#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5u s PRO 11 N 0.00 0.16 0.13 -1.58 0.04 -1.26 -4.71 135.00 127.77 1k5u s PRO 11 Ca 0.00 0.57 -0.03 0.00 0.04 0.00 0.00 61.00 61.58 1k5u s PRO 11 Cb 0.00 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 1k5u s PRO 11 CO 0.00 -2.93 0.10 0.15 0.04 0.00 0.00 177.00 174.36 1k5u s LYS 12 N -4.87 0.94 -0.23 4.56 1.02 0.92 -4.03 119.74 118.05 1k5u s LYS 12 Ca 0.66 -1.34 -0.06 0.00 0.02 0.00 0.00 55.97 55.25 1k5u s LYS 12 Cb -0.20 0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 37.36 1k5u s LYS 12 CO 0.59 -0.28 0.02 -0.51 -0.92 0.00 0.00 175.35 174.25 1k5u s LEU 13 N -3.01 3.25 -0.63 3.17 1.43 0.23 -1.82 118.68 121.29 1k5u s LEU 13 Ca 0.20 -0.26 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 1k5u s LEU 13 Cb 0.06 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.49 1k5u s LEU 13 CO -0.00 -0.01 0.99 -0.76 0.23 0.00 0.00 176.35 176.80 1k5u s LEU 14 N 1.43 4.14 -0.14 1.79 1.43 -1.26 0.14 118.68 126.21 1k5u s LEU 14 Ca 0.05 -0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 52.25 1k5u s LEU 14 Cb -0.15 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 1k5u s LEU 14 CO 0.01 -1.42 0.57 -0.47 0.23 0.00 0.00 176.35 175.28 1k5u s TYR 15 N 4.23 3.47 -0.30 0.29 5.04 0.43 -0.97 117.35 129.54 1k5u s TYR 15 Ca 0.26 0.96 -0.07 0.00 -2.44 0.00 0.00 57.07 55.79 1k5u s TYR 15 Cb -0.14 -2.69 0.01 0.00 0.35 0.00 0.00 41.96 39.49 1k5u s TYR 15 CO 0.14 0.02 0.08 0.00 -1.34 0.00 0.00 175.55 174.45 1k5u h SER 17 N 8.23 0.00 -0.04 0.00 4.64 -1.76 -0.72 113.55 123.90 1k5u h SER 17 Ca -0.31 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.02 1k5u h SER 17 Cb 1.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1k5u h SER 17 CO 0.60 0.03 -0.15 -1.13 -0.87 0.00 0.00 176.83 175.31 1k5u h ASN 18 N 0.00 -0.48 -0.01 4.97 -1.24 -1.80 -3.31 115.58 113.71 1k5u h ASN 18 Ca -0.00 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1k5u h ASN 18 Cb 0.17 0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.41 1k5u h ASN 18 CO 0.00 -0.13 -0.12 0.61 -1.29 0.00 0.00 177.43 176.50 1k5u n GLY 19 N -1.12 -0.30 1.69 1.57 0.00 -1.24 -4.82 105.19 100.97 1k5u n GLY 19 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.73 0.63 3.88 -0.02 0.00 -0.29 -5.00 105.19 105.13 1k5u n GLY 20 Ca 0.04 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.14 3.32 -0.19 1.61 3.76 -1.14 -4.50 115.29 116.01 1k5u s HIS 21 Ca 0.00 0.03 -0.09 0.00 -0.15 0.00 0.00 55.06 54.85 1k5u s HIS 21 Cb 0.00 -1.58 -0.05 0.00 1.11 0.00 0.00 32.58 32.07 1k5u s HIS 21 CO 0.00 0.51 0.11 -0.06 -0.85 0.00 0.00 174.74 174.45 1k5u s PHE 22 N -1.80 3.38 0.31 1.40 0.08 0.13 -0.84 117.98 120.64 1k5u s PHE 22 Ca 0.33 0.27 -0.30 0.00 0.12 0.00 0.00 56.93 57.36 1k5u s PHE 22 Cb -0.10 -2.12 -0.11 0.00 -0.57 0.00 0.00 43.02 40.12 1k5u s PHE 22 CO 0.26 0.29 1.58 -1.17 -0.10 0.00 0.00 175.22 176.08 1k5u s LEU 23 N 0.24 4.34 -0.09 -0.37 2.96 -0.14 -1.13 118.68 124.47 1k5u s LEU 23 Ca 0.07 2.99 -0.02 0.00 -0.22 0.00 0.00 54.13 56.95 1k5u s LEU 23 Cb -0.11 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 42.97 1k5u s LEU 23 CO -0.01 -0.92 0.04 -0.60 -1.32 0.00 0.00 176.35 173.54 1k5u s ARG 24 N -0.85 0.32 -0.39 1.98 3.52 0.97 -4.36 118.95 120.15 1k5u s ARG 24 Ca 0.61 0.10 -0.19 0.00 -0.13 0.00 0.00 55.73 56.12 1k5u s ARG 24 Cb -0.48 -1.10 0.01 0.00 -1.56 0.00 0.00 34.95 31.82 1k5u s ARG 24 CO 0.51 -0.41 0.53 0.42 -0.81 0.00 0.00 175.30 175.55 1k5u s ILE 25 N 2.04 4.98 0.61 4.11 1.01 -1.20 -0.75 121.20 132.00 1k5u s ILE 25 Ca 0.04 0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.74 1k5u s ILE 25 Cb -0.13 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 1k5u s ILE 25 CO -0.05 -0.36 1.00 -0.76 0.00 0.00 0.00 174.94 174.77 1k5u s LEU 26 N 2.46 3.27 0.49 2.97 1.43 0.18 -4.85 118.68 124.63 1k5u s LEU 26 Ca 0.18 1.36 0.14 0.00 -1.03 0.00 0.00 54.13 54.78 1k5u s LEU 26 Cb -0.15 -4.39 1.15 0.00 0.03 0.00 0.00 46.19 42.82 1k5u s LEU 26 CO 0.15 -0.84 2.10 -0.65 0.23 0.00 0.00 176.35 177.33 1k5u h PRO 27 N -0.26 0.07 -0.16 1.29 0.11 -1.97 -2.18 132.00 128.90 1k5u h PRO 27 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1k5u