#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5u s LYS 12 N 0.00 1.23 -0.15 0.54 1.02 -0.28 -3.21 119.74 118.89 1k5u s LYS 12 Ca 0.00 -0.91 -0.05 0.00 0.02 0.00 0.00 55.97 55.04 1k5u s LYS 12 Cb 0.00 0.47 -0.03 0.00 -0.52 0.00 0.00 37.83 37.74 1k5u s LYS 12 CO 0.00 -0.49 0.01 -0.51 -0.92 0.00 0.00 175.35 173.43 1k5u s LEU 13 N -2.88 3.54 -0.51 3.17 1.43 0.19 -0.72 118.68 122.91 1k5u s LEU 13 Ca 0.09 0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 53.07 1k5u s LEU 13 Cb 0.01 -1.86 0.11 0.00 0.03 0.00 0.00 46.19 44.49 1k5u s LEU 13 CO -0.05 0.22 0.44 -0.76 0.23 0.00 0.00 176.35 176.43 1k5u s LEU 14 N 0.05 5.93 -0.21 1.79 1.43 -1.26 0.51 118.68 126.91 1k5u s LEU 14 Ca 0.03 -1.71 -0.22 0.00 -1.03 0.00 0.00 54.13 51.20 1k5u s LEU 14 Cb -0.13 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1k5u s LEU 14 CO 0.02 -0.77 0.67 -0.47 0.23 0.00 0.00 176.35 176.03 1k5u s TYR 15 N 1.55 3.35 -0.40 0.29 5.04 -0.82 -0.28 117.35 126.09 1k5u s TYR 15 Ca 0.04 0.96 -0.22 0.00 -2.44 0.00 0.00 57.07 55.41 1k5u s TYR 15 Cb -0.28 -2.86 0.01 0.00 0.35 0.00 0.00 41.96 39.19 1k5u s TYR 15 CO 0.03 -0.24 0.70 0.00 -1.34 0.00 0.00 175.55 174.70 1k5u h SER 17 N 8.68 0.43 -0.03 0.00 4.64 -1.71 -0.14 113.55 125.42 1k5u h SER 17 Ca -0.25 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1k5u h SER 17 Cb 1.10 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1k5u h SER 17 CO 0.89 0.30 -0.03 -1.13 -0.87 0.00 0.00 176.83 176.00 1k5u h ASN 18 N 0.50 -0.10 -0.01 4.97 -1.24 -1.76 -3.24 115.58 114.69 1k5u h ASN 18 Ca 0.15 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1k5u h ASN 18 Cb 0.00 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.09 1k5u h ASN 18 CO -0.03 -0.02 -0.30 0.61 -1.29 0.00 0.00 177.43 176.40 1k5u n GLY 19 N -1.02 -0.08 1.36 1.57 0.00 -1.24 -4.75 105.19 101.02 1k5u n GLY 19 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 1k5u n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k5u n GLY 20 N 1.07 0.59 3.14 -0.02 0.00 -0.10 -4.92 105.19 104.95 1k5u n GLY 20 Ca 0.06 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 1k5u n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k5u s HIS 21 N -3.02 1.19 -0.05 1.61 3.76 -0.96 -4.61 115.29 113.20 1k5u s HIS 21 Ca 0.01 -0.38 -0.22 0.00 -0.15 0.00 0.00 55.06 54.32 1k5u s HIS 21 Cb -0.00 -0.69 -0.04 0.00 1.11 0.00 0.00 32.58 32.95 1k5u s HIS 21 CO 0.04 0.04 0.66 -0.06 -0.85 0.00 0.00 174.74 174.57 1k5u s PHE 22 N -0.97 3.60 0.21 1.40 0.08 0.59 0.46 117.98 123.35 1k5u s PHE 22 Ca 0.00 1.21 -0.32 0.00 0.12 0.00 0.00 56.93 57.94 1k5u s PHE 22 Cb -0.08 -2.74 -0.13 0.00 -0.57 0.00 0.00 43.02 39.49 1k5u s PHE 22 CO 0.01 0.15 1.58 -0.11 -0.10 0.00 0.00 175.22 176.76 1k5u n LEU 23 N 3.52 3.49 -3.95 -0.37 7.94 0.62 -2.05 117.00 126.21 1k5u n LEU 23 Ca -0.03 1.10 -0.20 0.00 -1.11 0.00 0.00 56.01 55.77 1k5u n LEU 23 Cb 0.51 -1.49 -0.16 0.00 0.53 0.00 0.00 43.42 42.82 1k5u n LEU 23 CO 0.46 -0.16 -0.42 -0.60 -1.11 0.00 0.00 177.39 175.56 1k5u s ARG 24 N 0.46 0.94 -0.34 1.96 3.52 0.60 -4.50 118.95 121.59 1k5u s ARG 24 Ca 0.73 -0.21 -0.04 0.00 -0.13 0.00 0.00 55.73 56.08 1k5u s ARG 24 Cb -0.61 -0.89 0.06 0.00 -1.56 0.00 0.00 34.95 31.96 1k5u s ARG 24 CO 0.41 0.01 0.09 0.42 -0.81 0.00 0.00 175.30 175.42 1k5u s ILE 25 N 0.55 3.41 0.47 4.11 1.01 -1.15 -1.11 121.20 128.50 1k5u s ILE 25 Ca -0.08 -1.42 -0.21 0.00 0.00 0.00 0.00 60.65 58.94 1k5u s ILE 25 Cb -0.12 -3.03 -0.08 0.00 0.01 0.00 0.00 42.46 39.24 1k5u s ILE 25 CO 0.01 -0.27 1.07 -0.76 0.00 0.00 0.00 174.94 174.99 1k5u s LEU 26 N 1.30 3.92 0.57 2.97 1.43 -0.20 -4.84 118.68 123.83 1k5u s LEU 26 Ca -0.01 2.03 0.32 0.00 -1.03 0.00 0.00 54.13 55.44 1k5u s LEU 26 Cb -0.20 -4.44 1.73 0.00 0.03 0.00 0.00 46.19 43.31 1k5u s LEU 26 CO -0.00 -0.79 1.96 1.55 0.23 0.00 0.00 176.35 179.30 1k5u h PRO 27 N 1.78 0.00 0.00 1.29 0.14 -1.99 0.50 132.00 133.73 1k5u h PRO 27 Ca -0.49 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.65 1k5u h PRO 27 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.37 1k5u h PRO 27 CO 0.60 0.00 0.00 -0.40 0.14 0.00 0.00 178.00 178.34 1k5u n ASP 28 N -2.76 0.48 0.00 1.44 5.68 -1.26 -4.89 116.55 115.24 1k5u n ASP 28 Ca -0.02 0.56 