#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 5.81 0.16 7.83 1.01 -1.26 -4.81 116.67 125.41 2k5q s ASP 2 Ca 0.00 -2.47 0.27 0.00 0.71 0.00 0.00 52.55 51.05 2k5q s ASP 2 Cb 0.00 -2.00 0.85 0.00 1.01 0.00 0.00 42.92 42.78 2k5q s ASP 2 CO 0.00 -0.54 1.76 0.00 0.21 0.00 0.00 175.17 176.60 2k5q n LEU 3 N 4.13 0.65 0.10 1.23 -0.00 -1.26 -3.98 117.00 117.86 2k5q n LEU 3 Ca 0.04 0.52 -0.12 0.00 -0.00 0.00 0.00 56.01 56.45 2k5q n LEU 3 Cb 0.41 -0.34 -0.05 0.00 -0.00 0.00 0.00 43.42 43.44 2k5q n LEU 3 CO 0.37 -0.13 0.73 0.78 -0.00 0.00 0.00 177.39 179.14 2k5q h ASN 4 N 0.00 -0.56 -3.73 1.45 4.21 -2.09 -3.31 115.58 111.55 2k5q h ASN 4 Ca 0.00 0.07 -0.76 0.00 1.21 0.00 0.00 56.30 56.82 2k5q h ASN 4 Cb 0.69 0.21 -0.30 0.00 -1.12 0.00 0.00 38.32 37.80 2k5q h ASN 4 CO 0.00 -0.28 0.05 -0.13 -1.29 0.00 0.00 177.43 175.78 2k5q s ARG 5 N -6.10 3.48 0.81 0.81 0.52 -1.26 -5.05 118.95 112.16 2k5q s ARG 5 Ca -0.15 -2.85 -0.09 0.00 -0.52 0.00 0.00 55.73 52.12 2k5q s ARG 5 Cb 0.08 -4.22 0.14 0.00 0.52 0.00 0.00 34.95 31.46 2k5q s ARG 5 CO 0.66 -1.25 1.13 -1.64 0.02 0.00 0.00 175.30 174.22 2k5q s MET 6 N -0.58 1.43 0.00 3.54 -1.94 -1.25 -4.88 119.30 115.63 2k5q s MET 6 Ca 0.23 -0.56 0.00 0.00 -1.71 0.00 0.00 55.69 53.65 2k5q s MET 6 Cb -0.11 -2.09 0.00 0.00 2.01 0.00 0.00 34.83 34.64 2k5q s MET 6 CO -0.08 -1.77 0.00 0.41 -0.01 0.00 0.00 175.02 173.57 2k5q n GLY 7 N -3.23 0.32 2.17 -0.03 0.00 -1.26 -4.98 105.19 98.18 2k5q n GLY 7 Ca 0.13 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 2k5q n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k5q n LYS 8 N -0.37 2.08 -0.98 1.61 4.76 -1.26 -4.97 118.16 119.02 2k5q n LYS 8 Ca 0.00 -1.85 -0.30 0.00 -2.87 0.00 0.00 58.31 53.29 2k5q n LYS 8 Cb 0.17 -1.87 0.25 0.00 -1.84 0.00 0.00 35.03 31.74 2k5q n LYS 8 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k5q s ASP 9 N 0.43 0.45 0.25 4.39 1.11 -1.26 -3.34 116.67 118.71 2k5q s ASP 9 Ca 0.46 0.60 -0.17 0.00 0.18 0.00 0.00 52.55 53.62 2k5q s ASP 9 Cb 0.31 -0.80 -0.08 0.00 1.07 0.00 0.00 42.92 43.41 2k5q s ASP 9 CO -0.10 -4.41 0.70 -1.83 1.18 0.00 0.00 175.17 170.71 2k5q s GLU 10 N -5.42 4.10 0.15 8.23 1.03 -1.26 -1.17 118.70 124.37 2k5q s GLU 10 Ca 0.71 0.71 0.10 0.00 0.03 0.00 0.00 54.97 56.53 2k5q s GLU 10 Cb -0.09 -2.70 -0.04 0.00 -0.80 0.00 0.00 34.13 30.50 2k5q s GLU 10 CO 0.56 0.31 -0.21 0.71 -1.33 0.00 0.00 175.26 175.29 2k5q s TYR 11 N -1.71 2.42 -0.51 4.83 1.51 0.24 -4.88 117.35 119.26 2k5q s TYR 11 Ca 0.47 -0.32 -0.21 0.00 -1.01 0.00 0.00 57.07 56.00 2k5q s TYR 11 Cb -0.14 -1.26 0.05 0.00 -0.11 0.00 0.00 41.96 40.50 2k5q s TYR 11 CO 0.19 0.41 0.74 0.71 -1.11 0.00 0.00 175.55 176.50 2k5q s TYR 12 N -1.31 2.96 0.02 2.71 2.02 -1.24 -1.34 117.35 121.17 2k5q s TYR 12 Ca 0.18 -0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 56.62 2k5q s TYR 12 Cb -0.10 -3.70 -0.04 0.00 -0.40 0.00 0.00 41.96 37.73 2k5q s TYR 12 CO 0.09 -1.11 0.17 0.14 -1.57 0.00 0.00 175.55 173.27 2k5q s VAL 13 N 3.14 5.26 0.19 0.71 -7.23 -0.82 -2.44 120.40 119.21 2k5q s VAL 13 Ca 0.22 -0.30 0.09 0.00 -1.81 0.00 0.00 61.98 60.17 2k5q s VAL 13 Cb -0.16 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 2k5q s VAL 13 CO 0.16 0.26 -0.08 -1.10 -0.31 0.00 0.00 175.10 174.03 2k5q s GLN 14 N -2.11 2.11 -1.01 4.82 -1.52 -1.19 -2.62 119.66 118.15 2k5q s GLN 14 Ca 0.29 -1.27 -0.24 0.00 -1.95 0.00 0.00 55.36 52.19 2k5q s GLN 14 Cb -0.13 -2.18 -0.07 0.00 -0.22 0.00 0.00 33.01 30.42 2k5q