#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcz n GLY 2 N 0.00 0.13 2.72 3.03 0.00 -1.26 -5.07 105.19 104.74 2kcz n GLY 2 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 2kcz n GLY 2 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kcz n GLU 3 N 0.00 -3.61 -2.69 1.61 4.71 -1.26 -4.91 120.64 114.48 2kcz n GLU 3 Ca 0.00 2.86 -0.43 0.00 -0.01 0.00 0.00 57.16 59.58 2kcz n GLU 3 Cb 0.00 -5.01 -0.02 0.00 -1.01 0.00 0.00 31.44 25.39 2kcz n GLU 3 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2kcz s THR 4 N -1.32 4.76 -0.30 2.62 2.01 -1.26 -4.92 115.64 117.23 2kcz s THR 4 Ca -0.08 2.01 -0.06 0.00 0.31 0.00 0.00 61.69 63.88 2kcz s THR 4 Cb 0.01 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.23 2kcz s THR 4 CO 0.74 -0.05 0.06 0.54 -0.69 0.00 0.00 174.62 175.22 2kcz s VAL 5 N 2.36 3.75 -0.32 3.82 0.11 -1.26 -1.47 120.40 127.40 2kcz s VAL 5 Ca 0.46 -0.84 -0.14 0.00 -2.93 0.00 0.00 61.98 58.53 2kcz s VAL 5 Cb -0.17 -2.97 -0.02 0.00 -1.53 0.00 0.00 36.38 31.68 2kcz s VAL 5 CO 0.14 0.04 0.31 -0.69 -3.33 0.00 0.00 175.10 171.58 2kcz s VAL 6 N 1.45 5.21 -0.22 2.04 1.01 -0.89 -4.95 120.40 124.05 2kcz s VAL 6 Ca 0.01 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2kcz s VAL 6 Cb -0.18 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2kcz s VAL 6 CO 0.01 0.01 0.46 0.00 0.00 0.00 0.00 175.10 175.58 2kcz s ARG 7 N 1.93 4.14 0.04 2.72 1.70 -1.26 -3.99 118.95 124.24 2kcz s ARG 7 Ca 0.10 0.28 -0.03 0.00 -0.47 0.00 0.00 55.73 55.61 2kcz s ARG 7 Cb -0.17 -3.58 -0.02 0.00 -0.57 0.00 0.00 34.95 30.62 2kcz s ARG 7 CO 0.11 -0.16 0.04 0.34 -1.08 0.00 0.00 175.30 174.55 2kcz s ASP 8 N 1.23 0.29 -0.03 -2.89 2.15 -1.25 -5.00 116.67 111.16 2kcz s ASP 8 Ca 0.21 -0.69 -0.00 0.00 0.43 0.00 0.00 52.55 52.49 2kcz s ASP 8 Cb -0.15 0.20 0.03 0.00 -0.30 0.00 0.00 42.92 42.70 2kcz s ASP 8 CO 0.09 -0.52 0.01 0.00 -0.17 0.00 0.00 175.17 174.58 2kcz s ALA 9 N -2.94 0.27 -0.11 3.66 0.00 -1.26 -3.74 121.76 117.64 2kcz s ALA 9 Ca -0.02 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 2kcz s ALA 9 Cb 0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2kcz s ALA 9 CO -0.06 -0.14 -0.06 0.14 0.00 0.00 0.00 175.76 175.64 2kcz s VAL 10 N 1.19 3.74 -0.34 0.00 -7.23 -1.24 -4.97 120.40 111.55 2kcz s VAL 10 Ca -0.08 -0.44 -0.08 0.00 -1.81 0.00 0.00 61.98 59.58 2kcz s VAL 10 Cb -0.13 -2.58 0.03 0.00 0.56 0.00 0.00 36.38 34.26 2kcz s VAL 10 CO -0.02 0.55 0.12 -0.89 -0.31 0.00 0.00 175.10 174.55 2kcz s THR 11 N -0.22 4.01 0.10 5.32 2.01 -1.26 -2.63 115.64 122.97 2kcz s THR 11 Ca 0.03 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.10 2kcz s THR 11 Cb -0.13 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2kcz s THR 11 CO 0.03 -0.14 0.02 -0.63 -0.69 0.00 0.00 174.62 173.21 2kcz s ILE 12 N 1.46 4.10 0.00 1.82 -1.09 -1.11 -4.81 121.20 121.57 2kcz s ILE 12 Ca 0.00 -1.01 -0.02 0.00 -2.23 0.00 0.00 60.65 57.39 2kcz s ILE 12 Cb -0.19 -2.98 -0.11 0.00 -1.58 0.00 0.00 42.46 37.60 2kcz s ILE 12 CO 0.04 0.08 2.47 0.61 -1.23 0.00 0.00 174.94 176.90 2kcz n GLY 13 N 0.40 2.51 3.37 6.18 0.00 -1.26 -1.87 105.19 114.52 2kcz n GLY 13 Ca -0.10 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 2kcz n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcz s LYS 14 N 0.67 1.79 0.13 1.61 -0.14 -1.26 -5.02 119.74 117.53 2kcz s LYS 14 Ca 0.27 -1.13 -0.30 0.00 -1.36 0.00 0.00 55.97 53.46 2kcz s LYS 14 Cb 0.13 -2.01 -0.06 0.00 -1.68 0.00 0.00 37.83 34.21 2kcz s LYS 14 CO 0.00 0.51 1.57 -1.35 -0.76 0.00 0.00 175.35 175.32 2kcz h PRO 15 N 4.59 -0.45 0.00 -1.68 0.11 -1.98 -3.38 132.00 129.22 2kcz h PRO 15 Ca -0.47 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2kcz h PRO 15 Cb 1.15 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2kcz h PRO 15 CO 0.44 -0.30 0.00 0.00 -0.21 0.00 0.00 178.00 177.93 2kcz n ALA 16 N -3.00 0.00 -0.15 -0.75 0.00 -1.26 -4.75 120.51 110.59 2kcz n ALA 16 Ca -0.04 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.61 2kcz n ALA 16 Cb 0.36 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.42 2kcz n ALA 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kcz h GLU 17 N 0.00 0.21 -0.00 0.00 4.81 -1.65 0.14 114.58 118.09 2kcz h GLU 17 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kcz h GLU 17 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2kcz h GLU 17 CO 0.00 0.14 -0.23 1.04 -0.73 0.00 0.00 179.01 179.22 2kcz n GLN 18 N -4.41 0.20 0.04 1.92 3.00 -1.26 -3.62 117.38 113.25 2kcz n GLN 18 Ca 0.16 -0.08 -0.20 0.00 -0.01 0.00 0.00 57.00 56.87 2kcz n GLN 18 Cb 0.70 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 29.30 2kcz n GLN 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2kcz h LEU 19 N 0.19 0.49 -0.84 1.08 3.38 -1.07 -3.25 115.31 115.29 2kcz h LEU 19 Ca 0.00 -0.92 -0.12 0.00 0.09 0.00 0.00 57.88 56.92 2kcz h LEU 19 Cb 0.47 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2kcz h LEU 19 CO 0.00 1.37 -0.57 0.22 0.09 0.00 0.00 178.44 179.55 2kcz h TYR 20 N -0.32 0.03 0.00 1.13 3.20 -1.68 -3.05 116.97 116.28 2kcz h TYR 20 Ca -0.13 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.72 2kcz h TYR 20 Cb 1.60 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.86 2kcz h TYR 20 CO 0.19 0.59 0.00 0.00 -1.64 0.00 0.00 178.16 177.30 2kcz n ALA 21 N -2.44 1.68 0.31 1.82 0.00 -1.23 -2.32 120.51 