#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5v s PRO 11 N 0.00 1.08 0.36 1.97 0.02 -1.26 -5.06 135.00 132.10 1k5v s PRO 11 Ca 0.00 -0.67 -0.08 0.00 0.02 0.00 0.00 61.00 60.27 1k5v s PRO 11 Cb 0.00 -2.04 0.02 0.00 0.02 0.00 0.00 34.50 32.51 1k5v s PRO 11 CO 0.00 -2.02 0.61 0.15 -0.33 0.00 0.00 177.00 175.41 1k5v s LYS 12 N -5.59 2.05 0.27 5.54 1.02 0.67 -4.92 119.74 118.78 1k5v s LYS 12 Ca 0.71 -1.61 0.09 0.00 0.02 0.00 0.00 55.97 55.18 1k5v s LYS 12 Cb -0.05 0.52 -0.04 0.00 -0.52 0.00 0.00 37.83 37.74 1k5v s LYS 12 CO 0.50 -0.90 0.02 -0.51 -0.92 0.00 0.00 175.35 173.53 1k5v s LEU 13 N -3.16 3.24 -0.31 3.17 1.43 -0.93 0.57 118.68 122.68 1k5v s LEU 13 Ca 0.24 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1k5v s LEU 13 Cb -0.02 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.54 1k5v s LEU 13 CO 0.16 -0.02 0.07 -0.76 0.23 0.00 0.00 176.35 176.03 1k5v s LEU 14 N -3.69 2.99 -0.47 1.79 1.43 -1.26 -1.69 118.68 117.78 1k5v s LEU 14 Ca 0.32 -1.73 -0.18 0.00 -1.03 0.00 0.00 54.13 51.50 1k5v s LEU 14 Cb -0.06 -1.11 0.05 0.00 0.03 0.00 0.00 46.19 45.09 1k5v s LEU 14 CO 0.20 -0.39 0.54 -0.47 0.23 0.00 0.00 176.35 176.47 1k5v s TYR 15 N 1.39 3.11 -0.14 0.29 6.14 -0.77 -1.00 117.35 126.38 1k5v s TYR 15 Ca 0.09 -0.49 -0.29 0.00 0.64 0.00 0.00 57.07 57.01 1k5v s TYR 15 Cb -0.18 -3.27 -0.02 0.00 0.42 0.00 0.00 41.96 38.91 1k5v s TYR 15 CO -0.18 -0.88 1.30 0.00 0.64 0.00 0.00 175.55 176.42 1k5v h SER 17 N 8.24 0.80 0.00 0.00 4.64 -1.75 -1.06 113.55 124.42 1k5v h SER 17 Ca -0.29 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1k5v h SER 17 Cb 1.12 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1k5v h SER 17 CO 0.96 0.40 0.00 -3.20 -0.87 0.00 0.00 176.83 174.11 1k5v n ASN 18 N -4.70 0.00 0.00 4.97 5.15 -1.25 -3.38 115.26 116.05 1k5v n ASN 18 Ca 0.18 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.27 1k5v n ASN 18 Cb 0.39 0.00 0.59 0.00 -0.53 0.00 0.00 39.78 40.23 1k5v n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k5v n GLY 19 N 0.00 -0.92 1.96 8.20 0.00 -1.26 -4.88 105.19 108.29 1k5v n GLY 19 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 1k5v n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k5v n GLY 20 N 0.53 0.60 3.79 -0.02 0.00 -0.41 -4.96 105.19 104.72 1k5v n GLY 20 Ca 0.13 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1k5v n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k5v s HIS 21 N -2.98 2.75 -0.18 1.61 3.76 -1.15 -4.69 115.29 114.40 1k5v s HIS 21 Ca 0.11 -0.40 -0.06 0.00 -0.15 0.00 0.00 55.06 54.57 1k5v s HIS 21 Cb -0.05 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 1k5v s HIS 21 CO 0.14 0.21 0.03 -0.06 -0.85 0.00 0.00 174.74 174.21 1k5v s PHE 22 N -2.42 3.14 0.18 1.40 0.08 0.48 0.02 117.98 120.87 1k5v s PHE 22 Ca 0.40 -0.14 -0.33 0.00 0.12 0.00 0.00 56.93 56.98 1k5v s PHE 22 Cb -0.03 -2.06 -0.14 0.00 -0.57 0.00 0.00 43.02 40.22 1k5v s PHE 22 CO 0.24 0.00 1.55 -0.11 -0.10 0.00 0.00 175.22 176.80 1k5v n LEU 23 N 3.77 3.18 -3.91 -0.37 7.94 -0.17 -1.90 117.00 125.55 1k5v n LEU 23 Ca -0.17 1.10 -0.15 0.00 -1.11 0.00 0.00 56.01 55.68 1k5v n LEU 23 Cb 0.52 -1.44 -0.15 0.00 0.53 0.00 0.00 43.42 42.89 1k5v n LEU 23 CO 0.34 -0.29 -0.38 -0.60 -1.11 0.00 0.00 177.39 175.34 1k5v s ARG 24 N 0.59 0.27 -0.35 1.96 3.52 -0.29 -4.45 118.95 120.20 1k5v s ARG 24 Ca 0.76 -0.08 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 1k5v s ARG 24 Cb -0.66 -0.29 0.09 0.00 -1.56 0.00 0.00 34.95 32.53 1k5v s ARG 24 CO 0.40 0.03 0.08 0.42 -0.81 0.00 0.00 175.30 175.43 1k5v s ILE 25 N 0.12 2.71 0.73 4.11 1.01 -0.97 -1.72 121.20 127.18 1k5v s ILE 25 Ca -0.01 -2.06 -0.11 0.00 0.00 0.00 0.00 60.65 58.47 1k5v s ILE 25 Cb -0.03 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 39.61 1k5v s ILE 25 CO -0.00 -0.52 1.07 -0.76 0.00 0.00 0.00 174.94 174.73 1k5v s LEU 26 N 1.05 3.06 0.56 2.97 1.43 0.78 -4.83 118.68 123.70 1k5v s LEU 26 Ca 0.06 1.65 0.31 0.00 -1.03 0.00 0.00 54.13 55.12 1k5v s LEU 26 Cb -0.20 -4.45 1.70 0.00 0.03 0.00 0.00 46.19 43.26 1k5v s LEU 26 CO -0.06 -1.65 2.16 1.55 0.23 0.00 0.00 176.35 178.58 1k5v h PRO 27 N -0.86 0.00 -0.00 1.29 