h PRO 27 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1k5u h PRO 27 CO 0.62 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 1k5u n ASP 28 N -4.48 0.84 0.00 -2.05 5.75 -1.26 -4.86 116.55 110.49 1k5u n ASP 28 Ca -0.02 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1k5u n ASP 28 Cb 0.12 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1k5u n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k5u n GLY 29 N 0.75 1.10 3.79 6.12 0.00 -0.82 -5.00 105.19 111.13 1k5u n GLY 29 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1k5u n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k5u s THR 30 N -2.77 3.87 -0.05 2.61 2.01 -1.25 -0.75 115.64 119.31 1k5u s THR 30 Ca 0.00 1.29 0.04 0.00 0.31 0.00 0.00 61.69 63.33 1k5u s THR 30 Cb 0.00 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1k5u s THR 30 CO 0.00 -0.13 -0.16 -0.69 -0.69 0.00 0.00 174.62 172.95 1k5u s VAL 31 N -1.86 1.33 0.00 3.82 1.01 -1.26 0.47 120.40 123.91 1k5u s VAL 31 Ca 0.62 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1k5u s VAL 31 Cb -0.18 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1k5u s VAL 31 CO 0.22 0.39 0.00 -0.90 0.00 0.00 0.00 175.10 174.81 1k5u n ASP 32 N 3.35 0.00 -4.06 3.32 5.75 0.07 -4.49 116.55 120.49 1k5u n ASP 32 Ca -0.19 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.49 1k5u n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 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 0.45 -0.00 6.12 0.00 -0.27 -0.02 107.32 113.60 1k5u s GLY 33 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 1k5u s GLY 33 CO 0.00 -1.00 0.01 -1.08 0.00 0.00 0.00 173.10 171.03 1k5u s THR 34 N -2.45 0.02 -0.77 0.90 -1.32 -0.29 -4.83 115.64 106.91 1k5u s THR 34 Ca -0.04 -0.20 0.26 0.00 -1.21 0.00 0.00 61.69 60.50 1k5u s THR 34 Cb -0.03 -0.09 0.22 0.00 -1.51 0.00 0.00 72.50 71.10 1k5u s THR 34 CO -0.04 -0.11 1.70 0.54 -2.21 0.00 0.00 174.62 174.50 1k5u n ARG 35 N 2.74 0.21 -2.50 7.08 1.74 -1.26 0.18 116.66 124.85 1k5u n ARG 35 Ca -0.15 0.14 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1k5u n ARG 35 Cb 0.59 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 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 -4.14 6.67 0.47 0.55 2.15 -1.26 -4.89 116.67 116.22 1k5u s ASP 36 Ca 0.10 0.97 0.26 0.00 0.43 0.00 0.00 52.55 54.31 1k5u s ASP 36 Cb 0.14 -2.54 1.06 0.00 -0.30 0.00 0.00 42.92 41.28 1k5u s ASP 36 CO 0.61 -1.12 1.88 -0.09 -0.17 0.00 0.00 175.17 176.28 1k5u h ARG 37 N 9.22 0.00 -0.00 4.34 2.43 -1.99 -2.76 114.38 125.61 1k5u h ARG 37 Ca -0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1k5u h ARG 37 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1k5u h ARG 37 CO 1.06 0.17 -0.25 -1.13 -1.51 0.00 0.00 179.97 178.31 1k5u n SER 38 N -3.35 0.66 -4.68 -3.80 3.41 -1.26 -4.91 113.62 99.70 1k5u n SER 38 Ca 0.00 -0.55 -0.50 0.00 -0.26 0.00 0.00 58.87 57.56 1k5u n SER 38 Cb 0.39 0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.99 2.98 0.29 4.04 -0.08 -1.04 -4.83 116.55 116.92 1k5u n ASP 39 Ca 0.11 1.03 0.17 0.00 -1.51 0.00 0.00 54.79 54.59 1k5u n ASP 39 Cb 0.32 -1.31 0.88 0.00 2.34 0.00 0.00 41.12 43.35 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 7.69 0.00 -0.00 -0.67 3.07 -1.91 -2.72 115.11 120.56 1k5u h GLN 40 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1k5u h GLN 40 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 1k5u h GLN 40 CO 0.92 0.05 -0.07 0.72 0.09 0.00 0.00 178.83 180.54 1k5u n HIS 41 N -3.32 0.00 1.19 0.06 8.25 -1.26 -3.84 115.22 116.30 1k5u n HIS 41 Ca -0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.57 1k5u n HIS 41 Cb 0.20 -0.30 0.41 0.00 1.12 0.00 0.00 29.99 31.42 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 -1.25 0.00 -2.62 1.59 -5.35 -1.03 -3.21 119.36 107.49 1k5u n ILE 42 Ca 0.12 -0.07 -0.41 0.00 -0.27 0.00 0.00 62.75 62.12 1k5u n ILE 42 Cb 0.28 0.18 -0.03 0.00 -1.74 0.00 0.00 39.64 38.33 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 -2.67 3.20 0.01 6.28 -0.21 -1.25 -4.46 119.66 120.55 1k5u s GLN 43 Ca 0.21 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 55.15 1k5u s GLN 43 Cb 0.19 -4.26 -0.04 0.00 