118.34 2kcz n ALA 21 Ca -0.01 -0.05 0.19 0.00 0.00 0.00 0.00 53.44 53.57 2kcz n ALA 21 Cb 0.58 -1.15 1.03 0.00 0.00 0.00 0.00 19.45 19.91 2kcz n ALA 21 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2kcz h VAL 22 N 0.00 0.23 0.00 0.00 3.04 -1.60 -0.24 116.25 117.68 2kcz h VAL 22 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 2kcz h VAL 22 Cb 0.06 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 2kcz h VAL 22 CO 0.00 0.01 0.00 0.79 -1.01 0.00 0.00 177.57 177.36 2kcz n TRP 23 N -3.38 0.14 0.00 3.17 7.02 -0.98 -4.47 117.44 118.94 2kcz n TRP 23 Ca -0.03 0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 2kcz n TRP 23 Cb 0.11 -0.60 0.00 0.00 -2.42 0.00 0.00 31.31 28.40 2kcz n TRP 23 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2kcz n ARG 24 N -1.63 0.00 -1.34 -0.99 5.12 -0.58 -5.06 116.66 112.18 2kcz n ARG 24 Ca 0.02 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.91 2kcz n ARG 24 Cb 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.42 2kcz n ARG 24 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2kcz n ASP 25 N -0.55 -0.77 -3.60 0.55 2.03 -0.83 -5.05 116.55 108.33 2kcz n ASP 25 Ca 0.00 -1.49 -0.22 0.00 0.52 0.00 0.00 54.79 53.60 2kcz n ASP 25 Cb 0.00 0.29 0.01 0.00 -0.72 0.00 0.00 41.12 40.69 2kcz n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kcz n LEU 26 N -0.36 -2.98 0.00 -2.67 -0.00 -0.20 -5.00 117.00 105.79 2kcz n LEU 26 Ca -0.16 -0.65 -0.01 0.00 -0.00 0.00 0.00 56.01 55.18 2kcz n LEU 26 Cb 0.62 -1.96 0.01 0.00 -0.00 0.00 0.00 43.42 42.09 2kcz n LEU 26 CO -0.10 -0.01 0.04 -0.81 -0.00 0.00 0.00 177.39 176.51 2kcz n PRO 27 N -2.04 0.29 -3.92 1.47 -0.04 -1.26 -5.06 135.00 124.43 2kcz n PRO 27 Ca -0.22 -0.14 -0.09 0.00 -0.04 0.00 0.00 63.50 63.01 2kcz n PRO 27 Cb 0.66 -0.06 -0.07 0.00 -0.04 0.00 0.00 33.50 33.99 2kcz n PRO 27 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kcz s GLY 28 N -2.82 0.31 0.62 0.55 0.00 -1.26 -5.01 107.32 99.71 2kcz s GLY 28 Ca 0.04 -0.79 -0.15 0.00 0.00 0.00 0.00 44.72 43.83 2kcz s GLY 28 CO 0.03 -0.86 1.07 0.48 0.00 0.00 0.00 173.10 173.82 2kcz s LEU 29 N -2.92 3.42 0.00 0.66 2.34 -1.26 -4.91 118.68 116.01 2kcz s LEU 29 Ca 0.11 1.83 0.03 0.00 0.06 0.00 0.00 54.13 56.16 2kcz s LEU 29 Cb 0.04 -4.53 0.16 0.00 -0.56 0.00 0.00 46.19 41.30 2kcz s LEU 29 CO -0.06 -1.32 0.58 -2.65 -1.06 0.00 0.00 176.35 171.84 2kcz n PRO 30 N -2.28 0.42 -2.97 1.48 -0.02 -1.26 -4.81 135.00 125.56 2kcz n PRO 30 Ca 0.09 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.45 2kcz n PRO 30 Cb 0.53 -1.10 0.06 0.00 -0.02 0.00 0.00 33.50 32.97 2kcz n PRO 30 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kcz n LEU 31 N -0.60 -3.31 -0.44 2.45 4.32 -1.26 -4.93 117.00 113.23 2kcz n LEU 31 Ca 0.02 -0.41 0.14 0.00 -0.02 0.00 0.00 56.01 55.74 2kcz n LEU 31 Cb 0.01 -2.23 0.51 0.00 -1.62 0.00 0.00 43.42 40.09 2kcz n LEU 31 CO 0.01 0.27 0.85 0.00 -1.22 0.00 0.00 177.39 177.30 2kcz n LEU 32 N -3.11 1.41 0.00 2.23 -0.00 -1.26 -4.93 117.00 111.35 2kcz n LEU 32 Ca -0.17 -0.46 0.00 0.00 -0.00 0.00 0.00 56.01 55.38 2kcz n LEU 32 Cb 0.61 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 2kcz n LEU 32 CO 0.41 0.24 0.00 0.23 -0.00 0.00 0.00 177.39 178.26 2kcz n MET 33 N 0.05 -0.33 0.00 1.47 2.81 -1.26 -4.83 117.12 115.03 2kcz n MET 33 Ca 0.18 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 2kcz n MET 33 Cb 0.35 -4.10 0.00 0.00 -0.71 0.00 0.00 33.22 28.76 2kcz n MET 33 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2kcz n THR 34 N -2.06 0.00 0.05 2.03 -1.04 -1.26 -5.05 114.28 106.95 2kcz n THR 34 Ca 0.00 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2kcz n THR 34 Cb 0.08 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 2kcz n THR 34 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2kcz n HIS 35 N -1.08 -2.87 -3.38 -1.42 -0.00 -1.26 -5.12 115.22 100.09 2kcz n HIS 35 Ca 0.00 0.36 0.02 0.00 -0.00 0.00 0.00 57.72 58.09 2kcz n HIS 35 Cb 0.00 1.25 -0.04 0.00 -0.00 0.00 0.00 29.99 31.20 2kcz n HIS 35 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 2kcz s LEU 36 N -5.33 -0.53 0.00 0.27 0.05 -1.26 -4.81 118.68 107.06 2kcz s LEU 36 Ca 0.00 0.73 -0.24 0.00 0.05 0.00 0.00 54.13 54.67 2kcz s LEU 36 Cb 0.00 1.61 0.08 0.00 -2.05 0.00 0.00 46.19 45.83 2kcz s LEU 36 CO 0.00 -0.10 1.08 -1.14 -0.55 0.00 0.00 176.35 175.64 2kcz n ARG 37 N 4.93 0.08 -0.96 1.48 0.63 -1.26 -4.83 116.66 116.73 2kcz n ARG 37 Ca -0.09 -0.52 0.00 0.00 -0.92 0.00 0.00 57.85 56.32 2kcz n ARG 37 Cb 0.53 0.93 0.00 0.00 0.45 0.00 0.00 32.46 34.37 2kcz n ARG 37 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2kcz n SER 38 N -0.86 -2.61 0.00 6.15 7.64 -1.26 -4.53 113.62 118.15 2kcz n SER 38 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2kcz n SER 38 Cb 0.47 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 2kcz n SER 38 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2kcz n VAL 39 N -2.54 0.00 -3.75 0.44 0.24 -1.26 -5.02 118.33 106.44 2kcz n VAL 39 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 2kcz n VAL 39 Cb 0.08 -0.82 0.03 0.00 -1.47 0.00 0.00 33.84 31.66 2kcz n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2kcz n GLU 40 N -2.42 -2.37 0.12 7.34 1.02 -1.26 -4.26 120.64 118.81 2kcz n GLU 40 Ca 0.00 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 2kcz n