s GLN 14 CO 0.21 0.43 1.96 0.42 -0.25 0.00 0.00 175.29 178.06 2k5q s ILE 15 N -1.76 3.46 -0.03 1.08 -1.09 -1.26 -4.11 121.20 117.49 2k5q s ILE 15 Ca 0.26 -0.56 -0.22 0.00 -2.23 0.00 0.00 60.65 57.90 2k5q s ILE 15 Cb -0.09 -4.18 -0.27 0.00 -1.58 0.00 0.00 42.46 36.34 2k5q s ILE 15 CO 0.16 -0.92 0.99 0.71 -1.23 0.00 0.00 174.94 174.64 2k5q h THR 16 N 6.87 1.50 -3.54 2.92 1.35 -1.94 -3.46 112.91 116.60 2k5q h THR 16 Ca 0.14 -2.28 -0.31 0.00 -0.55 0.00 0.00 66.41 63.41 2k5q h THR 16 Cb 0.98 2.92 -0.33 0.00 -1.73 0.00 0.00 68.15 69.99 2k5q h THR 16 CO 1.21 0.65 -0.74 0.68 -0.25 0.00 0.00 175.52 177.07 2k5q s VAL 17 N -2.81 0.05 0.17 6.82 -7.23 -1.26 -5.09 120.40 111.05 2k5q s VAL 17 Ca -0.14 0.14 0.10 0.00 -1.81 0.00 0.00 61.98 60.27 2k5q s VAL 17 Cb 0.02 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.76 2k5q s VAL 17 CO 0.81 0.10 -0.21 1.51 -0.31 0.00 0.00 175.10 177.00 2k5q s ASP 18 N 0.91 3.05 0.00 4.85 -4.77 -1.26 -4.31 116.67 115.14 2k5q s ASP 18 Ca -0.08 -0.85 0.00 0.00 -3.30 0.00 0.00 52.55 48.32 2k5q s ASP 18 Cb -0.12 -0.20 0.00 0.00 -1.09 0.00 0.00 42.92 41.51 2k5q s ASP 18 CO -0.02 0.05 0.00 0.61 0.70 0.00 0.00 175.17 176.51 2k5q n GLY 19 N 0.33 0.29 3.56 2.12 0.00 -1.26 -4.90 105.19 105.33 2k5q n GLY 19 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2k5q n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5q s LYS 20 N -0.91 3.18 0.53 1.61 -2.85 -1.22 -4.74 119.74 115.34 2k5q s LYS 20 Ca 0.00 -0.81 -0.19 0.00 -1.00 0.00 0.00 55.97 53.97 2k5q s LYS 20 Cb 0.00 -5.25 -0.06 0.00 -2.06 0.00 0.00 37.83 30.46 2k5q s LYS 20 CO 0.00 -2.68 1.08 -1.83 0.10 0.00 0.00 175.35 172.02 2k5q s GLU 21 N 5.77 3.51 -0.44 1.78 -1.05 -1.26 -1.90 118.70 125.11 2k5q s GLU 21 Ca 0.56 1.45 0.03 0.00 -0.15 0.00 0.00 54.97 56.85 2k5q s GLU 21 Cb -0.03 -2.04 0.12 0.00 -0.44 0.00 0.00 34.13 31.74 2k5q s GLU 21 CO -0.06 -0.69 0.19 0.14 0.95 0.00 0.00 175.26 175.79 2k5q s VAL 22 N -1.97 2.00 -0.54 1.83 -7.23 0.10 -4.82 120.40 109.78 2k5q s VAL 22 Ca 0.69 -2.69 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 2k5q s VAL 22 Cb -0.20 -2.42 0.43 0.00 0.56 0.00 0.00 36.38 34.75 2k5q s VAL 22 CO 0.26 -0.77 1.22 0.00 -0.31 0.00 0.00 175.10 175.50 2k5q n HIS 23 N 3.66 1.21 0.00 2.82 1.44 -1.26 -3.64 115.22 119.45 2k5q n HIS 23 Ca 0.05 -0.53 0.00 0.00 -2.01 0.00 0.00 57.72 55.23 2k5q n HIS 23 Cb 0.36 -0.37 0.00 0.00 0.12 0.00 0.00 29.99 30.09 2k5q n HIS 23 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2k5q n SER 24 N 0.21 0.00 -0.46 4.39 2.88 -1.26 -1.27 113.62 118.11 2k5q n SER 24 Ca 0.18 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2k5q n SER 24 Cb 0.82 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.28 2k5q n SER 24 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2k5q n LYS 25 N 0.00 0.00 0.00 -1.46 2.85 -1.26 -4.98 118.16 113.30 2k5q n LYS 25 Ca 0.00 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 2k5q n LYS 25 Cb 0.00 0.03 0.00 0.00 -0.65 0.00 0.00 35.03 34.41 2k5q n LYS 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k5q n ALA 26 N 0.00 2.41 -1.69 0.58 0.00 -0.39 -4.91 120.51 116.51 2k5q n ALA 26 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.98 2k5q n ALA 26 Cb 0.44 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 2k5q n ALA 26 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k5q n ASP 27 N 0.23 3.35 -1.78 0.00 8.00 -1.26 -0.98 116.55 124.11 2k5q n ASP 27 Ca 0.00 1.09 -0.17 0.00 0.71 0.00 