#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 4.46 3.92 3.03 0.00 -1.26 -5.15 105.19 110.19 2kcz n GLY 2 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.48 0.79 -0.08 1.61 0.41 -1.26 -5.09 118.70 111.60 2kcz s GLU 3 Ca 0.00 -0.32 -0.01 0.00 -0.41 0.00 0.00 54.97 54.23 2kcz s GLU 3 Cb 0.00 -1.85 0.03 0.00 -1.78 0.00 0.00 34.13 30.52 2kcz s GLU 3 CO 0.00 -2.33 -0.03 0.99 -0.49 0.00 0.00 175.26 173.40 2kcz s THR 4 N -3.82 0.61 -0.11 3.63 2.01 -1.26 -5.13 115.64 111.57 2kcz s THR 4 Ca 0.72 -0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.65 2kcz s THR 4 Cb -0.05 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 2kcz s THR 4 CO 0.52 0.29 -0.03 -0.69 -0.69 0.00 0.00 174.62 174.03 2kcz s VAL 5 N 1.68 4.03 -0.28 3.82 1.01 -1.26 -4.91 120.40 124.48 2kcz s VAL 5 Ca 0.02 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 2kcz s VAL 5 Cb -0.13 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.55 2kcz s VAL 5 CO -0.05 0.56 1.13 -0.69 0.00 0.00 0.00 175.10 176.05 2kcz s VAL 6 N -0.42 4.45 -0.17 2.92 1.01 -1.25 -4.99 120.40 121.96 2kcz s VAL 6 Ca 0.07 1.70 -0.05 0.00 0.00 0.00 0.00 61.98 63.70 2kcz s VAL 6 Cb -0.12 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 32.01 2kcz s VAL 6 CO 0.02 -0.38 0.09 -0.60 0.00 0.00 0.00 175.10 174.23 2kcz s ARG 7 N 3.64 0.06 0.28 2.72 3.52 -1.26 -3.12 118.95 124.79 2kcz s ARG 7 Ca 0.48 -0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 55.89 2kcz s ARG 7 Cb -0.15 -1.81 0.00 0.00 -1.56 0.00 0.00 34.95 31.44 2kcz s ARG 7 CO 0.15 -0.68 0.50 0.34 -0.81 0.00 0.00 175.30 174.80 2kcz s ASP 8 N 2.14 0.14 -0.04 -2.12 -1.08 -1.25 -5.06 116.67 109.41 2kcz s ASP 8 Ca 0.02 -1.08 -0.02 0.00 -0.52 0.00 0.00 52.55 50.96 2kcz s ASP 8 Cb -0.16 0.62 0.03 0.00 -1.46 0.00 0.00 42.92 41.95 2kcz s ASP 8 CO -0.10 -1.22 0.06 0.00 0.52 0.00 0.00 175.17 174.43 2kcz s ALA 9 N -3.67 0.24 0.08 3.66 0.00 -1.26 -3.17 121.76 117.64 2kcz s ALA 9 Ca 0.24 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.44 2kcz s ALA 9 Cb -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2kcz s ALA 9 CO 0.12 -0.46 -0.06 0.14 0.00 0.00 0.00 175.76 175.50 2kcz s VAL 10 N 2.07 3.62 -0.36 0.00 -7.23 -1.14 -4.86 120.40 112.50 2kcz s VAL 10 Ca 0.04 -1.09 -0.02 0.00 -1.81 0.00 0.00 61.98 59.10 2kcz s VAL 10 Cb -0.12 -2.68 0.09 0.00 0.56 0.00 0.00 36.38 34.22 2kcz s VAL 10 CO -0.03 0.17 0.11 0.28 -0.31 0.00 0.00 175.10 175.32 2kcz s THR 11 N -1.21 3.07 0.16 5.32 -1.32 -1.26 -0.04 115.64 120.37 2kcz s THR 11 Ca 0.22 -1.83 -0.03 0.00 -1.21 0.00 0.00 61.69 58.84 2kcz s THR 11 Cb -0.11 -2.99 -0.05 0.00 -1.51 0.00 0.00 72.50 67.83 2kcz s THR 11 CO 0.14 -0.46 0.38 -0.63 -2.21 0.00 0.00 174.62 171.83 2kcz s ILE 12 N 1.16 5.19 -0.11 5.08 1.09 -1.19 -4.66 121.20 127.76 2kcz s ILE 12 Ca 0.04 -0.14 -0.04 0.00 -1.10 0.00 0.00 60.65 59.41 2kcz s ILE 12 Cb -0.21 -3.67 -0.15 0.00 -1.06 0.00 0.00 42.46 37.37 2kcz s ILE 12 CO -0.03 -0.05 2.41 0.61 -0.10 0.00 0.00 174.94 177.78 2kcz n GLY 13 N -0.21 2.35 3.18 6.18 0.00 -1.26 -2.99 105.19 112.44 2kcz n GLY 13 Ca -0.03 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 1.93 1.11 0.10 1.61 1.02 -1.26 -4.98 119.74 119.26 2kcz s LYS 14 Ca 0.42 -0.79 -0.33 0.00 0.02 0.00 0.00 55.97 55.29 2kcz s LYS 14 Cb 0.19 -1.15 -0.14 0.00 -0.52 0.00 0.00 37.83 36.21 2kcz s LYS 14 CO -0.00 0.29 1.59 -1.35 -0.92 0.00 0.00 175.35 174.96 2kcz h PRO 15 N 5.00 -0.78 0.00 -1.68 0.11 -1.92 -3.33 132.00 129.40 2kcz h PRO 15 Ca -0.39 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2kcz h PRO 15 Cb 1.17 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2kcz h PRO 15 CO 0.44 -0.52 0.00 0.00 -0.21 0.00 0.00 178.00 177.72 2kcz n ALA 16 N -2.74 0.00 -0.33 -0.75 0.00 -1.26 -4.59 120.51 110.84 2kcz n ALA 16 Ca -0.10 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.55 2kcz n ALA 16 Cb 0.40 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.98 0.12 114.58 117.99 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 -0.39 1.04 -0.73 0.00 0.00 179.01 179.24 2kcz n GLN 