00 63.31 2kuq s PRO 58 Cb -0.17 -3.07 1.07 0.00 0.04 0.00 0.00 34.50 32.37 2kuq s PRO 58 CO -0.07 -0.11 1.98 1.88 0.04 0.00 0.00 177.00 180.72 2kuq h TYR 59 N 3.42 0.00 0.00 0.56 0.05 -1.94 -0.89 116.97 118.17 2kuq h TYR 59 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 2kuq h TYR 59 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 2kuq h TYR 59 CO 0.56 0.20 0.00 1.37 -1.05 0.00 0.00 178.16 179.24 2kuq h LEU 60 N 0.00 0.00 -1.75 3.88 -0.00 -1.92 -1.88 115.31 113.65 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 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2kuq h LEU 60 CO 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.47 2kuq s LEU 62 N -1.77 4.19 0.16 0.00 1.43 -0.71 -0.97 118.68 121.01 2kuq s LEU 62 Ca 0.34 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.89 2kuq s LEU 62 Cb 0.21 -2.77 -0.00 0.00 0.03 0.00 0.00 46.19 43.66 2kuq s LEU 62 CO 0.30 -1.22 1.54 0.03 0.23 0.00 0.00 176.35 177.24 2kuq h ARG 63 N 9.31 0.99 -2.08 1.70 3.08 -1.83 -3.39 114.38 122.16 2kuq h ARG 63 Ca -0.26 -0.43 0.04 0.00 0.07 0.00 0.00 59.98 59.40 2kuq h ARG 63 Cb 1.07 -0.03 -0.18 0.00 0.08 0.00 0.00 29.97 30.91 2kuq h ARG 63 CO 1.09 1.10 0.40 -0.98 -1.07 0.00 0.00 179.97 180.50 2kuq s ARG 64 N -4.66 0.87 -0.08 0.04 1.70 -1.26 -2.45 118.95 113.11 2kuq s ARG 64 Ca -0.11 -0.04 -0.20 0.00 -0.47 0.00 0.00 55.73 54.91 2kuq s ARG 64 Cb 0.12 0.41 0.04 0.00 -0.57 0.00 0.00 34.95 34.95 2kuq s ARG 64 CO 0.87 -0.32 0.47 1.52 -1.08 0.00 0.00 175.30 176.76 2kuq s TYR 65 N -2.07 -0.43 0.31 5.89 -0.85 -0.66 -1.64 117.35 117.89 2kuq s TYR 65 Ca -0.02 0.86 -0.12 0.00 -0.52 0.00 0.00 57.07 57.27 2kuq s TYR 65 Cb -0.01 0.21 0.02 0.00 0.38 0.00 0.00 41.96 42.56 2kuq s TYR 65 CO -0.01 -0.41 0.59 0.20 -1.52 0.00 0.00 175.55 174.41 2kuq s GLY 66 N -0.75 0.63 0.05 5.49 0.00 0.36 -0.77 107.32 112.34 2kuq s GLY 66 Ca -0.08 -0.92 -0.24 0.00 0.00 0.00 0.00 44.72 43.48 2kuq s GLY 66 CO 0.05 -0.56 0.56 -2.52 0.00 0.00 0.00 173.10 170.63 2kuq s TYR 67 N -3.33 -0.48 0.09 1.90 1.13 -1.11 -1.56 117.35 114.00 2kuq s TYR 67 Ca 0.21 0.54 0.01 0.00 -1.41 0.00 0.00 57.07 56.42 2kuq s TYR 67 Cb -0.03 0.39 -0.00 0.00 -1.10 0.00 0.00 41.96 41.23 2kuq s TYR 67 CO 0.12 -0.68 0.03 -3.47 -2.51 0.00 0.00 175.55 169.04 2kuq n ASP 68 N 0.32 1.13 0.31 -0.18 -0.08 0.56 -3.46 116.55 115.15 2kuq n ASP 68 Ca -0.18 -1.48 0.21 0.00 -1.51 0.00 0.00 54.79 51.83 2kuq n ASP 68 Cb 0.61 0.21 1.05 0.00 2.34 0.00 0.00 41.12 45.33 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 0.35 0.00 0.00 1.67 0.87 -2.00 -3.23 113.55 111.20 2kuq h SER 69 Ca -0.07 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 2kuq h SER 69 Cb 0.27 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 2kuq h SER 69 CO 0.11 0.00 -0.16 -0.46 -0.53 0.00 0.00 176.83 175.80 2kuq n ASN 70 N -2.99 -0.10 -3.82 6.23 0.23 -1.26 -4.93 115.26 108.62 2kuq n ASN 70 Ca -0.02 -1.34 -0.12 0.00 -0.53 0.00 0.00 54.58 52.57 2kuq n ASN 70 Cb 0.12 -0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.69 