#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 -0.56 0.21 1.61 0.15 -1.26 -5.20 113.70 108.66 2kup s SER 2 Ca 0.00 0.27 -0.22 0.00 0.70 0.00 0.00 55.95 56.71 2kup s SER 2 Cb 0.00 0.53 0.07 0.00 -1.71 0.00 0.00 66.02 64.91 2kup s SER 2 CO 0.00 -0.76 0.97 -0.55 1.20 0.00 0.00 173.24 174.11 2kup s SER 3 N -2.06 -0.04 0.00 5.45 0.15 -1.26 -5.18 113.70 110.76 2kup s SER 3 Ca -0.03 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2kup s SER 3 Cb -0.01 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2kup s SER 3 CO -0.04 -1.10 0.00 0.61 1.20 0.00 0.00 173.24 173.92 2kup n GLY 4 N -0.62 0.63 3.48 9.45 0.00 -1.26 -5.11 105.19 111.77 2kup n GLY 4 Ca -0.05 -1.70 0.01 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.18 -1.06 -0.02 1.61 0.15 -1.26 -5.18 113.70 106.77 2kup s SER 5 Ca 0.00 1.23 -0.30 0.00 0.70 0.00 0.00 55.95 57.59 2kup s SER 5 Cb 0.00 2.12 0.10 0.00 -1.71 0.00 0.00 66.02 66.53 2kup s SER 5 CO 0.00 -0.20 1.04 -0.55 1.20 0.00 0.00 173.24 174.72 2kup s SER 6 N 2.81 -0.23 -0.27 5.45 0.15 -1.26 -5.20 113.70 115.15 2kup s SER 6 Ca 0.00 -0.11 -0.29 0.00 0.70 0.00 0.00 55.95 56.26 2kup s SER 6 Cb -0.11 0.32 0.18 0.00 -1.71 0.00 0.00 66.02 64.70 2kup s SER 6 CO -0.19 -0.55 1.31 -0.83 1.20 0.00 0.00 173.24 174.19 2kup s GLY 7 N -2.58 0.06 0.26 9.45 0.00 -1.26 -5.18 107.32 108.08 2kup s GLY 7 Ca 0.09 2.79 -0.07 0.00 0.00 0.00 0.00 44.72 47.52 2kup s GLY 7 CO -0.05 1.18 0.56 1.08 0.00 0.00 0.00 173.10 175.87 2kup s LEU 8 N -0.92 4.10 0.80 0.66 1.02 -1.26 -5.10 118.68 117.98 2kup s LEU 8 Ca 0.07 0.83 -0.11 0.00 0.02 0.00 0.00 54.13 54.94 2kup s LEU 8 Cb -0.01 -3.62 0.07 0.00 0.02 0.00 0.00 46.19 42.65 2kup s LEU 8 CO -0.07 -0.15 1.09 0.20 0.02 0.00 0.00 176.35 177.44 2kup s ASN 9 N -2.78 4.31 -0.11 2.29 0.01 -1.26 -5.09 114.94 112.31 2kup s ASN 9 Ca 0.46 1.60 -0.09 0.00 -0.71 0.00 0.00 52.86 54.12 2kup s ASN 9 Cb -0.11 -2.32 0.04 0.00 0.41 0.00 0.00 41.25 39.26 2kup s ASN 9 CO 0.26 -2.13 0.29 -0.60 -1.51 0.00 0.00 177.10 173.42 2kup s ARG 10 N -4.98 0.32 0.33 -0.60 6.06 -1.26 -5.08 118.95 113.74 2kup s ARG 10 Ca 0.61 0.47 0.15 0.00 -2.50 0.00 0.00 55.73 54.47 2kup s ARG 10 Cb -0.16 0.09 0.52 0.00 0.06 0.00 0.00 34.95 35.45 2kup s ARG 10 CO 0.56 -0.08 1.67 -0.44 -2.50 0.00 0.00 175.30 174.51 2kup h ASP 11 N 6.15 0.00 -3.79 -2.12 3.32 -2.08 -3.45 116.42 114.46 2kup h ASP 11 Ca -0.30 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 2kup h ASP 11 Cb 1.18 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.49 2kup h ASP 11 CO 0.33 0.48 -0.26 -0.44 -1.72 0.00 0.00 179.24 177.64 2kup s SER 12 N -6.60 -0.43 0.05 6.45 0.01 -1.26 -5.14 113.70 106.78 2kup s SER 12 Ca -0.00 0.82 -0.30 0.00 1.31 0.00 0.00 55.95 57.77 2kup s SER 12 Cb 0.12 0.81 -0.09 0.00 0.21 0.00 0.00 66.02 67.07 2kup s SER 12 CO 0.72 -0.15 1.83 0.54 0.41 0.00 0.00 173.24 176.59 2kup s VAL 13 N 0.38 2.98 0.68 3.43 0.11 -1.26 -5.02 120.40 121.70 2kup s VAL 13 Ca -0.01 0.22 -0.11 0.00 -2.93 0.00 0.00 61.98 59.15 2kup s VAL 13 Cb -0.04 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 2kup s VAL 13 CO -0.01 -0.01 1.06 -2.16 -3.33 0.00 0.00 175.10 170.65 2kup s PRO 14 N 3.61 2.99 0.03 1.54 0.04 -1.26 -4.98 135.00 136.97 2kup s PRO 14 Ca 0.82 0.45 0.13 0.00 0.04 0.00 0.00 61.00 62.44 2kup s PRO 14 Cb -0.42 -2.06 0.57 0.00 0.04 0.00 0.00 34.50 32.63 2kup s PRO 14 CO 0.37 -0.92 1.42 -0.40 0.04 0.00 0.00 177.00 177.51 2kup n ASP 15 N -2.91 0.07 -0.10 6.66 5.75 -1.26 -3.44 116.55 121.32 2kup n ASP 15 Ca 0.06 0.52 0.05 0.00 -0.01 0.00 0.00 54.79 55.41 2kup n ASP 15 Cb 0.57 -0.53 0.07 0.00 -1.03 0.00 0.00 41.12 40.19 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 -1.58 1.77 -4.63 -1.12 0.23 -1.26 -3.95 115.26 104.71 2kup n ASN 16 Ca 0.03 -2.46 -0.40 0.00 -0.53 0.00 0.00 54.58 51.22 2kup n ASN 16 Cb 0.15 -0.24 0.03 0.00 -2.08 0.00 0.00 39.78 37.64 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 -0.86 1.28 0.29 -2.53 -0.00 -1.18 -4.91 115.22 107.30 2kup n HIS 17 Ca 0.08 0.50 0.12 0.00 0.46 0.00 0.00 57.72 58.88 2kup n HIS 17 Cb 0.52 -2.23 0.55 0.00 -0.12 0.00 0.00 29.99 28.71 2kup n HIS 17 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2kup n PRO 18 N -0.26 0.18 0.00 1.57 -0.04 -1.26 -3.50 135.00 131.69 2kup n PRO 18 Ca 0.10 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 2kup n PRO 18 Cb 0.42 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.29 0.00 -4.72 0.52 -2.24 -1.26 -5.02 114.28 99.28 2kup n THR 19 Ca 0.00 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 2kup n THR 19 Cb 0.14 0.42 -0.13 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.38 2.17 -0.04 -0.78 3.01 -1.23 -1.94 119.74 119.56 2kup s LYS 20 Ca 0.00 -0.92 -0.02 0.00 -1.01 0.00 0.00 55.97 54.02 2kup s LYS 20 Cb 0.00 -2.23 0.03 0.00 -1.01 0.00 0.00 37.83 