GLU 40 Cb 0.00 -4.43 0.03 0.00 -0.02 0.00 0.00 31.44 27.02 2kcz n GLU 40 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2kcz h VAL 41 N -1.86 1.13 0.00 2.62 3.04 -1.93 -2.55 116.25 116.70 2kcz h VAL 41 Ca -0.65 -2.46 0.00 0.00 -1.01 0.00 0.00 66.70 62.58 2kcz h VAL 41 Cb 1.36 2.47 0.00 0.00 -2.01 0.00 0.00 31.29 33.11 2kcz h VAL 41 CO 0.53 0.62 0.00 -0.11 -1.01 0.00 0.00 177.57 177.60 2kcz n LEU 42 N -3.32 0.00 0.00 3.16 -0.00 -0.11 -4.69 117.00 112.04 2kcz n LEU 42 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 2kcz n LEU 42 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.18 2kcz n LEU 42 CO 0.42 0.00 -0.38 -0.67 -0.00 0.00 0.00 177.39 176.76 2kcz n ASP 43 N 0.00 3.51 -0.11 1.96 2.03 -1.24 -2.14 116.55 120.56 2kcz n ASP 43 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 2kcz n ASP 43 Cb 0.00 0.25 -0.05 0.00 -0.72 0.00 0.00 41.12 40.60 2kcz n ASP 43 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kcz h ASP 44 N 0.00 -0.95 0.00 1.67 3.58 -1.95 -3.36 116.42 115.41 2kcz h ASP 44 Ca 0.00 0.13 -0.12 0.00 0.42 0.00 0.00 57.03 57.46 2kcz h ASP 44 Cb 0.75 0.40 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 2kcz h ASP 44 CO 0.00 -0.17 -1.45 1.17 -2.88 0.00 0.00 179.24 175.91 2kcz n LYS 45 N -4.03 0.28 -3.25 0.28 3.00 -1.26 -4.95 118.16 108.22 2kcz n LYS 45 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2kcz n LYS 45 Cb 0.16 -1.16 0.00 0.00 0.00 0.00 0.00 35.03 34.03 2kcz n LYS 45 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2kcz n ARG 46 N -2.71 -2.11 -3.59 1.64 1.85 -1.26 -2.80 116.66 107.69 2kcz n ARG 46 Ca -0.14 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.31 2kcz n ARG 46 Cb 0.65 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.99 2kcz n ARG 46 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2kcz s SER 47 N -2.30 5.74 0.07 2.89 1.04 -0.55 -0.93 113.70 119.66 2kcz s SER 47 Ca 0.00 -2.83 0.00 0.00 0.48 0.00 0.00 55.95 53.60 2kcz s SER 47 Cb 0.00 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.15 2kcz s SER 47 CO 0.00 -0.43 0.00 0.54 0.98 0.00 0.00 173.24 174.33 2kcz n ARG 48 N 3.60 0.00 0.00 4.02 5.12 -0.97 -4.25 116.66 124.18 2kcz n ARG 48 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2kcz n ARG 48 Cb 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.71 2kcz n ARG 48 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57 2kcz n TRP 49 N -2.69 0.00 -3.33 -1.55 -0.00 -1.14 -4.92 117.44 103.81 2kcz n TRP 49 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.50 57.12 2kcz n TRP 49 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.25 2kcz n TRP 49 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2kcz s THR 50 N 0.00 5.19 -0.16 5.87 -4.23 -1.26 -4.84 115.64 116.20 2kcz s THR 50 Ca 0.00 0.94 -0.20 0.00 -1.18 0.00 0.00 61.69 61.25 2kcz s THR 50 Cb 0.00 -3.81 -0.23 0.00 1.34 0.00 0.00 72.50 69.80 2kcz s THR 50 CO 0.00 0.34 0.41 0.58 -0.54 0.00 0.00 174.62 175.40 2kcz h VAL 51 N 4.69 1.05 -3.60 2.29 2.07 -2.01 -3.42 116.25 117.32 2kcz h VAL 51 Ca -0.41 -2.28 -0.72 0.00 0.82 0.00 0.00 66.70 64.11 2kcz h VAL 51 Cb 1.18 2.56 -0.33 0.00 -1.52 0.00 0.00 31.29 33.17 2kcz h VAL 51 CO 0.75 0.52 -0.24 -1.61 0.02 0.00 0.00 177.57 177.01 2kcz s GLU 52 N -2.39 2.85 0.02 1.57 2.02 -1.26 -5.03 118.70 116.48 2kcz s GLU 52 Ca -0.24 -2.59 0.03 0.00 0.02 0.00 0.00 54.97 52.19 2kcz s GLU 52 Cb 0.04 -3.90 -0.01 0.00 0.10 0.00 0.00 34.13 30.36 2kcz s GLU 52 CO 0.67 -1.21 -0.10 0.00 0.02 0.00 0.00 175.26 174.65 2kcz s ALA 53 N -0.14 0.79 0.30 5.21 0.00 -1.26 -5.14 121.76 121.52 2kcz s ALA 53 Ca 0.18 -0.58 -0.27 0.00 0.00 0.00 0.00 51.96 51.29 2kcz s ALA 53 Cb -0.17 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.73 2kcz s ALA 53 CO -0.05 0.14 0.98 -2.14 0.00 0.00 0.00 175.76 174.68 2kcz s PRO 54 N -0.79 4.61 0.26 0.00 0.02 -1.26 -4.84 135.00 133.00 2kcz s PRO 54 Ca -0.00 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.48 2kcz s PRO 54 Cb -0.06 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.51 2kcz s PRO 54 CO 0.00 0.28 0.00 0.00 -0.33 0.00 0.00 177.00 176.95 2kcz n ALA 55 N 0.82 -1.50 -0.05 -1.55 0.00 -1.26 -4.69 120.51 112.28 2kcz n ALA 55 Ca 0.01 0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.56 2kcz n ALA 55 Cb 0.48 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 2kcz n ALA 55 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2kcz h PRO 56 N 0.51 0.28 0.00 0.00 0.13 -2.00 -3.39 132.00 127.53 2kcz h PRO 56 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2kcz h PRO 56 Cb 0.17 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2kcz h PRO 56 CO 0.00 0.36 0.00 1.47 -0.23 0.00 0.00 178.00 179.60 2kcz n LEU 57 N -4.83 0.00 0.00 1.56 -0.00 -1.26 -5.05 117.00 107.42 2kcz n LEU 57 Ca -0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 2kcz n LEU 57 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 2kcz n LEU 57 CO 0.35 0.09 0.00 0.61 -0.00 0.00 0.00 177.39 178.44 2kcz n GLY 58 N 0.00 2.02 1.27 1.47 0.00 -1.26 -4.38 105.19 104.31 2kcz n GLY 58 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2kcz n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcz n ALA 59 N 0.00 1.53 -3.59 4.61 0.00 -1.26 -5.02 120.51 116.78 2kcz n ALA 59 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2kcz n ALA 59 