#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5q s ASP 2 N 0.00 4.62 0.00 3.17 1.11 -1.26 -4.69 116.67 119.62 2k5q s ASP 2 Ca 0.00 -0.90 0.24 0.00 0.18 0.00 0.00 52.55 52.07 2k5q s ASP 2 Cb 0.00 -2.57 0.81 0.00 1.07 0.00 0.00 42.92 42.23 2k5q s ASP 2 CO 0.00 -3.36 1.60 0.00 1.18 0.00 0.00 175.17 174.59 2k5q n LEU 3 N 15.82 1.84 -0.34 1.23 -0.00 -1.26 -4.52 117.00 129.77 2k5q n LEU 3 Ca 0.43 -0.69 0.15 0.00 -0.00 0.00 0.00 56.01 55.90 2k5q n LEU 3 Cb 0.46 -0.06 0.35 0.00 -0.00 0.00 0.00 43.42 44.17 2k5q n LEU 3 CO 0.61 0.35 1.15 0.78 -0.00 0.00 0.00 177.39 180.28 2k5q h ASN 4 N 2.65 0.65 -0.92 1.45 4.21 -2.06 -2.62 115.58 118.94 2k5q h ASN 4 Ca 0.00 0.13 -0.49 0.00 1.21 0.00 0.00 56.30 57.15 2k5q h ASN 4 Cb 0.57 0.03 -0.42 0.00 -1.12 0.00 0.00 38.32 37.38 2k5q h ASN 4 CO 0.00 0.14 -0.88 0.54 -1.29 0.00 0.00 177.43 175.94 2k5q n ARG 5 N -4.88 3.02 -3.22 0.81 5.12 -1.26 -4.98 116.66 111.27 2k5q n ARG 5 Ca 0.25 -4.06 -0.45 0.00 -1.93 0.00 0.00 57.85 51.66 2k5q n ARG 5 Cb 0.68 -2.06 -0.05 0.00 -1.16 0.00 0.00 32.46 29.86 2k5q n ARG 5 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2k5q s MET 6 N -3.58 3.03 -0.39 5.56 -1.94 -0.99 -4.94 119.30 116.06 2k5q s MET 6 Ca 0.44 -1.37 0.10 0.00 -1.71 0.00 0.00 55.69 53.15 2k5q s MET 6 Cb 0.40 -4.23 0.32 0.00 2.01 0.00 0.00 34.83 33.33 2k5q s MET 6 CO -0.03 -1.36 0.72 0.41 -0.01 0.00 0.00 175.02 174.75 2k5q n GLY 7 N 5.24 3.08 0.00 -0.03 0.00 -1.26 -4.99 105.19 107.23 2k5q n GLY 7 Ca -0.11 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2k5q n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k5q n LYS 8 N 0.58 0.00 -2.11 1.61 3.00 -1.26 -4.87 118.16 115.11 2k5q n LYS 8 Ca 0.22 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.12 2k5q n LYS 8 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.64 2k5q n LYS 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2k5q s ASP 9 N -1.00 5.80 -0.29 3.14 1.11 -0.77 -4.86 116.67 119.81 2k5q s ASP 9 Ca 0.00 0.83 -0.13 0.00 0.18 0.00 0.00 52.55 53.44 2k5q s ASP 9 Cb 0.00 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 2k5q s ASP 9 CO 0.00 -1.86 0.26 -1.83 1.18 0.00 0.00 175.17 172.92 2k5q s GLU 10 N 5.93 3.86 -0.01 8.23 -1.05 -1.26 0.34 118.70 134.74 2k5q s GLU 10 Ca 0.70 -0.29 -0.15 0.00 -0.15 0.00 0.00 54.97 55.08 2k5q s GLU 10 Cb -0.17 -3.70 -0.06 0.00 -0.44 0.00 0.00 34.13 29.77 2k5q s GLU 10 CO 0.29 -0.28 0.40 0.71 0.95 0.00 0.00 175.26 177.33 2k5q s TYR 11 N 1.86 3.72 -0.61 4.83 1.51 -0.11 -4.85 117.35 123.70 2k5q s TYR 11 Ca 0.09 0.98 -0.20 0.00 -1.01 0.00 0.00 57.07 56.93 2k5q s TYR 11 Cb -0.16 -2.29 0.09 0.00 -0.11 0.00 0.00 41.96 39.49 2k5q s TYR 11 CO 0.11 0.63 0.77 0.71 -1.11 0.00 0.00 175.55 176.66 2k5q s TYR 12 N -1.02 2.92 0.29 2.71 2.02 -1.26 -1.46 117.35 121.56 2k5q s TYR 12 Ca 0.23 -0.84 0.08 0.00 -0.37 0.00 0.00 57.07 56.17 2k5q s TYR 12 Cb -0.16 -4.07 -0.04 0.00 -0.40 0.00 0.00 41.96 37.29 2k5q s TYR 12 CO 0.13 -1.38 0.16 0.14 -1.57 0.00 0.00 175.55 173.03 2k5q s VAL 13 N 3.03 3.68 0.01 0.71 -7.23 -0.79 -4.53 120.40 115.29 2k5q s VAL 13 Ca 0.14 -1.58 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 2k5q s VAL 13 Cb -0.22 -3.13 -0.01 0.00 0.56 0.00 0.00 36.38 33.58 2k5q s VAL 13 CO 0.07 -0.28 -0.09 -1.58 -0.31 0.00 0.00 175.10 172.92 2k5q s GLN 14 N -3.84 0.66 -0.82 4.82 -0.44 -1.26 -0.51 119.66 118.27 2k5q s GLN 14 Ca 0.35 -0.47 -0.25 0.00 -2.50 0.00 0.00 55.36 52.50 2k5q s GLN 14 Cb -0.06 -0.61 -0.04 0.00 -1.64 0.00 0.00 33.01 30.67 2k5q s GLN 14 CO 0.24 0.15 1.92 0.42 0.50 0.00 