0.00 54.79 56.43 2k5q n ASP 27 Cb 0.33 -1.48 -0.02 0.00 -0.02 0.00 0.00 41.12 39.93 2k5q n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2k5q n ASN 28 N 3.20 -4.91 0.00 -2.24 2.85 -1.26 -4.80 115.26 108.10 2k5q n ASN 28 Ca 0.15 0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 2k5q n ASN 28 Cb 0.32 -3.99 0.00 0.00 1.24 0.00 0.00 39.78 37.34 2k5q n ASN 28 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k5q n GLY 29 N -1.00 0.00 3.54 8.20 0.00 -0.16 -5.11 105.19 110.66 2k5q n GLY 29 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 3.49 0.00 1.61 1.11 -0.57 -4.71 119.66 120.59 2k5q s GLN 30 Ca 0.00 -0.99 0.27 0.00 0.01 0.00 0.00 55.36 54.65 2k5q s GLN 30 Cb 0.00 -5.02 0.95 0.00 -1.01 0.00 0.00 33.01 27.93 2k5q s GLN 30 CO 0.00 -2.14 1.68 1.63 0.01 0.00 0.00 175.29 176.48 2k5q n LYS 31 N 8.70 1.30 -3.76 2.91 5.02 -1.26 -4.86 118.16 126.20 2k5q n LYS 31 Ca 0.24 -0.74 -0.13 0.00 -2.02 0.00 0.00 58.31 55.67 2k5q n LYS 31 Cb 0.50 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.22 -0.31 -0.35 2.13 1.13 -1.26 -5.13 117.35 111.35 2k5q s TYR 32 Ca 0.32 0.73 -0.01 0.00 -1.41 0.00 0.00 57.07 56.71 2k5q s TYR 32 Cb 0.20 0.08 0.19 0.00 -1.10 0.00 0.00 41.96 41.33 2k5q s TYR 32 CO 0.41 -0.18 0.83 0.21 -2.51 0.00 0.00 175.55 174.32 2k5q s LYS 33 N 0.57 0.47 -0.04 -3.49 2.20 -1.26 -4.77 119.74 113.42 2k5q s LYS 33 Ca -0.04 -0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.52 2k5q s LYS 33 Cb -0.05 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.32 2k5q s LYS 33 CO -0.03 -0.71 0.06 -0.51 -0.36 0.00 0.00 175.35 173.80 2k5q s ASP 34 N 2.14 5.61 0.10 1.43 1.01 -1.24 -4.96 116.67 120.77 2k5q s ASP 34 Ca 0.16 0.17 -0.25 0.00 0.71 0.00 0.00 52.55 53.35 2k5q s ASP 34 Cb -0.02 -1.62 -0.07 0.00 1.01 0.00 0.00 42.92 42.22 2k5q s ASP 34 CO -0.14 0.31 0.76 -0.31 0.21 0.00 0.00 175.17 176.01 2k5q s TYR 35 N -1.09 3.82 0.05 4.23 2.02 -1.17 0.01 117.35 125.22 2k5q s TYR 35 Ca 0.19 1.54 0.09 0.00 -0.37 0.00 0.00 57.07 58.53 2k5q s TYR 35 Cb -0.12 -2.78 -0.03 0.00 -0.40 0.00 0.00 41.96 38.63 2k5q s TYR 35 CO 0.10 0.40 -0.25 -2.00 -1.57 0.00 0.00 175.55 172.22 2k5q s GLU 36 N -0.61 1.71 -0.19 -0.62 -6.30 -0.80 0.05 118.70 111.94 2k5q s GLU 36 Ca 0.37 -1.09 -0.02 0.00 -2.50 0.00 0.00 54.97 51.73 2k5q s GLU 36 Cb -0.22 -1.90 0.06 0.00 0.00 0.00 0.00 34.13 32.07 2k5q s GLU 36 CO 0.24 0.49 0.01 0.71 0.02 0.00 0.00 175.26 176.73 2k5q s TYR 37 N -0.82 1.34 -0.82 5.30 1.51 0.88 -3.42 117.35 121.33 2k5q s TYR 37 Ca 0.11 -1.00 -0.11 0.00 -1.01 0.00 0.00 57.07 55.06 2k5q s TYR 37 Cb -0.10 -1.15 0.21 0.00 -0.11 0.00 0.00 41.96 40.82 2k5q s TYR 37 CO 0.02 -0.62 0.73 0.21 -1.11 0.00 0.00 175.55 174.78 2k5q s LYS 38 N 1.75 3.43 -0.02 -0.62 2.20 -1.26 -1.08 119.74 124.14 2k5q s LYS 38 Ca -0.01 -2.59 -0.01 0.00 -0.36 0.00 0.00 55.97 53.00 2k5q s LYS 38 Cb -0.17 -4.27 -0.04 0.00 -1.51 0.00 0.00 37.83 31.84 2k5q s LYS 38 CO -0.07 -1.26 0.08 -0.51 -0.36 0.00 0.00 175.35 173.22 2k5q s LEU 39 N -0.09 3.90 -0.21 5.43 1.43 0.94 -4.39 118.68 125.69 2k5q s LEU 39 Ca 0.19 0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 53.17 2k5q s LEU 39 Cb -0.12 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 2k5q s LEU 39 CO -0.08 0.29 1.38 -0.89 0.23 0.00 0.00 176.35 177.28 2k5q s THR 40 N -1.16 4.06 -0.21 5.49 2.01 -1.26 0.09 115.64 124.67 2k5q s THR 40 Ca 0.22 1.25 -0.09 0.00 0.31 0.00 0.00 61.69 63.38 2k5q s THR 40 Cb -0.12 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2k5q