0.14 -1.99 -1.45 132.00 129.12 1k5v h PRO 27 Ca -0.44 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.70 1k5v h PRO 27 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.36 1k5v h PRO 27 CO 0.55 0.06 0.00 -0.40 0.14 0.00 0.00 178.00 178.36 1k5v n ASP 28 N -3.57 0.00 0.00 1.44 5.75 -1.26 -4.84 116.55 114.07 1k5v n ASP 28 Ca -0.02 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 1k5v n ASP 28 Cb 0.18 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1k5v n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k5v n GLY 29 N 0.98 0.68 3.78 6.12 0.00 -0.55 -5.00 105.19 111.20 1k5v n GLY 29 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1k5v n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k5v s THR 30 N -2.35 3.36 -0.11 2.61 2.01 -1.25 -0.97 115.64 118.94 1k5v s THR 30 Ca 0.00 0.98 0.02 0.00 0.31 0.00 0.00 61.69 63.00 1k5v s THR 30 Cb 0.00 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 69.04 1k5v s THR 30 CO 0.00 -0.05 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.01 1k5v s VAL 31 N -1.65 1.64 0.00 3.82 1.01 -1.26 -0.15 120.40 123.80 1k5v s VAL 31 Ca 0.64 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1k5v s VAL 31 Cb -0.25 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1k5v s VAL 31 CO 0.30 0.47 0.00 -0.90 0.00 0.00 0.00 175.10 174.97 1k5v n ASP 32 N 4.00 0.00 -4.34 3.32 5.75 -0.70 -4.19 116.55 120.38 1k5v n ASP 32 Ca -0.20 -0.11 -0.21 0.00 -0.01 0.00 0.00 54.79 54.26 1k5v n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 1k5v n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1k5v s GLY 33 N -0.11 1.43 0.10 6.12 0.00 0.32 -1.14 107.32 114.04 1k5v s GLY 33 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1k5v s GLY 33 CO 0.00 -1.61 -0.02 -1.08 0.00 0.00 0.00 173.10 170.39 1k5v s THR 34 N -2.25 0.41 -0.02 0.90 -1.32 -0.80 -4.80 115.64 107.76 1k5v s THR 34 Ca 0.18 -1.89 0.07 0.00 -1.21 0.00 0.00 61.69 58.84 1k5v s THR 34 Cb -0.05 -1.76 -0.11 0.00 -1.51 0.00 0.00 72.50 69.07 1k5v s THR 34 CO 0.07 -0.78 0.16 0.54 -2.21 0.00 0.00 174.62 172.40 1k5v n ARG 35 N -0.03 0.33 -2.44 7.08 1.74 -1.26 0.18 116.66 122.26 1k5v n ARG 35 Ca -0.11 -0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.50 1k5v n ARG 35 Cb 0.62 -1.16 -0.03 0.00 -1.02 0.00 0.00 32.46 30.87 1k5v n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1k5v s ASP 36 N -2.77 6.12 0.00 0.55 2.15 -1.26 -4.87 116.67 116.58 1k5v s ASP 36 Ca -0.02 0.06 0.04 0.00 0.43 0.00 0.00 52.55 53.05 1k5v s ASP 36 Cb 0.04 -2.55 0.18 0.00 -0.30 0.00 0.00 42.92 40.29 1k5v s ASP 36 CO 0.29 -1.76 1.00 -2.11 -0.17 0.00 0.00 175.17 172.42 1k5v n ARG 37 N 8.87 0.04 0.04 4.34 1.85 -1.26 -1.85 116.66 128.69 1k5v n ARG 37 Ca 0.10 0.31 0.13 0.00 -1.00 0.00 0.00 57.85 57.39 1k5v n ARG 37 Cb 0.49 -1.50 0.34 0.00 -1.05 0.00 0.00 32.46 30.74 1k5v n ARG 37 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1k5v n SER 38 N -1.36 0.50 -4.65 2.89 3.41 -1.26 -4.90 113.62 108.26 1k5v n SER 38 Ca 0.01 0.19 -0.41 0.00 -0.26 0.00 0.00 58.87 58.41 1k5v n SER 38 Cb 0.03 -0.15 0.02 0.00 -0.26 0.00 0.00 64.21 63.85 1k5v n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1k5v n ASP 39 N -1.83 1.77 -0.48 4.04 -0.08 -0.77 -4.88 116.55 114.31 1k5v n ASP 39 Ca 0.05 1.04 0.12 0.00 -1.51 0.00 0.00 54.79 54.49 1k5v n ASP 39 Cb 0.39 -1.42 0.23 0.00 2.34 0.00 0.00 41.12 42.65 1k5v n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k5v n GLN 40 N -0.07 1.34 -0.31 -0.67 6.02 -1.26 -4.12 117.38 118.31 1k5v n GLN 40 Ca 0.09 -0.97 0.11 0.00 -0.01 0.00 0.00 57.00 56.21 1k5v n GLN 40 Cb 0.40 -1.48 0.29 0.00 1.02 0.00 0.00 30.24 30.47 1k5v n GLN 40 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1k5v n HIS 41 N 0.02 0.82 0.59 1.08 8.25 -1.26 -4.27 115.22 120.44 1k5v n HIS 41 Ca 0.13 -0.41 0.09 0.00 -0.26 0.00 0.00 57.72 57.27 1k5v n HIS 41 Cb 0.43 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.43 1k5v n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1k5v n ILE 42 N 1.42 0.00 -2.41 1.59 -5.35 -1.26 -2.29 119.36 111.06 1k5v n ILE 42 Ca 0.22 -0.18 -0.43 0.00 -0.27 0.00 0.00 62.75 62.09 1k5v n ILE 42 Cb 0.56 0.73 -0.02 0.00 -1.74 0.00 0.00 39.64 39.16 1k5v n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1k5v s GLN 43 N -2.86 3.95 0.06 6.28 1.11 -1.26 -4.56 119.66 122.37 1k5v s GLN 43 Ca 0.03 1.31 0.06 0.00 0.01 0.00 0.00 55.36 56.77 1k5v s GLN 43 Cb 0.13 -3.87 -0.04 0.00 -1.01 0.00 0.00 33.01 28.22 1k5v s GLN 43 CO 0.74 -1.08 -0.12 -0.51 0.01 0.00 0.00 175.29 174.33 1k5v s LEU 44 N 4.31 2.90 -0.42 2.90 1.43 0.19 -2.60 118.68 127.40 1k5v s LEU 44 Ca 0.57 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1k5v s LEU 44 Cb -0.18 -1.71 0.11 0.00 0.03 0.00 0.00 46.19 44.45 1k5v s LEU 44 CO 0.22 0.23 0.24 -1.58 0.23 0.00 0.00 176.35 175.69 1k5v s GLN 45 N -1.77 2.14 0.04 1.70 2.00 0.22 0.24 119.66 124.24 1k5v s GLN 45 Ca 0.18 -1.79 -0.29 0.00 -2.00 0.00 0.00 55.36 51.46 1k5v s GLN 45 Cb -0.11 -3.68 -0.04 0.00 0.80 0.00 0.00 33.01 29.98 1k5v s GLN 45 CO 0.09 -1.10 0.93 -0.51 -0.50 0.00 0.00 175.29 174.20 1k5v s LEU 46 N 1.21 4.42 -0.12 3.68 1.02 -1.26 -2.23 118.68 125.39 1k5v s LEU 46 Ca 0.07 1.66 0.02 0.00 0.02 0.00 0.00 54.13 55.90 1k5v s LEU 46 Cb -0.24 -3.51 -0.00 0.00 0.02 0.00 0.00 46.19 42.47 1k5v s LEU 46 CO -0.03 -0.15 -0.20 -0.55 0.02 0.00 0.00 176.35 175.44 1k5v s SER 47 N 0.49 3.37 -0.78 2.29 0.15 -0.02 -4.93 113.70 114.27 1k5v s SER 47 Ca 0.48 -0.51 -0.24 0.00 0.70 0.00 0.00 55.95 56.37 1k5v s SER 47 Cb -0.22 -1.48 0.06 0.00 -1.71 0.00 0.00 66.02 62.67 1k5v s SER 47 CO 0.27 0.13 1.19 0.00 1.20 0.00 0.00 173.24 176.03 1k5v s ALA 48 N 0.54 2.93 0.15 5.45 0.00 -1.26 -0.68 121.76 128.89 1k5v s ALA 48 Ca -0.12 -1.82 -0.04 0.00 0.00 0.00 0.00 51.96 49.98 1k5v s ALA 48 Cb -0.17 -4.15 -0.02 0.00 0.00 0.00 0.00 23.12 18.78 1k5v s ALA 48 CO 0.04 -3.14 1.38 1.49 0.00 0.00 0.00 175.76 175.53 1k5v h GLU 49 N 9.72 0.47 -2.99 0.00 4.57 -1.44 -3.48 114.58 121.43 1k5v h GLU 49 Ca -0.16 -0.42 0.01 0.00 -1.18 0.00 0.00 59.36 57.62 1k5v h GLU 49 Cb 1.05 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 1k5v h GLU 49 CO 1.25 1.06 0.27 0.45 -1.18 0.00 0.00 179.01 180.86 1k5v s SER 50 N -7.03 -0.08 -0.06 1.04 0.15 -1.13 -5.00 113.70 101.59 1k5v s SER 50 Ca -0.06 -0.97 -0.31 0.00 0.70 0.00 0.00 55.95 55.31 1k5v s SER 50 Cb 0.10 0.81 -0.09 0.00 -1.71 0.00 0.00 66.02 65.13 1k5v s SER 50 CO 0.86 -1.57 2.02 0.55 1.20 0.00 0.00 173.24 176.29 1k5v n VAL 51 N -0.51 0.63 -1.10 4.45 3.14 -1.26 -0.74 118.33 122.93 1k5v n VAL 51 Ca -0.07 -0.21 -0.04 0.00 -2.96 0.00 0.00 64.34 61.07 1k5v n VAL 51 Cb 0.60 -2.26 -0.02 0.00 -1.06 0.00 0.00 33.84 31.10 1k5v n VAL 51 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k5v n GLY 52 N 4.86 0.56 3.34 7.55 0.00 -1.26 -5.00 105.19 115.23 1k5v n GLY 52 Ca 0.23 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1k5v n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k5v s GLU 53 N -1.67 3.29 0.09 1.61 2.12 0.08 -1.45 118.70 122.77 1k5v s GLU 53 Ca 0.00 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.57 1k5v s GLU 53 Cb 0.00 -2.55 -0.03 0.00 0.26 0.00 0.00 34.13 31.81 1k5v s GLU 53 CO 0.00 0.22 0.05 0.14 -0.54 0.00 0.00 175.26 175.13 1k5v s VAL 54 N 0.32 0.16 -0.06 3.70 -7.23 -0.22 -1.05 120.40 116.02 1k5v s VAL 54 Ca -0.12 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1k5v s VAL 54 Cb -0.16 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 1k5v s VAL 54 CO 0.06 -0.73 -0.03 -0.31 -0.31 0.00 0.00 175.10 173.78 1k5v s TYR 55 N -3.96 3.03 -0.29 2.82 2.02 0.15 -2.15 117.35 118.98 1k5v s TYR 55 Ca 0.13 0.09 -0.00 0.00 -0.37 0.00 0.00 57.07 56.92 1k5v s TYR 55 Cb 0.07 -1.72 0.06 0.00 -0.40 0.00 0.00 41.96 39.96 1k5v s TYR 55 CO -0.06 0.40 -0.03 0.42 -1.57 0.00 0.00 175.55 174.71 1k5v s ILE 56 N -0.89 2.69 -0.02 2.71 1.01 -1.26 -0.84 121.20 124.60 1k5v s ILE 56 Ca 0.14 -1.50 0.07 0.00 0.00 0.00 0.00 60.65 59.36 1k5v s ILE 56 Cb -0.11 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1k5v s ILE 56 CO 0.03 -0.10 -0.23 -0.75 0.00 0.00 0.00 174.94 173.90 1k5v s LYS 57 N 1.19 1.90 -0.22 2.79 2.20 -0.95 0.62 119.74 127.28 1k5v s LYS 57 Ca -0.06 -0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 54.45 1k5v s LYS 57 Cb -0.20 -1.80 -0.02 0.00 -1.51 0.00 0.00 