#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 0.35 3.50 3.03 0.00 -1.26 -5.11 105.19 105.70 2kcz n GLY 2 Ca 0.00 0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 0.28 3.25 -0.14 1.61 2.02 -1.26 -4.83 118.70 119.63 2kcz s GLU 3 Ca 0.23 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.73 2kcz s GLU 3 Cb 0.29 -4.03 0.02 0.00 0.10 0.00 0.00 34.13 30.50 2kcz s GLU 3 CO -0.08 -1.25 -0.14 0.99 0.02 0.00 0.00 175.26 174.79 2kcz s THR 4 N 3.17 1.57 -0.11 3.63 2.01 -1.26 -5.11 115.64 119.54 2kcz s THR 4 Ca 0.23 -0.64 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 2kcz s THR 4 Cb -0.15 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 2kcz s THR 4 CO 0.17 0.46 0.39 -0.69 -0.69 0.00 0.00 174.62 174.25 2kcz s VAL 5 N 1.42 5.21 -0.34 3.82 1.01 -1.26 -4.59 120.40 125.66 2kcz s VAL 5 Ca 0.03 0.76 -0.28 0.00 0.00 0.00 0.00 61.98 62.49 2kcz s VAL 5 Cb -0.13 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2kcz s VAL 5 CO -0.09 0.41 1.05 -0.69 0.00 0.00 0.00 175.10 175.78 2kcz s VAL 6 N 0.17 4.50 -0.38 2.92 1.01 -1.23 -4.97 120.40 122.42 2kcz s VAL 6 Ca 0.22 1.60 -0.09 0.00 0.00 0.00 0.00 61.98 63.71 2kcz s VAL 6 Cb -0.15 -4.41 0.05 0.00 0.00 0.00 0.00 36.38 31.87 2kcz s VAL 6 CO 0.08 -0.53 0.19 -0.13 0.00 0.00 0.00 175.10 174.71 2kcz s ARG 7 N 3.69 2.66 0.28 2.72 3.00 -1.26 -3.26 118.95 126.77 2kcz s ARG 7 Ca 0.44 -1.26 -0.06 0.00 0.00 0.00 0.00 55.73 54.85 2kcz s ARG 7 Cb -0.12 -3.65 -0.01 0.00 0.00 0.00 0.00 34.95 31.17 2kcz s ARG 7 CO 0.17 -0.78 0.41 0.34 0.00 0.00 0.00 175.30 175.44 2kcz s ASP 8 N 1.70 0.35 0.04 0.23 -1.08 -1.15 -5.03 116.67 111.74 2kcz s ASP 8 Ca 0.01 -1.24 0.00 0.00 -0.52 0.00 0.00 52.55 50.81 2kcz s ASP 8 Cb -0.21 0.58 -0.03 0.00 -1.46 0.00 0.00 42.92 41.80 2kcz s ASP 8 CO 0.04 -1.14 -0.05 0.00 0.52 0.00 0.00 175.17 174.54 2kcz s ALA 9 N -3.67 0.45 -0.00 3.66 0.00 -1.26 -1.75 121.76 119.19 2kcz s ALA 9 Ca 0.29 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.36 2kcz s ALA 9 Cb 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 2kcz s ALA 9 CO 0.14 -0.20 -0.10 0.14 0.00 0.00 0.00 175.76 175.74 2kcz s VAL 10 N -2.47 0.78 -0.27 0.00 -7.23 -1.14 -4.99 120.40 105.09 2kcz s VAL 10 Ca -0.04 -0.50 -0.08 0.00 -1.81 0.00 0.00 61.98 59.55 2kcz s VAL 10 Cb -0.03 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.23 2kcz s VAL 10 CO -0.04 0.16 0.08 -0.89 -0.31 0.00 0.00 175.10 174.11 2kcz s THR 11 N -0.34 4.27 0.01 5.32 2.01 -1.26 -1.46 115.64 124.19 2kcz s THR 11 Ca 0.03 -0.32 0.07 0.00 0.31 0.00 0.00 61.69 61.78 2kcz s THR 11 Cb -0.04 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 2kcz s THR 11 CO -0.00 0.25 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.33 2kcz s ILE 12 N 1.59 1.76 -0.34 1.82 1.09 -0.26 -4.92 121.20 121.94 2kcz s ILE 12 Ca 0.05 -1.07 -0.07 0.00 -1.10 0.00 0.00 60.65 58.47 2kcz s ILE 12 Cb -0.16 -1.49 -0.23 0.00 -1.06 0.00 0.00 42.46 39.53 2kcz s ILE 12 CO 0.04 0.39 3.48 0.61 -0.10 0.00 0.00 174.94 179.36 2kcz n GLY 13 N 2.25 3.28 3.10 6.18 0.00 -1.26 -0.67 105.19 118.08 2kcz n GLY 13 Ca -0.16 -1.28 -0.19 0.00 0.00 0.00 0.00 46.02 44.38 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 1.17 0.87 0.09 1.61 1.02 -1.26 -4.96 119.74 118.28 2kcz s LYS 14 Ca 0.67 -0.63 -0.34 0.00 0.02 0.00 0.00 55.97 55.69 2kcz s LYS 14 Cb 0.29 -0.84 -0.15 0.00 -0.52 0.00 0.00 37.83 36.61 2kcz s LYS 14 CO -0.02 0.21 1.58 -1.35 -0.92 0.00 0.00 175.35 174.85 2kcz h PRO 15 N 5.20 -0.86 0.00 -1.68 0.11 -1.98 -3.37 132.00 129.42 2kcz h PRO 15 Ca -0.36 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2kcz h PRO 15 Cb 1.18 0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2kcz h PRO 15 CO 0.45 -0.58 0.00 0.00 -0.21 0.00 0.00 178.00 177.67 2kcz n ALA 16 N -2.79 0.00 -0.16 -0.75 0.00 -1.26 -4.83 120.51 110.72 2kcz n ALA 16 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 2kcz n ALA 16 Cb 0.43 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.93 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 0.46 0.00 0.00 4.81 -1.96 -0.49 114.58 117.39 2kcz h GLU 17 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2kcz h GLU 17 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2kcz h GLU 17 CO 0.00 0.30 0.00 1.04 -0.73 0.00 0.00 179.01 179.62 2kcz n GLN 18 N -4.90 0.05 0.20 1.92 3.00 -1.26 -2.15 117.38 114.24 2kcz n GLN 18 Ca 0.04 0.25 0.11 0.00 -0.01 0.00 0.00 57.00 57.39 2kcz n GLN 18 Cb 0.14 -1.50 0.14 0.00 0.00 0.00 0.00 30.24 29.02 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 0.00 0.00 -0.93 1.08 3.38 -1.45 -2.97 115.31 114.42 2kcz h LEU 19 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2kcz h LEU 19 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2kcz h LEU 19 CO 0.00 0.06 -0.51 1.88 0.09 0.00 0.00 178.44 179.95 2kcz h TYR 20 N 0.00 0.00 0.00 1.13 0.05 -1.51 -3.09 116.97 113.55 2kcz h TYR 20 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2kcz h TYR 20 Cb 1.