#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 5.73 0.57 3.17 1.11 -1.26 -4.80 116.67 121.19 2k5q s ASP 2 Ca 0.00 -1.65 0.33 0.00 0.18 0.00 0.00 52.55 51.42 2k5q s ASP 2 Cb 0.00 -2.58 1.71 0.00 1.07 0.00 0.00 42.92 43.12 2k5q s ASP 2 CO 0.00 -2.30 2.14 0.17 1.18 0.00 0.00 175.17 176.36 2k5q h LEU 3 N 15.74 0.00 0.00 1.23 -0.00 -2.06 0.13 115.31 130.35 2k5q h LEU 3 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 2k5q h LEU 3 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 2k5q h LEU 3 CO 1.31 0.06 -0.26 0.59 -0.00 0.00 0.00 178.44 180.14 2k5q n ASN 4 N -3.39 0.38 -0.05 0.17 5.03 -1.26 -4.41 115.26 111.73 2k5q n ASN 4 Ca -0.02 0.22 -0.08 0.00 0.87 0.00 0.00 54.58 55.57 2k5q n ASN 4 Cb 0.20 -0.20 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 2k5q n ASN 4 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2k5q n ARG 5 N -1.71 0.35 -1.18 3.52 5.12 -0.33 -5.14 116.66 117.29 2k5q n ARG 5 Ca 0.06 0.14 0.16 0.00 -1.93 0.00 0.00 57.85 56.27 2k5q n ARG 5 Cb 0.37 -1.10 -0.05 0.00 -1.16 0.00 0.00 32.46 30.52 2k5q n ARG 5 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2k5q n MET 6 N -4.05 -2.46 0.00 5.56 2.81 0.29 -5.08 117.12 114.19 2k5q n MET 6 Ca -0.14 1.72 0.00 0.00 -1.81 0.00 0.00 57.70 57.47 2k5q n MET 6 Cb 0.41 -2.97 0.00 0.00 -0.71 0.00 0.00 33.22 29.96 2k5q n MET 6 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k5q n GLY 7 N -3.80 3.05 3.49 3.03 0.00 -1.26 -5.07 105.19 104.63 2k5q n GLY 7 Ca -0.01 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2k5q n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5q s LYS 8 N -1.62 3.70 0.09 1.61 1.02 -1.26 -5.08 119.74 118.20 2k5q s LYS 8 Ca 0.00 -0.47 0.06 0.00 0.02 0.00 0.00 55.97 55.58 2k5q s LYS 8 Cb 0.00 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 2k5q s LYS 8 CO 0.00 0.01 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.84 2k5q s ASP 9 N 1.04 4.47 -0.10 2.83 1.01 -1.26 -4.99 116.67 119.67 2k5q s ASP 9 Ca 0.03 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 52.96 2k5q s ASP 9 Cb -0.14 -0.89 -0.02 0.00 1.01 0.00 0.00 42.92 42.88 2k5q s ASP 9 CO 0.02 0.19 -0.15 -1.83 0.21 0.00 0.00 175.17 173.62 2k5q s GLU 10 N -2.12 3.08 -0.20 8.23 1.03 -1.26 -0.65 118.70 126.81 2k5q s GLU 10 Ca 0.21 -0.71 -0.07 0.00 0.03 0.00 0.00 54.97 54.43 2k5q s GLU 10 Cb -0.11 -2.52 -0.04 0.00 -0.80 0.00 0.00 34.13 30.66 2k5q s GLU 10 CO 0.13 0.33 0.06 0.71 -1.33 0.00 0.00 175.26 175.16 2k5q s TYR 11 N 0.03 3.16 -0.66 4.83 2.02 0.14 -4.90 117.35 121.97 2k5q s TYR 11 Ca -0.05 -0.14 -0.23 0.00 -0.37 0.00 0.00 57.07 56.29 2k5q s TYR 11 Cb -0.14 -2.13 0.07 0.00 -0.40 0.00 0.00 41.96 39.36 2k5q s TYR 11 CO 0.04 -0.05 0.97 0.71 -1.57 0.00 0.00 175.55 175.65 2k5q s TYR 12 N 0.83 2.68 0.12 2.71 2.02 -1.26 -1.83 117.35 122.62 2k5q s TYR 12 Ca 0.03 -0.56 0.10 0.00 -0.37 0.00 0.00 57.07 56.27 2k5q s TYR 12 Cb -0.14 -4.30 -0.04 0.00 -0.40 0.00 0.00 41.96 37.09 2k5q s TYR 12 CO 0.02 -1.65 -0.25 0.14 -1.57 0.00 0.00 175.55 172.24 2k5q s VAL 13 N 4.05 2.10 -0.13 0.71 -7.23 -0.99 -4.86 120.40 114.06 2k5q s VAL 13 Ca 0.22 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.58 2k5q s VAL 13 Cb -0.17 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 2k5q s VAL 13 CO 0.10 0.04 0.24 0.00 -0.31 0.00 0.00 175.10 175.17 2k5q s GLN 14 N -2.03 3.94 -0.68 4.82 -2.07 -1.26 0.73 119.66 123.11 2k5q s GLN 14 Ca 0.12 0.02 -0.26 0.00 -1.82 0.00 0.00 55.36 53.42 2k5q s GLN 14 Cb -0.10 -3.32 -0.02 0.00 -1.09 0.00 