#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kup n SER 2 N 0.00 1.32 -4.11 1.61 2.88 -1.26 -4.87 113.62 109.19 2kup n SER 2 Ca 0.00 -1.05 -0.29 0.00 -1.33 0.00 0.00 58.87 56.20 2kup n SER 2 Cb 0.00 0.42 -0.17 0.00 -0.75 0.00 0.00 64.21 63.71 2kup n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kup s SER 3 N -2.64 2.53 0.00 -3.46 0.01 -1.26 -5.12 113.70 103.76 2kup s SER 3 Ca 0.18 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2kup s SER 3 Cb 0.18 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.25 2kup s SER 3 CO 0.62 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.95 2kup n GLY 4 N 3.87 1.47 0.00 3.44 0.00 -1.26 -5.19 105.19 107.53 2kup n GLY 4 Ca -0.20 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2kup n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kup n SER 5 N 0.00 0.00 -3.74 1.61 2.88 -1.26 -5.20 113.62 107.91 2kup n SER 5 Ca 0.00 -0.34 -0.13 0.00 -1.33 0.00 0.00 58.87 57.07 2kup n SER 5 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2kup n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kup s SER 6 N 0.95 -0.39 0.00 -3.46 0.15 -1.26 -5.10 113.70 104.59 2kup s SER 6 Ca 0.00 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2kup s SER 6 Cb 0.00 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 2kup s SER 6 CO 0.00 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2kup n GLY 7 N 2.85 -1.52 3.89 9.45 0.00 -1.26 -5.08 105.19 113.52 2kup n GLY 7 Ca -0.13 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 2kup n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kup s LEU 8 N -0.22 4.24 0.00 0.99 1.02 -1.26 -4.99 118.68 118.46 2kup s LEU 8 Ca 0.00 0.72 0.00 0.00 0.02 0.00 0.00 54.13 54.87 2kup s LEU 8 Cb 0.00 -3.43 0.00 0.00 0.02 0.00 0.00 46.19 42.78 2kup s LEU 8 CO 0.00 0.01 0.00 -3.20 0.02 0.00 0.00 176.35 173.18 2kup n ASN 9 N 0.05 0.00 -4.77 2.29 2.85 -1.26 -5.11 115.26 109.32 2kup n ASN 9 Ca -0.02 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.11 2kup n ASN 9 Cb 0.52 0.05 0.02 0.00 1.24 0.00 0.00 39.78 41.61 2kup n ASN 9 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kup s ARG 10 N -1.38 3.11 0.31 1.20 1.70 -1.26 -4.96 118.95 117.67 2kup s ARG 10 Ca 0.00 1.56 0.00 0.00 -0.47 0.00 0.00 55.73 56.82 2kup s ARG 10 Cb 0.00 -1.98 0.00 0.00 -0.57 0.00 0.00 34.95 32.40 2kup s ARG 10 CO 0.00 -1.03 0.00 -3.47 -1.08 0.00 0.00 175.30 169.72 2kup n ASP 11 N -1.72 -1.73 -0.18 -2.89 2.03 -1.26 -4.98 116.55 105.83 2kup n ASP 11 Ca 0.11 0.57 0.03 0.00 0.52 0.00 0.00 54.79 56.02 2kup n ASP 11 Cb 0.51 1.75 0.01 0.00 -0.72 0.00 0.00 41.12 42.67 2kup n ASP 11 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kup n SER 12 N -3.29 1.19 -3.66 1.67 3.41 -1.26 -4.95 113.62 106.73 2kup n SER 12 Ca 0.00 -1.09 -0.09 0.00 -0.26 0.00 0.00 58.87 57.43 2kup n SER 12 Cb 0.00 0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 64.11 2kup n SER 12 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2kup s VAL 13 N -0.76 -0.61 0.50 -3.33 1.01 -1.26 -5.17 120.40 110.77 2kup s VAL 13 Ca 0.06 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.02 2kup s VAL 13 Cb 0.05 -0.65 -0.08 0.00 0.00 0.00 0.00 36.38 35.70 2kup s VAL 13 CO 0.11 0.07 1.00 -2.16 0.00 0.00 0.00 175.10 174.13 2kup s PRO 14 N 2.55 3.87 0.00 2.72 0.04 -1.26 -4.68 135.00 138.25 2kup s PRO 14 Ca -0.02 1.15 0.14 0.00 0.04 0.00 0.00 61.00 62.31 2kup s PRO 14 Cb -0.12 -2.12 0.76 0.00 0.04 0.00 0.00 34.50 33.06 2kup s PRO 14 CO -0.12 -0.35 1.29 -0.40 0.04 0.00 0.00 177.00 177.46 2kup n ASP 15 N -1.24 0.00 -1.38 6.66 5.75 -1.26 -3.23 116.55 121.84 2kup n ASP 15 Ca 0.08 -0.19 0.03 0.00 -0.01 0.00 0.00 54.79 54.70 2kup n ASP 15 Cb 0.53 -0.13 0.07 0.00 -1.03 0.00 0.00 41.12 40.57 2kup n ASP 15 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2kup n ASN 16 N -1.13 1.36 -4.74 -1.12 5.15 -1.26 -4.48 115.26 109.05 2kup n ASN 16 Ca 0.09 -2.57 -0.36 0.00 -0.60 0.00 0.00 54.58 51.14 2kup n ASN 16 Cb 0.07 -0.38 0.06 0.00 -0.53 0.00 0.00 39.78 39.00 2kup n ASN 16 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2kup s HIS 17 N -1.28 2.21 0.06 1.20 5.65 -1.20 -4.98 115.29 116.96 2kup s HIS 17 Ca 0.35 1.51 0.32 0.00 0.25 0.00 0.00 55.06 57.50 2kup s HIS 17 Cb 0.38 -3.58 1.27 0.00 -1.18 0.00 0.00 32.58 29.48 2kup s HIS 17 CO -0.13 -2.58 1.95 -1.00 -0.65 0.00 0.00 174.74 172.34 2kup h PRO 18 N 0.60 0.00 0.00 2.88 0.13 -1.99 -3.37 132.00 130.25 2kup h PRO 18 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kup h PRO 18 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2kup h PRO 18 CO 0.54 0.01 -0.69 0.25 -0.23 0.00 0.00 178.00 177.87 2kup n THR 19 N -3.11 0.00 -3.74 1.56 -2.24 -1.26 -5.03 114.28 100.47 2kup n THR 19 Ca 0.01 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.44 2kup n THR 19 Cb 0.33 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 2kup n THR 19 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kup