1.00 0.00 0.00 33.01 29.90 1k5u s GLN 43 CO 0.56 -2.07 0.08 -0.51 -2.12 0.00 0.00 175.29 171.23 1k5u s LEU 44 N 5.29 3.87 -0.26 2.90 1.43 -0.76 -1.60 118.68 129.55 1k5u s LEU 44 Ca 0.33 0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1k5u s LEU 44 Cb -0.10 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.84 1k5u s LEU 44 CO 0.12 0.25 -0.03 -1.58 0.23 0.00 0.00 176.35 175.35 1k5u s GLN 45 N -1.85 2.90 0.34 1.70 0.74 0.42 -0.06 119.66 123.84 1k5u s GLN 45 Ca 0.24 -0.95 -0.23 0.00 0.05 0.00 0.00 55.36 54.48 1k5u s GLN 45 Cb -0.12 -3.08 -0.10 0.00 1.10 0.00 0.00 33.01 30.81 1k5u s GLN 45 CO 0.15 -0.41 0.89 -0.51 -0.55 0.00 0.00 175.29 174.87 1k5u s LEU 46 N 1.37 4.21 -0.10 3.68 1.02 -1.26 -1.27 118.68 126.32 1k5u s LEU 46 Ca 0.01 1.68 -0.04 0.00 0.02 0.00 0.00 54.13 55.80 1k5u s LEU 46 Cb -0.17 -4.10 0.05 0.00 0.02 0.00 0.00 46.19 42.00 1k5u s LEU 46 CO -0.03 -0.14 0.22 -0.55 0.02 0.00 0.00 176.35 175.86 1k5u s SER 47 N -1.83 0.29 -0.50 2.29 0.15 0.27 -4.91 113.70 109.46 1k5u s SER 47 Ca 0.53 0.47 -0.28 0.00 0.70 0.00 0.00 55.95 57.37 1k5u s SER 47 Cb -0.15 0.46 0.03 0.00 -1.71 0.00 0.00 66.02 64.65 1k5u s SER 47 CO 0.20 -0.22 1.08 0.00 1.20 0.00 0.00 173.24 175.51 1k5u s ALA 48 N 2.00 3.14 0.00 5.45 0.00 -1.26 0.96 121.76 132.05 1k5u s ALA 48 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1k5u s ALA 48 Cb -0.12 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1k5u s ALA 48 CO -0.07 -2.31 0.00 -1.91 0.00 0.00 0.00 175.76 171.46 1k5u n GLU 49 N 7.79 0.00 -2.38 0.00 4.07 -0.10 -4.95 120.64 125.07 1k5u n GLU 49 Ca 0.09 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.96 1k5u n GLU 49 Cb 0.49 -0.14 0.13 0.00 -0.06 0.00 0.00 31.44 31.85 1k5u n GLU 49 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1k5u n SER 50 N 0.00 1.08 -4.72 4.31 7.64 -1.25 -4.96 113.62 115.73 1k5u n SER 50 Ca 0.00 -1.98 -0.42 0.00 1.01 0.00 0.00 58.87 57.48 1k5u n SER 50 Cb 0.00 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.48 1k5u n SER 50 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1k5u s VAL 51 N -3.14 2.41 0.00 0.44 1.01 -1.26 -2.03 120.40 117.83 1k5u s VAL 51 Ca 0.66 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1k5u s VAL 51 Cb -0.03 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1k5u s VAL 51 CO 0.44 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1k5u n GLY 52 N 3.87 2.20 3.73 4.51 0.00 -1.26 -4.96 105.19 113.28 1k5u n GLY 52 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 4.62 0.04 1.61 2.02 -0.86 -2.08 118.70 124.05 1k5u s GLU 53 Ca 0.00 1.33 -0.01 0.00 0.02 0.00 0.00 54.97 56.30 1k5u s GLU 53 Cb 0.00 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 1k5u s GLU 53 CO 0.00 0.21 -0.01 0.14 0.02 0.00 0.00 175.26 175.61 1k5u s VAL 54 N 0.09 0.17 0.05 2.63 -7.23 -0.54 -0.92 120.40 114.66 1k5u s VAL 54 Ca 0.45 -1.44 0.02 0.00 -1.81 0.00 0.00 61.98 59.20 1k5u s VAL 54 Cb -0.22 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 1k5u s VAL 54 CO 0.27 -0.80 0.08 -0.31 -0.31 0.00 0.00 175.10 174.04 1k5u s TYR 55 N -3.02 3.21 -0.34 2.82 1.51 0.27 -2.09 117.35 119.72 1k5u s TYR 55 Ca -0.01 0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.17 1k5u s TYR 55 Cb 0.01 -1.65 0.10 0.00 -0.11 0.00 0.00 41.96 40.31 1k5u s TYR 55 CO -0.07 0.53 0.09 0.42 -1.11 0.00 0.00 175.55 175.41 1k5u s ILE 56 N -1.33 1.58 -0.05 2.71 1.01 -1.26 -0.56 121.20 123.30 1k5u s ILE 56 Ca 0.27 -1.94 -0.02 0.00 0.00 0.00 0.00 60.65 58.96 1k5u s ILE 56 Cb -0.12 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1k5u s ILE 56 CO 0.20 -0.66 0.07 -0.75 0.00 0.00 0.00 174.94 173.80 1k5u s LYS 57 N 1.18 3.11 -0.50 2.79 2.20 -0.40 -0.73 119.74 127.40 1k5u s LYS 57 Ca 0.11 -0.39 -0.28 0.00 -0.36 0.00 0.00 55.97 55.05 1k5u s LYS 57 Cb -0.19 -2.90 0.03 0.00 -1.51 0.00 0.00 37.83 33.26 1k5u s LYS 57 CO -0.16 0.69 1.10 0.45 -0.36 0.00 0.00 175.35 177.07 1k5u s SER 58 N -1.33 6.55 0.26 1.43 0.15 0.24 0.16 113.70 121.16 1k5u s SER 58 Ca 0.18 0.27 -0.04 0.00 0.70 0.00 0.00 55.95 57.07 1k5u s SER 58 Cb -0.12 -2.52 0.35 0.00 -1.71 0.00 0.00 66.02 62.02 1k5u s SER 58 CO 0.08 -1.26 1.89 0.71 1.20 0.00 0.00 173.24 175.86 