0.00 33.01 28.48 2k5q s GLN 14 CO 0.06 0.49 1.83 0.42 -1.32 0.00 0.00 175.29 176.77 2k5q s ILE 15 N -0.27 3.40 -0.08 3.63 -1.09 0.02 -4.81 121.20 122.00 2k5q s ILE 15 Ca 0.16 0.09 -0.20 0.00 -2.23 0.00 0.00 60.65 58.46 2k5q s ILE 15 Cb -0.13 -4.04 -0.29 0.00 -1.58 0.00 0.00 42.46 36.42 2k5q s ILE 15 CO 0.04 -1.00 0.75 0.71 -1.23 0.00 0.00 174.94 174.22 2k5q h THR 16 N 6.90 1.36 -3.22 2.92 1.35 -1.95 0.77 112.91 121.04 2k5q h THR 16 Ca -0.18 -2.47 -0.58 0.00 -0.55 0.00 0.00 66.41 62.63 2k5q h THR 16 Cb 1.12 3.02 -0.04 0.00 -1.73 0.00 0.00 68.15 70.52 2k5q h THR 16 CO 1.22 0.69 -0.05 0.68 -0.25 0.00 0.00 175.52 177.81 2k5q s VAL 17 N -2.42 4.77 0.18 6.82 -7.23 -1.26 -4.88 120.40 116.37 2k5q s VAL 17 Ca -0.17 1.18 0.04 0.00 -1.81 0.00 0.00 61.98 61.23 2k5q s VAL 17 Cb 0.02 -3.88 -0.05 0.00 0.56 0.00 0.00 36.38 33.03 2k5q s VAL 17 CO 0.79 0.55 -0.07 1.51 -0.31 0.00 0.00 175.10 177.57 2k5q s ASP 18 N -1.07 1.81 0.00 4.85 -4.77 -1.26 -4.85 116.67 111.38 2k5q s ASP 18 Ca 0.28 -1.09 0.00 0.00 -3.30 0.00 0.00 52.55 48.45 2k5q s ASP 18 Cb -0.19 -0.00 0.00 0.00 -1.09 0.00 0.00 42.92 41.64 2k5q s ASP 18 CO 0.18 -0.39 0.00 0.61 0.70 0.00 0.00 175.17 176.27 2k5q n GLY 19 N -0.28 0.05 3.75 2.12 0.00 -1.26 -4.93 105.19 104.64 2k5q n GLY 19 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2k5q n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k5q s LYS 20 N -1.77 4.78 0.18 1.61 2.20 -1.26 -4.96 119.74 120.51 2k5q s LYS 20 Ca 0.00 1.55 0.07 0.00 -0.36 0.00 0.00 55.97 57.23 2k5q s LYS 20 Cb 0.00 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 2k5q s LYS 20 CO 0.00 0.38 -0.14 -1.83 -0.36 0.00 0.00 175.35 173.40 2k5q s GLU 21 N -0.94 1.24 -1.10 4.03 -1.05 -1.26 0.07 118.70 119.69 2k5q s GLU 21 Ca 0.43 -1.51 -0.04 0.00 -0.15 0.00 0.00 54.97 53.71 2k5q s GLU 21 Cb -0.27 -1.03 0.16 0.00 -0.44 0.00 0.00 34.13 32.56 2k5q s GLU 21 CO 0.33 0.17 2.33 1.33 0.95 0.00 0.00 175.26 180.37 2k5q n VAL 22 N -0.18 5.02 -0.11 1.83 0.24 -0.05 -4.75 118.33 120.34 2k5q n VAL 22 Ca -0.10 -4.43 0.13 0.00 -2.04 0.00 0.00 64.34 57.90 2k5q n VAL 22 Cb 0.60 -1.85 0.50 0.00 -1.47 0.00 0.00 33.84 31.61 2k5q n VAL 22 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 2k5q h HIS 23 N 4.18 0.46 0.00 6.34 2.76 -1.86 -3.21 115.15 123.82 2k5q h HIS 23 Ca 0.61 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.80 2k5q h HIS 23 Cb 0.36 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.17 2k5q h HIS 23 CO 1.51 0.21 -0.02 0.45 -1.30 0.00 0.00 177.93 178.78 2k5q n SER 24 N -4.47 0.00 -1.08 3.26 2.88 -1.26 -4.82 113.62 108.13 2k5q n SER 24 Ca 0.11 -1.04 0.12 0.00 -1.33 0.00 0.00 58.87 56.73 2k5q n SER 24 Cb 0.41 -0.01 0.20 0.00 -0.75 0.00 0.00 64.21 64.06 2k5q n SER 24 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2k5q n LYS 25 N 0.00 2.43 0.00 -1.46 5.02 -1.21 -4.71 118.16 118.22 2k5q n LYS 25 Ca 0.00 -2.14 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 2k5q n LYS 25 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 2k5q n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k5q n ALA 26 N 1.40 0.00 -2.73 7.82 0.00 -1.25 -4.96 120.51 120.80 2k5q n ALA 26 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 2k5q n ALA 26 Cb 0.59 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.06 2k5q n ALA 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k5q s ASP 27 N -1.90 -0.33 -0.62 0.00 2.15 -1.26 -4.98 116.67 109.73 2k5q s ASP 27 Ca 0.00 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 