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 1.40 -0.08 -4.53 2.96 -1.22 -1.07 118.68 116.14 2kuq s LEU 71 Ca 0.01 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 2kuq s LEU 71 Cb 0.01 0.47 0.01 0.00 0.50 0.00 0.00 46.19 47.18 2kuq s LEU 71 CO -0.01 -0.06 -0.18 0.12 -1.32 0.00 0.00 176.35 174.91 2kuq s PHE 72 N 0.17 1.95 0.02 5.38 5.36 -0.16 -0.32 117.98 130.37 2kuq s PHE 72 Ca -0.01 -0.74 -0.03 0.00 -0.96 0.00 0.00 56.93 55.19 2kuq s PHE 72 Cb -0.02 -1.35 -0.01 0.00 -0.34 0.00 0.00 43.02 41.30 2kuq s PHE 72 CO -0.00 -0.32 0.03 0.45 -1.46 0.00 0.00 175.22 173.92 2kuq s SER 73 N 0.45 0.17 0.20 6.13 0.15 -0.60 -0.97 113.70 119.22 2kuq s SER 73 Ca -0.15 -0.41 -0.19 0.00 0.70 0.00 0.00 55.95 55.90 2kuq s SER 73 Cb -0.16 0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.33 2kuq s SER 73 CO 0.06 -0.34 0.56 0.72 1.20 0.00 0.00 173.24 175.44 2kuq s PHE 74 N -1.53 -0.20 -0.13 3.44 -0.12 -0.83 -0.49 117.98 118.13 2kuq s PHE 74 Ca -0.15 -0.13 0.01 0.00 -0.05 0.00 0.00 56.93 56.61 2kuq s PHE 74 Cb -0.09 0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 42.75 2kuq s PHE 74 CO -0.00 -0.94 -0.16 -1.21 -0.05 0.00 0.00 175.22 172.86 2kuq s GLU 75 N -3.86 3.28 -0.07 1.99 2.02 -0.65 -1.74 118.70 119.66 2kuq s GLU 75 Ca 0.08 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.33 2kuq s GLU 75 Cb -0.02 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 2kuq s GLU 75 CO -0.04 0.16 -0.05 0.45 0.02 0.00 0.00 175.26 175.80 2kuq s SER 76 N 0.47 4.81 0.91 -0.19 0.15 -1.23 -2.88 113.70 115.74 2kuq s SER 76 Ca -0.11 0.02 -0.12 0.00 0.70 0.00 0.00 55.95 56.45 2kuq s SER 76 Cb -0.16 -1.25 0.14 0.00 -1.71 0.00 0.00 66.02 63.03 2kuq s SER 76 CO 0.05 0.37 1.09 -0.83 1.20 0.00 0.00 173.24 175.12 2kuq s GLY 77 N -0.83 1.61 0.12 9.45 0.00 -0.15 -3.63 107.32 113.89 2kuq s GLY 77 Ca 0.13 -0.13 0.07 0.00 0.00 0.00 0.00 44.72 44.79 2kuq s GLY 77 CO 0.02 0.38 1.14 -0.96 0.00 0.00 0.00 173.10 173.68 2kuq n ARG 78 N -3.92 0.04 0.00 2.90 1.85 -1.26 -2.25 116.66 114.03 2kuq n ARG 78 Ca 0.07 0.49 0.12 0.00 -1.00 0.00 0.00 57.85 57.53 2kuq n ARG 78 Cb 0.56 -1.74 0.17 0.00 -1.05 0.00 0.00 32.46 30.39 2kuq n ARG 78 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2kuq n ARG 79 N -1.69 2.02 -2.23 2.89 1.85 -1.26 -4.48 116.66 113.75 2kuq n ARG 79 Ca -0.00 -1.60 -0.26 0.00 -1.00 0.00 0.00 57.85 54.99 2kuq n ARG 79 Cb 0.11 -1.47 0.11 0.00 -1.05 0.00 0.00 32.46 30.16 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 -0.86 0.06 -0.01 0.00 4.15 -1.90 -2.75 115.11 113.81 2kuq h GLN 81 Ca -0.42 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2kuq h GLN 81 Cb 1.28 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.96 2kuq h GLN 81 CO 0.49 0.20 -0.35 0.25 -1.93 0.00 0.00 178.83 177.49 2kuq n THR 82 N -4.35 0.00 -1.64 2.39 -2.24 -1.26 -5.09 114.28 102.09 2kuq n THR 82 Ca -0.02 -0.20 0.04 0.00 -2.27 0.00 0.00 64.05 61.60 2kuq n THR 82 Cb 0.22 0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.02 