34.62 2kup s LYS 20 CO 0.00 0.56 0.05 -0.06 0.51 0.00 0.00 175.35 176.41 2kup s PHE 21 N -0.88 0.08 0.16 3.18 0.08 0.19 -3.11 117.98 117.69 2kup s PHE 21 Ca 0.14 0.23 -0.30 0.00 0.12 0.00 0.00 56.93 57.12 2kup s PHE 21 Cb -0.11 -0.47 -0.08 0.00 -0.57 0.00 0.00 43.02 41.79 2kup s PHE 21 CO 0.04 -0.19 1.21 0.15 -0.10 0.00 0.00 175.22 176.34 2kup s LYS 22 N 2.07 4.47 0.12 0.44 1.02 -1.25 -0.51 119.74 126.08 2kup s LYS 22 Ca 0.04 1.88 -0.04 0.00 0.02 0.00 0.00 55.97 57.87 2kup s LYS 22 Cb -0.12 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 2kup s LYS 22 CO -0.03 -0.14 0.10 0.14 -0.92 0.00 0.00 175.35 174.50 2kup s VAL 23 N 0.18 0.12 -0.07 3.17 -7.23 -0.28 -4.79 120.40 111.51 2kup s VAL 23 Ca 0.54 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.00 2kup s VAL 23 Cb -0.33 -1.81 0.03 0.00 0.56 0.00 0.00 36.38 34.84 2kup s VAL 23 CO 0.35 -0.56 0.05 -0.89 -0.31 0.00 0.00 175.10 173.74 2kup s THR 24 N -3.98 0.04 0.18 5.32 2.01 -0.77 -0.95 115.64 117.49 2kup s THR 24 Ca 0.17 0.26 -0.31 0.00 0.31 0.00 0.00 61.69 62.12 2kup s THR 24 Cb 0.06 -0.32 -0.10 0.00 0.01 0.00 0.00 72.50 72.15 2kup s THR 24 CO -0.02 0.14 1.53 0.21 -0.69 0.00 0.00 174.62 175.79 2kup s ASN 25 N 2.11 6.61 0.20 3.53 2.47 -0.17 -0.64 114.94 129.04 2kup s ASN 25 Ca 0.05 2.62 0.09 0.00 0.42 0.00 0.00 52.86 56.04 2kup s ASN 25 Cb -0.13 -2.60 -0.04 0.00 -1.45 0.00 0.00 41.25 37.03 2kup s ASN 25 CO -0.04 -0.79 -0.17 0.68 -3.72 0.00 0.00 177.10 173.05 2kup s VAL 26 N 0.86 1.93 0.00 -5.21 -7.23 -0.06 -1.91 120.40 108.78 2kup s VAL 26 Ca 0.67 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2kup s VAL 26 Cb -0.43 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.50 2kup s VAL 26 CO 0.34 -0.42 0.00 -0.90 -0.31 0.00 0.00 175.10 173.81 2kup n ASP 27 N -0.11 0.00 0.25 4.85 5.75 -0.96 -4.44 116.55 121.89 2kup n ASP 27 Ca -0.10 -0.90 0.09 0.00 -0.01 0.00 0.00 54.79 53.87 2kup n ASP 27 Cb 0.59 0.00 0.64 0.00 -1.03 0.00 0.00 41.12 41.32 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 0.85 -1.12 1.82 -2.00 -2.21 116.42 113.76 2kup h ASP 28 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kup h ASP 28 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2kup h ASP 28 CO 0.00 0.08 -0.48 -0.62 -1.61 0.00 0.00 179.24 176.61 2kup n GLU 29 N -4.23 0.20 -0.77 0.28 1.02 -1.26 -4.97 120.64 110.91 2kup n GLU 29 Ca -0.03 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2kup n GLU 29 Cb 0.17 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 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 1.38 0.56 3.81 0.62 0.00 -0.83 -5.08 105.19 105.65 2kup n GLY 30 Ca 0.04 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 4.03 -0.16 1.61 -7.23 -1.26 -4.75 120.40 110.64 2kup s VAL 31 Ca 0.00 1.24 -0.22 0.00 -1.81 0.00 0.00 61.98 61.18 2kup s VAL 31 Cb 0.00 -3.51 -0.03 0.00 0.56 0.00 0.00 36.38 33.41 2kup s VAL 31 CO 0.00 -0.30 0.69 -1.61 -0.31 0.00 0.00 175.10 173.57 2kup s GLU 32 N -3.29 4.28 -0.14 4.82 2.02 -1.26 -2.27 118.70 122.86 2kup s GLU 32 Ca 0.65 0.76 -0.09 0.00 0.02 0.00 0.00 54.97 56.31 2kup s GLU 32 Cb -0.13 -3.55 -0.06 0.00 0.10 0.00 0.00 34.13 30.49 2kup s GLU 32 CO 0.19 -0.19 -0.21 1.28 0.02 0.00 0.00 175.26 176.35 2kup n LEU 33 N 4.81 1.26 -3.73 1.80 4.77 -0.80 -5.03 117.00 120.07 2kup n LEU 33 Ca -0.00 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.07 2kup n LEU 33 Cb 0.50 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2kup n LEU 33 CO 0.46 0.14 0.05 -0.83 -1.33 0.00 0.00 177.39 175.87 2kup s GLY 34 N -5.11 -0.29 0.13 -0.72 0.00 -1.23 -5.04 107.32 95.06 2kup s GLY 34 Ca -0.21 1.21 -0.23 0.00 0.00 0.00 0.00 44.72 45.48 2kup s GLY 34 CO 0.28 1.17 0.71 -1.35 0.00 0.00 0.00 173.10 173.91 2kup s SER 35 N 0.61 7.28 0.21 1.64 1.04 -1.26 -1.00 113.70 122.22 2kup s SER 35 Ca -0.03 1.51 -0.02 0.00 0.48 0.00 0.00 55.95 57.89 2kup s SER 35 Cb -0.05 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 2kup s SER 35 CO -0.04 0.21 0.19 -0.83 0.98 0.00 0.00 173.24 173.75 2kup s GLY 36 N -1.02 1.37 -0.19 7.32 0.00 -0.12 -4.76 107.32 109.92 2kup s GLY 36 Ca 0.34 -1.61 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 2kup s GLY 36 CO 0.24 -1.30 -0.14 0.14 0.00 0.00 0.00 173.10 172.04 2kup s VAL 37 N -4.10 2.60 -0.29 1.40 1.01 -0.67 -1.12 120.40 119.23 2kup s VAL 37 Ca 0.37 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 2kup s VAL 37 Cb 0.06 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2kup s VAL 37 CO 0.12 0.49 0.52 -0.32 0.00 0.00 0.00 175.10 175.92 2kup s MET 38 N 1.34 3.95 -0.15 2.72 1.75 0.33 -1.05 119.30 128.19 2kup s MET 38 Ca 0.05 0.20 -0.03 0.00 -1.25 0.00 0.00 55.69 54.66 2kup s MET 38 Cb -0.14 -3.69 -0.03 0.00 2.84 0.00 0.00 34.83 33.81 2kup s MET 38 CO -0.09 -0.44 -0.04 -2.00 -0.65 0.00 0.00 175.02 171.80 2kup s GLU 39 