#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 7.17 -0.00 7.83 1.11 -1.26 -4.83 116.67 126.69 2k5q s ASP 2 Ca 0.00 -3.23 0.01 0.00 0.18 0.00 0.00 52.55 49.51 2k5q s ASP 2 Cb 0.00 -2.33 0.04 0.00 1.07 0.00 0.00 42.92 41.70 2k5q s ASP 2 CO 0.00 -0.57 0.91 0.18 1.18 0.00 0.00 175.17 176.87 2k5q n LEU 3 N 4.56 0.48 -0.69 1.23 4.77 -1.26 -3.27 117.00 122.82 2k5q n LEU 3 Ca 0.32 -0.24 0.07 0.00 -0.03 0.00 0.00 56.01 56.13 2k5q n LEU 3 Cb 0.41 -0.15 0.19 0.00 -2.33 0.00 0.00 43.42 41.54 2k5q n LEU 3 CO 0.57 0.11 0.65 0.59 -1.33 0.00 0.00 177.39 177.98 2k5q n ASN 4 N -0.28 3.25 0.00 -1.43 3.02 -1.26 -4.46 115.26 114.11 2k5q n ASN 4 Ca 0.01 -2.46 0.00 0.00 -0.03 0.00 0.00 54.58 52.11 2k5q n ASN 4 Cb 0.10 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 2k5q n ASN 4 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2k5q n ARG 5 N -0.03 1.66 -0.55 3.52 1.74 -1.20 -4.82 116.66 116.97 2k5q n ARG 5 Ca 0.15 -1.08 0.02 0.00 -0.77 0.00 0.00 57.85 56.18 2k5q n ARG 5 Cb 0.62 -0.87 0.03 0.00 -1.02 0.00 0.00 32.46 31.22 2k5q n ARG 5 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k5q n MET 6 N -0.30 0.21 -1.58 5.56 0.00 -1.26 -3.28 117.12 116.47 2k5q n MET 6 Ca 0.00 -1.38 -0.40 0.00 0.00 0.00 0.00 57.70 55.92 2k5q n MET 6 Cb 0.27 -0.61 -0.04 0.00 0.00 0.00 0.00 33.22 32.84 2k5q n MET 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k5q n GLY 7 N -0.17 2.66 3.77 3.17 0.00 -1.26 -4.93 105.19 108.44 2k5q n GLY 7 Ca 0.03 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 2k5q n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5q s LYS 8 N 4.83 3.95 0.18 1.61 -2.85 -1.24 -4.66 119.74 121.56 2k5q s LYS 8 Ca 0.57 1.85 -0.21 0.00 -1.00 0.00 0.00 55.97 57.18 2k5q s LYS 8 Cb 0.11 -2.60 0.07 0.00 -2.06 0.00 0.00 37.83 33.35 2k5q s LYS 8 CO 0.08 -0.41 1.01 -3.47 0.10 0.00 0.00 175.35 172.65 2k5q n ASP 9 N -0.09 -1.68 -4.02 0.03 -0.08 -1.25 -4.88 116.55 104.57 2k5q n ASP 9 Ca 0.05 -1.87 -0.31 0.00 -1.51 0.00 0.00 54.79 51.15 2k5q n ASP 9 Cb 0.47 2.73 -0.16 0.00 2.34 0.00 0.00 41.12 46.50 2k5q n ASP 9 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2k5q s GLU 10 N -2.05 2.18 -0.03 -0.67 -1.05 -1.25 -1.06 118.70 114.76 2k5q s GLU 10 Ca 0.22 -0.95 -0.17 0.00 -0.15 0.00 0.00 54.97 53.93 2k5q s GLU 10 Cb -0.03 -2.54 -0.05 0.00 -0.44 0.00 0.00 34.13 31.07 2k5q s GLU 10 CO 0.05 -0.44 0.46 0.71 0.95 0.00 0.00 175.26 176.99 2k5q s TYR 11 N 1.32 3.66 -0.57 4.83 1.51 -0.64 -4.84 117.35 122.62 2k5q s TYR 11 Ca -0.02 0.99 -0.18 0.00 -1.01 0.00 0.00 57.07 56.85 2k5q s TYR 11 Cb -0.17 -2.42 0.11 0.00 -0.11 0.00 0.00 41.96 39.38 2k5q s TYR 11 CO -0.08 0.45 0.62 0.71 -1.11 0.00 0.00 175.55 176.15 2k5q s TYR 12 N -0.43 3.09 0.10 2.71 1.51 -1.26 -1.98 117.35 121.09 2k5q s TYR 12 Ca 0.25 -1.08 0.10 0.00 -1.01 0.00 0.00 57.07 55.33 2k5q s TYR 12 Cb -0.16 -3.92 -0.04 0.00 -0.11 0.00 0.00 41.96 37.73 2k5q s TYR 12 CO 0.13 -1.18 -0.26 0.14 -1.11 0.00 0.00 175.55 173.27 2k5q s VAL 13 N 2.27 2.13 0.14 0.71 -7.23 -0.84 -4.81 120.40 112.76 2k5q s VAL 13 Ca 0.08 -1.60 -0.08 0.00 -1.81 0.00 0.00 61.98 58.57 2k5q s VAL 13 Cb -0.26 -1.87 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 2k5q s VAL 13 CO 0.05 0.16 0.44 -1.58 -0.31 0.00 0.00 175.10 173.85 2k5q s GLN 14 N -1.76 3.73 -0.76 4.82 -0.44 -1.26 -0.39 119.66 123.60 2k5q s GLN 14 Ca 0.12 0.13 -0.26 0.00 -2.50 0.00 0.00 55.36 52.85 2k5q s GLN 14 Cb -0.10 -2.85 -0.07 0.00 -1.64 0.00 0.00 33.01 28.35 2k5q s GLN 14 CO 0.04 0.46 2.13 0.42 0.50 0.00 