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2kcz n ALA 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kcz s VAL 60 N -0.63 -0.25 0.09 0.00 0.11 -1.26 -4.20 120.40 114.25 2kcz s VAL 60 Ca 0.00 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2kcz s VAL 60 Cb 0.00 -0.50 -0.00 0.00 -1.53 0.00 0.00 36.38 34.35 2kcz s VAL 60 CO 0.00 -0.08 0.04 -1.20 -3.33 0.00 0.00 175.10 170.52 2kcz n SER 61 N 5.31 0.82 -0.97 3.54 7.64 -1.26 -5.05 113.62 123.65 2kcz n SER 61 Ca -0.05 -1.48 0.12 0.00 1.01 0.00 0.00 58.87 58.47 2kcz n SER 61 Cb 0.50 0.25 0.24 0.00 -1.01 0.00 0.00 64.21 64.19 2kcz n SER 61 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2kcz n TRP 62 N -0.19 0.35 -2.38 1.43 7.02 -1.26 -4.86 117.44 117.54 2kcz n TRP 62 Ca -0.01 -0.17 -0.27 0.00 -1.02 0.00 0.00 57.50 56.03 2kcz n TRP 62 Cb 0.13 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.06 2kcz n TRP 62 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 2kcz s GLU 63 N -1.65 2.89 -0.04 -0.99 -1.05 -1.26 -5.09 118.70 111.51 2kcz s GLU 63 Ca 0.36 -0.01 -0.09 0.00 -0.15 0.00 0.00 54.97 55.08 2kcz s GLU 63 Cb 0.21 -2.26 0.01 0.00 -0.44 0.00 0.00 34.13 31.65 2kcz s GLU 63 CO 0.30 -0.73 0.21 0.00 0.95 0.00 0.00 175.26 175.99 2kcz s ALA 64 N -3.01 -0.51 0.17 -0.84 0.00 -1.26 -4.71 121.76 111.61 2kcz s ALA 64 Ca 0.54 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.83 2kcz s ALA 64 Cb -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2kcz s ALA 64 CO 0.45 -0.18 0.07 -1.83 0.00 0.00 0.00 175.76 174.28 2kcz s GLU 65 N -0.76 2.65 -0.17 0.00 -1.05 -1.26 -1.49 118.70 116.63 2kcz s GLU 65 Ca -0.08 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.74 2kcz s GLU 65 Cb -0.05 -2.50 0.01 0.00 -0.44 0.00 0.00 34.13 31.15 2kcz s GLU 65 CO 0.02 0.47 -0.17 -1.17 0.95 0.00 0.00 175.26 175.36 2kcz s LEU 66 N -3.05 2.36 0.28 1.83 2.96 -1.12 -3.14 118.68 118.79 2kcz s LEU 66 Ca 0.29 -0.54 0.19 0.00 -0.22 0.00 0.00 54.13 53.86 2kcz s LEU 66 Cb -0.10 -1.54 0.11 0.00 0.50 0.00 0.00 46.19 45.17 2kcz s LEU 66 CO 0.21 0.04 1.32 0.00 -1.32 0.00 0.00 176.35 176.61 2kcz h THR 67 N 5.78 0.36 -3.60 3.68 1.03 -1.83 -3.45 112.91 114.89 2kcz h THR 67 Ca -0.38 -1.55 -0.43 0.00 -0.01 0.00 0.00 66.41 64.04 2kcz h THR 67 Cb 1.17 2.05 -0.32 0.00 -1.07 0.00 0.00 68.15 69.97 2kcz h THR 67 CO 0.59 0.20 -0.78 0.00 -0.01 0.00 0.00 175.52 175.52 2kcz s ALA 68 N -3.11 0.84 -0.27 0.00 0.00 -1.20 -4.91 121.76 113.11 2kcz s ALA 68 Ca 0.03 -0.22 0.22 0.00 0.00 0.00 0.00 51.96 51.99 2kcz s ALA 68 Cb 0.07 -0.40 0.50 0.00 0.00 0.00 0.00 23.12 23.30 2kcz s ALA 68 CO 0.74 0.07 1.10 -0.40 0.00 0.00 0.00 175.76 177.27 2kcz n ASP 69 N 3.68 1.66 -4.78 0.00 5.75 -1.26 -4.25 116.55 117.35 2kcz n ASP 69 Ca -0.22 -2.13 -0.38 0.00 -0.01 0.00 0.00 54.79 52.06 2kcz n ASP 69 Cb 0.52 -0.48 -0.06 0.00 -1.03 0.00 0.00 41.12 40.07 2kcz n ASP 69 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kcz s GLU 70 N -3.75 4.62 0.03 0.11 0.41 -1.25 -4.99 118.70 113.88 2kcz s GLU 70 Ca 0.28 1.33 -0.27 0.00 -0.41 0.00 0.00 54.97 55.90 2kcz s GLU 70 Cb 0.33 -2.91 -0.17 0.00 -1.78 0.00 0.00 34.13 29.61 2kcz s GLU 70 CO -0.03 0.34 1.33 -1.35 -0.49 0.00 0.00 175.26 175.05 2kcz h PRO 71 N 3.40 -0.57 -2.07 0.39 0.11 -1.95 -3.39 132.00 127.92 2kcz h PRO 71 Ca -0.46 0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.15 2kcz h PRO 71 Cb 1.19 0.13 -0.40 0.00 0.11 0.00 0.00 31.00 32.03 2kcz h PRO 71 CO 0.66 -0.27 -1.00 0.41 -0.21 0.00 0.00 178.00 177.58 2kcz n GLY 72 N -0.67 3.89 0.23 -0.55 0.00 -1.26 -1.63 105.19 105.20 2kcz n GLY 72 Ca -0.11 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2kcz n GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kcz n LYS 73 N 0.59 0.00 -3.59 1.61 4.81 -1.26 -4.88 118.16 115.44 2kcz n LYS 73 Ca 0.25 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.59 2kcz n LYS 73 Cb 0.54 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.54 2kcz n LYS 73 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2kcz s ARG 74 N -0.12 0.60 -0.19 1.64 1.70 -1.26 -1.87 118.95 119.46 2kcz s ARG 74 Ca 0.00 0.27 0.01 0.00 -0.47 0.00 0.00 55.73 55.54 2kcz s ARG 74 Cb 0.00 0.29 0.03 0.00 -0.57 0.00 0.00 34.95 34.70 2kcz s ARG 74 CO 0.00 -0.16 -0.14 0.42 -1.08 0.00 0.00 175.30 174.34 2kcz s ILE 75 N -0.78 1.79 0.06 4.99 1.09 0.94 -3.87 121.20 125.42 2kcz s ILE 75 Ca -0.01 -0.98 0.01 0.00 -1.10 0.00 0.00 60.65 58.58 2kcz s ILE 75 Cb -0.02 -1.76 -0.04 0.00 -1.06 0.00 0.00 42.46 39.58 2kcz s ILE 75 CO 0.00 0.31 0.12 0.00 -0.10 0.00 0.00 174.94 175.26 2kcz s ALA 76 N 1.36 3.69 0.22 9.38 0.00 -1.26 0.08 121.76 135.23 2kcz s ALA 76 Ca 0.01 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 2kcz s ALA 76 Cb -0.15 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 2kcz s ALA 76 CO -0.10 0.76 0.47 1.67 0.00 0.00 0.00 175.76 178.56 2kcz s TRP 77 N -1.38 3.47 0.27 0.00 1.48 -1.26 -3.19 118.94 118.32 2kcz s TRP 77 Ca 0.30 0.58 -0.02 0.00 -1.06 0.00 0.00 56.10 55.90 2kcz s TRP 77 Cb -0.12 -2.04 -0.02 0.00 -1.16 0.00 0.00 33.47 30.12 2kcz s TRP 77 CO 0.22 0.31 0.31 1.03 -4.06 0.00 0.00 176.95 174.75 2kcz s ARG 78 N -3.13 1.53 0.00 3.25 1.81 -1.19 -4.71 118.95 116.51 2kcz s ARG 78 Ca 0.42 -1.65 0.04 0.00 -1.72 0.00 0.00 55.73 52.82 2kcz s ARG 78 Cb -0.11 0.36 0.06 0.00 -0.45 0.00 0.00 34.95 34.81 2kcz s ARG 78 CO 0.27 -0.58 