#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kup s SER 2 N 0.00 -0.10 -0.01 1.61 1.04 -1.26 -5.20 113.70 109.78 2kup s SER 2 Ca 0.00 -0.59 -0.24 0.00 0.48 0.00 0.00 55.95 55.60 2kup s SER 2 Cb 0.00 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.72 2kup s SER 2 CO 0.00 -1.06 0.53 -0.94 0.98 0.00 0.00 173.24 172.75 2kup s SER 3 N -3.10 -0.46 0.68 7.02 1.04 -1.26 -5.19 113.70 112.42 2kup s SER 3 Ca 0.16 0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.95 2kup s SER 3 Cb -0.03 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.58 2kup s SER 3 CO 0.05 -0.61 0.13 0.61 0.98 0.00 0.00 173.24 174.40 2kup n GLY 4 N 0.82 -0.09 3.69 7.32 0.00 -1.26 -5.15 105.19 110.52 2kup n GLY 4 Ca -0.19 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 2kup n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kup s SER 5 N -1.52 -0.37 0.19 1.61 0.15 -1.26 -5.20 113.70 107.30 2kup s SER 5 Ca 0.08 -0.37 -0.24 0.00 0.70 0.00 0.00 55.95 56.13 2kup s SER 5 Cb -0.00 0.67 0.05 0.00 -1.71 0.00 0.00 66.02 65.03 2kup s SER 5 CO 0.06 -1.19 0.86 -0.55 1.20 0.00 0.00 173.24 173.62 2kup s SER 6 N -2.85 -0.22 0.00 5.45 0.15 -1.26 -5.20 113.70 109.77 2kup s SER 6 Ca 0.07 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2kup s SER 6 Cb -0.04 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2kup s SER 6 CO -0.01 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 173.99 2kup n GLY 7 N -0.46 2.23 3.56 9.45 0.00 -1.26 -5.20 105.19 113.51 2kup n GLY 7 Ca -0.06 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 2kup n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kup s LEU 8 N 0.00 0.16 -0.07 0.99 0.05 -1.26 -5.19 118.68 113.36 2kup s LEU 8 Ca 0.00 -0.62 -0.07 0.00 0.05 0.00 0.00 54.13 53.48 2kup s LEU 8 Cb 0.00 2.05 0.02 0.00 -2.05 0.00 0.00 46.19 46.21 2kup s LEU 8 CO 0.00 -1.09 0.21 0.20 -0.55 0.00 0.00 176.35 175.11 2kup s ASN 9 N -2.92 -0.20 0.93 1.48 0.01 -1.26 -5.18 114.94 107.80 2kup s ASN 9 Ca 0.13 0.38 -0.12 0.00 -0.71 0.00 0.00 52.86 52.54 2kup s ASN 9 Cb -0.01 0.41 0.15 0.00 0.41 0.00 0.00 41.25 42.21 2kup s ASN 9 CO 0.01 -0.09 1.12 0.00 -1.51 0.00 0.00 177.10 176.63 2kup s ARG 10 N 0.01 1.02 0.06 -0.60 1.70 -1.26 -5.00 118.95 114.88 2kup s ARG 10 Ca -0.01 0.37 0.28 0.00 -0.47 0.00 0.00 55.73 55.90 2kup s ARG 10 Cb -0.02 -1.82 1.05 0.00 -0.57 0.00 0.00 34.95 33.59 2kup s ARG 10 CO 0.00 -2.30 1.84 -0.25 -1.08 0.00 0.00 175.30 173.51 2kup n ASP 11 N -3.85 0.28 -4.65 -2.89 8.00 -1.26 -4.79 116.55 107.39 2kup n ASP 11 Ca 0.06 0.47 -0.38 0.00 0.71 0.00 0.00 54.79 55.65 2kup n ASP 11 Cb 0.59 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 41.09 2kup n ASP 11 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kup s SER 12 N -3.47 6.36 -0.15 -2.24 0.15 -1.26 -5.07 113.70 108.02 2kup s SER 12 Ca 0.13 0.42 -0.29 0.00 0.70 0.00 0.00 55.95 56.90 2kup s SER 12 Cb 0.17 -2.21 -0.01 0.00 -1.71 0.00 0.00 66.02 62.26 2kup s SER 12 CO 0.56 -0.09 1.05 -0.69 1.20 0.00 0.00 173.24 175.28 2kup s VAL 13 N 1.47 4.66 0.54 4.45 1.01 -1.26 -5.05 120.40 126.23 2kup s VAL 13 Ca 0.17 1.96 -0.16 0.00 0.00 0.00 0.00 61.98 63.95 2kup s VAL 13 Cb -0.15 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.90 2kup s VAL 13 CO 0.08 -0.07 1.01 -2.16 0.00 0.00 0.00 175.10 173.95 2kup s PRO 14 N 2.56 3.77 0.00 2.72 0.04 -1.26 -4.96 135.00 137.87 2kup s PRO 14 Ca 0.48 1.01 0.10 0.00 0.04 0.00 0.00 61.00 62.63 2kup s PRO 14 Cb -0.18 -2.11 0.53 0.00 0.04 0.00 0.00 34.50 32.78 2kup s PRO 14 CO 0.14 -0.43 1.20 -0.40 0.04 0.00 0.00 177.00 177.55 2kup n ASP 15 N -1.77 0.00 -0.41 6.66 5.75 -1.26 -2.62 116.55 122.90 2kup n ASP 15 Ca 0.07 0.09 0.04 0.00 -0.01 0.00 0.00 54.79 54.98 2kup n ASP 15 Cb 0.54 -0.26 0.10 0.00 -1.03 0.00 0.00 41.12 40.46 2kup n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2kup n ASN 16 N -1.26 2.54 -4.69 -1.12 0.23 -1.26 -4.42 115.26 105.28 2kup n ASN 16 Ca 0.05 -1.96 -0.43 0.00 -0.53 0.00 0.00 54.58 51.71 2kup n ASN 16 Cb 0.08 -0.14 -0.01 0.00 -2.08 0.00 0.00 39.78 37.62 2kup n ASN 16 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 2kup n HIS 17 N 0.17 2.23 0.30 -2.53 -0.00 -1.08 -4.90 115.22 109.42 2kup n HIS 17 Ca 0.07 0.52 0.12 0.00 0.46 0.00 0.00 57.72 58.89 2kup n HIS 17 Cb 0.35 -2.42 0.55 0.00 -0.12 0.00 0.00 29.99 28.35 2kup n HIS 17 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2kup h PRO 18 N 2.98 0.00 0.00 1.57 0.13 -1.97 -3.28 132.00 131.43 2kup h PRO 18 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kup h PRO 18 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kup h PRO 18 CO 0.66 0.00 -0.47 0.25 -0.23 0.00 0.00 178.00 178.21 2kup n THR 19 N -2.29 0.00 -3.89 1.56 -2.24 -1.26 -5.00 114.28 101.15 2kup n THR 19 Ca 0.01 -0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.38 2kup n THR 19 Cb 