18 N -4.73 0.19 -0.08 1.92 1.13 -1.26 -3.84 117.38 110.72 2kcz n GLN 18 Ca 0.26 0.09 -0.12 0.00 -1.94 0.00 0.00 57.00 55.28 2kcz n GLN 18 Cb 0.83 -1.65 -0.09 0.00 0.11 0.00 0.00 30.24 29.44 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 -1.74 1.08 3.38 -1.09 -3.35 115.31 113.58 2kcz h LEU 19 Ca 0.00 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 2kcz h LEU 19 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2kcz h LEU 19 CO 0.00 1.00 -0.11 0.10 0.09 0.00 0.00 178.44 179.52 2kcz h TYR 20 N -1.00 0.00 0.00 1.13 -0.00 -1.63 -0.28 116.97 115.18 2kcz h TYR 20 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.64 2kcz h TYR 20 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.55 2kcz h TYR 20 CO 0.11 0.11 0.00 0.00 -0.00 0.00 0.00 178.16 178.39 2kcz n ALA 21 N -2.21 2.28 0.24 0.10 0.00 -1.25 -4.02 120.51 115.64 2kcz n ALA 21 Ca -0.01 -0.13 0.17 0.00 0.00 0.00 0.00 53.44 53.47 2kcz n ALA 21 Cb 0.28 -1.38 0.76 0.00 0.00 0.00 0.00 19.45 19.11 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 0.14 -0.50 0.00 3.04 -1.17 0.74 116.25 118.50 2kcz h VAL 22 Ca 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 66.70 65.79 2kcz h VAL 22 Cb 0.11 0.63 -0.03 0.00 -2.01 0.00 0.00 31.29 30.00 2kcz h VAL 22 CO 0.00 0.00 0.34 -0.25 -1.01 0.00 0.00 177.57 176.65 2kcz h TRP 23 N 0.00 0.28 -0.08 3.17 7.01 -1.83 0.25 115.95 124.75 2kcz h TRP 23 Ca 0.08 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.09 2kcz h TRP 23 Cb 0.89 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.86 2kcz h TRP 23 CO 0.00 0.13 0.00 -2.13 -2.79 0.00 0.00 178.44 173.65 2kcz n ARG 24 N -4.46 1.61 -2.92 2.65 0.63 0.10 -5.05 116.66 109.22 2kcz n ARG 24 Ca 0.08 -1.32 -0.01 0.00 -0.92 0.00 0.00 57.85 55.68 2kcz n ARG 24 Cb 0.39 -1.09 -0.01 0.00 0.45 0.00 0.00 32.46 32.20 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 0.00 -5.63 -1.00 6.15 2.03 0.08 -4.89 116.55 113.29 2kcz n ASP 25 Ca 0.03 1.01 0.04 0.00 0.52 0.00 0.00 54.79 56.40 2kcz n ASP 25 Cb 0.23 -3.19 -0.02 0.00 -0.72 0.00 0.00 41.12 37.42 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 1.69 -0.94 -4.59 -2.67 4.77 -1.10 -4.76 117.00 109.40 2kcz n LEU 26 Ca -0.11 1.76 -0.43 0.00 -0.03 0.00 0.00 56.01 57.21 2kcz n LEU 26 Cb 0.29 -1.82 -0.02 0.00 -2.33 0.00 0.00 43.42 39.54 2kcz n LEU 26 CO 0.18 -0.87 1.19 -2.84 -1.33 0.00 0.00 177.39 173.72 2kcz s PRO 27 N -4.52 3.55 -0.48 3.23 0.02 -1.26 -4.89 135.00 130.65 2kcz s PRO 27 Ca 0.00 0.72 -0.02 0.00 0.02 0.00 0.00 61.00 61.72 2kcz s PRO 27 Cb 0.00 -4.02 0.13 0.00 0.02 0.00 0.00 34.50 30.63 2kcz s PRO 27 CO 0.00 -1.61 0.27 0.20 -0.33 0.00 0.00 177.00 175.53 2kcz s GLY 28 N 3.66 2.18 0.49 0.52 0.00 -1.26 -5.09 107.32 107.82 2kcz s GLY 28 Ca 0.56 -2.82 -0.20 0.00 0.00 0.00 0.00 44.72 42.25 2kcz s GLY 28 CO 0.31 1.04 1.03 1.08 0.00 0.00 0.00 173.10 176.56 2kcz s LEU 29 N 0.63 3.83 0.00 0.66 1.43 -1.26 -4.92 118.68 119.05 2kcz s LEU 29 Ca 0.12 1.89 0.05 0.00 -1.03 0.00 0.00 54.13 55.16 2kcz s LEU 29 Cb -0.22 -4.56 0.29 0.00 0.03 0.00 0.00 46.19 41.73 2kcz s LEU 29 CO -0.04 -0.75 0.83 -0.81 0.23 0.00 0.00 176.35 175.80 2kcz n PRO 30 N -1.00 0.59 -0.94 1.29 -0.04 -1.26 -4.80 135.00 128.84 2kcz n PRO 30 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2kcz n PRO 30 Cb 0.53 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.63 0.71 -1.61 1.53 4.32 -1.26 -2.18 117.00 117.89 2kcz n LEU 31 Ca 0.04 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.82 2kcz n LEU 31 Cb 0.02 -1.76 -0.09 0.00 -1.62 0.00 0.00 43.42 39.97 2kcz n LEU 31 CO 0.03 -0.65 -0.20 0.18 -1.22 0.00 0.00 177.39 175.54 2kcz n LEU 32 N 0.00 -1.49 -1.36 2.23 7.99 -1.26 -0.86 117.00 122.24 2kcz n LEU 32 Ca 0.00 0.50 -0.18 0.00 -0.01 0.00 0.00 56.01 56.32 2kcz n LEU 32 Cb 0.29 -2.82 -0.08 0.00 -0.11 0.00 0.00 43.42 40.71 2kcz n LEU 32 CO 0.00 -1.06 -0.17 0.23 -1.51 0.00 0.00 177.39 174.88 2kcz n MET 33 N -2.36 -1.31 0.04 3.23 2.81 -0.93 -4.77 117.12 113.83 2kcz n MET 33 Ca -0.20 1.