s LYS 20 N -1.45 3.60 -0.05 -0.78 3.01 -1.26 -2.30 119.74 120.51 2kup s LYS 20 Ca 0.00 -0.05 -0.02 0.00 -1.01 0.00 0.00 55.97 54.89 2kup s LYS 20 Cb 0.00 -3.07 0.03 0.00 -1.01 0.00 0.00 37.83 33.79 2kup s LYS 20 CO 0.00 0.64 0.07 -0.06 0.51 0.00 0.00 175.35 176.50 2kup s PHE 21 N -1.31 0.07 0.19 3.18 0.40 0.31 -3.82 117.98 116.98 2kup s PHE 21 Ca 0.28 0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 56.53 2kup s PHE 21 Cb -0.13 -0.49 -0.08 0.00 0.51 0.00 0.00 43.02 42.82 2kup s PHE 21 CO 0.16 -0.22 1.21 0.15 0.70 0.00 0.00 175.22 177.22 2kup s LYS 22 N 2.17 4.49 0.19 0.44 1.02 -1.26 -0.70 119.74 126.09 2kup s LYS 22 Ca 0.05 1.89 -0.02 0.00 0.02 0.00 0.00 55.97 57.91 2kup s LYS 22 Cb -0.12 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 2kup s LYS 22 CO -0.04 -0.09 0.14 0.14 -0.92 0.00 0.00 175.35 174.58 2kup s VAL 23 N -0.09 0.01 -0.07 3.17 -7.23 -0.07 -4.76 120.40 111.35 2kup s VAL 23 Ca 0.53 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.73 2kup s VAL 23 Cb -0.33 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.24 2kup s VAL 23 CO 0.37 -0.06 0.13 -0.89 -0.31 0.00 0.00 175.10 174.34 2kup s THR 24 N -4.13 -0.19 0.20 5.32 2.01 -0.87 -0.81 115.64 117.17 2kup s THR 24 Ca 0.36 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 62.39 2kup s THR 24 Cb 0.07 -0.25 -0.09 0.00 0.01 0.00 0.00 72.50 72.24 2kup s THR 24 CO 0.10 0.14 1.34 0.21 -0.69 0.00 0.00 174.62 175.72 2kup s ASN 25 N 2.00 6.85 0.14 3.53 3.84 -0.07 -0.80 114.94 130.43 2kup s ASN 25 Ca 0.01 2.44 0.06 0.00 0.21 0.00 0.00 52.86 55.57 2kup s ASN 25 Cb -0.12 -2.61 -0.04 0.00 -0.55 0.00 0.00 41.25 37.93 2kup s ASN 25 CO -0.05 -0.56 -0.14 0.68 -2.79 0.00 0.00 177.10 174.23 2kup s VAL 26 N 0.17 1.42 0.02 -5.21 -7.23 -0.20 -1.67 120.40 107.71 2kup s VAL 26 Ca 0.58 -1.84 -0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2kup s VAL 26 Cb -0.37 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 34.91 2kup s VAL 26 CO 0.38 -0.46 0.02 -0.90 -0.31 0.00 0.00 175.10 173.84 2kup n ASP 27 N 0.32 0.01 0.30 4.85 5.75 -0.98 -4.47 116.55 122.34 2kup n ASP 27 Ca -0.14 -1.01 0.19 0.00 -0.01 0.00 0.00 54.79 53.82 2kup n ASP 27 Cb 0.58 -0.02 0.96 0.00 -1.03 0.00 0.00 41.12 41.61 2kup n ASP 27 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 2kup h ASP 28 N -0.02 0.00 -0.03 -1.12 2.03 -2.00 -2.32 116.42 112.96 2kup h ASP 28 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2kup h ASP 28 Cb 0.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 2kup h ASP 28 CO 0.01 0.03 -0.04 -0.62 -1.03 0.00 0.00 179.24 177.58 2kup n GLU 29 N -3.29 1.88 -0.90 4.15 1.02 -1.26 -4.98 120.64 117.26 2kup n GLU 29 Ca -0.02 -1.67 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 2kup n GLU 29 Cb 0.16 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2kup n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kup n GLY 30 N 1.20 0.50 3.77 0.62 0.00 -0.87 -5.05 105.19 105.36 2kup n GLY 30 Ca 0.12 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 2kup n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kup s VAL 31 N -2.00 3.51 -0.23 1.61 -7.23 -1.26 -4.73 120.40 110.06 2kup s VAL 31 Ca 0.00 1.22 -0.22 0.00 -1.81 0.00 0.00 61.98 61.17 2kup s VAL 31 Cb 0.00 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 2kup s VAL 31 CO 0.00 0.07 0.73 -1.61 -0.31 0.00 0.00 175.10 173.97 2kup s GLU 32 N -2.34 4.17 -0.17 4.82 2.02 -1.26 -2.31 118.70 123.63 2kup s GLU 32 Ca 0.56 0.76 -0.11 0.00 0.02 0.00 0.00 54.97 56.20 2kup s GLU 32 Cb -0.26 -3.63 -0.07 0.00 0.10 0.00 0.00 34.13 30.27 2kup s GLU 32 CO 0.32 -0.42 -0.25 1.28 0.02 0.00 0.00 175.26 176.21 2kup n LEU 33 N 5.68 1.48 -3.71 1.80 4.77 -0.67 -5.03 117.00 121.31 2kup n LEU 33 Ca 0.02 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 2kup n LEU 33 Cb 0.48 -0.60 -0.10 0.00 -2.33 0.00 0.00 43.42 40.88 2kup n LEU 33 CO 0.45 0.19 0.10 -0.83 -1.33 0.00 0.00 177.39 175.98 2kup s GLY 34 N -5.17 -0.33 0.35 -0.72 0.00 -1.24 -5.03 107.32 95.18 2kup s GLY 34 Ca -0.26 1.34 -0.18 0.00 0.00 0.00 0.00 44.72 45.62 2kup s GLY 34 CO 0.34 1.25 0.81 -0.45 0.00 0.00 0.00 173.10 175.05 2kup s SER 35 N 0.57 6.87 0.19 1.64 0.15 -1.26 -0.90 113.70 120.95 2kup s SER 35 Ca -0.03 1.44 -0.07 0.00 0.70 0.00 0.00 55.95 58.00 2kup s SER 35 Cb -0.04 -2.44 -0.02 0.00 -1.71 0.00 0.00 66.02 61.81 2kup s SER 35 CO -0.03 -0.24 0.26 -0.83 1.20 0.00 0.00 173.24 173.60 2kup s GLY 36 N -2.18 0.80 -0.18 9.45 0.00 0.01 -4.08 107.32 111.14 2kup s GLY 36 Ca 0.56 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 44.12 2kup s GLY 36 CO 0.16 -1.00 -0.20 0.14 0.00 0.00 0.00 173.10 172.20 2kup s VAL 37 N -4.04 2.01 -0.01 1.40 1.01 -0.05 -0.89 120.40 119.83 2kup s VAL 37 Ca 0.25 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 2kup s VAL 37 Cb 0.04 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 2kup s VAL 37 CO 