3.72 3.38 0.00 -1.04 -4.85 105.19 105.75 2kuq n GLY 83 Ca 0.11 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.97 4.34 -0.23 1.61 0.74 -1.26 -4.70 119.66 119.18 2kuq s GLN 84 Ca 0.00 2.06 -0.35 0.00 0.05 0.00 0.00 55.36 57.12 2kuq s GLN 84 Cb 0.00 -3.24 0.15 0.00 1.10 0.00 0.00 33.01 31.02 2kuq s GLN 84 CO 0.00 -0.39 1.27 0.20 -0.55 0.00 0.00 175.29 175.82 2kuq s GLY 85 N 0.92 -0.22 -0.29 2.59 0.00 -1.24 -5.00 107.32 104.09 2kuq s GLY 85 Ca 0.63 1.85 -0.17 0.00 0.00 0.00 0.00 44.72 47.02 2kuq s GLY 85 CO 0.32 0.65 0.48 -0.42 0.00 0.00 0.00 173.10 174.13 2kuq s ILE 86 N -2.10 5.08 -0.18 0.90 1.01 -1.25 -3.47 121.20 121.18 2kuq s ILE 86 Ca 0.10 0.65 -0.03 0.00 0.00 0.00 0.00 60.65 61.37 2kuq s ILE 86 Cb -0.01 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 2kuq s ILE 86 CO -0.04 0.01 -0.06 -0.36 0.00 0.00 0.00 174.94 174.50 2kuq s PHE 87 N 2.28 2.95 -0.01 3.97 0.08 -0.71 -1.10 117.98 125.44 2kuq s PHE 87 Ca 0.19 -0.61 0.02 0.00 0.12 0.00 0.00 56.93 56.65 2kuq s PHE 87 Cb -0.16 -2.00 -0.00 0.00 -0.57 0.00 0.00 43.02 40.30 2kuq s PHE 87 CO 0.11 -0.27 -0.07 0.00 -0.10 0.00 0.00 175.22 174.88 2kuq s ALA 88 N 0.81 0.62 -0.02 5.36 0.00 -1.26 -1.96 121.76 125.30 2kuq s ALA 88 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2kuq s ALA 88 Cb -0.15 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.81 2kuq s ALA 88 CO 0.02 0.13 0.01 -0.06 0.00 0.00 0.00 175.76 175.86 2kuq s PHE 89 N -0.04 0.14 -0.04 0.00 0.40 -0.15 -2.90 117.98 115.40 2kuq s PHE 89 Ca 0.01 0.06 -0.29 0.00 -0.60 0.00 0.00 56.93 56.11 2kuq s PHE 89 Cb -0.04 -0.26 -0.03 0.00 0.51 0.00 0.00 43.02 43.20 2kuq s PHE 89 CO -0.00 -0.08 0.93 0.21 0.70 0.00 0.00 175.22 176.97 2kuq s LYS 90 N 0.83 4.50 -0.29 0.44 2.20 0.01 -0.98 119.74 126.45 2kuq s LYS 90 Ca -0.08 1.31 -0.15 0.00 -0.36 0.00 0.00 55.97 56.70 2kuq s LYS 90 Cb -0.11 -3.48 0.13 0.00 -1.51 0.00 0.00 37.83 32.87 2kuq s LYS 90 CO -0.02 -0.09 0.84 0.00 -0.36 0.00 0.00 175.35 175.72 2kuq h SER 92 N 7.03 0.00 -0.72 0.00 0.02 -1.88 -2.92 113.55 115.09 2kuq h SER 92 Ca -0.24 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.52 2kuq h SER 92 Cb 1.17 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.59 2kuq h SER 92 CO 0.14 0.13 0.25 0.54 -1.14 0.00 0.00 176.83 176.75 2kuq n ARG 93 N -3.59 3.77 0.06 3.45 1.74 -1.26 -4.65 116.66 116.18 2kuq n ARG 93 Ca -0.02 -2.99 0.15 0.00 -0.77 0.00 0.00 57.85 54.22 2kuq n ARG 93 Cb 0.26 -2.20 0.63 0.00 -1.02 0.00 0.00 32.46 30.13 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 2.80 2.25 -0.33 7.54 0.00 -1.84 -2.09 119.26 127.59 2kuq h ALA 94 Ca 0.24 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 2kuq h ALA 94 Cb 2.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 20.07 2kuq h ALA 94 CO 0.71 -0.36 -0.41 1.49 0.00 0.00 0.00 179.25 180.69 2kuq h GLU 95 N 0.09 0.86 -0.42 0.00 4.81 -1.84 -2.19 114.58 115.89 2kuq h GLU 95 Ca 0.18 -0.48 -0.11 0.00 -0.13 0.00 0.00 59.36 58.82 2kuq h GLU 95 Cb 0.62 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2kuq h GLU 95 CO -0.02 1.12 -0.17 0.93 -0.73 0.00 0.00 179.01 180.15 2kuq h GLU 96 N 0.65 0.80 -0.15 1.92 3.07 -1.77 0.14 114.58 119.25 2kuq h GLU 96 Ca 0.04 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.59 2kuq h GLU 96 Cb 1.