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.81 2kcz n MET 33 Cb 0.67 -5.41 0.00 0.00 -0.71 0.00 0.00 33.22 27.77 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 -2.45 0.68 -3.65 2.03 -1.04 -0.34 -5.14 114.28 104.37 2kcz n THR 34 Ca -0.18 0.23 -0.02 0.00 -2.04 0.00 0.00 64.05 62.04 2kcz n THR 34 Cb 0.60 -1.21 -0.06 0.00 -1.82 0.00 0.00 70.33 67.84 2kcz n THR 34 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2kcz s HIS 35 N -1.66 -0.01 -0.52 -1.42 5.65 -0.04 -5.09 115.29 112.19 2kcz s HIS 35 Ca 0.00 0.01 -0.27 0.00 0.25 0.00 0.00 55.06 55.05 2kcz s HIS 35 Cb 0.00 0.50 -0.02 0.00 -1.18 0.00 0.00 32.58 31.88 2kcz s HIS 35 CO 0.00 -0.00 1.83 -1.17 -0.65 0.00 0.00 174.74 174.75 2kcz s LEU 36 N -0.28 3.37 -0.10 8.88 1.98 -1.26 -4.67 118.68 126.60 2kcz s LEU 36 Ca 0.08 0.63 0.02 0.00 -2.89 0.00 0.00 54.13 51.98 2kcz s LEU 36 Cb -0.04 -2.85 -0.25 0.00 0.66 0.00 0.00 46.19 43.72 2kcz s LEU 36 CO -0.15 -2.16 0.45 -2.11 -1.89 0.00 0.00 176.35 170.49 2kcz n ARG 37 N 8.92 0.70 -3.61 1.98 1.85 -1.26 -5.02 116.66 120.22 2kcz n ARG 37 Ca 0.21 0.26 -0.04 0.00 -1.00 0.00 0.00 57.85 57.28 2kcz n ARG 37 Cb 0.50 -1.73 -0.03 0.00 -1.05 0.00 0.00 32.46 30.16 2kcz n ARG 37 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2kcz s SER 38 N -6.60 -0.13 -0.54 2.89 1.04 -1.26 -5.10 113.70 103.99 2kcz s SER 38 Ca -0.16 0.06 -0.10 0.00 0.48 0.00 0.00 55.95 56.23 2kcz s SER 38 Cb 0.07 0.12 0.14 0.00 0.10 0.00 0.00 66.02 66.45 2kcz s SER 38 CO 0.79 -0.18 0.44 -0.69 0.98 0.00 0.00 173.24 174.58 2kcz s VAL 39 N -1.86 4.50 -0.01 5.02 1.01 -1.26 -4.92 120.40 122.89 2kcz s VAL 39 Ca 0.08 -1.95 0.05 0.00 0.00 0.00 0.00 61.98 60.16 2kcz s VAL 39 Cb -0.01 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2kcz s VAL 39 CO -0.05 -0.84 -0.16 -0.70 0.00 0.00 0.00 175.10 173.36 2kcz s GLU 40 N 1.10 1.25 0.03 2.72 2.12 -1.26 -5.14 118.70 119.53 2kcz s GLU 40 Ca 0.08 -0.56 -0.13 0.00 0.36 0.00 0.00 54.97 54.71 2kcz s GLU 40 Cb -0.24 -1.21 -0.06 0.00 0.26 0.00 0.00 34.13 32.88 2kcz s GLU 40 CO -0.01 0.33 0.42 0.54 -0.54 0.00 0.00 175.26 175.99 2kcz s VAL 41 N -0.37 5.03 0.10 3.70 0.11 -1.26 -4.44 120.40 123.26 2kcz s VAL 41 Ca 0.06 0.75 -0.18 0.00 -2.93 0.00 0.00 61.98 59.68 2kcz s VAL 41 Cb -0.06 -3.70 -0.06 0.00 -1.53 0.00 0.00 36.38 31.03 2kcz s VAL 41 CO -0.01 0.48 1.55 -0.07 -3.33 0.00 0.00 175.10 173.73 2kcz h LEU 42 N 4.38 0.49 0.00 2.54 3.38 -1.77 -3.48 115.31 120.84 2kcz h LEU 42 Ca -0.51 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.17 2kcz h LEU 42 Cb 1.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2kcz h LEU 42 CO 0.63 0.66 0.00 -0.67 0.09 0.00 0.00 178.44 179.15 2kcz n ASP 43 N -4.60 0.00 0.00 -0.43 2.03 -1.25 -5.06 116.55 107.24 2kcz n ASP 43 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2kcz n ASP 43 Cb 0.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 2kcz n ASP 43 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kcz n ASP 44 N -0.39 0.00 -0.19 1.67 -0.08 -1.26 -4.92 116.55 111.38 2kcz n ASP 44 Ca 0.00 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.29 2kcz n ASP 44 Cb 0.00 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.49 2kcz n ASP 44 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2kcz n LYS 45 N 0.00 1.16 -3.64 -0.67 4.01 -1.26 -3.07 118.16 114.68 2kcz n LYS 45 Ca 0.00 -0.21 -0.07 0.00 -0.51 0.00 0.00 58.31 57.52 2kcz n LYS 45 Cb 0.00 -1.13 -0.07 0.00 -0.51 0.00 0.00 35.03 33.32 2kcz n LYS 45 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2kcz s ARG 46 N -1.80 0.38 -0.23 1.97 1.70 -1.25 -4.35 118.95 115.37 2kcz s ARG 46 Ca 0.04 0.46 -0.04 0.00 -0.47 0.00 0.00 55.73 55.71 2kcz s ARG 46 Cb 0.02 0.18 0.08 0.00 -0.57 0.00 0.00 34.95 34.66 2kcz s ARG 46 CO 0.02 -0.05 0.10 -1.54 -1.08 0.00 0.00 175.30 172.76 2kcz s SER 47 N 0.23 2.96 0.00 -2.89 1.04 -1.26 -3.84 113.70 109.94 2kcz s SER 47 Ca 0.04 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2kcz s SER 47 Cb -0.05 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.72 2kcz s SER 47 CO -0.09 -0.39 0.00 0.54 0.98 0.00 0.00 173.24 174.28 2kcz n