s THR 40 CO 0.12 -0.27 0.10 -0.83 -0.69 0.00 0.00 174.62 173.06 2k5q s GLY 41 N 2.77 1.95 -0.06 4.40 0.00 0.07 -3.15 107.32 113.30 2k5q s GLY 41 Ca 0.60 -0.80 -0.14 0.00 0.00 0.00 0.00 44.72 44.39 2k5q s GLY 41 CO 0.21 0.19 0.36 -1.36 0.00 0.00 0.00 173.10 172.50 2k5q s PHE 42 N 0.63 3.64 0.49 1.90 0.40 -1.02 -0.65 117.98 123.37 2k5q s PHE 42 Ca 0.05 0.85 -0.22 0.00 -0.60 0.00 0.00 56.93 57.01 2k5q s PHE 42 Cb -0.13 -2.27 -0.07 0.00 0.51 0.00 0.00 43.02 41.06 2k5q s PHE 42 CO 0.01 0.54 1.17 0.34 0.70 0.00 0.00 175.22 177.98 2k5q s ASP 43 N -0.64 5.99 0.12 1.36 -1.08 0.26 -3.66 116.67 119.02 2k5q s ASP 43 Ca 0.21 2.30 0.14 0.00 -0.52 0.00 0.00 52.55 54.68 2k5q s ASP 43 Cb -0.15 -2.60 0.65 0.00 -1.46 0.00 0.00 42.92 39.35 2k5q s ASP 43 CO 0.10 -1.04 1.44 0.29 0.52 0.00 0.00 175.17 176.48 2k5q n LYS 44 N -0.74 0.07 -0.13 4.34 5.02 -1.26 -1.97 118.16 123.49 2k5q n LYS 44 Ca 0.09 0.42 -0.28 0.00 -2.02 0.00 0.00 58.31 56.52 2k5q n LYS 44 Cb 0.49 -1.67 -0.10 0.00 -0.02 0.00 0.00 35.03 33.72 2k5q n LYS 44 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k5q n ASP 45 N -1.81 1.94 0.00 4.39 2.03 -1.26 -5.05 116.55 116.79 2k5q n ASP 45 Ca 0.01 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.67 2k5q n ASP 45 Cb 0.12 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 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 1.34 -1.30 3.18 0.27 0.00 -0.83 -5.16 105.19 102.68 2k5q n GLY 46 Ca -0.49 0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 0.82 -0.18 1.61 1.02 -1.25 -4.89 119.74 116.86 2k5q s LYS 47 Ca 0.00 -1.15 -0.03 0.00 0.02 0.00 0.00 55.97 54.81 2k5q s LYS 47 Cb 0.00 0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.58 2k5q s LYS 47 CO 0.00 -0.23 -0.06 -1.21 -0.92 0.00 0.00 175.35 172.93 2k5q s GLU 48 N -3.92 3.45 -0.20 1.68 2.02 -1.26 -0.58 118.70 119.88 2k5q s GLU 48 Ca 0.10 -0.61 -0.07 0.00 0.02 0.00 0.00 54.97 54.41 2k5q s GLU 48 Cb 0.06 -2.90 0.09 0.00 0.10 0.00 0.00 34.13 31.48 2k5q s GLU 48 CO -0.07 -0.00 0.43 0.21 0.02 0.00 0.00 175.26 175.85 2k5q s LYS 49 N 0.96 0.35 0.06 1.61 2.36 0.18 -4.99 119.74 120.27 2k5q s LYS 49 Ca -0.00 1.05 -0.31 0.00 -2.55 0.00 0.00 55.97 54.16 2k5q s LYS 49 Cb -0.15 0.34 -0.06 0.00 -1.05 0.00 0.00 37.83 36.92 2k5q s LYS 49 CO 0.00 -0.24 1.20 -1.21 1.55 0.00 0.00 175.35 176.66 2k5q s GLU 50 N 2.54 4.43 -0.05 4.03 2.02 -1.26 -0.75 118.70 129.66 2k5q s GLU 50 Ca -0.03 1.78 0.02 0.00 0.02 0.00 0.00 54.97 56.76 2k5q s GLU 50 Cb -0.12 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 2k5q s GLU 50 CO -0.13 -0.26 -0.08 -0.51 0.02 0.00 0.00 175.26 174.30 2k5q s LEU 51 N 1.03 3.12 -0.00 1.80 2.01 0.11 -4.83 118.68 121.93 2k5q s LEU 51 Ca 0.59 -0.06 0.01 0.00 0.01 0.00 0.00 54.13 54.67 2k5q s LEU 51 Cb -0.30 -1.70 -0.00 0.00 0.01 0.00 0.00 46.19 44.21 2k5q s LEU 51 CO 0.29 0.35 -0.03 -1.83 1.01 0.00 0.00 176.35 176.14 2k5q s GLU 52 N -0.91 0.24 0.16 1.70 -1.05 -1.26 -0.04 118.70 117.55 2k5q s GLU 52 Ca 0.13 -0.10 -0.20 0.00 -0.15 0.00 0.00 54.97 54.66 2k5q s GLU 52 Cb -0.11 -0.24 0.05 0.00 -0.44 0.00 0.00 34.13 33.39 2k5q s GLU 52 CO 0.02 0.06 0.53 -0.59 0.95 0.00 0.00 175.26 176.23 2k5q s PHE 53 N -0.03 -0.32 0.23 4.83 -0.71 -0.24 -3.26 117.98 118.47 2k5q s PHE 53 Ca 0.01 0.04 0.03 0.00 -1.04 0.00 0.00 56.93 55.96 2k5q s PHE 53 Cb -0.02 0.44 -0.03 0.00 -1.21 0.00 0.00 43.02 42.20 2k5q s PHE 53 CO -0.00 -0.84 0.38 0.95 -1.34 0.00 0.00 175.22 174.37 2k5q s THR 