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 2kuq h GLU 96 CO 0.10 0.91 0.05 0.82 -1.40 0.00 0.00 179.01 179.49 2kuq h ILE 97 N 0.71 1.18 -0.53 3.13 2.04 -1.39 -0.78 117.51 121.87 2kuq h ILE 97 Ca 0.11 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 2kuq h ILE 97 Cb 0.68 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2kuq h ILE 97 CO 0.05 0.17 0.33 0.15 0.00 0.00 0.00 178.15 178.85 2kuq h PHE 98 N 0.06 0.69 -0.23 1.37 3.57 -1.26 -0.08 116.94 121.07 2kuq h PHE 98 Ca 0.05 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 2kuq h PHE 98 Cb 0.23 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2kuq h PHE 98 CO -0.00 0.47 -0.19 -0.91 -2.23 0.00 0.00 178.31 175.45 2kuq h ASN 99 N 0.72 0.40 -0.11 0.41 2.35 -0.92 -2.05 115.58 116.37 2kuq h ASN 99 Ca 0.19 -0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.71 2kuq h ASN 99 Cb -0.03 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2kuq h ASN 99 CO -0.04 0.61 -0.41 0.25 -1.65 0.00 0.00 177.43 176.19 2kuq h LEU 100 N 0.37 0.54 -0.41 1.61 5.85 -0.89 -2.96 115.31 119.43 2kuq h LEU 100 Ca 0.06 -0.62 0.03 0.00 0.84 0.00 0.00 57.88 58.19 2kuq h LEU 100 Cb 0.55 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2kuq h LEU 100 CO 0.04 1.07 0.20 0.25 -0.34 0.00 0.00 178.44 179.66 2kuq h LEU 101 N 0.04 0.28 -1.27 2.25 5.85 -0.85 -2.19 115.31 119.43 2kuq h LEU 101 Ca -0.02 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2kuq h LEU 101 Cb 1.04 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2kuq h LEU 101 CO 0.09 0.21 -0.34 0.06 -0.34 0.00 0.00 178.44 178.11 2kuq h GLN 102 N 0.40 0.00 -0.50 1.25 -0.00 -1.48 -2.02 115.11 112.76 2kuq h GLN 102 Ca 0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.73 2kuq h GLN 102 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.55 2kuq h GLN 102 CO -0.13 0.34 -0.06 0.22 -0.00 0.00 0.00 178.83 179.21 2kuq h ASP 103 N 0.00 0.86 1.35 0.06 3.58 -1.23 -2.23 116.42 118.80 2kuq h ASP 103 Ca -0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2kuq h ASP 103 Cb 0.68 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2kuq h ASP 103 CO 0.04 0.96 0.00 0.18 -2.88 0.00 0.00 179.24 177.54 2kuq n LEU 104 N -4.18 0.63 0.10 2.28 4.77 -0.88 -1.34 117.00 118.38 2kuq n LEU 104 Ca 0.02 0.56 0.04 0.00 -0.03 0.00 0.00 56.01 56.60 2kuq n LEU 104 Cb 0.35 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2kuq n LEU 104 CO 0.43 -0.15 0.10 0.24 -1.33 0.00 0.00 177.39 176.68 2kuq h MET 105 N 0.00 0.00 0.00 3.23 2.86 -1.06 -3.40 114.93 116.56 2kuq h MET 105 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2kuq h MET 105 Cb 0.67 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2kuq h MET 105 CO 0.00 0.28 -0.70 -0.56 1.06 0.00 0.00 