#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 -0.83 3.88 3.17 0.00 -1.26 -5.15 105.19 105.00 2kcz n GLY 2 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2kcz n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kcz s GLU 3 N -0.68 3.73 -0.06 1.61 2.02 -1.26 -4.91 118.70 119.14 2kcz s GLU 3 Ca 0.00 0.32 -0.01 0.00 0.02 0.00 0.00 54.97 55.30 2kcz s GLU 3 Cb 0.00 -2.46 0.03 0.00 0.10 0.00 0.00 34.13 31.79 2kcz s GLU 3 CO 0.00 0.03 -0.01 0.99 0.02 0.00 0.00 175.26 176.29 2kcz s THR 4 N -2.31 0.39 -0.31 3.63 2.01 -1.26 -5.09 115.64 112.71 2kcz s THR 4 Ca 0.49 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.58 2kcz s THR 4 Cb -0.10 -0.52 0.09 0.00 0.01 0.00 0.00 72.50 71.98 2kcz s THR 4 CO 0.31 0.25 0.05 0.54 -0.69 0.00 0.00 174.62 175.08 2kcz s VAL 5 N 1.73 1.63 0.15 3.82 0.11 -1.26 -2.21 120.40 124.37 2kcz s VAL 5 Ca 0.01 -1.82 -0.17 0.00 -2.93 0.00 0.00 61.98 57.07 2kcz s VAL 5 Cb -0.13 -2.17 -0.07 0.00 -1.53 0.00 0.00 36.38 32.49 2kcz s VAL 5 CO -0.04 -0.55 0.61 0.68 -3.33 0.00 0.00 175.10 172.46 2kcz s VAL 6 N 1.25 4.73 -0.18 2.04 -7.23 0.38 -4.85 120.40 116.53 2kcz s VAL 6 Ca 0.08 1.08 -0.04 0.00 -1.81 0.00 0.00 61.98 61.29 2kcz s VAL 6 Cb -0.18 -3.82 0.06 0.00 0.56 0.00 0.00 36.38 33.00 2kcz s VAL 6 CO -0.14 0.33 0.07 0.00 -0.31 0.00 0.00 175.10 175.04 2kcz s ARG 7 N -1.71 0.29 0.30 4.82 1.04 -1.26 0.16 118.95 122.59 2kcz s ARG 7 Ca 0.37 -0.23 0.03 0.00 -1.04 0.00 0.00 55.73 54.85 2kcz s ARG 7 Cb -0.17 -1.92 -0.05 0.00 -2.04 0.00 0.00 34.95 30.78 2kcz s ARG 7 CO 0.20 -0.67 0.11 0.34 -0.04 0.00 0.00 175.30 175.24 2kcz s ASP 8 N 2.03 1.74 -0.10 -2.89 -1.08 -1.14 -4.95 116.67 110.29 2kcz s ASP 8 Ca 0.01 -1.47 -0.04 0.00 -0.52 0.00 0.00 52.55 50.53 2kcz s ASP 8 Cb -0.16 0.22 0.05 0.00 -1.46 0.00 0.00 42.92 41.57 2kcz s ASP 8 CO -0.10 -0.78 0.19 0.00 0.52 0.00 0.00 175.17 175.01 2kcz s ALA 9 N -3.55 -0.33 0.10 3.66 0.00 -1.26 -1.79 121.76 118.60 2kcz s ALA 9 Ca 0.35 0.73 0.07 0.00 0.00 0.00 0.00 51.96 53.11 2kcz s ALA 9 Cb 0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 2kcz s ALA 9 CO 0.15 -0.47 -0.10 0.14 0.00 0.00 0.00 175.76 175.48 2kcz s VAL 10 N 2.01 3.35 -0.40 0.00 -7.23 -0.96 -4.86 120.40 112.30 2kcz s VAL 10 Ca -0.01 -1.24 -0.14 0.00 -1.81 0.00 0.00 61.98 58.78 2kcz s VAL 10 Cb -0.12 -2.55 0.02 0.00 0.56 0.00 0.00 36.38 34.29 2kcz s VAL 10 CO -0.07 0.14 0.28 -0.89 -0.31 0.00 0.00 175.10 174.25 2kcz s THR 11 N -1.19 5.11 0.06 5.32 2.01 -1.26 -0.86 115.64 124.83 2kcz s THR 11 Ca 0.21 -0.72 0.09 0.00 0.31 0.00 0.00 61.69 61.58 2kcz s THR 11 Cb -0.11 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 2kcz s THR 11 CO 0.13 -0.30 -0.23 -0.63 -0.69 0.00 0.00 174.62 172.89 2kcz s ILE 12 N 1.65 2.42 -1.12 1.82 1.09 -0.32 -4.92 121.20 121.82 2kcz s ILE 12 Ca 0.04 -1.39 -0.08 0.00 -1.10 0.00 0.00 60.65 58.12 2kcz s ILE 12 Cb -0.19 -2.00 -0.11 0.00 -1.06 0.00 0.00 42.46 39.09 2kcz s ILE 12 CO 0.09 0.29 3.08 0.61 -0.10 0.00 0.00 174.94 178.92 2kcz n GLY 13 N 1.49 4.01 3.41 6.18 0.00 -1.26 -0.73 105.19 118.29 2kcz n GLY 13 Ca -0.17 -1.49 -0.24 0.00 0.00 0.00 0.00 46.02 44.12 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 1.40 1.49 0.08 1.61 -0.14 -1.26 -4.97 119.74 117.95 2kcz s LYS 14 Ca 0.67 -1.57 -0.35 0.00 -1.36 0.00 0.00 55.97 53.36 2kcz s LYS 14 Cb 0.23 -1.64 -0.17 0.00 -1.68 0.00 0.00 37.83 34.56 2kcz s LYS 14 CO -0.05 0.33 1.58 -1.35 -0.76 0.00 0.00 175.35 175.09 2kcz h PRO 15 N 2.90 -0.99 0.00 -1.68 0.11 -1.98 -3.33 132.00 127.03 2kcz h PRO 15 Ca -0.43 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2kcz h PRO 15 Cb 1.22 0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.56 2kcz h PRO 15 CO 0.53 -0.66 0.00 0.00 -0.21 0.00 0.00 178.00 177.66 2kcz n ALA 16 N -2.74 0.00 -0.07 -0.75 0.00 -1.26 -4.78 120.51 110.90 2kcz n ALA 16 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 2kcz n ALA 16 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.31 0.00 0.00 4.22 -1.92 -1.29 114.58 115.28 2kcz h GLU 17 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2kcz h GLU 17 Cb 0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kcz h GLU 17 CO 0.00 -0.21 0.00 1.04 -2.18 0.00 0.00 179.01 177.66 2kcz n GLN 18 N -5.41 0.03 0.27 1.92 1.13 -1.26 -2.26 117.38 111.80 2kcz n GLN 18 Ca -0.01 0.29 0.14 0.00 -1.94 0.00 0.00 57.00 55.48 2kcz n GLN 18 Cb 0.34 -1.56 0.79 0.00 0.11 0.00 0.00 30.24 29.92 2kcz n GLN 18 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2kcz h LEU 19 N 0.00 0.00 -0.89 1.08 3.38 -1.63 -0.01 115.31 117.24 2kcz h LEU 19 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2kcz h LEU 19 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2kcz h LEU 19 CO 0.00 0.08 -0.32 0.22 0.09 0.00 0.00 178.44 178.51 2kcz h TYR 20 N 0.00 0.00 0.00 1.13 5.03 -1.61 -3.11 116.97 118.41 2kcz h TYR 20 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2kcz h TYR 20 Cb 0.24 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.52 2kcz h TYR 20 CO 0.00 0.32 0.00 0.00 -1.32 0.00 0.00 178.16 177.16 2kcz n ALA 21 N -2.26 2.03 0.25 1.82 0.00 -0.02 -3.73 120.51 118.60 2kcz n ALA 21 Ca 0.00 -0.08 0.16 0.00 0.00 0.00 0.00 53.44 53.52 2kcz n ALA 21 Cb 0.50 -1.35 0.75 0.00 0.00 0.00 0.00 19.45 19.35 