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 1k5u n ASP 28 Cb 0.21 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 1k5u n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k5u n GLY 29 N 1.07 0.40 3.88 6.12 0.00 0.18 -4.98 105.19 111.86 1k5u n GLY 29 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1k5u n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k5u s THR 30 N -2.13 4.75 -0.01 2.61 -4.23 -1.25 0.59 115.64 115.97 1k5u s THR 30 Ca 0.00 0.73 0.04 0.00 -1.18 0.00 0.00 61.69 61.28 1k5u s THR 30 Cb 0.00 -3.87 -0.01 0.00 1.34 0.00 0.00 72.50 69.96 1k5u s THR 30 CO 0.00 -1.08 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.19 1k5u s VAL 31 N -3.08 0.94 0.00 2.29 1.01 -1.26 -1.03 120.40 119.28 1k5u s VAL 31 Ca 0.53 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1k5u s VAL 31 Cb -0.11 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1k5u s VAL 31 CO 0.52 0.27 0.00 -0.90 0.00 0.00 0.00 175.10 174.99 1k5u n ASP 32 N 2.83 0.00 -3.90 3.32 5.75 -0.27 -4.37 116.55 119.91 1k5u n ASP 32 Ca -0.14 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.53 1k5u n ASP 32 Cb 0.56 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.52 1k5u n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1k5u s GLY 33 N 0.00 0.06 0.09 6.12 0.00 0.07 -0.29 107.32 113.37 1k5u s GLY 33 Ca 0.00 -0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.64 1k5u s GLY 33 CO 0.00 -0.18 -0.13 -1.08 0.00 0.00 0.00 173.10 171.71 1k5u s THR 34 N -0.62 1.14 -0.40 0.90 -1.32 -0.87 -4.76 115.64 109.70 1k5u s THR 34 Ca -0.07 -1.51 0.23 0.00 -1.21 0.00 0.00 61.69 59.13 1k5u s THR 34 Cb -0.04 -1.28 -0.03 0.00 -1.51 0.00 0.00 72.50 69.63 1k5u s THR 34 CO -0.00 -0.36 1.07 0.54 -2.21 0.00 0.00 174.62 173.66 1k5u n ARG 35 N 0.87 0.46 -2.10 7.08 1.74 -1.26 -0.30 116.66 123.16 1k5u n ARG 35 Ca -0.18 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.55 1k5u n ARG 35 Cb 0.56 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1k5u n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1k5u s ASP 36 N -4.72 5.87 0.10 0.55 2.15 -1.26 -4.85 116.67 114.51 1k5u s ASP 36 Ca 0.02 0.97 0.17 0.00 0.43 0.00 0.00 52.55 54.13 1k5u s ASP 36 Cb 0.12 -2.53 0.72 0.00 -0.30 0.00 0.00 42.92 40.93 1k5u s ASP 36 CO 0.78 -1.79 1.52 -1.14 -0.17 0.00 0.00 175.17 174.38 1k5u n ARG 37 N 8.52 0.07 0.04 4.34 0.63 -1.26 -2.16 116.66 126.84 1k5u n ARG 37 Ca 0.21 0.35 0.12 0.00 -0.92 0.00 0.00 57.85 57.60 1k5u n ARG 37 Cb 0.48 -1.65 0.18 0.00 0.45 0.00 0.00 32.46 31.92 1k5u n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1k5u n SER 38 N -1.79 0.62 -4.66 6.15 3.41 -1.26 -4.93 113.62 111.16 1k5u n SER 38 Ca 0.03 -0.03 -0.47 0.00 -0.26 0.00 0.00 58.87 58.14 1k5u n SER 38 Cb 0.17 0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 1k5u n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1k5u n ASP 39 N -1.90 2.81 0.15 4.04 -0.08 -0.92 -4.85 116.55 115.80 1k5u n ASP 39 Ca 0.04 1.10 0.13 0.00 -1.51 0.00 0.00 54.79 54.55 1k5u n ASP 39 Cb 0.41 -1.39 0.47 0.00 2.34 0.00 0.00 41.12 42.94 1k5u n ASP 39 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1k5u h GLN 40 N 5.39 0.00 -0.26 -0.67 -0.00 -1.91 -3.13 115.11 114.52 1k5u h GLN 40 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 1k5u h GLN 40 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1k5u h GLN 40 CO 0.85 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 180.40 1k5u n HIS 41 N -2.46 0.34 0.05 0.06 8.25 -1.26 -4.02 115.22 116.19 1k5u n HIS 41 Ca 0.03 -0.17 0.11 0.00 -0.26 0.00 0.00 57.72 57.43 1k5u n HIS 41 Cb 0.33 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.31 1k5u n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1k5u n ILE 42 N 0.35 0.14 -2.20 1.59 -5.35 -1.18 -2.95 119.36 109.75 1k5u n ILE 42 Ca 0.13 -0.49 -0.43 0.00 -0.27 0.00 0.00 62.75 61.69 1k5u n ILE 42 Cb 0.28 -0.04 -0.02 0.00 -1.74 0.00 0.00 39.64 38.11 1k5u n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1k5u s GLN 43 N -3.47 3.85 0.38 6.28 1.11 -1.26 -4.56 119.66 122.00 1k5u s GLN 43 Ca -0.06 1.56 0.08 0.00 0.01 0.00 0.00 55.36 56.95 1k5u s GLN 43 Cb 0.13 -3.98 -0.02 0.00 -1.01 0.00 0.00 33.01 28.13 1k5u s GLN 43 CO 0.88 -1.22 0.38 -0.51 0.01 0.00 0.00 175.29 