176.91 176.98 2kuq h GLN 106 N 0.00 0.00 -2.92 1.72 3.07 -1.21 -3.49 115.11 112.28 2kuq h GLN 106 Ca -0.07 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.50 2kuq h GLN 106 Cb 1.36 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.89 2kuq h GLN 106 CO 0.04 0.36 -0.18 0.00 0.09 0.00 0.00 178.83 179.13 2kuq n ASN 108 N -0.83 0.75 -0.02 0.00 2.85 -1.26 -5.06 115.26 111.69 2kuq n ASN 108 Ca -0.09 0.22 -0.00 0.00 -0.11 0.00 0.00 54.58 54.60 2kuq n ASN 108 Cb 0.42 -0.14 -0.00 0.00 1.24 0.00 0.00 39.78 41.30 2kuq n ASN 108 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2kuq n SER 109 N -3.45 -4.47 -4.33 1.20 7.64 -1.26 -4.98 113.62 103.97 2kuq n SER 109 Ca 0.00 0.01 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 2kuq n SER 109 Cb 0.00 -1.99 -0.06 0.00 -1.01 0.00 0.00 64.21 61.15 2kuq n SER 109 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kuq s ILE 110 N -1.53 5.21 -1.40 0.44 1.01 -1.26 -4.67 121.20 118.99 2kuq s ILE 110 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.28 2kuq s ILE 110 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.20 2kuq s ILE 110 CO 0.00 -0.78 0.00 0.59 0.00 0.00 0.00 174.94 174.75 2kuq n ASN 111 N 5.23 -4.39 -4.71 3.58 4.13 -1.26 -4.88 115.26 112.96 2kuq n ASN 111 Ca -0.13 0.21 -0.43 0.00 1.68 0.00 0.00 54.58 55.90 2kuq n ASN 111 Cb 0.41 -3.79 -0.03 0.00 -1.54 0.00 0.00 39.78 34.83 2kuq n ASN 111 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2kuq n VAL 112 N -3.08 0.19 -4.60 2.41 0.31 -1.26 -5.01 118.33 107.29 2kuq n VAL 112 Ca -0.17 -0.05 -0.25 0.00 -0.01 0.00 0.00 64.34 63.87 2kuq n VAL 112 Cb 0.59 -1.87 -0.14 0.00 -0.91 0.00 0.00 33.84 31.51 2kuq n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kuq s MET 113 N 0.80 1.31 0.48 5.55 0.23 -1.26 -5.14 119.30 121.27 2kuq s MET 113 Ca 0.74 -0.89 -0.10 0.00 -1.03 0.00 0.00 55.69 54.41 2kuq s MET 113 Cb -0.55 -1.40 -0.05 0.00 -1.53 0.00 0.00 34.83 31.30 2kuq s MET 113 CO 0.37 0.36 0.85 -1.83 -2.03 0.00 0.00 175.02 172.73 2kuq s GLU 114 N -1.13 3.71 0.06 3.16 1.03 -1.26 -5.12 118.70 119.15 2kuq s GLU 114 Ca 0.06 0.51 -0.20 0.00 0.03 0.00 0.00 54.97 55.37 2kuq s GLU 114 Cb -0.09 -2.30 0.05 0.00 -0.80 0.00 0.00 34.13 30.99 2kuq s GLU 114 CO 0.02 -0.21 0.48 -1.83 -1.33 0.00 0.00 175.26 172.38 2kuq s GLU 115 N -4.36 1.02 0.56 -4.83 -1.05 -1.26 -5.17 118.70 103.61 2kuq s GLU 115 Ca 0.52 -0.34 -0.17 0.00 -0.15 0.00 0.00 54.97 54.82 2kuq s GLU 115 Cb -0.10 0.46 -0.05 0.00 -0.44 0.00 0.00 34.13 33.99 2kuq s GLU 115 CO 0.39 -0.37 1.05 -1.25 0.95 0.00 0.00 175.26 176.03 2kuq s PRO 116 N -2.69 3.50 -0.03 -4.83 0.04 -1.26 -5.08 135.00 124.65 2kuq s PRO 116 Ca -0.04 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.24 2kuq s PRO 116 Cb -0.00 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2kuq s PRO 116 CO -0.04 -0.67 -0.02 0.08 0.04 0.00 0.00 177.00 176.39 2kuq s VAL 117 N -2.33 0.31 -0.18 -0.36 1.01 -1.26 -5.14 120.40 112.46 2kuq s VAL 117 Ca 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 