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 0.12 -0.97 0.00 3.04 -1.58 0.14 116.25 117.00 2kcz h VAL 22 Ca 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 66.70 65.88 2kcz h VAL 22 Cb 0.33 0.62 -0.09 0.00 -2.01 0.00 0.00 31.29 30.14 2kcz h VAL 22 CO 0.00 0.00 0.61 -0.25 -1.01 0.00 0.00 177.57 176.92 2kcz h TRP 23 N 0.00 0.89 -1.48 3.17 2.91 -1.86 -3.26 115.95 116.33 2kcz h TRP 23 Ca 0.07 0.03 -0.42 0.00 1.13 0.00 0.00 58.89 59.69 2kcz h TRP 23 Cb 0.90 -0.27 -0.33 0.00 -0.51 0.00 0.00 29.16 28.94 2kcz h TRP 23 CO 0.00 0.22 -0.99 -2.13 -1.03 0.00 0.00 178.44 174.51 2kcz n ARG 24 N -4.66 0.95 -1.25 2.65 3.00 0.47 -5.12 116.66 112.70 2kcz n ARG 24 Ca 0.22 -2.98 0.16 0.00 -0.00 0.00 0.00 57.85 55.25 2kcz n ARG 24 Cb 0.60 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.50 2kcz n ARG 24 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kcz n ASP 25 N 0.44 -7.51 -4.25 6.15 2.03 -1.17 -4.64 116.55 107.60 2kcz n ASP 25 Ca 0.20 0.84 -0.43 0.00 0.52 0.00 0.00 54.79 55.92 2kcz n ASP 25 Cb 0.66 -4.01 -0.04 0.00 -0.72 0.00 0.00 41.12 37.01 2kcz n ASP 25 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kcz s LEU 26 N -6.88 6.17 0.26 -2.67 2.01 -1.26 -4.09 118.68 112.22 2kcz s LEU 26 Ca 0.00 -3.14 0.10 0.00 0.01 0.00 0.00 54.13 51.10 2kcz s LEU 26 Cb 0.00 -2.09 0.30 0.00 0.01 0.00 0.00 46.19 44.40 2kcz s LEU 26 CO 0.00 -0.39 1.57 1.55 1.01 0.00 0.00 176.35 180.09 2kcz h PRO 27 N 7.04 0.00 -0.84 1.29 0.13 -1.90 -3.47 132.00 134.24 2kcz h PRO 27 Ca 0.11 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.12 2kcz h PRO 27 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2kcz h PRO 27 CO 0.83 0.65 -0.16 0.41 -0.23 0.00 0.00 178.00 179.51 2kcz n GLY 28 N 0.39 0.20 2.69 1.56 0.00 -1.26 -5.01 105.19 103.76 2kcz n GLY 28 Ca -0.01 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 2kcz n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kcz n LEU 29 N -0.90 1.79 -0.43 0.99 4.32 -1.26 -4.86 117.00 116.65 2kcz n LEU 29 Ca -0.07 -4.92 0.08 0.00 -0.02 0.00 0.00 56.01 51.08 2kcz n LEU 29 Cb 0.52 -0.27 0.33 0.00 -1.62 0.00 0.00 43.42 42.38 2kcz n LEU 29 CO 0.09 1.81 0.74 -0.81 -1.22 0.00 0.00 177.39 178.00 2kcz n PRO 30 N 2.19 1.56 0.00 3.23 -0.04 -1.26 -4.10 135.00 136.58 2kcz n PRO 30 Ca 0.24 -0.85 0.15 0.00 -0.04 0.00 0.00 63.50 63.00 2kcz n PRO 30 Cb 0.40 -1.32 0.73 0.00 -0.04 0.00 0.00 33.50 33.27 2kcz n PRO 30 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kcz n LEU 31 N 0.10 0.76 0.00 1.53 4.32 -1.26 -3.97 117.00 118.48 2kcz n LEU 31 Ca 0.14 -0.25 0.01 0.00 -0.02 0.00 0.00 56.01 55.89 2kcz n LEU 31 Cb 0.25 -0.01 0.08 0.00 -1.62 0.00 0.00 43.42 42.13 2kcz n LEU 31 CO 0.10 0.13 0.48 0.18 -1.22 0.00 0.00 177.39 177.06 2kcz n LEU 32 N -0.42 0.00 0.02 2.23 7.99 -1.25 -3.43 117.00 122.14 2kcz n LEU 32 Ca 0.21 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.24 2kcz n LEU 32 Cb 0.24 0.00 0.40 0.00 -0.11 0.00 0.00 43.42 43.94 2kcz n LEU 32 CO 0.17 0.00 1.07 -0.03 -1.51 0.00 0.00 177.39 177.09 2kcz h MET 33 N 0.00 0.48 -7.30 3.23 1.85 -1.42 -3.41 114.93 108.37 2kcz h MET 33 Ca 0.00 -0.06 -0.50 0.00 -0.61 0.00 0.00 59.70 58.53 2kcz h MET 33 Cb 0.00 -0.09 0.07 0.00 0.43 0.00 0.00 31.60 32.01 2kcz h MET 33 CO 0.00 0.40 0.38 0.95 -0.40 0.00 0.00 176.91 178.24 2kcz s THR 34 N -5.25 4.21 -0.67 -0.77 -4.23 -1.22 -4.87 115.64 102.84 2kcz s THR 34 Ca -0.08 0.82 -0.26 0.00 -1.18 0.00 0.00 61.69 61.00 2kcz s THR 34 Cb 0.17 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 2kcz s THR 34 CO 0.74 -0.83 2.01 -2.28 -0.54 0.00 0.00 174.62 173.72 2kcz s HIS 35 N -2.90 1.56 0.00 3.99 5.65 -1.26 -4.86 115.29 117.46 2kcz s HIS 35 Ca 0.59 0.97 0.00 0.00 0.25 0.00 0.00 55.06 56.86 2kcz s HIS 35 Cb -0.13 -3.95 0.00 0.00 -1.18 0.00 0.00 32.58 27.32 2kcz s HIS 35 CO 0.48 -2.17 0.00 1.28 -0.65 0.00 0.00 174.74 173.68 2kcz n LEU 36 N 13.98 0.00 -4.97 8.88 4.77 -1.26 -5.16 117.00 133.23 2kcz n LEU 36 Ca 0.29 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.06 2kcz n LEU 36 Cb 0.51 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 2kcz n LEU 36 CO 0.67 0.00 0.22 0.00 -1.33 0.00 0.00 177.39 176.95 2kcz s ARG 37 N 1.54 2.97 -0.80 3.23 1.70 -1.26 -5.01 118.95 121.32 2kcz s ARG 37 Ca 0.00 -0.76 -0.25 0.00 -0.47 0.00 0.00 55.73 54.24 2kcz s ARG 37 Cb 0.00 -2.64 0.00 0.00 -0.57 0.00 0.00 34.95 31.74 2kcz s ARG 37 CO 0.00 -0.25 1.63 -1.12 -1.08 0.00 0.00 175.30 174.49 2kcz s SER 38 N -4.25 5.76 -0.12 -2.89 0.01 -1.26 -4.92 113.70 106.03 2kcz s SER 38 Ca 0.49 -0.51 -0.04 0.00 1.31 0.00 0.00 55.95 57.21 2kcz s SER 38 Cb -0.10 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.64 2kcz s SER 38 CO 0.35 -2.12 0.17 0.68 0.41 0.00 0.00 173.24 172.74 2kcz s VAL 39 N 7.48 -0.27 0.00 3.43 -7.23 -1.26 -5.05 120.40 117.51 2kcz s VAL 39 Ca 0.54 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 2kcz s VAL 39 Cb -0.07 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.46 2kcz s VAL 39 CO 0.07 0.03 0.00 -0.62 -0.31 0.00 0.00 175.10 174.27 2kcz n GLU 40 N 5.32 0.00 -1.89 4.82 4.71 -1.26 -4.75 120.64 127.59 2kcz n GLU 40 Ca -0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.69 2kcz n GLU 40 Cb 0.50 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.91 