174.83 1k5u s LEU 44 N 4.90 3.55 -0.28 2.90 1.43 0.10 -1.89 118.68 129.38 1k5u s LEU 44 Ca 0.67 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1k5u s LEU 44 Cb -0.23 -2.25 0.09 0.00 0.03 0.00 0.00 46.19 43.84 1k5u s LEU 44 CO 0.27 -0.54 0.11 -1.58 0.23 0.00 0.00 176.35 174.84 1k5u s GLN 45 N -4.11 0.34 0.06 1.70 0.74 0.12 -1.13 119.66 117.37 1k5u s GLN 45 Ca 0.46 -0.62 -0.24 0.00 0.05 0.00 0.00 55.36 55.01 1k5u s GLN 45 Cb -0.05 -1.48 -0.06 0.00 1.10 0.00 0.00 33.01 32.52 1k5u s GLN 45 CO 0.28 -0.96 0.74 -0.51 -0.55 0.00 0.00 175.29 174.29 1k5u s LEU 46 N 1.97 4.47 -0.02 3.68 1.02 -1.25 -1.81 118.68 126.74 1k5u s LEU 46 Ca 0.08 1.44 0.02 0.00 0.02 0.00 0.00 54.13 55.68 1k5u s LEU 46 Cb -0.16 -3.19 0.01 0.00 0.02 0.00 0.00 46.19 42.87 1k5u s LEU 46 CO -0.30 0.07 -0.05 -0.44 0.02 0.00 0.00 176.35 175.64 1k5u s SER 47 N -0.29 0.82 -0.26 2.29 0.01 0.53 -4.91 113.70 111.89 1k5u s SER 47 Ca 0.37 -0.12 -0.18 0.00 1.31 0.00 0.00 55.95 57.33 1k5u s SER 47 Cb -0.21 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 1k5u s SER 47 CO 0.23 0.02 0.50 0.00 0.41 0.00 0.00 173.24 174.39 1k5u s ALA 48 N 0.35 3.59 0.00 1.44 0.00 -1.26 -0.03 121.76 125.84 1k5u s ALA 48 Ca -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1k5u s ALA 48 Cb -0.08 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1k5u s ALA 48 CO -0.00 -0.71 0.08 -1.91 0.00 0.00 0.00 175.76 173.21 1k5u n GLU 49 N 5.47 0.00 -0.63 0.00 2.13 0.43 -4.98 120.64 123.07 1k5u n GLU 49 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1k5u n GLU 49 Cb 0.50 -0.47 0.00 0.00 0.27 0.00 0.00 31.44 31.74 1k5u n GLU 49 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1k5u n SER 50 N -0.36 0.20 -4.70 4.31 3.41 -1.25 -5.01 113.62 110.22 1k5u n SER 50 Ca 0.00 -0.57 -0.41 0.00 -0.26 0.00 0.00 58.87 57.63 1k5u n SER 50 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1k5u n SER 50 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1k5u s VAL 51 N 1.27 4.91 -0.01 -3.33 0.11 -1.26 -3.26 120.40 118.83 1k5u s VAL 51 Ca 0.00 1.78 0.00 0.00 -2.93 0.00 0.00 61.98 60.83 1k5u s VAL 51 Cb 0.00 -4.20 0.00 0.00 -1.53 0.00 0.00 36.38 30.65 1k5u s VAL 51 CO 0.00 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 1k5u n GLY 52 N 3.13 0.42 2.89 6.54 0.00 -1.26 -5.03 105.19 111.89 1k5u n GLY 52 Ca 0.04 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 1k5u n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k5u s GLU 53 N -1.44 1.12 0.29 1.61 2.02 -1.20 -2.25 118.70 118.85 1k5u s GLU 53 Ca 0.00 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 54.86 1k5u s GLU 53 Cb 0.00 -1.16 -0.05 0.00 0.10 0.00 0.00 34.13 33.02 1k5u s GLU 53 CO 0.00 -0.15 0.09 0.14 0.02 0.00 0.00 175.26 175.35 1k5u s VAL 54 N 1.29 0.74 -0.01 2.63 -7.23 0.16 -0.43 120.40 117.55 1k5u s VAL 54 Ca -0.04 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.18 1k5u s VAL 54 Cb -0.14 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 1k5u s VAL 54 CO -0.02 0.00 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.27 1k5u s TYR 55 N -3.59 1.62 -0.20 2.82 2.02 0.96 -0.93 117.35 120.04 1k5u s TYR 55 Ca 0.37 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 1k5u s TYR 55 Cb 0.08 -1.05 0.05 0.00 -0.40 0.00 0.00 41.96 40.64 1k5u s TYR 55 CO 0.14 -0.03 -0.06 0.42 -1.57 0.00 0.00 175.55 174.46 1k5u s ILE 56 N -0.43 1.36 -0.06 2.71 1.01 -1.26 -0.35 121.20 124.18 1k5u s ILE 56 Ca 0.07 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1k5u s ILE 56 Cb -0.07 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.84 1k5u s ILE 56 CO -0.01 0.04 -0.16 -0.75 0.00 0.00 0.00 174.94 174.06 1k5u s LYS 57 N 1.50 1.97 0.03 2.79 2.20 -0.75 -0.11 119.74 127.38 1k5u s LYS 57 Ca -0.02 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 1k5u s LYS 57 Cb -0.17 -1.61 -0.07 0.00 -1.51 0.00 0.00 37.83 34.47 1k5u s LYS 57 CO -0.07 0.12 1.53 0.45 -0.36 0.00 0.00 175.35 177.02 1k5u s SER 58 N 0.41 6.73 0.25 1.43 0.15 0.21 -0.70 113.70 122.17 1k5u s SER 58 Ca -0.12 2.30 -0.03 0.00 0.70 0.00 0.00 55.95 58.80 1k5u s SER 58 Cb -0.15 -2.56 0.29 0.00 -1.71 0.00 0.00 66.02 61.89 1k5u s SER 58 CO 0.04 -0.80 1.74 0.71 1.20 0.00 0.00 173.24 176.13 1k5u h THR 59 N 4.86 1.25 0.00 