37.83 34.30 1k5v s LYS 57 CO -0.03 0.47 1.46 0.45 -0.36 0.00 0.00 175.35 177.34 1k5v s SER 58 N -0.47 6.60 0.41 1.43 0.15 0.15 -0.61 113.70 121.36 1k5v s SER 58 Ca 0.07 1.55 0.19 0.00 0.70 0.00 0.00 55.95 58.46 1k5v s SER 58 Cb -0.09 -2.54 0.89 0.00 -1.71 0.00 0.00 66.02 62.57 1k5v s SER 58 CO -0.00 -1.08 1.85 0.71 1.20 0.00 0.00 173.24 175.91 1k5v h THR 59 N 5.92 0.91 0.37 6.45 1.35 -1.82 1.26 112.91 127.35 1k5v h THR 59 Ca -0.30 -1.19 -0.02 0.00 -0.55 0.00 0.00 66.41 64.34 1k5v h THR 59 Cb 1.13 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1k5v h THR 59 CO 1.00 0.30 -0.18 -0.08 -0.25 0.00 0.00 175.52 176.32 1k5v h GLU 60 N 0.00 -0.48 0.00 4.72 4.57 -1.79 -3.38 114.58 118.21 1k5v h GLU 60 Ca -0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1k5v h GLU 60 Cb 0.68 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1k5v h GLU 60 CO 0.04 -0.29 -1.20 0.25 -1.18 0.00 0.00 179.01 176.63 1k5v n THR 61 N -5.11 0.04 0.00 0.32 -2.24 -1.23 -4.99 114.28 101.08 1k5v n THR 61 Ca -0.07 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1k5v n THR 61 Cb 0.21 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1k5v n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k5v n GLY 62 N 1.42 2.91 3.71 3.38 0.00 0.43 -4.99 105.19 112.06 1k5v n GLY 62 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1k5v n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k5v s GLN 63 N -0.04 1.88 -0.06 1.61 -0.21 -1.25 -4.42 119.66 117.16 1k5v s GLN 63 Ca 0.00 1.66 -0.02 0.00 0.02 0.00 0.00 55.36 57.02 1k5v s GLN 63 Cb 0.00 -1.81 -0.04 0.00 1.00 0.00 0.00 33.01 32.16 1k5v s GLN 63 CO 0.00 -2.01 0.06 0.71 -2.12 0.00 0.00 175.29 171.93 1k5v s TYR 64 N -2.22 3.30 0.15 0.91 2.02 0.10 0.32 117.35 121.91 1k5v s TYR 64 Ca 0.71 0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 57.37 1k5v s TYR 64 Cb -0.27 -1.80 -0.08 0.00 -0.40 0.00 0.00 41.96 39.42 1k5v s TYR 64 CO 0.49 0.56 1.28 -1.17 -1.57 0.00 0.00 175.55 175.13 1k5v s LEU 65 N -1.24 4.40 0.08 -1.29 2.96 0.20 -0.13 118.68 123.67 1k5v s LEU 65 Ca 0.17 2.26 -0.05 0.00 -0.22 0.00 0.00 54.13 56.29 1k5v s LEU 65 Cb -0.12 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 1k5v s LEU 65 CO 0.07 -0.51 0.10 0.00 -1.32 0.00 0.00 176.35 174.70 1k5v s ALA 66 N 0.50 0.12 -0.12 5.97 0.00 0.17 -4.36 121.76 124.04 1k5v s ALA 66 Ca 0.58 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1k5v s ALA 66 Cb -0.34 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1k5v s ALA 66 CO 0.34 -0.46 -0.12 1.41 0.00 0.00 0.00 175.76 176.93 1k5v s MET 67 N -3.90 1.96 0.84 0.00 1.75 -0.72 0.02 119.30 119.25 1k5v s MET 67 Ca 0.07 -0.43 -0.13 0.00 -1.25 0.00 0.00 55.69 53.95 1k5v s MET 67 Cb 0.06 -1.83 0.10 0.00 2.84 0.00 0.00 34.83 36.00 1k5v s MET 67 CO -0.10 -0.20 1.20 0.16 -0.65 0.00 0.00 175.02 175.43 1k5v s ASP 68 N 1.44 4.24 0.41 1.11 1.47 -0.20 -4.79 116.67 120.35 1k5v s ASP 68 Ca 0.02 0.72 0.21 0.00 1.18 0.00 0.00 52.55 54.67 1k5v s ASP 68 Cb -0.13 -1.15 1.12 0.00 -0.34 0.00 0.00 42.92 42.41 1k5v s ASP 68 CO -0.07 -2.07 1.58 0.71 0.68 0.00 0.00 175.17 176.00 1k5v h THR 69 N -1.17 0.00 -0.02 2.11 1.35 -2.00 0.67 112.91 113.84 1k5v h THR 69 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1k5v h THR 69 Cb 1.32 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1k5v h THR 69 CO 0.62 0.00 -0.18 0.47 -0.25 0.00 0.00 175.52 176.18 1k5v n ASP 70 N -2.33 2.38 0.00 5.36 8.00 -1.26 -4.96 116.55 123.75 1k5v n ASP 70 Ca -0.01 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.78 1k5v n ASP 70 Cb 0.24 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 1k5v n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k5v n GLY 71 N 1.35 0.59 3.71 0.44 0.00 0.23 -4.68 105.19 106.84 1k5v n GLY 71 Ca 0.13 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1k5v n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k5v s LEU 72 N 0.00 4.24 0.45 0.99 2.96 -1.26 -0.39 118.68 125.68 1k5v s LEU 72 Ca 0.00 0.78 -0.21 0.00 -0.22 0.00 0.00 54.13 54.47 1k5v s LEU 72 Cb 0.00 -2.70 -0.09 0.00 0.50 0.00 0.00 46.19 43.90 1k5v s LEU 72 CO 0.00 -0.05 1.02 -0.76 -1.32 0.00 0.00 176.35 175.24 1k5v s