0.15 0.42 -0.14 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.05 2.75 -0.31 -0.78 3.01 -1.24 -3.55 119.74 118.57 2kup s LYS 20 Ca 0.00 -1.05 -0.07 0.00 -1.01 0.00 0.00 55.97 53.83 2kup s LYS 20 Cb 0.00 -3.16 0.02 0.00 -1.01 0.00 0.00 37.83 33.68 2kup s LYS 20 CO 0.00 -0.49 0.10 -0.06 0.51 0.00 0.00 175.35 175.41 2kup s PHE 21 N 1.35 3.19 0.16 3.18 0.08 -0.03 -3.88 117.98 122.03 2kup s PHE 21 Ca -0.01 -1.06 -0.31 0.00 0.12 0.00 0.00 56.93 55.67 2kup s PHE 21 Cb -0.18 -2.29 -0.09 0.00 -0.57 0.00 0.00 43.02 39.90 2kup s PHE 21 CO -0.01 -0.61 1.44 0.15 -0.10 0.00 0.00 175.22 176.09 2kup s LYS 22 N 1.49 4.29 0.03 0.44 1.02 -1.26 -0.64 119.74 125.11 2kup s LYS 22 Ca 0.02 2.19 -0.01 0.00 0.02 0.00 0.00 55.97 58.19 2kup s LYS 22 Cb -0.18 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 33.92 2kup s LYS 22 CO 0.03 -0.46 -0.01 0.14 -0.92 0.00 0.00 175.35 174.12 2kup s VAL 23 N 0.83 0.14 -0.12 3.17 -7.23 -0.08 -4.75 120.40 112.36 2kup s VAL 23 Ca 0.64 -1.13 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 2kup s VAL 23 Cb -0.40 -0.62 0.03 0.00 0.56 0.00 0.00 36.38 35.95 2kup s VAL 23 CO 0.33 -0.62 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.56 2kup s THR 24 N -2.14 0.94 0.22 5.32 2.01 -0.72 -0.81 115.64 120.46 2kup s THR 24 Ca -0.10 -0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 2kup s THR 24 Cb -0.05 -1.03 -0.10 0.00 0.01 0.00 0.00 72.50 71.33 2kup s THR 24 CO -0.03 0.27 1.43 0.21 -0.69 0.00 0.00 174.62 175.80 2kup s ASN 25 N 1.73 6.70 0.14 3.53 3.04 -0.05 -0.66 114.94 129.39 2kup s ASN 25 Ca 0.04 2.59 0.07 0.00 0.04 0.00 0.00 52.86 55.59 2kup s ASN 25 Cb -0.13 -2.61 -0.04 0.00 -1.54 0.00 0.00 41.25 36.92 2kup s ASN 25 CO -0.08 -0.68 -0.16 0.68 -3.04 0.00 0.00 177.10 173.83 2kup s VAL 26 N 0.23 1.56 0.00 -5.21 -7.23 -0.41 -1.79 120.40 107.55 2kup s VAL 26 Ca 0.60 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 2kup s VAL 26 Cb -0.41 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 34.84 2kup s VAL 26 CO 0.40 -0.38 0.00 -0.90 -0.31 0.00 0.00 175.10 173.91 2kup n ASP 27 N 0.39 0.00 0.26 4.85 5.75 -1.04 -4.52 116.55 122.25 2kup n ASP 27 Ca -0.14 -0.83 0.16 0.00 -0.01 0.00 0.00 54.79 53.97 2kup n ASP 27 Cb 0.57 0.00 0.56 0.00 -1.03 0.00 0.00 41.12 41.22 2kup n ASP 27 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2kup h ASP 28 N 0.00 0.00 1.18 -1.12 3.58 -2.00 -2.50 116.42 115.56 2kup h ASP 28 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kup h ASP 28 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2kup h ASP 28 CO 0.00 0.01 -0.37 -0.33 -2.88 0.00 0.00 179.24 175.67 2kup h GLU 29 N 0.00 0.00 0.00 0.28 4.39 -2.06 -3.48 114.58 113.71 2kup h GLU 29 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kup h GLU 29 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2kup h GLU 29 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2kup n GLY 30 N 1.30 0.54 3.82 -3.84 0.00 -0.94 -5.08 105.19 100.99 2kup n GLY 30 Ca 0.04 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 4.36 -0.11 1.61 -7.23 -1.26 -4.78 120.40 110.99 2kup s VAL 31 Ca 0.00 1.39 -0.23 0.00 -1.81 0.00 0.00 61.98 61.33 2kup s VAL 31 Cb 0.00 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.30 2kup s VAL 31 CO 0.00 -0.40 0.68 -1.61 -0.31 0.00 0.00 175.10 173.46 2kup s GLU 32 N -3.40 4.37 -0.12 4.82 2.02 -1.26 -2.50 118.70 122.64 2kup s GLU 32 Ca 0.62 0.81 -0.07 0.00 0.02 0.00 0.00 54.97 56.34 2kup s GLU 32 Cb -0.10 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 2kup s GLU 32 CO 0.18 -0.02 -0.18 1.28 0.02 0.00 0.00 175.26 176.54 2kup n LEU 33 N 4.15 1.09 -3.52 1.80 4.77 -0.74 -5.03 117.00 119.52 2kup n LEU 33 Ca -0.01 0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 55.99 2kup n LEU 33 Cb 0.51 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2kup n LEU 33 CO 0.46 0.11 0.39 -0.83 -1.33 0.00 0.00 177.39 176.20 2kup s GLY 34 N -5.08 -0.55 0.11 -0.72 0.00 -1.25 -5.04 107.32 94.79 2kup s GLY 34 Ca -0.18 1.01 0.09 0.00 0.00 0.00 0.00 44.72 45.64 2kup s GLY 34 CO 0.24 0.67 -0.18 -0.45 0.00 0.00 0.00 173.10 173.38 2kup s SER 35 N -1.62 3.87 0.32 1.64 0.15 -1.26 -0.87 113.70 115.93 2kup s SER 35 Ca -0.08 -0.54 -0.13 0.00 0.70 0.00 0.00 55.95 55.90 2kup s SER 35 Cb -0.00 -0.55 0.02 0.00 -1.71 0.00 0.00 66.02 63.77 2kup s SER 35 CO 0.03 0.19 0.62 -0.83 1.20 0.00 0.00 173.24 174.45 2kup s GLY 36 N -2.05 0.59 -0.20 9.45 0.00 0.01 -4.69 107.32 110.43 2kup s GLY 36 Ca 0.17 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.99 2kup s GLY 36 CO 0.09 -0.52 -0.10 0.14 0.00 0.00 0.00 173.10 172.72 2kup s VAL 37 N -3.24 2.90 -0.04 1.40 1.01 -0.30 -0.90 120.40 121.23 2kup s VAL 37 Ca 0.20 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 2kup s VAL 37 Cb -0.03 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2kup