1k5u h THR 59 N 6.18 1.13 0.24 6.45 1.35 -1.61 1.41 112.91 128.06 1k5u h THR 59 Ca -0.24 -0.41 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 1k5u h THR 59 Cb 1.06 -0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 1k5u h THR 59 CO 1.12 0.22 -0.12 -0.08 -0.25 0.00 0.00 175.52 176.41 1k5u h GLU 60 N 1.20 -0.31 0.00 4.72 4.57 -1.82 -3.34 114.58 119.60 1k5u h GLU 60 Ca 0.41 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 1k5u h GLU 60 Cb 0.07 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1k5u h GLU 60 CO -0.15 -0.15 -1.18 0.25 -1.18 0.00 0.00 179.01 176.60 1k5u n THR 61 N -5.19 0.00 -0.83 0.32 -2.24 -1.09 -4.97 114.28 100.28 1k5u n THR 61 Ca -0.09 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1k5u n THR 61 Cb 0.18 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 1.44 0.78 3.76 3.38 0.00 0.48 -5.01 105.19 110.03 1k5u n GLY 62 Ca 0.01 0.00 -0.39 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 -0.17 4.72 -0.10 1.61 -0.21 -1.23 -4.72 119.66 119.55 1k5u s GLN 63 Ca 0.00 1.47 -0.07 0.00 0.02 0.00 0.00 55.36 56.78 1k5u s GLN 63 Cb 0.00 -3.08 -0.04 0.00 1.00 0.00 0.00 33.01 30.89 1k5u s GLN 63 CO 0.00 0.39 0.15 0.71 -2.12 0.00 0.00 175.29 174.42 1k5u s TYR 64 N -1.34 3.60 0.24 0.91 1.51 0.32 0.80 117.35 123.39 1k5u s TYR 64 Ca 0.45 0.53 -0.30 0.00 -1.01 0.00 0.00 57.07 56.74 1k5u s TYR 64 Cb -0.24 -1.94 -0.09 0.00 -0.11 0.00 0.00 41.96 39.58 1k5u s TYR 64 CO 0.30 0.73 1.14 -1.17 -1.11 0.00 0.00 175.55 175.44 1k5u s LEU 65 N -1.13 4.50 0.09 -1.29 2.96 0.10 0.09 118.68 123.99 1k5u s LEU 65 Ca 0.17 2.26 -0.10 0.00 -0.22 0.00 0.00 54.13 56.23 1k5u s LEU 65 Cb -0.12 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1k5u s LEU 65 CO 0.06 -0.25 0.23 0.00 -1.32 0.00 0.00 176.35 175.07 1k5u s ALA 66 N -0.67 -0.35 -0.15 5.97 0.00 0.27 -4.26 121.76 122.57 1k5u s ALA 66 Ca 0.48 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 1k5u s ALA 66 Cb -0.32 0.51 0.04 0.00 0.00 0.00 0.00 23.12 23.34 1k5u s ALA 66 CO 0.39 -0.52 -0.05 1.41 0.00 0.00 0.00 175.76 176.99 1k5u s MET 67 N -3.79 1.40 1.17 0.00 1.75 -1.00 0.25 119.30 119.07 1k5u s MET 67 Ca 0.04 -0.40 -0.18 0.00 -1.25 0.00 0.00 55.69 53.90 1k5u s MET 67 Cb 0.04 -1.83 0.27 0.00 2.84 0.00 0.00 34.83 36.15 1k5u s MET 67 CO -0.11 -0.38 1.10 0.16 -0.65 0.00 0.00 175.02 175.14 1k5u s ASP 68 N 1.68 1.21 0.54 1.11 1.47 0.10 -4.84 116.67 117.95 1k5u s ASP 68 Ca 0.02 0.74 0.36 0.00 1.18 0.00 0.00 52.55 54.86 1k5u s ASP 68 Cb -0.14 -1.08 1.96 0.00 -0.34 0.00 0.00 42.92 43.32 1k5u s ASP 68 CO -0.08 -3.95 2.11 0.00 0.68 0.00 0.00 175.17 173.92 1k5u h THR 69 N -2.46 0.00 -0.64 2.11 1.03 -2.01 -0.90 112.91 110.04 1k5u h THR 69 Ca -0.47 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.93 1k5u h THR 69 Cb 1.30 0.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 1k5u h THR 69 CO 0.39 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.37 1k5u n ASP 70 N -2.77 3.57 0.00 0.00 8.00 -1.26 -4.93 116.55 119.16 1k5u n ASP 70 Ca -0.02 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.48 1k5u n ASP 70 Cb 0.06 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1k5u n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k5u n GLY 71 N 1.56 0.48 3.72 0.44 0.00 -0.34 -4.61 105.19 106.44 1k5u n GLY 71 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1k5u n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k5u s LEU 72 N 0.00 4.29 0.27 0.99 1.43 -1.26 0.37 118.68 124.78 1k5u s LEU 72 Ca 0.00 0.97 -0.28 0.00 -1.03 0.00 0.00 54.13 53.79 1k5u s LEU 72 Cb 0.00 -2.86 -0.09 0.00 0.03 0.00 0.00 46.19 43.27 1k5u s LEU 72 CO 0.00 -0.05 0.95 -0.76 0.23 0.00 0.00 176.35 176.72 1k5u s LEU 73 N 0.71 4.52 0.21 1.79 1.43 -1.26 0.03 118.68 126.12 1k5u s LEU 73 Ca 0.31 1.92 -0.16 0.00 -1.03 0.00 0.00 54.13 55.16 1k5u s LEU 73 Cb -0.16 -3.77 0.02 0.00 0.03 0.00 0.00 46.19 42.30 1k5u s LEU 73 CO 0.14 0.06 0.52 -0.72 0.23 0.00 0.00 176.35 176.57 1k5u s TYR 74 N -1.35 0.01 -0.31 0.29 1.13 0.68 -4.48 117.35 113.31 1k5u s TYR 74 Ca 0.45 -0.37 -0.15 0.00 -1.41 0.00 0.00 57.07 55.59 1k5u s TYR 74 Cb -0.23 0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 40.96 1k5u