0.00 175.29 178.85 2k5q s ILE 15 N -1.60 3.24 -0.10 -2.34 -1.09 -1.22 -4.79 121.20 113.29 2k5q s ILE 15 Ca 0.40 -0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.70 2k5q s ILE 15 Cb -0.13 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.18 2k5q s ILE 15 CO 0.21 -0.54 0.02 0.71 -1.23 0.00 0.00 174.94 174.11 2k5q h THR 16 N 7.38 0.05 -3.22 2.92 1.35 -1.90 -3.47 112.91 116.02 2k5q h THR 16 Ca -0.04 -1.04 -0.67 0.00 -0.55 0.00 0.00 66.41 64.11 2k5q h THR 16 Cb 1.07 0.09 -0.33 0.00 -1.73 0.00 0.00 68.15 67.25 2k5q h THR 16 CO 1.14 0.02 -0.86 0.68 -0.25 0.00 0.00 175.52 176.25 2k5q s VAL 17 N -1.58 2.15 0.22 6.82 -7.23 -1.26 -5.13 120.40 114.38 2k5q s VAL 17 Ca -0.01 -0.95 0.04 0.00 -1.81 0.00 0.00 61.98 59.25 2k5q s VAL 17 Cb -0.00 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 2k5q s VAL 17 CO 0.02 0.55 -0.01 1.51 -0.31 0.00 0.00 175.10 176.86 2k5q s ASP 18 N 0.78 1.81 0.00 4.85 -4.77 -1.26 -4.33 116.67 113.75 2k5q s ASP 18 Ca -0.08 -1.20 0.00 0.00 -3.30 0.00 0.00 52.55 47.98 2k5q s ASP 18 Cb -0.16 0.01 0.00 0.00 -1.09 0.00 0.00 42.92 41.68 2k5q s ASP 18 CO -0.01 -0.49 0.00 0.61 0.70 0.00 0.00 175.17 175.98 2k5q n GLY 19 N -0.39 0.29 3.55 2.12 0.00 -1.26 -4.93 105.19 104.58 2k5q n GLY 19 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.87 2.52 -0.51 1.61 1.02 -1.25 -4.88 119.74 117.37 2k5q s LYS 20 Ca 0.00 0.30 -0.28 0.00 0.02 0.00 0.00 55.97 56.01 2k5q s LYS 20 Cb 0.00 -4.68 0.01 0.00 -0.52 0.00 0.00 37.83 32.64 2k5q s LYS 20 CO 0.00 -3.10 1.46 -1.21 -0.92 0.00 0.00 175.35 171.58 2k5q s GLU 21 N 7.20 3.33 -1.15 1.68 2.02 -1.25 -0.06 118.70 130.47 2k5q s GLU 21 Ca 0.71 0.63 -0.18 0.00 0.02 0.00 0.00 54.97 56.16 2k5q s GLU 21 Cb -0.11 -4.12 0.10 0.00 0.10 0.00 0.00 34.13 30.11 2k5q s GLU 21 CO 0.12 -1.88 1.48 0.14 0.02 0.00 0.00 175.26 175.14 2k5q s VAL 22 N 6.11 4.44 -2.20 2.63 -7.23 0.23 -4.72 120.40 119.66 2k5q s VAL 22 Ca 0.57 -1.82 0.18 0.00 -1.81 0.00 0.00 61.98 59.10 2k5q s VAL 22 Cb -0.12 -5.02 0.42 0.00 0.56 0.00 0.00 36.38 32.22 2k5q s VAL 22 CO 0.27 -1.80 1.47 0.00 -0.31 0.00 0.00 175.10 174.73 2k5q n HIS 23 N 7.40 0.28 0.30 2.82 1.44 -1.26 -3.98 115.22 122.22 2k5q n HIS 23 Ca 0.38 -0.14 0.18 0.00 -2.01 0.00 0.00 57.72 56.13 2k5q n HIS 23 Cb 0.47 0.00 0.90 0.00 0.12 0.00 0.00 29.99 31.47 2k5q n HIS 23 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2k5q h SER 24 N 2.18 0.00 -0.76 4.39 0.87 -1.94 -2.37 113.55 115.92 2k5q h SER 24 Ca 0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 2k5q h SER 24 Cb 0.48 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.25 2k5q h SER 24 CO 0.00 0.00 0.36 0.29 -0.53 0.00 0.00 176.83 176.95 2k5q n LYS 25 N -2.89 2.80 -3.55 2.24 4.76 -1.26 -4.79 118.16 115.48 2k5q n LYS 25 Ca -0.01 -3.06 -0.29 0.00 -2.87 0.00 0.00 58.31 52.07 2k5q n LYS 25 Cb 0.15 -2.12 -0.14 0.00 -1.84 0.00 0.00 35.03 31.08 2k5q n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k5q s ALA 26 N -3.15 0.82 -0.20 7.82 0.00 -0.89 -5.10 121.76 121.05 2k5q s ALA 26 Ca 0.54 -1.32 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 2k5q s ALA 26 Cb 0.45 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 2k5q s ALA 26 CO 0.10 -1.74 0.63 -0.51 0.00 0.00 0.00 175.76 174.24 2k5q s ASP 27 N 1.83 6.68 -0.15 0.00 1.01 -1.26 -3.83 116.67 120.95 2k5q s ASP 27 Ca 0.11 0.82 0.00 0.00 0.71 0.00 0.00 52.55 54.19 2k5q s ASP 27 Cb -0.18 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.41 2k5q s ASP 27 CO -0.28 -0.27 0.00 0.59 0.21 0.00 0.00 175.17 