0.00 175.29 178.52 2k5q s ILE 15 N -0.55 3.42 -0.06 -2.34 -1.09 -1.25 -4.79 121.20 114.54 2k5q s ILE 15 Ca 0.00 -0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 58.19 2k5q s ILE 15 Cb -0.05 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 2k5q s ILE 15 CO 0.00 -0.93 -0.05 0.71 -1.23 0.00 0.00 174.94 173.44 2k5q h THR 16 N 7.15 0.00 -3.51 2.92 1.35 -1.92 -3.46 112.91 115.45 2k5q h THR 16 Ca -0.01 -0.45 -0.69 0.00 -0.55 0.00 0.00 66.41 64.71 2k5q h THR 16 Cb 1.05 0.00 -0.18 0.00 -1.73 0.00 0.00 68.15 67.29 2k5q h THR 16 CO 1.21 0.00 -0.13 0.68 -0.25 0.00 0.00 175.52 177.03 2k5q s VAL 17 N -1.46 5.03 0.48 6.82 -7.23 -1.26 -5.06 120.40 117.71 2k5q s VAL 17 Ca -0.04 -0.31 0.02 0.00 -1.81 0.00 0.00 61.98 59.84 2k5q s VAL 17 Cb 0.01 -4.10 0.02 0.00 0.56 0.00 0.00 36.38 32.87 2k5q s VAL 17 CO 0.07 -0.50 0.19 -0.90 -0.31 0.00 0.00 175.10 173.64 2k5q n ASP 18 N 5.76 2.93 0.00 4.85 5.75 -1.26 -4.44 116.55 130.14 2k5q n ASP 18 Ca -0.06 -2.87 0.00 0.00 -0.01 0.00 0.00 54.79 51.85 2k5q n ASP 18 Cb 0.47 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 2k5q n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k5q n GLY 19 N -0.75 0.33 3.85 6.12 0.00 -1.26 -5.00 105.19 108.47 2k5q n GLY 19 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2k5q n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5q s LYS 20 N -0.82 3.89 0.00 1.61 1.02 -1.26 -4.96 119.74 119.22 2k5q s LYS 20 Ca 0.00 0.92 -0.03 0.00 0.02 0.00 0.00 55.97 56.88 2k5q s LYS 20 Cb 0.00 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 2k5q s LYS 20 CO 0.00 -0.32 0.05 -1.83 -0.92 0.00 0.00 175.35 172.33 2k5q s GLU 21 N -4.26 0.31 -1.15 1.68 -1.05 -1.26 -0.74 118.70 112.24 2k5q s GLU 21 Ca 0.58 -0.36 -0.13 0.00 -0.15 0.00 0.00 54.97 54.91 2k5q s GLU 21 Cb -0.10 0.12 0.19 0.00 -0.44 0.00 0.00 34.13 33.91 2k5q s GLU 21 CO 0.35 -0.06 1.31 0.14 0.95 0.00 0.00 175.26 177.95 2k5q s VAL 22 N -1.06 5.24 -0.81 1.83 -7.23 -0.11 -4.79 120.40 113.48 2k5q s VAL 22 Ca -0.12 -2.71 0.27 0.00 -1.81 0.00 0.00 61.98 57.61 2k5q s VAL 22 Cb -0.07 -4.81 0.25 0.00 0.56 0.00 0.00 36.38 32.31 2k5q s VAL 22 CO 0.00 -1.49 1.79 1.57 -0.31 0.00 0.00 175.10 176.66 2k5q n HIS 23 N 5.01 0.63 -0.94 2.82 -0.00 -1.26 -4.48 115.22 116.99 2k5q n HIS 23 Ca 0.32 0.18 -0.41 0.00 0.46 0.00 0.00 57.72 58.27 2k5q n HIS 23 Cb 0.43 -0.79 -0.07 0.00 -0.12 0.00 0.00 29.99 29.45 2k5q n HIS 23 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k5q n SER 24 N -2.02 2.26 0.00 0.26 2.88 -1.26 -1.64 113.62 114.10 2k5q n SER 24 Ca 0.06 -2.60 0.00 0.00 -1.33 0.00 0.00 58.87 55.00 2k5q n SER 24 Cb 0.40 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 2k5q n SER 24 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2k5q n LYS 25 N 6.98 0.00 0.09 -1.46 3.00 -1.26 -5.01 118.16 120.50 2k5q n LYS 25 Ca 0.47 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.91 2k5q n LYS 25 Cb 0.38 0.00 0.43 0.00 0.00 0.00 0.00 35.03 35.84 2k5q n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k5q n ALA 26 N 0.00 2.29 0.32 3.14 0.00 -0.65 -4.06 120.51 121.54 2k5q n ALA 26 Ca 0.00 -0.03 0.19 0.00 0.00 0.00 0.00 53.44 53.60 2k5q n ALA 26 Cb 0.00 -1.47 1.06 0.00 0.00 0.00 0.00 19.45 19.04 2k5q n ALA 26 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2k5q h ASP 27 N 0.00 0.00 -0.22 0.00 5.19 -1.96 0.25 116.42 119.68 2k5q h ASP 27 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k5q h ASP 27 Cb 0.71 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.22 2k5q h ASP 27 CO 0.00 