0.05 0.53 0.27 -0.32 0.00 0.00 0.00 175.10 175.64 2kup s MET 38 N 1.29 3.62 -0.10 2.72 0.00 0.13 -0.90 119.30 126.05 2kup s MET 38 Ca 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 55.69 55.70 2kup s MET 38 Cb -0.13 -3.12 0.05 0.00 0.00 0.00 0.00 34.83 31.63 2kup s MET 38 CO -0.12 0.67 0.21 -2.00 0.00 0.00 0.00 175.02 173.78 2kup s GLU 39 N -1.52 0.14 -0.13 4.11 2.12 0.38 -0.53 118.70 123.27 2kup s GLU 39 Ca 0.25 0.54 -0.01 0.00 0.36 0.00 0.00 54.97 56.11 2kup s GLU 39 Cb -0.14 -0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.09 2kup s GLU 39 CO 0.13 -0.21 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.05 2kup s LEU 40 N 1.63 3.00 0.26 2.70 1.02 -0.97 -0.54 118.68 125.78 2kup s LEU 40 Ca -0.05 -0.19 0.01 0.00 0.02 0.00 0.00 54.13 53.92 2kup s LEU 40 Cb -0.11 -1.69 -0.05 0.00 0.02 0.00 0.00 46.19 44.36 2kup s LEU 40 CO -0.07 0.21 0.11 0.42 0.02 0.00 0.00 176.35 177.04 2kup s THR 41 N 0.10 0.44 -2.00 5.49 -4.23 -1.18 -4.87 115.64 109.39 2kup s THR 41 Ca -0.03 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.61 2kup s THR 41 Cb -0.14 -2.59 0.38 0.00 1.34 0.00 0.00 72.50 71.48 2kup s THR 41 CO 0.04 0.00 1.22 0.00 -0.54 0.00 0.00 174.62 175.33 2kup n GLN 42 N -0.47 0.42 -0.11 3.99 6.02 -1.26 -3.63 117.38 122.33 2kup n GLN 42 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 2kup n GLN 42 Cb 0.66 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.35 2kup n GLN 42 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kup n SER 43 N -1.00 1.68 -3.66 1.08 2.88 -1.26 -4.64 113.62 108.70 2kup n SER 43 Ca 0.10 0.29 0.01 0.00 -1.33 0.00 0.00 58.87 57.94 2kup n SER 43 Cb 0.05 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 2kup n SER 43 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2kup s GLU 44 N -2.50 0.47 -0.28 -1.46 4.04 -1.24 -4.60 118.70 113.13 2kup s GLU 44 Ca -0.31 -0.28 -0.24 0.00 0.04 0.00 0.00 54.97 54.19 2kup s GLU 44 Cb 0.11 0.15 -0.00 0.00 0.02 0.00 0.00 34.13 34.40 2kup s GLU 44 CO 0.40 -0.22 0.79 -0.51 -1.84 0.00 0.00 175.26 173.89 2kup s LEU 45 N -3.23 4.08 -0.07 1.83 1.43 -0.88 -3.11 118.68 118.72 2kup s LEU 45 Ca 0.19 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2kup s LEU 45 Cb 0.03 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 2kup s LEU 45 CO -0.02 -0.56 -0.06 -0.69 0.23 0.00 0.00 176.35 175.25 2kup s VAL 46 N 2.89 3.82 -0.03 -1.59 1.01 0.30 -1.32 120.40 125.47 2kup s VAL 46 Ca 0.33 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2kup s VAL 46 Cb -0.15 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.69 2kup s VAL 46 CO 0.10 0.60 0.04 -0.22 0.00 0.00 0.00 175.10 175.62 2kup s LEU 47 N -0.83 0.62 -0.06 3.92 1.98 0.16 -0.47 118.68 124.00 2kup s LEU 47 Ca 0.13 0.05 0.04 0.00 -2.89 0.00 0.00 54.13 51.45 2kup s LEU 47 Cb -0.11 -0.13 -0.02 0.00 0.66 0.00 0.00 46.19 46.59 2kup s LEU 47 CO 0.02 -0.19 -0.17 -1.00 -1.89 0.00 0.00 176.35 173.12 2kup s HIS 48 N 1.62 2.65 0.23 5.38 3.76 -0.08 -0.31 115.29 128.55 2kup s HIS 48 Ca -0.02 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2kup s HIS 48 Cb -0.13 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 2kup s HIS 48 CO -0.03 0.03 0.10 -0.51 -0.85 0.00 0.00 174.74 173.48 2kup s LEU 49 N -0.42 1.48 0.00 0.89 1.02 -1.26 -0.87 118.68 119.53 2kup s LEU 49 Ca 0.05 -1.37 0.21 0.00 0.02 0.00 0.00 54.13 53.03 2kup s LEU 49 Cb -0.12 0.16 -0.09 0.00 0.02 0.00 0.00 46.19 46.15 2kup s LEU 49 CO 0.02 -0.76 0.97 0.00 0.02 0.00 0.00 176.35 176.59 2kup n HIS 50 N -0.37 0.00 -1.10 0.29 1.44 -1.26 -4.50 115.22 109.72 2kup n HIS 50 Ca 0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 2kup n HIS 50 Cb 0.66 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.78 2kup n HIS 50 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2kup n ARG 51 N -0.62 0.60 -3.48 -1.40 5.12 -1.26 -5.09 116.66 110.53 2kup n ARG 51 Ca 0.07 -0.97 -0.16 0.00 -1.93 0.00 0.00 57.85 54.86 2kup n ARG 51 Cb 0.39 -0.67 -0.04 0.00 -1.16 0.00 0.00 32.46 30.98 2kup n ARG 51 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2kup s ARG 52 N -0.41 1.14 0.97 5.56 6.06 -1.26 -5.18 118.95 125.82 2kup s ARG 52 Ca 0.03 -0.03 -0.11 0.00 -2.50 0.00 0.00 55.73 53.12 2kup s ARG 52 Cb 0.02 0.53 0.17 0.00 0.06 0.00 0.00 34.95 35.74 2kup s ARG 52 CO 0.00 -0.42 1.09 -1.21 -2.50 0.00 0.00 175.30 172.26 2kup s GLU 53 N -2.19 0.64 0.29 5.12 0.41 -1.26 -4.26 118.70 117.46 2kup s GLU 53 Ca -0.06 1.03 -0.30 0.00 -0.41 0.00 0.00 54.97 55.23 2kup s GLU 53 Cb -0.00 -1.72 -0.12 0.00 -1.78 0.00 0.00 34.13 30.51 2kup s GLU 53 CO 0.01 -2.72 1.61 0.00 -0.49 0.00 0.00 175.26 173.67 2kup n ALA 54 N -4.24 2.61 -3.07 5.21 0.00 -1.26 -4.65 120.51 115.11 2kup n ALA 54 Ca 0.07 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.56 2kup n ALA 54 Cb 0.54 -2.47 -0.15 0.00 0.00 0.00 0.00 19.45 17.37 2kup n ALA 54 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kup s