s VAL 37 CO 0.12 0.47 0.69 -0.32 0.00 0.00 0.00 175.10 176.06 2kup s MET 38 N 1.36 4.43 -0.07 2.72 1.75 0.19 -0.95 119.30 128.73 2kup s MET 38 Ca 0.05 0.89 0.03 0.00 -1.25 0.00 0.00 55.69 55.40 2kup s MET 38 Cb -0.14 -3.42 0.01 0.00 2.84 0.00 0.00 34.83 34.13 2kup s MET 38 CO -0.06 0.15 -0.14 -2.00 -0.65 0.00 0.00 175.02 172.32 2kup s GLU 39 N 0.50 1.91 -0.17 4.11 2.12 0.21 -0.85 118.70 126.54 2kup s GLU 39 Ca 0.37 -0.49 -0.06 0.00 0.36 0.00 0.00 54.97 55.15 2kup s GLU 39 Cb -0.18 -1.55 -0.04 0.00 0.26 0.00 0.00 34.13 32.62 2kup s GLU 39 CO 0.19 0.05 0.03 -0.51 -0.54 0.00 0.00 175.26 174.48 2kup s LEU 40 N 0.61 3.67 0.32 2.70 1.02 -1.23 -0.95 118.68 124.82 2kup s LEU 40 Ca -0.15 0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.07 2kup s LEU 40 Cb -0.16 -1.91 -0.05 0.00 0.02 0.00 0.00 46.19 44.09 2kup s LEU 40 CO 0.05 0.20 0.08 0.42 0.02 0.00 0.00 176.35 177.12 2kup s THR 41 N 0.21 0.88 -1.24 5.49 -4.23 -1.05 -4.99 115.64 110.72 2kup s THR 41 Ca 0.02 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.69 2kup s THR 41 Cb -0.13 -2.67 0.21 0.00 1.34 0.00 0.00 72.50 71.25 2kup s THR 41 CO 0.01 0.00 1.48 0.00 -0.54 0.00 0.00 174.62 175.57 2kup n GLN 42 N -0.65 0.12 -0.12 3.99 6.02 -1.26 -3.78 117.38 121.71 2kup n GLN 42 Ca -0.02 0.18 -0.20 0.00 -0.01 0.00 0.00 57.00 56.95 2kup n GLN 42 Cb 0.66 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.32 2kup n GLN 42 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kup n SER 43 N -1.38 2.04 -3.65 1.08 7.64 -1.26 -4.51 113.62 113.58 2kup n SER 43 Ca 0.06 0.03 0.01 0.00 1.01 0.00 0.00 58.87 59.97 2kup n SER 43 Cb 0.15 -0.49 -0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2kup n SER 43 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2kup s GLU 44 N -2.45 0.55 0.13 1.43 -1.05 -1.25 -4.34 118.70 111.73 2kup s GLU 44 Ca -0.32 -0.31 -0.21 0.00 -0.15 0.00 0.00 54.97 53.98 2kup s GLU 44 Cb 0.10 0.19 -0.07 0.00 -0.44 0.00 0.00 34.13 33.90 2kup s GLU 44 CO 0.49 -0.25 0.67 -0.51 0.95 0.00 0.00 175.26 176.61 2kup s LEU 45 N -3.03 4.52 -0.04 1.83 1.43 -0.56 -2.52 118.68 120.31 2kup s LEU 45 Ca 0.15 1.42 0.01 0.00 -1.03 0.00 0.00 54.13 54.68 2kup s LEU 45 Cb 0.03 -3.16 0.02 0.00 0.03 0.00 0.00 46.19 43.11 2kup s LEU 45 CO -0.02 0.21 -0.03 -0.69 0.23 0.00 0.00 176.35 176.04 2kup s VAL 46 N -1.20 0.44 -0.23 -1.59 1.01 -0.12 -1.57 120.40 117.14 2kup s VAL 46 Ca 0.34 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 2kup s VAL 46 Cb -0.20 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 2kup s VAL 46 CO 0.22 0.20 0.15 -0.76 0.00 0.00 0.00 175.10 174.91 2kup s LEU 47 N 0.91 4.12 -0.21 3.92 1.43 0.12 -0.62 118.68 128.34 2kup s LEU 47 Ca -0.11 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 2kup s LEU 47 Cb -0.14 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 2kup s LEU 47 CO -0.00 0.10 0.19 -1.00 0.23 0.00 0.00 176.35 175.86 2kup s HIS 48 N 0.87 3.37 0.08 0.29 3.76 -0.12 -2.85 115.29 120.70 2kup s HIS 48 Ca 0.07 0.35 0.01 0.00 -0.15 0.00 0.00 55.06 55.35 2kup s HIS 48 Cb -0.13 -2.26 -0.04 0.00 1.11 0.00 0.00 32.58 31.26 2kup s HIS 48 CO 0.03 0.16 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.51 2kup s LEU 49 N 0.75 2.46 0.00 0.89 1.43 -1.26 -1.15 118.68 121.80 2kup s LEU 49 Ca 0.10 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2kup s LEU 49 Cb -0.13 -0.05 0.00 0.00 0.03 0.00 0.00 46.19 46.04 2kup s LEU 49 CO 0.02 -0.43 0.01 1.57 0.23 0.00 0.00 176.35 177.75 2kup n HIS 50 N 0.26 0.00 1.52 0.29 -0.00 -1.26 -4.61 115.22 111.42 2kup n HIS 50 Ca -0.14 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.72 2kup n HIS 50 Cb 0.60 0.00 0.63 0.00 -0.00 0.00 0.00 29.99 31.22 2kup n HIS 50 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2kup n ARG 51 N -0.38 0.98 -4.14 1.57 5.12 -1.26 -4.86 116.66 113.69 2kup n ARG 51 Ca 0.00 -0.38 -0.26 0.00 -1.93 0.00 0.00 57.85 55.28 2kup n ARG 51 Cb 0.00 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 29.75 2kup n ARG 51 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2kup s ARG 52 N -2.29 2.70 0.53 5.56 3.00 -1.26 -5.12 118.95 122.06 2kup s ARG 52 Ca 0.34 -0.99 -0.21 0.00 0.00 0.00 0.00 55.73 54.88 2kup s ARG 52 Cb 0.21 -2.52 -0.06 0.00 0.00 0.00 0.00 34.95 32.58 2kup s ARG 52 CO 0.43 0.46 1.19 -1.21 0.00 0.00 0.00 175.30 176.17 2kup s GLU 53 N -3.10 3.36 0.28 3.54 2.02 -1.26 -4.63 118.70 118.91 2kup s GLU 53 Ca 0.30 1.80 -0.29 0.00 0.02 0.00 0.00 54.97 56.79 2kup s GLU 53 Cb -0.10 -2.15 -0.10 0.00 0.10 0.00 0.00 34.13 31.89 2kup s GLU 53 CO 0.22 -0.88 1.32 0.00 0.02 0.00 0.00 175.26 175.94 2kup s ALA 54 N -1.59 3.53 -0.06 5.21 0.00 -1.26 -4.85 121.76 122.73 2kup s ALA 54 Ca 0.71 1.22 0.06 0.00 0.00 0.00 0.00 51.96 53.95 2kup s ALA 54 Cb -0.29 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.33 2kup