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.71 2k5q n ASN 28 N -3.46 1.53 0.00 6.45 4.13 -1.26 -4.51 115.26 118.14 2k5q n ASN 28 Ca -0.03 -1.82 0.00 0.00 1.68 0.00 0.00 54.58 54.41 2k5q n ASN 28 Cb 0.08 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 2k5q n ASN 28 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k5q n GLY 29 N 1.04 -1.79 3.57 7.41 0.00 0.34 -5.10 105.19 110.66 2k5q n GLY 29 Ca 0.13 0.81 -0.18 0.00 0.00 0.00 0.00 46.02 46.78 2k5q n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5q s GLN 30 N 0.00 1.82 0.00 1.61 -0.21 0.60 -4.25 119.66 119.22 2k5q s GLN 30 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.31 2k5q s GLN 30 Cb 0.00 -4.94 0.00 0.00 1.00 0.00 0.00 33.01 29.07 2k5q s GLN 30 CO 0.00 -4.39 0.00 1.17 -2.12 0.00 0.00 175.29 169.95 2k5q n LYS 31 N 8.63 0.00 -3.72 2.91 4.81 -1.26 -5.07 118.16 124.45 2k5q n LYS 31 Ca 0.44 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.63 2k5q n LYS 31 Cb 0.45 -0.39 -0.17 0.00 0.02 0.00 0.00 35.03 34.94 2k5q n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2k5q s TYR 32 N 0.00 0.66 -0.15 5.64 1.13 -1.26 -5.11 117.35 118.26 2k5q s TYR 32 Ca 0.00 -0.41 -0.04 0.00 -1.41 0.00 0.00 57.07 55.21 2k5q s TYR 32 Cb 0.00 -0.84 0.07 0.00 -1.10 0.00 0.00 41.96 40.09 2k5q s TYR 32 CO 0.00 -0.45 0.16 0.15 -2.51 0.00 0.00 175.55 172.90 2k5q s LYS 33 N 1.98 0.09 0.30 -3.49 1.02 -1.26 -4.66 119.74 113.72 2k5q s LYS 33 Ca 0.02 0.26 -0.15 0.00 0.02 0.00 0.00 55.97 56.12 2k5q s LYS 33 Cb -0.15 -1.03 -0.09 0.00 -0.52 0.00 0.00 37.83 36.05 2k5q s LYS 33 CO -0.07 -0.53 0.71 -0.51 -0.92 0.00 0.00 175.35 174.04 2k5q s ASP 34 N 2.26 6.80 0.54 2.83 1.01 -1.26 -4.90 116.67 123.94 2k5q s ASP 34 Ca 0.04 1.26 -0.17 0.00 0.71 0.00 0.00 52.55 54.39 2k5q s ASP 34 Cb -0.14 -2.36 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 2k5q s ASP 34 CO -0.09 -0.16 1.02 -0.31 0.21 0.00 0.00 175.17 175.84 2k5q s TYR 35 N -1.90 3.22 -0.08 4.23 2.02 0.17 -0.94 117.35 124.07 2k5q s TYR 35 Ca 0.52 1.50 0.05 0.00 -0.37 0.00 0.00 57.07 58.76 2k5q s TYR 35 Cb -0.11 -2.90 -0.00 0.00 -0.40 0.00 0.00 41.96 38.54 2k5q s TYR 35 CO 0.18 -0.70 -0.24 -2.00 -1.57 0.00 0.00 175.55 171.23 2k5q s GLU 36 N -3.97 2.87 -0.30 -0.62 2.12 0.08 -1.18 118.70 117.70 2k5q s GLU 36 Ca 0.62 -0.89 0.02 0.00 0.36 0.00 0.00 54.97 55.08 2k5q s GLU 36 Cb -0.13 -2.26 0.08 0.00 0.26 0.00 0.00 34.13 32.09 2k5q s GLU 36 CO 0.32 0.26 0.01 0.71 -0.54 0.00 0.00 175.26 176.01 2k5q s TYR 37 N 0.15 3.03 -0.96 5.30 2.02 0.55 -4.07 117.35 123.37 2k5q s TYR 37 Ca -0.13 -2.40 -0.15 0.00 -0.37 0.00 0.00 57.07 54.02 2k5q s TYR 37 Cb -0.16 -2.26 0.19 0.00 -0.40 0.00 0.00 41.96 39.33 2k5q s TYR 37 CO 0.07 -0.89 1.03 0.21 -1.57 0.00 0.00 175.55 174.40 2k5q s LYS 38 N 1.16 3.76 0.29 -0.62 2.20 -1.26 -1.39 119.74 123.88 2k5q s LYS 38 Ca 0.04 -2.37 0.07 0.00 -0.36 0.00 0.00 55.97 53.35 2k5q s LYS 38 Cb -0.19 -4.69 -0.03 0.00 -1.51 0.00 0.00 37.83 31.41 2k5q s LYS 38 CO -0.10 -1.50 0.23 -0.51 -0.36 0.00 0.00 175.35 173.11 2k5q s LEU 39 N 0.94 3.72 -0.26 5.43 1.43 -0.01 -4.71 118.68 125.21 2k5q s LEU 39 Ca 0.28 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.97 2k5q s LEU 39 Cb -0.07 -2.29 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 2k5q s LEU 39 CO -0.08 -0.16 0.03 -0.89 0.23 0.00 0.00 176.35 175.47 2k5q s THR 40 N -2.21 3.75 -0.18 5.49 2.01 -1.26 -0.29 115.64 122.95 2k5q s THR 40 Ca 0.36 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.67 2k5q s THR 40 Cb -0.07 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 