52.71 2k5q s ASP 27 Cb 0.00 0.42 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 2k5q s ASP 27 CO 0.00 -0.03 0.00 0.59 -0.17 0.00 0.00 175.17 175.56 2k5q n ASN 28 N 3.20 -2.45 -2.74 -0.34 3.02 -1.26 -4.76 115.26 109.92 2k5q n ASN 28 Ca 0.08 0.30 -0.09 0.00 -0.03 0.00 0.00 54.58 54.84 2k5q n ASN 28 Cb 0.64 -2.22 0.09 0.00 -0.61 0.00 0.00 39.78 37.68 2k5q n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k5q n GLY 29 N -0.56 0.67 3.57 7.41 0.00 -1.26 -5.08 105.19 109.94 2k5q n GLY 29 Ca -0.08 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 0.21 2.38 0.00 1.61 -2.07 -1.26 -4.39 119.66 116.13 2k5q s GLN 30 Ca 0.22 -0.53 0.00 0.00 -1.82 0.00 0.00 55.36 53.24 2k5q s GLN 30 Cb 0.29 -5.10 0.00 0.00 -1.09 0.00 0.00 33.01 27.11 2k5q s GLN 30 CO -0.05 -3.79 0.00 1.17 -1.32 0.00 0.00 175.29 171.30 2k5q n LYS 31 N 8.62 4.06 -3.82 9.60 0.00 -1.26 -5.00 118.16 130.36 2k5q n LYS 31 Ca 0.42 0.00 -0.29 0.00 0.00 0.00 0.00 58.31 58.44 2k5q n LYS 31 Cb 0.46 -0.69 -0.16 0.00 0.00 0.00 0.00 35.03 34.64 2k5q n LYS 31 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 2k5q s TYR 32 N -1.38 1.74 -1.31 5.64 1.13 -1.26 -5.05 117.35 116.86 2k5q s TYR 32 Ca 0.00 -1.40 -0.10 0.00 -1.41 0.00 0.00 57.07 54.16 2k5q s TYR 32 Cb 0.00 -1.40 0.14 0.00 -1.10 0.00 0.00 41.96 39.61 2k5q s TYR 32 CO 0.00 -0.73 1.97 1.63 -2.51 0.00 0.00 175.55 175.92 2k5q n LYS 33 N 4.85 3.59 -2.36 -3.49 5.02 -1.26 -4.78 118.16 119.74 2k5q n LYS 33 Ca -0.09 -3.38 -0.26 0.00 -2.02 0.00 0.00 58.31 52.56 2k5q n LYS 33 Cb 0.45 -2.95 0.04 0.00 -0.02 0.00 0.00 35.03 32.56 2k5q n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k5q s ASP 34 N 1.12 5.31 0.42 4.39 1.01 -1.26 -4.82 116.67 122.84 2k5q s ASP 34 Ca 0.42 0.57 -0.09 0.00 0.71 0.00 0.00 52.55 54.16 2k5q s ASP 34 Cb 0.11 -1.44 -0.05 0.00 1.01 0.00 0.00 42.92 42.54 2k5q s ASP 34 CO -0.01 -1.25 0.76 -0.31 0.21 0.00 0.00 175.17 174.57 2k5q s TYR 35 N -3.05 3.50 -0.19 4.23 1.51 -0.58 -0.87 117.35 121.89 2k5q s TYR 35 Ca 0.56 0.95 -0.17 0.00 -1.01 0.00 0.00 57.07 57.40 2k5q s TYR 35 Cb -0.11 -2.38 0.05 0.00 -0.11 0.00 0.00 41.96 39.41 2k5q s TYR 35 CO 0.44 -0.15 0.51 -2.00 -1.11 0.00 0.00 175.55 173.25 2k5q s GLU 36 N -4.11 0.59 -0.30 -0.62 -6.30 0.11 -0.46 118.70 107.61 2k5q s GLU 36 Ca 0.50 0.74 -0.00 0.00 -2.50 0.00 0.00 54.97 53.71 2k5q s GLU 36 Cb -0.10 0.26 0.09 0.00 0.00 0.00 0.00 34.13 34.38 2k5q s GLU 36 CO 0.36 -0.08 0.07 0.71 0.02 0.00 0.00 175.26 176.33 2k5q s TYR 37 N 0.42 2.02 -0.26 5.30 1.51 -0.17 -4.27 117.35 121.90 2k5q s TYR 37 Ca -0.01 -1.84 -0.16 0.00 -1.01 0.00 0.00 57.07 54.04 2k5q s TYR 37 Cb -0.04 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.96 2k5q s TYR 37 CO -0.01 -0.85 0.44 0.21 -1.11 0.00 0.00 175.55 174.22 2k5q s LYS 38 N 1.51 4.05 0.11 -0.62 2.20 -1.26 -2.32 119.74 123.41 2k5q s LYS 38 Ca 0.07 0.17 -0.09 0.00 -0.36 0.00 0.00 55.97 55.76 2k5q s LYS 38 Cb -0.18 -3.65 -0.00 0.00 -1.51 0.00 0.00 37.83 32.49 2k5q s LYS 38 CO -0.19 -0.30 0.23 -0.48 -0.36 0.00 0.00 175.35 174.25 2k5q s LEU 39 N 2.14 1.24 -0.47 5.43 0.05 0.74 -4.93 118.68 122.89 2k5q s LEU 39 Ca 0.18 -0.70 -0.26 0.00 0.05 0.00 0.00 54.13 53.39 2k5q s LEU 39 Cb -0.16 1.12 0.03 0.00 -2.05 0.00 0.00 46.19 45.13 2k5q s LEU 39 CO 0.09 -0.78 0.97 -0.89 -0.55 0.00 0.00 176.35 175.19 2k5q s THR 40 N -3.89 4.41 0.51 5.48 2.01 -1.26 -1.39 115.64 121.51 2k5q s THR 40 Ca 0.09 0.82 -0.16 0.00 0.31 0.00 0.00 61.69 62.75 2k5q s THR 40 Cb 0.04 -4.48 -0.08 0.00 0.01 