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.78 2kcz h TYR 20 CO 0.00 0.51 0.00 0.00 -1.05 0.00 0.00 178.16 177.62 2kcz n ALA 21 N -2.42 1.99 0.30 3.88 0.00 -1.12 -3.06 120.51 120.09 2kcz n ALA 21 Ca -0.01 -0.09 0.16 0.00 0.00 0.00 0.00 53.44 53.50 2kcz n ALA 21 Cb 0.54 -1.29 0.96 0.00 0.00 0.00 0.00 19.45 19.67 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 0.43 -0.73 0.00 3.04 -1.68 -1.75 116.25 115.56 2kcz h VAL 22 Ca 0.00 -0.04 0.08 0.00 -1.01 0.00 0.00 66.70 65.73 2kcz h VAL 22 Cb 0.14 1.03 -0.06 0.00 -2.01 0.00 0.00 31.29 30.38 2kcz h VAL 22 CO 0.00 0.01 0.40 -0.50 -1.01 0.00 0.00 177.57 176.47 2kcz h TRP 23 N 0.00 0.73 0.00 3.17 4.06 -1.82 -3.40 115.95 118.69 2kcz h TRP 23 Ca -0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2kcz h TRP 23 Cb 0.03 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 27.97 2kcz h TRP 23 CO 0.00 0.31 0.00 -2.13 -3.56 0.00 0.00 178.44 173.06 2kcz n ARG 24 N -4.79 0.00 0.00 0.49 0.63 -1.08 -5.00 116.66 106.91 2kcz n ARG 24 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2kcz n ARG 24 Cb 0.23 -0.14 0.00 0.00 0.45 0.00 0.00 32.46 33.00 2kcz n ARG 24 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2kcz n ASP 25 N -1.81 0.00 -3.23 6.15 2.03 -1.21 -5.06 116.55 113.43 2kcz n ASP 25 Ca 0.00 -1.00 -0.11 0.00 0.52 0.00 0.00 54.79 54.20 2kcz n ASP 25 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 2kcz n ASP 25 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kcz n LEU 26 N 0.00 -5.76 -4.95 -2.67 4.77 -0.68 -4.59 117.00 103.12 2kcz n LEU 26 Ca 0.00 -0.50 -0.24 0.00 -0.03 0.00 0.00 56.01 55.24 2kcz n LEU 26 Cb 0.32 -3.15 -0.02 0.00 -2.33 0.00 0.00 43.42 38.25 2kcz n LEU 26 CO 0.00 -0.32 0.09 -2.16 -1.33 0.00 0.00 177.39 173.68 2kcz s PRO 27 N -4.02 3.48 -0.72 3.23 0.04 -1.23 -2.59 135.00 133.21 2kcz s PRO 27 Ca 0.28 -0.43 -0.06 0.00 0.04 0.00 0.00 61.00 60.83 2kcz s PRO 27 Cb -0.05 -2.75 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 2kcz s PRO 27 CO 0.76 0.27 2.90 0.41 0.04 0.00 0.00 177.00 181.37 2kcz n GLY 28 N -1.46 4.25 2.97 0.56 0.00 -1.26 -4.74 105.19 105.51 2kcz n GLY 28 Ca -0.06 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 2kcz n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kcz s LEU 29 N -1.38 5.03 0.18 0.99 2.01 -1.26 -4.85 118.68 119.40 2kcz s LEU 29 Ca 0.61 -3.74 0.26 0.00 0.01 0.00 0.00 54.13 51.27 2kcz s LEU 29 Cb 0.29 -1.73 0.89 0.00 0.01 0.00 0.00 46.19 45.66 2kcz s LEU 29 CO -0.12 -0.13 1.79 -2.65 1.01 0.00 0.00 176.35 176.25 2kcz n PRO 30 N 2.18 0.21 -0.36 1.29 -0.02 -1.26 -3.81 135.00 133.23 2kcz n PRO 30 Ca 0.19 0.19 0.09 0.00 -2.02 0.00 0.00 63.50 61.96 2kcz n PRO 30 Cb 0.35 -1.76 0.27 0.00 -0.02 0.00 0.00 33.50 32.35 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 -2.13 3.43 0.05 2.45 4.32 -1.26 -4.23 117.00 119.63 2kcz n LEU 31 Ca 0.06 -1.72 0.11 0.00 -0.02 0.00 0.00 56.01 54.43 2kcz n LEU 31 Cb 0.40 -0.43 0.44 0.00 -1.62 0.00 0.00 43.42 42.20 2kcz n LEU 31 CO 0.29 0.77 0.84 0.00 -1.22 0.00 0.00 177.39 178.07 2kcz n LEU 32 N 1.17 0.32 -0.33 2.23 -0.00 -1.25 -2.70 117.00 116.43 2kcz n LEU 32 Ca 0.20 0.56 0.07 0.00 -0.00 0.00 0.00 56.01 56.85 2kcz n LEU 32 Cb 0.57 -0.49 -0.00 0.00 -0.00 0.00 0.00 43.42 43.49 2kcz n LEU 32 CO 0.15 -0.28 0.25 0.80 -0.00 0.00 0.00 177.39 178.31 2kcz n MET 33 N -1.84 1.75 0.00 1.47 1.56 -1.26 -4.24 117.12 114.57 2kcz n MET 33 Ca 0.04 -0.76 0.00 0.00 -0.27 0.00 0.00 57.70 56.72 2kcz n MET 33 Cb 0.26 -1.24 0.00 0.00 2.15 0.00 0.00 33.22 34.39 2kcz n MET 33 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2kcz n THR 34 N -0.17 0.00 -3.06 1.12 -2.24 -1.10 -4.81 114.28 104.01 2kcz n THR 34 Ca 0.06 0.42 0.04 0.00 -2.27 0.00 0.00 64.05 62.30 2kcz n THR 34 Cb 0.31 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 2kcz n THR 34 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2kcz s HIS 35 N -0.85 -0.87 0.00 4.78 2.46 -1.26 -4.99 115.29 114.57 2kcz s HIS 35 Ca 0.00 0.37 0.00 0.00 0.47 0.00 0.00 55.06 55.90 2kcz s HIS 35 Cb 0.00 0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.60 2kcz s HIS 35 CO 0.00 -0.53 0.00 1.47 -2.47 0.00 0.00 174.74 173.21 2kcz n LEU 36 N 4.72 0.00 0.00 8.88 -0.00 -1.26 -5.04 117.00 124.30 2kcz n LEU 36 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 2kcz n LEU 36 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 2kcz n LEU 36 CO -0.11 0.00 0.00 0.54 -0.00 0.00 0.00 177.39 177.82 2kcz n ARG 37 N -0.28 -1.04 -2.71 1.47 1.74 -1.26 -4.92 116.66 109.66 2kcz n ARG 37 Ca 0.00 0.26 -0.42 0.00 -0.77 0.00 0.00 57.85 56.92 2kcz n ARG 37 Cb 0.00 -4.11 -0.03 0.00 -1.02 0.00 0.00 32.46 27.31 2kcz n ARG 37 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2kcz s SER 38 N -2.04 6.52 -0.06 0.55 0.01 -1.26 -4.92 113.70 112.50 2kcz s SER 38 Ca 0.00 -1.62 -0.31 0.00 1.31 0.00 0.00 55.95 55.34 2kcz s SER 38 Cb 0.00 -2.50 0.07 0.00 0.21 0.00 0.00 66.02 63.80 2kcz s SER 38 CO 0.00 -1.35 0.68 0.54 0.41 0.00 0.00 173.24 173.52 2kcz s VAL 39 N 4.10 0.00 0.00 3.43 0.11 -1.26 -4.90 120.40 121.87 2kcz s VAL 39 Ca 0.40 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 2kcz s VAL 39 Cb -0.03 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 2kcz s VAL 39 CO -0.08 -0.00 0.00 1.21 -3.33 0.00 0.00 175.10 172.90 2kcz n GLU 40 N 0.99 2.33 -1.55 1.54 2.13 -1.26 -4.86 120.64 119.96 2kcz n GLU 40 Ca -0.19 0.00 -0.54 0.00 0.66 0.00 0.00 57.16 57.09 2kcz n GLU 40 Cb 0.57 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.22 