s ALA 54 CO 0.33 -0.61 -0.25 0.08 0.00 0.00 0.00 175.76 175.31 2kup s VAL 55 N -0.63 2.03 0.04 0.00 1.01 -1.13 -4.99 120.40 116.73 2kup s VAL 55 Ca 0.53 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2kup s VAL 55 Cb -0.39 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2kup s VAL 55 CO 0.47 0.56 -0.07 -0.13 0.00 0.00 0.00 175.10 175.93 2kup s ARG 56 N -0.08 0.52 -0.12 2.72 3.00 -1.26 -0.71 118.95 123.02 2kup s ARG 56 Ca -0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 55.73 54.87 2kup s ARG 56 Cb -0.14 -0.26 0.06 0.00 0.00 0.00 0.00 34.95 34.60 2kup s ARG 56 CO 0.04 0.04 0.14 -1.58 0.00 0.00 0.00 175.30 173.94 2kup s TRP 57 N -1.43 -0.06 0.48 -0.53 0.51 -0.61 -4.38 118.94 112.91 2kup s TRP 57 Ca -0.10 0.22 -0.22 0.00 -2.12 0.00 0.00 56.10 53.88 2kup s TRP 57 Cb -0.10 -0.44 -0.07 0.00 -0.81 0.00 0.00 33.47 32.06 2kup s TRP 57 CO 0.00 -0.39 1.20 -1.25 -0.51 0.00 0.00 176.95 176.00 2kup s PRO 58 N 2.24 3.62 0.51 4.98 0.04 -1.26 -1.50 135.00 143.63 2kup s PRO 58 Ca 0.04 1.85 0.16 0.00 0.04 0.00 0.00 61.00 63.08 2kup s PRO 58 Cb -0.14 -2.36 1.22 0.00 0.04 0.00 0.00 34.50 33.27 2kup s PRO 58 CO -0.07 -0.69 2.12 1.88 0.04 0.00 0.00 177.00 180.28 2kup h TYR 59 N 1.89 0.00 -0.52 0.56 0.05 -1.95 -1.34 116.97 115.66 2kup h TYR 59 Ca -0.50 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.33 2kup h TYR 59 Cb 1.26 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.97 2kup h TYR 59 CO 0.52 0.04 0.34 1.25 -1.05 0.00 0.00 178.16 179.26 2kup h LEU 60 N 0.00 0.45 -0.02 3.88 6.46 -1.93 -2.13 115.31 122.02 2kup h LEU 60 Ca -0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2kup h LEU 60 Cb 0.06 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2kup h LEU 60 CO 0.00 0.30 -0.15 0.00 -0.62 0.00 0.00 178.44 177.97 2kup s LEU 62 N -2.94 4.12 0.43 0.00 1.43 -0.80 -3.63 118.68 117.29 2kup s LEU 62 Ca 0.15 -1.85 0.14 0.00 -1.03 0.00 0.00 54.13 51.54 2kup s LEU 62 Cb 0.19 -2.51 0.93 0.00 0.03 0.00 0.00 46.19 44.83 2kup s LEU 62 CO 0.57 -1.28 1.94 0.08 0.23 0.00 0.00 176.35 177.89 2kup h ARG 63 N 9.07 0.00 -2.91 1.70 0.11 -1.74 -3.44 114.38 117.17 2kup h ARG 63 Ca 0.22 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.23 2kup h ARG 63 Cb 0.99 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.91 2kup h ARG 63 CO 1.32 0.24 -0.04 -0.98 0.10 0.00 0.00 179.97 180.62 2kup s ARG 64 N -4.47 0.98 -0.09 0.08 1.70 -1.23 -5.03 118.95 110.89 2kup s ARG 64 Ca -0.03 -0.30 -0.16 0.00 -0.47 0.00 0.00 55.73 54.76 2kup s ARG 64 Cb 0.15 0.44 0.04 0.00 -0.57 0.00 0.00 34.95 35.01 2kup s ARG 64 CO 0.70 -0.34 0.39 1.52 -1.08 0.00 0.00 175.30 176.49 2kup s TYR 65 N -2.46 -0.36 0.38 5.89 1.13 -1.26 -1.00 117.35 119.67 2kup s TYR 65 Ca -0.05 0.77 -0.14 0.00 -1.41 0.00 0.00 57.07 56.24 2kup s TYR 65 Cb -0.01 0.15 0.06 0.00 -1.10 0.00 0.00 41.96 41.06 2kup s TYR 65 CO -0.02 -0.32 0.76 0.41 -2.51 0.00 0.00 175.55 173.87 2kup n GLY 66 N 2.06 1.05 3.37 5.49 0.00 -0.86 -5.02 105.19 111.29 2kup n GLY 66 Ca -0.17 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 2kup n GLY 66 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kup s TYR 67 N -2.35 0.30 0.00 1.61 1.13 -1.26 -2.93 117.35 113.84 2kup s TYR 67 Ca 0.16 -0.66 0.00 0.00 -1.41 0.00 0.00 57.07 55.16 2kup s TYR 67 Cb -0.05 0.03 0.00 0.00 -1.10 0.00 0.00 41.96 40.84 2kup s TYR 67 CO 0.12 -0.76 0.00 -3.47 -2.51 0.00 0.00 175.55 168.93 2kup n ASP 68 N -0.24 0.00 0.23 -0.18 -0.08 -0.08 -4.99 116.55 111.22 2kup n ASP 68 Ca -0.08 -0.95 0.16 0.00 -1.51 0.00 0.00 54.79 52.41 2kup n ASP 68 Cb 0.63 0.00 0.66 0.00 2.34 0.00 0.00 41.12 44.75 2kup n ASP 68 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2kup h SER 69 N 0.00 0.00 0.00 1.67 4.64 -2.00 -3.34 113.55 114.52 2kup h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kup h SER 69 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2kup h SER 69 CO 0.00 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.50 2kup n ASN 70 N -2.81 0.00 -3.79 4.97 6.94 -1.26 -4.89 115.26 114.42 2kup n ASN 70 Ca 0.01 -1.00 -0.17 0.00 -0.02 0.00 0.00 54.58 53.40 2kup n ASN 70 Cb 0.26 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.52 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 1.07 -0.02 -4.53 1.98 -1.25 -1.62 118.68 114.32 2kup s LEU 71 Ca 0.00 0.00 0.08 0.00 -2.89 0.00 0.00 54.13 51.32 2kup s LEU 71 Cb 0.00 -0.17 -0.02 0.00 0.66 0.00 0.00 46.19 46.66 2kup s LEU 71 CO 0.00 -0.12 -0.25 0.12 -1.89 0.00 0.00 176.35 174.21 2kup s PHE 72 N 1.11 2.22 0.11 5.38 5.36 -0.29 -0.90 117.98 130.97 2kup s PHE 72 Ca -0.09 -0.42 -0.16 0.00 -0.96 0.00 0.00 56.93 55.31 2kup s PHE 72 Cb -0.13 -1.43 0.03 0.00 -0.34 0.00 0.00 43.02 41.16 2kup s PHE 72 CO -0.02 -0.04 0.39 0.45 -1.46 0.00 0.00 175.22 174.55 2kup s SER 73 N -0.59 -0.23 -0.02 6.13 0.15 -1.15 -0.48 