0.00 0.00 72.50 68.00 2k5q s THR 40 CO -0.08 -0.89 0.97 -0.83 -0.69 0.00 0.00 174.62 173.10 2k5q s GLY 41 N 2.33 2.04 -0.12 4.40 0.00 0.98 -4.88 107.32 112.08 2k5q s GLY 41 Ca 0.39 0.14 0.03 0.00 0.00 0.00 0.00 44.72 45.27 2k5q s GLY 41 CO 0.27 0.41 -0.20 -1.36 0.00 0.00 0.00 173.10 172.22 2k5q s PHE 42 N -2.63 2.39 0.63 1.90 0.08 -1.26 -0.20 117.98 118.89 2k5q s PHE 42 Ca 0.58 -1.12 -0.15 0.00 0.12 0.00 0.00 56.93 56.35 2k5q s PHE 42 Cb -0.10 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.69 2k5q s PHE 42 CO 0.32 -0.52 1.09 0.34 -0.10 0.00 0.00 175.22 176.36 2k5q s ASP 43 N 0.75 5.39 0.57 1.36 -1.08 -0.28 -4.69 116.67 118.69 2k5q s ASP 43 Ca -0.10 1.93 0.26 0.00 -0.52 0.00 0.00 52.55 54.12 2k5q s ASP 43 Cb -0.16 -2.54 1.54 0.00 -1.46 0.00 0.00 42.92 40.30 2k5q s ASP 43 CO 0.01 -1.44 2.08 0.07 0.52 0.00 0.00 175.17 176.42 2k5q h LYS 44 N 0.23 0.00 -0.03 4.34 2.10 -1.92 -0.05 116.57 121.24 2k5q h LYS 44 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2k5q h LYS 44 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2k5q h LYS 44 CO 0.55 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.53 2k5q n ASP 45 N -4.05 1.14 -0.39 7.07 2.03 -1.26 -4.90 116.55 116.19 2k5q n ASP 45 Ca 0.03 -1.41 0.00 0.00 0.52 0.00 0.00 54.79 53.92 2k5q n ASP 45 Cb 0.35 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 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 1.12 0.65 3.61 0.27 0.00 -0.04 -5.12 105.19 105.68 2k5q n GLY 46 Ca 0.20 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2k5q n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k5q n LYS 47 N -0.39 0.75 -4.16 1.61 5.02 -1.20 -4.91 118.16 114.88 2k5q n LYS 47 Ca 0.00 -3.68 -0.22 0.00 -2.02 0.00 0.00 58.31 52.39 2k5q n LYS 47 Cb 0.23 1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 36.27 2k5q n LYS 47 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2k5q s GLU 48 N -3.80 2.60 -0.33 1.97 4.04 -1.26 -1.13 118.70 120.78 2k5q s GLU 48 Ca 0.02 -1.27 -0.04 0.00 0.04 0.00 0.00 54.97 53.72 2k5q s GLU 48 Cb 0.00 -2.35 0.19 0.00 0.02 0.00 0.00 34.13 31.99 2k5q s GLU 48 CO 0.02 0.33 0.90 0.21 -1.84 0.00 0.00 175.26 174.87 2k5q s LYS 49 N -3.79 0.36 -0.56 -4.83 2.47 0.72 -4.67 119.74 109.45 2k5q s LYS 49 Ca 0.33 0.01 -0.28 0.00 -1.56 0.00 0.00 55.97 54.48 2k5q s LYS 49 Cb -0.06 0.08 0.03 0.00 -1.46 0.00 0.00 37.83 36.41 2k5q s LYS 49 CO 0.23 -0.56 1.17 -2.00 0.16 0.00 0.00 175.35 174.35 2k5q s GLU 50 N 2.28 3.56 0.29 4.03 -6.30 -1.26 -0.02 118.70 121.27 2k5q s GLU 50 Ca 0.18 0.31 0.04 0.00 -2.50 0.00 0.00 54.97 52.99 2k5q s GLU 50 Cb -0.01 -3.99 -0.04 0.00 0.00 0.00 0.00 34.13 30.09 2k5q s GLU 50 CO -0.16 -1.61 0.20 -0.48 0.02 0.00 0.00 175.26 173.23 2k5q s LEU 51 N 4.82 1.56 0.12 2.70 0.05 -0.48 -4.95 118.68 122.49 2k5q s LEU 51 Ca 0.44 -1.60 0.04 0.00 0.05 0.00 0.00 54.13 53.06 2k5q s LEU 51 Cb -0.07 0.39 -0.04 0.00 -2.05 0.00 0.00 46.19 44.42 2k5q s LEU 51 CO 0.27 -0.95 -0.10 -1.83 -0.55 0.00 0.00 176.35 173.19 2k5q s GLU 52 N -3.76 0.95 0.02 1.48 1.03 -1.26 -0.18 118.70 116.97 2k5q s GLU 52 Ca 0.38 -1.31 -0.01 0.00 0.03 0.00 0.00 54.97 54.06 2k5q s GLU 52 Cb 0.04 -0.55 -0.02 0.00 -0.80 0.00 0.00 34.13 32.80 2k5q s GLU 52 CO 0.20 0.07 -0.01 -0.59 -1.33 0.00 0.00 175.26 173.60 2k5q s PHE 53 N -2.96 0.26 -0.07 4.83 -0.71 -0.98 -2.89 117.98 115.46 2k5q s PHE 53 Ca 0.11 -0.55 -0.00 0.00 -1.04 0.00 0.00 56.93 55.45 2k5q s PHE 53 Cb 0.00 -0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.59 2k5q s PHE 