2k5q s THR 40 CO 0.26 0.24 0.22 -0.83 -0.69 0.00 0.00 174.62 173.82 2k5q s GLY 41 N 1.50 2.13 -0.07 4.40 0.00 0.51 -4.75 107.32 111.04 2k5q s GLY 41 Ca 0.04 -0.56 -0.19 0.00 0.00 0.00 0.00 44.72 44.01 2k5q s GLY 41 CO 0.00 0.29 0.52 -1.36 0.00 0.00 0.00 173.10 172.55 2k5q s PHE 42 N 0.38 3.59 0.82 1.90 0.08 -1.26 -1.09 117.98 122.40 2k5q s PHE 42 Ca 0.13 1.02 -0.12 0.00 0.12 0.00 0.00 56.93 58.08 2k5q s PHE 42 Cb -0.12 -2.56 0.08 0.00 -0.57 0.00 0.00 43.02 39.85 2k5q s PHE 42 CO 0.01 0.26 1.14 0.34 -0.10 0.00 0.00 175.22 176.87 2k5q s ASP 43 N 0.25 4.38 0.52 1.36 2.15 0.50 -4.67 116.67 121.17 2k5q s ASP 43 Ca 0.28 0.98 0.17 0.00 0.43 0.00 0.00 52.55 54.42 2k5q s ASP 43 Cb -0.16 -1.59 1.29 0.00 -0.30 0.00 0.00 42.92 42.15 2k5q s ASP 43 CO 0.13 -2.00 2.13 0.11 -0.17 0.00 0.00 175.17 175.37 2k5q h LYS 44 N -1.12 0.00 -0.00 4.34 1.57 -1.98 0.20 116.57 119.58 2k5q h LYS 44 Ca -0.47 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2k5q h LYS 44 Cb 1.31 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2k5q h LYS 44 CO 0.63 0.00 -0.45 -3.47 -0.57 0.00 0.00 179.45 175.59 2k5q n ASP 45 N -4.52 0.66 0.00 0.86 2.03 -1.26 -4.29 116.55 110.03 2k5q n ASP 45 Ca -0.01 -0.45 0.00 0.00 0.52 0.00 0.00 54.79 54.85 2k5q n ASP 45 Cb 0.16 0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 2k5q n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5q n GLY 46 N 1.46 1.54 3.96 0.27 0.00 0.71 -4.72 105.19 108.42 2k5q n GLY 46 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 2k5q n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5q s LYS 47 N -0.47 1.98 -0.16 1.61 -0.14 -1.25 -4.68 119.74 116.62 2k5q s LYS 47 Ca 0.00 -0.72 -0.04 0.00 -1.36 0.00 0.00 55.97 53.85 2k5q s LYS 47 Cb 0.00 -2.29 -0.03 0.00 -1.68 0.00 0.00 37.83 33.83 2k5q s LYS 47 CO 0.00 -1.26 -0.04 -1.21 -0.76 0.00 0.00 175.35 172.08 2k5q s GLU 48 N -5.13 3.68 -0.00 1.68 2.02 -1.26 -0.37 118.70 119.32 2k5q s GLU 48 Ca 0.63 -0.51 0.03 0.00 0.02 0.00 0.00 54.97 55.13 2k5q s GLU 48 Cb -0.08 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 2k5q s GLU 48 CO 0.43 0.25 -0.09 0.15 0.02 0.00 0.00 175.26 176.02 2k5q s LYS 49 N 0.35 0.71 -0.39 1.61 1.02 -0.25 -4.97 119.74 117.83 2k5q s LYS 49 Ca -0.04 -0.34 -0.27 0.00 0.02 0.00 0.00 55.97 55.33 2k5q s LYS 49 Cb -0.14 -0.68 0.02 0.00 -0.52 0.00 0.00 37.83 36.51 2k5q s LYS 49 CO 0.03 0.19 1.01 -2.00 -0.92 0.00 0.00 175.35 173.66 2k5q s GLU 50 N -0.28 3.84 -1.04 1.68 2.12 -1.26 -0.37 118.70 123.39 2k5q s GLU 50 Ca 0.03 0.66 -0.11 0.00 0.36 0.00 0.00 54.97 55.91 2k5q s GLU 50 Cb -0.04 -3.82 0.26 0.00 0.26 0.00 0.00 34.13 30.79 2k5q s GLU 50 CO -0.00 -1.06 1.04 -0.51 -0.54 0.00 0.00 175.26 174.18 2k5q s LEU 51 N 3.77 6.40 -0.53 2.70 2.01 0.60 -4.92 118.68 128.71 2k5q s LEU 51 Ca 0.42 -3.34 -0.12 0.00 0.01 0.00 0.00 54.13 51.10 2k5q s LEU 51 Cb -0.11 -2.22 0.13 0.00 0.01 0.00 0.00 46.19 44.01 2k5q s LEU 51 CO 0.22 -0.38 0.44 -0.70 1.01 0.00 0.00 176.35 176.94 2k5q s GLU 52 N -0.77 2.77 0.36 1.70 2.12 -1.26 -0.83 118.70 122.79 2k5q s GLU 52 Ca 0.28 -1.79 0.04 0.00 0.36 0.00 0.00 54.97 53.85 2k5q s GLU 52 Cb -0.10 -4.12 -0.05 0.00 0.26 0.00 0.00 34.13 30.12 2k5q s GLU 52 CO -0.08 -1.26 0.08 -0.59 -0.54 0.00 0.00 175.26 172.86 2k5q s PHE 53 N 1.38 1.90 0.24 5.30 -0.71 -0.49 -4.97 117.98 120.63 2k5q s PHE 53 Ca 0.05 -1.06 0.11 0.00 -1.04 0.00 0.00 56.93 54.99 2k5q s PHE 53 Cb -0.27 -1.26 -0.05 0.00 -1.21 0.00 0.00 43.02 40.23 2k5q s PHE 53 CO 0.00 -0.08 -0.20 0.95 -1.34 0.00 0.00 175.22 174.56 2k5q s THR 54 N -3.25 2.25 -0.10 -4.49 -4.23 -1.26 -0.33 115.64 104.22 2k5q s THR 54 Ca 0.31 -2.25 -0.08 0.00 -1.18 0.00 0.00 61.69 58.48 2k5q s THR 54 Cb 0.06 -2.17 0.03 0.00 1.34 0.00 0.00 72.50 71.76 2k5q s THR 54 CO 0.14 -0.37 0.27 0.00 -0.54 0.00 0.00 174.62 174.12 2k5q s ALA 55 N -2.38 -0.65 0.28 3.99 0.00 -0.32 -4.97 121.76 117.70 2k5q s ALA 55 Ca 0.25 0.84 0.03 0.00 0.00 0.00 0.00 51.96 53.07 2k5q s ALA 55 Cb -0.05 -0.50 0.42 0.00 0.00 0.00 0.00 23.12 22.99 2k5q s ALA 55 CO 0.12 -0.15 1.73 0.37 0.00 0.00 0.00 175.76 177.83 2k5q h GLN 56 N 6.10 0.48 -5.49 0.00 4.15 -1.93 0.48 115.11 118.89 2k5q h GLN 56 Ca -0.29 -0.18 -0.43 0.00 0.77 0.00 0.00 58.65 58.52 2k5q h GLN 56 Cb 1.18 -0.03 -0.19 0.00 0.21 0.00 0.00 27.48 28.65 2k5q h GLN 56 CO 0.35 0.69 -0.77 0.15 -1.93 0.00 0.00 178.83 177.32 2k5q s LYS 57 N -4.52 1.01 0.19 1.69 1.02 -1.26 -4.33 119.74 113.55 2k5q s LYS 57 Ca -0.07 -1.20 -0.30 0.00 0.02 0.00 0.00 55.97 54.42 2k5q s LYS 57 Cb 0.14 -0.95 -0.09 0.00 -0.52 0.00 0.00 37.83 36.40 2k5q s LYS 57 CO 0.79 0.19 1.39 1.21 -0.92 0.00 0.00 175.35 178.01 2k5q s ASN 58 N -2.31 6.78 0.00 2.83 2.47 -1.26 -4.94 114.94 118.50 2k5q s ASN 58 Ca 0.07 2.48 0.00 0.00 0.42 0.00 0.00 52.86 55.84 2k5q s ASN 58 Cb -0.06 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 2k5q s ASN 58 CO 0.03 -0.64 0.00 0.00 -3.72 0.00 0.00 177.10 172.78 2k5q n LEU 59 N 2.98 0.00 -4.64 3.21 -0.00 -1.26 -5.03 117.00 112.26 2k5q n LEU 59 Ca 0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.67 2k5q n LEU 59 Cb 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.81 2k5q n LEU 59 CO 0.59 -0.19 1.66 -0.13 -0.00 0.00 0.00 177.39 179.32 2k5q s ARG 60 N 0.13 3.73 -0.02 1.47 1.81 -1.26 -4.90 118.95 119.91 2k5q s ARG 60 Ca 0.00 2.28 -0.26 0.00 -1.72 0.00 0.00 55.73 56.04 2k5q s ARG 60 Cb 0.00 -4.22 -0.20 0.00 -0.45 0.00 0.00 34.95 30.08 2k5q s ARG 60 CO 0.00 -1.41 1.24 0.87 -0.68 0.00 0.00 175.30 175.32 2k5q h LYS 61 N 12.22 -0.03 -0.73 3.54 1.57 -1.96 -3.28 116.57 127.90 2k5q h LYS 61 Ca -0.44 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 2k5q h LYS 61 Cb 1.23 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 2k5q h LYS 61 CO 0.95 0.46 0.05 0.39 -0.57 0.00 0.00 179.45 180.74 2k5q n GLU 62 N -4.87 3.64 -3.66 3.15 1.02 -1.26 -4.00 120.64 114.66 2k5q n GLU 62 Ca -0.08 -2.28 -0.25 0.00 -0.02 0.00 0.00 57.16 54.53 2k5q n GLU 62 Cb 0.26 -2.04 0.02 0.00 -0.02 0.00 0.00 31.44 29.65 2k5q n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k5q s ALA 63 N -2.29 4.58 0.29 0.62 0.00 -1.24 -4.93 121.76 118.79 2k5q s ALA 63 Ca 0.40 -1.44 0.09 0.00 0.00 0.00 0.00 51.96 51.01 2k5q s ALA 63 Cb 0.31 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 2k5q s ALA 63 CO 0.11 -0.61 0.03 -0.06 0.00 0.00 0.00 175.76 175.23 2k5q s PHE 64 N -2.78 2.66 -0.09 0.00 0.40 0.03 -3.81 117.98 114.40 2k5q s PHE 64 Ca 0.41 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 2k5q s PHE 64 Cb -0.03 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.18 2k5q s PHE 64 CO 0.26 0.54 -0.07 -0.51 0.70 0.00 0.00 175.22 176.13 2k5q s LEU 65 N -3.71 1.24 -0.96 -0.37 1.43 0.33 -0.05 118.68 116.59 2k5q s LEU 65 Ca 0.33 -0.25 -0.23 0.00 -1.03 0.00 0.00 54.13 52.96 2k5q s LEU 65 Cb -0.04 -0.73 0.06 0.00 0.03 0.00 0.00 46.19 45.51 2k5q s LEU 65 CO 0.20 -0.08 1.36 -0.13 0.23 0.00 0.00 176.35 177.93 2k5q s ARG 66 N 1.37 3.53 -0.07 1.70 0.52 -0.07 -1.88 118.95 124.07 2k5q s ARG 66 Ca -0.02 -1.13 -0.25 0.00 -0.52 0.00 0.00 55.73 53.81 2k5q s ARG 66 Cb -0.14 -5.12 -0.03 0.00 0.52 0.00 0.00 34.95 30.18 