2kcz n GLU 40 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2kcz n VAL 41 N -0.30 0.19 0.09 6.31 0.31 -1.26 -4.87 118.33 118.80 2kcz n VAL 41 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2kcz n VAL 41 Cb 0.00 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 2kcz n VAL 41 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2kcz n LEU 42 N 2.05 0.38 0.00 7.52 -0.00 -1.26 -4.94 117.00 120.75 2kcz n LEU 42 Ca 0.19 0.28 0.00 0.00 -0.00 0.00 0.00 56.01 56.47 2kcz n LEU 42 Cb 0.16 0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 2kcz n LEU 42 CO 0.61 -0.74 0.00 0.47 -0.00 0.00 0.00 177.39 177.74 2kcz n ASP 43 N -3.35 0.00 -0.30 1.96 9.92 -1.22 -4.66 116.55 118.89 2kcz n ASP 43 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 2kcz n ASP 43 Cb 0.00 0.00 0.29 0.00 -0.64 0.00 0.00 41.12 40.77 2kcz n ASP 43 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2kcz h ASP 44 N 0.00 0.27 -2.14 -2.24 3.58 -1.95 -2.02 116.42 111.92 2kcz h ASP 44 Ca 0.00 0.16 -0.56 0.00 0.42 0.00 0.00 57.03 57.05 2kcz h ASP 44 Cb 0.00 0.15 -0.41 0.00 1.72 0.00 0.00 39.33 40.79 2kcz h ASP 44 CO 0.00 -0.02 -0.79 0.29 -2.88 0.00 0.00 179.24 175.85 2kcz n LYS 45 N -5.07 2.69 -0.46 0.28 4.76 -1.26 -4.58 118.16 114.53 2kcz n LYS 45 Ca 0.21 -4.47 0.04 0.00 -2.87 0.00 0.00 58.31 51.23 2kcz n LYS 45 Cb 0.64 -2.10 -0.02 0.00 -1.84 0.00 0.00 35.03 31.71 2kcz n LYS 45 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2kcz n ARG 46 N -0.14 -1.09 -0.85 1.97 3.00 -0.76 -4.75 116.66 114.04 2kcz n ARG 46 Ca 0.30 0.88 -0.06 0.00 -0.01 0.00 0.00 57.85 58.96 2kcz n ARG 46 Cb 0.48 -1.22 0.21 0.00 0.00 0.00 0.00 32.46 31.93 2kcz n ARG 46 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2kcz n SER 47 N -2.53 2.96 -1.75 0.55 7.64 -1.26 -3.45 113.62 115.78 2kcz n SER 47 Ca -0.02 -3.64 -0.08 0.00 1.01 0.00 0.00 58.87 56.14 2kcz n SER 47 Cb 0.20 -0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 2kcz n SER 47 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2kcz n ARG 48 N -1.01 1.46 -2.54 1.43 0.63 -1.26 -4.74 116.66 110.63 2kcz n ARG 48 Ca 0.37 -0.67 -0.02 0.00 -0.92 0.00 0.00 57.85 56.60 2kcz n ARG 48 Cb 1.15 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 32.65 2kcz n ARG 48 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 2kcz n TRP 49 N 1.44 -3.13 -0.47 -0.14 -0.00 -1.26 -4.81 117.44 109.06 2kcz n TRP 49 Ca 0.18 1.34 0.00 0.00 -0.00 0.00 0.00 57.50 59.03 2kcz n TRP 49 Cb 0.61 -3.59 0.00 0.00 -0.00 0.00 0.00 31.31 28.32 2kcz n TRP 49 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 2kcz n THR 50 N 0.23 -1.54 -2.73 5.87 -1.04 -1.26 -4.65 114.28 109.16 2kcz n THR 50 Ca 0.04 0.57 -0.42 0.00 -2.04 0.00 0.00 64.05 62.19 2kcz n THR 50 Cb 0.14 -0.85 -0.02 0.00 -1.82 0.00 0.00 70.33 67.78 2kcz n THR 50 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2kcz s VAL 51 N -3.50 4.33 0.00 12.58 -7.23 -1.26 -3.81 120.40 121.51 2kcz s VAL 51 Ca 0.00 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2kcz s VAL 51 Cb 0.00 -4.95 0.00 0.00 0.56 0.00 0.00 36.38 31.99 2kcz s VAL 51 CO 0.00 -1.75 0.00 1.21 -0.31 0.00 0.00 175.10 174.25 2kcz n GLU 52 N 7.71 0.00 -1.83 4.82 2.13 -1.26 -4.63 120.64 127.58 2kcz n GLU 52 Ca 0.31 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.76 2kcz n GLU 52 Cb 0.49 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.26 2kcz n GLU 52 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kcz s ALA 53 N -0.66 2.49 0.82 4.31 0.00 -1.25 -5.04 121.76 122.43 2kcz s ALA 53 Ca 0.00 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.08 2kcz s ALA 53 Cb 0.00 -3.53 0.15 0.00 0.00 0.00 0.00 23.12 19.74 2kcz s ALA 53 CO 0.00 -1.44 0.93 -0.35 0.00 0.00 0.00 175.76 174.90 2kcz n PRO 54 N -1.67 -0.46 -0.67 0.00 -0.04 -1.26 -5.01 135.00 125.89 2kcz n PRO 54 Ca 0.14 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 2kcz n PRO 54 Cb 0.48 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 33.15 2kcz n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kcz n ALA 55 N -3.27 -1.45 0.07 0.55 0.00 -1.26 -4.68 120.51 110.47 2kcz n ALA 55 Ca -0.15 0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 2kcz n ALA 55 Cb 0.47 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.94 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 0.45 -0.17 0.00 0.00 0.13 -2.00 -3.38 132.00 127.04 2kcz h PRO 56 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2kcz h PRO 56 Cb 0.16 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.33 2kcz h PRO 56 CO 0.00 0.16 0.00 1.47 -0.23 0.00 0.00 178.00 179.40 2kcz n LEU 57 N -5.01 0.89 0.00 1.56 -0.00 -1.26 -4.84 117.00 108.33 2kcz n LEU 57 Ca -0.09 -0.89 0.00 0.00 -0.00 0.00 0.00 56.01 55.03 2kcz n LEU 57 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 2kcz n LEU 57 CO 0.32 0.22 0.00 0.61 -0.00 0.00 0.00 177.39 178.54 2kcz n GLY 58 N -0.21 1.99 0.00 1.47 0.00 -1.26 -4.16 105.19 103.03 2kcz n GLY 58 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.09 1.18 -1.87 4.61 0.00 -1.26 -5.02 120.51 118.24 2kcz n ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kcz n ALA 59 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kcz n