0.84 0.43 -0.68 0.00 0.00 175.30 175.58 2kcz n SER 79 N -0.78 -0.00 -1.06 0.23 7.64 -1.25 -4.28 113.62 114.13 2kcz n SER 79 Ca 0.02 -1.63 0.11 0.00 1.01 0.00 0.00 58.87 58.37 2kcz n SER 79 Cb 0.63 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 2kcz n SER 79 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kcz n LEU 80 N 0.07 -0.83 0.00 -3.43 4.77 -1.26 -3.33 117.00 112.99 2kcz n LEU 80 Ca -0.03 1.81 0.03 0.00 -0.03 0.00 0.00 56.01 57.79 2kcz n LEU 80 Cb 0.69 -2.17 0.17 0.00 -2.33 0.00 0.00 43.42 39.78 2kcz n LEU 80 CO -0.02 -1.39 0.37 -2.65 -1.33 0.00 0.00 177.39 172.37 2kcz n PRO 81 N -3.47 0.39 -0.02 3.23 -0.02 -1.26 -2.70 135.00 131.15 2kcz n PRO 81 Ca -0.06 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.50 2kcz n PRO 81 Cb 0.47 -1.23 -0.14 0.00 -0.02 0.00 0.00 33.50 32.58 2kcz n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kcz n GLY 82 N -0.17 -0.84 3.49 -1.23 0.00 -1.26 -5.00 105.19 100.17 2kcz n GLY 82 Ca 0.04 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 2kcz n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcz s ALA 83 N -3.20 -0.18 0.00 4.61 0.00 -1.10 -4.85 121.76 117.05 2kcz s ALA 83 Ca -0.07 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2kcz s ALA 83 Cb 0.11 1.00 -0.00 0.00 0.00 0.00 0.00 23.12 24.23 2kcz s ALA 83 CO 0.76 -0.78 -0.03 1.03 0.00 0.00 0.00 175.76 176.75 2kcz s ARG 84 N -3.99 0.21 0.35 0.00 3.00 -1.26 -4.29 118.95 112.97 2kcz s ARG 84 Ca 0.20 -0.16 0.27 0.00 0.00 0.00 0.00 55.73 56.04 2kcz s ARG 84 Cb 0.01 -0.16 1.09 0.00 0.00 0.00 0.00 34.95 35.89 2kcz s ARG 84 CO 0.05 0.04 1.80 0.82 0.00 0.00 0.00 175.30 178.01 2kcz h ILE 85 N 5.03 0.00 0.00 1.52 2.04 -1.92 -3.46 117.51 120.71 2kcz h ILE 85 Ca -0.27 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2kcz h ILE 85 Cb 1.20 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 2kcz h ILE 85 CO 0.49 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.85 2kcz n GLU 86 N -2.53 0.00 -1.97 2.37 2.13 -1.26 -4.93 120.64 114.45 2kcz n GLU 86 Ca 0.02 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.42 2kcz n GLU 86 Cb 0.27 -0.17 -0.03 0.00 0.27 0.00 0.00 31.44 31.78 2kcz n GLU 86 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2kcz s ASN 87 N 0.00 6.62 -0.09 4.31 2.47 -1.26 -4.96 114.94 122.03 2kcz s ASN 87 Ca 0.00 2.65 0.02 0.00 0.42 0.00 0.00 52.86 55.95 2kcz s ASN 87 Cb 0.00 -2.61 0.01 0.00 -1.45 0.00 0.00 41.25 37.20 2kcz s ASN 87 CO 0.00 -0.76 -0.15 -0.55 -3.72 0.00 0.00 177.10 171.92 2kcz s SER 88 N 0.73 2.21 0.00 -4.21 0.15 -1.26 -4.95 113.70 106.37 2kcz s SER 88 Ca 0.64 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2kcz s SER 88 Cb -0.43 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 2kcz s SER 88 CO 0.38 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.47 2kcz n GLY 89 N 3.97 3.52 3.82 9.45 0.00 -1.25 -4.37 105.19 120.32 2kcz n GLY 89 Ca -0.20 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2kcz n GLY 89 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kcz s GLU 90 N -0.51 3.47 -0.17 1.61 1.03 -1.26 -4.47 118.70 118.40 2kcz s GLU 90 Ca 0.00 -0.19 -0.21 0.00 0.03 0.00 0.00 54.97 54.60 2kcz s GLU 90 Cb 0.00 -3.15 -0.03 0.00 -0.80 0.00 0.00 34.13 30.15 2kcz s GLU 90 CO 0.00 0.69 0.63 0.08 -1.33 0.00 0.00 175.26 175.33 2kcz s VAL 91 N -0.79 5.04 -0.15 1.83 1.01 0.11 -4.55 120.40 122.90 2kcz s VAL 91 Ca 0.13 1.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.27 2kcz s VAL 91 Cb -0.12 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2kcz s VAL 91 CO 0.03 0.15 -0.01 -0.76 0.00 0.00 0.00 175.10 174.51 2kcz s LEU 92 N 1.63 3.45 -0.42 3.92 1.02 -0.71 -0.04 118.68 127.53 2kcz s LEU 92 Ca 0.30 -0.02 -0.16 0.00 0.02 0.00 0.00 54.13 54.27 2kcz s LEU 92 Cb -0.16 -1.83 0.03 0.00 0.02 0.00 0.00 46.19 44.25 2kcz s LEU 92 CO 0.11 0.21 0.34 -0.36 0.02 0.00 0.00 176.35 176.68 2kcz s PHE 93 N 0.10 3.23 0.01 0.29 0.40 -0.78 -0.55 117.98 120.67 2kcz s PHE 93 Ca 0.01 -0.59 0.03 0.00 -0.60 0.00 0.00 56.93 55.78 2kcz s PHE 93 Cb -0.13 -2.72 -0.03 0.00 0.51 0.00 0.00 43.02 40.65 2kcz s PHE 93 CO 0.02 -0.64 -0.04 1.03 0.70 0.00 0.00 175.22 176.29 2kcz s ARG 94 N 1.77 2.64 -0.02 0.44 0.52 0.18 -4.57 118.95 119.90 2kcz s ARG 94 Ca 0.06 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.29 2kcz s ARG 94 Cb -0.19 -2.57 -0.05 0.00 0.52 0.00 0.00 34.95 32.66 2kcz s ARG 94 CO 0.10 0.61 1.43 -2.14 0.02 0.00 0.00 175.30 175.32 2kcz s PRO 95 N -1.51 4.26 0.28 3.54 0.02 -1.26 -0.94 135.00 139.39 2kcz s PRO 95 Ca 0.18 1.97 0.03 0.00 0.02 0.00 0.00 61.00 63.21 2kcz s PRO 95 Cb -0.11 -3.65 -0.03 0.00 0.02 0.00 0.00 34.50 30.73 2kcz s PRO 95 CO 0.09 -0.63 0.43 0.00 -0.33 0.00 0.00 177.00 176.56 2kcz s ALA 96 N 2.74 3.85 0.93 -1.55 0.00 -1.20 -4.84 121.76 121.69 2kcz s ALA 96 Ca 0.64 -1.