175.41 2k5q n ASN 28 N 5.07 -5.39 -2.54 0.27 5.03 -1.26 -4.66 115.26 111.79 2k5q n ASN 28 Ca -0.01 0.03 -0.02 0.00 0.87 0.00 0.00 54.58 55.45 2k5q n ASN 28 Cb 0.50 -3.01 0.11 0.00 -1.02 0.00 0.00 39.78 36.36 2k5q n ASN 28 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k5q n GLY 29 N 0.13 1.93 3.57 7.41 0.00 -1.26 -5.08 105.19 111.90 2k5q n GLY 29 Ca -0.01 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2k5q n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k5q s GLN 30 N 0.11 3.14 0.00 1.61 0.00 -1.25 -4.56 119.66 118.71 2k5q s GLN 30 Ca 0.08 -1.05 0.14 0.00 -0.00 0.00 0.00 55.36 54.54 2k5q s GLN 30 Cb 0.41 -5.28 -0.05 0.00 0.00 0.00 0.00 33.01 28.09 2k5q s GLN 30 CO -0.12 -2.92 0.72 1.63 0.00 0.00 0.00 175.29 174.60 2k5q n LYS 31 N 8.66 2.02 -4.51 9.60 5.02 -1.26 -5.00 118.16 132.70 2k5q n LYS 31 Ca 0.41 -0.51 -0.21 0.00 -2.02 0.00 0.00 58.31 55.97 2k5q n LYS 31 Cb 0.48 -1.20 -0.14 0.00 -0.02 0.00 0.00 35.03 34.15 2k5q n LYS 31 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2k5q s TYR 32 N -1.92 1.19 -0.28 2.13 1.13 -1.26 -5.14 117.35 113.19 2k5q s TYR 32 Ca 0.10 -0.27 -0.16 0.00 -1.41 0.00 0.00 57.07 55.33 2k5q s TYR 32 Cb 0.11 -0.74 0.11 0.00 -1.10 0.00 0.00 41.96 40.34 2k5q s TYR 32 CO 0.42 -0.00 0.80 -1.59 -2.51 0.00 0.00 175.55 172.67 2k5q s LYS 33 N -0.60 0.58 0.79 -3.49 -2.85 -1.26 -4.65 119.74 108.25 2k5q s LYS 33 Ca 0.04 1.02 -0.07 0.00 -1.00 0.00 0.00 55.97 55.96 2k5q s LYS 33 Cb -0.06 0.15 0.13 0.00 -2.06 0.00 0.00 37.83 35.99 2k5q s LYS 33 CO 0.00 -0.13 1.10 -0.51 0.10 0.00 0.00 175.35 175.92 2k5q s ASP 34 N 1.60 4.11 -0.40 0.03 1.11 -1.26 -4.68 116.67 117.18 2k5q s ASP 34 Ca -0.09 0.09 -0.10 0.00 0.18 0.00 0.00 52.55 52.63 2k5q s ASP 34 Cb -0.05 -0.46 0.05 0.00 1.07 0.00 0.00 42.92 43.54 2k5q s ASP 34 CO -0.18 -2.05 0.24 -0.31 1.18 0.00 0.00 175.17 174.05 2k5q s TYR 35 N -3.41 3.28 0.27 4.23 2.02 -0.95 -0.60 117.35 122.19 2k5q s TYR 35 Ca 0.67 -1.22 -0.29 0.00 -0.37 0.00 0.00 57.07 55.85 2k5q s TYR 35 Cb -0.07 -2.70 -0.09 0.00 -0.40 0.00 0.00 41.96 38.70 2k5q s TYR 35 CO 0.47 -0.75 1.02 -2.00 -1.57 0.00 0.00 175.55 172.72 2k5q s GLU 36 N 1.50 4.72 -0.39 -0.62 2.12 0.91 -0.39 118.70 126.54 2k5q s GLU 36 Ca 0.02 1.62 0.03 0.00 0.36 0.00 0.00 54.97 57.01 2k5q s GLU 36 Cb -0.21 -3.18 0.11 0.00 0.26 0.00 0.00 34.13 31.11 2k5q s GLU 36 CO 0.05 0.34 0.12 0.71 -0.54 0.00 0.00 175.26 175.94 2k5q s TYR 37 N -1.22 3.28 -0.99 5.30 1.51 0.52 -3.79 117.35 121.96 2k5q s TYR 37 Ca 0.44 -2.88 -0.23 0.00 -1.01 0.00 0.00 57.07 53.39 2k5q s TYR 37 Cb -0.28 -2.70 0.05 0.00 -0.11 0.00 0.00 41.96 38.92 2k5q s TYR 37 CO 0.35 -0.88 1.42 0.21 -1.11 0.00 0.00 175.55 175.55 2k5q s LYS 38 N 0.62 3.56 -0.18 -0.62 2.47 -1.26 -2.78 119.74 121.55 2k5q s LYS 38 Ca 0.13 -1.09 -0.02 0.00 -1.56 0.00 0.00 55.97 53.43 2k5q s LYS 38 Cb -0.21 -5.25 -0.01 0.00 -1.46 0.00 0.00 37.83 30.90 2k5q s LYS 38 CO -0.07 -2.18 -0.09 -0.51 0.16 0.00 0.00 175.35 172.66 2k5q s LEU 39 N 4.91 2.76 -0.38 5.43 1.43 0.09 -4.58 118.68 128.33 2k5q s LEU 39 Ca 0.44 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 52.88 2k5q s LEU 39 Cb -0.01 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.56 2k5q s LEU 39 CO -0.08 0.05 1.03 -0.89 0.23 0.00 0.00 176.35 176.69 2k5q s THR 40 N 1.02 4.47 -0.05 5.49 2.01 -1.26 -0.67 115.64 126.64 2k5q s THR 40 Ca -0.01 1.40 -0.07 0.00 0.31 0.00 0.00 61.69 63.32 2k5q s THR 40 Cb -0.15 -4.43 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2k5q s THR 40 CO -0.01 -0.63 0.21 -0.83 -0.69 0.00 0.00 174.62 172.67 2k5q s GLY 41 N 1.93 2.22 -0.41 4.40 0.00 0.09 -4.90 107.32 110.65 2k5q s GLY 41 Ca 0.43 -0.60 -0.10 0.00 0.00 0.00 0.00 44.72 44.45 2k5q s GLY 41 CO 0.21 -0.38 0.24 -1.36 0.00 0.00 0.00 173.10 171.81 2k5q s PHE 42 N -1.16 3.30 0.39 1.90 0.40 -1.26 -0.64 117.98 120.91 2k5q s PHE 42 Ca 0.22 -1.35 -0.07 0.00 -0.60 0.00 0.00 56.93 55.12 2k5q s PHE 42 Cb -0.13 -2.80 -0.05 0.00 0.51 0.00 0.00 43.02 40.55 2k5q s PHE 42 CO 0.11 -0.79 0.70 0.34 0.70 0.00 0.00 175.22 176.27 2k5q s ASP 43 N 1.96 6.42 0.00 1.36 2.15 0.12 -4.63 116.67 124.06 2k5q s ASP 43 Ca 0.02 0.91 0.00 0.00 0.43 0.00 0.00 52.55 53.91 2k5q s ASP 43 Cb -0.22 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2k5q s ASP 43 CO 0.03 -0.38 0.00 1.17 -0.17 0.00 0.00 175.17 175.83 2k5q n LYS 44 N -1.48 0.00 0.00 4.34 0.00 -1.26 -2.20 118.16 117.56 2k5q n LYS 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2k5q n LYS 44 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.57 2k5q n LYS 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2k5q n ASP 45 N 2.17 0.00 -0.65 3.14 2.03 -1.26 -5.01 116.55 116.97 2k5q n ASP 45 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 2k5q n ASP 45 Cb 0.00 0.16 -0.02 0.00 -0.72 0.00 0.00 41.12 40.54 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 -0.61 0.85 3.61 0.27 0.00 -1.15 -5.04 105.19 103.12 2k5q n GLY 46 Ca 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.04 -0.14 1.61 -0.14 -0.94 -4.87 119.74 119.30 2k5q s LYS 47 Ca 0.00 0.37 -0.13 0.00 -1.36 0.00 0.00 55.97 54.86 2k5q s LYS 47 Cb 0.00 -3.67 -0.05 0.00 -1.68 0.00 0.00 37.83 32.43 2k5q s LYS 47 CO -0.00 -0.42 0.27 -1.83 -0.76 0.00 0.00 175.35 172.61 2k5q s GLU 48 N 2.43 4.09 0.11 1.68 -1.05 -1.26 0.16 118.70 124.87 2k5q s GLU 48 Ca 0.23 0.07 0.06 0.00 -0.15 0.00 0.00 54.97 55.18 2k5q s GLU 48 Cb -0.15 -3.37 -0.04 0.00 -0.44 0.00 0.00 34.13 30.13 2k5q s GLU 48 CO 0.09 0.38 -0.15 0.15 0.95 0.00 0.00 175.26 176.68 2k5q s LYS 49 N 0.06 1.01 -0.40 -4.83 1.02 0.19 -4.97 119.74 111.82 2k5q s LYS 49 Ca 0.16 -1.18 -0.23 0.00 0.02 0.00 0.00 55.97 54.74 2k5q s LYS 49 Cb -0.13 -0.99 0.02 0.00 -0.52 0.00 0.00 37.83 36.21 2k5q s LYS 49 CO 0.04 0.20 0.79 -1.21 -0.92 0.00 0.00 175.35 174.26 2k5q s GLU 50 N -2.38 3.62 -0.34 1.68 8.01 -1.26 -0.74 118.70 127.29 2k5q s GLU 50 Ca 0.07 0.15 -0.06 0.00 0.01 0.00 0.00 54.97 55.14 2k5q s GLU 50 Cb -0.07 -3.86 0.05 0.00 -4.31 0.00 0.00 34.13 25.94 2k5q s GLU 50 CO 0.03 -0.96 0.11 -0.51 0.01 0.00 0.00 175.26 173.93 2k5q s LEU 51 N 3.20 4.36 -0.07 1.80 2.01 0.15 -4.97 118.68 125.17 2k5q s LEU 51 Ca 0.31 -1.23 0.05 0.00 0.01 0.00 0.00 54.13 53.28 2k5q s LEU 51 Cb -0.13 -1.85 -0.01 0.00 0.01 0.00 0.00 46.19 44.21 2k5q s LEU 51 CO 0.19 -0.34 -0.24 -1.83 1.01 0.00 0.00 176.35 175.14 2k5q s GLU 52 N 1.37 2.61 0.05 1.70 1.03 -1.26 -0.73 118.70 123.48 2k5q s GLU 52 Ca -0.01 -0.86 0.00 0.00 0.03 0.00 0.00 54.97 54.13 2k5q s GLU 52 Cb -0.20 -2.13 -0.03 0.00 -0.80 0.00 0.00 34.13 30.97 2k5q s GLU 52 CO 0.02 0.30 -0.04 -0.59 -1.33 0.00 0.00 175.26 173.61 2k5q s PHE 53 N 0.03 0.56 -0.31 4.83 -0.71 -1.12 -4.45 117.98 116.80 2k5q s PHE 53 Ca -0.09 -0.82 -0.12 0.00 -1.04 0.00 0.00 56.93 54.86 2k5q s PHE 53 Cb -0.15 -0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 41.26 2k5q s PHE 53 CO 0.05 -0.24 0.22 0.95 -1.34 0.00 0.00 175.22 174.86 2k5q s THR 54 N -2.87 5.29 0.08 -4.49 -4.23 -1.26 -0.35 115.64 107.81 2k5q s THR 54 Ca -0.00 -0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 2k5q s THR 54 Cb 0.00 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 2k5q s THR 54 CO -0.05 0.10 0.17 0.00 -0.54 0.00 0.00 174.62 174.30 2k5q s ALA 55 N 1.74 3.82 0.38 3.99 0.00 0.47 -4.88 121.76 127.28 2k5q s ALA 55 Ca 0.06 -0.95 0.14 0.00 0.00 0.00 0.00 51.96 51.22 2k5q s ALA 55 Cb -0.17 -1.66 0.81 0.00 0.00 0.00 0.00 23.12 22.10 2k5q s ALA 55 CO 0.11 0.75 1.86 0.37 0.00 0.00 0.00 175.76 178.85 2k5q h GLN 56 N 2.99 0.00 -4.18 0.00 4.15 -1.99 -2.53 115.11 113.56 2k5q h GLN 56 Ca -0.46 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 58.81 2k5q h GLN 56 Cb 1.17 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.72 2k5q h GLN 56 CO 0.71 0.33 -0.50 -1.59 -1.93 0.00 0.00 178.83 175.85 2k5q s LYS 57 N -4.25 1.04 0.47 1.69 -2.85 -1.26 -4.85 119.74 109.73 2k5q s LYS 57 Ca -0.03 -1.32 -0.22 0.00 -1.00 0.00 0.00 55.97 53.40 2k5q s LYS 57 Cb 0.14 0.31 -0.07 0.00 -2.06 0.00 0.00 37.83 36.14 2k5q s LYS 57 CO 0.71 -0.34 1.12 -0.80 0.10 0.00 0.00 175.35 176.15 2k5q s ASN 58 N -3.01 6.21 0.45 0.03 0.01 -1.26 -4.94 114.94 112.43 2k5q s ASN 58 Ca 0.21 2.19 0.01 0.00 -0.71 0.00 0.00 52.86 54.56 2k5q s ASN 58 Cb 0.06 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 39.12 2k5q s ASN 58 CO 0.01 -0.88 0.02 0.00 -1.51 0.00 0.00 177.10 174.74 2k5q n LEU 59 N -0.61 0.00 -4.58 0.60 -0.00 -1.26 -5.07 117.00 106.08 2k5q n LEU 59 Ca 0.08 -2.87 -0.41 0.00 -0.00 0.00 0.00 56.01 52.81 2k5q n LEU 59 Cb 0.49 0.41 -0.03 0.00 -0.00 0.00 0.00 43.42 44.30 2k5q n LEU 59 CO 0.45 -0.41 1.50 -0.13 -0.00 0.00 0.00 177.39 178.80 2k5q s ARG 60 N -3.62 3.10 0.62 1.47 3.00 -1.26 -4.85 118.95 117.40 2k5q s ARG 60 Ca 0.03 0.99 0.34 0.00 0.00 0.00 0.00 55.73 57.09 2k5q s ARG 60 Cb 0.00 -4.24 1.98 0.00 0.00 0.00 0.00 34.95 32.69 2k5q s ARG 60 CO 0.02 -2.16 2.26 0.87 0.00 0.00 0.00 175.30 176.29 2k5q h LYS 61 N 13.27 0.00 -0.64 3.54 1.57 -1.97 -0.90 116.57 131.43 2k5q h LYS 61 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2k5q h LYS 61 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2k5q h LYS 61 CO 1.12 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 180.39 2k5q n GLU 62 N -3.57 3.14 -3.60 3.15 -0.58 -1.26 -4.20 120.64 113.72 2k5q n GLU 62 Ca -0.02 -2.42 -0.21 0.00 -0.42 0.00 0.00 57.16 54.09 2k5q n GLU 62 Cb 0.13 -1.73 -0.03 0.00 -0.57 0.00 0.00 31.44 29.24 2k5q n GLU 62 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k5q s ALA 63 N -1.65 4.11 -0.11 0.62 0.00 -0.35 -4.81 121.76 119.57 2k5q s ALA 63 Ca 0.44 -1.84 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 2k5q s ALA 63 Cb 0.27 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 2k5q s ALA 63 CO 0.23 -0.27 -0.09 -0.06 0.00 0.00 0.00 175.76 175.57 2k5q s PHE 64 N -2.52 2.90 -0.24 0.00 0.40 -0.01 -3.45 117.98 115.07 2k5q s PHE 64 Ca 0.47 -0.31 -0.11 0.00 -0.60 0.00 0.00 56.93 56.38 2k5q s PHE 64 Cb -0.03 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.63 2k5q s PHE 64 CO 0.27 0.03 0.17 -0.51 0.70 0.00 0.00 175.22 175.88 2k5q s LEU 65 N -0.06 4.12 -0.85 -0.37 1.43 0.48 -0.25 118.68 123.17 2k5q s LEU 65 Ca -0.00 0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 2k5q s LEU 65 Cb -0.14 -2.13 0.12 0.00 0.03 0.00 0.00 46.19 44.07 2k5q s LEU 65 CO 0.03 0.06 1.07 -0.13 0.23 0.00 0.00 176.35 177.61 2k5q s ARG 66 N 1.05 3.46 0.15 1.70 0.52 0.82 -1.99 118.95 124.66 2k5q s ARG 66 Ca 0.08 -1.54 -0.13 0.00 -0.52 0.00 0.00 55.73 53.62 2k5q s ARG 66 Cb -0.13 -4.73 -0.07 0.00 0.52 0.00 0.00 34.95 