54 N -3.80 5.24 0.35 -4.49 -4.23 -1.26 -0.08 115.64 107.35 2k5q s THR 54 Ca 0.04 -0.71 0.04 0.00 -1.18 0.00 0.00 61.69 59.88 2k5q s THR 54 Cb -0.00 -3.81 -0.02 0.00 1.34 0.00 0.00 72.50 70.01 2k5q s THR 54 CO -0.09 -0.29 0.37 0.00 -0.54 0.00 0.00 174.62 174.07 2k5q s ALA 55 N -1.97 1.45 -0.18 3.99 0.00 0.11 -4.96 121.76 120.20 2k5q s ALA 55 Ca 0.36 -1.87 0.07 0.00 0.00 0.00 0.00 51.96 50.51 2k5q s ALA 55 Cb -0.10 1.34 -0.22 0.00 0.00 0.00 0.00 23.12 24.14 2k5q s ALA 55 CO 0.30 -0.72 0.13 0.00 0.00 0.00 0.00 175.76 175.47 2k5q n GLN 56 N -0.62 0.68 -4.60 0.00 -0.00 -1.26 -3.03 117.38 108.55 2k5q n GLN 56 Ca 0.05 0.15 -0.29 0.00 -0.00 0.00 0.00 57.00 56.91 2k5q n GLN 56 Cb 0.62 -1.60 -0.08 0.00 -0.00 0.00 0.00 30.24 29.18 2k5q n GLN 56 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2k5q s LYS 57 N -2.53 2.06 -0.50 2.61 1.02 -1.26 -4.81 119.74 116.33 2k5q s LYS 57 Ca -0.20 -2.30 -0.28 0.00 0.02 0.00 0.00 55.97 53.21 2k5q s LYS 57 Cb 0.07 -0.86 0.02 0.00 -0.52 0.00 0.00 37.83 36.55 2k5q s LYS 57 CO 0.74 -0.49 1.33 1.21 -0.92 0.00 0.00 175.35 177.22 2k5q s ASN 58 N -3.71 6.33 1.13 2.83 3.84 -1.26 -4.87 114.94 119.23 2k5q s ASN 58 Ca 0.16 0.47 -0.16 0.00 0.21 0.00 0.00 52.86 53.53 2k5q s ASN 58 Cb 0.01 -2.55 0.25 0.00 -0.55 0.00 0.00 41.25 38.42 2k5q s ASN 58 CO 0.11 -1.50 1.09 -0.76 -2.79 0.00 0.00 177.10 173.25 2k5q s LEU 59 N 5.41 0.97 -0.54 3.21 1.43 -1.26 -4.86 118.68 123.03 2k5q s LEU 59 Ca 0.53 0.88 -0.26 0.00 -1.03 0.00 0.00 54.13 54.24 2k5q s LEU 59 Cb -0.10 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.30 2k5q s LEU 59 CO 0.29 -3.80 2.16 -0.13 0.23 0.00 0.00 176.35 175.10 2k5q s ARG 60 N -5.19 2.34 0.00 1.70 0.52 -1.26 -4.82 118.95 112.24 2k5q s ARG 60 Ca 0.69 1.05 0.00 0.00 -0.52 0.00 0.00 55.73 56.94 2k5q s ARG 60 Cb -0.14 -4.49 0.00 0.00 0.52 0.00 0.00 34.95 30.84 2k5q s ARG 60 CO 0.57 -3.03 0.36 1.63 0.02 0.00 0.00 175.30 174.85 2k5q n LYS 61 N 9.09 0.47 0.00 3.54 5.02 -1.26 -1.77 118.16 133.25 2k5q n LYS 61 Ca 0.29 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2k5q n LYS 61 Cb 0.54 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 2k5q n LYS 61 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2k5q n GLU 62 N -0.15 0.16 -2.16 1.97 2.13 -1.26 -4.81 120.64 116.52 2k5q n GLU 62 Ca 0.00 -0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.54 2k5q n GLU 62 Cb 0.05 -0.13 0.14 0.00 0.27 0.00 0.00 31.44 31.77 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 -0.02 2.83 -0.09 4.31 0.00 -0.73 -4.96 121.76 123.11 2k5q s ALA 63 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.72 2k5q s ALA 63 Cb 0.00 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 2k5q s ALA 63 CO 0.00 -1.91 -0.11 -0.06 0.00 0.00 0.00 175.76 173.67 2k5q s PHE 64 N -3.55 2.81 -0.14 0.00 0.40 -1.06 -4.44 117.98 112.00 2k5q s PHE 64 Ca 0.69 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.73 2k5q s PHE 64 Cb -0.06 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 2k5q s PHE 64 CO 0.49 0.09 -0.06 -0.51 0.70 0.00 0.00 175.22 175.92 2k5q s LEU 65 N -0.35 3.11 -0.81 -0.37 1.02 -1.08 -0.87 118.68 119.34 2k5q s LEU 65 Ca 0.04 -0.17 -0.23 0.00 0.02 0.00 0.00 54.13 53.79 2k5q s LEU 65 Cb -0.12 -1.73 0.07 0.00 0.02 0.00 0.00 46.19 44.42 2k5q s LEU 65 CO 0.02 0.18 1.18 -0.13 0.02 0.00 0.00 176.35 177.62 2k5q s ARG 66 N 0.28 3.33 -0.15 1.70 0.52 -0.36 -1.94 118.95 122.32 2k5q s ARG 66 Ca -0.05 -0.94 -0.09 0.00 -0.52 0.00 0.00 