2kuq s VAL 117 Cb -0.16 -0.35 0.05 0.00 0.00 0.00 0.00 36.38 35.93 2kuq s VAL 117 CO 0.32 0.15 0.00 -0.63 0.00 0.00 0.00 175.10 174.94 2kuq s ILE 118 N 0.73 0.75 -0.03 2.22 1.09 -1.26 -5.13 121.20 119.58 2kuq s ILE 118 Ca -0.08 -0.59 0.01 0.00 -1.10 0.00 0.00 60.65 58.89 2kuq s ILE 118 Cb -0.11 -1.13 0.02 0.00 -1.06 0.00 0.00 42.46 40.18 2kuq s ILE 118 CO -0.01 -0.08 -0.02 -0.63 -0.10 0.00 0.00 174.94 174.10 2kuq s ILE 119 N 1.77 0.35 0.30 2.92 1.01 -1.26 -5.14 121.20 121.14 2kuq s ILE 119 Ca -0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 2kuq s ILE 119 Cb -0.16 -0.40 -0.10 0.00 0.01 0.00 0.00 42.46 41.81 2kuq s ILE 119 CO -0.07 0.17 1.38 -0.89 0.00 0.00 0.00 174.94 175.53 2kuq s THR 120 N 0.84 2.64 -2.00 2.92 2.01 -1.26 -4.93 115.64 115.86 2kuq s THR 120 Ca -0.10 0.60 0.16 0.00 0.31 0.00 0.00 61.69 62.66 2kuq s THR 120 Cb -0.13 -3.38 0.45 0.00 0.01 0.00 0.00 72.50 69.45 2kuq s THR 120 CO -0.01 0.12 1.49 -1.54 -0.69 0.00 0.00 174.62 173.99 2kuq n SER 121 N 1.44 0.00 0.00 3.53 3.41 -1.26 -4.99 113.62 115.76 2kuq n SER 121 Ca 0.03 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 2kuq n SER 121 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.52 1.28 3.73 5.00 0.00 -1.26 -4.96 105.19 109.50 2kuq n GLY 122 Ca 0.12 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 2kuq n GLY 122 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kuq s SER 123 N -4.00 -0.27 -0.14 1.61 0.15 -1.26 -5.16 113.70 104.63 2kuq s SER 123 Ca 0.00 -0.57 -0.23 0.00 0.70 0.00 0.00 55.95 55.85 2kuq s SER 123 Cb 0.00 0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 64.96 2kuq s SER 123 CO 0.00 -1.24 0.73 -0.55 1.20 0.00 0.00 173.24 173.37 2kuq s SER 124 N -2.91 6.89 -0.21 5.45 0.15 -1.26 -5.03 113.70 116.77 2kuq s SER 124 Ca 0.11 1.08 -0.34 0.00 0.70 0.00 0.00 55.95 57.50 2kuq s SER 124 Cb -0.04 -2.41 0.15 0.00 -1.71 0.00 0.00 66.02 62.01 2kuq s SER 124 CO 0.04 -0.27 1.23 -0.83 1.20 0.00 0.00 173.24 174.61 2kuq s GLY 125 N 1.05 -0.20 0.63 9.45 0.00 -1.26 -5.18 107.32 111.80 2kuq s GLY 125 Ca 0.35 1.93 -0.08 0.00 0.00 0.00 0.00 44.72 46.92 2kuq s GLY 125 CO 0.14 0.72 0.98 -1.35 0.00 0.00 0.00 173.10 173.58 2kuq s SER 126 N -1.80 5.62 -0.05 1.64 1.04 -1.26 -5.11 113.70 113.78 2kuq s SER 126 Ca 0.08 0.93 -0.02 0.00 0.48 0.00 0.00 55.95 57.43 2kuq s SER 126 Cb -0.01 -1.88 0.03 0.00 0.10 0.00 0.00 66.02 64.26 2kuq s SER 126 CO -0.05 -1.13 0.05 -0.94 0.98 0.00 0.00 173.24 172.16 2kuq s SER 127 N -4.30 1.20 -0.13 7.02 1.04 -1.26 -5.14 113.70 112.12 2kuq s SER 127 Ca 0.55 0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.81 2kuq s SER 127 Cb -0.11 -0.20 -0.03 0.00 0.10 0.00 0.00 66.02 65.79 2kuq s SER 127 CO 0.48 -0.24 0.67 -0.83 0.98 0.00 0.00 173.24 174.31 2kuq s GLY 128 N 2.10 2.33 0.02 7.32 0.00 -1.26 -5.06 107.32 112.76 2kuq s GLY 128 Ca 0.05 -0.05 -0.19 0.00 0.00 0.00 0.00 44.72 44.52 2kuq s GLY 128 CO -0.03 1.25 0.43 -0.56 0.00 0.00 0.00 173.10 174.19 2kuq s SER 129 N 0.97 -0.33 0.07 1.64 