2kcz n GLU 40 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2kcz s VAL 41 N 0.00 2.29 0.00 2.62 1.01 -1.26 -3.27 120.40 121.79 2kcz s VAL 41 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2kcz s VAL 41 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2kcz s VAL 41 CO 0.00 0.06 0.00 -0.11 0.00 0.00 0.00 175.10 175.05 2kcz n LEU 42 N 1.27 1.96 0.09 3.92 7.94 0.42 -4.48 117.00 128.11 2kcz n LEU 42 Ca 0.03 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.81 2kcz n LEU 42 Cb 0.39 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.26 2kcz n LEU 42 CO 0.62 0.00 0.62 0.44 -1.11 0.00 0.00 177.39 177.96 2kcz h ASP 43 N 0.00 -0.20 0.00 1.96 3.32 -1.71 -1.61 116.42 118.18 2kcz h ASP 43 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2kcz h ASP 43 Cb 0.00 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2kcz h ASP 43 CO 0.00 0.15 0.00 -0.67 -1.72 0.00 0.00 179.24 177.00 2kcz n ASP 44 N -5.04 0.00 -0.08 6.45 2.03 -1.26 -4.20 116.55 114.45 2kcz n ASP 44 Ca -0.09 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.16 2kcz n ASP 44 Cb 0.23 0.02 -0.15 0.00 -0.72 0.00 0.00 41.12 40.49 2kcz n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kcz n LYS 45 N -0.87 0.82 -1.84 -0.67 4.01 -1.26 -4.91 118.16 113.44 2kcz n LYS 45 Ca 0.00 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 2kcz n LYS 45 Cb 0.00 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.03 2kcz n LYS 45 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2kcz n ARG 46 N -2.63 1.86 -2.18 1.97 5.12 -1.26 -5.01 116.66 114.53 2kcz n ARG 46 Ca -0.27 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.62 2kcz n ARG 46 Cb 1.03 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 32.30 2kcz n ARG 46 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2kcz n SER 47 N -1.29 -2.02 -2.66 0.55 7.64 -1.21 -3.16 113.62 111.46 2kcz n SER 47 Ca 0.00 0.99 -0.06 0.00 1.01 0.00 0.00 58.87 60.81 2kcz n SER 47 Cb 0.00 -3.91 0.05 0.00 -1.01 0.00 0.00 64.21 59.33 2kcz n SER 47 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kcz n ARG 48 N 1.19 -1.26 0.00 1.43 1.74 -1.26 -0.44 116.66 118.06 2kcz n ARG 48 Ca -0.24 -0.34 0.00 0.00 -0.77 0.00 0.00 57.85 56.50 2kcz n ARG 48 Cb 0.37 -0.30 0.00 0.00 -1.02 0.00 0.00 32.46 31.51 2kcz n ARG 48 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2kcz n TRP 49 N -2.87 0.00 0.00 -1.55 2.14 -1.20 -4.03 117.44 109.93 2kcz n TRP 49 Ca 0.03 -0.21 0.00 0.00 2.07 0.00 0.00 57.50 59.39 2kcz n TRP 49 Cb 0.11 -0.15 0.00 0.00 -0.81 0.00 0.00 31.31 30.46 2kcz n TRP 49 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 2kcz n THR 50 N 0.35 0.00 -2.10 -1.67 -1.04 -1.26 -4.75 114.28 103.80 2kcz n THR 50 Ca 0.00 1.36 -0.13 0.00 -2.04 0.00 0.00 64.05 63.23 2kcz n THR 50 Cb 0.31 -2.35 -0.02 0.00 -1.82 0.00 0.00 70.33 66.44 2kcz n THR 50 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2kcz n VAL 51 N -1.65 -0.43 -1.12 12.58 0.31 -1.26 -4.79 118.33 121.96 2kcz n VAL 51 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2kcz n VAL 51 Cb 0.00 -1.72 0.26 0.00 -0.91 0.00 0.00 33.84 31.47 2kcz n VAL 51 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2kcz n GLU 52 N -2.53 2.87 -3.61 5.55 0.00 -1.26 -4.93 120.64 116.74 2kcz n GLU 52 Ca -0.15 -2.99 -0.10 0.00 0.00 0.00 0.00 57.16 53.92 2kcz n GLU 52 Cb 0.56 -1.93 -0.06 0.00 0.00 0.00 0.00 31.44 30.01 2kcz n GLU 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kcz s ALA 53 N -2.97 -1.94 -0.22 4.31 0.00 -1.26 -5.02 121.76 114.65 2kcz s ALA 53 Ca 0.46 1.74 -0.29 0.00 0.00 0.00 0.00 51.96 53.87 2kcz s ALA 53 Cb 0.38 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 2kcz s ALA 53 CO 0.08 -0.27 1.67 -1.25 0.00 0.00 0.00 175.76 175.99 2kcz s PRO 54 N -0.35 3.73 0.38 0.00 0.04 -1.26 -4.67 135.00 132.88 2kcz s PRO 54 Ca 0.01 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2kcz s PRO 54 Cb -0.03 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.44 2kcz s PRO 54 CO -0.02 -1.37 0.00 0.00 0.04 0.00 0.00 177.00 175.64 2kcz n ALA 55 N 8.73 -1.68 -0.14 8.56 0.00 -1.26 -3.45 120.51 131.28 2kcz n ALA 55 Ca 0.20 0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.93 2kcz n ALA 55 Cb 0.45 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 18.80 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 0.73 0.12 -0.05 0.00 0.13 -1.93 -1.43 132.00 129.57 2kcz h PRO 56 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2kcz h PRO 56 Cb 0.27 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.38 2kcz h PRO 56 CO 0.00 0.08 0.00 1.28 -0.23 0.00 0.00 178.00 179.13 2kcz n LEU 57 N -5.20 1.56 0.23 1.56 4.32 -1.26 -3.79 117.00 114.43 2kcz n LEU 57 Ca 0.04 -0.55 0.15 0.00 -0.02 0.00 0.00 56.01 55.63 2kcz n LEU 57 Cb 0.23 -0.02 0.53 0.00 -1.62 0.00 0.00 43.42 42.54 2kcz n LEU 57 CO 0.18 0.27 0.93 1.23 -1.22 0.00 0.00 177.39 178.78 2kcz h GLY 58 N 4.88 0.00 0.00 -0.72 0.00 -1.28 -3.42 103.07 102.53 2kcz h GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kcz h GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2kcz n ALA 59 N -2.02 0.66 -2.59 3.60 0.00 -1.26 -4.87 120.51 114.04 2kcz n ALA 59 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.05 2kcz n ALA 59 Cb 