55.73 54.13 2k5q s ARG 66 Cb -0.14 -4.59 -0.05 0.00 0.52 0.00 0.00 34.95 30.69 2k5q s ARG 66 CO 0.04 -1.97 0.16 0.14 0.02 0.00 0.00 175.30 173.68 2k5q s VAL 67 N 4.38 5.44 -0.46 3.52 -7.23 -0.45 -2.46 120.40 123.12 2k5q s VAL 67 Ca 0.32 0.25 -0.28 0.00 -1.81 0.00 0.00 61.98 60.47 2k5q s VAL 67 Cb -0.09 -3.46 -0.01 0.00 0.56 0.00 0.00 36.38 33.38 2k5q s VAL 67 CO 0.03 0.53 1.74 -0.47 -0.31 0.00 0.00 175.10 176.62 2k5q s TYR 68 N -0.35 1.87 -0.76 2.82 5.04 0.38 -0.59 117.35 125.76 2k5q s TYR 68 Ca 0.13 0.68 -0.26 0.00 -2.44 0.00 0.00 57.07 55.18 2k5q s TYR 68 Cb -0.12 -4.16 -0.00 0.00 0.35 0.00 0.00 41.96 38.03 2k5q s TYR 68 CO 0.02 -2.51 1.65 -1.58 -1.34 0.00 0.00 175.55 171.79 2k5q s HIS 69 N 7.44 1.98 -0.19 4.97 5.65 -0.31 -3.30 115.29 131.53 2k5q s HIS 69 Ca 0.71 0.29 0.01 0.00 0.25 0.00 0.00 55.06 56.32 2k5q s HIS 69 Cb -0.17 -4.32 0.03 0.00 -1.18 0.00 0.00 32.58 26.94 2k5q s HIS 69 CO 0.28 -2.09 -0.18 -1.12 -0.65 0.00 0.00 174.74 170.97 2k5q s SER 70 N 6.38 3.32 0.07 9.88 0.01 -0.89 -4.34 113.70 128.13 2k5q s SER 70 Ca 0.55 -0.76 -0.26 0.00 1.31 0.00 0.00 55.95 56.79 2k5q s SER 70 Cb -0.09 -1.48 -0.12 0.00 0.21 0.00 0.00 66.02 64.55 2k5q s SER 70 CO 0.11 -0.03 1.41 -2.24 0.41 0.00 0.00 173.24 172.90 2k5q h ASP 71 N 7.92 -1.08 -0.10 2.44 2.03 -1.93 0.93 116.42 126.64 2k5q h ASP 71 Ca -0.41 0.10 -0.01 0.00 -0.73 0.00 0.00 57.03 55.98 2k5q h ASP 71 Cb 1.12 0.37 -0.00 0.00 -0.83 0.00 0.00 39.33 39.99 2k5q h ASP 71 CO 0.61 -0.47 0.01 2.29 -1.03 0.00 0.00 179.24 180.65 2k5q n LYS 72 N -4.66 1.59 0.00 4.15 -0.00 -1.26 -3.42 118.16 114.55 2k5q n LYS 72 Ca -0.08 -0.50 0.00 0.00 -0.00 0.00 0.00 58.31 57.73 2k5q n LYS 72 Cb 0.33 -1.59 0.00 0.00 -0.00 0.00 0.00 35.03 33.77 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 0.11 0.00 0.00 -1.58 3.00 -0.97 -5.07 118.16 113.64 2k5q n LYS 73 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2k5q n LYS 73 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 35.03 35.41 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 1.05 2.66 3.14 0.00 0.32 -4.42 105.19 107.94 2k5q n GLY 74 Ca 0.00 0.50 -0.22 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.11 -0.41 1.61 1.01 -1.20 -2.09 120.40 119.21 2k5q s VAL 75 Ca 0.00 0.25 0.23 0.00 0.00 0.00 0.00 61.98 62.46 2k5q s VAL 75 Cb 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 36.38 36.18 2k5q s VAL 75 CO 0.00 0.04 1.24 -1.28 0.00 0.00 0.00 175.10 175.10 2k5q h SER 76 N 8.43 0.00 -4.78 3.32 0.87 -1.76 -3.47 113.55 116.16 2k5q h SER 76 Ca -0.13 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 2k5q h SER 76 Cb 1.13 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.89 2k5q h SER 76 CO 0.19 0.03 0.23 0.00 -0.53 0.00 0.00 176.83 176.76 2k5q s ALA 77 N -3.27 -1.79 -0.07 6.23 0.00 -1.26 -5.01 121.76 116.58 2k5q s ALA 77 Ca 0.03 1.42 -0.07 0.00 0.00 0.00 0.00 51.96 53.34 2k5q s ALA 77 Cb 0.10 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.03 2k5q s ALA 77 CO 0.74 -0.36 0.20 1.67 0.00 0.00 0.00 175.76 178.02 2k5q s TRP 78 N -1.02 -0.20 -0.05 0.00 1.48 -1.26 -0.47 118.94 117.41 2k5q s TRP 78 Ca -0.09 0.49 0.06 0.00 -1.06 0.00 0.00 56.10 55.50 2k5q s TRP 78 Cb -0.01 0.07 -0.01 0.00 -1.16 0.00 0.00 33.47 32.36 2k5q s TRP 78 CO 0.08 -0.13 -0.24 -1.21 -4.06 0.00 0.00 176.95 171.39 2k5q s GLU 79 N -0.03 2.33 -0.50 3.25 2.02 -1.03 -4.94 118.70 119.79 2k5q s GLU 79 Ca -0.01 -0.87 -0.20 0.00 0.02 0.00 0.00 54.97 53.91 2k5q s GLU 79 Cb -0.02 -2.04 0.05 0.00 0.10 0.00 0.00 34.13 32.22 2k5q s GLU 79 CO 0.00 0.40 0.68 -1.21 0.02 0.00 0.00 175.26 175.16 2k5q s GLU 80 N -0.24 3.18 0.31 1.61 2.02 -1.26 -1.23 118.70 123.09 2k5q s GLU 80 Ca -0.00 -0.70 0.09 0.00 0.02 0.00 0.00 54.97 54.38 2k5q s GLU 80 Cb -0.12 -4.07 -0.05 0.00 0.10 0.00 0.00 34.13 29.99 2k5q s GLU 80 CO 0.02 -1.23 -0.00 0.14 0.02 0.00 0.00 175.26 174.21 2k5q s VAL 81 N 2.89 2.87 0.02 2.63 -7.23 -0.05 -4.99 120.40 116.54 2k5q s VAL 81 Ca 0.19 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2k5q s VAL 81 Cb -0.17 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 2k5q s VAL 81 CO 0.14 -0.27 0.18 -0.54 -0.31 0.00 0.00 175.10 174.31 2k5q s LYS 82 N -3.70 3.39 0.60 4.82 3.01 -1.26 -2.56 119.74 124.05 2k5q s LYS 82 Ca 0.34 -0.39 0.30 0.00 -1.01 0.00 0.00 55.97 55.21 2k5q s LYS 82 Cb -0.03 -3.05 1.73 0.00 -1.01 0.00 0.00 37.83 35.48 2k5q s LYS 82 CO 0.19 0.65 2.12 1.57 0.51 0.00 0.00 175.35 180.39 2k5q h LYS 83 N 3.58 0.00 -0.03 1.68 -0.00 -1.94 -2.61 116.57 117.25 2k5q h LYS 83 Ca -0.48 0.00 0.02 0.00 -0.00 0.00 0.00 60.65 60.19 2k5q h LYS 83 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.39 2k5q h LYS 83 CO 0.71 0.00 -0.06 -0.44 -0.00 0.00 0.00 179.45 179.66 2k5q h ASP 84 N 0.00 -0.17 0.19 7.07 5.19 -2.02 -2.58 116.42 124.10 2k5q h ASP 84 Ca 0.07 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2k5q h ASP 84 Cb 0.43 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.02 2k5q h ASP 84 CO -0.00 -0.08 -0.05 -0.62 -3.12 0.00 0.00 179.24 175.37 2k5q n GLU 85 N -5.18 0.95 -3.53 3.56 1.02 -0.99 -4.81 120.64 111.67 2k5q n GLU 85 Ca -0.05 -0.28 -0.35 0.00 -0.02 0.00 0.00 57.16 56.45 2k5q n GLU 85 Cb 0.11 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.24 4.35 -0.36 -4.62 1.43 -0.97 -5.02 118.68 111.24 2k5q s LEU 86 Ca 0.37 0.86 -0.27 0.00 -1.03 0.00 0.00 54.13 54.05 2k5q s LEU 86 Cb 0.21 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 2k5q s LEU 86 CO 0.41 0.16 2.21 -2.84 0.23 0.00 0.00 176.35 176.52 2k5q s PRO 87 N -1.91 2.73 0.61 1.29 0.02 -1.26 -4.83 135.00 131.64 2k5q s PRO 87 Ca 0.34 1.62 0.29 0.00 0.02 0.00 0.00 61.00 63.27 2k5q s PRO 87 Cb -0.14 -4.43 1.59 0.00 0.02 0.00 0.00 34.50 31.53 2k5q s PRO 87 CO 0.18 -2.56 1.98 0.00 -0.33 0.00 0.00 177.00 176.27 2k5q h ALA 88 N 16.47 1.86 -1.00 -1.55 0.00 -1.92 -2.21 119.26 130.92 2k5q h ALA 88 Ca -0.33 -0.01 0.42 0.00 0.00 0.00 0.00 54.91 54.99 2k5q h ALA 88 Cb 1.24 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.87 2k5q h ALA 88 CO 1.06 -0.49 0.52 1.17 0.00 0.00 0.00 179.25 181.52 2k5q n LYS 89 N -3.57 -0.06 -0.14 0.00 4.81 -1.26 -0.56 118.16 117.38 2k5q n LYS 89 Ca 0.04 1.38 -0.06 0.00 -0.87 0.00 0.00 58.31 58.80 2k5q n LYS 89 Cb 0.49 -2.47 0.03 0.00 0.02 0.00 0.00 35.03 33.09 2k5q n LYS 89 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2k5q h VAL 90 N 0.00 0.98 0.04 3.15 2.07 -1.80 -0.90 116.25 119.79 2k5q h VAL 90 Ca 0.84 -0.15 -0.27 0.00 0.82 0.00 0.00 66.70 67.94 2k5q h VAL 90 Cb 2.22 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2k5q h VAL 90 CO -0.77 0.08 -1.38 0.50 0.02 0.00 0.00 177.57 176.02 2k5q h LYS 91 N 0.45 0.09 -0.38 1.57 3.64 -1.05 -3.20 116.57 117.68 2k5q h LYS 91 Ca 0.19 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 2k5q h LYS 91 Cb 0.09 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2k5q h LYS 91 CO -0.13 0.91 -0.16 0.93 -2.27 0.00 0.00 179.45 178.73 2k5q h GLU 92 N 0.02 0.78 0.00 1.90 5.08 -0.70 -3.24 114.58 118.42 2k5q h GLU 92 Ca -0.17 -0.33 -0.21 0.00 -1.00 0.00 0.00 59.36 57.66 2k5q h GLU 92 Cb 1.92 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.12 2k5q h GLU 92 CO 0.13 0.95 -0.99 -0.22 -1.00 0.00 0.00 179.01 177.88 2k5q h LYS 93 N 0.57 0.00 -6.04 2.33 1.63 -1.32 -3.39 116.57 110.35 2k5q h LYS 93 Ca 0.09 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.33 2k5q h LYS 93 Cb 0.71 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 2k5q h LYS 93 CO 0.05 0.95 1.41 -1.17 -3.45 0.00 0.00 179.45 177.25 2k5q s LEU 94 N -6.68 3.44 0.00 5.20 2.96 -1.21 -1.54 118.68 120.86 2k5q s LEU 94 Ca 0.01 1.32 0.00 0.00 -0.22 0.00 0.00 54.13 55.24 2k5q s LEU 94 Cb 0.10 -3.22 0.00 0.00 0.50 0.00 0.00 46.19 43.57 2k5q s LEU 94 CO 0.82 -2.07 0.00 0.61 -1.32 0.00 0.00 176.35 174.38 2k5q n GLY 95 N 5.66 0.61 3.25 7.98 0.00 -1.26 -4.97 105.19 116.45 2k5q n GLY 95 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.42 1.63 -0.24 1.61 1.01 -0.59 -5.04 120.40 116.36 2k5q s VAL 96 Ca 0.00 -1.22 0.16 0.00 0.00 0.00 0.00 61.98 60.92 2k5q s VAL 96 Cb 0.00 -1.42 0.42 0.00 0.00 0.00 0.00 36.38 35.37 2k5q s VAL 96 CO 0.00 0.16 1.31 2.29 0.00 0.00 0.00 175.10 178.87 2k5q n LYS 97 N 1.77 2.50 -4.35 2.72 -0.00 -1.26 -4.83 118.16 114.72 2k5q n LYS 97 Ca -0.17 -2.62 -0.27 0.00 -0.00 0.00 0.00 58.31 55.24 2k5q n LYS 97 Cb 0.53 -1.65 -0.08 0.00 -0.00 0.00 0.00 35.03 33.83 2k5q n LYS 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2k5q s LEU 98 N -2.55 2.88 -0.22 -5.58 1.02 -1.26 -5.06 118.68 107.90 2k5q s LEU 98 Ca 0.35 -1.27 -0.02 0.00 0.02 0.00 0.00 54.13 53.21 2k5q s LEU 98 Cb 0.29 -1.15 -0.13 0.00 0.02 0.00 0.00 46.19 45.22 2k5q s LEU 98 CO 0.08 -0.62 -0.22 -0.62 0.02 0.00 0.00 176.35 174.98 2k5q n GLU 99 N -1.22 0.53 0.00 1.70 4.71 -1.26 -4.92 120.64 120.19 2k5q n GLU 99 Ca -0.05 0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 2k5q n GLU 99 Cb 0.66 -1.41 0.00 0.00 -1.01 0.00 0.00 31.44 29.68 2k5q n GLU 99 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2k5q n HIS 100 N -3.38 -0.63 -3.64 -0.32 -0.00 -1.26 -5.10 115.22 100.90 2k5q n HIS 100 Ca -0.40 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.66 2k5q n HIS 100 Cb 0.89 0.13 -0.07 0.00 -0.12 0.00 0.00 29.99 30.81 2k5q n HIS 100 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k5q s HIS 101 N -0.40 -0.87 -1.01 1.57 3.76 -1.26 -5.10 115.29 111.99 2k5q s HIS 101 Ca 0.00 1.95 -0.23 0.00 -0.15 0.00 0.00 55.06 56.62 2k5q s HIS 101 Cb 0.00 0.39 -0.04 0.00 1.11 0.00 0.00 32.58 34.05 2k5q s HIS 101 CO 0.00 -0.42 1.86 -1.01 -0.85 0.00 0.00 174.74 174.31 2k5q s HIS 102 N 0.84 2.01 -0.25 1.40 0.09 -1.26 -4.84 115.29 113.28 2k5q s HIS 102 Ca -0.04 0.24 -0.02 0.00 -0.00 0.00 0.00 55.06 55.24 2k5q s HIS 102 Cb -0.05 -4.17 0.14 0.00 -0.00 0.00 0.00 32.58 28.49 2k5q s HIS 102 CO -0.07 -1.65 0.37 -1.01 -0.00 0.00 0.00 174.74 172.39 2k5q s HIS 103 N 9.21 -0.82 0.35 1.40 3.76 -1.26 -5.12 115.29 122.80 2k5q s HIS 103 Ca 0.65 0.71 0.00 0.00 -0.15 0.00 0.00 55.06 56.27 2k5q s HIS 103 Cb -0.04 -0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.62 2k5q s HIS 103 CO 0.02 -0.76 0.00 1.58 -0.85 0.00 0.00 174.74 174.73 2k5q n HIS 104 N 5.36 -2.86 1.51 1.40 -0.00 -1.26 -5.22 115.22 114.15 2k5q n HIS 104 Ca -0.03 1.53 0.14 0.00 -0.00 0.00 0.00 57.72 59.36 2k5q n HIS 104 Cb 0.50 -2.63 0.53 0.00 -0.00 0.00 0.00 29.99 28.39 2k5q n HIS 104 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06