N 2.36 3.65 -0.23 4.11 2.12 0.48 -0.63 118.70 130.56 2kup s GLU 39 Ca 0.21 -0.52 -0.07 0.00 0.36 0.00 0.00 54.97 54.95 2kup s GLU 39 Cb -0.15 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.31 2kup s GLU 39 CO 0.10 0.25 0.04 -0.51 -0.54 0.00 0.00 175.26 174.61 2kup s LEU 40 N 0.33 3.39 0.46 2.70 1.02 -0.82 -0.94 118.68 124.83 2kup s LEU 40 Ca -0.04 -0.19 0.06 0.00 0.02 0.00 0.00 54.13 53.97 2kup s LEU 40 Cb -0.14 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.15 2kup s LEU 40 CO 0.03 0.01 0.18 0.42 0.02 0.00 0.00 176.35 177.01 2kup s THR 41 N 1.35 1.91 -1.66 5.49 -4.23 -0.92 -4.84 115.64 112.74 2kup s THR 41 Ca 0.05 -1.73 0.16 0.00 -1.18 0.00 0.00 61.69 58.99 2kup s THR 41 Cb -0.15 -2.64 0.35 0.00 1.34 0.00 0.00 72.50 71.40 2kup s THR 41 CO 0.03 0.00 1.41 0.00 -0.54 0.00 0.00 174.62 175.52 2kup n GLN 42 N -1.35 0.34 0.00 3.99 6.02 -1.26 -3.87 117.38 121.25 2kup n GLN 42 Ca -0.05 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2kup n GLN 42 Cb 0.65 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.41 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 -1.17 4.42 -3.60 1.08 2.88 -1.26 -4.21 113.62 111.77 2kup n SER 43 Ca 0.09 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.57 2kup n SER 43 Cb 0.10 0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 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 -1.99 0.94 0.04 -1.46 -1.05 -1.25 -3.97 118.70 109.95 2kup s GLU 44 Ca 0.00 -0.42 -0.22 0.00 -0.15 0.00 0.00 54.97 54.18 2kup s GLU 44 Cb 0.00 0.38 -0.06 0.00 -0.44 0.00 0.00 34.13 34.01 2kup s GLU 44 CO 0.00 -0.42 0.65 -0.51 0.95 0.00 0.00 175.26 175.93 2kup s LEU 45 N -2.66 4.46 -0.05 1.83 1.43 -0.44 -2.17 118.68 121.09 2kup s LEU 45 Ca 0.08 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 2kup s LEU 45 Cb -0.01 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.20 2kup s LEU 45 CO -0.05 0.13 -0.03 -0.69 0.23 0.00 0.00 176.35 175.94 2kup s VAL 46 N -0.43 0.49 -0.20 -1.59 1.01 -0.11 -1.80 120.40 117.77 2kup s VAL 46 Ca 0.33 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 2kup s VAL 46 Cb -0.20 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 2kup s VAL 46 CO 0.20 0.24 0.11 -0.76 0.00 0.00 0.00 175.10 174.89 2kup s LEU 47 N 1.27 4.12 -0.25 3.92 1.43 0.33 -0.38 118.68 129.11 2kup s LEU 47 Ca -0.06 0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.14 2kup s LEU 47 Cb -0.14 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2kup s LEU 47 CO -0.02 0.18 0.15 -1.00 0.23 0.00 0.00 176.35 175.89 2kup s HIS 48 N 0.35 3.22 0.30 0.29 3.76 -0.21 -1.33 115.29 121.67 2kup s HIS 48 Ca 0.07 0.03 0.06 0.00 -0.15 0.00 0.00 55.06 55.08 2kup s HIS 48 Cb -0.11 -2.29 -0.06 0.00 1.11 0.00 0.00 32.58 31.22 2kup s HIS 48 CO -0.01 -0.11 -0.04 -0.51 -0.85 0.00 0.00 174.74 173.22 2kup s LEU 49 N 1.41 2.48 0.00 0.89 2.01 -1.26 -1.67 118.68 122.53 2kup s LEU 49 Ca 0.07 -1.23 0.00 0.00 0.01 0.00 0.00 54.13 52.97 2kup s LEU 49 Cb -0.15 -0.64 0.00 0.00 0.01 0.00 0.00 46.19 45.42 2kup s LEU 49 CO 0.07 -0.38 0.00 1.57 1.01 0.00 0.00 176.35 178.61 2kup n HIS 50 N -0.64 0.00 0.37 0.29 -0.00 -1.26 -4.69 115.22 109.28 2kup n HIS 50 Ca -0.05 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.79 2kup n HIS 50 Cb 0.64 -0.31 0.10 0.00 -0.00 0.00 0.00 29.99 30.42 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 -6.62 1.57 2.47 -2.00 -3.47 114.38 106.33 2kup h ARG 51 Ca 0.00 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.24 2kup h ARG 51 Cb 0.00 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2kup h ARG 51 CO 0.00 0.00 -0.11 1.03 0.56 0.00 0.00 179.97 181.45 2kup s ARG 52 N -3.25 3.51 0.75 0.04 3.00 -1.26 -5.10 118.95 116.65 2kup s ARG 52 Ca 0.03 -0.18 -0.15 0.00 0.00 0.00 0.00 55.73 55.44 2kup s ARG 52 Cb 0.11 -2.59 0.05 0.00 0.00 0.00 0.00 34.95 32.52 2kup s ARG 52 CO 0.75 0.07 1.23 -1.83 0.00 0.00 0.00 175.30 175.52 2kup s GLU 53 N -4.35 1.95 0.20 3.54 -1.05 -1.26 -4.64 118.70 113.09 2kup s GLU 53 Ca 0.42 1.85 -0.31 0.00 -0.15 0.00 0.00 54.97 56.78 2kup s GLU 53 Cb -0.10 -1.80 -0.10 0.00 -0.44 0.00 0.00 34.13 31.69 2kup s GLU 53 CO 0.38 -2.01 1.52 0.00 0.95 0.00 0.00 175.26 176.10 2kup s ALA 54 N -1.90 3.72 -0.18 -0.84 0.00 -1.26 -4.67 121.76 116.62 2kup s ALA 54 Ca 0.76 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 54.04 2kup s ALA 54 Cb -0.31 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 2kup s ALA 54 CO 0.47 -0.78 -0.01 0.08 0.00 0.00 0.00 175.76 175.52 2kup s VAL 55 N 0.66 3.97 0.00 0.00 1.01 -0.44 -4.95 120.40 120.66 2kup s VAL 55 Ca 0.66 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.37 2kup s VAL 55 Cb -0.43 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 2kup s VAL 55 CO 0.37 0.45 -0.16 -0.13 0.00 0.00 0.00 175.10 175.62 2kup s ARG 56 N 0.75 1.26 -0.10 