6.45 1.35 -1.70 0.26 112.91 125.38 1k5u h THR 59 Ca -0.40 -1.02 -0.09 0.00 -0.55 0.00 0.00 66.41 64.35 1k5u h THR 59 Cb 1.19 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1k5u h THR 59 CO 0.92 0.36 -0.41 -0.08 -0.25 0.00 0.00 175.52 176.07 1k5u h GLU 60 N 0.79 0.00 0.00 4.72 4.57 -1.80 -3.36 114.58 119.50 1k5u h GLU 60 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1k5u h GLU 60 Cb 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1k5u h GLU 60 CO 0.02 0.41 0.00 0.25 -1.18 0.00 0.00 179.01 178.51 1k5u n THR 61 N -3.96 0.00 -0.94 0.32 -2.24 -1.19 -5.01 114.28 101.27 1k5u n THR 61 Ca -0.02 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1k5u n THR 61 Cb 0.45 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1k5u n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k5u n GLY 62 N 0.52 0.70 3.77 3.38 0.00 0.89 -4.99 105.19 109.46 1k5u n GLY 62 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1k5u n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k5u s GLN 63 N -0.22 4.39 -0.08 1.61 -0.21 -1.25 -4.74 119.66 119.15 1k5u s GLN 63 Ca 0.00 1.65 -0.05 0.00 0.02 0.00 0.00 55.36 56.97 1k5u s GLN 63 Cb 0.00 -2.85 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 1k5u s GLN 63 CO 0.00 0.03 0.13 0.71 -2.12 0.00 0.00 175.29 174.04 1k5u s TYR 64 N -1.42 3.53 0.45 0.91 1.51 0.12 -0.62 117.35 121.83 1k5u s TYR 64 Ca 0.51 0.44 -0.23 0.00 -1.01 0.00 0.00 57.07 56.79 1k5u s TYR 64 Cb -0.27 -1.89 -0.08 0.00 -0.11 0.00 0.00 41.96 39.62 1k5u s TYR 64 CO 0.34 0.68 1.09 -1.17 -1.11 0.00 0.00 175.55 175.38 1k5u s LEU 65 N -1.27 4.01 0.20 -1.29 2.96 0.84 0.94 118.68 125.07 1k5u s LEU 65 Ca 0.18 2.11 -0.22 0.00 -0.22 0.00 0.00 54.13 55.99 1k5u s LEU 65 Cb -0.12 -4.31 0.05 0.00 0.50 0.00 0.00 46.19 42.31 1k5u s LEU 65 CO 0.08 -0.74 0.63 0.00 -1.32 0.00 0.00 176.35 174.99 1k5u s ALA 66 N -1.69 -1.42 -0.07 5.97 0.00 -0.34 -4.23 121.76 119.97 1k5u s ALA 66 Ca 0.63 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.78 1k5u s ALA 66 Cb -0.23 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.78 1k5u s ALA 66 CO 0.28 -0.85 -0.09 1.41 0.00 0.00 0.00 175.76 176.51 1k5u s MET 67 N -3.81 1.44 0.85 0.00 1.75 0.11 -0.63 119.30 119.01 1k5u s MET 67 Ca 0.05 -0.29 -0.12 0.00 -1.25 0.00 0.00 55.69 54.08 1k5u s MET 67 Cb -0.03 -1.32 0.14 0.00 2.84 0.00 0.00 34.83 36.47 1k5u s MET 67 CO -0.06 -0.08 1.20 0.16 -0.65 0.00 0.00 175.02 175.59 1k5u s ASP 68 N 1.01 3.89 0.39 1.11 1.47 0.30 -4.77 116.67 120.07 1k5u s ASP 68 Ca -0.09 0.37 0.11 0.00 1.18 0.00 0.00 52.55 54.13 1k5u s ASP 68 Cb -0.15 -0.66 0.91 0.00 -0.34 0.00 0.00 42.92 42.68 1k5u s ASP 68 CO -0.00 -2.24 1.91 0.71 0.68 0.00 0.00 175.17 176.22 1k5u h THR 69 N -1.20 0.85 0.00 2.11 1.35 -2.02 0.63 112.91 114.63 1k5u h THR 69 Ca -0.44 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1k5u h THR 69 Cb 1.28 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1k5u h THR 69 CO 0.49 0.11 0.00 0.47 -0.25 0.00 0.00 175.52 176.34 1k5u n ASP 70 N -4.51 0.00 0.00 5.36 9.92 -1.26 -4.84 116.55 121.21 1k5u n ASP 70 Ca 0.15 -1.17 0.00 0.00 -0.53 0.00 0.00 54.79 53.24 1k5u n ASP 70 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1k5u n ASP 70 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k5u n GLY 71 N 0.76 0.47 3.77 0.44 0.00 0.22 -4.58 105.19 106.27 1k5u n GLY 71 Ca 0.17 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 1k5u n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k5u s LEU 72 N 0.00 4.45 0.00 0.99 2.96 -1.22 0.00 118.68 125.86 1k5u s LEU 72 Ca 0.00 1.26 -0.23 0.00 -0.22 0.00 0.00 54.13 54.93 1k5u s LEU 72 Cb 0.00 -3.00 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 1k5u s LEU 72 CO 0.00 0.12 0.71 -0.76 -1.32 0.00 0.00 176.35 175.10 1k5u s LEU 73 N -0.37 4.41 0.14 -0.68 1.43 -1.26 0.11 118.68 122.46 1k5u s LEU 73 Ca 0.32 1.31 -0.16 0.00 -1.03 0.00 0.00 54.13 54.57 1k5u s LEU 73 Cb -0.19 -3.12 0.03 0.00 0.03 0.00 0.00 46.19 42.95 1k5u s LEU 73 CO 0.19 0.00 0.43 -0.72 0.23 0.00 0.00 176.35 176.48 1k5u s TYR 74 N 0.14 -0.19 -0.11 0.29 -0.85 0.20 -4.20 117.35 112.63 1k5u s TYR 74 Ca 0.36 -0.12 -0.21 0.00 -0.52 0.00 0.00 57.07 56.58 1k5u s TYR 74 Cb -0.19 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.40 