#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 -0.40 0.03 1.61 1.04 -1.26 -5.20 113.70 109.52 2kup s SER 2 Ca 0.00 -0.08 -0.27 0.00 0.48 0.00 0.00 55.95 56.07 2kup s SER 2 Cb 0.00 0.48 0.09 0.00 0.10 0.00 0.00 66.02 66.69 2kup s SER 2 CO 0.00 -0.81 0.74 -0.55 0.98 0.00 0.00 173.24 173.61 2kup s SER 3 N -2.65 -0.51 0.00 7.02 0.15 -1.26 -5.19 113.70 111.26 2kup s SER 3 Ca 0.05 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2kup s SER 3 Cb -0.01 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2kup s SER 3 CO -0.08 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.26 2kup n GLY 4 N 0.11 0.03 3.60 9.45 0.00 -1.26 -5.19 105.19 111.93 2kup n GLY 4 Ca -0.14 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 -0.33 -0.28 1.61 0.15 -1.26 -5.19 113.70 108.40 2kup s SER 5 Ca 0.00 -0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.26 2kup s SER 5 Cb 0.00 0.48 0.09 0.00 -1.71 0.00 0.00 66.02 64.88 2kup s SER 5 CO 0.00 -0.83 0.80 -0.55 1.20 0.00 0.00 173.24 173.86 2kup s SER 6 N -2.71 -0.72 0.19 5.45 0.15 -1.26 -5.18 113.70 109.62 2kup s SER 6 Ca 0.07 1.28 -0.04 0.00 0.70 0.00 0.00 55.95 57.96 2kup s SER 6 Cb -0.02 1.30 -0.05 0.00 -1.71 0.00 0.00 66.02 65.54 2kup s SER 6 CO -0.05 -0.21 0.43 -0.83 1.20 0.00 0.00 173.24 173.78 2kup s GLY 7 N 0.84 2.06 0.07 9.45 0.00 -1.26 -5.13 107.32 113.36 2kup s GLY 7 Ca -0.03 -0.60 -0.07 0.00 0.00 0.00 0.00 44.72 44.01 2kup s GLY 7 CO -0.09 -0.52 0.15 1.08 0.00 0.00 0.00 173.10 173.72 2kup s LEU 8 N -3.01 1.61 -0.02 0.66 1.43 -1.26 -5.19 118.68 112.90 2kup s LEU 8 Ca 0.42 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 2kup s LEU 8 Cb -0.11 0.86 0.07 0.00 0.03 0.00 0.00 46.19 47.03 2kup s LEU 8 CO 0.26 -0.66 0.64 0.54 0.23 0.00 0.00 176.35 177.36 2kup s ASN 9 N -2.68 -0.61 -0.05 2.29 4.22 -1.26 -5.18 114.94 111.66 2kup s ASN 9 Ca 0.03 0.57 -0.04 0.00 -2.14 0.00 0.00 52.86 51.28 2kup s ASN 9 Cb 0.04 0.53 0.02 0.00 1.28 0.00 0.00 41.25 43.12 2kup s ASN 9 CO -0.09 -0.64 0.14 -0.13 -2.04 0.00 0.00 177.10 174.33 2kup s ARG 10 N -1.54 0.14 0.00 3.55 0.52 -1.26 -5.06 118.95 115.29 2kup s ARG 10 Ca -0.10 0.23 0.25 0.00 -0.52 0.00 0.00 55.73 55.59 2kup s ARG 10 Cb -0.00 0.01 0.43 0.00 0.52 0.00 0.00 34.95 35.90 2kup s ARG 10 CO 0.07 -0.06 1.36 -3.47 0.02 0.00 0.00 175.30 173.22 2kup n ASP 11 N 3.32 1.53 -4.13 0.23 2.03 -1.26 -4.89 116.55 113.38 2kup n ASP 11 Ca -0.16 -1.22 -0.23 0.00 0.52 0.00 0.00 54.79 53.71 2kup n ASP 11 Cb 0.57 0.27 -0.15 0.00 -0.72 0.00 0.00 41.12 41.10 2kup n ASP 11 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2kup s SER 12 N -2.46 1.80 0.02 1.67 0.01 -1.26 -5.12 113.70 108.36 2kup s SER 12 Ca 0.22 -0.31 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 2kup s SER 12 Cb 0.19 -0.19 -0.08 0.00 0.21 0.00 0.00 66.02 66.16 2kup s SER 12 CO 0.53 0.17 1.77 0.54 0.41 0.00 0.00 173.24 176.65 2kup s VAL 13 N -0.43 3.20 0.84 3.43 0.11 -1.26 -5.00 120.40 121.28 2kup s VAL 13 Ca 0.05 0.39 -0.12 0.00 -2.93 0.00 0.00 61.98 59.37 2kup s VAL 13 Cb -0.06 -3.25 0.11 0.00 -1.53 0.00 0.00 36.38 31.65 2kup s VAL 13 CO -0.00 -0.02 1.19 -2.16 -3.33 0.00 0.00 175.10 170.77 2kup s PRO 14 N 3.74 1.61 0.00 1.54 0.04 -1.26 -4.96 135.00 135.71 2kup s PRO 14 Ca 0.79 -0.12 0.05 0.00 0.04 0.00 0.00 61.00 61.76 2kup s PRO 14 Cb -0.39 -1.96 0.32 0.00 0.04 0.00 0.00 34.50 32.51 2kup s PRO 14 CO 0.34 -1.77 0.78 -0.40 0.04 0.00 0.00 177.00 175.99 2kup n ASP 15 N -3.37 0.00 -0.54 6.66 5.68 -1.26 -3.80 116.55 119.92 2kup n ASP 15 Ca 0.10 -0.82 -0.00 0.00 -0.50 0.00 0.00 54.79 53.57 2kup n ASP 15 Cb 0.60 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.58 2kup n ASP 15 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2kup n ASN 16 N -0.67 0.00 -4.76 -1.12 0.23 -1.26 -4.88 115.26 102.80 2kup n ASN 16 Ca 0.04 -1.55 -0.39 0.00 -0.53 0.00 0.00 54.58 52.15 2kup n ASN 16 Cb 0.02 -0.10 0.02 0.00 -2.08 0.00 0.00 39.78 37.64 2kup n ASN 16 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 2kup s HIS 17 N 0.00 2.45 -0.88 -2.53 2.46 -1.25 -4.94 115.29 110.60 2kup s HIS 17 Ca 0.01 1.32 0.20 0.00 0.47 0.00 0.00 55.06 57.05 2kup s HIS 17 Cb 0.01 -3.85 0.81 0.00 -0.13 0.00 0.00 32.58 29.43 2kup s HIS 17 CO -0.01 -2.81 1.61 -0.35 -2.47 0.00 0.00 174.74 170.72 2kup n PRO 18 N -0.42 0.06 0.00 2.88 -0.04 -1.26 -3.95 135.00 132.26 2kup n PRO 18 Ca 0.07 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2kup n PRO 18 Cb 0.43 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 2kup n PRO 18 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kup n THR 19 N -1.70 0.00 -4.15 0.52 -2.24 -1.26 -5.02 114.28 100.43 2kup n THR 19 Ca 0.04 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.47 2kup n THR 19 Cb 0.23 -0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.20 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 -1.44 3.56 -0.26 -0.78 3.01 -1.25 -2.91 119.74 119.67 2kup s LYS 20 Ca 0.00 -0.35 -0.01 0.00 -1.01 0.00 0.00 55.97 54.60 2kup s LYS 20 Cb 0.00 -3.05 0.08 0.00 -1.01 0.00 0.00 37.83 33.85 2kup s LYS 20 CO 0.00 0.47 0.05 -0.06 0.51 0.00 0.00 175.35 176.32 2kup s PHE 21 N -0.22 1.68 0.10 3.18 0.40 0.32 -3.83 117.98 119.62 2kup s PHE 21 Ca 0.07 -1.49 -0.31 0.00 -0.60 0.00 0.00 56.93 54.60 2kup s PHE 21 Cb -0.12 -1.50 -0.09 0.00 0.51 0.00 0.00 43.02 41.82 2kup s PHE 21 CO 0.02 -0.77 1.56 0.15 0.70 0.00 0.00 175.22 176.87 2kup s LYS 22 N 1.63 4.23 0.13 0.44 1.02 -1.26 -0.55 119.74 125.38 2kup s LYS 22 Ca 0.03 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.30 2kup s LYS 22 Cb -0.18 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 2kup s LYS 22 CO -0.15 -0.63 0.01 0.14 -0.92 0.00 0.00 175.35 173.80 2kup s VAL 23 N 1.86 0.43 -0.09 3.17 -7.23 0.19 -4.79 120.40 113.94 2kup s VAL 23 Ca 0.70 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 2kup s VAL 23 Cb -0.40 -1.97 0.03 0.00 0.56 0.00 0.00 36.38 34.60 2kup s VAL 23 CO 0.31 -0.59 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.61 2kup s THR 24 N -3.82 0.52 0.16 5.32 2.01 -0.83 -1.09 115.64 117.90 2kup s THR 24 Ca 0.20 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.89 2kup s THR 24 Cb 0.07 -0.67 -0.11 0.00 0.01 0.00 0.00 72.50 71.81 2kup s THR 24 CO 0.00 0.26 1.71 0.21 -0.69 0.00 0.00 174.62 176.11 2kup s ASN 25 N 1.91 6.47 0.15 3.53 2.47 -0.16 -0.70 114.94 128.62 2kup s ASN 25 Ca 0.05 2.73 0.08 0.00 0.42 0.00 0.00 52.86 56.13 2kup s ASN 25 Cb -0.13 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.05 2kup s ASN 25 CO -0.06 -0.94 -0.17 0.68 -3.72 0.00 0.00 177.10 172.89 2kup s VAL 26 N 1.80 1.71 0.00 -5.21 -7.23 -0.48 -1.79 120.40 109.20 2kup s VAL 26 Ca 0.75 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 2kup s VAL 26 Cb -0.46 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 34.71 2kup s VAL 26 CO 0.33 -0.33 0.00 -0.90 -0.31 0.00 0.00 175.10 173.89 2kup n ASP 27 N 0.38 0.00 0.23 4.85 5.75 -1.05 -4.48 116.55 122.23 2kup n ASP 27 Ca -0.14 -0.69 0.06 0.00 -0.01 0.00 0.00 54.79 54.01 2kup n ASP 27 Cb 0.57 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.19 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 0.00 0.00 0.75 -1.12 3.04 -2.00 -2.18 116.42 114.91 2kup h ASP 28 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2kup h ASP 28 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2kup h ASP 28 CO 0.00 0.17 -0.15 -0.62 -2.04 0.00 0.00 179.24 176.60 2kup n GLU 29 N -4.28 0.13 -1.06 4.15 -0.58 -1.26 -4.95 120.64 112.80 2kup n GLU 29 Ca -0.02 -0.03 -0.02 0.00 -0.42 0.00 0.00 57.16 56.66 2kup n GLU 29 Cb 0.24 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.60 2kup n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kup n GLY 30 N 1.45 0.55 3.83 0.62 0.00 -0.82 -5.05 105.19 105.77 2kup n GLY 30 Ca 0.08 -0.61 -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 -2.02 4.47 -0.22 1.61 -7.23 -1.26 -4.76 120.40 110.99 2kup s VAL 31 Ca 0.00 1.34 -0.22 0.00 -1.81 0.00 0.00 61.98 61.30 2kup s VAL 31 Cb 0.00 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.31 2kup s VAL 31 CO 0.00 -0.33 0.68 -1.61 -0.31 0.00 0.00 175.10 173.54 2kup s GLU 32 N -3.22 4.19 -0.21 4.82 2.02 -1.26 -2.52 118.70 122.52 2kup s GLU 32 Ca 0.60 0.69 -0.13 0.00 0.02 0.00 0.00 54.97 56.15 2kup s GLU 32 Cb -0.09 -3.61 -0.08 0.00 0.10 0.00 0.00 34.13 30.44 2kup s GLU 32 CO 0.16 -0.34 -0.31 1.28 0.02 0.00 0.00 175.26 176.07 2kup n LEU 33 N 5.41 1.74 -3.71 1.80 4.77 -0.74 -5.04 117.00 121.23 2kup n LEU 33 Ca 0.01 0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 56.14 2kup n LEU 33 Cb 0.49 -0.70 -0.08 0.00 -2.33 0.00 0.00 43.42 40.80 2kup n LEU 33 CO 0.45 0.20 0.11 -0.83 -1.33 0.00 0.00 177.39 175.98 2kup s GLY 34 N -5.20 -0.25 0.33 -0.72 0.00 -1.24 -5.04 107.32 95.20 2kup s GLY 34 Ca -0.30 0.60 -0.10 0.00 0.00 0.00 0.00 44.72 44.91 2kup s GLY 34 CO 0.40 0.36 0.68 -1.35 0.00 0.00 0.00 173.10 173.19 2kup s SER 35 N -1.16 6.57 0.29 1.64 1.04 -1.26 -0.98 113.70 119.84 2kup s SER 35 Ca -0.12 1.03 -0.19 0.00 0.48 0.00 0.00 55.95 57.16 2kup s SER 35 Cb -0.04 -2.27 0.02 0.00 0.10 0.00 0.00 66.02 63.83 2kup s SER 35 CO 0.05 -0.26 0.69 -0.83 0.98 0.00 0.00 173.24 173.87 2kup s GLY 36 N -2.85 0.11 -0.18 7.32 0.00 -0.25 -4.70 107.32 106.77 2kup s GLY 36 Ca 0.49 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.74 2kup s GLY 36 CO 0.27 -0.22 -0.19 0.14 0.00 0.00 0.00 173.10 173.09 2kup s VAL 37 N -3.69 2.15 0.15 1.40 1.01 0.85 -0.64 120.40 121.63 2kup s VAL 37 Ca 0.14 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 2kup s VAL 37 Cb -0.05 -1.90 -0.08 0.00 0.00 0.00 0.00 36.38 34.35 2kup s VAL 37 CO 0.08 0.53 0.73 -0.32 0.00 0.00 0.00 175.10 176.12 2kup s