VAL 55 N 0.06 2.72 0.00 0.00 1.01 0.58 -4.97 120.40 119.79 2kup s VAL 55 Ca 0.64 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2kup s VAL 55 Cb -0.49 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 2kup s VAL 55 CO 0.48 0.54 -0.18 -0.13 0.00 0.00 0.00 175.10 175.80 2kup s ARG 56 N 0.26 1.43 -0.16 2.72 3.00 -1.26 -0.67 118.95 124.27 2kup s ARG 56 Ca -0.12 -0.71 -0.02 0.00 0.00 0.00 0.00 55.73 54.88 2kup s ARG 56 Cb -0.16 -1.41 0.05 0.00 0.00 0.00 0.00 34.95 33.43 2kup s ARG 56 CO 0.06 0.38 0.03 -1.58 0.00 0.00 0.00 175.30 174.19 2kup s TRP 57 N -0.52 0.91 0.29 -0.53 0.51 -0.44 -4.14 118.94 115.02 2kup s TRP 57 Ca 0.07 -0.66 -0.29 0.00 -2.12 0.00 0.00 56.10 53.10 2kup s TRP 57 Cb -0.07 -0.96 -0.10 0.00 -0.81 0.00 0.00 33.47 31.53 2kup s TRP 57 CO -0.00 -0.53 1.30 -1.25 -0.51 0.00 0.00 176.95 175.95 2kup s PRO 58 N 1.90 4.39 0.54 4.98 0.04 -1.26 -2.07 135.00 143.51 2kup s PRO 58 Ca 0.01 2.14 0.20 0.00 0.04 0.00 0.00 61.00 63.39 2kup s PRO 58 Cb -0.16 -3.12 1.43 0.00 0.04 0.00 0.00 34.50 32.70 2kup s PRO 58 CO -0.07 -0.18 2.18 1.88 0.04 0.00 0.00 177.00 180.85 2kup h TYR 59 N 4.03 0.00 -0.34 0.56 0.05 -1.96 -1.96 116.97 117.34 2kup h TYR 59 Ca -0.47 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.23 2kup h TYR 59 Cb 1.22 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.94 2kup h TYR 59 CO 0.58 0.01 -0.12 1.25 -1.05 0.00 0.00 178.16 178.83 2kup h LEU 60 N 0.00 0.57 -1.34 3.88 5.85 -1.95 -3.09 115.31 119.22 2kup h LEU 60 Ca -0.00 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2kup h LEU 60 Cb 0.02 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2kup h LEU 60 CO 0.00 0.72 0.00 0.00 -0.34 0.00 0.00 178.44 178.82 2kup s LEU 62 N -1.67 4.11 0.27 0.00 1.43 -1.17 -2.50 118.68 119.14 2kup s LEU 62 Ca 0.34 1.35 0.18 0.00 -1.03 0.00 0.00 54.13 54.98 2kup s LEU 62 Cb 0.19 -3.50 0.08 0.00 0.03 0.00 0.00 46.19 42.99 2kup s LEU 62 CO 0.29 -0.63 1.32 0.03 0.23 0.00 0.00 176.35 177.58 2kup h ARG 63 N 7.44 0.00 -1.19 1.70 3.08 -1.40 -3.48 114.38 120.53 2kup h ARG 63 Ca -0.21 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.01 2kup h ARG 63 Cb 1.07 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.81 2kup h ARG 63 CO 0.96 0.28 0.79 0.50 -1.07 0.00 0.00 179.97 181.43 2kup s ARG 64 N -3.07 0.16 -0.23 0.04 3.52 -1.25 -5.00 118.95 113.12 2kup s ARG 64 Ca 0.03 0.18 -0.03 0.00 -0.13 0.00 0.00 55.73 55.78 2kup s ARG 64 Cb 0.07 0.08 0.10 0.00 -1.56 0.00 0.00 34.95 33.65 2kup s ARG 64 CO 0.75 -0.02 0.22 1.52 -0.81 0.00 0.00 175.30 176.96 2kup s TYR 65 N 0.02 -0.24 0.34 5.12 1.13 -1.26 -1.44 117.35 121.02 2kup s TYR 65 Ca 0.06 -0.02 0.08 0.00 -1.41 0.00 0.00 57.07 55.79 2kup s TYR 65 Cb -0.05 -0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 40.31 2kup s TYR 65 CO -0.13 -0.70 0.10 0.20 -2.51 0.00 0.00 175.55 172.50 2kup s GLY 66 N 2.30 2.00 0.03 5.49 0.00 0.27 -5.00 107.32 112.42 2kup s GLY 66 Ca 0.08 -1.88 -0.15 0.00 0.00 0.00 0.00 44.72 42.76 2kup s GLY 66 CO -0.20 -1.81 0.34 -2.52 0.00 0.00 0.00 173.10 168.91 2kup s TYR 67 N -2.46 -0.16 0.00 1.90 1.13 -1.26 -1.88 117.35 114.61 2kup s TYR 67 Ca 0.37 0.09 0.00 0.00 -1.41 0.00 0.00 57.07 56.12 2kup s TYR 67 Cb -0.01 0.13 0.00 0.00 -1.10 0.00 0.00 41.96 40.98 2kup s TYR 67 CO 0.22 -0.51 0.00 -3.47 -2.51 0.00 0.00 175.55 169.28 2kup n ASP 68 N 0.66 0.00 0.05 -0.18 -0.08 0.17 -5.00 116.55 112.17 2kup n ASP 68 Ca -0.19 -0.90 0.08 0.00 -1.51 0.00 0.00 54.79 52.27 2kup n ASP 68 Cb 0.59 0.00 0.35 0.00 2.34 0.00 0.00 41.12 44.40 2kup n ASP 68 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2kup n SER 69 N -2.25 0.24 -0.04 1.67 2.88 -1.26 -3.81 113.62 111.04 2kup n SER 69 Ca 0.00 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 2kup n SER 69 Cb 0.00 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 2kup n SER 69 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2kup n ASN 70 N -1.77 0.00 -3.80 -3.46 6.94 -1.26 -4.85 115.26 107.06 2kup n ASN 70 Ca 0.03 -1.01 -0.14 0.00 -0.02 0.00 0.00 54.58 53.44 2kup n ASN 70 Cb 0.17 -0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.44 2kup n ASN 70 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2kup s LEU 71 N 0.00 1.30 -0.02 -4.53 1.98 -1.25 -1.35 118.68 114.81 2kup s LEU 71 Ca 0.00 0.07 0.05 0.00 -2.89 0.00 0.00 54.13 51.36 2kup s LEU 71 Cb 0.00 0.03 -0.01 0.00 0.66 0.00 0.00 46.19 46.87 2kup s LEU 71 CO 0.00 -0.09 -0.17 0.12 -1.89 0.00 0.00 176.35 174.31 2kup s PHE 72 N 0.75 1.62 0.02 5.38 5.36 -0.28 -0.65 117.98 130.18 2kup s PHE 72 Ca -0.06 -0.36 -0.19 0.00 -0.96 0.00 0.00 56.93 55.36 2kup s PHE 72 Cb -0.09 -1.06 0.04 0.00 -0.34 0.00 0.00 43.02 41.57 2kup s PHE 72 CO -0.02 -0.07 0.42 0.45 -1.46 0.00 0.00 175.22 174.53 2kup s SER 73 N -0.26 -0.30 0.10 6.13 0.15 -0.79 -0.44 113.70 118.28 2kup s SER 73 Ca 0.03 0.11 -0.17 0.00 0.70 0.00 0.00 55.95 56.62 2kup s SER 73 Cb -0.08 0.41 0.04 0.00 -1.71 0.00 0.00 66.02 64.67 2kup s SER 73 CO 0.00 -0.60 0.41 0.72 1.20 0.00 0.00 173.24 174.97 2kup s PHE 74 N -2.03 -0.24 -0.08 3.44 -0.12 -1.06 -0.56 117.98 117.33 2kup s PHE 74 Ca -0.08 0.02 0.03 0.00 -0.05 0.00 0.00 56.93 56.85 2kup s PHE 74 Cb -0.02 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 2kup s PHE 74 CO 0.01 -0.66 -0.16 -2.00 -0.05 0.00 0.00 175.22 172.36 2kup s GLU 75 N -3.33 2.87 0.16 1.99 2.12 -0.52 -1.98 118.70 120.01 2kup s GLU 75 Ca -0.00 -0.73 0.11 0.00 0.36 0.00 0.00 54.97 54.71 2kup s GLU 75 Cb 0.01 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.91 2kup s GLU 75 CO -0.09 0.42 -0.25 -1.54 -0.54 0.00 0.00 175.26 173.27 2kup s SER 76 N -0.21 3.34 0.52 -1.70 1.04 -0.71 -1.04 113.70 114.95 2kup s SER 76 Ca -0.00 -0.82 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 2kup s SER 76 Cb -0.13 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2kup s SER 76 CO 0.03 0.14 0.79 -0.83 0.98 0.00 0.00 173.24 174.35 2kup s GLY 77 N -2.41 1.59 0.00 7.32 0.00 -1.04 -3.20 107.32 109.58 2kup s GLY 77 Ca 0.18 -0.85 0.09 0.00 0.00 0.00 0.00 44.72 44.13 2kup s GLY 77 CO 0.08 -0.63 1.26 -0.96 0.00 0.00 0.00 173.10 172.86 2kup n ARG 78 N -2.34 0.02 0.02 2.90 1.85 -1.26 -2.39 116.66 115.47 2kup n ARG 78 Ca 0.03 0.32 0.13 0.00 -1.00 0.00 0.00 57.85 57.33 2kup n ARG 78 Cb 0.57 -1.50 0.39 0.00 -1.05 0.00 0.00 32.46 30.87 2kup n ARG 78 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2kup n ARG 79 N -1.46 0.09 -0.99 2.89 1.85 -1.26 -4.42 116.66 113.35 2kup n ARG 79 Ca 0.03 0.04 -0.29 0.00 -1.00 0.00 0.00 57.85 56.63 2kup n ARG 79 Cb 0.10 -1.57 0.22 0.00 -1.05 0.00 0.00 32.46 30.16 2kup n ARG 79 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kup h GLN 81 N -2.39 1.06 0.00 0.00 4.15 -1.91 -2.83 115.11 113.19 2kup h GLN 81 Ca -0.51 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 58.75 2kup h GLN 81 Cb 1.32 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 2kup h GLN 81 CO 0.46 0.70 -1.21 0.25 -1.93 0.00 0.00 178.83 177.10 2kup n THR 82 N -4.55 0.92 -3.94 2.39 -2.24 -1.26 -5.08 114.28 100.51 2kup n THR 82 Ca 0.14 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2kup n THR 82 Cb 0.18 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 2kup n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kup n GLY 83 N 1.29 -0.17 3.76 3.38 0.00 -1.07 -4.92 105.19 107.46 2kup n GLY 83 Ca -0.05 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 2kup n GLY 83 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kup s GLN 84 N 0.00 4.56 0.00 1.61 -2.07 -1.23 -4.22 119.66 118.31 2kup s GLN 84 Ca 0.00 1.70 0.00 0.00 -1.82 0.00 0.00 55.36 55.24 2kup s GLN 84 Cb 0.00 -3.05 0.00 0.00 -1.09 0.00 0.00 33.01 28.87 2kup s GLN 84 CO 0.00 0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.55 2kup n GLY 85 N 1.03 1.90 3.29 2.60 0.00 -1.19 -4.98 105.19 107.83 2kup n GLY 85 Ca 0.00 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 2kup n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kup s ILE 86 N -1.99 2.34 -0.09 -0.61 1.01 -1.26 -1.74 121.20 118.86 2kup s ILE 86 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2kup s ILE 86 Cb 0.00 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.60 2kup s ILE 86 CO 0.00 0.56 -0.08 -0.36 0.00 0.00 0.00 174.94 175.06 2kup s PHE 87 N 0.01 1.32 -0.04 3.97 0.08 -0.84 -5.00 117.98 117.48 2kup s PHE 87 Ca -0.08 -0.57 0.05 0.00 0.12 0.00 0.00 56.93 56.45 2kup s PHE 87 Cb -0.15 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.19 2kup s PHE 87 CO 0.05 -0.40 -0.18 0.00 -0.10 0.00 0.00 175.22 174.59 2kup s ALA 88 N 1.36 2.50 -0.05 5.36 0.00 -1.26 -2.58 121.76 127.09 2kup s ALA 88 Ca -0.02 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 2kup s ALA 88 Cb -0.14 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.18 2kup s ALA 88 CO -0.04 0.55 0.01 -0.06 0.00 0.00 0.00 175.76 176.22 2kup s PHE 89 N -0.69 0.47 0.18 0.00 0.40 0.42 -1.03 117.98 117.73 2kup s PHE 89 Ca 0.11 -0.05 -0.30 0.00 -0.60 0.00 0.00 56.93 56.09 2kup s PHE 89 Cb -0.10 -0.61 -0.08 0.00 0.51 0.00 0.00 43.02 42.73 2kup s PHE 89 CO 0.00 -0.23 1.30 0.15 0.70 0.00 0.00 175.22 177.14 2kup s LYS 90 N 1.59 4.39 -0.29 0.44 1.02 0.02 -1.12 119.74 125.80 2kup s LYS 90 Ca -0.01 2.03 -0.17 0.00 0.02 0.00 0.00 55.97 57.84 2kup s LYS 90 Cb -0.13 -3.21 0.12 0.00 -0.52 0.00 0.00 37.83 34.10 2kup s LYS 90 CO -0.03 -0.26 0.89 0.00 -0.92 0.00 0.00 175.35 175.04 2kup h SER 92 N 6.22 0.00 -0.52 0.00 0.87 -1.86 -3.19 113.55 115.08 2kup h SER 92 Ca -0.29 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.02 2kup h SER 92 Cb 1.20 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.01 2kup h SER 92 CO 0.18 0.23 0.11 0.54 -0.53 0.00 0.00 176.83 177.36 2kup n ARG 93 N -3.76 2.04 -0.29 2.24 1.74 -1.26 -4.74 116.66 112.63 2kup n ARG 93 Ca -0.01 -3.13 0.22 0.00 -0.77 0.00 0.00 57.85 54.15 2kup n ARG 93 