1k5u s TYR 74 CO 0.20 -0.75 0.59 0.20 -1.52 0.00 0.00 175.55 174.28 1k5u s GLY 75 N -2.82 2.43 -0.19 5.49 0.00 0.20 -1.20 107.32 111.22 1k5u s GLY 75 Ca 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 44.72 44.65 1k5u s GLY 75 CO -0.10 1.03 -0.04 -0.45 0.00 0.00 0.00 173.10 173.53 1k5u s SER 76 N 0.79 4.46 0.30 1.64 0.15 0.27 -4.78 113.70 116.53 1k5u s SER 76 Ca 0.31 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1k5u s SER 76 Cb -0.16 -1.75 0.52 0.00 -1.71 0.00 0.00 66.02 62.92 1k5u s SER 76 CO 0.13 0.05 1.91 1.56 1.20 0.00 0.00 173.24 178.10 1k5u h GLN 77 N 7.58 1.01 -6.31 5.44 1.08 -1.86 0.35 115.11 122.41 1k5u h GLN 77 Ca -0.36 -0.06 -0.59 0.00 -1.45 0.00 0.00 58.65 56.19 1k5u h GLN 77 Cb 1.18 -0.23 -0.11 0.00 -0.05 0.00 0.00 27.48 28.27 1k5u h GLN 77 CO 0.60 0.67 -0.66 0.95 -0.95 0.00 0.00 178.83 179.44 1k5u s THR 78 N -5.91 3.57 0.44 -0.54 -4.23 -1.26 -4.71 115.64 103.00 1k5u s THR 78 Ca -0.12 -1.62 -0.21 0.00 -1.18 0.00 0.00 61.69 58.57 1k5u s THR 78 Cb 0.20 -2.84 -0.10 0.00 1.34 0.00 0.00 72.50 71.10 1k5u s THR 78 CO 0.80 -0.21 0.98 -2.84 -0.54 0.00 0.00 174.62 172.82 1k5u s PRO 79 N -3.20 4.11 0.24 3.99 0.02 -1.26 -4.75 135.00 134.16 1k5u s PRO 79 Ca 0.28 1.22 -0.21 0.00 0.02 0.00 0.00 61.00 62.31 1k5u s PRO 79 Cb -0.08 -2.19 0.05 0.00 0.02 0.00 0.00 34.50 32.30 1k5u s PRO 79 CO 0.19 -0.15 0.88 0.54 -0.33 0.00 0.00 177.00 178.13 1k5u s ASN 80 N -2.07 -0.11 0.35 2.53 2.20 -1.26 -5.00 114.94 111.58 1k5u s ASN 80 Ca 0.63 -0.69 0.15 0.00 -0.94 0.00 0.00 52.86 52.02 1k5u s ASN 80 Cb -0.12 0.63 1.07 0.00 -2.00 0.00 0.00 41.25 40.83 1k5u s ASN 80 CO 0.16 -1.21 1.69 1.05 -2.94 0.00 0.00 177.10 175.85 1k5u h GLU 81 N 2.00 0.37 0.00 3.55 4.11 -1.98 1.41 114.58 124.04 1k5u h GLU 81 Ca -0.26 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1k5u h GLU 81 Cb 1.24 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1k5u h GLU 81 CO 0.31 0.25 0.00 0.39 0.07 0.00 0.00 179.01 180.02 1k5u n GLU 82 N -4.92 0.42 0.00 1.06 1.02 -1.26 -2.97 120.64 113.99 1k5u n GLU 82 Ca 0.30 0.05 0.11 0.00 -0.02 0.00 0.00 57.16 57.60 1k5u n GLU 82 Cb 0.94 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1k5u n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k5u s LEU 84 N -2.89 4.32 -0.03 0.00 2.96 -1.16 -4.59 118.68 117.31 1k5u s LEU 84 Ca 0.11 1.41 0.04 0.00 -0.22 0.00 0.00 54.13 55.48 1k5u s LEU 84 Cb 0.17 -3.34 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 1k5u s LEU 84 CO 0.77 -0.22 -0.16 -0.36 -1.32 0.00 0.00 176.35 175.06 1k5u s PHE 85 N 1.08 1.50 -0.66 5.38 0.08 -0.11 -2.16 117.98 123.09 1k5u s PHE 85 Ca 0.45 -0.37 -0.24 0.00 0.12 0.00 0.00 56.93 56.89 1k5u s PHE 85 Cb -0.19 -1.00 0.05 0.00 -0.57 0.00 0.00 43.02 41.31 1k5u s PHE 85 CO 0.22 -0.10 1.05 -0.51 -0.10 0.00 0.00 175.22 175.78 1k5u s LEU 86 N -0.11 3.98 0.08 -0.37 1.43 0.13 0.38 118.68 124.20 1k5u s LEU 86 Ca 0.00 -0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 52.09 1k5u s LEU 86 Cb -0.09 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 1k5u s LEU 86 CO 0.01 -1.52 0.97 -0.70 0.23 0.00 0.00 176.35 175.33 1k5u s GLU 87 N 4.53 4.65 -0.05 1.70 2.12 -0.95 -1.99 118.70 128.71 1k5u s GLU 87 Ca 0.27 1.44 -0.02 0.00 0.36 0.00 0.00 54.97 57.02 1k5u s GLU 87 Cb -0.14 -3.40 0.03 0.00 0.26 0.00 0.00 34.13 30.88 1k5u s GLU 87 CO 0.13 0.13 0.11 1.03 -0.54 0.00 0.00 175.26 176.12 1k5u s ARG 88 N 0.32 0.06 -0.41 4.30 1.81 -0.25 -4.78 118.95 120.00 1k5u s ARG 88 Ca 0.48 0.29 -0.20 0.00 -1.72 0.00 0.00 55.73 54.59 1k5u s ARG 88 Cb -0.23 -0.17 0.02 0.00 -0.45 0.00 0.00 34.95 34.12 1k5u s ARG 88 CO 0.29 -0.15 0.61 -1.17 -0.68 0.00 0.00 175.30 174.20 1k5u s LEU 89 N 1.01 4.46 0.61 2.53 0.20 -1.26 -1.24 118.68 124.99 1k5u s LEU 89 Ca -0.08 -0.23 -0.16 0.00 0.69 0.00 0.00 54.13 54.35 1k5u s LEU 89 Cb -0.11 -2.69 -0.03 0.00 -0.43 0.00 0.00 46.19 42.94 1k5u s LEU 89 CO -0.04 -0.68 1.09 -1.61 -0.29 0.00 0.00 176.35 174.81 1k5u s GLU 90 N 2.68 3.12 0.53 1.98 0.41 0.38 -4.89 118.70 122.91 1k5u s GLU 90 Ca 0.21 1.33 0.25 0.00 -0.41 0.00 0.00 54.97 56.36 1k5u s GLU 90 Cb -0.15 -2.00 1.39 0.00 -1.78 0.00 0.00 34.13 31.60 1k5u s GLU 90 CO 0.17 -0.99 2.01 0.93 -0.49 0.00 0.00 175.26 176.88 