s TYR 74 CO 0.29 -0.96 0.35 0.20 -2.51 0.00 0.00 175.55 172.92 1k5u s GLY 75 N -2.92 1.90 -0.22 5.49 0.00 0.07 0.96 107.32 112.60 1k5u s GLY 75 Ca 0.13 -1.05 -0.11 0.00 0.00 0.00 0.00 44.72 43.69 1k5u s GLY 75 CO 0.01 0.95 0.16 -0.45 0.00 0.00 0.00 173.10 173.77 1k5u s SER 76 N 1.71 6.16 0.53 1.64 0.15 0.11 -4.72 113.70 119.28 1k5u s SER 76 Ca 0.12 0.17 0.35 0.00 0.70 0.00 0.00 55.95 57.30 1k5u s SER 76 Cb -0.16 -2.11 1.75 0.00 -1.71 0.00 0.00 66.02 63.79 1k5u s SER 76 CO 0.11 0.10 2.07 1.56 1.20 0.00 0.00 173.24 178.27 1k5u h GLN 77 N 7.24 0.00 -3.83 5.44 1.08 -1.88 0.93 115.11 124.09 1k5u h GLN 77 Ca -0.39 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.62 1k5u h GLN 77 Cb 1.16 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 28.36 1k5u h GLN 77 CO 0.69 0.00 -0.68 0.95 -0.95 0.00 0.00 178.83 178.84 1k5u s THR 78 N -3.81 0.07 0.69 -0.54 -4.23 -1.26 -4.81 115.64 101.75 1k5u s THR 78 Ca -0.02 -0.58 -0.17 0.00 -1.18 0.00 0.00 61.69 59.75 1k5u s THR 78 Cb 0.10 -0.20 -0.02 0.00 1.34 0.00 0.00 72.50 73.72 1k5u s THR 78 CO 0.41 -0.32 0.84 -0.81 -0.54 0.00 0.00 174.62 174.21 1k5u n PRO 79 N 2.08 0.54 -3.57 3.99 -0.04 -1.26 -4.88 135.00 131.87 1k5u n PRO 79 Ca -0.20 0.23 -0.06 0.00 -0.04 0.00 0.00 63.50 63.44 1k5u n PRO 79 Cb 0.57 -2.09 -0.02 0.00 -0.04 0.00 0.00 33.50 31.91 1k5u n PRO 79 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1k5u s ASN 80 N -1.49 -0.21 0.60 3.54 2.20 -1.26 -5.01 114.94 113.30 1k5u s ASN 80 Ca 0.72 0.01 0.30 0.00 -0.94 0.00 0.00 52.86 52.94 1k5u s ASN 80 Cb -0.37 0.22 1.23 0.00 -2.00 0.00 0.00 41.25 40.34 1k5u s ASN 80 CO 0.51 -0.36 1.59 -0.08 -2.94 0.00 0.00 177.10 175.82 1k5u h GLU 81 N 2.01 0.00 0.00 3.55 4.81 -1.98 1.49 114.58 124.46 1k5u h GLU 81 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1k5u h GLU 81 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1k5u h GLU 81 CO 0.25 0.00 -0.15 0.39 -0.73 0.00 0.00 179.01 178.78 1k5u n GLU 82 N -3.51 0.16 0.13 1.92 1.02 -1.26 -3.53 120.64 115.57 1k5u n GLU 82 Ca 0.19 0.11 0.12 0.00 -0.02 0.00 0.00 57.16 57.55 1k5u n GLU 82 Cb 1.20 -1.66 0.15 0.00 -0.02 0.00 0.00 31.44 31.11 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 -5.29 4.57 0.01 0.00 2.01 -1.23 -4.44 118.68 114.32 1k5u s LEU 84 Ca 0.05 2.14 0.00 0.00 0.01 0.00 0.00 54.13 56.34 1k5u s LEU 84 Cb 0.09 -3.62 -0.01 0.00 0.01 0.00 0.00 46.19 42.66 1k5u s LEU 84 CO 0.71 -0.07 -0.02 -0.36 1.01 0.00 0.00 176.35 177.61 1k5u s PHE 85 N -0.99 0.21 -0.42 0.29 0.40 -0.89 -2.36 117.98 114.22 1k5u s PHE 85 Ca 0.44 -0.29 -0.21 0.00 -0.60 0.00 0.00 56.93 56.28 1k5u s PHE 85 Cb -0.30 -0.14 0.02 0.00 0.51 0.00 0.00 43.02 43.11 1k5u s PHE 85 CO 0.37 -0.09 0.64 -0.51 0.70 0.00 0.00 175.22 176.33 1k5u s LEU 86 N -0.79 4.43 0.00 -0.37 1.43 0.32 -1.47 118.68 122.23 1k5u s LEU 86 Ca -0.08 -0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 52.58 1k5u s LEU 86 Cb -0.05 -2.74 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 1k5u s LEU 86 CO -0.00 -0.73 0.68 -0.70 0.23 0.00 0.00 176.35 175.83 1k5u s GLU 87 N 2.79 4.41 -0.05 1.70 2.12 -0.88 -1.14 118.70 127.65 1k5u s GLU 87 Ca 0.23 0.89 -0.02 0.00 0.36 0.00 0.00 54.97 56.43 1k5u s GLU 87 Cb -0.14 -3.37 0.03 0.00 0.26 0.00 0.00 34.13 30.91 1k5u s GLU 87 CO 0.18 0.27 0.12 1.03 -0.54 0.00 0.00 175.26 176.32 1k5u s ARG 88 N 0.07 0.07 -0.00 4.30 1.81 0.06 -4.90 118.95 120.35 1k5u s ARG 88 Ca 0.35 0.31 -0.28 0.00 -1.72 0.00 0.00 55.73 54.39 1k5u s ARG 88 Cb -0.19 -0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.11 1k5u s ARG 88 CO 0.19 -0.15 0.90 -1.17 -0.68 0.00 0.00 175.30 174.40 1k5u s LEU 89 N 1.02 4.38 0.37 2.53 2.96 -1.26 -0.71 118.68 127.97 1k5u s LEU 89 Ca -0.08 1.55 -0.03 0.00 -0.22 0.00 0.00 54.13 55.35 1k5u s LEU 89 Cb -0.11 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1k5u s LEU 89 CO -0.05 -0.19 0.63 -1.61 -1.32 0.00 0.00 176.35 173.82 1k5u s GLU 90 N 0.79 3.56 0.29 1.98 0.41 1.35 -4.90 118.70 122.18 1k5u s GLU 90 Ca 0.47 -0.03 0.05 0.00 -0.41 0.00 0.00 54.97 55.05 1k5u s GLU 90 Cb -0.20 -2.56 0.72 0.00 -1.78 0.00 0.00 34.13 30.31 1k5u s GLU 90 CO 0.26 0.05 1.75 1.05 -0.49 0.00 0.00 175.26 177.87 1k5u