2k5q s ARG 66 CO -0.04 -2.11 0.77 0.08 0.02 0.00 0.00 175.30 174.02 2k5q s VAL 67 N 4.62 5.00 0.27 3.52 1.01 -0.53 -2.70 120.40 131.57 2k5q s VAL 67 Ca 0.42 1.58 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 2k5q s VAL 67 Cb -0.02 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 2k5q s VAL 67 CO -0.07 0.21 1.28 -0.47 0.00 0.00 0.00 175.10 176.05 2k5q s TYR 68 N 1.00 3.22 0.00 5.22 5.04 -0.52 -0.94 117.35 130.38 2k5q s TYR 68 Ca 0.40 1.37 -0.03 0.00 -2.44 0.00 0.00 57.07 56.38 2k5q s TYR 68 Cb -0.18 -3.59 -0.01 0.00 0.35 0.00 0.00 41.96 38.53 2k5q s TYR 68 CO 0.19 -1.67 0.04 -1.58 -1.34 0.00 0.00 175.55 171.19 2k5q s HIS 69 N -0.61 0.12 0.00 4.97 2.46 0.15 -3.99 115.29 118.39 2k5q s HIS 69 Ca 0.52 -0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.79 2k5q s HIS 69 Cb -0.37 -0.10 0.00 0.00 -0.13 0.00 0.00 32.58 31.98 2k5q s HIS 69 CO 0.45 -0.18 0.00 0.43 -2.47 0.00 0.00 174.74 172.97 2k5q n SER 70 N 1.91 0.00 -0.13 9.88 7.64 -1.25 -1.84 113.62 129.82 2k5q n SER 70 Ca -0.21 -0.91 0.13 0.00 1.01 0.00 0.00 58.87 58.90 2k5q n SER 70 Cb 0.56 0.00 0.50 0.00 -1.01 0.00 0.00 64.21 64.26 2k5q n SER 70 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2k5q h ASP 71 N 0.00 0.39 0.68 6.43 5.19 -2.02 0.53 116.42 127.62 2k5q h ASP 71 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2k5q h ASP 71 Cb 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.44 2k5q h ASP 71 CO 0.00 0.22 0.00 2.29 -3.12 0.00 0.00 179.24 178.63 2k5q n LYS 72 N -4.47 0.20 0.00 3.56 2.85 -1.26 -4.92 118.16 114.12 2k5q n LYS 72 Ca 0.12 0.45 0.00 0.00 -1.05 0.00 0.00 58.31 57.83 2k5q n LYS 72 Cb 0.45 -1.89 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 2k5q n LYS 72 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2k5q n LYS 73 N -2.26 0.00 0.00 -1.58 4.81 0.18 -4.88 118.16 114.42 2k5q n LYS 73 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2k5q n LYS 73 Cb 0.22 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.27 2k5q n LYS 73 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k5q n GLY 74 N 0.00 0.28 2.06 3.14 0.00 -1.26 -3.86 105.19 105.55 2k5q n GLY 74 Ca 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 46.02 46.73 2k5q n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k5q n VAL 75 N 0.00 -8.93 0.00 1.61 0.31 -1.26 -5.07 118.33 105.00 2k5q n VAL 75 Ca 0.00 1.74 0.00 0.00 -0.01 0.00 0.00 64.34 66.07 2k5q n VAL 75 Cb 0.00 -5.21 0.00 0.00 -0.91 0.00 0.00 33.84 27.72 2k5q n VAL 75 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2k5q n SER 76 N 1.04 2.60 -4.18 4.52 3.41 -1.26 -5.07 113.62 114.68 2k5q n SER 76 Ca -0.19 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.22 2k5q n SER 76 Cb 0.29 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 2k5q n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k5q s ALA 77 N -1.86 1.26 0.02 7.33 0.00 -1.26 -5.06 121.76 122.19 2k5q s ALA 77 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 2k5q s ALA 77 Cb 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.98 2k5q s ALA 77 CO 0.00 0.22 0.24 1.67 0.00 0.00 0.00 175.76 177.89 2k5q s TRP 78 N -1.09 -0.06 0.09 0.00 1.48 -1.26 -1.44 118.94 116.67 2k5q s TRP 78 Ca 0.01 -0.02 0.07 0.00 -1.06 0.00 0.00 56.10 55.10 2k5q s TRP 78 Cb -0.09 0.03 -0.03 0.00 -1.16 0.00 0.00 33.47 32.22 2k5q s TRP 78 CO 0.02 -0.41 -0.19 -1.21 -4.06 0.00 0.00 176.95 171.11 2k5q s GLU 79 N -1.94 1.05 -0.50 3.25 0.41 -1.10 -4.95 118.70 114.92 2k5q s GLU 79 Ca -0.10 -1.08 -0.25 0.00 -0.41 0.00 0.00 54.97 53.13 2k5q s GLU 79 Cb -0.04 -1.22 0.03 0.00 -1.78 0.00 0.00 34.13 31.12 2k5q s GLU 79 CO -0.00 0.28 0.96 -1.21 -0.49 0.00 0.00 175.26 174.80 2k5q s GLU 80 N -1.79 3.47 0.44 1.61 2.02 -1.26 -0.89 118.70 122.29 2k5q s GLU 80 Ca 0.04 0.03 0.07 0.00 0.02 0.00 0.00 54.97 55.13 2k5q s GLU 80 Cb -0.10 -3.98 -0.03 0.00 0.10 0.00 0.00 34.13 30.13 2k5q s GLU 80 CO 0.03 -1.35 0.25 0.14 0.02 0.00 0.00 175.26 174.35 2k5q s VAL 81 N 3.93 2.21 0.37 2.63 -7.23 0.93 -4.96 120.40 118.28 2k5q s VAL 81 Ca 0.35 -1.61 0.08 0.00 -1.81 0.00 0.00 61.98 59.00 2k5q s VAL 81 Cb -0.11 -2.82 -0.07 0.00 0.56 0.00 0.00 36.38 33.95 2k5q s VAL 81 CO 0.24 0.00 -0.00 -0.54 -0.31 0.00 0.00 175.10 174.49 2k5q s LYS 82 N -4.01 1.98 0.30 4.82 1.02 -1.26 -0.79 119.74 121.81 2k5q s LYS 82 Ca 0.39 -1.93 0.21 0.00 0.02 0.00 0.00 55.97 54.66 2k5q s LYS 82 Cb 0.01 -1.78 1.12 0.00 -0.52 0.00 0.00 37.83 36.66 2k5q s LYS 82 CO 0.22 0.05 1.64 0.36 -0.92 0.00 0.00 175.35 176.70 2k5q n LYS 83 N -0.94 0.14 -0.24 1.68 0.00 -1.26 -3.06 118.16 114.48 2k5q n LYS 83 Ca -0.04 0.62 0.01 0.00 -0.00 0.00 0.00 58.31 58.90 2k5q n LYS 83 Cb 0.64 -1.94 0.24 0.00 -0.00 0.00 0.00 35.03 33.98 2k5q n LYS 83 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2k5q h ASP 84 N 0.00 0.88 -0.20 -5.58 3.58 -2.01 -0.39 116.42 112.70 2k5q h ASP 84 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2k5q h ASP 84 Cb 0.03 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.86 2k5q h ASP 84 CO 0.00 0.62 0.00 -1.84 -2.88 0.00 0.00 179.24 175.14 2k5q n GLU 85 N -4.43 1.99 -2.78 0.28 0.28 -1.17 -4.36 120.64 110.44 2k5q n GLU 85 Ca 0.09 -1.48 -0.14 0.00 -0.16 0.00 0.00 57.16 55.47 2k5q n GLU 85 Cb 0.07 -1.44 0.01 0.00 1.43 0.00 0.00 31.44 31.50 2k5q n GLU 85 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2k5q n LEU 86 N 0.72 1.85 -4.71 -1.84 4.77 -0.19 -5.07 117.00 112.54 2k5q n LEU 86 Ca 0.17 -4.32 -0.29 0.00 -0.03 0.00 0.00 56.01 51.55 2k5q n LEU 86 Cb 0.43 0.34 0.18 0.00 -2.33 0.00 0.00 43.42 42.04 2k5q n LEU 86 CO 0.14 1.86 0.67 -2.84 -1.33 0.00 0.00 177.39 175.90 2k5q s PRO 87 N -3.02 0.26 0.36 3.23 0.02 -1.02 -4.85 135.00 129.98 2k5q s PRO 87 Ca 0.34 0.25 0.10 0.00 0.02 0.00 0.00 61.00 61.70 2k5q s PRO 87 Cb 0.42 -1.74 0.84 0.00 0.02 0.00 0.00 34.50 34.03 2k5q s PRO 87 CO -0.03 -2.78 1.86 0.00 -0.33 0.00 0.00 177.00 175.72 2k5q h ALA 88 N -1.92 1.86 -0.08 -1.55 0.00 -1.98 -0.61 119.26 114.97 2k5q h ALA 88 Ca -0.51 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.45 2k5q h ALA 88 Cb 1.32 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k5q h ALA 88 CO 0.53 -0.12 0.11 1.57 0.00 0.00 0.00 179.25 181.34 2k5q h LYS 89 N 0.67 0.00 0.06 0.00 2.10 -1.99 0.40 116.57 117.82 2k5q h LYS 89 Ca 0.46 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.11 2k5q h LYS 89 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 2k5q h LYS 89 CO -0.22 0.00 -0.03 0.28 -2.00 0.00 0.00 179.45 177.48 2k5q h VAL 90 N 0.00 0.68 0.00 0.07 2.07 -1.44 -3.30 116.25 114.32 2k5q h VAL 90 Ca 0.04 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2k5q h VAL 90 Cb 0.26 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2k5q h VAL 90 CO -0.00 0.22 0.00 2.29 0.02 0.00 0.00 177.57 180.10 2k5q n LYS 91 N -4.79 0.30 -0.09 1.57 2.85 -0.98 -2.29 118.16 114.74 2k5q n LYS 91 Ca -0.05 0.10 -0.09 0.00 -1.05 0.00 0.00 58.31 57.22 2k5q n LYS 91 Cb 0.20 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.06 2k5q n LYS 91 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2k5q h GLU 92 N 0.00 0.41 0.00 -1.58 4.81 -0.29 -3.38 114.58 