53 CO -0.00 -0.23 -0.03 0.95 -1.34 0.00 0.00 175.22 174.56 2k5q s THR 54 N -1.78 4.00 0.29 -4.49 -4.23 -1.25 -1.00 115.64 107.19 2k5q s THR 54 Ca -0.13 -0.38 0.05 0.00 -1.18 0.00 0.00 61.69 60.05 2k5q s THR 54 Cb -0.07 -2.67 -0.06 0.00 1.34 0.00 0.00 72.50 71.04 2k5q s THR 54 CO -0.02 0.59 0.01 0.00 -0.54 0.00 0.00 174.62 174.66 2k5q s ALA 55 N -0.86 2.26 -0.15 3.99 0.00 0.39 -4.97 121.76 122.42 2k5q s ALA 55 Ca 0.13 -1.95 -0.22 0.00 0.00 0.00 0.00 51.96 49.92 2k5q s ALA 55 Cb -0.11 0.46 -0.24 0.00 0.00 0.00 0.00 23.12 23.23 2k5q s ALA 55 CO 0.02 -0.22 0.51 0.37 0.00 0.00 0.00 175.76 176.45 2k5q h GLN 56 N 2.24 0.08 -5.47 0.00 4.15 -1.97 -1.54 115.11 112.60 2k5q h GLN 56 Ca -0.40 -0.14 -0.47 0.00 0.77 0.00 0.00 58.65 58.41 2k5q h GLN 56 Cb 1.24 0.05 -0.14 0.00 0.21 0.00 0.00 27.48 28.84 2k5q h GLN 56 CO 0.68 1.07 -0.69 0.15 -1.93 0.00 0.00 178.83 178.11 2k5q s LYS 57 N -2.36 1.47 -0.02 1.69 1.02 -1.26 -4.29 119.74 115.99 2k5q s LYS 57 Ca -0.23 -1.73 -0.30 0.00 0.02 0.00 0.00 55.97 53.74 2k5q s LYS 57 Cb 0.03 -1.08 -0.07 0.00 -0.52 0.00 0.00 37.83 36.18 2k5q s LYS 57 CO 0.68 0.05 1.89 1.21 -0.92 0.00 0.00 175.35 178.27 2k5q s ASN 58 N -3.40 6.42 0.56 2.83 3.84 -1.26 -4.93 114.94 119.01 2k5q s ASN 58 Ca 0.28 2.44 -0.01 0.00 0.21 0.00 0.00 52.86 55.78 2k5q s ASN 58 Cb 0.03 -2.53 0.04 0.00 -0.55 0.00 0.00 41.25 38.24 2k5q s ASN 58 CO 0.10 -1.11 0.25 0.00 -2.79 0.00 0.00 177.10 173.56 2k5q n LEU 59 N 7.83 0.00 -4.57 3.21 -0.00 -1.26 -5.03 117.00 117.18 2k5q n LEU 59 Ca 0.20 -0.47 -0.43 0.00 -0.00 0.00 0.00 56.01 55.31 2k5q n LEU 59 Cb 0.42 -0.17 -0.04 0.00 -0.00 0.00 0.00 43.42 43.63 2k5q n LEU 59 CO 0.66 -0.64 0.70 -0.13 -0.00 0.00 0.00 177.39 177.98 2k5q s ARG 60 N -3.15 3.62 0.73 1.47 0.52 -1.26 -4.95 118.95 115.93 2k5q s ARG 60 Ca 0.16 0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 55.50 2k5q s ARG 60 Cb -0.01 -3.88 0.03 0.00 0.52 0.00 0.00 34.95 31.61 2k5q s ARG 60 CO 0.11 -1.08 1.08 -1.59 0.02 0.00 0.00 175.30 173.83 2k5q s LYS 61 N 3.51 2.66 0.00 3.54 -2.85 -1.26 -3.52 119.74 121.83 2k5q s LYS 61 Ca 0.35 0.70 0.00 0.00 -1.00 0.00 0.00 55.97 56.02 2k5q s LYS 61 Cb -0.11 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 2k5q s LYS 61 CO 0.22 -1.23 0.00 -1.91 0.10 0.00 0.00 175.35 172.54 2k5q n GLU 62 N -3.18 -1.26 -3.85 1.78 2.13 0.26 -4.94 120.64 111.59 2k5q n GLU 62 Ca 0.07 0.31 -0.30 0.00 0.66 0.00 0.00 57.16 57.90 2k5q n GLU 62 Cb 0.55 -4.47 -0.04 0.00 0.27 0.00 0.00 31.44 27.75 2k5q n GLU 62 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k5q s ALA 63 N -1.30 3.94 0.51 4.31 0.00 -1.23 -4.80 121.76 123.19 2k5q s ALA 63 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 2k5q s ALA 63 Cb 0.00 -1.90 -0.06 0.00 0.00 0.00 0.00 23.12 21.16 2k5q s ALA 63 CO 0.00 0.73 0.92 -0.06 0.00 0.00 0.00 175.76 177.35 2k5q s PHE 64 N -1.60 3.51 -0.10 0.00 0.40 -0.96 -0.80 117.98 118.43 2k5q s PHE 64 Ca 0.37 1.24 -0.04 0.00 -0.60 0.00 0.00 56.93 57.89 2k5q s PHE 64 Cb -0.12 -2.63 0.05 0.00 0.51 0.00 0.00 43.02 40.82 2k5q s PHE 64 CO 0.27 -0.37 0.22 -1.17 0.70 0.00 0.00 175.22 174.87 2k5q s LEU 65 N -4.37 0.27 -0.94 -0.37 0.20 0.22 -0.77 118.68 112.92 2k5q s LEU 65 Ca 0.55 0.48 -0.23 0.00 0.69 0.00 0.00 54.13 55.61 2k5q s LEU 65 Cb -0.10 0.61 0.06 0.00 -0.43 0.00 0.00 46.19 46.32 2k5q s LEU 65 CO 0.38 -0.19 1.36 -0.60 -0.29 0.00 0.00 176.35 177.02 2k5q s ARG 66 N 1.60 3.49 -0.04 1.98 3.52 0.12 -2.34 118.95 127.28 2k5q s ARG 66 Ca -0.06 -1.00 -0.14 0.00 -0.13 