ALA 59 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kcz n VAL 60 N -0.50 0.00 -1.28 0.00 3.14 -1.26 -5.12 118.33 113.31 2kcz n VAL 60 Ca 0.00 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 2kcz n VAL 60 Cb 0.00 0.21 0.09 0.00 -1.06 0.00 0.00 33.84 33.08 2kcz n VAL 60 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2kcz s SER 61 N -0.17 4.53 -0.03 6.55 0.01 -1.26 -4.86 113.70 118.48 2kcz s SER 61 Ca 0.00 1.80 -0.30 0.00 1.31 0.00 0.00 55.95 58.76 2kcz s SER 61 Cb 0.00 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 2kcz s SER 61 CO 0.00 -2.01 1.38 0.26 0.41 0.00 0.00 173.24 173.28 2kcz s TRP 62 N -2.92 2.83 0.03 2.43 0.23 -1.26 -4.86 118.94 115.42 2kcz s TRP 62 Ca 0.61 0.84 -0.01 0.00 -2.03 0.00 0.00 56.10 55.51 2kcz s TRP 62 Cb -0.17 -3.63 -0.02 0.00 0.03 0.00 0.00 33.47 29.67 2kcz s TRP 62 CO 0.56 -2.33 -0.01 -2.00 0.96 0.00 0.00 176.95 174.12 2kcz s GLU 63 N 2.60 0.42 -0.32 4.98 2.56 -1.26 -4.98 118.70 122.70 2kcz s GLU 63 Ca 0.63 -0.79 -0.10 0.00 0.00 0.00 0.00 54.97 54.71 2kcz s GLU 63 Cb -0.30 0.15 0.00 0.00 2.00 0.00 0.00 34.13 35.98 2kcz s GLU 63 CO 0.25 -0.08 0.15 0.00 -0.56 0.00 0.00 175.26 175.03 2kcz s ALA 64 N -2.24 3.26 -0.06 6.30 0.00 -1.26 -1.29 121.76 126.46 2kcz s ALA 64 Ca -0.09 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 50.48 2kcz s ALA 64 Cb -0.04 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 2kcz s ALA 64 CO -0.04 -0.98 -0.21 -2.00 0.00 0.00 0.00 175.76 172.53 2kcz s GLU 65 N 1.59 2.56 -0.14 0.00 -6.30 -1.15 -2.82 118.70 112.44 2kcz s GLU 65 Ca 0.04 -0.83 -0.19 0.00 -2.50 0.00 0.00 54.97 51.49 2kcz s GLU 65 Cb -0.17 -2.25 -0.04 0.00 0.00 0.00 0.00 34.13 31.67 2kcz s GLU 65 CO 0.06 0.46 0.51 -0.51 0.02 0.00 0.00 175.26 175.79 2kcz s LEU 66 N -0.33 4.24 0.34 2.70 1.02 -1.26 -2.69 118.68 122.70 2kcz s LEU 66 Ca 0.02 0.81 0.14 0.00 0.02 0.00 0.00 54.13 55.12 2kcz s LEU 66 Cb -0.13 -2.73 0.61 0.00 0.02 0.00 0.00 46.19 43.97 2kcz s LEU 66 CO 0.02 -0.06 1.73 0.00 0.02 0.00 0.00 176.35 178.06 2kcz h THR 67 N 4.84 1.18 -3.00 5.49 1.03 -1.61 -3.43 112.91 117.41 2kcz h THR 67 Ca -0.39 -1.62 -0.18 0.00 -0.01 0.00 0.00 66.41 64.20 2kcz h THR 67 Cb 1.17 1.91 -0.29 0.00 -1.07 0.00 0.00 68.15 69.88 2kcz h THR 67 CO 0.75 0.44 -0.46 0.00 -0.01 0.00 0.00 175.52 176.25 2kcz s ALA 68 N -3.80 -0.62 -0.34 0.00 0.00 -1.18 -5.00 121.76 110.82 2kcz s ALA 68 Ca -0.01 1.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.96 2kcz s ALA 68 Cb 0.13 -0.63 0.14 0.00 0.00 0.00 0.00 23.12 22.75 2kcz s ALA 68 CO 0.72 -0.19 0.23 0.34 0.00 0.00 0.00 175.76 176.85 2kcz s ASP 69 N 1.11 2.72 0.00 0.00 -1.08 -1.26 -0.08 116.67 118.08 2kcz s ASP 69 Ca -0.08 -1.91 -0.10 0.00 -0.52 0.00 0.00 52.55 49.94 2kcz s ASP 69 Cb -0.09 -0.20 -0.05 0.00 -1.46 0.00 0.00 42.92 41.11 2kcz s ASP 69 CO -0.08 -0.32 0.32 -1.61 0.52 0.00 0.00 175.17 174.00 2kcz s GLU 70 N 1.33 3.71 -0.75 4.34 0.41 -0.14 -5.01 118.70 122.60 2kcz s GLU 70 Ca 0.16 0.14 -0.26 0.00 -0.41 0.00 0.00 54.97 54.61 2kcz s GLU 70 Cb -0.20 -3.13 -0.05 0.00 -1.78 0.00 0.00 34.13 28.97 2kcz s GLU 70 CO -0.06 0.66 2.01 -1.25 -0.49 0.00 0.00 175.26 176.13 2kcz s PRO 71 N -1.44 2.42 -1.05 0.39 0.04 -1.26 -2.90 135.00 131.20 2kcz s PRO 71 Ca 0.25 0.28 -0.03 0.00 0.04 0.00 0.00 61.00 61.54 2kcz s PRO 71 Cb -0.14 -4.75 0.00 0.00 0.04 0.00 0.00 34.50 29.65 2kcz s PRO 71 CO 0.14 -3.27 0.40 0.41 0.04 0.00 0.00 177.00 174.72 2kcz n GLY 72 N 6.36 -0.13 1.30 0.56 0.00 -1.26 -4.90 105.19 107.12 2kcz n GLY 72 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.93 0.00 -3.71 1.61 4.76 -1.14 -4.58 118.16 112.17 2kcz n LYS 73 Ca -0.08 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.25 2kcz n LYS 73 Cb 0.58 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.66 2kcz n LYS 73 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2kcz s ARG 74 N -0.96 0.38 -0.17 1.97 1.70 -1.25 -0.44 118.95 120.18 2kcz s ARG 74 Ca 0.00 0.69 0.00 0.00 -0.47 0.00 0.00 55.73 55.95 2kcz s ARG 74 Cb 0.00 0.02 0.04 0.00 -0.57 0.00 0.00 34.95 34.43 2kcz s ARG 74 CO 0.00 -0.13 -0.08 0.42 -1.08 0.00 0.00 175.30 174.42 2kcz s ILE 75 N 1.10 1.34 -0.26 4.99 1.09 0.15 -0.96 121.20 128.64 2kcz s ILE 75 Ca -0.07 -0.72 -0.07 0.00 -1.10 0.00 0.00 60.65 58.69 2kcz s ILE 75 Cb -0.07 -1.43 -0.02 0.00 -1.06 0.00 0.00 42.46 39.88 2kcz s ILE 75 CO -0.09 0.22 0.07 0.00 -0.10 0.00 0.00 174.94 175.03 2kcz s ALA 76 N 1.54 3.12 0.22 9.38 0.00 0.88 -0.34 121.76 136.56 2kcz s ALA 76 Ca 0.01 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.58 2kcz s ALA 76 Cb -0.15 -2.08 -0.08 0.00 0.00 0.00 0.00 23.12 20.81 2kcz s ALA 76 CO -0.08 -0.60 0.67 -1.58 0.00 0.00 0.00 175.76 174.17 2kcz s TRP 77 N 1.58 3.59 0.30 0.00 0.52 -0.18 -1.66 118.94 123.09 2kcz s TRP 77 Ca 0.05 1.26 -0.06 0.00 0.02 0.00 0.00 56.10 57.38 2kcz s TRP 77 Cb -0.16 -2.53 -0.00 0.00 -1.15 0.00 0.00 33.47 29.63 2kcz s TRP 77 CO 0.03 0.32 0.46 1.03 0.02 0.00 0.00 176.95 178.81 2kcz s ARG 78 N -2.14 1.75 0.01 4.98 1.81 -1.10 -4.25 118.95 120.02 2kcz s ARG 78 Ca 0.43 -1.58 0.02 0.00 -1.72 0.00 0.00 55.73 52.89 2kcz s ARG 78 Cb -0.15 0.44 -0.01 0.00 -0.45 0.00 0.00 34.95 34.78 2kcz s ARG 78 CO 0.20 -0.72 -0.07 -1.12 -0.68 0.00 