LEU 73 N 0.89 3.95 0.19 -0.68 1.43 -1.26 -1.03 118.68 122.18 1k5v s LEU 73 Ca 0.25 1.90 -0.23 0.00 -1.03 0.00 0.00 54.13 55.03 1k5v s LEU 73 Cb -0.15 -4.45 0.05 0.00 0.03 0.00 0.00 46.19 41.67 1k5v s LEU 73 CO 0.10 -0.61 0.75 -0.72 0.23 0.00 0.00 176.35 176.10 1k5v s TYR 74 N -1.93 -0.30 -0.24 0.29 1.13 0.10 -4.55 117.35 111.85 1k5v s TYR 74 Ca 0.64 -0.03 -0.09 0.00 -1.41 0.00 0.00 57.07 56.17 1k5v s TYR 74 Cb -0.16 0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 1k5v s TYR 74 CO 0.20 -0.98 0.13 0.20 -2.51 0.00 0.00 175.55 172.59 1k5v s GLY 75 N -2.83 1.91 -0.08 5.49 0.00 -0.15 0.45 107.32 112.12 1k5v s GLY 75 Ca 0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 1k5v s GLY 75 CO -0.01 0.41 0.07 -1.35 0.00 0.00 0.00 173.10 172.21 1k5v s SER 76 N 1.18 5.73 0.18 1.64 1.04 0.82 -4.77 113.70 119.53 1k5v s SER 76 Ca 0.06 0.26 -0.07 0.00 0.48 0.00 0.00 55.95 56.68 1k5v s SER 76 Cb -0.14 -1.71 0.08 0.00 0.10 0.00 0.00 66.02 64.34 1k5v s SER 76 CO 0.05 0.36 1.54 1.56 0.98 0.00 0.00 173.24 177.74 1k5v h GLN 77 N 4.84 0.81 -5.93 4.02 1.08 -1.91 0.28 115.11 118.31 1k5v h GLN 77 Ca -0.52 -0.40 -0.68 0.00 -1.45 0.00 0.00 58.65 55.61 1k5v h GLN 77 Cb 1.20 -0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.47 1k5v h GLN 77 CO 0.58 1.03 -0.63 0.95 -0.95 0.00 0.00 178.83 179.80 1k5v s THR 78 N -4.42 4.23 0.12 -0.54 -4.23 -1.26 -4.73 115.64 104.82 1k5v s THR 78 Ca -0.10 -0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 59.84 1k5v s THR 78 Cb 0.12 -2.78 -0.07 0.00 1.34 0.00 0.00 72.50 71.11 1k5v s THR 78 CO 0.86 0.59 1.14 -2.16 -0.54 0.00 0.00 174.62 174.51 1k5v s PRO 79 N -0.75 4.52 0.26 3.99 0.04 -1.26 -4.89 135.00 136.91 1k5v s PRO 79 Ca 0.12 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 1k5v s PRO 79 Cb -0.11 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1k5v s PRO 79 CO 0.02 -0.07 0.39 0.27 0.04 0.00 0.00 177.00 177.65 1k5v n ASN 80 N 3.06 -1.11 -0.31 6.66 0.23 -1.26 -5.02 115.26 117.51 1k5v n ASN 80 Ca 0.05 -2.33 0.12 0.00 -0.53 0.00 0.00 54.58 51.89 1k5v n ASN 80 Cb 0.46 2.01 0.35 0.00 -2.08 0.00 0.00 39.78 40.53 1k5v n ASN 80 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1k5v h GLU 81 N 0.00 0.72 0.00 -3.83 4.81 -1.98 0.16 114.58 114.45 1k5v h GLU 81 Ca -0.21 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1k5v h GLU 81 Cb 0.87 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1k5v h GLU 81 CO 0.27 0.47 0.00 0.39 -0.73 0.00 0.00 179.01 179.42 1k5v n GLU 82 N -4.62 0.01 0.00 1.92 1.02 -1.26 -2.28 120.64 115.43 1k5v n GLU 82 Ca 0.20 0.35 0.12 0.00 -0.02 0.00 0.00 57.16 57.81 1k5v n GLU 82 Cb 0.51 -1.52 0.14 0.00 -0.02 0.00 0.00 31.44 30.54 1k5v n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k5v s LEU 84 N -2.63 4.37 0.10 0.00 1.43 -0.97 -4.41 118.68 116.57 1k5v s LEU 84 Ca 0.18 1.10 0.04 0.00 -1.03 0.00 0.00 54.13 54.42 1k5v s LEU 84 Cb 0.18 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1k5v s LEU 84 CO 0.62 0.04 -0.11 -0.36 0.23 0.00 0.00 176.35 176.77 1k5v s PHE 85 N 0.15 1.11 -0.29 0.29 0.40 -0.91 -1.15 117.98 117.57 1k5v s PHE 85 Ca 0.31 -0.63 -0.08 0.00 -0.60 0.00 0.00 56.93 55.94 1k5v s PHE 85 Cb -0.18 -0.60 -0.00 0.00 0.51 0.00 0.00 43.02 42.75 1k5v s PHE 85 CO 0.16 0.02 0.10 -0.51 0.70 0.00 0.00 175.22 175.69 1k5v s LEU 86 N -2.40 3.83 -0.22 -0.37 1.43 0.28 -1.06 118.68 120.17 1k5v s LEU 86 Ca 0.05 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.34 1k5v s LEU 86 Cb -0.04 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1k5v s LEU 86 CO 0.01 -0.16 0.85 -0.70 0.23 0.00 0.00 176.35 176.58 1k5v s GLU 87 N 1.55 4.23 0.02 1.70 2.12 -0.53 -2.42 118.70 125.37 1k5v s GLU 87 Ca 0.04 1.01 0.01 0.00 0.36 0.00 0.00 54.97 56.38 1k5v s GLU 87 Cb -0.17 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.59 1k5v s GLU 87 CO 0.04 -0.47 -0.04 1.03 -0.54 0.00 0.00 175.26 175.28 1k5v s ARG 88 N 2.65 0.33 -0.13 4.30 1.81 -0.14 -4.84 118.95 122.93 1k5v s ARG 88 Ca 0.37 -0.49 -0.03 0.00 -1.72 0.00 0.00 55.73 53.85 1k5v s ARG 88 Cb -0.16 -0.07 -0.03 0.00 -0.45 0.00 0.00 34.95 34.24 1k5v s ARG 88 CO 0.09 0.00 -0.01 -0.48 -0.68 0.00 0.00 