h GLU 91 N 0.90 0.60 -0.33 1.61 9.09 -1.96 1.76 114.58 126.25 1k5u h GLU 91 Ca -0.48 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.89 1k5u h GLU 91 Cb 1.20 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 1k5u h GLU 91 CO 0.63 0.40 0.00 0.27 0.05 0.00 0.00 179.01 180.36 1k5u n ASN 92 N -4.88 0.33 0.00 3.06 6.94 -1.26 -4.77 115.26 114.68 1k5u n ASN 92 Ca 0.22 -1.56 0.00 0.00 -0.02 0.00 0.00 54.58 53.22 1k5u n ASN 92 Cb 0.59 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1k5u n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k5u n GLY 93 N 0.21 0.38 3.84 4.83 0.00 0.60 -4.97 105.19 110.07 1k5u n GLY 93 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.95 3.63 0.26 1.61 2.02 -1.19 -4.63 117.35 117.10 1k5u s TYR 94 Ca 0.00 1.09 -0.04 0.00 -0.37 0.00 0.00 57.07 57.75 1k5u s TYR 94 Cb 0.00 -2.39 -0.05 0.00 -0.40 0.00 0.00 41.96 39.12 1k5u s TYR 94 CO 0.00 0.45 0.51 -0.80 -1.57 0.00 0.00 175.55 174.14 1k5u s ASN 95 N -1.63 6.44 0.03 2.29 0.02 -0.56 0.41 114.94 121.94 1k5u s ASN 95 Ca 0.37 0.65 0.02 0.00 -1.02 0.00 0.00 52.86 52.88 1k5u s ASN 95 Cb -0.16 -2.12 -0.02 0.00 0.02 0.00 0.00 41.25 38.98 1k5u s ASN 95 CO 0.19 -0.14 -0.07 0.42 0.02 0.00 0.00 177.10 177.52 1k5u s THR 96 N -2.00 0.46 -0.19 1.60 -4.23 0.12 -2.07 115.64 109.32 1k5u s THR 96 Ca 0.43 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1k5u s THR 96 Cb -0.11 -0.52 0.04 0.00 1.34 0.00 0.00 72.50 73.25 1k5u s THR 96 CO 0.29 -0.35 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.64 1k5u s TYR 97 N -1.25 2.09 -0.12 3.99 1.51 -1.25 -0.76 117.35 121.54 1k5u s TYR 97 Ca -0.10 -1.37 -0.03 0.00 -1.01 0.00 0.00 57.07 54.56 1k5u s TYR 97 Cb -0.09 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.24 1k5u s TYR 97 CO 0.00 -0.69 -0.02 0.42 -1.11 0.00 0.00 175.55 174.16 1k5u s ILE 98 N 1.50 4.11 0.26 2.71 1.09 -0.29 -1.36 121.20 129.23 1k5u s ILE 98 Ca -0.01 -0.30 -0.31 0.00 -1.10 0.00 0.00 60.65 58.94 1k5u s ILE 98 Cb -0.16 -2.77 -0.12 0.00 -1.06 0.00 0.00 42.46 38.35 1k5u s ILE 98 CO -0.08 0.54 1.55 -0.24 -0.10 0.00 0.00 174.94 176.61 1k5u n SER 99 N 2.90 3.51 -0.01 3.58 2.88 -0.32 0.12 113.62 126.27 1k5u n SER 99 Ca -0.18 1.13 -0.16 0.00 -1.33 0.00 0.00 58.87 58.34 1k5u n SER 99 Cb 0.53 -1.53 -0.11 0.00 -0.75 0.00 0.00 64.21 62.34 1k5u n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1k5u h LYS 100 N 4.85 0.27 -0.92 -1.46 3.64 -1.78 -0.42 116.57 120.76 1k5u h LYS 100 Ca -0.46 -0.29 0.09 0.00 -1.27 0.00 0.00 60.65 58.72 1k5u h LYS 100 Cb 1.24 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 33.07 1k5u h LYS 100 CO 0.80 0.99 0.57 -0.22 -2.27 0.00 0.00 179.45 179.32 1k5u h LYS 101 N -0.33 0.94 -0.69 1.90 3.64 -1.80 -2.32 116.57 117.91 1k5u h LYS 101 Ca -0.05 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.00 1k5u h LYS 101 Cb 1.13 -0.21 -0.17 0.00 -0.41 0.00 0.00 32.23 32.57 1k5u h LYS 101 CO 0.08 0.62 0.29 0.72 -2.27 0.00 0.00 179.45 178.89 1k5u n HIS 102 N -4.63 2.21 -0.22 1.91 8.25 -1.23 -4.73 115.22 116.78 1k5u n HIS 102 Ca 0.15 -1.45 0.00 0.00 -0.26 0.00 0.00 57.72 56.16 1k5u n HIS 102 Cb 0.25 -0.69 0.12 0.00 1.12 0.00 0.00 29.99 30.79 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 1.74 0.86 -0.41 -1.41 0.00 -0.47 -2.12 119.26 117.44 1k5u h ALA 103 Ca 0.34 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.44 1k5u h ALA 103 Cb 2.27 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 20.06 1k5u h ALA 103 CO 0.73 -0.13 0.30 1.05 0.00 0.00 0.00 179.25 181.20 1k5u h GLU 104 N 0.49 0.00 -0.01 0.00 9.09 -1.85 0.80 114.58 123.10 1k5u h GLU 104 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.73 1k5u h GLU 104 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1k5u h GLU 104 CO -0.28 0.00 -0.01 1.63 0.05 0.00 0.00 179.01 180.40 1k5u n LYS 105 N -4.40 1.50 -3.75 1.06 5.02 -0.80 -4.95 118.16 111.84 1k5u n LYS 105 Ca 0.07 -0.75 -0.27 0.00 -2.02 0.00 0.00 58.31 55.34 1k5u n LYS 105 Cb 0.49 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 34.07 1k5u n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1k5u n ASN 106 N -0.09 -5.66 -4.59 4.39 4.13 0.27 -4.93 115.26 108.78 1k5u n ASN 106 Ca 0.20 -0.65 -0.43 0.00 1.68 0.00 0.00 54.58 55.38 1k5u n ASN 106 Cb 0.30 -4.48 -0.03 0.00 -1.54 0.00 0.00 39.78 34.03 1k5u n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1k5u s TRP 107 N -3.31 2.94 0.30 3.10 0.52 -1.23 -4.64 118.94 116.64 1k5u s TRP 107 Ca 0.63 0.62 0.08 0.00 0.02 0.00 0.00 56.10 57.44 1k5u s TRP 107 Cb -0.30 -4.00 -0.03 0.00 -1.15 0.00 0.00 33.47 27.99 1k5u s TRP 107 CO 0.78 -1.06 0.23 -0.06 0.02 0.00 0.00 176.95 176.86 1k5u s PHE 108 N 3.87 2.94 -0.01 -1.98 0.40 -1.26 -1.17 117.98 120.77 1k5u s PHE 108 Ca 0.41 -0.24 -0.27 0.00 -0.60 0.00 0.00 56.93 56.22 1k5u s PHE 108 Cb -0.10 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.78 1k5u s PHE 108 CO 0.25 0.33 0.87 0.08 0.70 0.00 0.00 175.22 177.45 1k5u s VAL 109 N -2.26 4.90 0.11 -0.44 1.01 -0.46 -4.59 120.40 118.67 1k5u s VAL 109 Ca 0.37 1.82 -0.23 0.00 0.00 0.00 0.00 61.98 63.95 1k5u s VAL 109 Cb -0.06 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.17 1k5u s VAL 109 CO 0.25 0.21 0.57 -0.83 0.00 0.00 0.00 175.10 175.30 1k5u s GLY 110 N 0.82 -0.54 -0.05 4.51 0.00 -1.26 -4.37 107.32 106.43 1k5u s GLY 110 Ca 0.46 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.74 1k5u s GLY 110 CO 0.24 0.22 -0.13 1.08 0.00 0.00 0.00 173.10 174.51 1k5u s LEU 111 N -2.44 1.74 0.84 0.66 1.43 -0.69 -0.81 118.68 119.42 1k5u s LEU 111 Ca -0.01 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 1k5u s LEU 111 Cb -0.00 -0.78 0.10 0.00 0.03 0.00 0.00 46.19 45.53 1k5u s LEU 111 CO -0.08 0.07 1.09 -0.54 0.23 0.00 0.00 176.35 177.12 1k5u s LYS 112 N 0.38 1.69 0.50 1.70 1.02 0.45 -4.47 119.74 121.00 1k5u s LYS 112 Ca -0.09 0.83 0.33 0.00 0.02 0.00 0.00 55.97 57.06 1k5u s LYS 112 Cb -0.13 -1.86 1.59 0.00 -0.52 0.00 0.00 37.83 36.91 1k5u s LYS 112 CO 0.02 -1.95 2.00 0.87 -0.92 0.00 0.00 175.35 175.38 1k5u h LYS 113 N -1.33 0.00 -0.15 1.68 1.57 -1.87 -1.51 116.57 114.95 1k5u h LYS 113 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1k5u h LYS 113 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1k5u h LYS 113 CO 0.55 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.70 1k5u n ASN 114 N -2.79 1.42 0.00 0.86 0.23 -1.26 -4.59 115.26 109.12 1k5u n ASN 114 Ca -0.01 -1.68 0.00 0.00 -0.53 0.00 0.00 54.58 52.36 1k5u n ASN 114 Cb 0.18 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1k5u n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k5u n GLY 115 N 1.07 1.08 3.84 4.83 0.00 -0.57 -5.01 105.19 110.44 1k5u n GLY 115 Ca 0.15 0.00 -0.33 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 -2.90 6.81 0.42 1.61 0.01 -1.26 -1.11 113.70 117.28 1k5u s SER 116 Ca 0.00 1.37 -0.23 0.00 1.31 0.00 0.00 55.95 58.41 1k5u s SER 116 Cb 0.00 -2.41 -0.09 0.00 0.21 0.00 0.00 66.02 63.73 1k5u s SER 116 CO 0.00 -0.24 1.01 0.00 0.41 0.00 0.00 173.24 174.43 1k5u s LYS 118 N -2.79 4.09 0.22 0.00 -0.14 0.01 -4.75 119.74 116.37 1k5u s LYS 118 Ca 0.60 0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 55.60 1k5u s LYS 118 Cb -0.17 -2.76 -0.08 0.00 -1.68 0.00 0.00 37.83 33.13 1k5u s LYS 118 CO 0.22 0.35 1.05 0.50 -0.76 0.00 0.00 175.35 176.71 1k5u s ARG 119 N -2.29 4.68 0.20 1.68 3.52 -1.26 -4.65 118.95 120.83 1k5u s ARG 119 Ca 0.45 1.67 -0.20 0.00 -0.13 0.00 0.00 55.73 57.51 1k5u s ARG 119 Cb -0.14 -3.26 0.16 0.00 -1.56 0.00 0.00 34.95 30.14 1k5u s ARG 119 CO 0.20 0.23 1.56 0.78 -0.81 0.00 0.00 175.30 177.26 1k5u h GLY 120 N 4.55 -0.11 1.89 8.12 0.00 -0.34 0.82 103.07 117.99 1k5u h GLY 120 Ca -0.45 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1k5u h GLY 120 CO 0.70 -0.18 0.05 -2.55 0.00 0.00 0.00 176.54 174.56 1k5u h PRO 121 N -0.08 0.00 -0.06 4.80 0.11 -1.86 -1.18 132.00 133.73 1k5u h PRO 121 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1k5u h PRO 121 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1k5u h PRO 121 CO -0.85 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.48 1k5u n ARG 122 N -3.30 1.37 -3.60 1.05 5.12 0.28 -4.88 116.66 112.70 1k5u n ARG 122 Ca -0.02 -0.55 -0.20 0.00 -1.93 0.00 0.00 57.85 55.14 1k5u n ARG 122 Cb 0.13 -1.40 -0.02 0.00 -1.16 0.00 0.00 32.46 30.01 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 -1.93 3.80 -0.20 