2.72 0.52 -1.26 -0.51 118.95 122.33 2kup s ARG 56 Ca -0.00 -0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 54.53 2kup s ARG 56 Cb -0.14 -1.24 0.05 0.00 0.52 0.00 0.00 34.95 34.13 2kup s ARG 56 CO 0.02 0.33 0.10 -1.58 0.02 0.00 0.00 175.30 174.19 2kup s TRP 57 N -0.50 0.03 0.44 -0.53 0.51 -0.74 -4.42 118.94 113.74 2kup s TRP 57 Ca 0.06 0.14 -0.24 0.00 -2.12 0.00 0.00 56.10 53.94 2kup s TRP 57 Cb -0.07 -0.50 -0.08 0.00 -0.81 0.00 0.00 33.47 32.02 2kup s TRP 57 CO -0.00 -0.33 1.22 -1.25 -0.51 0.00 0.00 176.95 176.08 2kup s PRO 58 N 2.19 3.80 0.52 4.98 0.04 -1.26 -1.32 135.00 143.95 2kup s PRO 58 Ca 0.04 1.93 0.19 0.00 0.04 0.00 0.00 61.00 63.21 2kup s PRO 58 Cb -0.13 -2.53 1.32 0.00 0.04 0.00 0.00 34.50 33.19 2kup s PRO 58 CO -0.06 -0.56 2.10 1.88 0.04 0.00 0.00 177.00 180.40 2kup h TYR 59 N 2.26 0.00 -0.90 0.56 0.05 -1.94 -1.71 116.97 115.30 2kup h TYR 59 Ca -0.49 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.35 2kup h TYR 59 Cb 1.25 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.93 2kup h TYR 59 CO 0.53 0.00 0.56 1.25 -1.05 0.00 0.00 178.16 179.45 2kup h LEU 60 N 0.00 0.88 -0.75 3.88 6.46 -1.91 -2.70 115.31 121.17 2kup h LEU 60 Ca 0.09 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 2kup h LEU 60 Cb 0.36 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 2kup h LEU 60 CO -0.00 0.56 0.00 0.00 -0.62 0.00 0.00 178.44 178.38 2kup s LEU 62 N -1.54 4.07 0.15 0.00 1.43 -1.02 -2.99 118.68 118.78 2kup s LEU 62 Ca 0.30 0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 54.23 2kup s LEU 62 Cb 0.15 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 2kup s LEU 62 CO 0.24 -0.59 1.35 -0.09 0.23 0.00 0.00 176.35 177.48 2kup h ARG 63 N 7.93 0.35 -2.30 1.70 9.65 -1.73 -3.48 114.38 126.50 2kup h ARG 63 Ca -0.23 -0.36 0.08 0.00 -1.10 0.00 0.00 59.98 58.36 2kup h ARG 63 Cb 1.09 0.10 -0.16 0.00 -1.39 0.00 0.00 29.97 29.61 2kup h ARG 63 CO 0.89 1.04 0.44 -0.98 2.80 0.00 0.00 179.97 184.16 2kup s ARG 64 N -3.32 0.88 -0.22 0.20 1.70 -1.26 -5.01 118.95 111.91 2kup s ARG 64 Ca -0.05 -0.25 -0.03 0.00 -0.47 0.00 0.00 55.73 54.93 2kup s ARG 64 Cb 0.09 0.41 0.10 0.00 -0.57 0.00 0.00 34.95 34.98 2kup s ARG 64 CO 0.85 -0.37 0.24 1.52 -1.08 0.00 0.00 175.30 176.46 2kup s TYR 65 N -2.90 -0.32 0.30 5.89 1.13 -1.26 -2.46 117.35 117.73 2kup s TYR 65 Ca 0.03 0.14 0.10 0.00 -1.41 0.00 0.00 57.07 55.93 2kup s TYR 65 Cb -0.01 -0.38 -0.05 0.00 -1.10 0.00 0.00 41.96 40.42 2kup s TYR 65 CO -0.07 -0.68 -0.09 0.20 -2.51 0.00 0.00 175.55 172.40 2kup s GLY 66 N 2.34 1.91 0.02 5.49 0.00 -0.01 -5.01 107.32 112.05 2kup s GLY 66 Ca 0.08 -1.87 -0.12 0.00 0.00 0.00 0.00 44.72 42.82 2kup s GLY 66 CO -0.17 -1.90 0.25 -2.52 0.00 0.00 0.00 173.10 168.76 2kup s TYR 67 N -2.48 -0.05 0.33 1.90 1.13 -1.26 -1.82 117.35 115.10 2kup s TYR 67 Ca 0.32 -0.05 0.01 0.00 -1.41 0.00 0.00 57.07 55.94 2kup s TYR 67 Cb -0.03 0.03 -0.00 0.00 -1.10 0.00 0.00 41.96 40.86 2kup s TYR 67 CO 0.17 -0.42 0.40 -3.47 -2.51 0.00 0.00 175.55 169.73 2kup n ASP 68 N 0.93 -1.10 0.09 -0.18 2.03 0.20 -5.00 116.55 113.51 2kup n ASP 68 Ca -0.20 -2.88 0.07 0.00 0.52 0.00 0.00 54.79 52.29 2kup n ASP 68 Cb 0.58 2.16 0.34 0.00 -0.72 0.00 0.00 41.12 43.48 2kup n ASP 68 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kup n SER 69 N -1.69 0.33 -0.00 1.67 7.64 -1.26 -3.43 113.62 116.89 2kup n SER 69 Ca 0.03 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.55 2kup n SER 69 Cb 0.56 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2kup n SER 69 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2kup n ASN 70 N -1.93 0.00 -3.81 6.43 6.94 -1.26 -4.86 115.26 116.78 2kup n ASN 70 Ca -0.00 -1.00 -0.14 0.00 -0.02 0.00 0.00 54.58 53.42 2kup n ASN 70 Cb 0.05 -0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.31 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 1.44 -0.03 -4.53 1.98 -1.22 -1.51 118.68 114.80 2kup s LEU 71 Ca 0.00 0.02 0.05 0.00 -2.89 0.00 0.00 54.13 51.31 2kup s LEU 71 Cb 0.00 -0.05 -0.01 0.00 0.66 0.00 0.00 46.19 46.80 2kup s LEU 71 CO 0.00 -0.08 -0.16 0.12 -1.89 0.00 0.00 176.35 174.34 2kup s PHE 72 N 0.65 1.58 0.10 5.38 5.36 -0.28 -0.63 117.98 130.14 2kup s PHE 72 Ca -0.05 -0.39 -0.17 0.00 -0.96 0.00 0.00 56.93 55.36 2kup s PHE 72 Cb -0.08 -1.05 0.04 0.00 -0.34 0.00 0.00 43.02 41.59 2kup s PHE 72 CO -0.02 -0.10 0.40 0.45 -1.46 0.00 0.00 175.22 174.49 2kup s SER 73 N -0.14 -0.25 0.07 6.13 0.15 -0.76 -0.41 113.70 118.50 2kup s SER 73 Ca 0.01 -0.21 -0.24 0.00 0.70 0.00 0.00 55.95 56.21 2kup s SER 73 Cb -0.09 0.46 0.06 0.00 -1.71 0.00 0.00 66.02 64.73 2kup s SER 73 CO 0.01 -0.79 0.57 0.72 1.20 0.00 0.00 173.24 174.95 2kup s PHE 74 N -3.34 -0.49 -0.06 3.44 -0.12 -1.20 -0.83 117.98 115.38 2kup s PHE 74 Ca 0.00 0.49 -0.11 0.00 -0.05 0.00 0.00 56.93 57.26 2kup