175.30 174.22 1k5v s LEU 89 N -1.08 3.44 0.69 2.53 2.34 -1.26 0.35 118.68 125.69 1k5v s LEU 89 Ca -0.10 0.01 -0.08 0.00 0.06 0.00 0.00 54.13 54.03 1k5v s LEU 89 Cb -0.07 -1.81 0.05 0.00 -0.56 0.00 0.00 46.19 43.79 1k5v s LEU 89 CO -0.00 0.26 1.01 -1.61 -1.06 0.00 0.00 176.35 174.96 1k5v s GLU 90 N -0.20 2.40 0.48 1.48 0.41 0.39 -4.93 118.70 118.72 1k5v s GLU 90 Ca 0.05 -0.08 0.27 0.00 -0.41 0.00 0.00 54.97 54.79 1k5v s GLU 90 Cb -0.13 -2.15 1.33 0.00 -1.78 0.00 0.00 34.13 31.40 1k5v s GLU 90 CO 0.02 -1.13 1.82 1.05 -0.49 0.00 0.00 175.26 176.53 1k5v h GLU 91 N -0.56 0.18 -0.38 1.61 4.11 -2.00 -3.21 114.58 114.34 1k5v h GLU 91 Ca -0.45 -0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.05 1k5v h GLU 91 Cb 1.30 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.43 1k5v h GLU 91 CO 0.61 0.12 -0.17 -2.95 0.07 0.00 0.00 179.01 176.69 1k5v h ASN 92 N 0.18 -0.57 0.00 3.06 -1.07 -2.04 -3.45 115.58 111.69 1k5v h ASN 92 Ca 0.52 0.14 0.00 0.00 0.07 0.00 0.00 56.30 57.03 1k5v h ASN 92 Cb 1.72 0.32 0.00 0.00 -2.07 0.00 0.00 38.32 38.29 1k5v h ASN 92 CO -0.12 -0.20 0.00 1.41 0.07 0.00 0.00 177.43 178.58 1k5v n HIS 93 N -5.35 0.00 -3.28 4.14 -0.00 -1.21 -5.11 115.22 104.41 1k5v n HIS 93 Ca 0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.35 1k5v n HIS 93 Cb 0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.19 1k5v n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1k5v s TYR 94 N -1.06 3.77 0.15 4.41 2.02 -1.26 -4.61 117.35 120.77 1k5v s TYR 94 Ca 0.00 1.23 0.03 0.00 -0.37 0.00 0.00 57.07 57.97 1k5v s TYR 94 Cb 0.00 -2.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.02 1k5v s TYR 94 CO 0.00 0.54 0.22 -0.80 -1.57 0.00 0.00 175.55 173.94 1k5v s ASN 95 N -0.89 6.00 0.08 2.29 0.02 0.34 -0.47 114.94 122.32 1k5v s ASN 95 Ca 0.29 0.05 0.08 0.00 -1.02 0.00 0.00 52.86 52.26 1k5v s ASN 95 Cb -0.19 -1.72 -0.04 0.00 0.02 0.00 0.00 41.25 39.32 1k5v s ASN 95 CO 0.18 0.06 -0.19 0.42 0.02 0.00 0.00 177.10 177.59 1k5v s THR 96 N -1.74 2.74 -0.38 1.60 -4.23 1.08 -1.31 115.64 113.41 1k5v s THR 96 Ca 0.33 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 1k5v s THR 96 Cb -0.11 -2.21 0.13 0.00 1.34 0.00 0.00 72.50 71.66 1k5v s THR 96 CO 0.26 0.21 0.21 -0.31 -0.54 0.00 0.00 174.62 174.45 1k5v s TYR 97 N -1.03 1.23 0.08 3.99 1.51 -1.25 -0.97 117.35 120.91 1k5v s TYR 97 Ca 0.16 -1.89 -0.15 0.00 -1.01 0.00 0.00 57.07 54.18 1k5v s TYR 97 Cb -0.10 -1.33 -0.06 0.00 -0.11 0.00 0.00 41.96 40.35 1k5v s TYR 97 CO 0.07 -0.82 0.50 -1.50 -1.11 0.00 0.00 175.55 172.70 1k5v s ILE 98 N 0.90 4.89 0.07 2.71 2.07 -1.02 -0.42 121.20 130.41 1k5v s ILE 98 Ca 0.17 0.91 -0.31 0.00 -1.41 0.00 0.00 60.65 60.01 1k5v s ILE 98 Cb -0.23 -3.77 -0.09 0.00 0.13 0.00 0.00 42.46 38.50 1k5v s ILE 98 CO -0.03 0.43 1.78 -0.55 -1.91 0.00 0.00 174.94 174.66 1k5v s SER 99 N -1.37 6.51 0.06 4.50 0.15 0.10 -0.55 113.70 123.10 1k5v s SER 99 Ca 0.31 2.60 -0.26 0.00 0.70 0.00 0.00 55.95 59.30 1k5v s SER 99 Cb -0.17 -2.56 -0.17 0.00 -1.71 0.00 0.00 66.02 61.42 1k5v s SER 99 CO 0.17 -0.97 1.58 0.50 1.20 0.00 0.00 173.24 175.73 1k5v h LYS 100 N 8.98 -0.29 -0.76 5.44 3.64 -1.46 0.12 116.57 132.23 1k5v h LYS 100 Ca -0.45 0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.12 1k5v h LYS 100 Cb 1.21 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.99 1k5v h LYS 100 CO 0.94 -0.12 0.21 -0.22 -2.27 0.00 0.00 179.45 177.99 1k5v h LYS 101 N -0.41 0.28 -0.37 1.90 3.64 -1.79 -2.30 116.57 117.52 1k5v h LYS 101 Ca -0.03 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.15 1k5v h LYS 101 Cb 0.31 -0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 31.96 1k5v h LYS 101 CO 0.05 0.19 -0.04 0.72 -2.27 0.00 0.00 179.45 178.09 1k5v n HIS 102 N -5.14 1.15 -0.08 1.91 8.25 -1.19 -4.74 115.22 115.39 1k5v n HIS 102 Ca 0.15 -1.55 0.17 0.00 -0.26 0.00 0.00 57.72 56.24 1k5v n HIS 102 Cb 0.49 -0.49 0.59 0.00 1.12 0.00 0.00 29.99 31.70 1k5v n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k5v h ALA 103 N 1.07 2.29 0.00 -1.41 0.00 -0.16 -0.28 119.26 120.77 1k5v h ALA 103 Ca 0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1k5v h ALA 103 Cb 1.69 