0.00 0.00 55.73 54.40 2k5q s ARG 66 Cb -0.11 -5.03 -0.05 0.00 -1.56 0.00 0.00 34.95 28.20 2k5q s ARG 66 CO -0.08 -2.13 0.37 0.14 -0.81 0.00 0.00 175.30 172.79 2k5q s VAL 67 N 4.85 5.13 -0.11 7.11 -7.23 -0.76 -1.50 120.40 127.89 2k5q s VAL 67 Ca 0.41 0.75 -0.18 0.00 -1.81 0.00 0.00 61.98 61.15 2k5q s VAL 67 Cb -0.03 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 2k5q s VAL 67 CO -0.04 0.54 0.48 -0.47 -0.31 0.00 0.00 175.10 175.29 2k5q s TYR 68 N -0.73 3.53 -0.57 2.82 5.04 -0.56 -0.69 117.35 126.19 2k5q s TYR 68 Ca 0.22 0.90 -0.28 0.00 -2.44 0.00 0.00 57.07 55.48 2k5q s TYR 68 Cb -0.16 -2.54 0.01 0.00 0.35 0.00 0.00 41.96 39.62 2k5q s TYR 68 CO 0.11 0.19 1.51 -1.58 -1.34 0.00 0.00 175.55 174.44 2k5q s HIS 69 N 0.52 2.14 0.05 4.97 5.65 0.17 -4.30 115.29 124.49 2k5q s HIS 69 Ca 0.26 0.48 0.00 0.00 0.25 0.00 0.00 55.06 56.06 2k5q s HIS 69 Cb -0.15 -4.34 -0.04 0.00 -1.18 0.00 0.00 32.58 26.86 2k5q s HIS 69 CO 0.11 -2.11 0.18 -1.12 -0.65 0.00 0.00 174.74 171.15 2k5q s SER 70 N 5.13 6.22 0.19 9.88 0.01 -1.26 -4.62 113.70 129.26 2k5q s SER 70 Ca 0.55 0.24 -0.10 0.00 1.31 0.00 0.00 55.95 57.95 2k5q s SER 70 Cb -0.12 -1.89 0.12 0.00 0.21 0.00 0.00 66.02 64.35 2k5q s SER 70 CO 0.24 0.19 1.79 -0.78 0.41 0.00 0.00 173.24 175.08 2k5q h ASP 71 N 3.24 0.92 0.00 2.44 3.58 -2.01 -1.92 116.42 122.66 2k5q h ASP 71 Ca -0.46 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 56.86 2k5q h ASP 71 Cb 1.16 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2k5q h ASP 71 CO 0.73 0.79 -0.00 0.29 -2.88 0.00 0.00 179.24 178.17 2k5q n LYS 72 N -4.44 1.19 0.00 0.28 5.02 -1.26 -5.04 118.16 113.91 2k5q n LYS 72 Ca 0.06 -0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 2k5q n LYS 72 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 2k5q n LYS 72 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k5q n LYS 73 N -0.65 0.00 0.00 1.97 4.01 -0.72 -4.91 118.16 117.85 2k5q n LYS 73 Ca 0.22 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.02 2k5q n LYS 73 Cb 0.19 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.71 2k5q n LYS 73 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k5q n GLY 74 N 0.00 2.64 2.28 0.72 0.00 -1.14 -4.64 105.19 105.05 2k5q n GLY 74 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.91-11.14 0.67 1.61 0.31 -1.23 -3.90 118.33 102.74 2k5q n VAL 75 Ca 0.00 2.37 0.11 0.00 -0.01 0.00 0.00 64.34 66.81 2k5q n VAL 75 Cb 0.00 -5.82 0.45 0.00 -0.91 0.00 0.00 33.84 27.56 2k5q n VAL 75 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2k5q n SER 76 N 1.41 0.22 -3.64 4.52 2.88 -1.26 -4.76 113.62 112.99 2k5q n SER 76 Ca -0.23 0.54 -0.11 0.00 -1.33 0.00 0.00 58.87 57.73 2k5q n SER 76 Cb 0.36 -0.59 -0.07 0.00 -0.75 0.00 0.00 64.21 63.15 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 -3.06 -1.74 -0.11 -1.46 0.00 -1.26 -5.08 121.76 109.05 2k5q s ALA 77 Ca 0.09 2.09 -0.09 0.00 0.00 0.00 0.00 51.96 54.05 2k5q s ALA 77 Cb 0.13 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 22.06 2k5q s ALA 77 CO 0.42 -0.34 0.29 1.67 0.00 0.00 0.00 175.76 177.79 2k5q s TRP 78 N 0.83 -0.34 -0.03 0.00 1.48 -1.26 -1.50 118.94 118.13 2k5q s TRP 78 Ca -0.04 0.80 0.06 0.00 -1.06 0.00 0.00 56.10 55.87 2k5q s TRP 78 Cb -0.05 0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.35 2k5q s TRP 78 CO -0.07 -0.18 -0.21 -1.21 -4.06 0.00 0.00 176.95 171.22 2k5q s GLU 79 N 0.45 1.89 -0.06 3.25 2.02 -0.56 -4.97 118.70 120.71 2k5q s GLU 79 Ca -0.02 -0.76 -0.26 0.00 0.02 0.00 0.00 54.97 