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.37 2kcz s ALA 96 Cb -0.31 -1.86 0.09 0.00 0.00 0.00 0.00 23.12 21.04 2kcz s ALA 96 CO 0.26 0.15 0.77 -2.30 0.00 0.00 0.00 175.76 174.64 2kcz n PRO 97 N -1.54 -0.34 0.04 0.00 -0.02 -1.26 -4.64 135.00 127.24 2kcz n PRO 97 Ca -0.07 -0.04 0.22 0.00 -2.02 0.00 0.00 63.50 61.58 2kcz n PRO 97 Cb 0.57 -2.11 0.73 0.00 -0.02 0.00 0.00 33.50 32.66 2kcz n PRO 97 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2kcz h GLY 98 N -1.66 0.00 -1.85 -1.23 0.00 -1.99 0.12 103.07 96.46 2kcz h GLY 98 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2kcz h GLY 98 CO 0.38 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.92 2kcz n ALA 99 N -2.41 2.32 -0.11 3.60 0.00 -1.26 -4.28 120.51 118.37 2kcz n ALA 99 Ca 0.10 -1.09 -0.14 0.00 0.00 0.00 0.00 53.44 52.30 2kcz n ALA 99 Cb 0.70 -0.66 -0.13 0.00 0.00 0.00 0.00 19.45 19.36 2kcz n ALA 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kcz n ARG 100 N 1.05 0.74 0.00 0.00 3.00 0.39 -5.10 116.66 116.75 2kcz n ARG 100 Ca 0.16 0.08 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 2kcz n ARG 100 Cb 0.50 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.48 2kcz n ARG 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kcz n GLY 101 N 2.15 0.47 3.03 5.14 0.00 -1.05 -4.34 105.19 110.59 2kcz n GLY 101 Ca -0.38 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 2kcz n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kcz s THR 102 N 0.00 1.02 -0.51 2.61 2.01 -0.78 -3.22 115.64 116.76 2kcz s THR 102 Ca 0.00 -0.45 -0.23 0.00 0.31 0.00 0.00 61.69 61.32 2kcz s THR 102 Cb 0.00 -0.92 0.04 0.00 0.01 0.00 0.00 72.50 71.63 2kcz s THR 102 CO 0.00 0.32 0.84 -0.70 -0.69 0.00 0.00 174.62 174.39 2kcz s GLU 103 N 0.41 3.32 -0.62 4.92 2.12 -0.11 -2.76 118.70 125.97 2kcz s GLU 103 Ca -0.08 -0.32 -0.23 0.00 0.36 0.00 0.00 54.97 54.70 2kcz s GLU 103 Cb -0.12 -4.03 0.06 0.00 0.26 0.00 0.00 34.13 30.30 2kcz s GLU 103 CO 0.02 -1.33 0.93 0.54 -0.54 0.00 0.00 175.26 174.88 2kcz s VAL 104 N 3.53 4.39 -0.49 3.70 0.11 -1.08 -0.65 120.40 129.91 2kcz s VAL 104 Ca 0.28 -0.25 -0.24 0.00 -2.93 0.00 0.00 61.98 58.83 2kcz s VAL 104 Cb -0.13 -4.62 0.03 0.00 -1.53 0.00 0.00 36.38 30.12 2kcz s VAL 104 CO 0.19 -1.33 0.90 -0.69 -3.33 0.00 0.00 175.10 170.84 2kcz s VAL 105 N 3.90 4.48 -0.15 2.04 1.01 0.29 -3.60 120.40 128.37 2kcz s VAL 105 Ca 0.23 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.70 2kcz s VAL 105 Cb -0.16 -4.45 -0.02 0.00 0.00 0.00 0.00 36.38 31.75 2kcz s VAL 105 CO 0.12 -0.91 -0.08 0.68 0.00 0.00 0.00 175.10 174.91 2kcz s VAL 106 N 3.73 3.47 -0.34 2.92 -7.23 -1.25 -1.73 120.40 119.96 2kcz s VAL 106 Ca 0.33 -0.51 -0.08 0.00 -1.81 0.00 0.00 61.98 59.92 2kcz s VAL 106 Cb -0.11 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.36 2kcz s VAL 106 CO 0.23 0.50 0.13 -0.60 -0.31 0.00 0.00 175.10 175.06 2kcz s ARG 107 N 0.44 2.75 -0.15 4.82 3.52 -1.26 -3.94 118.95 125.13 2kcz s ARG 107 Ca -0.06 -1.11 0.01 0.00 -0.13 0.00 0.00 55.73 54.44 2kcz s ARG 107 Cb -0.15 -3.53 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 2kcz s ARG 107 CO 0.04 -0.65 -0.16 -0.48 -0.81 0.00 0.00 175.30 173.24 2kcz s LEU 108 N 1.46 1.81 -0.26 -0.88 2.34 -1.26 -3.94 118.68 117.96 2kcz s LEU 108 Ca 0.00 -0.52 -0.15 0.00 0.06 0.00 0.00 54.13 53.52 2kcz s LEU 108 Cb -0.19 -1.25 -0.04 0.00 -0.56 0.00 0.00 46.19 44.15 2kcz s LEU 108 CO 0.04 -0.02 0.37 -0.89 -1.06 0.00 0.00 176.35 174.78 2kcz s THR 109 N 1.33 5.18 0.22 5.48 2.01 -1.26 -2.10 115.64 126.49 2kcz s THR 109 Ca 0.03 0.56 -0.17 0.00 0.31 0.00 0.00 61.69 62.41 2kcz s THR 109 Cb -0.13 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.71 2kcz s THR 109 CO -0.09 0.17 0.55 -0.72 -0.69 0.00 0.00 174.62 173.84 2kcz s TYR 110 N 1.99 -0.06 0.04 4.92 1.13 -0.54 -4.57 117.35 120.26 2kcz s TYR 110 Ca 0.15 -0.30 0.08 0.00 -1.41 0.00 0.00 57.07 55.59 2kcz s TYR 110 Cb -0.16 0.42 -0.03 0.00 -1.10 0.00 0.00 41.96 41.09 2kcz s TYR 110 CO 0.10 -0.98 -0.23 -0.98 -2.51 0.00 0.00 175.55 170.95 2kcz s ARG 111 N -3.90 1.92 0.70 -3.49 1.70 -1.26 -4.23 118.95 110.38 2kcz s ARG 111 Ca 0.11 -1.06 -0.17 0.00 -0.47 0.00 0.00 55.73 54.15 2kcz s ARG 111 Cb -0.02 -2.07 0.02 0.00 -0.57 0.00 0.00 34.95 32.31 2kcz s ARG 111 CO 0.01 0.52 1.26 -1.25 -1.08 0.00 0.00 175.30 174.76 2kcz s PRO 112 N -1.33 2.27 0.00 3.89 0.04 -1.26 -4.92 135.00 133.68 2kcz s PRO 112 Ca 0.13 1.96 0.20 0.00 0.04 0.00 0.00 61.00 63.33 2kcz s PRO 112 Cb -0.10 -1.82 0.61 0.00 0.04 0.00 0.00 34.50 33.23 2kcz s PRO 112 CO 0.03 -1.79 1.48 -0.35 0.04 0.00 0.00 177.00 176.42 2kcz n PRO 113 N -2.35 1.96 0.00 0.56 -0.04 -1.26 -5.03 135.00 128.84 2kcz n PRO 113 Ca 0.15 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 2kcz n PRO 113 Cb 0.49 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2kcz n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kcz n GLY 114 N 1.23 0.27 0.00 0.55 0.00 -1.26 -4.70 105.19 101.28 2kcz n GLY 114 Ca 0.17 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2kcz n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kcz n GLY 115 N 0.00 0.72 0.07 -0.02 0.00 -1.26 -4.80 105.19 99.90 2kcz n GLY 115 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2kcz n GLY 115 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kcz h SER 116 N 0.00 0.11 -0.12 1.61 0.87 -2.00 -1.13 113.55 112.89 2kcz h SER 116 Ca 0.00 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 2kcz h SER 116 Cb 0.00 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2kcz h SER 116 CO 0.00 0.27 0.01 0.00 -0.53 0.00 0.00 176.83 176.58 2kcz h ALA 117 N 0.85 1.61 0.00 6.23 0.00 -1.89 -1.75 119.26 124.30 2kcz h ALA 117 Ca 0.03 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2kcz h ALA 117 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kcz h ALA 117 CO -0.00 0.29 -0.44 0.78 0.00 0.00 