s PHE 74 Cb 0.01 0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 42.77 2kup s PHE 74 CO -0.09 -0.71 0.28 -1.21 -0.05 0.00 0.00 175.22 173.44 2kup s GLU 75 N -2.77 3.70 0.14 1.99 8.01 -1.03 -2.90 118.70 125.84 2kup s GLU 75 Ca -0.04 0.15 0.10 0.00 0.01 0.00 0.00 54.97 55.20 2kup s GLU 75 Cb -0.00 -3.21 -0.04 0.00 -4.31 0.00 0.00 34.13 26.57 2kup s GLU 75 CO -0.04 0.72 -0.23 -1.54 0.01 0.00 0.00 175.26 174.18 2kup s SER 76 N -1.02 3.00 0.44 -0.19 1.04 -0.93 -2.10 113.70 113.93 2kup s SER 76 Ca 0.20 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2kup s SER 76 Cb -0.14 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.78 2kup s SER 76 CO 0.09 0.10 0.66 -0.83 0.98 0.00 0.00 173.24 174.24 2kup s GLY 77 N -2.18 1.56 0.63 7.32 0.00 -1.16 -3.31 107.32 110.18 2kup s GLY 77 Ca 0.13 -1.06 0.41 0.00 0.00 0.00 0.00 44.72 44.19 2kup s GLY 77 CO 0.06 -0.90 2.26 0.07 0.00 0.00 0.00 173.10 174.60 2kup h ARG 78 N 0.42 0.00 0.00 2.90 -0.00 -1.95 -2.86 114.38 112.90 2kup h ARG 78 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.52 2kup h ARG 78 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.22 2kup h ARG 78 CO 0.57 0.01 -0.19 0.07 -0.00 0.00 0.00 179.97 180.43 2kup h ARG 79 N 0.00 0.00 -7.74 0.08 0.11 -1.95 -3.42 114.38 101.46 2kup h ARG 79 Ca -0.00 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.63 2kup h ARG 79 Cb 0.14 0.00 0.16 0.00 1.11 0.00 0.00 29.97 31.38 2kup h ARG 79 CO 0.00 0.00 0.38 0.00 0.10 0.00 0.00 179.97 180.45 2kup h GLN 81 N -1.55 0.74 0.00 0.00 -0.00 -1.90 -2.85 115.11 109.55 2kup h GLN 81 Ca -0.43 -0.04 -0.21 0.00 -0.00 0.00 0.00 58.65 57.97 2kup h GLN 81 Cb 1.22 -0.17 -0.03 0.00 0.00 0.00 0.00 27.48 28.50 2kup h GLN 81 CO 0.34 0.49 -1.12 1.79 0.00 0.00 0.00 178.83 180.33 2kup h THR 82 N 0.77 1.35 0.00 2.39 1.35 -1.92 -3.51 112.91 113.33 2kup h THR 82 Ca 0.22 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 2kup h THR 82 Cb -0.05 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 2kup h THR 82 CO -0.07 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 2kup n GLY 83 N 1.38 -0.97 3.76 5.82 0.00 -1.08 -4.91 105.19 109.19 2kup n GLY 83 Ca -0.04 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 2kup n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kup s GLN 84 N 0.00 4.21 0.00 1.61 -0.21 -1.24 -4.11 119.66 119.92 2kup s GLN 84 Ca 0.00 2.42 0.00 0.00 0.02 0.00 0.00 55.36 57.80 2kup s GLN 84 Cb 0.00 -3.04 0.00 0.00 1.00 0.00 0.00 33.01 30.97 2kup s GLN 84 CO 0.00 -0.45 0.00 0.41 -2.12 0.00 0.00 175.29 173.13 2kup n GLY 85 N 1.35 2.38 3.35 3.09 0.00 -1.21 -5.00 105.19 109.15 2kup n GLY 85 Ca 0.04 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 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 3.00 -0.11 -0.61 1.01 -1.26 -2.20 121.20 119.03 2kup s ILE 86 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.99 2kup s ILE 86 Cb 0.00 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.22 2kup s ILE 86 CO 0.00 0.52 -0.12 -0.36 0.00 0.00 0.00 174.94 174.98 2kup s PHE 87 N 0.49 1.76 -0.03 3.97 0.08 -1.14 -5.01 117.98 118.10 2kup s PHE 87 Ca -0.09 -0.87 0.05 0.00 0.12 0.00 0.00 56.93 56.14 2kup s PHE 87 Cb -0.16 -1.34 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 2kup s PHE 87 CO 0.04 -0.50 -0.16 0.00 -0.10 0.00 0.00 175.22 174.49 2kup s ALA 88 N 1.31 2.59 -0.08 5.36 0.00 -1.26 -3.25 121.76 126.43 2kup s ALA 88 Ca -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 2kup s ALA 88 Cb -0.14 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.13 2kup s ALA 88 CO -0.05 0.56 -0.03 -0.06 0.00 0.00 0.00 175.76 176.17 2kup s PHE 89 N -0.75 0.93 0.15 0.00 0.40 0.45 -0.88 117.98 118.28 2kup s PHE 89 Ca 0.12 -0.34 -0.30 0.00 -0.60 0.00 0.00 56.93 55.80 2kup s PHE 89 Cb -0.10 -0.91 -0.08 0.00 0.51 0.00 0.00 43.02 42.44 2kup s PHE 89 CO 0.01 -0.35 1.26 0.15 0.70 0.00 0.00 175.22 176.99 2kup s LYS 90 N 1.67 4.42 -0.28 0.44 1.02 0.19 -1.12 119.74 126.08 2kup s LYS 90 Ca 0.02 1.94 -0.25 0.00 0.02 0.00 0.00 55.97 57.69 2kup s LYS 90 Cb -0.13 -3.25 0.13 0.00 -0.52 0.00 0.00 37.83 34.06 2kup s LYS 90 CO -0.05 -0.23 1.08 0.00 -0.92 0.00 0.00 175.35 175.23 2kup n SER 92 N 2.03 0.54 -0.84 0.00 7.64 -1.26 -3.68 113.62 118.05 2kup n SER 92 Ca -0.12 -1.56 0.04 0.00 1.01 0.00 0.00 58.87 58.24 2kup n SER 92 Cb 0.56 -0.04 0.07 0.00 -1.01 0.00 0.00 64.21 63.79 2kup n SER 92 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2kup n ARG 93 N -0.41 0.50 -0.33 1.43 0.00 -1.26 -4.91 116.66 111.68 2kup n ARG 93 Ca 0.13 -2.07 0.20 0.00 -0.00 0.00 0.00 57.85 56.12 2kup n ARG 93 Cb 0.14 -0.67 0.46 0.00 -0.00 0.00 0.00 32.46 32.39 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 0.58 2.05 -0.34 2.89 0.00 -1.83 -0.71 119.26 121.91 2kup h ALA 94 Ca -0.09 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2kup h ALA 94 Cb 1.