30.53 2k5q s ARG 66 CO 0.05 -1.77 0.53 0.14 0.02 0.00 0.00 175.30 174.27 2k5q s VAL 67 N 2.97 4.90 -0.31 3.52 -7.23 -0.84 -0.88 120.40 122.53 2k5q s VAL 67 Ca 0.29 0.73 -0.22 0.00 -1.81 0.00 0.00 61.98 60.98 2k5q s VAL 67 Cb -0.08 -3.71 -0.00 0.00 0.56 0.00 0.00 36.38 33.15 2k5q s VAL 67 CO -0.04 0.21 0.71 -0.47 -0.31 0.00 0.00 175.10 175.19 2k5q s TYR 68 N -1.50 3.20 0.05 2.82 5.04 0.89 -1.62 117.35 126.22 2k5q s TYR 68 Ca 0.38 0.66 -0.30 0.00 -2.44 0.00 0.00 57.07 55.37 2k5q s TYR 68 Cb -0.14 -3.13 -0.05 0.00 0.35 0.00 0.00 41.96 38.99 2k5q s TYR 68 CO 0.19 -0.54 1.20 -1.58 -1.34 0.00 0.00 175.55 173.48 2k5q s HIS 69 N 2.80 3.41 -0.23 4.97 5.65 -0.23 -3.41 115.29 128.25 2k5q s HIS 69 Ca 0.29 1.29 -0.03 0.00 0.25 0.00 0.00 55.06 56.85 2k5q s HIS 69 Cb -0.14 -3.42 0.11 0.00 -1.18 0.00 0.00 32.58 27.95 2k5q s HIS 69 CO 0.13 -1.28 0.28 -1.12 -0.65 0.00 0.00 174.74 172.10 2k5q s SER 70 N 1.12 1.02 0.59 9.88 0.01 -1.06 -3.73 113.70 121.53 2k5q s SER 70 Ca 0.58 -0.12 0.29 0.00 1.31 0.00 0.00 55.95 58.01 2k5q s SER 70 Cb -0.29 0.64 1.63 0.00 0.21 0.00 0.00 66.02 68.21 2k5q s SER 70 CO 0.28 -0.32 2.07 0.44 0.41 0.00 0.00 173.24 176.12 2k5q h ASP 71 N 8.26 0.00 -0.29 2.44 3.32 -1.86 0.79 116.42 129.08 2k5q h ASP 71 Ca -0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2k5q h ASP 71 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2k5q h ASP 71 CO 0.28 0.00 0.00 2.29 -1.72 0.00 0.00 179.24 180.09 2k5q n LYS 72 N -3.80 3.08 0.00 3.56 -0.00 -1.25 -4.54 118.16 115.21 2k5q n LYS 72 Ca 0.03 -2.81 0.00 0.00 -0.00 0.00 0.00 58.31 55.53 2k5q n LYS 72 Cb 0.38 -1.83 0.00 0.00 -0.00 0.00 0.00 35.03 33.57 2k5q n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2k5q n LYS 73 N -0.33 2.49 0.00 -1.58 3.00 0.33 -5.08 118.16 116.99 2k5q n LYS 73 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 2k5q n LYS 73 Cb 0.88 -0.21 0.00 0.00 0.00 0.00 0.00 35.03 35.70 2k5q n LYS 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k5q n GLY 74 N 0.00 1.72 2.71 3.14 0.00 0.25 -4.61 105.19 108.40 2k5q n GLY 74 Ca 0.00 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 2k5q n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5q s VAL 75 N 0.00 0.29 -0.63 1.61 1.01 -1.26 -2.55 120.40 118.87 2k5q s VAL 75 Ca 0.00 -0.19 0.23 0.00 0.00 0.00 0.00 61.98 62.02 2k5q s VAL 75 Cb 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 36.38 35.57 2k5q s VAL 75 CO 0.00 -0.06 1.05 -0.24 0.00 0.00 0.00 175.10 175.85 2k5q n SER 76 N 5.15 0.62 -3.50 3.32 2.88 -1.22 -4.90 113.62 115.97 2k5q n SER 76 Ca -0.07 -0.21 -0.13 0.00 -1.33 0.00 0.00 58.87 57.13 2k5q n SER 76 Cb 0.49 0.75 -0.04 0.00 -0.75 0.00 0.00 64.21 64.65 2k5q n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k5q s ALA 77 N -3.19 -1.76 -0.12 -1.46 0.00 -1.26 -5.03 121.76 108.94 2k5q s ALA 77 Ca 0.04 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.90 2k5q s ALA 77 Cb 0.14 0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.55 2k5q s ALA 77 CO 0.79 -0.56 0.40 1.67 0.00 0.00 0.00 175.76 178.07 2k5q s TRP 78 N -2.41 -0.40 -0.01 0.00 1.48 -1.26 -0.07 118.94 116.27 2k5q s TRP 78 Ca -0.02 0.92 0.03 0.00 -1.06 0.00 0.00 56.10 55.97 2k5q s TRP 78 Cb -0.01 0.15 -0.03 0.00 -1.16 0.00 0.00 33.47 32.42 2k5q s TRP 78 CO -0.03 -0.27 -0.07 -1.21 -4.06 0.00 0.00 176.95 171.32 2k5q s GLU 79 N -0.17 2.58 -0.45 3.25 2.02 -0.06 -4.92 118.70 120.96 2k5q s GLU 79 Ca -0.03 -0.70 -0.12 0.00 0.02 0.00 0.00 54.97 54.13 2k5q s GLU 79 Cb -0.03 -2.52 0.08 0.00 0.10 