ARG 48 N 5.23 0.00 -0.80 4.02 3.00 -1.26 -4.93 116.66 121.91 2kcz n ARG 48 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.77 2kcz n ARG 48 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.92 2kcz n ARG 48 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2kcz n TRP 49 N -0.43 0.00 0.10 -1.55 8.01 -1.26 -5.01 117.44 117.30 2kcz n TRP 49 Ca 0.00 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.23 2kcz n TRP 49 Cb 0.00 0.00 0.20 0.00 -2.01 0.00 0.00 31.31 29.50 2kcz n TRP 49 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2kcz n THR 50 N 0.00 1.33 -3.58 -0.99 -2.24 -1.26 -4.38 114.28 103.15 2kcz n THR 50 Ca 0.00 -0.70 -0.14 0.00 -2.27 0.00 0.00 64.05 60.95 2kcz n THR 50 Cb 0.00 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 2kcz n THR 50 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kcz s VAL 51 N -1.86 0.03 -0.15 2.28 0.11 -1.26 -5.08 120.40 114.46 2kcz s VAL 51 Ca 0.28 -0.27 -0.09 0.00 -2.93 0.00 0.00 61.98 58.97 2kcz s VAL 51 Cb 0.21 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 34.11 2kcz s VAL 51 CO 0.09 -0.15 0.18 -0.62 -3.33 0.00 0.00 175.10 171.27 2kcz n GLU 52 N 0.36 -3.47 -3.55 1.54 1.02 -1.26 -4.95 120.64 110.33 2kcz n GLU 52 Ca -0.18 2.74 -0.40 0.00 -0.02 0.00 0.00 57.16 59.30 2kcz n GLU 52 Cb 0.61 -4.17 -0.06 0.00 -0.02 0.00 0.00 31.44 27.80 2kcz n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcz s ALA 53 N -0.59 3.95 1.02 0.62 0.00 -1.26 -4.70 121.76 120.80 2kcz s ALA 53 Ca -0.20 -3.44 -0.03 0.00 0.00 0.00 0.00 51.96 48.29 2kcz s ALA 53 Cb 0.01 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.14 2kcz s ALA 53 CO 0.61 -2.18 0.19 -2.30 0.00 0.00 0.00 175.76 172.09 2kcz n PRO 54 N 3.36 -0.85 -2.15 0.00 -0.02 -1.26 -5.01 135.00 129.07 2kcz n PRO 54 Ca 0.13 -0.30 -0.37 0.00 -2.02 0.00 0.00 63.50 60.94 2kcz n PRO 54 Cb 0.41 -0.24 0.00 0.00 -0.02 0.00 0.00 33.50 33.65 2kcz n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kcz s ALA 55 N -3.43 2.93 0.67 3.55 0.00 -1.26 -4.90 121.76 119.31 2kcz s ALA 55 Ca 0.12 1.03 0.39 0.00 0.00 0.00 0.00 51.96 53.49 2kcz s ALA 55 Cb -0.01 -3.43 2.13 0.00 0.00 0.00 0.00 23.12 21.81 2kcz s ALA 55 CO 0.09 -0.83 2.20 -1.00 0.00 0.00 0.00 175.76 176.22 2kcz h PRO 56 N 1.89 0.00 0.00 0.00 0.13 -1.95 -1.50 132.00 130.57 2kcz h PRO 56 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kcz h PRO 56 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kcz h PRO 56 CO 0.59 0.00 0.00 1.47 -0.23 0.00 0.00 178.00 179.83 2kcz n LEU 57 N -3.03 0.28 0.00 1.56 -0.00 -1.26 -4.41 117.00 110.14 2kcz n LEU 57 Ca -0.03 -0.59 0.00 0.00 -0.00 0.00 0.00 56.01 55.39 2kcz n LEU 57 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 2kcz n LEU 57 CO 0.18 0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.25 2kcz n GLY 58 N 0.63 1.85 0.09 1.47 0.00 -0.57 -1.56 105.19 107.10 2kcz n GLY 58 Ca 0.00 0.41 -0.10 0.00 0.00 0.00 0.00 46.02 46.32 2kcz n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcz h ALA 59 N -0.79 -0.09 0.00 4.61 0.00 -1.94 -3.47 119.26 117.58 2kcz h ALA 59 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kcz h ALA 59 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2kcz h ALA 59 CO 0.00 -0.14 0.00 1.55 0.00 0.00 0.00 179.25 180.66 2kcz n VAL 60 N -4.78 0.00 -1.94 0.00 3.14 -0.60 -4.94 118.33 109.20 2kcz n VAL 60 Ca -0.07 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.35 2kcz n VAL 60 Cb 0.29 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.15 2kcz n VAL 60 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2kcz n SER 61 N -0.52 1.10 -0.01 6.55 7.64 -1.24 -4.40 113.62 122.75 2kcz n SER 61 Ca 0.00 -2.59 -0.13 0.00 1.01 0.00 0.00 58.87 57.16 2kcz n SER 61 Cb 0.00 -0.34 -0.14 0.00 -1.01 0.00 0.00 64.21 62.72 2kcz n SER 61 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 2kcz h TRP 62 N 0.57 0.18 -1.65 1.43 2.91 -1.91 -3.47 115.95 114.01 2kcz h TRP 62 Ca -0.08 -0.13 -0.50 0.00 1.13 0.00 0.00 58.89 59.31 2kcz h TRP 62 Cb 1.43 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 