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1k5v h ALA 103 CO 0.40 -0.46 -0.18 1.05 0.00 0.00 0.00 179.25 180.06 1k5v h GLU 104 N 0.21 0.00 -0.00 0.00 9.09 -1.85 -2.30 114.58 119.74 1k5v h GLU 104 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.71 1k5v h GLU 104 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.99 1k5v h GLU 104 CO -0.06 0.18 -0.33 1.63 0.05 0.00 0.00 179.01 180.48 1k5v n LYS 105 N -4.08 0.21 -2.80 1.06 5.02 -0.13 -4.96 118.16 112.49 1k5v n LYS 105 Ca -0.02 -0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.08 1k5v n LYS 105 Cb 0.26 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.80 1k5v n LYS 105 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k5v n GLY 106 N 1.45 0.35 3.51 0.72 0.00 -0.87 -4.95 105.19 105.40 1k5v n GLY 106 Ca 0.08 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1k5v n GLY 106 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k5v s TRP 107 N -3.12 3.16 0.41 1.61 0.52 -1.24 -4.50 118.94 115.78 1k5v s TRP 107 Ca 0.16 -0.16 0.07 0.00 0.02 0.00 0.00 56.10 56.19 1k5v s TRP 107 Cb -0.07 -2.95 -0.04 0.00 -1.15 0.00 0.00 33.47 29.26 1k5v s TRP 107 CO 0.26 -0.66 0.26 -0.06 0.02 0.00 0.00 176.95 176.77 1k5v s PHE 108 N 2.29 2.66 0.10 -1.98 0.40 -1.26 0.00 117.98 120.19 1k5v s PHE 108 Ca 0.15 -0.54 -0.29 0.00 -0.60 0.00 0.00 56.93 55.65 1k5v s PHE 108 Cb -0.16 -2.03 -0.06 0.00 0.51 0.00 0.00 43.02 41.28 1k5v s PHE 108 CO 0.14 0.07 0.94 0.08 0.70 0.00 0.00 175.22 177.15 1k5v s VAL 109 N -2.54 4.53 0.05 -0.44 1.01 0.44 -4.51 120.40 118.94 1k5v s VAL 109 Ca 0.44 2.03 -0.27 0.00 0.00 0.00 0.00 61.98 64.17 1k5v s VAL 109 Cb 0.01 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 32.16 1k5v s VAL 109 CO 0.25 0.32 0.65 -0.83 0.00 0.00 0.00 175.10 175.49 1k5v s GLY 110 N -0.00 -0.59 -0.01 4.51 0.00 -1.26 -4.44 107.32 105.53 1k5v s GLY 110 Ca 0.46 0.92 0.07 0.00 0.00 0.00 0.00 44.72 46.18 1k5v s GLY 110 CO 0.29 0.56 -0.23 1.08 0.00 0.00 0.00 173.10 174.80 1k5v s LEU 111 N -1.97 2.06 0.66 0.66 1.43 0.06 0.11 118.68 121.69 1k5v s LEU 111 Ca -0.05 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.51 1k5v s LEU 111 Cb -0.01 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 45.02 1k5v s LEU 111 CO -0.02 0.28 1.04 -0.54 0.23 0.00 0.00 176.35 177.34 1k5v s LYS 112 N -0.63 3.07 0.59 1.70 1.02 0.66 -4.46 119.74 121.69 1k5v s LYS 112 Ca 0.09 0.45 0.29 0.00 0.02 0.00 0.00 55.97 56.82 1k5v s LYS 112 Cb -0.09 -2.09 1.42 0.00 -0.52 0.00 0.00 37.83 36.55 1k5v s LYS 112 CO -0.01 -0.84 1.83 0.87 -0.92 0.00 0.00 175.35 176.29 1k5v h LYS 113 N -0.46 0.00 -0.24 1.68 1.79 -1.93 0.38 116.57 117.80 1k5v h LYS 113 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1k5v h LYS 113 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1k5v h LYS 113 CO 0.63 0.00 0.00 0.27 -1.08 0.00 0.00 179.45 179.27 1k5v n ASN 114 N -3.67 1.56 0.00 0.86 6.94 -1.26 -4.41 115.26 115.27 1k5v n ASN 114 Ca 0.11 -1.85 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 1k5v n ASN 114 Cb 0.79 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 38.05 1k5v n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k5v n GLY 115 N 1.03 2.05 3.77 4.83 0.00 0.13 -4.91 105.19 112.09 1k5v n GLY 115 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1k5v n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k5v s SER 116 N -3.41 7.14 0.49 1.61 0.01 -1.25 0.12 113.70 118.40 1k5v s SER 116 Ca 0.00 2.03 -0.22 0.00 1.31 0.00 0.00 55.95 59.07 1k5v s SER 116 Cb 0.00 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.57 1k5v s SER 116 CO 0.00 -0.22 1.16 0.00 0.41 0.00 0.00 173.24 174.59 1k5v s LYS 118 N -2.92 4.24 0.20 0.00 2.20 0.30 -4.66 119.74 119.11 1k5v s LYS 118 Ca 0.67 0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 1k5v s LYS 118 Cb -0.27 -3.42 -0.08 0.00 -1.51 0.00 0.00 37.83 32.55 1k5v s LYS 118 CO 0.32 0.25 1.08 -0.98 -0.36 0.00 0.00 175.35 175.66 1k5v s ARG 119 N 0.43 4.63 0.02 4.03 1.04 -1.26 -4.32 118.95 123.52 1k5v s ARG 119 Ca 0.17 1.71 -0.04 0.00 -1.04 0.00 0.00 55.73 56.53 1k5v s ARG 119 Cb -0.13 -3.26 -0.01 0.00 -2.04 0.00 0.00 34.95 29.51 1k5v s ARG 119 CO 0.05 0.15 0.38 0.41 -0.04 0.00 0.00 175.30 176.25 1k5v n GLY 120 N 1.81 -0.93 0.33 3.88 0.00 0.48 0.12 105.19 110.88 1k5v n GLY 120 Ca 0.01 0.26 0.15 0.00 0.00 0.00 0.00 46.02 46.44 1k5v n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k5v h PRO 121 N 0.00 0.00 0.00 1.61 0.13 -1.85 0.65 132.00 132.54 1k5v h PRO 121 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1k5v h PRO 121 Cb 0.