0.01 -1.26 -5.19 113.70 109.61 2kuq s SER 129 Ca 0.33 0.14 -0.26 0.00 1.31 0.00 0.00 55.95 57.47 2kuq s SER 129 Cb -0.17 0.42 0.08 0.00 0.21 0.00 0.00 66.02 66.56 2kuq s SER 129 CO 0.14 -0.60 0.68 -0.55 0.41 0.00 0.00 173.24 173.31 2kuq s SER 130 N -1.71 -0.55 -0.24 2.44 0.15 -1.26 -5.16 113.70 107.38 2kuq s SER 130 Ca -0.08 0.20 -0.27 0.00 0.70 0.00 0.00 55.95 56.50 2kuq s SER 130 Cb -0.02 0.54 0.13 0.00 -1.71 0.00 0.00 66.02 64.96 2kuq s SER 130 CO 0.01 -0.80 1.03 -0.83 1.20 0.00 0.00 173.24 173.85 2kuq s GLY 131 N -2.25 -0.18 0.01 9.45 0.00 -1.26 -5.06 107.32 108.02 2kuq s GLY 131 Ca -0.02 2.46 0.24 0.00 0.00 0.00 0.00 44.72 47.41 2kuq s GLY 131 CO -0.06 1.54 1.32 -1.14 0.00 0.00 0.00 173.10 174.76 2kuq n SER 132 N 1.64 0.58 -3.21 1.64 3.41 -1.26 -5.00 113.62 111.43 2kuq n SER 132 Ca -0.12 -0.35 -0.02 0.00 -0.26 0.00 0.00 58.87 58.12 2kuq n SER 132 Cb 0.57 0.38 0.02 0.00 -0.26 0.00 0.00 64.21 64.91 2kuq n SER 132 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2kuq n SER 133 N -1.53 -1.57 0.00 4.04 2.88 -1.26 -5.14 113.62 111.04 2kuq n SER 133 Ca 0.05 -1.78 0.00 0.00 -1.33 0.00 0.00 58.87 55.81 2kuq n SER 133 Cb 0.34 2.54 0.00 0.00 -0.75 0.00 0.00 64.21 66.34 2kuq n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kuq n GLY 134 N -0.70 1.34 3.19 0.46 0.00 -1.26 -4.90 105.19 103.32 2kuq n GLY 134 Ca -0.01 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 1.98 -0.07 0.99 1.43 -1.26 -4.97 118.68 116.79 2kuq s LEU 135 Ca 0.00 -0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 52.40 2kuq s LEU 135 Cb 0.00 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 2kuq s LEU 135 CO 0.00 0.19 0.85 0.12 0.23 0.00 0.00 176.35 177.74 2kuq s PHE 136 N -0.02 3.57 -0.23 0.29 5.36 -1.26 -5.02 117.98 120.67 2kuq s PHE 136 Ca -0.05 1.44 -0.18 0.00 -0.96 0.00 0.00 56.93 57.18 2kuq s PHE 136 Cb -0.13 -2.99 -0.03 0.00 -0.34 0.00 0.00 43.02 39.53 2kuq s PHE 136 CO 0.03 -0.04 0.53 1.03 -1.46 0.00 0.00 175.22 175.32 2kuq s ARG 137 N 1.23 4.12 0.39 10.12 0.52 -1.26 -4.66 118.95 129.41 2kuq s ARG 137 Ca 0.44 0.38 -0.24 0.00 -0.52 0.00 0.00 55.73 55.79 2kuq s ARG 137 Cb -0.19 -3.61 -0.09 0.00 0.52 0.00 0.00 34.95 31.58 2kuq s ARG 137 CO 0.21 -0.27 1.02 -0.51 0.02 0.00 0.00 175.30 175.76 2kuq s LEU 138 N 2.05 4.16 0.27 2.53 1.43 -0.26 -4.89 118.68 123.97 2kuq s LEU 138 Ca 0.23 1.97 0.14 0.00 -1.03 0.00 0.00 54.13 55.44 2kuq s LEU 138 Cb -0.16 -4.18 0.04 0.00 0.03 0.00 0.00 46.19 41.92 2kuq s LEU 138 CO 0.09 -0.40 1.43 0.03 0.23 0.00 0.00 176.35 177.73 2kuq h ARG 139 N 2.57 0.00 -4.05 1.70 -0.00 -1.98 -3.34 114.38 109.29 2kuq h ARG 139 Ca -0.48 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 58.88 2kuq h ARG 139 Cb 1.21 0.00 -0.16 0.00 0.00 0.00 0.00 29.97 31.02 2kuq h ARG 139 CO 0.63 0.53 -0.60 -3.38 0.00 0.00 0.00 179.97 177.15 2kuq s HIS 140 N -2.94 0.36 -0.14 3.04 -3.43 -1.26 -5.06 115.29 105.86 2kuq s HIS 140 Ca 0.04 -0.81 -0.27 0.00 -0.80 0.00 0.00 55.06 53.22 2kuq s HIS 140 Cb 0.08 -0.26 -0.01 