30.03 2kcz h TRP 62 CO 0.25 1.27 -0.41 -1.21 -1.03 0.00 0.00 178.44 177.32 2kcz s GLU 63 N -2.59 2.58 -0.16 2.65 0.41 -1.23 -4.97 118.70 115.39 2kcz s GLU 63 Ca -0.10 -1.46 0.00 0.00 -0.41 0.00 0.00 54.97 53.00 2kcz s GLU 63 Cb 0.07 -2.39 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 2kcz s GLU 63 CO 0.81 -0.08 -0.16 0.00 -0.49 0.00 0.00 175.26 175.34 2kcz s ALA 64 N -2.42 2.46 -0.13 5.21 0.00 -1.26 -4.50 121.76 121.12 2kcz s ALA 64 Ca 0.45 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 2kcz s ALA 64 Cb -0.04 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 2kcz s ALA 64 CO 0.27 -0.07 0.02 -2.00 0.00 0.00 0.00 175.76 173.98 2kcz s GLU 65 N 0.88 3.44 0.14 0.00 2.12 -1.26 -3.93 118.70 120.09 2kcz s GLU 65 Ca -0.04 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 54.88 2kcz s GLU 65 Cb -0.15 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 2kcz s GLU 65 CO -0.01 0.49 0.32 -0.51 -0.54 0.00 0.00 175.26 175.01 2kcz s LEU 66 N -0.27 4.29 0.12 2.70 2.01 -1.18 -3.21 118.68 123.14 2kcz s LEU 66 Ca 0.07 0.39 -0.07 0.00 0.01 0.00 0.00 54.13 54.53 2kcz s LEU 66 Cb -0.12 -3.12 -0.11 0.00 0.01 0.00 0.00 46.19 42.85 2kcz s LEU 66 CO 0.02 0.06 1.30 0.71 1.01 0.00 0.00 176.35 179.44 2kcz h THR 67 N 1.85 1.36 -1.20 5.49 1.35 -1.76 -3.43 112.91 116.57 2kcz h THR 67 Ca -0.47 -2.32 0.16 0.00 -0.55 0.00 0.00 66.41 63.24 2kcz h THR 67 Cb 1.17 2.32 -0.29 0.00 -1.73 0.00 0.00 68.15 69.63 2kcz h THR 67 CO 0.72 0.70 0.50 0.00 -0.25 0.00 0.00 175.52 177.18 2kcz s ALA 68 N -3.37 -2.54 -0.42 6.62 0.00 -1.20 -5.04 121.76 115.81 2kcz s ALA 68 Ca -0.07 2.08 0.03 0.00 0.00 0.00 0.00 51.96 54.00 2kcz s ALA 68 Cb 0.09 -1.89 0.12 0.00 0.00 0.00 0.00 23.12 21.43 2kcz s ALA 68 CO 0.88 -0.46 0.17 0.34 0.00 0.00 0.00 175.76 176.69 2kcz s ASP 69 N 1.44 4.21 -0.06 0.00 2.15 -1.26 -0.97 116.67 122.18 2kcz s ASP 69 Ca -0.07 -2.47 -0.02 0.00 0.43 0.00 0.00 52.55 50.41 2kcz s ASP 69 Cb -0.03 -1.35 -0.04 0.00 -0.30 0.00 0.00 42.92 41.20 2kcz s ASP 69 CO -0.14 -0.31 0.07 -1.61 -0.17 0.00 0.00 175.17 173.02 2kcz s GLU 70 N 0.49 3.13 -0.53 4.34 2.02 -1.02 -5.00 118.70 122.14 2kcz s GLU 70 Ca 0.14 -0.37 -0.26 0.00 0.02 0.00 0.00 54.97 54.50 2kcz s GLU 70 Cb -0.22 -2.92 -0.08 0.00 0.10 0.00 0.00 34.13 31.01 2kcz s GLU 70 CO -0.06 0.70 2.43 -2.30 0.02 0.00 0.00 175.26 176.05 2kcz n PRO 71 N 1.67 0.96 -3.61 0.39 -0.02 -1.26 -2.49 135.00 130.65 2kcz n PRO 71 Ca -0.16 -0.07 -0.24 0.00 -2.02 0.00 0.00 63.50 61.01 2kcz n PRO 71 Cb 0.54 -3.40 0.08 0.00 -0.02 0.00 0.00 33.50 30.70 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 6.09 -0.53 0.05 -1.23 0.00 -1.26 -4.89 105.19 103.41 2kcz n GLY 72 Ca 0.39 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -4.93 0.00 -4.04 1.61 5.02 -1.04 -4.90 118.16 109.88 2kcz n LYS 73 Ca -0.01 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.11 2kcz n LYS 73 Cb 0.57 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.42 2kcz n LYS 73 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2kcz s ARG 74 N -0.03 0.45 -0.26 1.97 1.70 -1.26 -1.30 118.95 120.23 2kcz s ARG 74 Ca 0.00 -0.04 0.03 0.00 -0.47 0.00 0.00 55.73 55.25 2kcz s ARG 74 Cb 0.00 -0.53 0.06 0.00 -0.57 0.00 0.00 34.95 33.91 2kcz s ARG 74 CO 0.00 -0.05 -0.11 0.42 -1.08 0.00 0.00 175.30 174.48 2kcz s ILE 75 N 0.66 2.13 -0.21 4.99 -1.09 0.66 -2.42 121.20 125.92 2kcz s ILE 75 Ca -0.07 -1.59 0.01 0.00 -2.23 0.00 0.00 60.65 56.77 2kcz s ILE 75 Cb -0.11 -2.23 0.03 0.00 -1.58 0.00 0.00 42.46 38.57 2kcz s ILE 75 CO -0.01 -0.02 -0.16 0.00 -1.23 0.00 0.00 174.94 173.53 2kcz s ALA 76 N 1.13 2.44 0.42 9.38 0.00 -0.14 0.26 121.76 135.24 2kcz s ALA 76 Ca -0.08 -1.38 -0.03 0.00 0.00 0.00 0.00 51.96 50.46 2kcz s ALA 76 Cb -0.20 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 2kcz s ALA 76 CO -0.05 -0.61 0.69 -1.58 0.00 0.00 0.00 175.76 174.21 2kcz s TRP 77 N 1.25 3.54 0.24 0.00 0.52 -0.85 -2.64 118.94 121.00 2kcz s TRP 77 Ca 0.01 0.65 -0.21 0.00 0.02 0.00 0.00 56.10 56.57 2kcz s TRP 77 Cb -0.15 -2.16 0.06 0.00 -1.15 0.00 0.00 