Cb 0.33 -1.92 0.52 0.00 -1.02 0.00 0.00 32.46 30.37 2kup n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kup h ALA 94 N 1.09 2.27 -0.29 7.54 0.00 -1.83 -1.14 119.26 126.90 2kup h ALA 94 Ca 0.31 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 2kup h ALA 94 Cb 1.97 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 2kup h ALA 94 CO 0.57 -0.62 -0.45 1.49 0.00 0.00 0.00 179.25 180.24 2kup h GLU 95 N 0.38 0.74 -0.43 0.00 4.81 -1.85 -1.24 114.58 116.99 2kup h GLU 95 Ca 0.54 -0.41 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2kup h GLU 95 Cb 1.41 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.80 2kup h GLU 95 CO -0.23 1.04 -0.08 0.93 -0.73 0.00 0.00 179.01 179.94 2kup h GLU 96 N 0.59 0.75 -0.09 1.92 5.08 -1.61 0.21 114.58 121.42 2kup h GLU 96 Ca 0.04 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2kup h GLU 96 Cb 1.01 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 2kup h GLU 96 CO 0.10 0.81 0.05 0.82 -1.00 0.00 0.00 179.01 179.79 2kup h ILE 97 N 0.69 1.10 -0.78 3.13 2.04 -1.27 -0.56 117.51 121.86 2kup h ILE 97 Ca 0.12 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2kup h ILE 97 Cb 0.53 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 2kup h ILE 97 CO 0.03 0.08 0.43 0.15 0.00 0.00 0.00 178.15 178.84 2kup h PHE 98 N 0.05 1.05 -0.09 1.37 3.57 -0.95 0.89 116.94 122.84 2kup h PHE 98 Ca 0.03 -0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 2kup h PHE 98 Cb 0.09 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 2kup h PHE 98 CO -0.04 0.73 -0.73 -0.91 -2.23 0.00 0.00 178.31 175.13 2kup h ASN 99 N 1.08 0.52 0.45 0.41 2.35 -0.91 -3.23 115.58 116.26 2kup h ASN 99 Ca 0.27 -0.34 -0.22 0.00 -0.55 0.00 0.00 56.30 55.47 2kup h ASN 99 Cb 0.02 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 2kup h ASN 99 CO -0.05 1.08 -0.93 0.25 -1.65 0.00 0.00 177.43 176.14 2kup h LEU 100 N 0.30 0.42 0.45 1.61 5.85 -0.71 -3.18 115.31 120.04 2kup h LEU 100 Ca -0.03 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 2kup h LEU 100 Cb 1.30 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 2kup h LEU 100 CO 0.13 1.15 -0.50 -0.07 -0.34 0.00 0.00 178.44 178.80 2kup h LEU 101 N 0.17 -1.38 -2.45 2.25 3.38 -0.89 -2.48 115.31 113.91 2kup h LEU 101 Ca -0.07 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kup h LEU 101 Cb 1.57 0.46 -0.00 0.00 0.09 0.00 0.00 40.66 42.78 2kup h LEU 101 CO 0.15 -0.65 -0.02 0.06 0.09 0.00 0.00 178.44 178.08 2kup h GLN 102 N -0.96 0.00 0.00 1.13 3.07 -1.67 0.14 115.11 116.81 2kup h GLN 102 Ca -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.57 2kup h GLN 102 Cb 0.85 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.40 2kup h GLN 102 CO -0.09 0.02 -0.56 -0.44 0.09 0.00 0.00 178.83 177.85 2kup h ASP 103 N 0.00 0.00 0.11 0.06 3.32 -1.43 -2.92 116.42 115.56 2kup h ASP 103 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 2kup h ASP 103 Cb 0.05 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 2kup h ASP 103 CO 0.00 0.56 -2.22 0.18 -1.72 0.00 0.00 179.24 176.03 2kup n LEU 104 N -3.79 1.72 0.16 1.55 4.77 -0.53 -4.36 117.00 116.52 2kup n LEU 104 Ca -0.01 0.07 0.01 0.00 -0.03 0.00 0.00 56.01 56.04 2kup n LEU 104 Cb 0.58 -0.37 0.27 0.00 -2.33 0.00 0.00 43.42 41.56 2kup n LEU 104 CO 0.41 0.71 0.61 0.24 -1.33 0.00 0.00 177.39 178.03 2kup h MET 105 N 0.02 0.00 0.00 3.23 2.86 -0.89 -2.49 114.93 117.66 2kup h MET 105 Ca -0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 2kup h MET 105 Cb 2.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.71 2kup h MET 105 CO 0.01 0.49 0.00 0.00 1.06 0.00 0.00 176.91 178.47 2kup n GLN 106 N -3.94 0.14 0.16 1.72 10.64 -1.10 -3.12 117.38 121.87 2kup n GLN 106 Ca -0.01 0.34 0.04 0.00 -1.83 0.00 0.00 57.00 55.53 2kup n GLN 106 Cb 0.51 -1.75 0.15 0.00 -0.86 0.00 0.00 30.24 28.29 2kup n GLN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kup n ASN 108 N -3.32 -5.03 -4.66 0.00 3.02 -1.18 -4.84 115.26 99.25 2kup n ASN 108 Ca 0.01 -0.49 -0.50 0.00 -0.03 0.00 0.00 54.58 53.57 2kup n ASN 108 Cb 0.65 -4.06 -0.05 0.00 -0.61 0.00 0.00 39.78 35.71 2kup n ASN 108 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2kup n SER 109 N -2.59 2.71 -3.90 6.41 2.88 -1.26 -4.91 113.62 112.97 2kup n SER 109 Ca -0.02 1.06 -0.42 0.00 -1.33 0.00 0.00 58.87 58.15 2kup n SER 109 Cb 0.56 -1.30 0.01 0.00 -0.75 0.00 0.00 64.21 62.73 2kup n SER 109 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2kup n ILE 110 N 3.86 5.57 -4.17 2.46 -0.00 -1.26 -4.81 119.36 121.01 2kup n ILE 110 Ca 0.20 -5.96 -0.35 0.00 -0.00 0.00 0.00 62.75 56.65 2kup n ILE 110 Cb 0.24 -1.92 -0.06 0.00 -0.00 0.00 0.00 39.64 37.90 2kup n ILE 110 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2kup n ASN 111 N 0.92 -0.74 0.00 4.38 6.94 -1.26 -4.84 115.26 120.66 2kup n ASN 111 Ca 0.32 -1.22 0.06 0.00 -0.02 0.00 0.00 54.58 53.72 2kup n ASN 111 Cb 0.31 -1.50 0.39 