0.55 -4.23 -0.44 -4.92 115.64 108.27 1k5u s THR 123 Ca 0.35 -1.15 -0.30 0.00 -1.18 0.00 0.00 61.69 59.41 1k5u s THR 123 Cb 0.18 -3.30 0.15 0.00 1.34 0.00 0.00 72.50 70.86 1k5u s THR 123 CO 0.28 -0.16 1.11 -1.38 -0.54 0.00 0.00 174.62 173.94 1k5u s HIS 124 N -2.24 -0.26 0.29 3.99 -3.43 -1.26 -4.86 115.29 107.52 1k5u s HIS 124 Ca 0.44 0.44 -0.29 0.00 -0.80 0.00 0.00 55.06 54.85 1k5u s HIS 124 Cb -0.08 0.47 -0.13 0.00 -1.43 0.00 0.00 32.58 31.41 1k5u s HIS 124 CO 0.29 -0.24 1.29 0.98 -2.00 0.00 0.00 174.74 175.06 1k5u n TYR 125 N 0.65 2.07 0.00 0.38 9.36 -1.26 -1.37 117.16 126.99 1k5u n TYR 125 Ca -0.07 0.53 0.00 0.00 3.32 0.00 0.00 57.90 61.68 1k5u n TYR 125 Cb 0.58 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.89 1k5u n TYR 125 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1k5u n GLY 126 N 1.41 1.83 3.76 2.98 0.00 -1.26 -5.03 105.19 108.88 1k5u n GLY 126 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1k5u n GLY 126 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k5u s GLN 127 N -0.59 4.66 0.24 1.61 0.74 -0.47 -4.94 119.66 120.92 1k5u s GLN 127 Ca 0.00 1.74 0.02 0.00 0.05 0.00 0.00 55.36 57.17 1k5u s GLN 127 Cb 0.00 -3.18 0.29 0.00 1.10 0.00 0.00 33.01 31.22 1k5u s GLN 127 CO 0.00 0.25 1.61 0.87 -0.55 0.00 0.00 175.29 177.48 1k5u h LYS 128 N 3.82 0.41 -0.41 1.67 1.57 -1.96 -3.06 116.57 118.61 1k5u h LYS 128 Ca -0.46 -0.22 0.12 0.00 -1.87 0.00 0.00 60.65 58.22 1k5u h LYS 128 Cb 1.21 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1k5u h LYS 128 CO 0.67 0.78 0.39 0.00 -0.57 0.00 0.00 179.45 180.72 1k5u h ALA 129 N 1.19 2.17 -0.01 3.86 0.00 -1.92 0.12 119.26 124.67 1k5u h ALA 129 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k5u h ALA 129 Cb 0.92 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1k5u h ALA 129 CO 0.08 -0.60 -0.07 0.44 0.00 0.00 0.00 179.25 179.10 1k5u n ILE 130 N -3.92 0.00 -2.93 0.00 -5.35 -1.15 -1.71 119.36 104.30 1k5u n ILE 130 Ca 0.07 -0.18 -0.43 0.00 -0.27 0.00 0.00 62.75 61.94 1k5u n ILE 130 Cb 0.57 0.32 -0.05 0.00 -1.74 0.00 0.00 39.64 38.73 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 -2.16 4.26 0.18 7.28 1.43 0.43 -4.53 118.68 125.57 1k5u s LEU 131 Ca 0.35 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.25 1k5u s LEU 131 Cb 0.21 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1k5u s LEU 131 CO 0.39 -1.04 -0.03 -0.36 0.23 0.00 0.00 176.35 175.55 1k5u s PHE 132 N 3.49 2.78 -0.21 0.29 0.40 -0.88 -2.48 117.98 121.36 1k5u s PHE 132 Ca 0.29 -0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.45 1k5u s PHE 132 Cb -0.13 -1.35 0.06 0.00 0.51 0.00 0.00 43.02 42.11 1k5u s PHE 132 CO 0.20 0.52 -0.02 -0.51 0.70 0.00 0.00 175.22 176.11 1k5u s LEU 133 N -2.91 1.90 -0.55 -0.37 1.43 0.67 -1.49 118.68 117.36 1k5u s LEU 133 Ca 0.27 -0.95 -0.28 0.00 -1.03 0.00 0.00 54.13 52.14 1k5u s LEU 133 Cb -0.09 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.21 1k5u s LEU 133 CO 0.17 -0.25 1.52 -2.16 0.23 0.00 0.00 176.35 175.86 1k5u s PRO 134 N 1.60 3.19 0.03 1.29 0.05 -1.26 -0.43 135.00 139.47 1k5u s PRO 134 Ca -0.03 0.55 -0.11 0.00 0.05 0.00 0.00 61.00 61.46 1k5u s PRO 134 Cb -0.18 -4.17 -0.05 0.00 0.05 0.00 0.00 34.50 30.15 1k5u s PRO 134 CO -0.07 -2.06 0.36 -0.51 0.05 0.00 0.00 177.00 174.77 1k5u s LEU 135 N 6.60 4.40 0.83 -3.56 1.43 0.12 -4.84 118.68 123.66 1k5u s LEU 135 Ca 0.57 0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 54.34 1k5u s LEU 135 Cb -0.12 -2.73 0.09 0.00 0.03 0.00 0.00 46.19 43.46 1k5u s LEU 135 CO 0.25 0.25 1.09 -2.16 0.23 0.00 0.00 176.35 176.01 1k5u s PRO 136 N -1.55 1.77 0.00 1.29 0.04 -1.26 0.75 135.00 136.03 1k5u s PRO 136 Ca 0.28 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1k5u s PRO 136 Cb -0.15 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1k5u s PRO 136 CO 0.15 -1.86 0.43 1.55 0.04 0.00 0.00 177.00 177.31 1k5u n VAL 137 N -3.61 0.35 0.00 -0.36 3.14 -1.26 -4.63 118.33 111.96 1k5u n VAL 137 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 1k5u n VAL 137 Cb 0.56 -0.60 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 1k5u n VAL 137 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17