33.47 30.07 2kcz s TRP 77 CO -0.10 -0.11 0.92 0.50 0.02 0.00 0.00 176.95 178.18 2kcz s ARG 78 N -4.51 1.57 0.26 4.98 6.06 -1.24 -4.62 118.95 121.45 2kcz s ARG 78 Ca 0.45 -0.97 0.02 0.00 -2.50 0.00 0.00 55.73 52.73 2kcz s ARG 78 Cb -0.10 0.47 -0.04 0.00 0.06 0.00 0.00 34.95 35.34 2kcz s ARG 78 CO 0.41 -0.73 0.16 0.45 -2.50 0.00 0.00 175.30 173.09 2kcz s SER 79 N -3.15 0.99 0.33 -2.12 0.15 -1.20 -4.19 113.70 104.51 2kcz s SER 79 Ca 0.17 -1.51 -0.26 0.00 0.70 0.00 0.00 55.95 55.05 2kcz s SER 79 Cb -0.03 0.39 -0.10 0.00 -1.71 0.00 0.00 66.02 64.57 2kcz s SER 79 CO 0.06 -0.88 0.97 -0.76 1.20 0.00 0.00 173.24 173.83 2kcz s LEU 80 N -3.28 4.33 0.34 3.45 1.43 -1.26 -4.68 118.68 119.00 2kcz s LEU 80 Ca 0.38 1.89 0.05 0.00 -1.03 0.00 0.00 54.13 55.42 2kcz s LEU 80 Cb 0.06 -4.01 0.69 0.00 0.03 0.00 0.00 46.19 42.95 2kcz s LEU 80 CO 0.17 -0.13 1.91 -0.65 0.23 0.00 0.00 176.35 177.88 2kcz h PRO 81 N 3.13 0.81 0.00 1.29 0.11 -1.88 0.27 132.00 135.74 2kcz h PRO 81 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2kcz h PRO 81 Cb 1.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2kcz h PRO 81 CO 0.65 0.54 0.00 0.78 -0.21 0.00 0.00 178.00 179.75 2kcz h GLY 82 N 0.83 0.00 0.00 -0.55 0.00 -1.93 -3.33 103.07 98.09 2kcz h GLY 82 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2kcz h GLY 82 CO -0.16 0.00 -0.60 0.00 0.00 0.00 0.00 176.54 175.78 2kcz n ALA 83 N -1.89 0.53 -3.20 3.60 0.00 0.51 -4.81 120.51 115.25 2kcz n ALA 83 Ca 0.02 -0.55 0.04 0.00 0.00 0.00 0.00 53.44 52.95 2kcz n ALA 83 Cb 0.27 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 2kcz n ALA 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kcz s ARG 84 N -2.23 0.08 0.00 0.00 3.52 0.66 -5.01 118.95 115.98 2kcz s ARG 84 Ca -0.17 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 2kcz s ARG 84 Cb 0.02 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.53 2kcz s ARG 84 CO 0.26 -0.04 0.00 0.44 -0.81 0.00 0.00 175.30 175.15 2kcz n ILE 85 N 4.84 0.00 -0.96 4.11 -6.64 -1.26 -4.20 119.36 115.25 2kcz n ILE 85 Ca -0.07 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.91 2kcz n ILE 85 Cb 0.55 -0.30 0.00 0.00 -1.44 0.00 0.00 39.64 38.45 2kcz n ILE 85 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2kcz n GLU 86 N -0.20 -0.68 -2.42 6.28 -0.58 -1.26 -4.98 120.64 116.80 2kcz n GLU 86 Ca 0.00 0.17 -0.42 0.00 -0.42 0.00 0.00 57.16 56.49 2kcz n GLU 86 Cb 0.00 -3.74 -0.03 0.00 -0.57 0.00 0.00 31.44 27.09 2kcz n GLU 86 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2kcz s ASN 87 N -2.11 7.10 -0.16 1.62 3.84 -1.26 -5.02 114.94 118.95 2kcz s ASN 87 Ca 0.00 2.07 -0.02 0.00 0.21 0.00 0.00 52.86 55.12 2kcz s ASN 87 Cb 0.00 -2.59 -0.02 0.00 -0.55 0.00 0.00 41.25 38.10 2kcz s ASN 87 CO 0.00 -0.42 -0.08 -0.55 -2.79 0.00 0.00 177.10 173.26 2kcz s SER 88 N 0.72 4.27 -0.31 -4.21 0.15 -1.26 -4.91 113.70 108.14 2kcz s SER 88 Ca 0.56 -0.30 -0.05 0.00 0.70 0.00 0.00 55.95 56.86 2kcz s SER 88 Cb -0.30 -1.69 0.26 0.00 -1.71 0.00 0.00 66.02 62.59 2kcz s SER 88 CO 0.31 0.11 1.26 0.61 1.20 0.00 0.00 173.24 176.74 2kcz n GLY 89 N 3.89 -1.98 3.48 9.45 0.00 -1.25 -4.38 105.19 114.40 2kcz n GLY 89 Ca -0.18 1.20 -0.39 0.00 0.00 0.00 0.00 46.02 46.65 2kcz n GLY 89 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kcz s GLU 90 N 0.25 3.47 -0.21 1.61 2.12 -1.24 -2.00 118.70 122.70 2kcz s GLU 90 Ca 0.25 -0.63 -0.09 0.00 0.36 0.00 0.00 54.97 54.86 2kcz s GLU 90 Cb 0.19 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2kcz s GLU 90 CO -0.07 -0.38 0.10 0.08 -0.54 0.00 0.00 175.26 174.45 2kcz s VAL 91 N 1.66 4.94 -0.22 3.70 1.01 0.14 -3.13 120.40 128.50 2kcz s VAL 91 Ca 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 2kcz s VAL 91 Cb -0.17 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 2kcz s VAL 91 CO 0.08 0.40 -0.02 -0.76 0.00 0.00 0.00 175.10 174.80 2kcz s LEU 92 N 0.82 3.04 -0.30 3.92 2.01 0.13 -0.25 118.68 128.06 2kcz s LEU 92 Ca 0.05 -0.33 -0.14 0.00 0.01 0.00 0.00 54.13 53.72 2kcz s LEU 92 Cb -0.13 -1.78 -0.03 0.00 0.01 0.00 0.00 