MET 38 N 1.28 4.48 -0.05 2.72 1.75 0.29 -1.03 119.30 128.75 2kup s MET 38 Ca 0.05 1.06 0.01 0.00 -1.25 0.00 0.00 55.69 55.56 2kup s MET 38 Cb -0.13 -3.24 0.02 0.00 2.84 0.00 0.00 34.83 34.31 2kup s MET 38 CO -0.12 0.58 -0.06 -2.00 -0.65 0.00 0.00 175.02 172.77 2kup s GLU 39 N -1.17 0.99 -0.14 4.11 2.12 0.33 -0.52 118.70 124.42 2kup s GLU 39 Ca 0.34 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 55.48 2kup s GLU 39 Cb -0.22 -0.94 -0.03 0.00 0.26 0.00 0.00 34.13 33.21 2kup s GLU 39 CO 0.25 -0.05 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.35 2kup s LEU 40 N 0.84 3.17 0.31 2.70 1.02 -1.15 -1.00 118.68 124.57 2kup s LEU 40 Ca -0.12 -0.14 0.03 0.00 0.02 0.00 0.00 54.13 53.92 2kup s LEU 40 Cb -0.15 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 2kup s LEU 40 CO 0.01 0.19 0.13 0.42 0.02 0.00 0.00 176.35 177.12 2kup s THR 41 N 0.21 0.51 -2.00 5.49 -4.23 -1.11 -4.90 115.64 109.61 2kup s THR 41 Ca -0.03 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.57 2kup s THR 41 Cb -0.14 -2.55 0.25 0.00 1.34 0.00 0.00 72.50 71.40 2kup s THR 41 CO 0.03 0.00 1.03 0.00 -0.54 0.00 0.00 174.62 175.14 2kup n GLN 42 N -0.61 0.60 -0.04 3.99 6.02 -1.26 -3.76 117.38 122.32 2kup n GLN 42 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 2kup n GLN 42 Cb 0.65 -1.23 -0.03 0.00 1.02 0.00 0.00 30.24 30.66 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 -0.73 1.74 -3.67 1.08 7.64 -1.26 -4.58 113.62 113.84 2kup n SER 43 Ca 0.07 0.04 -0.00 0.00 1.01 0.00 0.00 58.87 59.98 2kup n SER 43 Cb 0.03 -0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.14 0.70 0.11 1.43 -1.05 -1.25 -4.41 118.70 112.09 2kup s GLU 44 Ca -0.10 -0.38 -0.21 0.00 -0.15 0.00 0.00 54.97 54.12 2kup s GLU 44 Cb 0.03 0.24 -0.07 0.00 -0.44 0.00 0.00 34.13 33.89 2kup s GLU 44 CO 0.14 -0.32 0.64 -0.51 0.95 0.00 0.00 175.26 176.16 2kup s LEU 45 N -2.96 4.55 -0.05 1.83 1.43 -0.46 -2.77 118.68 120.25 2kup s LEU 45 Ca 0.13 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 2kup s LEU 45 Cb 0.03 -3.04 0.02 0.00 0.03 0.00 0.00 46.19 43.23 2kup s LEU 45 CO -0.02 0.25 -0.02 -0.69 0.23 0.00 0.00 176.35 176.10 2kup s VAL 46 N -1.12 0.42 -0.21 -1.59 1.01 -0.17 -1.43 120.40 117.31 2kup s VAL 46 Ca 0.31 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.17 2kup s VAL 46 Cb -0.21 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 2kup s VAL 46 CO 0.22 0.21 0.14 -0.76 0.00 0.00 0.00 175.10 174.91 2kup s LEU 47 N 1.16 4.18 -0.16 3.92 1.43 0.39 -0.52 118.68 129.08 2kup s LEU 47 Ca -0.07 0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2kup s LEU 47 Cb -0.14 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 2kup s LEU 47 CO -0.01 0.15 -0.02 -1.00 0.23 0.00 0.00 176.35 175.69 2kup s HIS 48 N 0.55 3.06 0.00 0.29 3.76 -0.19 -1.39 115.29 121.36 2kup s HIS 48 Ca 0.08 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 2kup s HIS 48 Cb -0.12 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.59 2kup s HIS 48 CO -0.00 -0.02 0.00 1.47 -0.85 0.00 0.00 174.74 175.33 2kup n LEU 49 N 3.59 0.00 0.00 0.89 -0.00 -1.26 -0.11 117.00 120.11 2kup n LEU 49 Ca -0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.82 2kup n LEU 49 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.96 2kup n LEU 49 CO 0.33 0.00 0.51 1.57 -0.00 0.00 0.00 177.39 179.80 2kup n HIS 50 N 0.00 -0.99 0.27 1.47 -0.00 -1.26 -4.87 115.22 109.84 2kup n HIS 50 Ca 0.00 -0.75 0.12 0.00 -0.00 0.00 0.00 57.72 57.09 2kup n HIS 50 Cb 0.00 0.36 0.75 0.00 -0.00 0.00 0.00 29.99 31.10 2kup n HIS 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kup h ARG 51 N 0.00 0.00 -7.16 1.57 2.47 -2.05 -3.44 114.38 105.77 2kup h ARG 51 Ca -0.16 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.01 2kup h ARG 51 Cb 0.73 0.00 0.17 0.00 -1.65 0.00 0.00 29.97 29.22 2kup h ARG 51 CO 0.22 0.09 0.42 0.50 0.56 0.00 0.00 179.97 181.76 2kup s ARG 52 N -4.39 2.09 0.40 0.04 3.00 -1.26 -4.96 118.95 113.87 2kup s ARG 52 Ca -0.04 1.88 -0.25 0.00 -1.00 0.00 0.00 55.73 56.32 2kup s ARG 52 Cb 0.14 -1.81 -0.11 0.00 0.00 0.00 0.00 34.95 33.17 2kup s ARG 52 CO 0.59 -1.90 1.07 0.39 0.00 0.00 0.00 175.30 175.45 2kup n GLU 53 N -2.64 1.51 -1.81 5.12 -0.58 -1.26 -4.81 120.64 116.16 2kup n GLU 53 Ca 0.14 0.54 -0.33 0.00 -0.42 0.00 0.00 57.16 57.09 2kup n GLU 53 Cb 0.50 -2.09 0.04 0.00 -0.57 0.00 0.00 31.44 29.31 2kup n GLU 53 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kup s ALA 54 N -1.22 2.52 -0.12 0.62 0.00 -1.26 -4.93 121.76 117.36 2kup s ALA 54 Ca 0.62 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 2kup s ALA 54 Cb -0.57 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 2kup s ALA 54 CO 0.58 -1.19 -0.00 0.08 0.00 0.00 0.00 175.76 175.22 2kup s VAL 55 N -2.33 4.26 0.06 0.00 1.01 -0.49 -4.96 120.40 117.96 2kup s VAL 55 Ca 0.67 