114.56 2k5q h GLU 92 Ca 0.00 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2k5q h GLU 92 Cb 0.13 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2k5q h GLU 92 CO 0.00 0.35 -1.39 1.63 -0.73 0.00 0.00 179.01 178.87 2k5q n LYS 93 N -4.82 0.54 -1.99 1.92 4.01 -1.10 -5.10 118.16 111.62 2k5q n LYS 93 Ca -0.02 0.33 -0.01 0.00 -0.51 0.00 0.00 58.31 58.10 2k5q n LYS 93 Cb 0.07 -1.53 -0.01 0.00 -0.51 0.00 0.00 35.03 33.05 2k5q n LYS 93 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2k5q n LEU 94 N -4.43 -4.85 0.00 -0.35 4.77 -0.97 -4.52 117.00 106.66 2k5q n LEU 94 Ca -0.27 1.70 0.00 0.00 -0.03 0.00 0.00 56.01 57.41 2k5q n LEU 94 Cb 0.60 -2.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.24 2k5q n LEU 94 CO 0.14 -2.15 0.00 0.61 -1.33 0.00 0.00 177.39 174.66 2k5q n GLY 95 N 1.14 1.49 3.74 -0.72 0.00 -1.26 -4.89 105.19 104.70 2k5q n GLY 95 Ca -0.11 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2k5q n GLY 95 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k5q n VAL 96 N 0.00 1.86 -4.01 1.61 0.31 -1.26 -4.97 118.33 111.87 2k5q n VAL 96 Ca 0.00 -0.46 -0.31 0.00 -0.01 0.00 0.00 64.34 63.55 2k5q n VAL 96 Cb 0.00 -1.82 -0.15 0.00 -0.91 0.00 0.00 33.84 30.96 2k5q n VAL 96 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2k5q s LYS 97 N -1.80 1.73 -0.24 5.55 -0.14 -1.26 -4.98 119.74 118.61 2k5q s LYS 97 Ca 0.56 -1.51 -0.02 0.00 -1.36 0.00 0.00 55.97 53.63 2k5q s LYS 97 Cb -0.52 -2.93 0.08 0.00 -1.68 0.00 0.00 37.83 32.78 2k5q s LYS 97 CO 0.61 -0.76 0.07 -0.48 -0.76 0.00 0.00 175.35 174.03 2k5q s LEU 98 N 1.09 1.38 -0.13 3.17 2.34 -1.26 -5.03 118.68 120.24 2k5q s LEU 98 Ca 0.01 -1.11 -0.20 0.00 0.06 0.00 0.00 54.13 52.89 2k5q s LEU 98 Cb -0.19 -0.63 -0.18 0.00 -0.56 0.00 0.00 46.19 44.62 2k5q s LEU 98 CO -0.08 -0.36 0.56 -0.33 -1.06 0.00 0.00 176.35 175.08 2k5q h GLU 99 N 8.23 -0.01 -3.99 1.48 3.07 -2.06 -3.48 114.58 117.82 2k5q h GLU 99 Ca -0.16 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.54 2k5q h GLU 99 Cb 1.08 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.78 2k5q h GLU 99 CO 0.39 0.69 -0.69 -1.01 -1.40 0.00 0.00 179.01 176.99 2k5q s HIS 100 N -2.08 0.28 0.03 4.33 3.76 -1.26 -5.15 115.29 115.20 2k5q s HIS 100 Ca -0.13 -0.58 -0.27 0.00 -0.15 0.00 0.00 55.06 53.93 2k5q s HIS 100 Cb -0.02 -0.21 -0.04 0.00 1.11 0.00 0.00 32.58 33.42 2k5q s HIS 100 CO 0.49 -0.22 0.86 -1.01 -0.85 0.00 0.00 174.74 174.01 2k5q s HIS 101 N -1.75 3.70 -0.31 1.40 3.76 -1.26 -5.04 115.29 115.79 2k5q s HIS 101 Ca -0.13 1.57 -0.02 0.00 -0.15 0.00 0.00 55.06 56.33 2k5q s HIS 101 Cb -0.08 -2.96 0.11 0.00 1.11 0.00 0.00 32.58 30.76 2k5q s HIS 101 CO -0.02 0.14 0.13 -1.01 -0.85 0.00 0.00 174.74 173.13 2k5q s HIS 102 N 0.42 0.90 0.36 1.40 3.76 -1.26 -5.02 115.29 115.86 2k5q s HIS 102 Ca 0.44 -1.32 0.08 0.00 -0.15 0.00 0.00 55.06 54.11 2k5q s HIS 102 Cb -0.21 -1.22 0.70 0.00 1.11 0.00 0.00 32.58 32.96 2k5q s HIS 102 CO 0.25 -0.84 1.87 1.25 -0.85 0.00 0.00 174.74 176.42 2k5q h HIS 103 N 8.07 0.29 -1.50 1.40 2.76 -2.10 -3.46 115.15 120.61 2k5q h HIS 103 Ca -0.14 -0.04 0.28 0.00 -2.20 0.00 0.00 60.37 58.27 2k5q h HIS 103 Cb 1.00 -0.08 -0.16 0.00 1.55 0.00 0.00 27.41 29.72 2k5q h HIS 103 CO 0.34 0.44 0.80 -3.38 -1.30 0.00 0.00 177.93 174.83 2k5q s HIS 104 N -4.65 -0.10 -2.62 5.26 -3.43 -1.26 -5.37 115.29 103.12 2k5q s HIS 104 Ca -0.06 0.02 0.21 0.00 -0.80 0.00 0.00 55.06 54.43 2k5q s HIS 104 Cb 0.15 0.53 0.17 0.00 -1.43 0.00 0.00 32.58 32.00 2k5q s HIS 104 CO 0.74 -0.25 1.16 0.72 -2.00 0.00 0.00 174.74 175.11