0.00 175.30 172.91 2kcz s SER 79 N -3.16 0.83 0.65 0.23 0.01 -1.25 -2.93 113.70 108.08 2kcz s SER 79 Ca 0.28 -0.23 -0.16 0.00 1.31 0.00 0.00 55.95 57.15 2kcz s SER 79 Cb -0.00 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.16 2kcz s SER 79 CO 0.16 0.02 1.16 -0.76 0.41 0.00 0.00 173.24 174.22 2kcz s LEU 80 N -0.51 3.47 0.45 2.44 1.43 -0.41 -4.83 118.68 120.72 2kcz s LEU 80 Ca -0.00 2.19 0.19 0.00 -1.03 0.00 0.00 54.13 55.48 2kcz s LEU 80 Cb -0.04 -4.57 1.01 0.00 0.03 0.00 0.00 46.19 42.61 2kcz s LEU 80 CO -0.00 -1.73 1.51 -0.65 0.23 0.00 0.00 176.35 175.71 2kcz h PRO 81 N 0.27 0.00 -0.31 1.29 0.11 -1.98 0.21 132.00 131.60 2kcz h PRO 81 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 2kcz h PRO 81 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 2kcz h PRO 81 CO 0.53 0.00 -0.20 0.78 -0.21 0.00 0.00 178.00 178.91 2kcz h GLY 82 N 0.00 0.62 -3.17 -0.55 0.00 -1.89 -3.44 103.07 94.64 2kcz h GLY 82 Ca 0.00 -0.48 -0.50 0.00 0.00 0.00 0.00 47.33 46.34 2kcz h GLY 82 CO 0.00 0.44 0.11 0.00 0.00 0.00 0.00 176.54 177.09 2kcz s ALA 83 N -4.61 3.35 -0.61 3.60 0.00 0.74 -4.88 121.76 119.35 2kcz s ALA 83 Ca -0.08 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2kcz s ALA 83 Cb 0.14 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.49 2kcz s ALA 83 CO 0.80 0.33 0.60 2.89 0.00 0.00 0.00 175.76 180.37 2kcz n ARG 84 N 0.05 0.66 -1.20 0.00 -4.01 -1.26 -4.59 116.66 106.31 2kcz n ARG 84 Ca 0.01 -0.69 -0.19 0.00 -1.04 0.00 0.00 57.85 55.94 2kcz n ARG 84 Cb 0.52 -1.04 0.14 0.00 -3.04 0.00 0.00 32.46 29.04 2kcz n ARG 84 CO 0.00 0.00 0.00 1.51 -3.04 0.00 0.00 177.63 176.10 2kcz n ILE 85 N 0.08 2.96 -1.88 8.89 0.13 -1.26 -4.99 119.36 123.28 2kcz n ILE 85 Ca 0.03 -2.80 -0.42 0.00 -1.10 0.00 0.00 62.75 58.46 2kcz n ILE 85 Cb 0.13 -0.66 -0.03 0.00 -0.84 0.00 0.00 39.64 38.24 2kcz n ILE 85 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 2kcz s GLU 86 N -3.44 4.18 -0.09 9.51 2.12 -1.26 -4.99 118.70 124.72 2kcz s GLU 86 Ca 0.53 2.36 -0.04 0.00 0.36 0.00 0.00 54.97 58.18 2kcz s GLU 86 Cb 0.45 -3.88 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 2kcz s GLU 86 CO 0.03 -0.83 0.07 1.21 -0.54 0.00 0.00 175.26 175.20 2kcz s ASN 87 N 3.25 5.79 -0.19 -1.70 3.84 -1.26 -5.03 114.94 119.65 2kcz s ASN 87 Ca 0.78 0.29 -0.15 0.00 0.21 0.00 0.00 52.86 53.98 2kcz s ASN 87 Cb -0.38 -1.75 -0.04 0.00 -0.55 0.00 0.00 41.25 38.52 2kcz s ASN 87 CO 0.34 0.38 0.38 -0.44 -2.79 0.00 0.00 177.10 174.96 2kcz s SER 88 N -1.04 6.43 -0.12 -4.21 0.01 -1.26 -4.67 113.70 108.84 2kcz s SER 88 Ca 0.15 0.51 -0.27 0.00 1.31 0.00 0.00 55.95 57.65 2kcz s SER 88 Cb -0.12 -2.22 0.07 0.00 0.21 0.00 0.00 66.02 63.96 2kcz s SER 88 CO 0.04 -0.04 0.66 -0.83 0.41 0.00 0.00 173.24 173.48 2kcz s GLY 89 N 0.94 -0.53 -0.12 3.44 0.00 -1.26 -1.63 107.32 108.17 2kcz s GLY 89 Ca 0.18 1.48 -0.05 0.00 0.00 0.00 0.00 44.72 46.33 2kcz s GLY 89 CO 0.07 1.16 0.26 1.85 0.00 0.00 0.00 173.10 176.45 2kcz s GLU 90 N -0.64 0.20 -0.22 2.90 2.12 -0.78 -1.01 118.70 121.27 2kcz s GLU 90 Ca -0.07 0.63 -0.06 0.00 0.36 0.00 0.00 54.97 55.83 2kcz s GLU 90 Cb -0.02 -0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.27 2kcz s GLU 90 CO 0.06 -0.21 0.01 0.54 -0.54 0.00 0.00 175.26 175.13 2kcz s VAL 91 N 1.69 3.92 -0.08 3.70 0.11 0.54 -2.22 120.40 128.07 2kcz s VAL 91 Ca -0.06 -0.31 -0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2kcz s VAL 91 Cb -0.11 -2.80 -0.03 0.00 -1.53 0.00 0.00 36.38 31.91 2kcz s VAL 91 CO -0.09 0.39 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.28 2kcz s LEU 92 N 1.35 3.34 -0.39 2.54 1.02 -0.74 0.30 118.68 126.11 2kcz s LEU 92 Ca 0.04 0.05 -0.11 0.00 0.02 0.00 0.00 54.13 54.13 2kcz s LEU 92 Cb -0.15 -1.74 0.04 0.00 0.02 0.00 0.00 46.19 44.36 2kcz s LEU 92 CO 0.01 0.37 0.23 -0.36 0.02 0.00 0.00 176.35 176.61 2kcz s PHE 93 N -0.82 3.26 0.04 0.29 0.08 0.42 -1.72 117.98 119.53 2kcz s PHE 93 Ca 0.12 -1.05 0.06 0.00 0.12 0.00 0.00 56.93 56.19 2kcz s PHE 93 Cb -0.11 -2.56 -0.02 0.00 -0.57 0.00 0.00 43.02 39.75 2kcz s PHE 93 CO 0.02 -0.69 -0.18 1.03 -0.10 0.00 0.00 175.22 175.30 2kcz s ARG 94 N 1.54 1.22 0.28 0.44 0.52 -0.76 -4.66 118.95 117.53 2kcz s ARG 94 Ca 0.02 -0.85 -0.29 0.00 -0.52 0.00 0.00 55.73 54.08 2kcz s ARG 94 Cb -0.20 -1.29 -0.10 0.00 0.52 0.00 0.00 34.95 33.88 2kcz s ARG 94 CO 0.06 0.33 1.39 -1.25 0.02 0.00 0.00 175.30 175.85 2kcz s PRO 95 N -1.11 4.29 0.40 3.54 0.04 -1.26 0.45 135.00 141.34 2kcz s PRO 95 Ca 0.05 2.28 -0.23 0.00 0.04 0.00 0.00 61.00 63.14 2kcz s PRO 95 Cb -0.08 -3.09 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 2kcz s PRO 95 CO 0.01 -0.35 1.00 0.00 0.04 0.00 0.00 177.00 177.70 2kcz s ALA 96 N -0.42 3.08 -0.50 8.56 0.00 0.45 -4.72 121.76 128.21 2kcz s ALA 96 Ca 0.55 0.57 -0.38 0.00 0.00 0.00 0.00 51.96 52.71 2kcz s ALA 96 Cb -0.41 -3.22 -0.17 0.00 0.00 0.00 0.00 23.12 19.32 2kcz s ALA 96 CO 0.47 -0.04 1.96 -2.30 0.00 0.00 0.00 175.76 175.85 2kcz n PRO 97 N -0.14 0.00 0.00 0.00 -0.02 -1.26 -2.60 135.00 130.98 2kcz n PRO 97 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2kcz n PRO 97 Cb 0.51 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 2kcz n PRO 97 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kcz