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.45 2kup s VAL 55 Cb -0.20 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2kup s VAL 55 CO 0.40 0.54 -0.13 -0.13 0.00 0.00 0.00 175.10 175.79 2kup s ARG 56 N -0.27 0.77 -0.11 2.72 0.52 -1.26 -0.46 118.95 120.86 2kup s ARG 56 Ca 0.06 -0.91 -0.03 0.00 -0.52 0.00 0.00 55.73 54.33 2kup s ARG 56 Cb -0.12 -0.73 0.05 0.00 0.52 0.00 0.00 34.95 34.66 2kup s ARG 56 CO 0.02 0.16 0.12 -1.58 0.02 0.00 0.00 175.30 174.04 2kup s TRP 57 N -1.27 -0.03 0.43 -0.53 0.51 -0.52 -4.53 118.94 113.00 2kup s TRP 57 Ca -0.03 0.24 -0.24 0.00 -2.12 0.00 0.00 56.10 53.95 2kup s TRP 57 Cb -0.10 -0.44 -0.08 0.00 -0.81 0.00 0.00 33.47 32.04 2kup s TRP 57 CO 0.02 -0.34 1.18 -1.25 -0.51 0.00 0.00 176.95 176.05 2kup s PRO 58 N 2.23 3.88 0.62 4.98 0.04 -1.26 -1.36 135.00 144.12 2kup s PRO 58 Ca 0.04 1.85 0.38 0.00 0.04 0.00 0.00 61.00 63.31 2kup s PRO 58 Cb -0.13 -2.54 2.06 0.00 0.04 0.00 0.00 34.50 33.92 2kup s PRO 58 CO -0.06 -0.47 2.27 1.88 0.04 0.00 0.00 177.00 180.66 2kup h TYR 59 N 2.33 0.00 -0.23 0.56 0.05 -1.96 -2.17 116.97 115.55 2kup h TYR 59 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2kup h TYR 59 Cb 1.24 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.97 2kup h TYR 59 CO 0.54 0.02 0.14 1.25 -1.05 0.00 0.00 178.16 179.06 2kup h LEU 60 N 0.00 0.27 0.00 3.88 6.46 -1.93 -3.21 115.31 120.77 2kup h LEU 60 Ca -0.00 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2kup h LEU 60 Cb 0.09 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 2kup h LEU 60 CO 0.00 0.23 -0.01 0.00 -0.62 0.00 0.00 178.44 178.04 2kup s LEU 62 N -5.10 4.32 0.06 0.00 1.43 -1.20 -1.57 118.68 116.62 2kup s LEU 62 Ca 0.09 2.32 0.04 0.00 -1.03 0.00 0.00 54.13 55.56 2kup s LEU 62 Cb 0.10 -3.53 -0.24 0.00 0.03 0.00 0.00 46.19 42.55 2kup s LEU 62 CO 0.62 -0.99 1.05 0.03 0.23 0.00 0.00 176.35 177.29 2kup h ARG 63 N 9.96 0.10 -2.17 1.70 2.47 -1.25 -3.48 114.38 121.71 2kup h ARG 63 Ca -0.42 -0.17 0.13 0.00 -1.26 0.00 0.00 59.98 58.27 2kup h ARG 63 Cb 1.19 0.06 -0.15 0.00 -1.65 0.00 0.00 29.97 29.42 2kup h ARG 63 CO 0.95 0.97 0.54 -0.98 0.56 0.00 0.00 179.97 182.01 2kup s ARG 64 N -2.66 0.77 -0.18 0.04 1.70 -1.24 -5.01 118.95 112.37 2kup s ARG 64 Ca -0.03 -0.30 -0.05 0.00 -0.47 0.00 0.00 55.73 54.88 2kup s ARG 64 Cb 0.08 0.35 0.09 0.00 -0.57 0.00 0.00 34.95 34.90 2kup s ARG 64 CO 0.84 -0.34 0.34 1.52 -1.08 0.00 0.00 175.30 176.58 2kup s TYR 65 N -3.03 -0.62 0.26 5.89 1.13 -1.26 -2.11 117.35 117.60 2kup s TYR 65 Ca 0.06 1.06 0.05 0.00 -1.41 0.00 0.00 57.07 56.83 2kup s TYR 65 Cb -0.01 0.06 -0.06 0.00 -1.10 0.00 0.00 41.96 40.86 2kup s TYR 65 CO -0.08 -0.50 -0.02 0.20 -2.51 0.00 0.00 175.55 172.65 2kup s GLY 66 N 2.50 1.70 0.30 5.49 0.00 -0.12 -5.02 107.32 112.18 2kup s GLY 66 Ca 0.03 -1.84 0.03 0.00 0.00 0.00 0.00 44.72 42.94 2kup s GLY 66 CO -0.12 -1.74 0.28 -2.52 0.00 0.00 0.00 173.10 169.00 2kup s TYR 67 N -3.26 1.48 0.00 1.90 1.13 -1.26 -1.76 117.35 115.58 2kup s TYR 67 Ca 0.29 -1.52 0.00 0.00 -1.41 0.00 0.00 57.07 54.44 2kup s TYR 67 Cb 0.05 -0.56 0.00 0.00 -1.10 0.00 0.00 41.96 40.36 2kup s TYR 67 CO 0.10 -0.86 0.00 -3.47 -2.51 0.00 0.00 175.55 168.81 2kup n ASP 68 N -1.20 0.00 0.26 -0.18 -0.08 -0.35 -4.93 116.55 110.07 2kup n ASP 68 Ca 0.05 -0.80 0.16 0.00 -1.51 0.00 0.00 54.79 52.69 2kup n ASP 68 Cb 0.63 0.00 0.58 0.00 2.34 0.00 0.00 41.12 44.67 2kup n ASP 68 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2kup h SER 69 N 0.00 0.00 0.00 1.67 0.87 -1.96 -3.38 113.55 110.75 2kup h SER 69 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kup h SER 69 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kup h SER 69 CO 0.00 0.00 0.00 -3.20 -0.53 0.00 0.00 176.83 173.10 2kup n ASN 70 N -3.04 0.00 -3.83 6.23 5.15 -1.26 -4.75 115.26 113.76 2kup n ASN 70 Ca 0.01 -1.00 -0.18 0.00 -0.60 0.00 0.00 54.58 52.82 2kup n ASN 70 Cb 0.35 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.43 2kup n ASN 70 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2kup s LEU 71 N 0.00 1.20 -0.03 1.20 1.98 -1.25 -1.29 118.68 120.49 2kup s LEU 71 Ca 0.00 -0.05 0.06 0.00 -2.89 0.00 0.00 54.13 51.25 2kup s LEU 71 Cb 0.00 -0.27 -0.01 0.00 0.66 0.00 0.00 46.19 46.57 2kup s LEU 71 CO 0.00 -0.09 -0.20 0.12 -1.89 0.00 0.00 176.35 174.29 2kup s PHE 72 N 1.00 1.84 0.02 5.38 5.36 -0.21 -1.21 117.98 130.16 2kup s PHE 72 Ca -0.10 -0.43 -0.19 0.00 -0.96 0.00 0.00 56.93 55.25 2kup s PHE 72 Cb -0.14 -1.21 0.04 0.00 -0.34 0.00 0.00 43.02 41.38 2kup s PHE 72 CO -0.01 -0.09 0.43 0.45 -1.46 0.00 0.00 175.22 174.53 2kup s SER 73 N -0.28 -0.32 0.03 6.13 0.15 -0.72 -0.47 113.70 118.22 2kup s SER 73 Ca 0.03 0.13 -0.15 0.00 0.70 0.00 0.00 55.95 56.65 2kup s SER 73 Cb -0.10 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.65 2kup s SER 73 CO 0.01 -0.60 0.34 0.72 