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.58 5.07 -1.57 0.00 0.11 -1.25 -4.92 120.40 116.26 2kcz s VAL 60 Ca 0.00 0.55 0.29 0.00 -2.93 0.00 0.00 61.98 59.90 2kcz s VAL 60 Cb 0.00 -3.87 0.59 0.00 -1.53 0.00 0.00 36.38 31.58 2kcz s VAL 60 CO 0.00 -0.05 2.04 -1.20 -3.33 0.00 0.00 175.10 172.56 2kcz n SER 61 N 5.60 0.00 -0.24 3.54 7.64 -1.26 -3.11 113.62 125.78 2kcz n SER 61 Ca -0.05 -0.33 0.13 0.00 1.01 0.00 0.00 58.87 59.62 2kcz n SER 61 Cb 0.49 -0.21 0.34 0.00 -1.01 0.00 0.00 64.21 63.82 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 -1.21 0.00 -2.26 1.43 7.02 -1.26 -2.18 117.44 118.97 2kcz n TRP 62 Ca 0.16 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.37 2kcz n TRP 62 Cb 0.20 -0.12 0.05 0.00 -2.42 0.00 0.00 31.31 29.02 2kcz n TRP 62 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2kcz s GLU 63 N -2.54 2.60 -0.02 -0.99 2.56 -1.18 -4.92 118.70 114.20 2kcz s GLU 63 Ca 0.23 -0.07 0.08 0.00 0.00 0.00 0.00 54.97 55.21 2kcz s GLU 63 Cb 0.19 -2.20 -0.02 0.00 2.00 0.00 0.00 34.13 34.10 2kcz s GLU 63 CO 0.54 -0.97 -0.25 0.00 -0.56 0.00 0.00 175.26 174.02 2kcz s ALA 64 N -3.14 2.09 0.22 6.30 0.00 -1.26 -3.29 121.76 122.69 2kcz s ALA 64 Ca 0.57 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.52 2kcz s ALA 64 Cb -0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 2kcz s ALA 64 CO 0.46 0.50 0.15 -2.00 0.00 0.00 0.00 175.76 174.87 2kcz s GLU 65 N -0.54 2.84 -0.05 0.00 -6.30 -1.24 -3.35 118.70 110.06 2kcz s GLU 65 Ca 0.08 -1.03 0.01 0.00 -2.50 0.00 0.00 54.97 51.53 2kcz s GLU 65 Cb -0.10 -2.54 -0.03 0.00 0.00 0.00 0.00 34.13 31.45 2kcz s GLU 65 CO -0.00 0.42 -0.05 -1.17 0.02 0.00 0.00 175.26 174.48 2kcz s LEU 66 N -3.57 3.28 0.00 2.70 2.96 -1.26 -3.01 118.68 119.78 2kcz s LEU 66 Ca 0.32 -0.02 0.13 0.00 -0.22 0.00 0.00 54.13 54.34 2kcz s LEU 66 Cb -0.08 -1.78 -0.06 0.00 0.50 0.00 0.00 46.19 44.77 2kcz s LEU 66 CO 0.24 0.34 0.67 1.07 -1.32 0.00 0.00 176.35 177.35 2kcz n THR 67 N 1.97 0.00 -3.67 3.68 5.66 -1.12 -4.93 114.28 115.87 2kcz n THR 67 Ca -0.17 -0.29 -0.08 0.00 -3.05 0.00 0.00 64.05 60.46 2kcz n THR 67 Cb 0.53 1.09 -0.09 0.00 -1.55 0.00 0.00 70.33 70.31 2kcz n THR 67 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kcz s ALA 68 N -1.92 -1.33 -0.29 1.79 0.00 -1.20 -4.89 121.76 113.92 2kcz s ALA 68 Ca 0.09 1.74 0.19 0.00 0.00 0.00 0.00 51.96 53.97 2kcz s ALA 68 Cb 0.10 -1.26 0.48 0.00 0.00 0.00 0.00 23.12 22.45 2kcz s ALA 68 CO 0.43 -0.56 1.07 -0.40 0.00 0.00 0.00 175.76 176.30 2kcz n ASP 69 N 4.86 2.14 -4.72 0.00 5.68 -1.26 -2.63 116.55 120.63 2kcz n ASP 69 Ca -0.16 -2.53 -0.40 0.00 -0.50 0.00 0.00 54.79 51.20 2kcz n ASP 69 Cb 0.53 -0.48 0.02 0.00 -1.14 0.00 0.00 41.12 40.05 2kcz n ASP 69 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2kcz n GLU 70 N -0.45 1.96 -1.55 0.11 -0.58 -1.09 -4.74 120.64 114.28 2kcz n GLU 70 Ca 0.14 0.70 -0.20 0.00 -0.42 0.00 0.00 57.16 57.38 2kcz n GLU 70 Cb 0.82 -2.46 -0.07 0.00 -0.57 0.00 0.00 31.44 29.16 2kcz n GLU 70 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2kcz n PRO 71 N -0.16 0.67 -2.94 3.49 -0.02 -1.26 -2.58 135.00 132.19 2kcz n PRO 71 Ca 0.07 -0.58 -0.22 0.00 -2.02 0.00 0.00 63.50 60.75 2kcz n PRO 71 Cb 0.41 -3.51 0.02 0.00 -0.02 0.00 0.00 33.50 30.41 2kcz n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kcz n GLY 72 N 6.54 -0.52 0.00 -1.23 0.00 -1.26 -4.86 105.19 103.86 2kcz n GLY 72 Ca 0.45 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2kcz n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kcz n LYS 73 N -3.82 0.00 -4.04 1.61 5.02 -1.06 -4.62 118.16 111.25 2kcz n LYS 73 Ca -0.13 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.83 2kcz n LYS 73 Cb 0.63 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.49 2kcz n LYS 73 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2kcz s ARG 74 N 0.00 2.60 -0.18 1.97 3.52 -1.26 0.27 118.95 125.87 2kcz s ARG 74 Ca 0.00 -1.12 -0.00 0.00 -0.13 0.00 0.00 55.73 54.48 2kcz s ARG 74 Cb 0.00 -2.87 0.01 0.00 -1.56 0.00 0.00 34.95 30.53 2kcz s ARG 74 CO 0.00 -0.44 -0.15 0.42 -0.81 0.00 0.00 175.30 174.32 2kcz s ILE 75 N 1.22 2.54 -0.27 4.11 1.09 0.11 -2.67 121.20 127.33 2kcz s ILE 75 Ca -0.03 -0.79 -0.06 0.00 -1.10 0.00 0.00 60.65 58.68 2kcz s ILE 75 Cb -0.17 -2.09 0.00 0.00 -1.06 0.00 0.00 42.46 39.14 2kcz s ILE 75 CO -0.06 0.51 0.04 0.00 -0.10 0.00 0.00 174.94 175.32 2kcz s ALA 76 N 1.17 2.98 0.12 9.38 0.00 -1.08 0.15 121.76 134.48 2kcz s ALA 76 Ca 0.01 -1.37 -0.20 0.00 0.00 0.00 0.00 51.96 50.40 2kcz s ALA 76 Cb -0.14 -2.