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2kup h ALA 94 CO 0.04 -0.47 -0.24 1.49 0.00 0.00 0.00 179.25 180.07 2kup h GLU 95 N 0.49 0.67 -0.10 0.00 4.81 -1.91 -1.18 114.58 117.36 2kup h GLU 95 Ca 0.60 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 2kup h GLU 95 Cb 1.35 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2kup h GLU 95 CO -0.35 0.85 -0.46 0.93 -0.73 0.00 0.00 179.01 179.25 2kup h GLU 96 N 0.58 0.24 -0.14 1.92 4.39 -1.54 0.11 114.58 120.14 2kup h GLU 96 Ca 0.08 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2kup h GLU 96 Cb 0.72 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2kup h GLU 96 CO 0.06 0.65 0.03 0.82 -1.16 0.00 0.00 179.01 179.42 2kup h ILE 97 N 0.20 1.20 -0.75 3.13 2.04 -1.26 -1.72 117.51 120.35 2kup h ILE 97 Ca 0.01 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 2kup h ILE 97 Cb 0.89 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 2kup h ILE 97 CO 0.07 0.19 0.44 0.15 0.00 0.00 0.00 178.15 179.00 2kup h PHE 98 N 0.03 0.98 -0.16 1.37 3.57 -0.96 0.36 116.94 122.14 2kup h PHE 98 Ca 0.04 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 2kup h PHE 98 Cb 0.26 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2kup h PHE 98 CO 0.01 0.66 -0.38 -0.91 -2.23 0.00 0.00 178.31 175.45 2kup h ASN 99 N 1.03 0.35 0.34 0.41 2.35 -0.72 -3.28 115.58 116.06 2kup h ASN 99 Ca 0.27 -0.14 -0.33 0.00 -0.55 0.00 0.00 56.30 55.55 2kup h ASN 99 Cb -0.04 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2kup h ASN 99 CO -0.05 0.71 -1.62 0.25 -1.65 0.00 0.00 177.43 175.07 2kup h LEU 100 N 0.29 0.49 -0.03 1.61 5.85 -0.80 -3.36 115.31 119.36 2kup h LEU 100 Ca 0.03 -0.70 0.03 0.00 0.84 0.00 0.00 57.88 58.08 2kup h LEU 100 Cb 0.80 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 2kup h LEU 100 CO 0.06 1.59 -0.37 -0.07 -0.34 0.00 0.00 178.44 179.31 2kup h LEU 101 N 0.09 -1.14 -2.62 2.25 3.38 -1.01 -1.76 115.31 114.50 2kup h LEU 101 Ca -0.28 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2kup h LEU 101 Cb 2.06 0.46 -0.00 0.00 0.09 0.00 0.00 40.66 43.26 2kup h LEU 101 CO 0.17 -0.42 0.01 0.06 0.09 0.00 0.00 178.44 178.36 2kup h GLN 102 N -0.51 0.00 0.00 1.13 3.07 -1.74 0.12 115.11 117.18 2kup h GLN 102 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.71 2kup h GLN 102 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.16 2kup h GLN 102 CO -0.32 0.00 -0.44 0.22 0.09 0.00 0.00 178.83 178.39 2kup h ASP 103 N 0.00 0.00 0.07 0.06 1.82 -1.47 -3.09 116.42 113.80 2kup h ASP 103 Ca 0.00 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.28 2kup h ASP 103 Cb 0.03 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 39.98 2kup h ASP 103 CO -0.00 0.44 -2.31 0.18 -1.61 0.00 0.00 179.24 175.93 2kup n LEU 104 N -3.26 1.41 0.20 2.28 4.77 -0.54 -4.14 117.00 117.72 2kup n LEU 104 Ca 0.02 0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.07 2kup n LEU 104 Cb 0.68 -0.19 0.42 0.00 -2.33 0.00 0.00 43.42 41.99 2kup n LEU 104 CO 0.39 0.68 0.75 0.24 -1.33 0.00 0.00 177.39 178.12 2kup h MET 105 N 0.01 0.00 0.00 3.23 2.86 -0.93 -1.66 114.93 118.44 2kup h MET 105 Ca -0.52 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 2kup h MET 105 Cb 2.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.74 2kup h MET 105 CO -0.00 0.33 0.00 0.00 1.06 0.00 0.00 176.91 178.30 2kup n GLN 106 N -3.78 0.04 0.07 1.72 -0.00 -1.17 -4.14 117.38 110.12 2kup n GLN 106 Ca -0.01 0.07 -0.05 0.00 -0.00 0.00 0.00 57.00 57.01 2kup n GLN 106 Cb 0.42 -1.55 -0.09 0.00 -0.00 0.00 0.00 30.24 29.02 2kup n GLN 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kup n ASN 108 N -3.29 -5.85 -4.24 0.00 4.13 -1.25 -4.88 115.26 99.87 2kup n ASN 108 Ca -0.01 0.11 -0.42 0.00 1.68 0.00 0.00 54.58 55.93 2kup n ASN 108 Cb 0.90 -4.94 -0.00 0.00 -1.54 0.00 0.00 39.78 34.20 2kup n ASN 108 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2kup n SER 109 N -1.87 4.47 0.00 6.41 7.64 -1.26 -4.62 113.62 124.39 2kup n SER 109 Ca -0.24 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 56.76 2kup n SER 109 Cb 0.69 -1.