n GLY 98 N 6.56 2.04 0.76 -1.23 0.00 -1.26 -3.55 105.19 108.52 2kcz n GLY 98 Ca 0.50 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -1.16 0.55 4.61 0.00 -1.07 -4.98 120.51 118.46 2kcz n ALA 99 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.49 2kcz n ALA 99 Cb 0.00 -0.31 0.45 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.03 0.17 0.00 0.00 3.00 -1.19 -4.99 116.66 113.62 2kcz n ARG 100 Ca -0.02 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.12 2kcz n ARG 100 Cb 0.34 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 31.03 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 0.57 0.69 3.65 5.14 0.00 -1.26 -4.64 105.19 109.34 2kcz n GLY 101 Ca 0.04 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.52 5.07 -0.40 2.61 2.01 0.16 -0.41 115.64 123.15 2kcz s THR 102 Ca 0.00 0.07 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 2kcz s THR 102 Cb 0.00 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.21 2kcz s THR 102 CO 0.00 0.41 0.29 -0.70 -0.69 0.00 0.00 174.62 173.93 2kcz s GLU 103 N 0.67 2.99 -0.72 4.92 2.12 0.17 -1.10 118.70 127.75 2kcz s GLU 103 Ca 0.06 -1.00 -0.22 0.00 0.36 0.00 0.00 54.97 54.17 2kcz s GLU 103 Cb -0.13 -3.94 0.08 0.00 0.26 0.00 0.00 34.13 30.40 2kcz s GLU 103 CO 0.01 -0.72 1.02 0.54 -0.54 0.00 0.00 175.26 175.56 2kcz s VAL 104 N 1.67 4.37 -0.45 3.70 0.11 -0.54 -1.83 120.40 127.44 2kcz s VAL 104 Ca 0.05 -0.57 -0.26 0.00 -2.93 0.00 0.00 61.98 58.27 2kcz s VAL 104 Cb -0.19 -4.72 0.03 0.00 -1.53 0.00 0.00 36.38 29.97 2kcz s VAL 104 CO 0.10 -1.49 0.95 0.68 -3.33 0.00 0.00 175.10 172.00 2kcz s VAL 105 N 3.89 4.47 -0.19 2.04 -7.23 -0.70 -2.86 120.40 119.82 2kcz s VAL 105 Ca 0.25 0.87 -0.03 0.00 -1.81 0.00 0.00 61.98 61.26 2kcz s VAL 105 Cb -0.14 -4.43 -0.01 0.00 0.56 0.00 0.00 36.38 32.36 2kcz s VAL 105 CO 0.06 -0.80 -0.08 0.54 -0.31 0.00 0.00 175.10 174.51 2kcz s VAL 106 N 3.77 3.27 -0.41 1.32 0.11 -0.72 -1.79 120.40 125.95 2kcz s VAL 106 Ca 0.38 -0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 58.88 2kcz s VAL 106 Cb -0.10 -2.44 0.11 0.00 -1.53 0.00 0.00 36.38 32.42 2kcz s VAL 106 CO 0.26 0.47 0.18 0.00 -3.33 0.00 0.00 175.10 172.67 2kcz s ARG 107 N 1.03 1.89 0.01 1.54 1.70 -0.94 -2.93 118.95 121.25 2kcz s ARG 107 Ca -0.00 -1.91 0.08 0.00 -0.47 0.00 0.00 55.73 53.43 2kcz s ARG 107 Cb -0.15 -3.48 -0.02 0.00 -0.57 0.00 0.00 34.95 30.73 2kcz s ARG 107 CO -0.01 -1.04 -0.26 -1.17 -1.08 0.00 0.00 175.30 171.74 2kcz s LEU 108 N 0.95 2.10 -0.25 -1.89 2.96 -1.20 -1.87 118.68 119.48 2kcz s LEU 108 Ca 0.10 -0.52 -0.26 0.00 -0.22 0.00 0.00 54.13 53.23 2kcz s LEU 108 Cb -0.22 -1.29 0.00 0.00 0.50 0.00 0.00 46.19 45.19 2kcz s LEU 108 CO -0.05 0.28 0.91 -0.89 -1.32 0.00 0.00 176.35 175.29 2kcz s THR 109 N -0.69 4.76 -0.15 3.68 2.01 -0.65 -3.55 115.64 121.05 2kcz s THR 109 Ca 0.10 1.71 0.00 0.00 0.31 0.00 0.00 61.69 63.82 2kcz s THR 109 Cb -0.10 -4.20 0.02 0.00 0.01 0.00 0.00 72.50 68.23 2kcz s THR 109 CO 0.00 -0.15 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.33 2kcz s TYR 110 N 3.02 2.20 0.07 4.92 2.02 -1.26 -4.86 117.35 123.46 2kcz s TYR 110 Ca 0.38 -1.24 0.10 0.00 -0.37 0.00 0.00 57.07 55.94 2kcz s TYR 110 Cb -0.15 -1.61 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 2kcz s TYR 110 CO 0.08 -0.67 -0.27 1.03 -1.57 0.00 0.00 175.55 174.15 2kcz s ARG 111 N 1.46 1.70 0.66 -0.62 0.52 -1.26 -4.46 118.95 116.94 2kcz s ARG 111 Ca 0.05 -1.17 -0.16 0.00 -0.52 0.00 0.00 55.73 53.92 2kcz s ARG 111 Cb -0.13 -1.96 -0.00 0.00 0.52 0.00 0.00 34.95 33.38 2kcz s ARG 111 CO -0.11 0.50 1.15 -2.14 0.02 0.00 0.00 175.30 174.72 2kcz s PRO 112 N -1.45 2.72 0.00 3.54 0.02 -1.26 -4.92 135.00 133.65 2kcz s PRO 112 Ca 0.12 1.56 0.16 0.00 0.02 0.00 0.00 61.00 62.86 2kcz s PRO 112 Cb -0.10 -1.92 0.93 0.00 0.02 0.00 0.00 34.50 33.42 2kcz s PRO 112 CO 0.03 -1.35 1.60 -0.35 -0.33 0.00 0.00 177.00 176.60 2kcz n PRO 113 N -2.26 1.01 0.00 5.54 -0.04 -1.26 -5.00 135.00 133.00 2kcz n PRO 113 Ca 0.12 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2kcz n PRO 113 Cb 0.51 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.75 0.22 3.35 0.55 0.00 -1.26 -5.04 105.19 103.75 2kcz n GLY 114 Ca 0.12 -1.96 -0.19 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.37 0.24 -0.02 0.00 -1.26 -4.88 105.19 98.90 2kcz n GLY 115 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.22 2kcz n GLY 115 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kcz h SER 116 N -2.12 0.00 0.54 1.61 0.02 -2.01 -1.29 113.55 110.31 2kcz h SER 116 Ca -0.54 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.28 2kcz h SER 116 Cb 1.33 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 2kcz h SER 116 CO 0.49 0.11 -0.59 0.00 -1.14 0.00 0.00 176.83 175.70 2kcz h ALA 117 N 1.89 0.99 0.00 3.77 0.00 -2.06 -3.09 119.26 120.76 2kcz h ALA 117 Ca -0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2kcz h ALA 117 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kcz h ALA 117 CO 0.01 0.74 -0.02 0.78 0.00 0.00 0.00 179.25 180.76 2kcz h GLY 118 N 1.71 0.00 1.75 0.00 0.00 -1.60 -3.17 103.07 101.75 2kcz h GLY 118 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2kcz h GLY 118 CO 0.08 0.00 