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.91 2kcz s ALA 76 CO -0.06 -0.78 0.63 1.67 0.00 0.00 0.00 175.76 177.22 2kcz s TRP 77 N 1.48 3.78 0.30 0.00 -2.14 -1.16 -2.79 118.94 118.41 2kcz s TRP 77 Ca 0.03 1.33 0.04 0.00 2.66 0.00 0.00 56.10 60.16 2kcz s TRP 77 Cb -0.16 -2.55 -0.03 0.00 -3.10 0.00 0.00 33.47 27.62 2kcz s TRP 77 CO 0.01 0.52 0.19 1.03 -2.66 0.00 0.00 176.95 176.03 2kcz s ARG 78 N -1.36 1.59 0.15 3.25 1.81 -1.16 -4.01 118.95 119.21 2kcz s ARG 78 Ca 0.34 -1.91 -0.06 0.00 -1.72 0.00 0.00 55.73 52.38 2kcz s ARG 78 Cb -0.19 0.07 -0.02 0.00 -0.45 0.00 0.00 34.95 34.36 2kcz s ARG 78 CO 0.21 -0.50 0.19 -1.54 -0.68 0.00 0.00 175.30 172.97 2kcz s SER 79 N -3.35 0.15 0.44 0.23 1.04 -1.25 -3.64 113.70 107.32 2kcz s SER 79 Ca 0.37 -0.98 -0.21 0.00 0.48 0.00 0.00 55.95 55.61 2kcz s SER 79 Cb 0.04 0.38 -0.10 0.00 0.10 0.00 0.00 66.02 66.44 2kcz s SER 79 CO 0.20 -0.82 0.99 -0.76 0.98 0.00 0.00 173.24 173.82 2kcz s LEU 80 N -2.99 3.95 0.57 2.42 1.43 -1.21 -4.73 118.68 118.12 2kcz s LEU 80 Ca 0.19 1.81 0.27 0.00 -1.03 0.00 0.00 54.13 55.37 2kcz s LEU 80 Cb 0.05 -4.48 1.52 0.00 0.03 0.00 0.00 46.19 43.31 2kcz s LEU 80 CO -0.00 -0.50 2.02 -0.65 0.23 0.00 0.00 176.35 177.45 2kcz h PRO 81 N 1.93 0.00 -0.04 1.29 0.11 -1.93 0.12 132.00 133.48 2kcz h PRO 81 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kcz h PRO 81 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kcz h PRO 81 CO 0.61 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 2kcz n GLY 82 N -1.51 -0.08 3.89 -0.55 0.00 -1.26 -4.90 105.19 100.78 2kcz n GLY 82 Ca 0.06 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.97 3.29 -1.48 4.61 0.00 0.03 -4.64 121.76 121.60 2kcz s ALA 83 Ca 0.38 -0.33 0.19 0.00 0.00 0.00 0.00 51.96 52.20 2kcz s ALA 83 Cb 0.20 -2.77 0.65 0.00 0.00 0.00 0.00 23.12 21.21 2kcz s ALA 83 CO 0.33 -0.43 1.55 0.54 0.00 0.00 0.00 175.76 177.75 2kcz n ARG 84 N -2.32 3.21 -3.32 0.00 3.00 -1.26 -4.70 116.66 111.28 2kcz n ARG 84 Ca 0.03 -2.61 -0.45 0.00 -0.01 0.00 0.00 57.85 54.81 2kcz n ARG 84 Cb 0.55 -1.74 -0.00 0.00 0.00 0.00 0.00 32.46 31.26 2kcz n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2kcz s ILE 85 N -1.56 5.96 -0.95 0.55 1.09 -1.26 -4.97 121.20 120.06 2kcz s ILE 85 Ca 0.47 -3.39 -0.23 0.00 -1.10 0.00 0.00 60.65 56.40 2kcz s ILE 85 Cb 0.28 -4.62 0.06 0.00 -1.06 0.00 0.00 42.46 37.12 2kcz s ILE 85 CO 0.26 -1.21 1.37 -0.70 -0.10 0.00 0.00 174.94 174.56 2kcz s GLU 86 N -1.12 3.51 -0.12 2.79 2.12 -1.26 -4.82 118.70 119.80 2kcz s GLU 86 Ca 0.31 -1.04 -0.11 0.00 0.36 0.00 0.00 54.97 54.49 2kcz s GLU 86 Cb -0.10 -5.08 0.03 0.00 0.26 0.00 0.00 34.13 29.24 2kcz s GLU 86 CO -0.08 -2.14 0.31 1.21 -0.54 0.00 0.00 175.26 174.03 2kcz s ASN 87 N 4.58 -0.33 -0.09 -1.70 2.47 -1.26 -4.79 114.94 113.82 2kcz s ASN 87 Ca 0.42 0.63 0.03 0.00 0.42 0.00 0.00 52.86 54.36 2kcz s ASN 87 Cb -0.02 0.64 0.01 0.00 -1.45 0.00 0.00 41.25 40.42 2kcz s ASN 87 CO -0.05 -0.11 -0.17 -0.44 -3.72 0.00 0.00 177.10 172.61 2kcz s SER 88 N 0.18 2.42 0.31 -4.21 0.01 -1.26 -4.78 113.70 106.37 2kcz s SER 88 Ca -0.00 -0.43 -0.14 0.00 1.31 0.00 0.00 55.95 56.69 2kcz s SER 88 Cb -0.02 -1.11 0.02 0.00 0.21 0.00 0.00 66.02 65.12 2kcz s SER 88 CO 0.00 0.07 0.63 -0.83 0.41 0.00 0.00 173.24 173.53 2kcz s GLY 89 N 0.65 0.49 -0.28 3.44 0.00 -1.26 -3.65 107.32 106.70 2kcz s GLY 89 Ca -0.14 -0.80 -0.16 0.00 0.00 0.00 0.00 44.72 43.63 2kcz s GLY 89 CO 0.04 -0.46 0.78 1.85 0.00 0.00 0.00 173.10 175.31 2kcz s GLU 90 N -3.33 0.59 -0.16 2.90 2.12 -1.24 -2.97 118.70 116.61 2kcz s GLU 90 Ca 0.19 1.06 0.01 0.00 0.36 0.00 0.00 54.97 56.58 2kcz s GLU 90 Cb -0.03 0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.56 2kcz s GLU 90 CO 0.11 -0.13 -0.17 0.54 -0.54 0.00 0.00 175.26 175.07 2kcz s VAL 91 N 1.67 1.78 -0.20 3.70 0.11 0.12 -1.47 120.40 126.11 2kcz s VAL 91 Ca -0.09 -0.77 -0.04 0.00 -2.93 0.00 0.00 61.98 58.15 2kcz s VAL 91 Cb -0.05 -1.63 -0.01 0.00 -1.53 0.00 0.00 36.38 33.15 2kcz s VAL 91 CO -0.18 0.49 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.28 2kcz s LEU 92 N 1.32 3.00 -0.13 2.54 1.02 -0.79 0.07 118.68 125.71 2kcz s LEU 92 Ca 0.03 -0.32 -0.23 0.00 0.02 0.00 0.00 54.13 53.63 2kcz s LEU 92 Cb -0.13 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 2kcz s LEU 92 CO -0.10 0.03 0.69 -0.36 0.02 0.00 0.00 176.35 176.63 2kcz s PHE 93 N 1.20 3.48 0.03 0.29 0.08 0.14 -2.82 117.98 120.38 2kcz s PHE 93 Ca 0.03 1.13 0.06 0.00 0.12 0.00 0.00 56.93 58.26 2kcz s PHE 93 Cb -0.14 -2.83 -0.02 0.00 -0.57 0.00 0.00 43.02 39.46 2kcz s PHE 93 CO -0.01 -0.05 -0.17 -0.98 -0.10 0.00 0.00 175.22 173.91 2kcz s ARG 94 N 1.40 1.17 0.19 0.44 3.03 -0.64 -4.74 118.95 119.81 2kcz s ARG 94 Ca 0.34 -0.77 -0.31 0.00 2.03 0.00 0.00 55.73 57.02 2kcz s ARG 94 Cb -0.17 -1.20 -0.10 0.00 -1.03 0.00 0.00 34.95 32.44 2kcz s ARG 94 CO 0.14 0.31 1.58 -2.14 -1.13 0.00 0.00 175.30 174.06 2kcz s PRO 95 N -0.97 4.20 0.31 3.89 0.02 -1.26 0.17 135.00 141.36 2kcz s PRO 95 Ca 0.05 2.41 -0.27 0.00 0.02 0.00 0.00 61.00 63.21 2kcz s PRO 95 Cb -0.08 -3.12 -0.10 0.00 0.02 0.00 0.00 34.50 31.22 2kcz s PRO 95 CO 0.01 -0.61 0.94 0.00 -0.33 0.00 0.00 177.00 177.01 2kcz s ALA 96 N 0.90 3.24 0.41 -1.55 0.00 0.21 -4.76 121.76 120.21 2kcz s ALA 96 Ca 0.69 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.92 2kcz s ALA 96 Cb -0.45 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.39 2kcz s ALA 96 CO 0.34 0.18 1.35 -0.35 0.00 0.00 0.00 175.76 177.29 2kcz n PRO 97 N 0.74 2.14 -1.19 0.00 -0.04 -1.26 -2.30 135.00 133.09 2kcz n PRO 97 Ca 0.01 0.76 -0.05 0.00 -0.04 0.00 0.00 63.50 64.18 2kcz n PRO 97 Cb 0.49 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.45 2kcz n PRO 97 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kcz n GLY 98 N 0.69 0.78 3.45 0.55 0.00 -1.26 -3.16 105.19 106.23 2kcz n GLY 98 Ca 0.05 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 2kcz n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcz n ALA 99 N 1.01 -1.10 0.31 4.61 0.00 -0.97 -4.84 120.51 119.52 2kcz n ALA 99 Ca -0.06 0.16 0.15 0.00 0.00 0.00 0.00 53.44 53.70 2kcz n ALA 99 Cb 0.19 -3.52 0.54 0.00 0.00 0.00 0.00 19.45 16.67 2kcz n ALA 99 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2kcz h ARG 100 N -1.38 0.00 0.00 0.00 9.65 -1.50 -3.49 114.38 117.66 2kcz h ARG 100 Ca -0.50 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 2kcz h ARG 100 Cb 1.33 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 2kcz h ARG 100 CO 0.58 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.76 2kcz n GLY 101 N 0.30 0.23 3.15 2.80 0.00 -1.26 -4.57 105.19 105.84 2kcz n GLY 101 Ca 0.02 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.00 1.65 -0.27 2.61 2.01 0.09 -0.62 115.64 117.12 2kcz s THR 102 Ca 0.00 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 2kcz s THR 102 Cb 0.00 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 2kcz s THR 102 CO 0.00 0.47 0.20 -0.70 -0.69 0.00 0.00 174.62 173.90 2kcz s GLU 103 N 0.35 3.99 -0.39 4.92 2.12 0.13 -1.17 118.70 128.65 2kcz s GLU 103 Ca -0.14 -0.28 -0.16 0.00 0.36 0.00 0.00 54.97 54.76 2kcz s GLU 103 Cb -0.16 -3.63 0.01 0.00 0.26 0.00 0.00 34.13 30.61 2kcz s GLU 103 CO 0.06 -0.12 0.36 0.54 -0.54 0.00 0.00 175.26 175.56 2kcz s VAL 104 N 1.59 5.18 -0.27 3.70 0.11 -0.04 -1.62 120.40 129.05 2kcz s VAL 104 Ca 0.08 -0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 58.73 2kcz s VAL 104 Cb -0.15 -3.91 -0.04 0.00 -1.53 0.00 0.00 36.38 30.74 2kcz s VAL 104 CO 0.09 -0.25 0.15 0.54 -3.33 0.00 0.00 175.10 172.30 2kcz s VAL 105 N 1.94 5.02 0.07 2.04 0.11 -1.13 -2.26 120.40 126.20 2kcz s VAL 105 Ca 0.10 0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.30 2kcz s VAL 105 Cb -0.17 -3.37 -0.03 0.00 -1.53 0.00 0.00 36.38 31.27 2kcz s VAL 105 CO 0.12 0.29 -0.22 0.68 -3.33 0.00 0.00 175.10 172.64 2kcz s VAL 106 N 1.63 1.80 -0.32 2.04 -7.23 -0.74 -1.88 120.40 115.70 2kcz s VAL 106 Ca 0.07 -1.40 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 2kcz s VAL 106 Cb -0.15 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2kcz s VAL 106 CO 0.08 0.12 0.21 -0.13 -0.31 0.00 0.00 175.10 175.08 2kcz s ARG 107 N -1.53 3.62 -0.21 4.82 3.00 -0.54 -2.87 118.95 125.24 2kcz s ARG 107 Ca 0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 55.73 55.23 2kcz s ARG 107 Cb -0.09 -3.73 -0.01 0.00 0.00 0.00 0.00 34.95 31.12 2kcz s ARG 107 CO 0.03 -0.36 -0.07 -1.17 0.00 0.00 0.00 175.30 173.74 2kcz s LEU 108 N 1.72 2.79 -0.13 2.53 0.20 0.12 -3.65 118.68 122.27 2kcz s LEU 108 Ca 0.06 -0.42 -0.02 0.00 0.69 0.00 0.00 54.13 54.44 2kcz s LEU 108 Cb -0.17 -1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 2kcz s LEU 108 CO 0.10 -0.01 -0.05 -0.89 -0.29 0.00 0.00 176.35 175.21 2kcz s THR 109 N 1.39 3.80 0.31 3.68 2.01 -1.24 -0.47 115.64 125.11 2kcz s THR 109 Ca 0.05 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.68 2kcz s THR 109 Cb -0.14 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 2kcz s THR 109 CO -0.04 0.53 0.47 -0.31 -0.69 0.00 0.00 174.62 174.58 2kcz s TYR 110 N -0.02 3.36 0.09 4.92 2.02 -0.94 -4.66 117.35 122.12 2kcz s TYR 110 Ca 0.00 0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.80 2kcz s TYR 110 Cb -0.13 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 2kcz s TYR 110 CO 0.03 0.17 -0.09 -0.98 -1.57 0.00 0.00 175.55 173.10 2kcz s ARG 111 N -4.18 0.78 0.66 -0.62 1.70 -1.26 -4.74 118.95 111.29 2kcz s ARG 111 Ca 0.40 -1.10 -0.16 0.00 -0.47 0.00 0.00 55.73 54.39 2kcz s ARG 111 Cb -0.09 -0.45 0.00 0.00 -0.57 0.00 0.00 34.95 33.84 2kcz s ARG 111 CO 0.32 0.07 1.18 -1.25 -1.08 0.00 0.00 175.30 174.54 2kcz s PRO 112 N -2.67 2.62 -0.42 3.89 0.04 -1.26 -4.82 135.00 132.37 2kcz s PRO 112 Ca 0.03 1.68 -0.28 0.00 0.04 0.00 0.00 61.00 62.47 2kcz s PRO 112 Cb -0.03 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 2kcz s PRO 112 CO -0.01 -1.45 1.64 -1.25 0.04 0.00 0.00 177.00 175.98 2kcz s PRO 113 N -3.75 3.31 -0.27 0.56 0.04 -1.26 -4.83 135.00 128.80 2kcz s PRO 113 Ca 0.73 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.84 2kcz s PRO 113 Cb -0.27 -4.16 0.08 0.00 0.04 0.00 0.00 34.50 30.19 2kcz s PRO 113 CO 0.40 -1.89 0.02 0.20 0.04 0.00 0.00 177.00 175.77 2kcz s GLY 114 N 5.51 1.28 0.00 0.56 0.00 -1.24 -4.76 107.32 108.68 2kcz s GLY 114 Ca 0.69 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.80 2kcz s GLY 114 CO 0.31 1.20 0.00 0.61 0.00 0.00 0.00 173.10 175.22 2kcz n GLY 115 N 4.69 -1.80 0.14 0.20 0.00 -1.26 -3.38 105.19 103.78 2kcz n GLY 115 Ca -0.05 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 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 0.58 0.60 1.61 0.87 -1.98 -2.38 113.55 112.85 2kcz h SER 116 Ca 0.00 -0.93 -0.14 0.00 -1.23 0.00 0.00 61.79 59.49 2kcz h SER 116 Cb 0.00 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 2kcz h SER 116 CO 0.00 1.78 -0.65 0.00 -0.53 0.00 0.00 176.83 177.43 2kcz h ALA 117 N 0.09 0.90 0.00 6.23 0.00 -2.03 -2.98 119.26 121.46 2kcz h ALA 117 Ca -0.35 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.97 2kcz h ALA 117 Cb 2.