1k5u h GLU 91 N 0.39 0.00 0.00 1.61 5.08 -1.97 0.80 114.58 120.50 1k5u h GLU 91 Ca -0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1k5u h GLU 91 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1k5u h GLU 91 CO 0.56 0.00 -0.01 -0.97 -1.00 0.00 0.00 179.01 177.59 1k5u h ASN 92 N 0.00 0.00 0.00 1.42 -0.73 -2.02 -3.45 115.58 110.80 1k5u h ASN 92 Ca 0.24 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.41 1k5u h ASN 92 Cb 0.95 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.54 1k5u h ASN 92 CO -0.00 0.01 0.00 0.61 -0.37 0.00 0.00 177.43 177.67 1k5u n GLY 93 N -1.20 0.68 3.91 1.57 0.00 0.28 -5.06 105.19 105.37 1k5u n GLY 93 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1k5u n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k5u s TYR 94 N -2.32 3.53 0.25 1.61 2.02 -1.25 -4.84 117.35 116.34 1k5u s TYR 94 Ca 0.00 0.33 -0.03 0.00 -0.37 0.00 0.00 57.07 57.01 1k5u s TYR 94 Cb 0.00 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.69 1k5u s TYR 94 CO 0.00 0.59 0.47 -0.80 -1.57 0.00 0.00 175.55 174.24 1k5u s ASN 95 N -2.32 6.41 0.00 2.29 0.02 0.13 -0.47 114.94 121.00 1k5u s ASN 95 Ca 0.33 0.55 0.01 0.00 -1.02 0.00 0.00 52.86 52.74 1k5u s ASN 95 Cb -0.13 -2.07 -0.01 0.00 0.02 0.00 0.00 41.25 39.06 1k5u s ASN 95 CO 0.25 -0.13 -0.04 0.42 0.02 0.00 0.00 177.10 177.62 1k5u s THR 96 N -1.99 0.33 -0.16 1.60 -4.23 -0.38 -0.63 115.64 110.18 1k5u s THR 96 Ca 0.41 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 1k5u s THR 96 Cb -0.11 -0.30 0.03 0.00 1.34 0.00 0.00 72.50 73.47 1k5u s THR 96 CO 0.30 0.04 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.98 1k5u s TYR 97 N -0.23 2.16 -0.10 3.99 1.51 -1.26 -1.10 117.35 122.33 1k5u s TYR 97 Ca 0.00 -1.29 -0.02 0.00 -1.01 0.00 0.00 57.07 54.75 1k5u s TYR 97 Cb -0.02 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1k5u s TYR 97 CO -0.00 -0.68 0.00 0.42 -1.11 0.00 0.00 175.55 174.18 1k5u s ILE 98 N 1.49 4.30 -0.08 2.71 1.01 -0.84 -1.19 121.20 128.59 1k5u s ILE 98 Ca 0.03 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 1k5u s ILE 98 Cb -0.14 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1k5u s ILE 98 CO -0.10 0.59 1.47 -0.55 0.00 0.00 0.00 174.94 176.35 1k5u s SER 99 N -0.70 6.80 0.16 3.58 0.15 -0.28 0.20 113.70 123.62 1k5u s SER 99 Ca 0.11 2.02 -0.15 0.00 0.70 0.00 0.00 55.95 58.63 1k5u s SER 99 Cb -0.12 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.72 1k5u s SER 99 CO 0.02 -0.83 1.78 0.50 1.20 0.00 0.00 173.24 175.92 1k5u h LYS 100 N 8.73 0.41 -0.10 5.44 3.64 -1.75 0.68 116.57 133.61 1k5u h LYS 100 Ca -0.34 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1k5u h LYS 100 Cb 1.15 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1k5u h LYS 100 CO 0.95 0.27 0.19 -0.22 -2.27 0.00 0.00 179.45 178.37 1k5u h LYS 101 N 0.42 0.00 0.00 1.90 3.64 -1.80 -1.82 116.57 118.92 1k5u h LYS 101 Ca 0.17 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1k5u h LYS 101 Cb 0.07 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.75 1k5u h LYS 101 CO -0.11 0.00 -0.61 0.72 -2.27 0.00 0.00 179.45 177.18 1k5u n HIS 102 N -3.42 0.00 -0.15 1.91 8.25 -0.60 -4.87 115.22 116.34 1k5u n HIS 102 Ca -0.00 -0.73 -0.03 0.00 -0.26 0.00 0.00 57.72 56.70 1k5u n HIS 102 Cb 0.28 -0.15 0.05 0.00 1.12 0.00 0.00 29.99 31.29 1k5u n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k5u h ALA 103 N 0.61 0.45 -0.01 -1.41 0.00 0.12 -0.75 119.26 118.27 1k5u h ALA 103 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1k5u h ALA 103 Cb 1.41 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1k5u h ALA 103 CO 0.04 -0.39 0.10 1.05 0.00 0.00 0.00 179.25 180.05 1k5u h GLU 104 N 0.11 0.00 -0.00 0.00 4.11 -1.85 0.44 114.58 117.39 1k5u h GLU 104 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 1k5u h GLU 104 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1k5u h GLU 104 CO -0.40 0.00 -0.61 0.36 0.07 0.00 0.00 179.01 178.44 1k5u n LYS 105 N -3.09 0.19 -3.41 1.06 0.00 -0.33 -4.97 118.16 107.61 1k5u n LYS 105 Ca -0.03 -0.13 -0.18 0.00 -0.00 0.00 0.00 58.31 57.97 1k5u n LYS 105 Cb 0.17 -1.50 0.08 0.00 -0.00 0.00 0.00 35.03 33.78 1k5u n LYS 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1k5u n ASN 106 