113.70 117.51 2kup s SER 73 Ca 0.10 -0.28 -0.14 0.00 0.70 0.00 0.00 55.95 56.32 2kup s SER 73 Cb -0.10 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 2kup s SER 73 CO -0.01 -0.82 0.31 0.72 1.20 0.00 0.00 173.24 174.64 2kup s PHE 74 N -3.61 -0.18 -0.10 3.44 -0.12 -1.13 -2.02 117.98 114.24 2kup s PHE 74 Ca 0.02 0.29 0.01 0.00 -0.05 0.00 0.00 56.93 57.19 2kup s PHE 74 Cb 0.02 0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 2kup s PHE 74 CO -0.11 -0.38 -0.12 -2.00 -0.05 0.00 0.00 175.22 172.57 2kup s GLU 75 N -1.25 3.07 0.09 1.99 2.12 -0.17 -2.35 118.70 122.20 2kup s GLU 75 Ca -0.13 -0.66 0.04 0.00 0.36 0.00 0.00 54.97 54.58 2kup s GLU 75 Cb -0.05 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 2kup s GLU 75 CO 0.04 0.40 -0.10 -1.12 -0.54 0.00 0.00 175.26 173.93 2kup s SER 76 N -0.12 1.46 0.38 -1.70 0.01 -0.60 -2.31 113.70 110.82 2kup s SER 76 Ca -0.01 -0.80 0.07 0.00 1.31 0.00 0.00 55.95 56.53 2kup s SER 76 Cb -0.14 0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 2kup s SER 76 CO 0.03 -0.25 0.46 -0.83 0.41 0.00 0.00 173.24 173.07 2kup s GLY 77 N -2.39 1.82 0.57 3.44 0.00 -1.24 -2.65 107.32 106.87 2kup s GLY 77 Ca 0.05 -1.62 0.27 0.00 0.00 0.00 0.00 44.72 43.42 2kup s GLY 77 CO 0.00 -1.49 1.99 3.21 0.00 0.00 0.00 173.10 176.82 2kup h ARG 78 N 0.88 0.00 0.00 2.90 3.08 -1.93 -2.53 114.38 116.77 2kup h ARG 78 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2kup h ARG 78 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2kup h ARG 78 CO 0.52 0.00 0.00 0.07 -1.07 0.00 0.00 179.97 179.49 2kup h ARG 79 N 0.00 0.00 0.00 0.04 0.11 -1.94 -3.39 114.38 109.20 2kup h ARG 79 Ca 0.19 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.98 2kup h ARG 79 Cb 0.91 0.00 0.10 0.00 1.11 0.00 0.00 29.97 32.09 2kup h ARG 79 CO -0.00 0.00 0.22 0.00 0.10 0.00 0.00 179.97 180.29 2kup h GLN 81 N 0.00 0.48 0.00 0.00 4.15 -1.89 -3.17 115.11 114.68 2kup h GLN 81 Ca -0.27 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.08 2kup h GLN 81 Cb 0.79 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2kup h GLN 81 CO 0.21 0.34 -1.03 1.79 -1.93 0.00 0.00 178.83 178.21 2kup h THR 82 N 0.48 0.13 0.00 2.39 1.35 -1.91 -3.51 112.91 111.83 2kup h THR 82 Ca 0.13 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 2kup h THR 82 Cb -0.02 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2kup h THR 82 CO -0.03 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 2kup n GLY 83 N 1.22 -1.13 3.74 5.82 0.00 -1.20 -4.91 105.19 108.74 2kup n GLY 83 Ca -0.02 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 4.21 0.00 1.61 -2.07 -1.22 -4.07 119.66 118.12 2kup s GLN 84 Ca 0.00 2.40 0.00 0.00 -1.82 0.00 0.00 55.36 55.94 2kup s GLN 84 Cb 0.00 -3.09 0.00 0.00 -1.09 0.00 0.00 33.01 28.83 2kup s GLN 84 CO 0.00 -0.52 0.00 0.41 -1.32 0.00 0.00 175.29 173.86 2kup n GLY 85 N 2.52 0.79 3.20 2.60 0.00 -1.08 -4.95 105.19 108.26 2kup n GLY 85 Ca 0.09 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.89 1.57 -0.07 -0.61 1.01 -1.26 -1.55 121.20 118.40 2kup s ILE 86 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 2kup s ILE 86 Cb 0.00 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.18 2kup s ILE 86 CO 0.00 0.45 -0.03 -0.36 0.00 0.00 0.00 174.94 175.00 2kup s PHE 87 N -0.35 0.82 0.03 3.97 0.08 -0.99 -5.02 117.98 116.51 2kup s PHE 87 Ca 0.05 -0.26 0.07 0.00 0.12 0.00 0.00 56.93 56.91 2kup s PHE 87 Cb -0.09 -0.81 -0.02 0.00 -0.57 0.00 0.00 43.02 41.52 2kup s PHE 87 CO 0.00 -0.30 -0.21 0.00 -0.10 0.00 0.00 175.22 174.60 2kup s ALA 88 N 1.54 1.81 -0.03 5.36 0.00 -1.26 -2.85 121.76 126.33 2kup s ALA 88 Ca -0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 2kup s ALA 88 Cb -0.13 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.63 2kup s ALA 88 CO -0.04 0.42 0.03 -0.06 0.00 0.00 0.00 175.76 176.12 2kup s PHE 89 N -0.71 0.10 0.17 0.00 0.40 0.37 -1.28 117.98 117.03 2kup s PHE 89 Ca 0.08 0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.25 2kup s PHE 89 Cb -0.09 -0.36 -0.08 0.00 0.51 0.00 0.00 43.02 43.00 2kup s PHE 89 CO 0.01 -0.13 1.27 0.15 0.70 0.00 0.00 175.22 177.21 2kup s LYS 90 N 1.44 4.42 -0.18 0.44 1.02 0.17 -1.14 119.74 125.92 2kup s LYS 90 Ca -0.04 1.97 -0.29 0.00 0.02 0.00 0.00 55.97 57.62 2kup s LYS 90 Cb -0.13 -3.23 0.12 0.00 -0.52 0.00 0.00 37.83 34.08 2kup s LYS 90 CO -0.03 -0.21 0.99 0.00 -0.92 0.00 0.00 175.35 175.18 2kup n SER 92 N 1.04 0.37 -0.43 0.00 2.88 -1.26 -3.85 113.62 112.37 2kup n SER 92 Ca -0.11 -1.07 0.06 0.00 -1.33 0.00 0.00 58.87 56.42 2kup n SER 92 Cb 0.57 -0.01 0.09 0.00 -0.75 0.00 0.00 64.21 64.12 2kup n SER 92 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kup n ARG 93 N -0.73 0.80 -0.33 -1.46 3.00 -1.26 -4.89 116.66 111.79 2kup n ARG 93 Ca 0.22 -2.14 0.12 0.00 -0.01 0.00 0.00 57.85 56.04 2kup n ARG 