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2kcz h ALA 117 CO 0.16 0.81 -0.16 0.78 0.00 0.00 0.00 179.25 180.84 2kcz h GLY 118 N 1.88 0.00 2.00 0.00 0.00 -1.66 -3.31 103.07 101.97 2kcz h GLY 118 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 2kcz h GLY 118 CO 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.40 2kcz h ALA 119 N 2.01 0.86 0.00 3.60 0.00 -1.26 -3.28 119.26 121.18 2kcz h ALA 119 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2kcz h ALA 119 Cb 1.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2kcz h ALA 119 CO 0.00 0.29 -0.18 -0.24 0.00 0.00 0.00 179.25 179.12 2kcz h VAL 120 N 0.00 0.83 0.00 0.00 3.04 -1.65 -2.26 116.25 116.22 2kcz h VAL 120 Ca -0.00 -0.67 -0.06 0.00 -1.01 0.00 0.00 66.70 64.96 2kcz h VAL 120 Cb 1.15 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 31.82 2kcz h VAL 120 CO 0.03 0.17 -0.27 -0.29 -1.01 0.00 0.00 177.57 176.21 2kcz h ILE 121 N 0.00 1.17 0.00 3.17 6.09 -1.80 0.08 117.51 126.22 2kcz h ILE 121 Ca -0.00 -0.92 -0.05 0.00 -1.37 0.00 0.00 64.86 62.52 2kcz h ILE 121 Cb 0.38 1.50 -0.01 0.00 0.47 0.00 0.00 36.82 39.17 2kcz h ILE 121 CO 0.02 0.26 -0.22 0.00 -3.07 0.00 0.00 178.15 175.14 2kcz h ALA 122 N 1.73 0.95 0.00 0.18 0.00 -1.59 0.21 119.26 120.74 2kcz h ALA 122 Ca -0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 2kcz h ALA 122 Cb 0.48 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2kcz h ALA 122 CO 0.03 0.28 -1.60 -0.09 0.00 0.00 0.00 179.25 177.87 2kcz h ARG 123 N 0.00 0.00 0.16 0.00 1.12 -1.38 -3.10 114.38 111.19 2kcz h ARG 123 Ca -0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 2kcz h ARG 123 Cb 0.87 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.83 2kcz h ARG 123 CO 0.03 0.49 -0.08 1.98 -3.11 0.00 0.00 179.97 179.28 2kcz h MET 124 N 0.00 -0.20 -3.34 0.20 4.05 -0.72 -3.42 114.93 111.49 2kcz h MET 124 Ca -0.24 0.01 -0.53 0.00 -0.28 0.00 0.00 59.70 58.66 2kcz h MET 124 Cb 1.92 0.05 -0.40 0.00 -0.80 0.00 0.00 31.60 32.37 2kcz h MET 124 CO 0.08 0.23 -0.76 -0.06 0.23 0.00 0.00 176.91 176.62 2kcz s PHE 125 N -3.77 0.97 -1.36 1.39 0.08 0.70 -5.05 117.98 110.93 2kcz s PHE 125 Ca -0.14 -1.03 -0.13 0.00 0.12 0.00 0.00 56.93 55.75 2kcz s PHE 125 Cb 0.01 -1.14 0.09 0.00 -0.57 0.00 0.00 43.02 41.41 2kcz s PHE 125 CO 0.53 -0.71 1.98 -1.71 -0.10 0.00 0.00 175.22 175.20 2kcz n ASN 126 N 5.06 4.51 0.00 1.36 2.85 -1.17 -4.28 115.26 123.59 2kcz n ASN 126 Ca -0.06 -2.94 0.00 0.00 -0.11 0.00 0.00 54.58 51.47 2kcz n ASN 126 Cb 0.45 -1.62 0.00 0.00 1.24 0.00 0.00 39.78 39.85 2kcz n ASN 126 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 2kcz n GLN 127 N 5.90 0.00 -3.02 1.20 7.27 -1.26 -4.62 117.38 122.85 2kcz n GLN 127 Ca 0.47 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.53 2kcz n GLN 127 Cb 0.40 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.05 2kcz n GLN 127 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2kcz n GLU 128 N 0.00 -1.49 -2.18 3.69 4.07 -1.26 -4.77 120.64 118.70 2kcz n GLU 128 Ca 0.00 1.60 -0.41 0.00 -0.06 0.00 0.00 57.16 58.29 2kcz n GLU 128 Cb 0.00 -5.74 0.00 0.00 -0.06 0.00 0.00 31.44 25.64 2kcz n GLU 128 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2kcz n PRO 129 N -1.53 4.47 -1.05 5.31 -0.04 -1.26 -4.62 135.00 136.28 2kcz n PRO 129 Ca 0.02 -3.65 -0.11 0.00 -0.04 0.00 0.00 63.50 59.72 2kcz n PRO 129 Cb 0.49 -2.67 0.16 0.00 -0.04 0.00 0.00 33.50 31.45 2kcz n PRO 129 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kcz n SER 130 N 1.98 3.30 -0.35 3.54 7.64 -1.26 -5.08 113.62 123.39 2kcz n SER 130 Ca 0.54 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.64 2kcz n SER 130 Cb 0.28 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2kcz n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kcz n GLN 131 N -1.06 0.00 -1.81 1.43 1.13 -1.26 -4.74 117.38 111.07 2kcz n GLN 131 Ca 0.39 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 55.03 2kcz n GLN 131 Cb 1.03 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 31.36 2kcz n GLN 131 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2kcz s GLN 132 N 0.00 4.14 -0.26 -1.09 -2.07 -1.26 -4.89 119.66 114.24 2kcz s GLN 132 Ca 0.00 2.54 0.03 0.00 -1.82 0.00 0.00 55.36 56.11 2kcz s GLN 132 Cb 0.00 -3.05 0.41 0.00 -1.09 0.00 0.00 33.01 29.28 2kcz s GLN 132 CO 0.00 -0.62 1.52 1.28 -1.32 0.00 0.00 175.29 176.15 2kcz n LEU 133 N 2.45 5.10 -0.32 2.60 4.32 -1.26 -4.58 117.00 125.31 2kcz n LEU 133 Ca 0.09 -2.68 0.08 0.00 -0.02 0.00 0.00 56.01 53.49 2kcz n LEU 133 Cb 0.38 -0.69 0.29 0.00 -1.62 0.00 0.00 43.42 41.77 2kcz n LEU 133 CO 0.63 0.79 1.23 0.08 -1.22 0.00 0.00 177.39 178.91 2kcz h ARG 134 N 0.77 0.87 -0.20 3.23 0.11 -1.96 0.54 114.38 117.73 2kcz h ARG 134 Ca 0.34 -0.05 -0.18 0.00 0.10 0.00 0.00 59.98 60.19 2kcz h ARG 134 Cb 2.05 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 32.93 2kcz h ARG 134 CO 0.62 0.57 -0.60 0.38 0.10 0.00 0.00 179.97 181.04 2kcz h ASP 135 N 0.89 0.75 0.07 0.08 2.03 -2.00 0.73 116.42 118.98 2kcz h ASP 135 Ca 0.46 -0.43 -0.23 0.00 -0.73 0.00 0.00 57.03 56.10 2kcz h ASP 135 Cb 0.52 -0.22 0.01 0.00 -0.83 0.00 0.00 39.33 38.81 2kcz h ASP 135 CO -0.22 1.18 -0.90 -0.78 -1.03 0.00 0.00 179.24 177.48 2kcz h ASP 136 N 0.50 0.78 0.51 4.15 3.58 -1.66 -3.02 116.42 121.26 2kcz h ASP 136 Ca -0.00 -0.57 -0.03 0.00 0.42 0.00 0.00 57.03 56.84 2kcz h