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 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 5.90 0.00 -0.82 0.44 2.08 -1.26 -4.23 119.36 121.47 2kup n ILE 110 Ca 0.50 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.70 2kup n ILE 110 Cb 0.43 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 39.19 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 0.00 4.40 -0.56 4.38 3.02 -1.26 -4.55 115.26 120.69 2kup n ASN 111 Ca 0.00 -2.30 0.12 0.00 -0.03 0.00 0.00 54.58 52.37 2kup n ASN 111 Cb 0.00 -1.15 0.43 0.00 -0.61 0.00 0.00 39.78 38.44 2kup n ASN 111 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2kup n VAL 112 N 2.69 0.12 -1.22 2.41 0.24 -1.26 -4.74 118.33 116.57 2kup n VAL 112 Ca 0.36 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2kup n VAL 112 Cb 0.70 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 2kup n VAL 112 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2kup n MET 113 N 0.34 1.92 -1.98 7.34 2.81 -1.26 -4.94 117.12 121.34 2kup n MET 113 Ca 0.17 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.81 2kup n MET 113 Cb 0.36 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.80 2kup n MET 113 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2kup s GLU 114 N 1.17 2.25 0.07 0.03 1.03 -1.26 -4.84 118.70 117.14 2kup s GLU 114 Ca 0.00 -1.01 -0.12 0.00 0.03 0.00 0.00 54.97 53.87 2kup s GLU 114 Cb 0.00 -5.19 0.01 0.00 -0.80 0.00 0.00 34.13 28.15 2kup s GLU 114 CO 0.00 -4.25 0.27 -1.21 -1.33 0.00 0.00 175.26 168.74 2kup s GLU 115 N 6.85 0.83 1.08 -4.83 2.02 -1.26 -5.18 118.70 118.21 2kup s GLU 115 Ca 0.71 -0.68 -0.16 0.00 0.02 0.00 0.00 54.97 54.86 2kup s GLU 115 Cb -0.02 0.35 0.23 0.00 0.10 0.00 0.00 34.13 34.80 2kup s GLU 115 CO 0.14 -0.27 1.13 -1.25 0.02 0.00 0.00 175.26 175.02 2kup s PRO 116 N -3.08 -0.27 -0.04 0.39 0.04 -1.26 -5.04 135.00 125.73 2kup s PRO 116 Ca -0.01 0.13 -0.20 0.00 0.04 0.00 0.00 61.00 60.95 2kup s PRO 116 Cb 0.01 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 2kup s PRO 116 CO -0.07 -3.12 0.57 0.08 0.04 0.00 0.00 177.00 174.50 2kup s VAL 117 N -3.10 5.01 0.07 -0.36 1.01 -1.26 -5.03 120.40 116.74 2kup s VAL 117 Ca 0.68 1.18 0.09 0.00 0.00 0.00 0.00 61.98 63.93 2kup s VAL 117 Cb -0.13 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2kup s VAL 117 CO 0.56 0.37 -0.23 -0.63 0.00 0.00 0.00 175.10 175.17 2kup s ILE 118 N 0.14 1.91 -1.18 2.22 1.09 -1.26 -5.08 121.20 119.05 2kup s ILE 118 Ca 0.30 -1.43 -0.21 0.00 -1.10 0.00 0.00 60.65 58.22 2kup s ILE 118 Cb -0.17 -1.67 0.03 0.00 -1.06 0.00 0.00 42.46 39.58 2kup s ILE 118 CO 0.15 0.17 1.73 -0.63 -0.10 0.00 0.00 174.94 176.26 2kup s ILE 119 N -0.93 3.91 -0.03 2.92 -1.09 -1.26 -4.90 121.20 119.82 2kup s ILE 119 Ca 0.10 -1.33 -0.08 0.00 -2.23 0.00 0.00 60.65 57.11 2kup s ILE 119 Cb -0.10 -4.95 0.01 0.00 -1.58 0.00 0.00 42.46 35.85 2kup s ILE 119 CO 0.03 -1.72 0.19 0.42 -1.23 0.00 0.00 174.94 172.63 2kup s THR 120 N 6.20 0.04 0.22 2.92 -4.23 -1.26 -5.15 115.64 114.37 2kup s THR 120 Ca 0.56 -0.37 -0.30 0.00 -1.18 0.00 0.00 61.69 60.40 2kup s THR 120 Cb 0.01 -0.40 -0.09 0.00 1.34 0.00 0.00 72.50 73.36 2kup s THR 120 CO 0.04 -0.20 1.36 -0.13 -0.54 0.00 0.00 174.62 175.15 2kup s ARG 121 N -0.74 4.34 0.37 3.99 0.52 -1.26 -5.01 118.95 121.16 2kup s ARG 121 Ca -0.08 2.15 -0.16 0.00 -0.52 0.00 0.00 55.73 57.12 2kup s ARG 121 Cb -0.05 -3.16 0.06 0.00 0.52 0.00 0.00 34.95 32.33 2kup s ARG 121 CO 0.01 -0.31 0.83 0.54 0.02 0.00 0.00 175.30 176.39 2kup s ASN 122 N 0.33 0.04 0.12 0.23 4.22 -1.26 -5.08 114.94 113.54 2kup s ASN 122 Ca 0.58 -1.15 -0.08 0.00 -2.14 0.00 0.00 52.86 50.06 2kup s ASN 122 Cb -0.39 0.82 -0.01 0.00 1.28 0.00 0.00 41.25 42.96 2kup s ASN 122 CO 0.40 -1.64 0.22 -0.44 -2.04 0.00 0.00 177.10 173.61 2kup s SER 123 N -3.14 0.10 0.06 3.54 0.01 -1.26 -5.14 113.70 107.87 2kup s SER 123 Ca 0.17 -0.78 -0.32 0.00 1.31 0.00 0.00 55.95 56.32 2kup s SER 123 Cb -0.05 0.38 -0.11 0.00 0.21 0.00 0.00 66.02 66.45 2kup s SER 123 CO 0.11 -0.80 1.82 1.41 0.41 0.00 0.00 173.24 176.19 2kup n HIS 124 N -0.13 2.46 -1.88 2.43 8.25 -1.26 -4.95 115.22 120.14 2kup n HIS 124 Ca -0.11 -0.06 -0.30 0.00 -0.26 0.00 0.00 57.72 57.00 2kup n HIS 124 Cb 0.63 -2.69 0.06 0.00 1.12 0.00 0.00 29.99 29.11 2kup n HIS 124 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2kup s PRO 125 N 2.98 2.54 0.68 -0.41 0.04 -1.26 -5.06 135.00 134.50 2kup s PRO 125 Ca 0.85 0.35 -0.07 0.00 0.04 0.00 0.00 61.00 62.18 2kup s PRO 125 Cb -0.57 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.12 2kup s PRO 125 CO 0.42 -1.24 0.92 0.00 0.04 0.00 0.00 177.00 177.14 2kup n ALA 126 N -3.13 -0.57 -2.97 8.56 0.00 -1.26 -5.15 120.51 115.99 2kup n ALA 126 Ca 0.07 -1.45 -0.11 0.00 0.00 0.00 0.00 53.44 51.96 2kup n ALA 126 Cb 0.58 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 20.05 2kup n ALA 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2kup s GLU 127 N -4.93 0.89 0.18 0.00 -1.05 -1.26 -5.16 118.70 107.37 2kup s GLU 127 Ca 0.56 -0.58 -0.30 0.00 -0.15 0.00 0.00 54.97 54.50 2kup s GLU 127 Cb -0.02 0.39 -0.08 0.00 -0.44 0.00 0.00 34.13 33.97 2kup s GLU 127 CO 0.38 -0.30 1.22 -1.17 0.95 0.00 0.00 175.26 176.34 2kup s LEU 128 N -2.31 4.44 0.53 1.83 2.96 -1.26 -5.02 118.68 119.84 2kup s LEU 128 Ca -0.02 2.26 -0.20 0.00 -0.22 0.00 0.00 54.13 55.96 2kup s LEU 128 Cb 0.01 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.02 2kup s LEU 128 CO -0.06 -0.41 1.11 -1.81 -1.32 0.00 0.00 176.35 173.85 2kup s ASP 129 N 0.22 5.87 