93 Cb 0.18 -1.05 0.31 0.00 0.00 0.00 0.00 32.46 31.89 2kup n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kup h ALA 94 N 0.26 1.54 -0.19 7.54 0.00 -1.85 -0.61 119.26 125.96 2kup h ALA 94 Ca -0.02 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2kup h ALA 94 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2kup h ALA 94 CO 0.01 -0.17 -0.48 1.49 0.00 0.00 0.00 179.25 180.10 2kup h GLU 95 N 0.61 0.49 -0.58 0.00 4.81 -1.90 -1.85 114.58 116.16 2kup h GLU 95 Ca 0.56 -0.28 -0.10 0.00 -0.13 0.00 0.00 59.36 59.41 2kup h GLU 95 Cb 0.94 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 2kup h GLU 95 CO -0.43 0.87 -0.03 0.93 -0.73 0.00 0.00 179.01 179.62 2kup h GLU 96 N 0.39 1.04 -0.24 1.92 5.08 -1.54 -0.70 114.58 120.54 2kup h GLU 96 Ca 0.02 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2kup h GLU 96 Cb 0.99 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2kup h GLU 96 CO 0.09 1.03 0.14 0.82 -1.00 0.00 0.00 179.01 180.09 2kup h ILE 97 N 0.95 1.09 -0.70 3.13 2.04 -1.19 -1.26 117.51 121.56 2kup h ILE 97 Ca 0.16 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2kup h ILE 97 Cb 0.58 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2kup h ILE 97 CO 0.03 0.09 0.36 0.15 0.00 0.00 0.00 178.15 178.78 2kup h PHE 98 N 0.29 0.98 -0.01 1.37 3.57 -1.14 0.05 116.94 122.05 2kup h PHE 98 Ca 0.08 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 2kup h PHE 98 Cb 0.01 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 2kup h PHE 98 CO -0.05 0.70 -0.63 -0.91 -2.23 0.00 0.00 178.31 175.19 2kup h ASN 99 N 0.99 0.07 0.19 0.41 2.35 -0.97 -3.27 115.58 115.35 2kup h ASN 99 Ca 0.25 -0.04 -0.27 0.00 -0.55 0.00 0.00 56.30 55.68 2kup h ASN 99 Cb 0.07 -0.02 0.03 0.00 0.05 0.00 0.00 38.32 38.44 2kup h ASN 99 CO -0.04 0.68 -1.24 0.25 -1.65 0.00 0.00 177.43 175.44 2kup h LEU 100 N 0.04 0.63 -0.13 1.61 6.46 -0.78 -3.35 115.31 119.80 2kup h LEU 100 Ca -0.01 -0.93 0.04 0.00 -0.12 0.00 0.00 57.88 56.87 2kup h LEU 100 Cb 1.12 -0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 40.78 2kup h LEU 100 CO 0.09 1.59 -0.41 -0.07 -0.62 0.00 0.00 178.44 179.01 2kup h LEU 101 N -0.11 -1.28 -2.83 2.25 3.38 -1.09 -1.73 115.31 113.90 2kup h LEU 101 Ca -0.23 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kup h LEU 101 Cb 1.91 0.52 -0.00 0.00 0.09 0.00 0.00 40.66 43.19 2kup h LEU 101 CO 0.20 -0.42 -0.00 0.06 0.09 0.00 0.00 178.44 178.36 2kup h GLN 102 N -0.49 0.00 0.00 1.13 3.07 -1.73 0.84 115.11 117.93 2kup h GLN 102 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.74 2kup h GLN 102 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.17 2kup h GLN 102 CO -0.39 0.00 -0.61 0.22 0.09 0.00 0.00 178.83 178.14 2kup h ASP 103 N 0.00 0.00 0.15 0.06 3.58 -1.45 -3.20 116.42 115.56 2kup h ASP 103 Ca -0.00 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.09 2kup h ASP 103 Cb 0.04 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.04 2kup h ASP 103 CO 0.00 0.34 -2.15 0.18 -2.88 0.00 0.00 179.24 174.73 2kup n LEU 104 N -3.07 1.80 0.24 2.28 4.77 -0.48 -3.95 117.00 118.59 2kup n LEU 104 Ca 0.00 0.12 0.09 0.00 -0.03 0.00 0.00 56.01 56.19 2kup n LEU 104 Cb 0.68 -0.44 0.62 0.00 -2.33 0.00 0.00 43.42 41.95 2kup n LEU 104 CO 0.39 0.70 0.93 0.24 -1.33 0.00 0.00 177.39 178.33 2kup h MET 105 N 0.02 0.00 0.00 3.23 2.86 -1.03 0.39 114.93 120.40 2kup h MET 105 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 2kup h MET 105 Cb 2.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.70 2kup h MET 105 CO 0.03 0.16 -0.19 0.00 1.06 0.00 0.00 176.91 177.97 2kup n GLN 106 N -3.92 0.04 -0.08 1.72 10.64 -1.21 -4.09 117.38 120.49 2kup n GLN 106 Ca -0.02 0.03 -0.05 0.00 -1.83 0.00 0.00 57.00 55.12 2kup n GLN 106 Cb 0.25 -1.54 -0.15 0.00 -0.86 0.00 0.00 30.24 27.94 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 -2.61 2.49 -4.55 0.00 2.85 -0.04 -4.88 115.26 108.52 2kup n ASN 108 Ca -0.26 0.92 -0.35 0.00 -0.11 0.00 0.00 54.58 54.79 2kup n ASN 108 Cb 1.00 -1.57 -0.03 0.00 1.24 0.00 0.00 39.78 40.42 2kup n ASN 108 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2kup s SER 109 N -1.08 4.74 0.05 1.20 0.01 -1.26 -4.86 113.70 112.50 2kup s SER 109 Ca 0.76 0.66 -0.15 0.00 1.31 0.00 0.00 55.95 58.52 2kup s SER 109 Cb -0.40 -2.52 -0.27 0.00 0.21 0.00 0.00 66.02 63.05 2kup s SER 109 CO 0.46 -2.75 1.12 0.40 0.41 0.00 0.00 173.24 172.88 2kup h ILE 110 N 7.37 1.30 0.00 1.44 1.08 -1.93 -3.42 117.51 123.35 2kup h ILE 110 Ca -0.22 -2.34 0.00 0.00 -0.39 0.00 0.00 64.86 61.91 2kup h ILE 110 Cb 1.20 2.59 0.00 0.00 -3.07 0.00 0.00 36.82 37.54 2kup h ILE 110 CO 1.18 0.71 0.00 -0.46 -0.69 0.00 0.00 178.15 178.89 2kup n ASN 111 N -3.88 0.00 0.11 1.72 0.23 -1.26 -4.88 115.26 107.30 2kup n ASN 111 Ca -0.12 -1.00 -0.02 0.00 -0.53 0.00 0.00 54.58 52.90 2kup n ASN 111 Cb 