0.00 -2.36 0.00 0.00 39.78 36.62 2kup n ASN 111 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2kup n VAL 112 N -4.56 0.00 -4.06 3.53 0.24 -1.26 -4.72 118.33 107.51 2kup n VAL 112 Ca -0.24 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 2kup n VAL 112 Cb 0.61 -0.36 -0.11 0.00 -1.47 0.00 0.00 33.84 32.52 2kup n VAL 112 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2kup s MET 113 N -2.00 0.52 0.69 7.34 -1.94 -1.26 -5.16 119.30 117.49 2kup s MET 113 Ca 0.19 -0.85 -0.15 0.00 -1.71 0.00 0.00 55.69 53.18 2kup s MET 113 Cb 0.09 -0.12 0.02 0.00 2.01 0.00 0.00 34.83 36.83 2kup s MET 113 CO 0.15 -0.00 1.16 -1.83 -0.01 0.00 0.00 175.02 174.49 2kup s GLU 114 N -2.10 2.48 0.02 2.03 -1.05 -1.26 -5.07 118.70 113.74 2kup s GLU 114 Ca -0.07 1.60 -0.06 0.00 -0.15 0.00 0.00 54.97 56.29 2kup s GLU 114 Cb -0.06 -1.89 -0.01 0.00 -0.44 0.00 0.00 34.13 31.73 2kup s GLU 114 CO -0.02 -1.54 0.10 -1.83 0.95 0.00 0.00 175.26 172.93 2kup s GLU 115 N -3.95 0.50 0.46 -4.83 -1.05 -1.26 -5.16 118.70 103.41 2kup s GLU 115 Ca 0.71 -0.56 -0.23 0.00 -0.15 0.00 0.00 54.97 54.74 2kup s GLU 115 Cb -0.25 0.20 -0.08 0.00 -0.44 0.00 0.00 34.13 33.56 2kup s GLU 115 CO 0.43 -0.12 1.14 -1.25 0.95 0.00 0.00 175.26 176.41 2kup s PRO 116 N -1.86 3.79 -0.17 -4.83 0.04 -1.26 -5.05 135.00 125.66 2kup s PRO 116 Ca -0.11 1.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 2kup s PRO 116 Cb -0.05 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 32.09 2kup s PRO 116 CO -0.01 -0.51 -0.12 0.08 0.04 0.00 0.00 177.00 176.48 2kup s VAL 117 N -1.58 2.90 0.48 -0.36 1.01 -1.26 -5.12 120.40 116.46 2kup s VAL 117 Ca 0.63 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 2kup s VAL 117 Cb -0.27 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.76 2kup s VAL 117 CO 0.33 0.49 1.00 -0.63 0.00 0.00 0.00 175.10 176.29 2kup s ILE 118 N 0.98 4.11 -2.00 2.22 -1.09 -1.26 -4.96 121.20 119.20 2kup s ILE 118 Ca -0.02 1.25 0.06 0.00 -2.23 0.00 0.00 60.65 59.72 2kup s ILE 118 Cb -0.15 -3.53 0.18 0.00 -1.58 0.00 0.00 42.46 37.38 2kup s ILE 118 CO -0.02 -0.34 1.15 2.30 -1.23 0.00 0.00 174.94 176.80 2kup n ILE 119 N -1.00 0.00 -3.50 2.92 -5.35 -1.26 -4.77 119.36 106.40 2kup n ILE 119 Ca 0.08 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.42 2kup n ILE 119 Cb 0.53 -0.17 -0.04 0.00 -1.74 0.00 0.00 39.64 38.22 2kup n ILE 119 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2kup s THR 120 N -2.00 0.00 -0.29 7.28 -1.32 -1.26 -5.18 115.64 112.87 2kup s THR 120 Ca 0.10 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.47 2kup s THR 120 Cb 0.04 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.16 2kup s THR 120 CO 0.07 0.00 0.63 -0.60 -2.21 0.00 0.00 174.62 172.52 2kup s ARG 121 N -2.04 0.57 0.18 7.08 3.00 -1.26 -5.18 118.95 121.29 2kup s ARG 121 Ca -0.04 1.40 0.03 0.00 -1.00 0.00 0.00 55.73 56.12 2kup s ARG 121 Cb -0.00 0.76 -0.03 0.00 0.00 0.00 0.00 34.95 35.67 2kup s ARG 121 CO 0.00 -0.20 0.29 -0.80 0.00 0.00 0.00 175.30 174.60 2kup s ASN 122 N 2.75 6.27 0.68 -2.12 0.01 -1.26 -5.14 114.94 116.13 2kup s ASN 122 Ca -0.06 0.12 -0.06 0.00 -0.71 0.00 0.00 52.86 52.15 2kup s ASN 122 Cb -0.11 -1.86 0.05 0.00 0.41 0.00 0.00 41.25 39.74 2kup s ASN 122 CO -0.19 0.02 0.98 -0.94 -1.51 0.00 0.00 177.10 175.46 2kup s SER 123 N -3.45 4.96 -0.59 -1.22 1.04 -1.26 -5.09 113.70 108.10 2kup s SER 123 Ca 0.34 0.46 -0.02 0.00 0.48 0.00 0.00 55.95 57.22 2kup s SER 123 Cb -0.10 -1.18 0.15 0.00 0.10 0.00 0.00 66.02 64.99 2kup s SER 123 CO 0.28 -1.49 0.39 -2.28 0.98 0.00 0.00 173.24 171.12 2kup s HIS 124 N -3.18 3.39 0.95 5.02 2.46 -1.26 -5.11 115.29 117.56 2kup s HIS 124 Ca 0.59 -2.78 -0.15 0.00 0.47 0.00 0.00 55.06 53.20 2kup s HIS 124 Cb -0.11 -3.13 0.17 0.00 -0.13 0.00 0.00 32.58 29.38 2kup s HIS 124 CO 0.44 -0.84 1.21 -1.25 -2.47 0.00 0.00 174.74 171.84 2kup s PRO 125 N -0.00 0.79 0.01 2.88 0.04 -1.26 -5.12 135.00 132.35 2kup s PRO 125 Ca 0.16 -0.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.01 2kup s PRO 125 Cb -0.21 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2kup s PRO 125 CO -0.03 -2.37 0.29 0.00 0.04 0.00 0.00 177.00 174.94 2kup s ALA 126 N -3.52 -0.70 -0.01 8.56 0.00 -1.26 -5.15 121.76 119.68 2kup s ALA 126 Ca 0.68 0.14 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 2kup s ALA 126 Cb -0.09 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 2kup s ALA 126 CO 0.53 -0.33 1.36 -2.00 0.00 0.00 0.00 175.76 175.33 2kup s GLU 127 N -1.90 4.29 0.44 0.00 2.12 -1.26 -5.03 118.70 117.36 2kup s GLU 127 Ca -0.10 1.91 -0.21 0.00 0.36 0.00 0.00 54.97 56.94 2kup s GLU 127 Cb -0.03 -3.57 -0.10 0.00 0.26 0.00 0.00 34.13 30.69 2kup s GLU 127 CO 0.01 -0.55 0.98 -0.48 -0.54 0.00 0.00 175.26 174.67 2kup s LEU 128 N 2.37 3.93 -0.07 2.70 0.05 -1.26 -5.08 118.68 121.31 2kup s LEU 128 Ca 0.62 1.77 -0.31 0.00 0.05 0.00 0.00 54.13 56.27 2kup s LEU 128 Cb -0.30 -4.52 0.08 0.00 -2.05 0.00 0.00 46.19 39.40 2kup s LEU 128 CO 0.26 -0.47 0.72 -0.62 -0.55 0.00 0.00 176.35 175.69 2kup s ASP 129 N -2.09 -0.63 0.19 1.48 2.15 -1.26 -5.18 116.67 111.35 2kup s ASP 129 Ca 0.63 0.71 -0.19 0.00 0.43 0.00 0.00 52.55 54.14 2kup s ASP 129 Cb -0.12 0.55 -0.08 0.00 -0.30 0.00 0.00 42.92 42.98 2kup s ASP 129 CO 0.16 -0.56 0.68 -1.48 -0.17 0.00 0.00 175.17 173.80 2kup s LEU 130 N -1.10 4.36 0.53 -1.34 0.05 -1.26 -5.08 118.68 114.84 2kup s LEU 130 Ca -0.09 1.34 -0.17 0.00 0.05 0.00 0.00 54.13 55.26 2kup s LEU 130 Cb -0.00 -3.46 -0.07 0.00 -2.05 0.00 0.00 46.19 40.60 2kup s LEU 130 CO 0.08 0.07 1.01 -2.16 -0.55 0.00 0.00 176.35 174.80 2kup s PRO 131 N -1.89 3.78 1.04 1.48 0.04 -1.26 -5.07 135.00 133.12 2kup s PRO 131 Ca 0.41 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.42 2kup s PRO 131 Cb -0.17 -2.10 0.21 0.00 0.04 0.00 0.00 34.50 32.48 2kup s PRO 131 CO 0.21 -0.42 1.08 -0.98 0.04 0.00 0.00 177.00 176.93 2kup s ARG 132 N -3.87 0.13 -0.00 4.56 1.04 -1.26 -5.08 118.95 114.47 2kup s ARG 132 Ca 0.62 0.52 -0.01 0.00 -1.04 0.00 0.00 55.73 55.81 2kup s ARG 132 Cb -0.12 -1.70 -0.04 0.00 -2.04 0.00 0.00 34.95 31.05 2kup s ARG 132 CO 0.30 -2.93 0.12 0.00 -0.04 0.00 0.00 175.30 172.74 2kup s ALA 133 N -2.90 3.72 0.93 7.88 0.00 -1.26 -5.12 121.76 125.01 2kup s ALA 133 Ca 0.66 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 2kup s ALA 133 Cb -0.19 -1.69 0.15 0.00 0.00 0.00 0.00 23.12 21.39 2kup s ALA 133 CO 0.59 0.71 1.11 -1.25 0.00 0.00 0.00 175.76 176.92 2kup s PRO 134 N -1.83 0.98 0.37 0.00 0.04 -1.26 -5.02 135.00 128.28 2kup s PRO 134 Ca 0.25 0.45 -0.27 0.00 0.04 0.00 0.00 61.00 61.46 2kup s PRO 134 Cb -0.12 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 2kup s PRO 134 CO 0.16 -2.34 1.32 -0.65 0.04 0.00 0.00 177.00 175.52 2kup s GLN 135 N -5.12 4.15 0.52 4.56 -0.21 -1.26 -5.00 119.66 117.31 2kup s GLN 135 Ca 0.64 2.21 -0.20 0.00 0.02 0.00 0.00 55.36 58.03 2kup s GLN 135 Cb -0.16 -2.91 -0.07 0.00 1.00 0.00 0.00 33.01 30.87 2kup s GLN 135 CO 0.55 -0.36 1.11 -1.25 -2.12 0.00 0.00 175.29 173.23 2kup s PRO 136 N -2.03 3.52 0.53 2.91 0.04 -1.26 -5.02 135.00 133.69 2kup s PRO 136 Ca 0.53 1.57 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 2kup s PRO 136 Cb -0.39 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.00 2kup s PRO 136 CO 0.52 -0.70 1.06 -1.25 0.04 0.00 0.00 177.00 176.67 2kup s PRO 137 N -3.19 3.57 0.74 0.56 0.04 -1.26 -5.06 135.00 130.39 2kup s PRO 137 Ca 0.70 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 2kup s PRO 137 Cb -0.22 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.29 2kup s PRO 137 CO 0.26 -0.63 1.09 1.21 0.04 0.00 0.00 177.00 178.97 2kup s ASN 138 N -2.15 5.11 0.29 6.66 2.47 -1.26 -5.11 114.94 120.94 2kup s ASN 138 Ca 0.67 1.28 0.04 0.00 0.42 0.00 0.00 52.86 55.27 2kup s ASN 138 Cb -0.18 -2.08 -0.06 0.00 -1.45 0.00 0.00 41.25 37.49 2kup s ASN 138 CO 0.26 -1.57 0.04 0.00 -3.72 0.00 0.00 177.10 172.11 2kup s ALA 139 N -3.23 2.12 -0.16 1.71 0.00 -1.26 -5.18 121.76 115.77 2kup s ALA 139 Ca 0.59 -1.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 2kup s ALA 139 Cb -0.13 0.63 0.04 0.00 0.00 0.00 0.00 23.12 23.67 2kup s ALA 139 CO 0.53 -0.29 0.41 -1.17 0.00 0.00 0.00 175.76 175.24 2kup s LEU 140 N -3.41 0.32 0.00 0.00 2.96 -1.26 -5.18 118.68 112.11 2kup s LEU 140 Ca 0.34 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 2kup s LEU 140 Cb 0.07 1.38 0.00 0.00 0.50 0.00 0.00 46.19 48.14 2kup s LEU 140 CO 0.13 -0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 2kup n GLY 141 N 3.19 1.06 3.75 7.98 0.00 -1.26 -5.17 105.19 114.74 2kup n GLY 141 Ca -0.16 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 2kup n GLY 141 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kup s TYR 142 N 1.32 0.21 0.27 1.61 5.04 -1.26 -5.21 117.35 119.34 2kup s TYR 142 Ca 0.00 -0.73 0.02 0.00 -2.44 0.00 0.00 57.07 53.92 2kup s TYR 142 Cb 0.00 0.60 -0.01 0.00 0.35 0.00 0.00 41.96 42.90 2kup s TYR 142 CO 0.00 -1.36 0.32 -2.37 -1.34 0.00 0.00 175.55 170.79 2kup n THR 143 N -0.50 0.00 -5.18 4.34 5.66 -1.26 -5.18 114.28 112.16 2kup n THR 143 Ca -0.05 -1.67 -0.32 0.00 -3.05 0.00 0.00 64.05 58.96 2kup n THR 143 Cb 0.60 0.92 -0.16 0.00 -1.55 0.00 0.00 70.33 70.15 2kup n THR 143 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kup s VAL 144 N -2.90 2.28 0.38 1.08 0.11 -1.26 -5.15 120.40 114.95 2kup s VAL 144 Ca 0.27 -0.99 0.07 0.00 -2.93 0.00 0.00 61.98 58.40 2kup s VAL 144 Cb 0.00 -1.84 -0.00 0.00 -1.53 0.00 0.00 36.38 33.01 2kup s VAL 144 CO 0.19 0.57 0.49 -0.94 -3.33 0.00 0.00 175.10 172.09 2kup s SER 145 N -0.30 5.69 0.00 3.54 1.04 -1.26 -5.40 113.70 117.01 2kup s SER 145 Ca 0.01 -0.37 0.21 0.00 0.48 0.00 0.00 55.95 56.27 2kup s SER 145 Cb -0.13 -0.88 1.24 0.00 0.10 0.00 0.00 66.02 66.35 2kup s SER 145 CO 0.02 -0.60 1.62 -0.24 0.98 0.00 0.00 173.24 175.03