0.38 3.68 1.01 -1.26 -5.07 116.67 121.51 2kup s ASP 129 Ca 0.54 2.12 -0.10 0.00 0.71 0.00 0.00 52.55 55.82 2kup s ASP 129 Cb -0.33 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 40.96 2kup s ASP 129 CO 0.37 -1.12 0.74 -1.48 0.21 0.00 0.00 175.17 173.89 2kup s LEU 130 N -3.72 3.87 0.49 1.23 0.05 -1.26 -5.08 118.68 114.26 2kup s LEU 130 Ca 0.72 1.09 -0.18 0.00 0.05 0.00 0.00 54.13 55.81 2kup s LEU 130 Cb -0.22 -3.96 -0.09 0.00 -2.05 0.00 0.00 46.19 39.87 2kup s LEU 130 CO 0.25 -0.36 0.99 -2.16 -0.55 0.00 0.00 176.35 174.52 2kup s PRO 131 N -3.74 3.96 0.61 1.48 0.04 -1.26 -5.06 135.00 131.02 2kup s PRO 131 Ca 0.51 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 62.47 2kup s PRO 131 Cb -0.10 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2kup s PRO 131 CO 0.30 -0.26 1.05 0.50 0.04 0.00 0.00 177.00 178.63 2kup s ARG 132 N -3.70 3.30 0.52 4.56 3.52 -1.26 -5.04 118.95 120.86 2kup s ARG 132 Ca 0.61 1.14 -0.22 0.00 -0.13 0.00 0.00 55.73 57.13 2kup s ARG 132 Cb -0.11 -2.03 -0.07 0.00 -1.56 0.00 0.00 34.95 31.18 2kup s ARG 132 CO 0.25 -0.82 1.16 0.00 -0.81 0.00 0.00 175.30 175.08 2kup n ALA 133 N -2.20 0.83 -1.53 6.12 0.00 -1.26 -5.00 120.51 117.48 2kup n ALA 133 Ca 0.08 0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 2kup n ALA 133 Cb 0.53 -2.21 0.08 0.00 0.00 0.00 0.00 19.45 17.85 2kup n ALA 133 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kup s PRO 134 N -2.59 2.28 0.42 0.00 0.04 -1.26 -5.06 135.00 128.82 2kup s PRO 134 Ca 0.70 0.75 -0.18 0.00 0.04 0.00 0.00 61.00 62.30 2kup s PRO 134 Cb -0.45 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.06 2kup s PRO 134 CO 0.51 -1.51 0.90 1.14 0.04 0.00 0.00 177.00 178.08 2kup s GLN 135 N -5.11 4.11 0.64 4.56 -2.07 -1.26 -5.08 119.66 115.46 2kup s GLN 135 Ca 0.60 0.97 -0.13 0.00 -1.82 0.00 0.00 55.36 54.97 2kup s GLN 135 Cb -0.15 -2.23 -0.02 0.00 -1.09 0.00 0.00 33.01 29.52 2kup s GLN 135 CO 0.55 -0.03 1.06 -1.25 -1.32 0.00 0.00 175.29 174.29 2kup s PRO 136 N -3.33 3.16 0.71 9.60 0.04 -1.26 -5.06 135.00 138.86 2kup s PRO 136 Ca 0.59 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 2kup s PRO 136 Cb -0.09 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.45 2kup s PRO 136 CO 0.18 -0.93 1.07 -1.25 0.04 0.00 0.00 177.00 176.11 2kup s PRO 137 N -4.54 2.80 0.59 0.56 0.04 -1.26 -5.08 135.00 128.12 2kup s PRO 137 Ca 0.61 0.76 -0.09 0.00 0.04 0.00 0.00 61.00 62.31 2kup s PRO 137 Cb -0.15 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2kup s PRO 137 CO 0.45 -1.14 0.97 0.54 0.04 0.00 0.00 177.00 177.86 2kup s ASN 138 N -3.97 6.16 0.33 6.66 2.20 -1.26 -5.08 114.94 119.97 2kup s ASN 138 Ca 0.58 1.25 -0.24 0.00 -0.94 0.00 0.00 52.86 53.51 2kup s ASN 138 Cb -0.13 -2.34 -0.10 0.00 -2.00 0.00 0.00 41.25 36.67 2kup s ASN 138 CO 0.54 -0.84 0.92 0.00 -2.94 0.00 0.00 177.10 174.78 2kup s ALA 139 N -3.08 3.20 0.32 3.54 0.00 -1.26 -5.07 121.76 119.41 2kup s ALA 139 Ca 0.53 0.46 -0.17 0.00 0.00 0.00 0.00 51.96 52.78 2kup s ALA 139 Cb -0.11 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 2kup s ALA 139 CO 0.51 0.18 0.78 -1.17 0.00 0.00 0.00 175.76 176.06 2kup s LEU 140 N -2.28 4.11 0.00 0.00 2.96 -1.26 -5.11 118.68 117.10 2kup s LEU 140 Ca 0.52 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 2kup s LEU 140 Cb -0.16 -4.06 0.00 0.00 0.50 0.00 0.00 46.19 42.46 2kup s LEU 140 CO 0.21 -0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.67 2kup n GLY 141 N -0.17 -0.05 3.42 7.98 0.00 -1.26 -5.15 105.19 109.95 2kup n GLY 141 Ca 0.03 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 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 0.31 -0.25 0.40 1.61 5.04 -1.26 -5.20 117.35 118.00 2kup s TYR 142 Ca 0.00 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.61 2kup s TYR 142 Cb 0.00 0.38 -0.04 0.00 0.35 0.00 0.00 41.96 42.65 2kup s TYR 142 CO 0.00 -0.82 0.08 0.95 -1.34 0.00 0.00 175.55 174.43 2kup s THR 143 N -3.82 0.92 -0.16 4.34 -4.23 -1.26 -5.18 115.64 106.25 2kup s THR 143 Ca 0.05 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 2kup s THR 143 Cb 0.00 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.39 2kup s THR 143 CO -0.09 0.00 0.42 0.54 -0.54 0.00 0.00 174.62 174.95 2kup s VAL 144 N -3.18 -0.00 0.66 2.29 0.11 -1.26 -5.18 120.40 113.85 2kup s VAL 144 Ca 0.26 0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.19 2kup s VAL 144 Cb 0.05 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.30 2kup s VAL 144 CO 0.13 0.00 1.06 -0.44 -3.33 0.00 0.00 175.10 172.52 2kup s SER 145 N 0.30 5.55 0.00 3.54 0.01 -1.26 -5.40 113.70 116.44 2kup s SER 145 Ca -0.01 1.66 0.14 0.00 1.31 0.00 0.00 55.95 59.05 2kup s SER 145 Cb -0.03 -2.50 0.85 0.00 0.21 0.00 0.00 66.02 64.54 2kup s SER 145 CO -0.00 -1.33 1.27 -1.54 0.41 0.00 0.00 173.24 172.05