N -1.29 -3.79 -4.57 -5.58 5.03 0.15 -4.95 115.26 100.27 1k5u n ASN 106 Ca 0.06 -0.54 -0.43 0.00 0.87 0.00 0.00 54.58 54.55 1k5u n ASN 106 Cb 0.34 -4.74 -0.03 0.00 -1.02 0.00 0.00 39.78 34.34 1k5u n ASN 106 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1k5u s TRP 107 N -3.32 2.72 0.29 3.10 0.52 -1.19 -4.72 118.94 116.34 1k5u s TRP 107 Ca 0.24 0.41 0.06 0.00 0.02 0.00 0.00 56.10 56.83 1k5u s TRP 107 Cb -0.10 -4.36 -0.02 0.00 -1.15 0.00 0.00 33.47 27.83 1k5u s TRP 107 CO 0.67 -1.42 0.41 -0.06 0.02 0.00 0.00 176.95 176.58 1k5u s PHE 108 N 4.53 3.25 0.16 -1.98 0.08 -1.26 -1.12 117.98 121.64 1k5u s PHE 108 Ca 0.41 -0.14 -0.27 0.00 0.12 0.00 0.00 56.93 57.05 1k5u s PHE 108 Cb -0.08 -1.79 -0.08 0.00 -0.57 0.00 0.00 43.02 40.50 1k5u s PHE 108 CO 0.26 0.20 0.85 0.08 -0.10 0.00 0.00 175.22 176.52 1k5u s VAL 109 N -2.10 4.35 -0.20 -0.44 1.01 -0.33 -4.52 120.40 118.18 1k5u s VAL 109 Ca 0.40 1.87 -0.28 0.00 0.00 0.00 0.00 61.98 63.96 1k5u s VAL 109 Cb -0.09 -4.22 0.13 0.00 0.00 0.00 0.00 36.38 32.19 1k5u s VAL 109 CO 0.30 0.46 1.01 -0.83 0.00 0.00 0.00 175.10 176.04 1k5u s GLY 110 N -0.81 -0.23 0.07 4.51 0.00 -1.26 -4.42 107.32 105.19 1k5u s GLY 110 Ca 0.40 2.25 0.06 0.00 0.00 0.00 0.00 44.72 47.42 1k5u s GLY 110 CO 0.28 1.30 -0.09 1.08 0.00 0.00 0.00 173.10 175.67 1k5u s LEU 111 N -0.66 3.06 0.62 0.66 1.43 -1.00 0.13 118.68 122.92 1k5u s LEU 111 Ca -0.00 -0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1k5u s LEU 111 Cb -0.02 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1k5u s LEU 111 CO -0.01 0.21 0.95 -0.54 0.23 0.00 0.00 176.35 177.19 1k5u s LYS 112 N -1.94 2.83 0.59 1.70 1.02 0.20 -4.49 119.74 119.66 1k5u s LYS 112 Ca 0.20 0.05 0.29 0.00 0.02 0.00 0.00 55.97 56.53 1k5u s LYS 112 Cb -0.11 -2.22 1.60 0.00 -0.52 0.00 0.00 37.83 36.58 1k5u s LYS 112 CO 0.12 -0.81 1.88 0.87 -0.92 0.00 0.00 175.35 176.49 1k5u h LYS 113 N -0.30 0.00 -0.02 1.68 1.57 -1.88 0.58 116.57 118.21 1k5u h LYS 113 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1k5u h LYS 113 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1k5u h LYS 113 CO 0.61 0.00 -0.02 0.27 -0.57 0.00 0.00 179.45 179.74 1k5u n ASN 114 N -2.75 1.63 0.00 0.86 2.04 -1.26 -4.42 115.26 111.35 1k5u n ASN 114 Ca -0.02 -1.51 0.00 0.00 -0.44 0.00 0.00 54.58 52.61 1k5u n ASN 114 Cb 0.30 0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.56 1k5u n ASN 114 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1k5u n GLY 115 N 1.21 1.38 3.80 4.83 0.00 0.20 -4.96 105.19 111.65 1k5u n GLY 115 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1k5u n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k5u s SER 116 N -3.12 6.60 0.57 1.61 0.01 -1.26 -0.75 113.70 117.36 1k5u s SER 116 Ca 0.00 1.90 -0.17 0.00 1.31 0.00 0.00 55.95 58.99 1k5u s SER 116 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 1k5u s SER 116 CO 0.00 -0.60 1.07 0.00 0.41 0.00 0.00 173.24 174.12 1k5u s LYS 118 N -3.77 4.07 0.47 0.00 2.20 0.34 -4.69 119.74 118.37 1k5u s LYS 118 Ca 0.66 -0.07 -0.24 0.00 -0.36 0.00 0.00 55.97 55.96 1k5u s LYS 118 Cb -0.18 -3.37 -0.07 0.00 -1.51 0.00 0.00 37.83 32.70 1k5u s LYS 118 CO 0.32 0.38 1.29 -0.98 -0.36 0.00 0.00 175.35 176.00 1k5u s ARG 119 N 0.10 3.62 0.17 4.03 1.70 -1.26 -4.41 118.95 122.89 1k5u s ARG 119 Ca 0.13 2.08 -0.19 0.00 -0.47 0.00 0.00 55.73 57.27 1k5u s ARG 119 Cb -0.12 -2.48 0.10 0.00 -0.57 0.00 0.00 34.95 31.88 1k5u s ARG 119 CO 0.02 -0.76 1.63 0.78 -1.08 0.00 0.00 175.30 175.88 1k5u h GLY 120 N 2.07 0.04 1.48 3.88 0.00 -0.66 0.55 103.07 110.44 1k5u h GLY 120 Ca -0.50 0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.18 1k5u h GLY 120 CO 0.60 -0.20 0.20 -0.56 0.00 0.00 0.00 176.54 176.57 1k5u h PRO 121 N -0.15 0.00 0.00 4.80 0.13 -1.82 -0.38 132.00 134.58 1k5u h PRO 121 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1k5u h PRO 121 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1k5u h PRO 121 CO -0.50 0.00 -0.16 0.54 -0.23 0.00 0.00 178.00 177.65 1k5u n ARG 122 N -4.06 0.07 -2.62 0.86 5.12 0.15 -4.90 116.66 111.28 1k5u n ARG 122 Ca 0.02 0.05 -0.29 0.00 -1.93 0.00 0.00 57.85 55.70 1k5u n ARG 122 Cb 0.34 -1.57 -0.01 0.00 -1.16 0.00 0.00 32.46 30.05 1k5u