0.00 0.00 34.13 31.76 2k5q s GLU 79 CO 0.02 0.61 0.33 -2.00 0.02 0.00 0.00 175.26 174.24 2k5q s GLU 80 N -1.35 2.80 0.52 1.61 2.12 -1.26 -0.13 118.70 123.01 2k5q s GLU 80 Ca 0.17 -1.40 0.00 0.00 0.36 0.00 0.00 54.97 54.09 2k5q s GLU 80 Cb -0.11 -3.96 -0.00 0.00 0.26 0.00 0.00 34.13 30.31 2k5q s GLU 80 CO 0.07 -0.99 0.01 1.33 -0.54 0.00 0.00 175.26 175.13 2k5q n VAL 81 N 5.07 0.00 -3.17 3.70 0.24 0.65 -4.96 118.33 119.86 2k5q n VAL 81 Ca -0.11 -2.45 -0.18 0.00 -2.04 0.00 0.00 64.34 59.56 2k5q n VAL 81 Cb 0.43 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 2k5q n VAL 81 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2k5q s LYS 82 N -3.86 2.85 0.48 7.34 3.01 -1.26 -0.83 119.74 127.47 2k5q s LYS 82 Ca 0.01 -1.23 0.28 0.00 -1.01 0.00 0.00 55.97 54.02 2k5q s LYS 82 Cb 0.00 -2.73 0.83 0.00 -1.01 0.00 0.00 37.83 34.92 2k5q s LYS 82 CO 0.01 -0.19 1.79 1.57 0.51 0.00 0.00 175.35 179.03 2k5q h LYS 83 N 0.74 0.00 0.00 1.68 5.09 -1.94 -3.11 116.57 119.02 2k5q h LYS 83 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.33 2k5q h LYS 83 Cb 1.27 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.60 2k5q h LYS 83 CO 0.48 0.00 0.00 -0.40 -2.09 0.00 0.00 179.45 177.44 2k5q n ASP 84 N -3.06 0.06 -0.30 7.07 5.68 -1.26 -2.27 116.55 122.46 2k5q n ASP 84 Ca 0.02 0.51 0.14 0.00 -0.50 0.00 0.00 54.79 54.97 2k5q n ASP 84 Cb 0.42 -0.53 0.57 0.00 -1.14 0.00 0.00 41.12 40.44 2k5q n ASP 84 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2k5q n GLU 85 N -1.56 1.23 -3.39 0.11 1.02 -1.18 -4.82 120.64 112.05 2k5q n GLU 85 Ca 0.04 -0.61 -0.38 0.00 -0.02 0.00 0.00 57.16 56.20 2k5q n GLU 85 Cb 0.21 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 2k5q n GLU 85 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k5q s LEU 86 N -2.19 4.29 0.49 -4.62 1.02 -0.96 -5.06 118.68 111.65 2k5q s LEU 86 Ca 0.35 0.77 -0.23 0.00 0.02 0.00 0.00 54.13 55.04 2k5q s LEU 86 Cb 0.21 -2.61 -0.08 0.00 0.02 0.00 0.00 46.19 43.73 2k5q s LEU 86 CO 0.40 0.06 1.10 -2.65 0.02 0.00 0.00 176.35 175.28 2k5q n PRO 87 N 3.41 1.40 -0.32 1.29 -0.02 -1.26 -4.90 135.00 134.60 2k5q n PRO 87 Ca -0.09 0.51 0.06 0.00 -2.02 0.00 0.00 63.50 61.96 2k5q n PRO 87 Cb 0.52 -2.22 0.25 0.00 -0.02 0.00 0.00 33.50 32.03 2k5q n PRO 87 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k5q h ALA 88 N 1.37 1.55 -0.05 3.55 0.00 -1.97 -1.14 119.26 122.58 2k5q h ALA 88 Ca -0.47 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2k5q h ALA 88 Cb 1.33 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k5q h ALA 88 CO 0.56 0.26 0.14 0.87 0.00 0.00 0.00 179.25 181.08 2k5q h LYS 89 N 0.98 0.00 0.16 0.00 1.57 -1.96 -0.59 116.57 116.73 2k5q h LYS 89 Ca 0.44 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 2k5q h LYS 89 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2k5q h LYS 89 CO -0.20 0.00 -0.08 0.28 -0.57 0.00 0.00 179.45 178.88 2k5q h VAL 90 N 0.00 0.92 -0.15 0.50 2.07 -1.55 -2.19 116.25 115.84 2k5q h VAL 90 Ca 0.02 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 2k5q h VAL 90 Cb 0.30 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2k5q h VAL 90 CO -0.00 0.09 -0.42 0.50 0.02 0.00 0.00 177.57 177.76 2k5q h LYS 91 N -0.39 0.36 0.00 1.57 3.64 -1.43 -1.59 116.57 118.72 2k5q h LYS 91 Ca -0.02 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2k5q h LYS 91 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2k5q h LYS 91 CO 0.04 0.72 0.00 0.93 -2.27 0.00 0.00 179.45 178.86 2k5q h GLU 92 N 0.29 0.00 0.00 1.90 4.39 -1.00 -1.06 114.58 119.10 2k5q h GLU 92 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2k5q h GLU 92 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2k5q h GLU 92 CO 0.07 0.00 -0.40 0.36 -1.16 0.00 0.00 179.01 177.88 2k5q n LYS 93 N -2.34 4.23 -3.62 2.33 2.85 -0.84 -4.80 118.16 115.96 2k5q n LYS 93 Ca -0.00 -0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 2k5q n LYS 93 Cb 0.11 -0.90 -0.16 0.00 -0.65 0.00 0.00 35.03 33.44 2k5q n LYS 93 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2k5q s LEU 94 N -2.40 0.82 0.00 -5.58 2.96 -0.40 -4.84 118.68 109.24 2k5q s LEU 94 Ca 0.03 -1.03 0.00 0.00 -0.22 0.00 0.00 54.13 52.91 2k5q s LEU 94 Cb 0.06 -0.43 0.00 0.00 0.50 0.00 0.00 46.19 46.32 2k5q s LEU 94 CO 0.34 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.60 2k5q n GLY 95 N 5.17 0.74 3.71 7.98 0.00 -1.25 -4.37 105.19 117.18 2k5q n GLY 95 Ca -0.06 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2k5q n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5q s VAL 96 N -2.59 4.29 -0.23 1.61 1.01 -1.24 -4.89 120.40 118.36 2k5q s VAL 96 Ca 0.00 1.68 -0.03 0.00 0.00 0.00 0.00 61.98 63.62 2k5q s VAL 96 Cb 0.00 -4.07 0.12 0.00 0.00 0.00 0.00 36.38 32.43 2k5q s VAL 96 CO 0.00 0.15 0.33 -0.54 0.00 0.00 0.00 175.10 175.04 2k5q s LYS 97 N 0.89 0.30 -0.40 2.72 -0.14 -1.26 -5.08 119.74 116.76 2k5q s LYS 97 Ca 0.55 0.44 -0.01 0.00 -1.36 0.00 0.00 55.97 55.60 2k5q s LYS 97 Cb -0.27 -0.70 0.19 0.00 -1.68 0.00 0.00 37.83 35.38 2k5q s LYS 97 CO 0.29 -0.64 0.88 -1.17 -0.76 0.00 0.00 175.35 173.96 2k5q s LEU 98 N 2.48 -0.88 0.00 3.17 0.20 -1.26 -5.01 118.68 117.38 2k5q s LEU 98 Ca 0.11 -0.75 0.00 0.00 0.69 0.00 0.00 54.13 54.18 2k5q s LEU 98 Cb -0.15 1.14 0.00 0.00 -0.43 0.00 0.00 46.19 46.74 2k5q s LEU 98 CO -0.15 -0.06 0.00 -0.62 -0.29 0.00 0.00 176.35 175.23 2k5q n GLU 99 N 3.38 0.00 0.00 1.98 4.71 -1.26 -5.16 120.64 124.29 2k5q n GLU 99 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 2k5q n GLU 99 Cb 0.60 -0.36 0.00 0.00 -1.01 0.00 0.00 31.44 30.67 2k5q n GLU 99 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2k5q n HIS 100 N -2.48 -1.10 0.29 -0.32 8.25 -1.26 -3.40 115.22 115.21 2k5q n HIS 100 Ca 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.64 2k5q n HIS 100 Cb 0.21 0.20 0.75 0.00 1.12 0.00 0.00 29.99 32.27 2k5q n HIS 100 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2k5q h HIS 101 N 0.00 0.00 0.00 4.41 3.86 -2.07 -3.46 115.15 117.89 2k5q h HIS 101 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2k5q h HIS 101 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2k5q h HIS 101 CO 0.00 0.00 0.00 1.58 0.86 0.00 0.00 177.93 180.37 2k5q n HIS 102 N -3.09 0.00 -3.69 2.45 -0.00 -1.22 -4.95 115.22 104.72 2k5q n HIS 102 Ca 0.00 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.82 2k5q n HIS 102 Cb 0.28 -0.54 -0.07 0.00 -0.12 0.00 0.00 29.99 29.53 2k5q n HIS 102 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k5q s HIS 103 N -2.11 3.45 -0.09 1.57 3.76 -1.26 -5.07 115.29 115.54 2k5q s HIS 103 Ca 0.00 0.45 -0.30 0.00 -0.15 0.00 0.00 55.06 55.05 2k5q s HIS 103 Cb 0.00 -2.19 0.12 0.00 1.11 0.00 0.00 32.58 31.62 2k5q s HIS 103 CO 0.00 0.34 0.98 -3.38 -0.85 0.00 0.00 174.74 171.82 2k5q s HIS 104 N 0.20 -0.32 -2.62 1.40 -3.43 -1.26 -5.21 115.29 104.05 2k5q s HIS 104 Ca 0.12 0.35 0.21 0.00 -0.80 0.00 0.00 55.06 54.94 2k5q s HIS 104 Cb -0.12 0.50 0.17 0.00 -1.43 0.00 0.00 32.58 31.70 2k5q s HIS 104 CO 0.01 -0.42 1.16 0.72 -2.00 0.00 0.00 174.74 174.21