0.12 0.00 0.00 0.00 0.00 176.54 176.74 2kcz h ALA 119 N 1.98 1.12 0.00 3.60 0.00 -1.45 -2.27 119.26 122.24 2kcz h ALA 119 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kcz h ALA 119 Cb 0.71 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kcz h ALA 119 CO 0.00 -0.12 -0.01 -0.24 0.00 0.00 0.00 179.25 178.88 2kcz h VAL 120 N 0.00 0.98 -0.18 0.00 3.04 -1.77 -1.94 116.25 116.38 2kcz h VAL 120 Ca 0.00 -0.02 -0.06 0.00 -1.01 0.00 0.00 66.70 65.60 2kcz h VAL 120 Cb 0.25 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.53 2kcz h VAL 120 CO 0.00 0.01 -0.18 0.16 -1.01 0.00 0.00 177.57 176.55 2kcz h ILE 121 N 0.00 1.22 0.00 3.17 -0.00 -1.69 -1.89 117.51 118.32 2kcz h ILE 121 Ca -0.00 -0.97 -0.26 0.00 -0.00 0.00 0.00 64.86 63.62 2kcz h ILE 121 Cb 0.01 1.28 0.02 0.00 -0.00 0.00 0.00 36.82 38.13 2kcz h ILE 121 CO 0.00 0.30 -1.03 0.00 -0.00 0.00 0.00 178.15 177.42 2kcz h ALA 122 N 1.54 0.16 -0.08 0.16 0.00 -1.58 -3.24 119.26 116.23 2kcz h ALA 122 Ca 0.05 -0.70 0.02 0.00 0.00 0.00 0.00 54.91 54.28 2kcz h ALA 122 Cb 0.48 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kcz h ALA 122 CO 0.03 0.71 0.07 -0.09 0.00 0.00 0.00 179.25 179.96 2kcz h ARG 123 N 0.37 0.00 -0.42 0.00 2.43 -0.99 0.62 114.38 116.38 2kcz h ARG 123 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2kcz h ARG 123 Cb 1.69 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.21 2kcz h ARG 123 CO 0.20 0.00 0.28 0.52 -1.51 0.00 0.00 179.97 179.46 2kcz h MET 124 N 0.00 0.56 0.00 0.20 2.86 -1.39 -3.31 114.93 113.85 2kcz h MET 124 Ca 0.04 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.50 2kcz h MET 124 Cb 0.17 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 2kcz h MET 124 CO -0.00 0.37 -1.81 1.19 1.06 0.00 0.00 176.91 177.72 2kcz n PHE 125 N -4.79 0.00 -3.84 -0.22 3.72 -0.91 -4.91 117.46 106.51 2kcz n PHE 125 Ca 0.01 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.05 2kcz n PHE 125 Cb 0.02 -0.53 -0.11 0.00 -0.94 0.00 0.00 39.48 37.93 2kcz n PHE 125 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2kcz s ASN 126 N -4.25 5.64 0.00 4.37 2.47 0.21 -4.96 114.94 118.42 2kcz s ASN 126 Ca -0.06 0.01 0.29 0.00 0.42 0.00 0.00 52.86 53.52 2kcz s ASN 126 Cb 0.06 -2.00 1.70 0.00 -1.45 0.00 0.00 41.25 39.57 2kcz s ASN 126 CO 0.57 0.08 2.07 0.00 -3.72 0.00 0.00 177.10 176.10 2kcz n GLN 127 N 4.18 0.84 -3.31 0.43 6.02 -1.26 -3.96 117.38 120.33 2kcz n GLN 127 Ca -0.16 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.73 2kcz n GLN 127 Cb 0.52 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.29 2kcz n GLN 127 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2kcz n GLU 128 N -1.04 -1.45 -0.32 -1.09 -0.58 -1.26 -4.89 120.64 110.00 2kcz n GLU 128 Ca 0.21 1.16 0.02 0.00 -0.42 0.00 0.00 57.16 58.13 2kcz n GLU 128 Cb 0.12 -4.84 0.16 0.00 -0.57 0.00 0.00 31.44 26.31 2kcz n GLU 128 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2kcz h PRO 129 N -0.11 0.94 -3.97 3.49 0.11 -2.02 -3.44 132.00 126.99 2kcz h PRO 129 Ca -0.27 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.66 2kcz h PRO 129 Cb 1.16 -0.21 -0.12 0.00 0.11 0.00 0.00 31.00 31.94 2kcz h PRO 129 CO 0.35 0.62 -0.32 0.45 -0.21 0.00 0.00 178.00 178.89 2kcz s SER 130 N -5.74 0.02 0.01 -2.05 0.15 -1.26 -5.05 113.70 99.78 2kcz s SER 130 Ca -0.12 -1.02 0.24 0.00 0.70 0.00 0.00 55.95 55.74 2kcz s SER 130 Cb 0.19 0.48 0.26 0.00 -1.71 0.00 0.00 66.02 65.24 2kcz s SER 130 CO 0.79 -0.97 1.23 0.00 1.20 0.00 0.00 173.24 175.49 2kcz n GLN 131 N -0.29 0.06 -3.70 5.44 10.64 -1.26 -4.73 117.38 123.54 2kcz n GLN 131 Ca -0.03 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.91 2kcz n GLN 131 Cb 0.63 -1.52 -0.17 0.00 -0.86 0.00 0.00 30.24 28.31 2kcz n GLN 131 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2kcz s GLN 132 N -3.04 0.24 -0.04 2.61 1.03 -1.26 -5.02 119.66 114.18 2kcz s GLN 132 Ca 0.09 0.11 0.04 0.00 0.04 0.00 0.00 55.36 55.63 2kcz s GLN 132 Cb 0.16 -1.12 -0.00 0.00 0.03 0.00 0.00 33.01 32.09 2kcz s GLN 132 CO 0.76 -0.43 -0.14 -0.51 -2.54 0.00 0.00 175.29 172.42 2kcz s LEU 133 N 2.07 1.86 -0.30 2.60 1.43 -1.26 -5.03 118.68 120.04 2kcz s LEU 133 Ca 0.04 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2kcz s LEU 133 Cb -0.14 -0.84 0.19 0.00 0.03 0.00 0.00 46.19 45.44 2kcz s LEU 133 CO -0.06 0.12 2.06 -2.11 0.23 0.00 0.00 176.35 176.59 2kcz n ARG 134 N 3.24 1.78 -0.14 1.70 1.85 -1.26 -4.50 116.66 119.33 2kcz n ARG 134 Ca -0.18 -1.50 -0.10 0.00 -1.00 0.00 0.00 57.85 55.06 2kcz n ARG 134 Cb 0.53 -1.60 -0.01 0.00 -1.05 0.00 0.00 32.46 30.33 2kcz n ARG 134 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 2kcz h ASP 135 N 1.52 0.65 0.20 2.89 3.58 -2.00 0.23 116.42 123.50 2kcz h ASP 135 Ca 0.28 -0.28 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 2kcz h ASP 135 Cb 0.91 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2kcz h ASP 135 CO 0.72 0.77 -0.84 0.44 -2.88 0.00 0.00 179.24 177.45 2kcz h ASP 136 N 0.52 0.61 0.54 2.28 5.19 -2.02 -3.32 116.42 120.22 2kcz h ASP 136 Ca 0.12 -0.44 -0.11 0.00 -0.62 0.00 0.00 57.03 55.98 2kcz h ASP 136 Cb 0.41 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 2kcz h ASP 136 CO 0.01 1.21 -0.52 -0.07 -3.12 0.00 0.00 