1.20 0.00 0.00 173.24 174.90 2kup s PHE 74 N -2.00 -0.17 -0.02 3.44 -0.12 -0.97 -0.94 117.98 117.20 2kup s PHE 74 Ca -0.08 0.13 0.02 0.00 -0.05 0.00 0.00 56.93 56.95 2kup s PHE 74 Cb -0.02 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 2kup s PHE 74 CO 0.01 -0.50 -0.07 -2.00 -0.05 0.00 0.00 175.22 172.62 2kup s GLU 75 N -2.21 2.62 0.08 1.99 2.12 -0.90 -1.86 118.70 120.54 2kup s GLU 75 Ca -0.07 -0.66 0.06 0.00 0.36 0.00 0.00 54.97 54.66 2kup s GLU 75 Cb -0.02 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.81 2kup s GLU 75 CO -0.01 0.63 -0.16 0.45 -0.54 0.00 0.00 175.26 175.63 2kup s SER 76 N -1.18 1.90 0.69 -1.70 0.15 -1.06 -0.74 113.70 111.76 2kup s SER 76 Ca 0.15 -0.65 -0.12 0.00 0.70 0.00 0.00 55.95 56.03 2kup s SER 76 Cb -0.11 -0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.14 2kup s SER 76 CO 0.05 -0.06 1.07 -0.83 1.20 0.00 0.00 173.24 174.68 2kup s GLY 77 N -1.86 1.80 0.64 9.45 0.00 -0.61 -3.60 107.32 113.14 2kup s GLY 77 Ca 0.01 0.23 0.41 0.00 0.00 0.00 0.00 44.72 45.38 2kup s GLY 77 CO 0.03 0.56 2.32 3.21 0.00 0.00 0.00 173.10 179.21 2kup h ARG 78 N -0.55 0.00 0.00 2.90 3.08 -1.92 -2.73 114.38 115.16 2kup h ARG 78 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2kup h ARG 78 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2kup h ARG 78 CO 0.55 0.00 -0.01 2.89 -1.07 0.00 0.00 179.97 182.34 2kup n ARG 79 N -3.21 0.24 -1.57 0.04 1.85 -1.26 -4.24 116.66 108.51 2kup n ARG 79 Ca -0.03 0.20 -0.28 0.00 -1.00 0.00 0.00 57.85 56.74 2kup n ARG 79 Cb 0.10 -1.78 0.21 0.00 -1.05 0.00 0.00 32.46 29.94 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 0.00 0.31 0.00 0.00 -0.00 -1.90 -2.86 115.11 110.65 2kup h GLN 81 Ca -0.41 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.65 58.09 2kup h GLN 81 Cb 1.16 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.55 2kup h GLN 81 CO 0.28 0.20 -0.76 1.79 0.00 0.00 0.00 178.83 180.35 2kup h THR 82 N 0.32 0.96 0.00 2.39 1.35 -1.94 -3.51 112.91 112.48 2kup h THR 82 Ca 0.19 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 2kup h THR 82 Cb 0.17 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2kup h THR 82 CO -0.19 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 2kup n GLY 83 N 1.28 -1.74 3.71 5.82 0.00 -1.08 -4.93 105.19 108.25 2kup n GLY 83 Ca -0.01 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 2kup n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kup s GLN 84 N 0.00 4.25 0.00 1.61 0.74 -1.26 -4.60 119.66 120.40 2kup s GLN 84 Ca 0.00 2.24 0.00 0.00 0.05 0.00 0.00 55.36 57.65 2kup s GLN 84 Cb 0.00 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.79 2kup s GLN 84 CO 0.00 -0.59 0.00 0.41 -0.55 0.00 0.00 175.29 174.56 2kup n GLY 85 N 3.73 1.89 3.41 2.59 0.00 -1.24 -5.01 105.19 110.56 2kup n GLY 85 Ca 0.14 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.00 2.93 -0.06 -0.61 1.01 -1.26 -2.56 121.20 118.64 2kup s ILE 86 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.91 2kup s ILE 86 Cb 0.00 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.33 2kup s ILE 86 CO 0.00 0.57 -0.07 -0.36 0.00 0.00 0.00 174.94 175.08 2kup s PHE 87 N -0.30 1.06 -0.01 3.97 0.08 -0.78 -5.01 117.98 117.00 2kup s PHE 87 Ca 0.02 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.75 2kup s PHE 87 Cb -0.13 -0.89 -0.02 0.00 -0.57 0.00 0.00 43.02 41.41 2kup s PHE 87 CO 0.03 -0.28 -0.22 0.00 -0.10 0.00 0.00 175.22 174.64 2kup s ALA 88 N 1.09 1.82 -0.03 5.36 0.00 -1.26 -2.29 121.76 126.46 2kup s ALA 88 Ca -0.08 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 2kup s ALA 88 Cb -0.14 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.57 2kup s ALA 88 CO -0.01 0.44 0.06 -0.06 0.00 0.00 0.00 175.76 176.19 2kup s PHE 89 N -0.56 -0.01 0.18 0.00 0.40 0.38 -1.38 117.98 116.99 2kup s PHE 89 Ca 0.08 0.23 -0.30 0.00 -0.60 0.00 0.00 56.93 56.34 2kup s PHE 89 Cb -0.09 -0.24 -0.08 0.00 0.51 0.00 0.00 43.02 43.13 2kup s PHE 89 CO -0.00 -0.12 1.12 0.15 0.70 0.00 0.00 175.22 177.07 2kup s LYS 90 N 1.27 4.57 -0.29 0.44 1.02 0.12 -1.04 119.74 125.84 2kup s LYS 90 Ca -0.07 1.76 -0.25 0.00 0.02 0.00 0.00 55.97 57.43 2kup s LYS 90 Cb -0.13 -3.26 0.15 0.00 -0.52 0.00 0.00 37.83 34.07 2kup s LYS 90 CO -0.04 0.04 1.20 0.00 -0.92 0.00 0.00 175.35 175.64 2kup h SER 92 N 3.76 0.00 -0.60 0.00 0.02 -1.85 -3.16 113.55 111.72 2kup h SER 92 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2kup h SER 92 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2kup h SER 92 CO 0.14 0.01 0.00 0.54 -1.14 0.00 0.00 176.83 176.38 2kup n ARG 93 N -3.11 4.39 -0.35 3.45 1.74 -1.26 -4.71 116.66 116.80 2kup n ARG 93 Ca 0.00 -3.05 0.17 0.00 -0.77 0.00 0.00 57.85 54.19 2kup n ARG 93 Cb 0.28 -2.11 0.37 0.00 -1.02 0.00 0.00 32.46 29.98 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 3.97 1.77 -0.37 7.54 0.00 -1.82 -0.23 119.26 130.11 2kup h ALA 94 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2kup h ALA 94 Cb 1.76 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2kup h ALA 94 CO 0.38 -0.22 -0.27 1.49 0.00 0.00 0.00 179.25 180.64 2kup h GLU 95 N 0.62 0.78 -0.21 0.00 4.81 -1.85 -1.87 114.58 116.86 2kup h GLU 95 Ca 0.63 -0.34 -0.10 0.00 -0.13 0.00 0.00 59.36 59.42 2kup h GLU 95 Cb 1.15 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2kup h GLU 95 CO -0.45 0.95 -0.30 0.93 -0.73 0.00 0.00 179.01 179.42 2kup h GLU 96 N 0.67 0.42 -0.27 1.92 4.39 -1.43 0.12 114.58 120.39 2kup h GLU 96 Ca 0.08 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2kup h GLU 96 Cb 0.79 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2kup h GLU 96 CO 0.07 0.68 0.05 0.82 -1.16 0.00 0.00 179.01 179.46 2kup h ILE 97 N 0.36 1.22 -0.70 3.13 2.04 -1.26 -1.27 117.51 121.03 2kup h ILE 97 Ca 0.05 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.17 2kup h ILE 97 Cb 0.71 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 2kup h ILE 97 CO 0.05 0.24 0.46 0.15 0.00 0.00 0.00 178.15 179.05 2kup h PHE 98 N 0.27 0.86 -0.45 1.37 3.57 -1.03 -0.25 116.94 121.29 2kup h PHE 98 Ca 0.08 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 2kup h PHE 98 Cb 0.31 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2kup h PHE 98 CO 0.02 0.53 -0.10 -0.91 -2.23 0.00 0.00 178.31 175.62 2kup h ASN 99 N 0.92 0.79 0.78 0.41 2.35 -0.71 -3.20 115.58 116.93 2kup h ASN 99 Ca 0.26 -0.24 -0.25 0.00 -0.55 0.00 0.00 56.30 55.53 2kup h ASN 99 Cb -0.08 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 2kup h ASN 99 CO -0.07 0.92 -1.17 0.25 -1.65 0.00 0.00 177.43 175.72 2kup h LEU 100 N 0.73 0.22 -0.15 1.61 5.85 -0.97 -3.33 115.31 119.26 2kup h LEU 100 Ca 0.12 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2kup h LEU 100 Cb 0.59 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2kup h LEU 100 CO 0.04 1.19 -0.07 -0.07 -0.34 0.00 0.00 178.44 179.19 2kup h LEU 101 N 0.04 -0.22 -1.85 2.25 3.38 -1.04 -1.37 115.31 116.50 2kup h LEU 101 Ca -0.09 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kup h LEU 101 Cb 1.89 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2kup h LEU 101 CO 0.16 -0.09 0.00 0.06 0.09 0.00 0.00 178.44 178.66 2kup h GLN 102 N -0.05 0.00 0.14 1.13 3.07 -1.69 -1.27 115.11 116.45 2kup h GLN 102 Ca 0.08 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.58 2kup h GLN 102 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.74 2kup h GLN 102 CO -0.18 0.00 -1.15 -0.44 0.09 0.00 0.00 178.83 177.15 2kup h ASP 103 N 0.00 0.47 0.68 0.06 5.19 -1.50 -3.34 116.42 117.98 2kup h ASP 103 Ca 0.00 -0.91 -0.10 0.00 -0.62 0.00 0.00 57.03 55.40 2kup h ASP 103 Cb 0.28 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 2kup h ASP 103 CO 0.00 1.53 -0.47 -0.07 -3.12 0.00 0.00 179.24 177.10 2kup h LEU 104 N -0.29 0.00 -1.97 1.55 3.38 -0.88 0.18 115.31 117.28 2kup h LEU 104 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2kup h LEU 104 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2kup h LEU 104 CO 0.12 0.47 0.00 0.24 0.09 0.00 0.00 178.44 179.37 2kup h MET 105 N 0.00 0.00 0.00 1.13 2.86 -1.40 -2.94 114.93 114.58 2kup h MET 105 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kup h MET 105 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2kup h MET 105 CO 0.06 0.00 -0.55 0.00 1.06 0.00 0.00 176.91 177.48 2kup n GLN 106 N -2.61 2.77 -0.11 1.72 10.64 -0.67 -4.69 117.38 124.43 2kup n GLN 106 Ca -0.02 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.26 2kup n GLN 106 Cb 0.08 -0.75 0.33 0.00 -0.86 0.00 0.00 30.24 29.03 2kup n GLN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kup s ASN 108 N -1.52 2.51 -1.22 0.00 4.22 -1.11 -4.93 114.94 112.88 2kup s ASN 108 Ca 0.33 1.28 -0.21 0.00 -2.14 0.00 0.00 52.86 52.12 2kup s ASN 108 Cb 0.18 -1.96 -0.03 0.00 1.28 0.00 0.00 41.25 40.72 2kup s ASN 108 CO 0.27 -3.21 1.87 -1.20 -2.04 0.00 0.00 177.10 172.78 2kup n SER 109 N -4.24 3.74 0.02 3.54 7.64 -1.26 -4.45 113.62 118.61 2kup n SER 109 Ca 0.05 -2.78 -0.00 0.00 1.01 0.00 0.00 58.87 57.15 2kup n SER 109 Cb 0.57 -1.73 -0.00 0.00 -1.01 0.00 0.00 64.21 62.03 2kup n SER 109 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2kup n ILE 110 N 7.25 0.58 -0.28 0.44 2.08 -1.26 -4.76 119.36 123.40 2kup n ILE 110 Ca 0.47 0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.96 2kup n ILE 110 Cb 0.46 -1.55 0.00 0.00 -0.75 0.00 0.00 39.64 37.81 2kup n ILE 110 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2kup n ASN 111 N -3.24 4.28 -3.40 4.38 3.02 -1.26 -4.52 115.26 114.53 2kup n ASN 111 Ca -0.00 -2.13 -0.03 0.00 -0.03 0.00 0.00 54.58 52.39 2kup n ASN 111 Cb 0.28 -0.89 -0.05 0.00 -0.61 0.00 0.00 39.78 38.50 2kup n ASN 111 