0.00 179.25 179.88 2kcz h GLY 118 N 0.59 0.00 1.88 0.00 0.00 -1.75 -2.30 103.07 101.50 2kcz h GLY 118 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.24 2kcz h GLY 118 CO 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 176.54 175.82 2kcz h ALA 119 N 1.56 0.76 0.00 3.60 0.00 -0.33 -2.09 119.26 122.77 2kcz h ALA 119 Ca -0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 2kcz h ALA 119 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2kcz h ALA 119 CO 0.06 0.85 -0.00 0.28 0.00 0.00 0.00 179.25 180.44 2kcz h VAL 120 N 0.07 1.37 0.00 0.00 2.07 -1.12 -3.13 116.25 115.51 2kcz h VAL 120 Ca -0.02 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 2kcz h VAL 120 Cb 1.27 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 2kcz h VAL 120 CO 0.10 0.28 -0.07 0.16 0.02 0.00 0.00 177.57 178.06 2kcz h ILE 121 N -0.46 0.21 -0.98 4.57 3.07 -1.47 -2.20 117.51 120.25 2kcz h ILE 121 Ca -0.00 -0.63 0.03 0.00 1.55 0.00 0.00 64.86 65.81 2kcz h ILE 121 Cb 0.46 1.52 -0.05 0.00 -0.27 0.00 0.00 36.82 38.47 2kcz h ILE 121 CO 0.00 0.07 0.65 0.00 -1.05 0.00 0.00 178.15 177.82 2kcz h ALA 122 N 1.93 1.34 0.00 0.16 0.00 -1.31 0.24 119.26 121.61 2kcz h ALA 122 Ca -0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2kcz h ALA 122 Cb 0.51 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2kcz h ALA 122 CO 0.01 0.59 -1.20 -0.09 0.00 0.00 0.00 179.25 178.55 2kcz h ARG 123 N 1.28 0.00 -0.06 0.00 2.43 -1.55 -3.33 114.38 113.14 2kcz h ARG 123 Ca 0.38 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.41 2kcz h ARG 123 Cb -0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2kcz h ARG 123 CO -0.10 0.15 -0.60 1.98 -1.51 0.00 0.00 179.97 179.89 2kcz h MET 124 N 0.00 0.20 -6.32 0.20 4.05 -0.85 -3.44 114.93 108.78 2kcz h MET 124 Ca -0.08 -0.14 -0.54 0.00 -0.28 0.00 0.00 59.70 58.66 2kcz h MET 124 Cb 1.31 0.02 0.01 0.00 -0.80 0.00 0.00 31.60 32.13 2kcz h MET 124 CO 0.02 0.74 1.16 0.12 0.23 0.00 0.00 176.91 179.18 2kcz s PHE 125 N -3.76 1.65 0.00 1.39 5.36 0.78 -4.95 117.98 118.46 2kcz s PHE 125 Ca -0.04 -0.13 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 2kcz s PHE 125 Cb 0.12 -4.08 0.00 0.00 -0.34 0.00 0.00 43.02 38.72 2kcz s PHE 125 CO 0.79 -4.72 0.34 0.09 -1.46 0.00 0.00 175.22 170.26 2kcz n ASN 126 N 7.25 0.00 0.00 6.13 3.02 -1.26 -4.97 115.26 125.43 2kcz n ASN 126 Ca 0.18 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 2kcz n ASN 126 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 2kcz n ASN 126 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kcz n GLN 127 N -0.37 0.00 -2.71 3.52 6.02 -1.26 -5.10 117.38 117.48 2kcz n GLN 127 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kcz n GLN 127 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 2kcz n GLN 127 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2kcz s GLU 128 N -0.49 0.15 -0.52 -1.09 2.12 -1.26 -5.12 118.70 112.49 2kcz s GLU 128 Ca 0.00 -0.10 -0.28 0.00 0.36 0.00 0.00 54.97 54.96 2kcz s GLU 128 Cb 0.00 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.40 2kcz s GLU 128 CO 0.00 -0.20 1.56 -2.14 -0.54 0.00 0.00 175.26 173.94 2kcz s PRO 129 N 1.56 3.20 1.86 4.30 0.02 -1.26 -4.83 135.00 139.84 2kcz s PRO 129 Ca 0.18 0.68 0.00 0.00 0.02 0.00 0.00 61.00 61.88 2kcz s PRO 129 Cb 0.08 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.42 2kcz s PRO 129 CO -0.13 -2.05 0.00 0.43 -0.33 0.00 0.00 177.00 174.92 2kcz n SER 130 N 10.25 -3.45 -4.30 2.53 7.64 -1.26 -4.87 113.62 120.16 2kcz n SER 130 Ca 0.16 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.74 2kcz n SER 130 Cb 0.49 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.53 2kcz n SER 130 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2kcz s GLN 131 N 0.00 1.99 -0.17 1.43 2.00 -1.26 -4.92 119.66 118.73 2kcz s GLN 131 Ca 0.00 -0.92 -0.04 0.00 -2.00 0.00 0.00 55.36 52.40 2kcz s GLN 131 Cb 0.00 -1.95 0.01 0.00 0.80 0.00 0.00 33.01 31.87 2kcz s GLN 131 CO 0.00 0.53 0.07 1.04 -0.50 0.00 0.00 175.29 176.43 2kcz n GLN 132 N 2.37 -2.63 -3.68 1.67 6.02 -1.26 -5.10 117.38 114.77 2kcz n GLN 132 Ca -0.16 2.21 -0.10 0.00 -0.01 0.00 0.00 57.00 58.94 2kcz n GLN 132 Cb 0.51 -3.80 -0.03 0.00 1.02 0.00 0.00 30.24 27.94 2kcz n GLN 132 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 2kcz s LEU 133 N -0.80 -0.19 -0.14 1.08 -0.00 -1.26 -4.96 118.68 112.41 2kcz s LEU 133 Ca -0.08 -0.38 -0.05 0.00 -0.00 0.00 0.00 54.13 53.61 2kcz s LEU 133 Cb 0.01 2.42 -0.04 0.00 -0.00 0.00 0.00 46.19 48.58 2kcz s LEU 133 CO 0.52 -1.11 0.03 -0.13 -0.00 0.00 0.00 176.35 175.67 2kcz s ARG 134 N -3.85 3.57 0.47 1.48 1.81 -1.26 -4.98 118.95 116.19 2kcz s ARG 134 Ca 0.07 -0.37 0.14 0.00 -1.72 0.00 0.00 55.73 53.85 2kcz s ARG 134 Cb -0.02 -3.03 1.09 0.00 -0.45 0.00 0.00 34.95 32.53 2kcz s ARG 134 CO -0.03 0.45 2.07 -0.44 -0.68 0.00 0.00 175.30 176.67 2kcz h ASP 135 N 6.04 0.08 -0.13 0.23 3.32 -2.00 0.17 116.42 124.14 2kcz h ASP 135 Ca -0.42 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.67 2kcz h ASP 135 Cb 1.18 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.66 2kcz h ASP 135 CO 0.63 0.14 -0.23 0.44 -1.72 0.00 0.00 179.24 178.50 2kcz h ASP 136 N 0.09 -0.70 0.88 6.45 5.19 -2.00 -1.45 116.42 124.88 2kcz h ASP 136 Ca 0.02 0.11 -0.23 0.00 -0.62 0.00 0.00 57.03 56.32 2kcz h ASP 136 Cb 0.13 0.31 