0.91 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.63 2kup n ASN 111 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 2kup h VAL 112 N 2.01 1.36 -4.03 3.53 2.07 -1.97 -3.45 116.25 115.78 2kup h VAL 112 Ca 0.00 -2.67 -0.49 0.00 0.82 0.00 0.00 66.70 64.36 2kup h VAL 112 Cb 0.75 2.51 -0.24 0.00 -1.52 0.00 0.00 31.29 32.80 2kup h VAL 112 CO 0.00 0.72 -0.81 -0.04 0.02 0.00 0.00 177.57 177.46 2kup s MET 113 N -3.04 1.04 -0.06 1.57 -1.94 -1.26 -5.14 119.30 110.48 2kup s MET 113 Ca 0.01 -0.92 -0.28 0.00 -1.71 0.00 0.00 55.69 52.80 2kup s MET 113 Cb 0.10 -1.13 -0.03 0.00 2.01 0.00 0.00 34.83 35.79 2kup s MET 113 CO 0.78 0.27 0.89 -2.00 -0.01 0.00 0.00 175.02 174.95 2kup s GLU 114 N -1.42 4.47 0.37 2.03 2.12 -1.26 -4.98 118.70 120.03 2kup s GLU 114 Ca 0.03 1.22 -0.25 0.00 0.36 0.00 0.00 54.97 56.33 2kup s GLU 114 Cb -0.09 -3.49 -0.09 0.00 0.26 0.00 0.00 34.13 30.73 2kup s GLU 114 CO 0.02 -0.10 1.06 -1.83 -0.54 0.00 0.00 175.26 173.87 2kup s GLU 115 N 1.28 4.26 0.68 4.30 -1.05 -1.26 -5.06 118.70 121.84 2kup s GLU 115 Ca 0.46 1.59 -0.12 0.00 -0.15 0.00 0.00 54.97 56.75 2kup s GLU 115 Cb -0.19 -2.69 -0.00 0.00 -0.44 0.00 0.00 34.13 30.81 2kup s GLU 115 CO 0.22 -0.07 1.06 -1.25 0.95 0.00 0.00 175.26 176.16 2kup s PRO 116 N -2.26 3.02 -0.15 -4.83 0.04 -1.26 -5.07 135.00 124.49 2kup s PRO 116 Ca 0.55 0.99 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 2kup s PRO 116 Cb -0.25 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2kup s PRO 116 CO 0.31 -1.04 0.23 0.54 0.04 0.00 0.00 177.00 177.08 2kup s VAL 117 N -2.95 5.35 -0.11 -0.36 0.11 -1.26 -5.10 120.40 116.07 2kup s VAL 117 Ca 0.59 0.41 0.02 0.00 -2.93 0.00 0.00 61.98 60.08 2kup s VAL 117 Cb -0.14 -3.55 0.01 0.00 -1.53 0.00 0.00 36.38 31.17 2kup s VAL 117 CO 0.52 0.47 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.94 2kup s ILE 118 N -0.03 1.74 -0.10 7.04 1.09 -1.26 -5.14 121.20 124.55 2kup s ILE 118 Ca 0.15 -0.80 -0.02 0.00 -1.10 0.00 0.00 60.65 58.87 2kup s ILE 118 Cb -0.13 -1.56 -0.03 0.00 -1.06 0.00 0.00 42.46 39.69 2kup s ILE 118 CO 0.03 0.49 0.00 -0.63 -0.10 0.00 0.00 174.94 174.73 2kup s ILE 119 N 0.80 4.30 0.08 2.92 -1.09 -1.26 -4.98 121.20 121.97 2kup s ILE 119 Ca -0.09 -0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.10 2kup s ILE 119 Cb -0.16 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 2kup s ILE 119 CO 0.00 0.59 -0.06 0.28 -1.23 0.00 0.00 174.94 174.52 2kup s THR 120 N -0.69 0.59 0.36 2.92 -1.32 -1.26 -5.14 115.64 111.10 2kup s THR 120 Ca 0.11 -1.68 -0.28 0.00 -1.21 0.00 0.00 61.69 58.63 2kup s THR 120 Cb -0.12 -1.36 -0.12 0.00 -1.51 0.00 0.00 72.50 69.40 2kup s THR 120 CO 0.02 -0.75 1.39 -2.11 -2.21 0.00 0.00 174.62 170.96 2kup n ARG 121 N 0.39 2.40 -4.20 7.08 1.85 -1.26 -5.03 116.66 117.90 2kup n ARG 121 Ca -0.15 0.84 -0.23 0.00 -1.00 0.00 0.00 57.85 57.30 2kup n ARG 121 Cb 0.59 -2.50 -0.07 0.00 -1.05 0.00 0.00 32.46 29.43 2kup n ARG 121 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2kup s ASN 122 N -0.22 4.52 -0.01 2.89 2.20 -1.26 -5.16 114.94 117.90 2kup s ASN 122 Ca 0.54 -0.81 -0.29 0.00 -0.94 0.00 0.00 52.86 51.36 2kup s ASN 122 Cb -0.52 -0.69 0.07 0.00 -2.00 0.00 0.00 41.25 38.10 2kup s ASN 122 CO 0.63 -0.23 0.65 -0.55 -2.94 0.00 0.00 177.10 174.66 2kup s SER 123 N -3.78 -0.63 0.34 3.54 0.15 -1.26 -5.17 113.70 106.90 2kup s SER 123 Ca 0.36 0.56 -0.28 0.00 0.70 0.00 0.00 55.95 57.29 2kup s SER 123 Cb -0.02 0.54 -0.10 0.00 -1.71 0.00 0.00 66.02 64.73 2kup s SER 123 CO 0.21 -0.67 1.22 -1.00 1.20 0.00 0.00 173.24 174.20 2kup s HIS 124 N -1.69 3.17 0.69 3.44 3.76 -1.26 -5.03 115.29 118.38 2kup s HIS 124 Ca -0.09 1.52 -0.13 0.00 -0.15 0.00 0.00 55.06 56.22 2kup s HIS 124 Cb -0.00 -3.51 0.01 0.00 1.11 0.00 0.00 32.58 30.19 2kup s HIS 124 CO 0.05 -1.42 1.08 -1.25 -0.85 0.00 0.00 174.74 172.36 2kup s PRO 125 N -1.85 2.75 0.44 8.40 0.04 -1.26 -5.03 135.00 138.49 2kup s PRO 125 Ca 0.50 1.18 -0.23 0.00 0.04 0.00 0.00 61.00 62.49 2kup s PRO 125 Cb -0.36 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.15 2kup s PRO 125 CO 0.46 -1.26 1.16 0.00 0.04 0.00 0.00 177.00 177.40 2kup s ALA 126 N -2.71 3.02 -0.10 8.56 0.00 -1.26 -5.06 121.76 124.20 2kup s ALA 126 Ca 0.62 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 2kup s ALA 126 Cb -0.17 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 2kup s ALA 126 CO 0.49 -0.60 -0.06 -2.00 0.00 0.00 0.00 175.76 173.59 2kup s GLU 127 N -2.61 3.11 0.12 0.00 2.12 -1.26 -5.12 118.70 115.06 2kup s GLU 127 Ca 0.62 -0.54 -0.20 0.00 0.36 0.00 0.00 54.97 55.21 2kup s GLU 127 Cb -0.28 -2.71 -0.07 0.00 0.26 0.00 0.00 34.13 31.32 2kup s GLU 127 CO 0.35 0.50 0.63 -1.17 -0.54 0.00 0.00 175.26 175.02 2kup s LEU 128 N -0.35 4.49 0.04 2.70 0.20 -1.26 -5.10 118.68 119.40 2kup s LEU 128 Ca 0.05 1.33 0.08 0.00 