n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1k5u s THR 123 N -3.03 4.83 -0.08 0.55 -4.23 -0.15 -4.95 115.64 108.58 1k5u s THR 123 Ca 0.12 0.46 -0.31 0.00 -1.18 0.00 0.00 61.69 60.79 1k5u s THR 123 Cb 0.17 -3.81 0.08 0.00 1.34 0.00 0.00 72.50 70.28 1k5u s THR 123 CO 0.59 -0.76 0.74 -1.38 -0.54 0.00 0.00 174.62 173.27 1k5u s HIS 124 N -2.65 -0.61 0.66 3.99 -3.43 -1.26 -4.87 115.29 107.11 1k5u s HIS 124 Ca 0.50 1.07 -0.17 0.00 -0.80 0.00 0.00 55.06 55.66 1k5u s HIS 124 Cb -0.10 0.41 -0.00 0.00 -1.43 0.00 0.00 32.58 31.46 1k5u s HIS 124 CO 0.41 -0.55 1.21 -0.47 -2.00 0.00 0.00 174.74 173.33 1k5u s TYR 125 N -1.12 2.24 0.00 0.38 5.04 -1.26 -2.48 117.35 120.15 1k5u s TYR 125 Ca -0.09 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1k5u s TYR 125 Cb -0.00 -3.47 0.00 0.00 0.35 0.00 0.00 41.96 38.83 1k5u s TYR 125 CO 0.08 -2.40 0.00 0.41 -1.34 0.00 0.00 175.55 172.30 1k5u n GLY 126 N 0.41 2.64 3.88 8.97 0.00 -1.26 -5.05 105.19 114.79 1k5u n GLY 126 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1k5u n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k5u s GLN 127 N -0.87 3.79 0.29 1.61 -0.21 -1.04 -4.97 119.66 118.27 1k5u s GLN 127 Ca 0.00 0.26 0.25 0.00 0.02 0.00 0.00 55.36 55.90 1k5u s GLN 127 Cb 0.00 -2.65 0.73 0.00 1.00 0.00 0.00 33.01 32.09 1k5u s GLN 127 CO 0.00 0.32 1.74 1.57 -2.12 0.00 0.00 175.29 176.79 1k5u h LYS 128 N 2.53 0.00 -0.16 2.91 5.09 -1.96 -3.25 116.57 121.72 1k5u h LYS 128 Ca -0.47 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.24 1k5u h LYS 128 Cb 1.17 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.49 1k5u h LYS 128 CO 0.69 0.00 -0.02 0.00 -2.09 0.00 0.00 179.45 178.03 1k5u h ALA 129 N 2.35 1.67 0.00 0.07 0.00 -1.93 -2.92 119.26 118.49 1k5u h ALA 129 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1k5u h ALA 129 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1k5u h ALA 129 CO 0.00 0.25 -0.43 0.44 0.00 0.00 0.00 179.25 179.51 1k5u n ILE 130 N -4.38 0.10 -2.88 0.00 -5.35 -1.23 -2.38 119.36 103.25 1k5u n ILE 130 Ca -0.01 -0.07 -0.42 0.00 -0.27 0.00 0.00 62.75 61.98 1k5u n ILE 130 Cb 0.18 0.01 -0.04 0.00 -1.74 0.00 0.00 39.64 38.05 1k5u n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1k5u s LEU 131 N -3.34 4.12 0.04 7.28 1.43 -1.11 -4.42 118.68 122.69 1k5u s LEU 131 Ca 0.10 1.11 0.04 0.00 -1.03 0.00 0.00 54.13 54.36 1k5u s LEU 131 Cb 0.17 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 1k5u s LEU 131 CO 0.67 -0.47 -0.13 -0.36 0.23 0.00 0.00 176.35 176.29 1k5u s PHE 132 N 2.55 1.13 -0.25 0.29 0.40 0.19 -2.41 117.98 119.88 1k5u s PHE 132 Ca 0.37 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1k5u s PHE 132 Cb -0.16 -0.67 0.04 0.00 0.51 0.00 0.00 43.02 42.74 1k5u s PHE 132 CO 0.09 0.02 -0.08 -1.17 0.70 0.00 0.00 175.22 174.79 1k5u s LEU 133 N -1.21 3.24 -0.04 -0.37 2.96 -0.27 0.19 118.68 123.18 1k5u s LEU 133 Ca -0.00 -1.03 -0.30 0.00 -0.22 0.00 0.00 54.13 52.58 1k5u s LEU 133 Cb -0.08 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1k5u s LEU 133 CO 0.01 -0.15 1.22 -2.16 -1.32 0.00 0.00 176.35 173.96 1k5u s PRO 134 N 1.26 4.35 -0.06 0.98 0.05 -1.26 -1.94 135.00 138.38 1k5u s PRO 134 Ca -0.02 1.72 0.03 0.00 0.05 0.00 0.00 61.00 62.77 1k5u s PRO 134 Cb -0.17 -3.54 -0.03 0.00 0.05 0.00 0.00 34.50 30.81 1k5u s PRO 134 CO -0.05 -0.45 -0.14 -0.51 0.05 0.00 0.00 177.00 175.91 1k5u s LEU 135 N 2.14 2.77 0.52 -3.56 1.43 0.18 -4.87 118.68 117.28 1k5u s LEU 135 Ca 0.57 -0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 53.25 1k5u s LEU 135 Cb -0.26 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 1k5u s LEU 135 CO 0.23 0.33 1.33 -2.84 0.23 0.00 0.00 176.35 175.63 1k5u s PRO 136 N -0.65 3.34 0.69 1.29 0.02 -1.26 0.56 135.00 138.99 1k5u s PRO 136 Ca 0.10 2.16 -0.10 0.00 0.02 0.00 0.00 61.00 63.18 1k5u s PRO 136 Cb -0.11 -2.34 0.02 0.00 0.02 0.00 0.00 34.50 32.09 1k5u s PRO 136 CO 0.01 -1.01 1.06 0.14 -0.33 0.00 0.00 177.00 176.87 1k5u s VAL 137 N -1.34 3.31 0.00 3.83 -7.23 -1.20 -4.70 120.40 113.08 1k5u s VAL 137 Ca 0.68 0.28 0.00 0.00 -1.81 0.00 0.00 61.98 61.13 1k5u s VAL 137 Cb -0.38 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1k5u s VAL 137 CO 0.46 -0.49 0.00 -0.24 -0.31 0.00 0.00 175.10 174.52