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 2kcz h ASP 136 CO 0.01 -0.28 -1.05 0.25 -3.12 0.00 0.00 179.24 175.04 2kcz h LEU 137 N -0.29 0.12 -1.91 1.55 5.85 -1.82 -3.26 115.31 115.55 2kcz h LEU 137 Ca 0.10 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2kcz h LEU 137 Cb 0.44 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 2kcz h LEU 137 CO -0.29 1.09 -0.12 -0.03 -0.34 0.00 0.00 178.44 178.74 2kcz h MET 138 N 0.02 0.00 0.38 1.25 4.05 -0.39 -1.19 114.93 119.06 2kcz h MET 138 Ca -0.04 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 2kcz h MET 138 Cb 1.80 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.61 2kcz h MET 138 CO 0.15 0.12 -0.18 -0.09 0.23 0.00 0.00 176.91 177.14 2kcz h ARG 139 N 0.00 -0.49 0.00 0.39 2.43 -1.31 -3.00 114.38 112.41 2kcz h ARG 139 Ca -0.00 0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.03 2kcz h ARG 139 Cb 0.28 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2kcz h ARG 139 CO 0.02 -0.25 -0.84 0.27 -1.51 0.00 0.00 179.97 177.66 2kcz h PHE 140 N -0.66 0.00 -0.43 2.20 -5.15 -1.69 -3.28 116.94 107.93 2kcz h PHE 140 Ca -0.05 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 57.81 2kcz h PHE 140 Cb 0.47 0.00 -0.09 0.00 0.22 0.00 0.00 35.95 36.55 2kcz h PHE 140 CO -0.02 0.84 -0.21 -0.22 -2.00 0.00 0.00 178.31 176.70 2kcz h LYS 141 N 0.00 -0.12 -0.04 6.09 3.64 -1.20 0.68 116.57 125.62 2kcz h LYS 141 Ca -0.01 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2kcz h LYS 141 Cb 1.51 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.35 2kcz h LYS 141 CO 0.11 -0.08 -0.36 -0.09 -2.27 0.00 0.00 179.45 176.76 2kcz h ARG 142 N -0.13 0.07 -0.18 1.90 1.12 -1.58 -1.86 114.38 113.72 2kcz h ARG 142 Ca 0.21 -0.03 -0.17 0.00 -1.11 0.00 0.00 59.98 58.88 2kcz h ARG 142 Cb 0.45 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.40 2kcz h ARG 142 CO -0.51 0.42 -0.59 0.93 -3.11 0.00 0.00 179.97 177.11 2kcz h GLU 143 N 0.06 0.58 -0.62 0.20 4.39 -1.36 -2.04 114.58 115.78 2kcz h GLU 143 Ca 0.01 -0.38 -0.06 0.00 0.34 0.00 0.00 59.36 59.26 2kcz h GLU 143 Cb 0.66 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 2kcz h GLU 143 CO 0.05 1.00 0.15 1.96 -1.16 0.00 0.00 179.01 181.01 2kcz h GLN 144 N 0.43 0.97 -0.01 2.33 1.08 -0.16 0.36 115.11 120.12 2kcz h GLN 144 Ca -0.00 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2kcz h GLN 144 Cb 1.15 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 2kcz h GLN 144 CO 0.11 0.87 -0.20 -0.85 -0.95 0.00 0.00 178.83 177.81 2kcz n GLU 145 N -4.25 0.77 -0.06 1.46 0.28 -0.77 -4.05 120.64 114.02 2kcz n GLU 145 Ca 0.05 -0.39 -0.07 0.00 -0.16 0.00 0.00 57.16 56.59 2kcz n GLU 145 Cb 0.24 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.56 2kcz n GLU 145 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2kcz n LEU 146 N -0.78 2.48 -4.73 -1.84 7.94 -0.78 -4.94 117.00 114.36 2kcz n LEU 146 Ca 0.13 -0.05 -0.41 0.00 -1.11 0.00 0.00 56.01 54.56 2kcz n LEU 146 Cb 0.32 -0.30 -0.04 0.00 0.53 0.00 0.00 43.42 43.93 2kcz n LEU 146 CO 0.25 0.62 0.75 -0.83 -1.11 0.00 0.00 177.39 177.07 2kcz s GLY 147 N -4.96 2.84 0.00 -3.96 0.00 0.12 -5.05 107.32 96.31 2kcz s GLY 147 Ca -0.14 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.29 2kcz s GLY 147 CO 0.29 1.65 0.00 1.04 0.00 0.00 0.00 173.10 176.08 2kcz n LEU 148 N 2.95 0.00 -0.01 0.66 4.77 -1.26 -4.90 117.00 119.21 2kcz n LEU 148 Ca 0.04 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 2kcz n LEU 148 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 2kcz n LEU 148 CO 0.53 -0.45 0.61 -0.08 -1.33 0.00 0.00 177.39 176.67 2kcz h GLU 149 N 0.00 -0.02 -6.00 3.23 4.81 -1.97 -3.47 114.58 111.16 2kcz h GLU 149 Ca 0.00 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.80 2kcz h GLU 149 Cb 0.00 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.44 2kcz h GLU 149 CO 0.00 0.49 -0.71 0.72 -0.73 0.00 0.00 179.01 178.78 2kcz n HIS 150 N -4.85 -2.57 -4.00 0.92 8.25 -1.26 -4.97 115.22 106.74 2kcz n HIS 150 Ca -0.09 0.94 -0.36 0.00 -0.26 0.00 0.00 57.72 57.96 2kcz n HIS 150 Cb 0.27 -4.50 -0.08 0.00 1.12 0.00 0.00 29.99 26.80 2kcz n HIS 150 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kcz s HIS 151 N -3.30 3.40 -0.04 4.41 3.76 -1.26 -4.96 115.29 117.32 2kcz s HIS 151 Ca 0.61 0.33 0.03 0.00 -0.15 0.00 0.00 55.06 55.89 2kcz s HIS 151 Cb -0.29 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.40 2kcz s HIS 151 CO 0.76 0.50 0.01 0.72 -0.85 0.00 0.00 174.74 175.88 2kcz n HIS 152 N 2.52 0.00 -2.78 1.40 8.25 -1.26 -5.10 115.22 118.25 2kcz n HIS 152 Ca -0.18 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.25 2kcz n HIS 152 Cb 0.54 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2kcz n HIS 152 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kcz n HIS 153 N -2.18 -3.69 -4.36 4.41 -0.00 -1.26 -5.05 115.22 103.08 2kcz n HIS 153 Ca -0.06 1.61 -0.21 0.00 -0.00 0.00 0.00 57.72 59.06 2kcz n HIS 153 Cb 0.61 -3.86 -0.11 0.00 -0.00 0.00 0.00 29.99 26.64 2kcz n HIS 153 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kcz s HIS 154 N -1.81 1.87 0.00 1.57 3.76 -1.26 -5.35 115.29 114.07 2kcz s HIS 154 Ca 0.06 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 2kcz s HIS 154 Cb -0.02 -0.88 0.00 0.00 1.11 0.00 0.00 32.58 32.79 2kcz s HIS 154 CO 0.75 0.41 0.00 1.58 -0.85 0.00 0.00 174.74 176.63