179.24 176.76 2kcz h LEU 137 N 0.31 0.00 -1.88 1.55 4.07 -1.78 -1.67 115.31 115.91 2kcz h LEU 137 Ca -0.06 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 2kcz h LEU 137 Cb 1.45 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.19 2kcz h LEU 137 CO 0.15 0.52 -0.13 0.00 -1.08 0.00 0.00 178.44 177.90 2kcz h MET 138 N 0.00 0.00 -0.04 1.13 -0.00 -0.64 -0.10 114.93 115.28 2kcz h MET 138 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 2kcz h MET 138 Cb 0.93 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.53 2kcz h MET 138 CO 0.07 0.13 -0.04 0.00 -0.00 0.00 0.00 176.91 177.07 2kcz h ARG 139 N 0.00 0.10 -0.27 -0.10 3.08 -1.44 -1.97 114.38 113.78 2kcz h ARG 139 Ca -0.00 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.04 2kcz h ARG 139 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 2kcz h ARG 139 CO 0.02 0.55 0.03 0.35 -1.07 0.00 0.00 179.97 179.85 2kcz h PHE 140 N -0.35 0.04 -0.46 3.04 3.57 -1.07 -1.41 116.94 120.30 2kcz h PHE 140 Ca 0.01 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2kcz h PHE 140 Cb 0.53 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2kcz h PHE 140 CO 0.09 -0.01 0.17 -0.22 -2.23 0.00 0.00 178.31 176.11 2kcz h LYS 141 N 0.12 0.70 -0.07 1.11 3.11 -1.12 -2.33 116.57 118.09 2kcz h LYS 141 Ca 0.13 -0.14 0.02 0.00 -2.81 0.00 0.00 60.65 57.85 2kcz h LYS 141 Cb 0.15 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 2kcz h LYS 141 CO -0.19 0.65 -0.06 -0.09 -2.81 0.00 0.00 179.45 176.94 2kcz h ARG 142 N 0.61 -0.07 0.00 1.90 2.43 -0.74 -0.91 114.38 117.60 2kcz h ARG 142 Ca 0.15 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2kcz h ARG 142 Cb 0.22 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2kcz h ARG 142 CO -0.01 -0.05 -0.23 0.93 -1.51 0.00 0.00 179.97 179.10 2kcz h GLU 143 N -0.07 0.00 0.00 0.20 5.08 -1.26 0.93 114.58 119.46 2kcz h GLU 143 Ca 0.05 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 2kcz h GLU 143 Cb 0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2kcz h GLU 143 CO -0.12 0.23 -0.81 0.37 -1.00 0.00 0.00 179.01 177.69 2kcz h GLN 144 N 0.00 0.00 0.00 2.33 4.15 -0.64 -3.28 115.11 117.67 2kcz h GLN 144 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2kcz h GLN 144 Cb 0.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.18 2kcz h GLN 144 CO 0.03 0.81 -0.92 -0.85 -1.93 0.00 0.00 178.83 175.97 2kcz n GLU 145 N -3.47 2.09 -0.31 1.69 -0.00 -0.54 -4.42 120.64 115.68 2kcz n GLU 145 Ca -0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 57.16 57.07 2kcz n GLU 145 Cb 0.80 -1.15 0.08 0.00 -0.00 0.00 0.00 31.44 31.17 2kcz n GLU 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2kcz h LEU 146 N 0.00 1.09 -8.46 -1.84 5.85 -0.89 -3.38 115.31 107.69 2kcz h LEU 146 Ca 0.00 -0.12 -0.69 0.00 0.84 0.00 0.00 57.88 57.91 2kcz h LEU 146 Cb 0.39 -0.28 -0.24 0.00 0.37 0.00 0.00 40.66 40.90 2kcz h LEU 146 CO 0.00 0.90 -0.55 -0.83 -0.34 0.00 0.00 178.44 177.62 2kcz s GLY 147 N -3.25 1.87 -0.09 3.75 0.00 -1.24 -4.97 107.32 103.40 2kcz s GLY 147 Ca -0.13 -1.52 -0.01 0.00 0.00 0.00 0.00 44.72 43.07 2kcz s GLY 147 CO 0.83 0.74 -0.01 1.41 0.00 0.00 0.00 173.10 176.07 2kcz h LEU 148 N 8.36 0.00 -7.76 0.66 3.38 -1.86 -3.45 115.31 114.64 2kcz h LEU 148 Ca -0.29 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.05 2kcz h LEU 148 Cb 1.13 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.50 2kcz h LEU 148 CO 0.63 0.46 -0.80 -1.61 0.09 0.00 0.00 178.44 177.21 2kcz s GLU 149 N -1.54 1.96 -0.00 1.13 2.02 -1.26 -4.94 118.70 116.07 2kcz s GLU 149 Ca -0.01 -0.94 0.01 0.00 0.02 0.00 0.00 54.97 54.05 2kcz s GLU 149 Cb 0.00 -2.52 -0.00 0.00 0.10 0.00 0.00 34.13 31.70 2kcz s GLU 149 CO 0.01 -0.49 -0.04 -1.58 0.02 0.00 0.00 175.26 173.19 2kcz s HIS 150 N 1.36 0.37 -0.44 1.61 2.46 -1.07 -5.05 115.29 114.52 2kcz s HIS 150 Ca -0.03 -0.09 0.09 0.00 0.47 0.00 0.00 55.06 55.50 2kcz s HIS 150 Cb -0.17 -0.23 0.38 0.00 -0.13 0.00 0.00 32.58 32.43 2kcz s HIS 150 CO -0.07 -0.01 0.93 -2.39 -2.47 0.00 0.00 174.74 170.73 2kcz n HIS 151 N 2.92 2.38 0.00 3.88 1.44 -1.26 -3.49 115.22 121.09 2kcz n HIS 151 Ca -0.13 -3.52 0.00 0.00 -2.01 0.00 0.00 57.72 52.06 2kcz n HIS 151 Cb 0.58 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.34 2kcz n HIS 151 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kcz n HIS 152 N -0.13 0.00 -3.58 -1.40 -0.00 -1.26 -4.79 115.22 104.05 2kcz n HIS 152 Ca 0.27 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.39 2kcz n HIS 152 Cb 0.60 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.45 2kcz n HIS 152 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kcz s HIS 153 N 0.00 -0.20 0.00 1.57 -3.43 -1.26 -5.15 115.29 106.83 2kcz s HIS 153 Ca 0.00 0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.44 2kcz s HIS 153 Cb 0.00 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 2kcz s HIS 153 CO 0.00 -0.28 0.00 1.58 -2.00 0.00 0.00 174.74 174.04 2kcz n HIS 154 N 0.05 0.00 -1.47 0.38 -0.00 -1.26 -5.33 115.22 107.58 2kcz n HIS 154 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 2kcz n HIS 154 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.58 2kcz n HIS 154 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06