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kup s VAL 112 N 0.30 -0.84 0.34 2.41 0.11 -1.26 -5.16 120.40 116.30 2kup s VAL 112 Ca 0.00 0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 58.80 2kup s VAL 112 Cb 0.00 -0.89 -0.13 0.00 -1.53 0.00 0.00 36.38 33.83 2kup s VAL 112 CO 0.00 -0.02 0.91 1.15 -3.33 0.00 0.00 175.10 173.81 2kup n MET 113 N 5.41 1.15 -2.70 1.54 0.00 -1.26 -5.02 117.12 116.24 2kup n MET 113 Ca -0.05 0.41 -0.07 0.00 0.00 0.00 0.00 57.70 57.98 2kup n MET 113 Cb 0.50 -1.79 -0.02 0.00 0.00 0.00 0.00 33.22 31.91 2kup n MET 113 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2kup n GLU 114 N 0.57 0.29 -1.86 3.17 0.00 -1.26 -5.12 120.64 116.43 2kup n GLU 114 Ca 0.10 -1.28 -0.40 0.00 0.00 0.00 0.00 57.16 55.59 2kup n GLU 114 Cb 0.35 1.19 0.01 0.00 0.00 0.00 0.00 31.44 32.99 2kup n GLU 114 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2kup s GLU 115 N -2.40 3.70 0.67 3.44 0.41 -1.26 -4.99 118.70 118.28 2kup s GLU 115 Ca 0.14 2.34 -0.15 0.00 -0.41 0.00 0.00 54.97 56.88 2kup s GLU 115 Cb -0.00 -2.64 0.01 0.00 -1.78 0.00 0.00 34.13 29.72 2kup s GLU 115 CO 0.10 -0.78 1.14 -1.25 -0.49 0.00 0.00 175.26 173.98 2kup s PRO 116 N -2.45 2.66 -0.03 0.39 0.04 -1.26 -5.06 135.00 129.29 2kup s PRO 116 Ca 0.61 1.52 0.04 0.00 0.04 0.00 0.00 61.00 63.21 2kup s PRO 116 Cb -0.42 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 2kup s PRO 116 CO 0.54 -1.38 -0.16 0.54 0.04 0.00 0.00 177.00 176.57 2kup s VAL 117 N -2.19 1.30 -0.21 -0.36 0.11 -1.26 -5.13 120.40 112.65 2kup s VAL 117 Ca 0.70 -0.66 -0.17 0.00 -2.93 0.00 0.00 61.98 58.92 2kup s VAL 117 Cb -0.23 -1.11 -0.03 0.00 -1.53 0.00 0.00 36.38 33.47 2kup s VAL 117 CO 0.41 0.37 0.45 -0.63 -3.33 0.00 0.00 175.10 172.38 2kup s ILE 118 N -0.06 5.15 -0.09 7.04 1.09 -1.26 -4.96 121.20 128.10 2kup s ILE 118 Ca -0.01 0.81 0.13 0.00 -1.10 0.00 0.00 60.65 60.48 2kup s ILE 118 Cb -0.10 -3.78 0.22 0.00 -1.06 0.00 0.00 42.46 37.74 2kup s ILE 118 CO 0.01 0.20 1.11 2.30 -0.10 0.00 0.00 174.94 178.46 2kup n ILE 119 N 4.57 1.29 -1.87 2.92 -6.64 -1.26 -5.10 119.36 113.28 2kup n ILE 119 Ca -0.06 -1.63 -0.38 0.00 -1.77 0.00 0.00 62.75 58.91 2kup n ILE 119 Cb 0.51 0.02 0.03 0.00 -1.44 0.00 0.00 39.64 38.76 2kup n ILE 119 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 2kup s THR 120 N -1.96 2.26 0.13 7.28 -4.23 -1.26 -5.03 115.64 112.83 2kup s THR 120 Ca 0.23 0.20 -0.26 0.00 -1.18 0.00 0.00 61.69 60.68 2kup s THR 120 Cb 0.21 -3.10 0.07 0.00 1.34 0.00 0.00 72.50 71.02 2kup s THR 120 CO 0.01 -0.00 1.02 0.00 -0.54 0.00 0.00 174.62 175.11 2kup s ARG 121 N -2.86 1.08 0.28 3.99 1.70 -1.26 -5.16 118.95 116.73 2kup s ARG 121 Ca 0.70 -0.61 -0.29 0.00 -0.47 0.00 0.00 55.73 55.06 2kup s ARG 121 Cb -0.38 0.36 -0.10 0.00 -0.57 0.00 0.00 34.95 34.26 2kup s ARG 121 CO 0.46 -0.50 1.32 -0.80 -1.08 0.00 0.00 175.30 174.70 2kup s ASN 122 N -2.99 6.80 -0.28 -2.89 0.01 -1.26 -5.04 114.94 109.29 2kup s ASN 122 Ca 0.13 2.60 -0.05 0.00 -0.71 0.00 0.00 52.86 54.84 2kup s ASN 122 Cb -0.00 -2.63 0.01 0.00 0.41 0.00 0.00 41.25 39.04 2kup s ASN 122 CO 0.02 -0.54 0.03 -0.94 -1.51 0.00 0.00 177.10 174.15 2kup s SER 123 N -0.17 4.83 0.29 -1.22 1.04 -1.26 -5.11 113.70 112.10 2kup s SER 123 Ca 0.52 -0.76 -0.18 0.00 0.48 0.00 0.00 55.95 56.01 2kup s SER 123 Cb -0.39 -1.80 -0.09 0.00 0.10 0.00 0.00 66.02 63.84 2kup s SER 123 CO 0.47 -0.17 0.76 -1.00 0.98 0.00 0.00 173.24 174.28 2kup s HIS 124 N 1.43 3.49 0.76 5.02 3.76 -1.26 -5.07 115.29 123.42 2kup s HIS 124 Ca 0.02 1.34 -0.11 0.00 -0.15 0.00 0.00 55.06 56.16 2kup s HIS 124 Cb -0.17 -2.61 0.05 0.00 1.11 0.00 0.00 32.58 30.96 2kup s HIS 124 CO -0.00 0.18 1.09 -1.25 -0.85 0.00 0.00 174.74 173.91 2kup s PRO 125 N -2.56 2.36 -0.02 8.40 0.04 -1.26 -5.08 135.00 136.88 2kup s PRO 125 Ca 0.50 1.16 -0.23 0.00 0.04 0.00 0.00 61.00 62.48 2kup s PRO 125 Cb -0.13 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.55 2kup s PRO 125 CO 0.19 -1.57 0.50 0.00 0.04 0.00 0.00 177.00 176.16 2kup s ALA 126 N -2.88 -1.28 0.03 8.56 0.00 -1.26 -5.15 121.76 119.78 2kup s ALA 126 Ca 0.61 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 2kup s ALA 126 Cb -0.17 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 2kup s ALA 126 CO 0.55 -0.35 1.14 -2.00 0.00 0.00 0.00 175.76 175.11 2kup s GLU 127 N -1.46 4.45 0.37 0.00 2.12 -1.26 -5.05 118.70 117.88 2kup s GLU 127 Ca -0.11 1.67 -0.16 0.00 0.36 0.00 0.00 54.97 56.73 2kup s GLU 127 Cb -0.02 -3.40 -0.09 0.00 0.26 0.00 0.00 34.13 30.88 2kup s GLU 127 CO 0.06 -0.23 0.81 -0.51 -0.54 0.00 0.00 175.26 174.85 2kup s LEU 128 N 1.19 3.97 -0.08 2.70 1.43 -1.26 -5.10 118.68 121.54 2kup s LEU 128 Ca 0.57 1.38 -0.22 0.00 -1.03 0.00 0.00 54.13 54.82 2kup s LEU 128 Cb -0.27 -4.21 0.05 0.00 0.03 0.00 0.00 46.19 41.79 2kup s LEU 128 CO 0.28 -0.30 0.51 -0.62 0.23 0.00 0.00 176.35 