0.69 0.00 0.00 54.13 56.29 2kup s LEU 128 Cb -0.12 -3.12 -0.03 0.00 -0.43 0.00 0.00 46.19 42.48 2kup s LEU 128 CO 0.02 0.20 -0.23 -1.81 -0.29 0.00 0.00 176.35 174.24 2kup s ASP 129 N -1.28 3.41 0.25 3.68 1.01 -1.26 -5.16 116.67 117.32 2kup s ASP 129 Ca 0.33 -0.53 -0.00 0.00 0.71 0.00 0.00 52.55 53.06 2kup s ASP 129 Cb -0.19 -0.41 -0.04 0.00 1.01 0.00 0.00 42.92 43.29 2kup s ASP 129 CO 0.21 0.26 0.44 -1.48 0.21 0.00 0.00 175.17 174.81 2kup s LEU 130 N -1.33 4.17 0.48 1.23 0.05 -1.26 -5.11 118.68 116.91 2kup s LEU 130 Ca 0.13 0.42 -0.17 0.00 0.05 0.00 0.00 54.13 54.56 2kup s LEU 130 Cb -0.10 -3.22 -0.08 0.00 -2.05 0.00 0.00 46.19 40.73 2kup s LEU 130 CO 0.03 -0.12 0.95 -2.16 -0.55 0.00 0.00 176.35 174.50 2kup s PRO 131 N -3.63 3.99 0.97 1.48 0.04 -1.26 -5.08 135.00 131.50 2kup s PRO 131 Ca 0.39 0.94 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 2kup s PRO 131 Cb -0.10 -2.18 0.17 0.00 0.04 0.00 0.00 34.50 32.43 2kup s PRO 131 CO 0.31 -0.19 1.09 -0.98 0.04 0.00 0.00 177.00 177.27 2kup s ARG 132 N -3.85 0.67 0.01 4.56 3.03 -1.26 -5.12 118.95 117.00 2kup s ARG 132 Ca 0.59 0.63 -0.03 0.00 2.03 0.00 0.00 55.73 58.95 2kup s ARG 132 Cb -0.10 -1.76 -0.01 0.00 -1.03 0.00 0.00 34.95 32.06 2kup s ARG 132 CO 0.27 -2.59 0.04 0.00 -1.13 0.00 0.00 175.30 171.89 2kup s ALA 133 N -2.94 -0.07 0.69 7.88 0.00 -1.26 -5.17 121.76 120.89 2kup s ALA 133 Ca 0.65 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 2kup s ALA 133 Cb -0.19 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.07 2kup s ALA 133 CO 0.58 -0.18 1.06 -1.25 0.00 0.00 0.00 175.76 175.97 2kup s PRO 134 N -1.38 2.94 0.24 0.00 0.04 -1.26 -5.08 135.00 130.51 2kup s PRO 134 Ca -0.15 0.98 -0.08 0.00 0.04 0.00 0.00 61.00 61.79 2kup s PRO 134 Cb -0.09 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2kup s PRO 134 CO 0.00 -1.10 0.55 1.14 0.04 0.00 0.00 177.00 177.63 2kup s GLN 135 N -4.96 3.75 0.66 4.56 -2.07 -1.26 -5.10 119.66 115.23 2kup s GLN 135 Ca 0.59 0.19 -0.13 0.00 -1.82 0.00 0.00 55.36 54.18 2kup s GLN 135 Cb -0.14 -2.65 -0.00 0.00 -1.09 0.00 0.00 33.01 29.12 2kup s GLN 135 CO 0.54 0.29 1.07 -1.25 -1.32 0.00 0.00 175.29 174.62 2kup s PRO 136 N -3.02 2.97 0.61 9.60 0.04 -1.26 -5.05 135.00 138.89 2kup s PRO 136 Ca 0.46 1.15 -0.15 0.00 0.04 0.00 0.00 61.00 62.50 2kup s PRO 136 Cb -0.11 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2kup s PRO 136 CO 0.24 -1.08 1.06 -1.25 0.04 0.00 0.00 177.00 176.01 2kup s PRO 137 N -4.48 3.24 0.86 0.56 0.04 -1.26 -5.08 135.00 128.88 2kup s PRO 137 Ca 0.62 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 2kup s PRO 137 Cb -0.16 -2.02 0.15 0.00 0.04 0.00 0.00 34.50 32.51 2kup s PRO 137 CO 0.46 -0.88 1.19 0.54 0.04 0.00 0.00 177.00 178.35 2kup s ASN 138 N -2.80 3.76 0.19 6.66 2.20 -1.26 -5.14 114.94 118.55 2kup s ASN 138 Ca 0.64 0.17 -0.09 0.00 -0.94 0.00 0.00 52.86 52.64 2kup s ASN 138 Cb -0.16 -0.41 -0.01 0.00 -2.00 0.00 0.00 41.25 38.66 2kup s ASN 138 CO 0.38 -2.30 0.31 0.00 -2.94 0.00 0.00 177.10 172.55 2kup s ALA 139 N -3.59 0.12 -0.13 3.54 0.00 -1.26 -5.18 121.76 115.26 2kup s ALA 139 Ca 0.69 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 2kup s ALA 139 Cb -0.06 1.00 0.06 0.00 0.00 0.00 0.00 23.12 24.12 2kup s ALA 139 CO 0.49 -0.69 0.29 -1.17 0.00 0.00 0.00 175.76 174.68 2kup s LEU 140 N -3.01 0.10 0.00 0.00 0.20 -1.26 -5.15 118.68 109.56 2kup s LEU 140 Ca 0.22 0.63 0.00 0.00 0.69 0.00 0.00 54.13 55.67 2kup s LEU 140 Cb 0.03 0.87 0.00 0.00 -0.43 0.00 0.00 46.19 46.66 2kup s LEU 140 CO 0.04 -0.19 0.00 0.61 -0.29 0.00 0.00 176.35 176.52 2kup n GLY 141 N 4.56 0.79 3.35 7.98 0.00 -1.26 -5.15 105.19 115.46 2kup n GLY 141 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 0.57 -0.32 -0.03 1.61 5.04 -1.26 -5.08 117.35 117.89 2kup s TYR 142 Ca 0.00 0.16 0.22 0.00 -2.44 0.00 0.00 57.07 55.01 2kup s TYR 142 Cb 0.00 0.31 0.62 0.00 0.35 0.00 0.00 41.96 43.24 2kup s TYR 142 CO 0.00 -0.68 1.70 1.79 -1.34 0.00 0.00 175.55 177.02 2kup h THR 143 N 2.56 0.53 -4.91 4.34 1.35 -2.09 -3.48 112.91 111.20 2kup h THR 143 Ca -0.33 -1.38 -0.20 0.00 -0.55 0.00 0.00 66.41 63.95 2kup h THR 143 Cb 1.24 1.97 0.15 0.00 -1.73 0.00 0.00 68.15 69.78 2kup h THR 143 CO 0.44 0.25 -0.67 0.52 -0.25 0.00 0.00 175.52 175.81 2kup n VAL 144 N -3.29 -7.12 -2.49 6.82 0.31 -1.26 -5.01 118.33 106.29 2kup n VAL 144 Ca 0.01 -0.98 -0.40 0.00 -0.01 0.00 0.00 64.34 62.95 2kup n VAL 144 Cb 0.52 -5.62 -0.04 0.00 -0.91 0.00 0.00 33.84 27.79 2kup n VAL 144 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2kup s SER 145 N -3.40 7.30 0.00 4.52 0.01 -1.26 -5.37 113.70 115.50 2kup s SER 145 Ca 0.32 2.25 0.26 0.00 1.31 0.00 0.00 55.95 60.08 2kup s SER 145 Cb -0.04 -2.63 0.56 0.00 0.21 0.00 0.00 66.02 64.12 2kup s SER 145 CO 0.58 -0.12 1.47 -0.24 0.41 0.00 0.00 173.24 175.34