53.94 2k5q s GLU 79 Cb -0.04 -1.74 -0.03 0.00 0.10 0.00 0.00 34.13 32.42 2k5q s GLU 79 CO -0.02 0.41 0.82 -2.00 0.02 0.00 0.00 175.26 174.48 2k5q s GLU 80 N -0.34 4.46 0.04 1.61 2.12 -1.26 0.16 118.70 125.49 2k5q s GLU 80 Ca 0.04 1.09 0.05 0.00 0.36 0.00 0.00 54.97 56.51 2k5q s GLU 80 Cb -0.10 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 2k5q s GLU 80 CO 0.01 -0.04 -0.15 0.14 -0.54 0.00 0.00 175.26 174.67 2k5q s VAL 81 N 1.11 1.17 0.70 3.70 -7.23 0.05 -4.92 120.40 114.98 2k5q s VAL 81 Ca 0.43 -1.05 -0.09 0.00 -1.81 0.00 0.00 61.98 59.46 2k5q s VAL 81 Cb -0.19 -1.06 0.04 0.00 0.56 0.00 0.00 36.38 35.73 2k5q s VAL 81 CO 0.20 0.01 1.05 -0.54 -0.31 0.00 0.00 175.10 175.51 2k5q s LYS 82 N -1.20 2.49 0.35 4.82 1.02 -1.26 -2.26 119.74 123.69 2k5q s LYS 82 Ca 0.02 0.08 0.06 0.00 0.02 0.00 0.00 55.97 56.15 2k5q s LYS 82 Cb -0.08 -2.10 0.64 0.00 -0.52 0.00 0.00 37.83 35.76 2k5q s LYS 82 CO 0.01 -1.14 1.85 0.87 -0.92 0.00 0.00 175.35 176.03 2k5q h LYS 83 N -0.62 0.38 0.00 1.68 6.56 -1.94 -1.67 116.57 120.96 2k5q h LYS 83 Ca -0.45 -0.10 -0.00 0.00 -1.06 0.00 0.00 60.65 59.04 2k5q h LYS 83 Cb 1.29 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.90 2k5q h LYS 83 CO 0.63 0.51 -0.02 0.22 -2.06 0.00 0.00 179.45 178.73 2k5q h ASP 84 N 0.35 0.00 0.02 0.86 3.58 -2.04 -1.90 116.42 117.29 2k5q h ASP 84 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k5q h ASP 84 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2k5q h ASP 84 CO 0.03 0.02 -0.01 -0.62 -2.88 0.00 0.00 179.24 175.77 2k5q n GLU 85 N -3.30 1.32 -3.51 0.28 -0.58 -0.63 -4.84 120.64 109.38 2k5q n GLU 85 Ca -0.02 -0.53 -0.38 0.00 -0.42 0.00 0.00 57.16 55.81 2k5q n GLU 85 Cb 0.12 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.41 2k5q n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k5q s LEU 86 N -2.04 4.10 0.54 -4.62 1.43 -0.72 -4.95 118.68 112.42 2k5q s LEU 86 Ca 0.41 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.63 2k5q s LEU 86 Cb 0.21 -2.30 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 2k5q s LEU 86 CO 0.36 -0.04 0.98 -2.16 0.23 0.00 0.00 176.35 175.71 2k5q s PRO 87 N 1.42 3.82 0.62 1.29 0.04 -1.26 -4.95 135.00 135.98 2k5q s PRO 87 Ca 0.13 0.83 0.31 0.00 0.04 0.00 0.00 61.00 62.31 2k5q s PRO 87 Cb -0.15 -2.15 1.74 0.00 0.04 0.00 0.00 34.50 33.98 2k5q s PRO 87 CO 0.07 -0.34 2.06 0.00 0.04 0.00 0.00 177.00 178.84 2k5q h ALA 88 N 0.55 1.62 -0.22 8.56 0.00 -1.99 -1.81 119.26 125.97 2k5q h ALA 88 Ca -0.46 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.51 2k5q h ALA 88 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k5q h ALA 88 CO 0.62 -0.32 0.28 0.87 0.00 0.00 0.00 179.25 180.70 2k5q h LYS 89 N 0.00 0.00 -0.29 0.00 1.57 -1.99 0.11 116.57 115.97 2k5q h LYS 89 Ca 0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 2k5q h LYS 89 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2k5q h LYS 89 CO -0.00 0.00 -0.26 0.28 -0.57 0.00 0.00 179.45 178.90 2k5q h VAL 90 N 0.00 1.30 0.00 0.50 2.07 -1.72 -3.19 116.25 115.21 2k5q h VAL 90 Ca 0.10 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.21 2k5q h VAL 90 Cb 0.67 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2k5q h VAL 90 CO -0.00 0.45 0.00 0.11 0.02 0.00 0.00 177.57 178.15 2k5q h LYS 91 N 0.43 0.00 0.00 1.57 1.57 -1.03 -1.43 116.57 117.68 2k5q h LYS 91 Ca 0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2k5q h LYS 91 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 2k5q h LYS 91 CO 0.07 0.00 -0.00 