176.46 2kup s ASP 129 N -2.43 -0.47 0.13 2.29 2.15 -1.26 -5.18 116.67 111.91 2kup s ASP 129 Ca 0.56 0.61 -0.10 0.00 0.43 0.00 0.00 52.55 54.04 2kup s ASP 129 Cb -0.10 0.62 -0.06 0.00 -0.30 0.00 0.00 42.92 43.08 2kup s ASP 129 CO 0.19 -0.43 0.46 -1.48 -0.17 0.00 0.00 175.17 173.74 2kup s LEU 130 N -0.81 4.30 0.36 -1.34 0.05 -1.26 -5.09 118.68 114.90 2kup s LEU 130 Ca -0.09 0.86 -0.25 0.00 0.05 0.00 0.00 54.13 54.71 2kup s LEU 130 Cb -0.03 -3.23 -0.10 0.00 -2.05 0.00 0.00 46.19 40.78 2kup s LEU 130 CO 0.05 0.09 0.99 -2.16 -0.55 0.00 0.00 176.35 174.77 2kup s PRO 131 N -2.19 4.39 0.59 1.48 0.04 -1.26 -5.05 135.00 133.00 2kup s PRO 131 Ca 0.38 1.38 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 2kup s PRO 131 Cb -0.13 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 2kup s PRO 131 CO 0.20 0.09 1.11 0.50 0.04 0.00 0.00 177.00 178.94 2kup s ARG 132 N -2.33 3.18 0.03 4.56 3.52 -1.26 -5.08 118.95 121.56 2kup s ARG 132 Ca 0.54 1.46 -0.06 0.00 -0.13 0.00 0.00 55.73 57.55 2kup s ARG 132 Cb -0.19 -1.99 -0.01 0.00 -1.56 0.00 0.00 34.95 31.20 2kup s ARG 132 CO 0.24 -0.96 0.10 0.00 -0.81 0.00 0.00 175.30 173.87 2kup s ALA 133 N -2.08 -0.13 1.04 6.12 0.00 -1.26 -5.18 121.76 120.27 2kup s ALA 133 Ca 0.69 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 52.07 2kup s ALA 133 Cb -0.21 0.20 0.21 0.00 0.00 0.00 0.00 23.12 23.32 2kup s ALA 133 CO 0.33 -0.27 1.16 -1.25 0.00 0.00 0.00 175.76 175.73 2kup s PRO 134 N -2.13 0.07 0.04 0.00 0.04 -1.26 -5.11 135.00 126.65 2kup s PRO 134 Ca -0.09 0.03 0.05 0.00 0.04 0.00 0.00 61.00 61.03 2kup s PRO 134 Cb -0.04 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 2kup s PRO 134 CO -0.02 -2.87 -0.14 -0.65 0.04 0.00 0.00 177.00 173.35 2kup s GLN 135 N -5.42 0.94 0.45 4.56 -0.21 -1.26 -5.15 119.66 113.58 2kup s GLN 135 Ca 0.69 -0.76 -0.22 0.00 0.02 0.00 0.00 55.36 55.08 2kup s GLN 135 Cb -0.11 -0.95 -0.08 0.00 1.00 0.00 0.00 33.01 32.87 2kup s GLN 135 CO 0.55 0.24 1.10 -1.25 -2.12 0.00 0.00 175.29 173.80 2kup s PRO 136 N -1.14 3.86 0.50 2.91 0.04 -1.26 -5.03 135.00 134.89 2kup s PRO 136 Ca 0.02 1.60 -0.20 0.00 0.04 0.00 0.00 61.00 62.46 2kup s PRO 136 Cb -0.08 -2.36 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 2kup s PRO 136 CO 0.01 -0.42 1.04 -1.25 0.04 0.00 0.00 177.00 176.42 2kup s PRO 137 N -2.78 3.75 0.61 0.56 0.04 -1.26 -5.07 135.00 130.85 2kup s PRO 137 Ca 0.63 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 2kup s PRO 137 Cb -0.24 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2kup s PRO 137 CO 0.29 -0.47 0.94 -0.80 0.04 0.00 0.00 177.00 177.00 2kup s ASN 138 N -2.09 5.63 0.22 6.66 -0.87 -1.26 -5.12 114.94 118.10 2kup s ASN 138 Ca 0.67 0.84 -0.13 0.00 -1.57 0.00 0.00 52.86 52.67 2kup s ASN 138 Cb -0.16 -1.82 0.00 0.00 -0.02 0.00 0.00 41.25 39.25 2kup s ASN 138 CO 0.22 -1.08 0.45 0.00 -2.57 0.00 0.00 177.10 174.12 2kup s ALA 139 N -3.06 -0.36 0.20 0.60 0.00 -1.26 -5.20 121.76 112.68 2kup s ALA 139 Ca 0.54 -0.72 -0.18 0.00 0.00 0.00 0.00 51.96 51.61 2kup s ALA 139 Cb -0.11 0.97 0.03 0.00 0.00 0.00 0.00 23.12 24.01 2kup s ALA 139 CO 0.47 -0.80 0.53 -0.48 0.00 0.00 0.00 175.76 175.48 2kup s LEU 140 N -2.97 0.04 0.00 0.00 -0.00 -1.26 -5.19 118.68 109.30 2kup s LEU 140 Ca 0.18 -0.49 0.00 0.00 -0.00 0.00 0.00 54.13 53.82 2kup s LEU 140 Cb 0.00 2.18 0.00 0.00 -0.00 0.00 0.00 46.19 48.37 2kup s LEU 140 CO 0.04 -1.07 0.00 0.61 -0.00 0.00 0.00 176.35 175.93 2kup n GLY 141 N -0.35 6.41 3.73 -3.48 0.00 -1.26 -5.20 105.19 105.04 2kup n GLY 141 Ca -0.10 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 2kup n GLY 141 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kup s TYR 142 N 1.24 0.24 0.34 1.61 1.13 -1.26 -5.20 117.35 115.44 2kup s TYR 142 Ca 0.00 -0.74 -0.11 0.00 -1.41 0.00 0.00 57.07 54.82 2kup s TYR 142 Cb 0.00 0.55 0.02 0.00 -1.10 0.00 0.00 41.96 41.43 2kup s TYR 142 CO 0.00 -1.32 0.62 -0.08 -2.51 0.00 0.00 175.55 172.25 2kup s THR 143 N -3.11 0.00 -0.15 -3.49 -1.32 -1.26 -5.19 115.64 101.11 2kup s THR 143 Ca 0.18 -1.29 -0.30 0.00 -1.21 0.00 0.00 61.69 59.07 2kup s THR 143 Cb -0.04 -2.61 0.11 0.00 -1.51 0.00 0.00 72.50 68.46 2kup s THR 143 CO 0.11 0.00 0.93 0.54 -2.21 0.00 0.00 174.62 173.99 2kup s VAL 144 N -3.00 0.00 -0.01 5.08 0.11 -1.26 -5.20 120.40 116.12 2kup s VAL 144 Ca 0.22 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.02 2kup s VAL 144 Cb -0.03 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.88 2kup s VAL 144 CO 0.14 0.00 0.54 -0.94 -3.33 0.00 0.00 175.10 171.51 2kup s SER 145 N -0.98 -0.48 0.00 3.54 1.04 -1.26 -5.40 113.70 110.17 2kup s SER 145 Ca -0.03 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2kup s SER 145 Cb -0.01 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2kup s SER 145 CO 0.03 -0.60 0.00 -1.20 0.98 0.00 0.00 173.24 172.45