ASP 136 Cb 1.18 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 2kcz h ASP 136 CO 0.12 1.36 -0.14 0.25 -2.88 0.00 0.00 179.24 177.95 2kcz h LEU 137 N 0.39 0.00 -1.76 2.28 5.85 0.12 -1.29 115.31 120.90 2kcz h LEU 137 Ca -0.08 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2kcz h LEU 137 Cb 1.53 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 2kcz h LEU 137 CO 0.17 0.14 -0.13 -0.03 -0.34 0.00 0.00 178.44 178.26 2kcz h MET 138 N 0.00 0.00 -0.29 1.25 4.05 -0.71 0.51 114.93 119.74 2kcz h MET 138 Ca -0.00 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 2kcz h MET 138 Cb 0.44 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 2kcz h MET 138 CO 0.02 0.13 -0.20 0.00 0.23 0.00 0.00 176.91 177.09 2kcz h ARG 139 N 0.00 0.64 -0.77 0.39 3.08 -1.29 -2.48 114.38 113.96 2kcz h ARG 139 Ca -0.00 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 2kcz h ARG 139 Cb 0.23 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 2kcz h ARG 139 CO 0.02 0.90 0.46 0.35 -1.07 0.00 0.00 179.97 180.63 2kcz h PHE 140 N 0.39 1.00 -0.87 3.04 3.57 -1.34 -1.69 116.94 121.04 2kcz h PHE 140 Ca 0.06 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.68 2kcz h PHE 140 Cb 0.74 -0.33 -0.09 0.00 2.79 0.00 0.00 35.95 39.07 2kcz h PHE 140 CO 0.07 0.67 0.49 -0.22 -2.23 0.00 0.00 178.31 177.09 2kcz h LYS 141 N 1.06 0.73 -0.11 1.11 3.11 -0.65 0.94 116.57 122.75 2kcz h LYS 141 Ca 0.28 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 58.03 2kcz h LYS 141 Cb -0.05 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.01 2kcz h LYS 141 CO -0.05 0.48 -0.11 0.00 -2.81 0.00 0.00 179.45 176.96 2kcz h ARG 142 N 0.75 0.16 0.00 1.90 3.08 -0.86 -1.88 114.38 117.54 2kcz h ARG 142 Ca 0.45 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.31 2kcz h ARG 142 Cb 0.53 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2kcz h ARG 142 CO -0.30 0.29 -0.76 0.93 -1.07 0.00 0.00 179.97 179.05 2kcz h GLU 143 N 0.16 0.00 -0.37 0.04 5.08 -0.68 -2.91 114.58 115.90 2kcz h GLU 143 Ca 0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 2kcz h GLU 143 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2kcz h GLU 143 CO 0.02 0.76 -0.35 1.96 -1.00 0.00 0.00 179.01 180.39 2kcz h GLN 144 N 0.00 0.89 0.00 2.33 4.20 -0.23 0.12 115.11 122.42 2kcz h GLN 144 Ca -0.01 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2kcz h GLN 144 Cb 1.54 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.34 2kcz h GLN 144 CO 0.10 1.12 0.00 -0.85 -0.67 0.00 0.00 178.83 178.52 2kcz n GLU 145 N -4.11 0.19 -0.06 1.46 0.28 -0.94 -3.95 120.64 113.51 2kcz n GLU 145 Ca -0.02 0.21 -0.04 0.00 -0.16 0.00 0.00 57.16 57.14 2kcz n GLU 145 Cb 0.53 -1.74 -0.01 0.00 1.43 0.00 0.00 31.44 31.64 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 -2.08 1.53 -1.35 -1.84 7.94 -1.05 -5.06 117.00 115.09 2kcz n LEU 146 Ca 0.05 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.50 2kcz n LEU 146 Cb 0.37 -0.80 0.00 0.00 0.53 0.00 0.00 43.42 43.52 2kcz n LEU 146 CO 0.27 -0.47 -0.14 0.61 -1.11 0.00 0.00 177.39 176.56 2kcz n GLY 147 N 1.62 -3.71 3.04 -3.96 0.00 0.38 -4.93 105.19 97.63 2kcz n GLY 147 Ca -0.06 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 2kcz n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kcz s LEU 148 N -0.17 0.84 0.47 0.99 0.20 -1.26 -4.92 118.68 114.83 2kcz s LEU 148 Ca 0.00 0.42 0.02 0.00 0.69 0.00 0.00 54.13 55.27 2kcz s LEU 148 Cb 0.00 0.63 -0.02 0.00 -0.43 0.00 0.00 46.19 46.36 2kcz s LEU 148 CO 0.00 -0.12 0.03 -1.83 -0.29 0.00 0.00 176.35 174.14 2kcz s GLU 149 N 0.74 2.09 -0.08 1.98 4.04 -1.26 -4.61 118.70 121.61 2kcz s GLU 149 Ca -0.05 -2.30 -0.01 0.00 0.04 0.00 0.00 54.97 52.65 2kcz s GLU 149 Cb -0.07 -1.31 -0.05 0.00 0.02 0.00 0.00 34.13 32.72 2kcz s GLU 149 CO -0.04 -0.35 -0.08 1.58 -1.84 0.00 0.00 175.26 174.54 2kcz n HIS 150 N -1.13 0.00 -3.58 4.83 -0.00 -1.26 -5.09 115.22 108.99 2kcz n HIS 150 Ca -0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.48 2kcz n HIS 150 Cb 0.67 -0.29 -0.05 0.00 -0.00 0.00 0.00 29.99 30.32 2kcz n HIS 150 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kcz s HIS 151 N -2.15 -0.34 -0.19 1.57 -3.43 -1.26 -5.18 115.29 104.31 2kcz s HIS 151 Ca -0.10 0.58 -0.14 0.00 -0.80 0.00 0.00 55.06 54.60 2kcz s HIS 151 Cb 0.03 0.45 0.06 0.00 -1.43 0.00 0.00 32.58 31.69 2kcz s HIS 151 CO 0.17 -0.32 0.50 -3.38 -2.00 0.00 0.00 174.74 169.71 2kcz s HIS 152 N -1.11 -0.64 0.59 0.38 -3.43 -1.26 -5.17 115.29 104.65 2kcz s HIS 152 Ca -0.01 1.44 -0.04 0.00 -0.80 0.00 0.00 55.06 55.65 2kcz s HIS 152 Cb -0.00 0.28 0.02 0.00 -1.43 0.00 0.00 32.58 31.44 2kcz s HIS 152 CO 0.01 -0.33 0.88 -1.01 -2.00 0.00 0.00 174.74 172.29 2kcz s HIS 153 N 0.85 3.14 0.34 0.38 3.76 -1.26 -5.11 115.29 117.40 2kcz s HIS 153 Ca -0.05 0.48 0.03 0.00 -0.15 0.00 0.00 55.06 55.38 2kcz s HIS 153 Cb -0.05 -2.77 0.06 0.00 1.11 0.00 0.00 32.58 30.93 2kcz s HIS 153 CO -0.07 -0.88 0.47 -2.39 -0.85 0.00 0.00 174.74 171.03 2kcz n HIS 154 N -2.55 -2.80 0.60 1.40 1.44 -1.26 -5.28 115.22 106.77 2kcz n HIS 154 Ca 0.05 -1.08 0.07 0.00 -2.01 0.00 0.00 57.72 54.75 2kcz n HIS 154 Cb 0.58 -0.33 0.06 0.00 0.12 0.00 0.00 29.99 30.42 2kcz n HIS 154 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25