0.93 -0.57 0.00 0.00 179.45 179.87 2k5q h GLU 92 N 0.00 0.00 0.00 3.15 5.08 -1.18 0.02 114.58 121.65 2k5q h GLU 92 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 2k5q h GLU 92 Cb 0.80 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 2k5q h GLU 92 CO 0.00 0.00 -1.76 1.63 -1.00 0.00 0.00 179.01 177.88 2k5q n LYS 93 N -3.10 0.31 -3.19 2.33 4.01 -1.05 -4.01 118.16 113.45 2k5q n LYS 93 Ca -0.03 0.11 -0.46 0.00 -0.51 0.00 0.00 58.31 57.42 2k5q n LYS 93 Cb 0.08 -1.11 -0.02 0.00 -0.51 0.00 0.00 35.03 33.47 2k5q n LYS 93 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2k5q s LEU 94 N -6.32 6.13 0.00 -0.35 1.02 -0.56 -4.46 118.68 114.14 2k5q s LEU 94 Ca -0.19 -2.40 0.00 0.00 0.02 0.00 0.00 54.13 51.56 2k5q s LEU 94 Cb 0.06 -2.28 0.00 0.00 0.02 0.00 0.00 46.19 44.00 2k5q s LEU 94 CO 0.27 -0.77 0.00 0.61 0.02 0.00 0.00 176.35 176.48 2k5q n GLY 95 N 4.56 3.44 3.57 -3.19 0.00 -1.24 -4.43 105.19 107.89 2k5q n GLY 95 Ca 0.15 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 3.24 0.00 1.61 1.01 -0.01 -5.03 120.40 121.21 2k5q s VAL 96 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.47 2k5q s VAL 96 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.82 2k5q s VAL 96 CO 0.00 -0.02 0.28 0.29 0.00 0.00 0.00 175.10 175.65 2k5q n LYS 97 N 0.32 1.37 -2.60 2.72 4.01 -1.26 -3.55 118.16 119.17 2k5q n LYS 97 Ca -0.12 -0.28 -0.05 0.00 -0.51 0.00 0.00 58.31 57.35 2k5q n LYS 97 Cb 0.54 -0.75 -0.04 0.00 -0.51 0.00 0.00 35.03 34.27 2k5q n LYS 97 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2k5q n LEU 98 N -0.28 -6.07 -0.02 -0.35 4.32 -1.26 -5.03 117.00 108.31 2k5q n LEU 98 Ca 0.00 2.31 -0.04 0.00 -0.02 0.00 0.00 56.01 58.26 2k5q n LEU 98 Cb 0.03 -3.17 -0.02 0.00 -1.62 0.00 0.00 43.42 38.63 2k5q n LEU 98 CO 0.00 -3.88 -0.65 -1.84 -1.22 0.00 0.00 177.39 169.80 2k5q n GLU 99 N 1.80 0.11 -3.42 3.23 0.28 -1.26 -5.01 120.64 116.38 2k5q n GLU 99 Ca -0.36 0.03 -0.38 0.00 -0.16 0.00 0.00 57.16 56.30 2k5q n GLU 99 Cb 0.55 -0.99 -0.07 0.00 1.43 0.00 0.00 31.44 32.36 2k5q n GLU 99 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2k5q s HIS 100 N -2.09 3.40 -0.26 -1.84 2.46 -1.26 -5.06 115.29 110.64 2k5q s HIS 100 Ca -0.06 0.62 -0.14 0.00 0.47 0.00 0.00 55.06 55.94 2k5q s HIS 100 Cb 0.02 -2.49 0.08 0.00 -0.13 0.00 0.00 32.58 30.06 2k5q s HIS 100 CO 0.10 0.05 0.64 -1.58 -2.47 0.00 0.00 174.74 171.47 2k5q s HIS 101 N 1.11 -1.00 0.48 3.88 5.04 -1.26 -5.18 115.29 118.36 2k5q s HIS 101 Ca 0.19 2.00 0.04 0.00 -1.54 0.00 0.00 55.06 55.74 2k5q s HIS 101 Cb -0.14 0.58 -0.03 0.00 0.04 0.00 0.00 32.58 33.03 2k5q s HIS 101 CO 0.07 -0.51 0.07 -3.38 -2.34 0.00 0.00 174.74 168.65 2k5q s HIS 102 N 1.68 2.08 0.41 3.88 -3.43 -1.26 -5.16 115.29 113.48 2k5q s HIS 102 Ca -0.10 -0.84 0.08 0.00 -0.80 0.00 0.00 55.06 53.41 2k5q s HIS 102 Cb -0.06 -1.72 0.01 0.00 -1.43 0.00 0.00 32.58 29.38 2k5q s HIS 102 CO -0.19 0.20 0.56 -1.01 -2.00 0.00 0.00 174.74 172.31 2k5q s HIS 103 N -2.80 2.86 -0.37 0.38 3.76 -1.26 -5.07 115.29 112.79 2k5q s HIS 103 Ca 0.20 -0.37 -0.24 0.00 -0.15 0.00 0.00 55.06 54.49 2k5q s HIS 103 Cb 0.04 -2.33 0.01 0.00 1.11 0.00 0.00 32.58 31.41 2k5q s HIS 103 CO 0.11 -0.37 0.85 -1.01 -0.85 0.00 0.00 174.74 173.47 2k5q s HIS 104 N -2.33 3.09 -1.21 1.40 3.76 -1.26 -5.37 115.29 113.38 2k5q s HIS 104 Ca 0.54 0.66 0.10 0.00 -0.15 0.00 0.00 55.06 56.20 2k5q s HIS 104 Cb -0.10 -3.52 0.08 0.00 1.11 0.00 0.00 32.58 30.14 2k5q s HIS 104 CO 0.33 -0.78 0.81 1.58 -0.85 0.00 0.00 174.74 175.82