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1k5v h PRO 121 CO -0.11 0.00 -0.57 0.54 -0.23 0.00 0.00 178.00 177.63 1k5v n ARG 122 N -2.87 0.13 -2.76 0.86 5.12 0.34 -4.91 116.66 112.56 1k5v n ARG 122 Ca -0.02 0.03 -0.28 0.00 -1.93 0.00 0.00 57.85 55.65 1k5v n ARG 122 Cb 0.38 -1.58 -0.01 0.00 -1.16 0.00 0.00 32.46 30.09 1k5v n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1k5v s THR 123 N -3.08 4.88 -0.01 0.55 -4.23 0.23 -4.98 115.64 109.01 1k5v s THR 123 Ca 0.09 0.31 -0.23 0.00 -1.18 0.00 0.00 61.69 60.67 1k5v s THR 123 Cb 0.16 -3.82 0.05 0.00 1.34 0.00 0.00 72.50 70.23 1k5v s THR 123 CO 0.71 -0.71 0.52 -2.28 -0.54 0.00 0.00 174.62 172.32 1k5v s HIS 124 N -2.58 -0.44 0.29 3.99 5.04 -1.26 -4.86 115.29 115.47 1k5v s HIS 124 Ca 0.48 0.65 -0.30 0.00 -1.54 0.00 0.00 55.06 54.36 1k5v s HIS 124 Cb -0.10 0.30 -0.13 0.00 0.04 0.00 0.00 32.58 32.69 1k5v s HIS 124 CO 0.40 -0.56 1.40 0.98 -2.34 0.00 0.00 174.74 174.61 1k5v n TYR 125 N 0.82 2.36 0.00 3.88 9.36 -1.26 -2.23 117.16 130.09 1k5v n TYR 125 Ca -0.19 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.47 1k5v n TYR 125 Cb 0.58 -2.47 0.00 0.00 -0.63 0.00 0.00 39.34 36.82 1k5v n TYR 125 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1k5v n GLY 126 N 1.59 2.40 1.41 2.98 0.00 -1.26 -5.02 105.19 107.28 1k5v n GLY 126 Ca 0.08 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 1k5v n GLY 126 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1k5v n GLN 127 N 0.00 0.00 -0.03 1.61 7.27 -0.95 -4.86 117.38 120.42 1k5v n GLN 127 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 1k5v n GLN 127 Cb 0.00 -0.44 0.18 0.00 2.41 0.00 0.00 30.24 32.39 1k5v n GLN 127 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 1k5v h LYS 128 N 0.52 0.62 0.00 3.69 5.09 -1.95 -2.75 116.57 121.78 1k5v h LYS 128 Ca -0.13 -0.21 0.00 0.00 0.09 0.00 0.00 60.65 60.40 1k5v h LYS 128 Cb 0.59 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 32.88 1k5v h LYS 128 CO 0.24 0.76 0.01 0.00 -2.09 0.00 0.00 179.45 178.36 1k5v n ALA 129 N -2.49 1.01 0.70 0.07 0.00 -1.26 -2.00 120.51 116.54 1k5v n ALA 129 Ca 0.01 0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.60 1k5v n ALA 129 Cb 0.37 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 1k5v n ALA 129 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1k5v n ILE 130 N -1.80 0.00 -3.08 0.00 -5.35 -1.04 -0.76 119.36 107.34 1k5v n ILE 130 Ca -0.01 -0.22 -0.40 0.00 -0.27 0.00 0.00 62.75 61.86 1k5v n ILE 130 Cb 0.02 1.07 -0.05 0.00 -1.74 0.00 0.00 39.64 38.94 1k5v n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1k5v s LEU 131 N -2.44 4.28 -0.03 7.28 1.43 -0.85 -4.47 118.68 123.89 1k5v s LEU 131 Ca 0.08 1.10 0.03 0.00 -1.03 0.00 0.00 54.13 54.32 1k5v s LEU 131 Cb 0.12 -3.02 -0.00 0.00 0.03 0.00 0.00 46.19 43.31 1k5v s LEU 131 CO 0.53 -0.13 -0.13 -0.36 0.23 0.00 0.00 176.35 176.49 1k5v s PHE 132 N 0.98 1.25 -0.31 0.29 0.40 -0.42 -2.58 117.98 117.59 1k5v s PHE 132 Ca 0.35 -0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 56.27 1k5v s PHE 132 Cb -0.17 -0.86 0.00 0.00 0.51 0.00 0.00 43.02 42.50 1k5v s PHE 132 CO 0.16 -0.11 0.13 -1.17 0.70 0.00 0.00 175.22 174.93 1k5v s LEU 133 N 0.06 4.09 -0.08 -0.37 2.96 -0.69 0.13 118.68 124.77 1k5v s LEU 133 Ca -0.02 -0.66 -0.30 0.00 -0.22 0.00 0.00 54.13 52.93 1k5v s LEU 133 Cb -0.09 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1k5v s LEU 133 CO 0.01 -0.22 1.30 -2.16 -1.32 0.00 0.00 176.35 173.96 1k5v s PRO 134 N 1.56 4.28 0.00 0.98 0.04 -1.26 -1.84 135.00 138.76 1k5v s PRO 134 Ca 0.03 1.77 0.22 0.00 0.04 0.00 0.00 61.00 63.06 1k5v s PRO 134 Cb -0.17 -3.67 0.17 0.00 0.04 0.00 0.00 34.50 30.87 1k5v s PRO 134 CO 0.05 -0.60 1.19 1.28 0.04 0.00 0.00 177.00 178.96