0.00 -1.43 0.00 0.00 32.58 30.95 2kuq s HIS 140 CO 0.75 -0.38 0.89 0.12 -2.00 0.00 0.00 174.74 174.12 2kuq s PHE 141 N -3.37 3.46 -0.02 0.38 5.36 -1.26 -4.98 117.98 117.54 2kuq s PHE 141 Ca 0.02 1.38 0.12 0.00 -0.96 0.00 0.00 56.93 57.49 2kuq s PHE 141 Cb 0.04 -3.07 -0.20 0.00 -0.34 0.00 0.00 43.02 39.45 2kuq s PHE 141 CO -0.08 -0.22 0.86 -1.00 -1.46 0.00 0.00 175.22 173.32 2kuq h PRO 142 N 7.21 0.00 -6.51 10.12 0.13 -2.00 -3.47 132.00 137.48 2kuq h PRO 142 Ca -0.30 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.30 2kuq h PRO 142 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2kuq h PRO 142 CO 0.84 0.58 0.33 0.00 -0.23 0.00 0.00 178.00 179.52 2kuq n GLY 144 N 2.34 -1.57 3.63 0.00 0.00 -1.26 -4.68 105.19 103.64 2kuq n GLY 144 Ca 0.02 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.93 5.23 -0.01 1.61 0.01 -1.22 -5.06 114.94 111.57 2kuq s ASN 145 Ca 0.11 0.07 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 2kuq s ASN 145 Cb 0.14 -1.66 0.01 0.00 0.41 0.00 0.00 41.25 40.15 2kuq s ASN 145 CO 0.54 0.29 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.71 2kuq s VAL 146 N -0.34 0.24 -0.01 1.60 1.01 -1.26 -2.73 120.40 118.91 2kuq s VAL 146 Ca 0.07 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.02 2kuq s VAL 146 Cb -0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 2kuq s VAL 146 CO 0.02 0.09 -0.16 0.21 0.00 0.00 0.00 175.10 175.26 2kuq s ASN 147 N 0.22 1.89 -0.09 3.32 2.47 0.05 -4.99 114.94 117.80 2kuq s ASN 147 Ca -0.02 -0.32 -0.12 0.00 0.42 0.00 0.00 52.86 52.83 2kuq s ASN 147 Cb -0.05 -0.20 -0.05 0.00 -1.45 0.00 0.00 41.25 39.50 2kuq s ASN 147 CO -0.01 0.18 0.28 -0.31 -3.72 0.00 0.00 177.10 173.53 2kuq s TYR 148 N -0.44 3.59 0.00 0.43 2.02 -1.26 -1.66 117.35 120.03 2kuq s TYR 148 Ca 0.06 0.71 0.00 0.00 -0.37 0.00 0.00 57.07 57.47 2kuq s TYR 148 Cb -0.06 -2.20 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 2kuq s TYR 148 CO -0.00 0.52 0.00 0.41 -1.57 0.00 0.00 175.55 174.91 2kuq n GLY 149 N 2.44 1.16 3.76 0.71 0.00 -1.03 -4.99 105.19 107.24 2kuq n GLY 149 Ca -0.15 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 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 1.30 2.48 0.30 1.61 2.02 -1.26 -5.02 117.35 118.78 2kuq s TYR 150 Ca 0.00 1.41 -0.07 0.00 -0.37 0.00 0.00 57.07 58.05 2kuq s TYR 150 Cb 0.00 -3.68 0.03 0.00 -0.40 0.00 0.00 41.96 37.90 2kuq s TYR 150 CO 0.00 -2.48 0.51 0.00 -1.57 0.00 0.00 175.55 172.01 2kuq n GLN 151 N -0.78 0.74 -3.59 -0.62 10.64 -1.26 -4.93 117.38 117.58 2kuq n GLN 151 Ca 0.09 -2.04 -0.41 0.00 -1.83 0.00 0.00 57.00 52.81 2kuq n GLN 151 Cb 0.46 2.21 -0.11 0.00 -0.86 0.00 0.00 30.24 31.94 2kuq n GLN 151 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2kuq s GLN 152 N -2.37 2.81 0.00 2.61 2.00 -1.26 -5.31 119.66 118.14 2kuq s GLN 152 Ca 0.18 -1.11 0.19 0.00 -2.00 0.00 0.00 55.36 52.63 2kuq s GLN 152 Cb -0.02 -3.75 0.15 0.00 0.80 0.00 0.00 33.01 30.19 2kuq s GLN 152 CO 0.13 -0.73 1.12 0.00 -0.50 0.00 0.00 175.29 175.31