46.19 44.25 2kcz s LEU 92 CO 0.02 -0.01 0.31 -0.36 1.01 0.00 0.00 176.35 177.33 2kcz s PHE 93 N 1.42 3.23 0.05 0.29 0.08 -0.42 -0.28 117.98 122.35 2kcz s PHE 93 Ca 0.05 0.14 0.08 0.00 0.12 0.00 0.00 56.93 57.32 2kcz s PHE 93 Cb -0.14 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.73 2kcz s PHE 93 CO -0.01 -0.29 -0.22 1.03 -0.10 0.00 0.00 175.22 175.63 2kcz s ARG 94 N 1.95 1.43 -0.03 0.44 0.52 0.01 -4.77 118.95 118.50 2kcz s ARG 94 Ca 0.11 -1.00 -0.31 0.00 -0.52 0.00 0.00 55.73 54.01 2kcz s ARG 94 Cb -0.16 -1.58 -0.10 0.00 0.52 0.00 0.00 34.95 33.63 2kcz s ARG 94 CO 0.11 0.40 1.98 -2.30 0.02 0.00 0.00 175.30 175.50 2kcz n PRO 95 N 1.74 2.57 -2.94 3.54 -0.02 -1.26 -0.63 135.00 137.99 2kcz n PRO 95 Ca -0.17 0.92 -0.37 0.00 -2.02 0.00 0.00 63.50 61.86 2kcz n PRO 95 Cb 0.53 -2.91 -0.06 0.00 -0.02 0.00 0.00 33.50 31.03 2kcz n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kcz s ALA 96 N 4.73 3.33 0.22 3.55 0.00 -1.21 -4.82 121.76 127.56 2kcz s ALA 96 Ca 0.92 0.35 -0.32 0.00 0.00 0.00 0.00 51.96 52.91 2kcz s ALA 96 Cb -0.51 -3.00 -0.12 0.00 0.00 0.00 0.00 23.12 19.49 2kcz s ALA 96 CO 0.45 0.26 1.69 -2.14 0.00 0.00 0.00 175.76 176.01 2kcz s PRO 97 N -1.93 4.13 0.00 0.00 0.02 -1.26 -1.84 135.00 134.12 2kcz s PRO 97 Ca 0.45 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.06 2kcz s PRO 97 Cb -0.18 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2kcz s PRO 97 CO 0.23 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 2kcz n GLY 98 N 3.61 0.90 2.91 0.52 0.00 -1.26 -3.74 105.19 108.13 2kcz n GLY 98 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 0.49 -0.91 0.13 4.61 0.00 -0.77 -4.87 120.51 119.19 2kcz n ALA 99 Ca 0.00 0.24 0.06 0.00 0.00 0.00 0.00 53.44 53.74 2kcz n ALA 99 Cb 0.00 -3.41 0.52 0.00 0.00 0.00 0.00 19.45 16.56 2kcz n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kcz h ARG 100 N -1.04 0.26 0.00 0.00 2.47 -1.75 -3.48 114.38 110.84 2kcz h ARG 100 Ca -0.51 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.19 2kcz h ARG 100 Cb 1.36 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 2kcz h ARG 100 CO 0.56 0.19 0.00 0.41 0.56 0.00 0.00 179.97 181.70 2kcz n GLY 101 N -1.45 -0.75 3.19 0.04 0.00 -1.26 -4.34 105.19 100.62 2kcz n GLY 101 Ca -0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.14 1.91 -0.21 2.61 2.01 -1.16 -3.33 115.64 114.33 2kcz s THR 102 Ca 0.00 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.77 2kcz s THR 102 Cb 0.00 -1.65 -0.00 0.00 0.01 0.00 0.00 72.50 70.85 2kcz s THR 102 CO 0.00 0.53 1.19 -0.70 -0.69 0.00 0.00 174.62 174.95 2kcz s GLU 103 N 0.33 4.20 -0.46 4.92 2.12 0.20 -3.14 118.70 126.87 2kcz s GLU 103 Ca -0.17 1.50 -0.16 0.00 0.36 0.00 0.00 54.97 56.50 2kcz s GLU 103 Cb -0.17 -3.74 0.06 0.00 0.26 0.00 0.00 34.13 30.54 2kcz s GLU 103 CO 0.08 -0.74 0.40 0.54 -0.54 0.00 0.00 175.26 175.00 2kcz s VAL 104 N 3.51 5.19 -0.44 3.70 0.11 0.94 -0.80 120.40 132.60 2kcz s VAL 104 Ca 0.51 -0.86 -0.21 0.00 -2.93 0.00 0.00 61.98 58.50 2kcz s VAL 104 Cb -0.19 -4.10 0.02 0.00 -1.53 0.00 0.00 36.38 30.59 2kcz s VAL 104 CO 0.13 -0.54 0.65 -0.69 -3.33 0.00 0.00 175.10 171.32 2kcz s VAL 105 N 1.80 4.82 -0.21 2.04 1.01 0.62 -2.89 120.40 127.60 2kcz s VAL 105 Ca 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 2kcz s VAL 105 Cb -0.22 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 2kcz s VAL 105 CO 0.08 -0.61 -0.05 -0.69 0.00 0.00 0.00 175.10 173.83 2kcz s VAL 106 N 2.83 3.35 -0.35 2.92 1.01 -1.19 -0.69 120.40 128.27 2kcz s VAL 106 Ca 0.23 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2kcz s VAL 106 Cb -0.14 -2.51 0.08 0.00 0.00 0.00 0.00 36.38 33.81 2kcz s VAL 106 CO 0.19 0.44 0.10 -0.60 0.00 0.00 0.00 175.10 175.23 2kcz s ARG 107 N 1.31 2.19 -0.18 2.72 3.00 -1.18 -3.77 118.95 123.03 2kcz s ARG 107 Ca 0.04 -1.55 0.01 0.00 -1.00 0.00 0.00 55.73 53.22 2kcz s ARG 107 Cb -0.14 -3.38 0.02 0.00 0.00 0.00 0.00 34.95 31.44 2kcz s ARG 107 CO -0.02 -0.85 -0.18 -0.48 0.00 0.00 0.00 175.30 173.77 2kcz s LEU 108 N 1.19 2.22 -0.22 -0.88 2.34 -1.18 -3.63 118.68 118.52 2kcz s LEU 108 Ca 0.02 -0.61 -0.08 0.00 0.06 0.00 0.00 54.13 53.52 2kcz s LEU 108 Cb -0.21 -1.51 -0.04 0.00 -0.56 0.00 0.00 46.19 43.87 2kcz s LEU 108 CO -0.03 0.01 0.09 -0.89 -1.06 0.00 0.00 176.35 174.47 2kcz s THR 109 N 1.27 4.79 0.33 5.48 2.01 -1.26 -3.81 115.64 124.45 2kcz s THR 109 Ca 0.04 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 2kcz s THR 109 Cb -0.13 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 2kcz s THR 109 CO -0.11 0.38 0.41 -0.72 -0.69 0.00 0.00 174.62 173.90 2kcz s TYR 110 N 0.98 1.19 0.05 4.92 1.13 -1.26 -4.53 117.35 119.83 2kcz s TYR 110 Ca 0.05 -1.35 -0.09 0.00 -1.41 0.00 0.00 57.07 54.26 2kcz s TYR 110 Cb -0.14 -0.24 0.00 0.00 -1.10 0.00 0.00 41.96 40.49 2kcz s TYR 110 CO 0.03 -1.04 0.19 -0.98 -2.51 0.00 0.00 175.55 171.24 2kcz s ARG 111 N -3.25 0.71 0.77 -3.49 1.70 -1.26 -4.91 118.95 109.22 2kcz s ARG 111 Ca 0.33 -0.68 -0.14 0.00 -0.47 0.00 0.00 55.73 54.78 2kcz s ARG 111 Cb 0.01 0.29 0.06 0.00 -0.57 0.00 0.00 34.95 34.74 2kcz s ARG 111 CO 0.21 -0.21 1.18 -2.14 -1.08 0.00 0.00 175.30 173.26 2kcz s PRO 112 N -2.74 1.97 0.00 3.89 0.02 -1.26 -4.89 135.00 131.99 2kcz s PRO 112 Ca -0.04 1.64 0.07 0.00 0.02 0.00 0.00 61.00 62.69 2kcz s PRO 112 Cb -0.00 -1.83 0.44 0.00 0.02 0.00 0.00 34.50 33.13 2kcz s PRO 112 CO -0.05 -1.94 0.88 -2.30 -0.33 0.00 0.00 177.00 173.26 2kcz n PRO 113 N -3.08 0.47 0.00 5.54 -0.02 -1.26 -4.37 135.00 132.29 2kcz n PRO 113 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2kcz n PRO 113 Cb 0.51 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 2kcz n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kcz n GLY 114 N -0.04 -0.09 0.00 -1.23 0.00 -1.26 -5.05 105.19 97.52 2kcz n GLY 114 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.99 -0.66 0.27 -0.02 0.00 -1.26 -4.94 105.19 97.60 2kcz n GLY 115 Ca 0.00 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 0.00 0.41 1.61 0.02 -2.00 -0.45 113.55 113.14 2kcz h SER 116 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2kcz h SER 116 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kcz h SER 116 CO 0.00 0.03 -0.08 0.00 -1.14 0.00 0.00 176.83 175.63 2kcz h ALA 117 N 1.97 1.20 0.00 3.77 0.00 -2.00 -2.50 119.26 121.71 2kcz h ALA 117 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2kcz h ALA 117 Cb 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kcz h ALA 117 CO 0.00 0.10 -0.04 0.78 0.00 0.00 0.00 179.25 180.10 2kcz h GLY 118 N 0.89 0.00 1.01 0.00 0.00 -1.47 -2.79 103.07 100.72 2kcz h GLY 118 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2kcz h GLY 118 CO 0.01 0.00 -0.50 0.00 0.00 0.00 0.00 176.54 176.05 2kcz h ALA 119 N 1.96 0.33 0.03 3.60 0.00 -1.61 -2.90 119.26 120.67 2kcz h ALA 119 Ca -0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 2kcz h ALA 119 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kcz h ALA 119 CO 0.00 0.51 -0.99 -0.39 0.00 0.00 0.00 179.25 178.38 2kcz h VAL 120 N 0.40 1.43 -0.13 0.00 -1.51 -1.69 -3.13 116.25 111.62 2kcz h VAL 120 Ca -0.01 -2.58 0.01 0.00 -1.23 0.00 0.00 66.70 62.90 2kcz h VAL 120 Cb 1.12 2.52 -0.01 0.00 -2.13 0.00 0.00 31.29 32.79 2kcz h VAL 120 CO 0.11 0.76 0.09 0.40 -1.23 0.00 0.00 177.57 177.70 2kcz h ILE 121 N 0.19 1.00 0.17 7.19 2.04 -1.53 -1.12 117.51 125.46 2kcz h ILE 121 Ca -0.09 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2kcz h ILE 121 Cb 1.64 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 2kcz h ILE 121 CO 0.17 0.02 -0.46 0.00 0.00 0.00 0.00 178.15 177.88 2kcz h ALA 122 N 1.93 -0.86 0.00 1.87 0.00 -1.45 -0.09 119.26 120.65 2kcz h ALA 122 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kcz h ALA 122 Cb 0.06 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kcz h ALA 122 CO -0.01 -1.05 0.00 0.07 0.00 0.00 0.00 179.25 178.26 2kcz h ARG 123 N -0.73 0.00 0.16 0.00 0.11 -1.62 -2.02 114.38 110.28 2kcz h ARG 123 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.08 2kcz h ARG 123 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 2kcz h ARG 123 CO -0.23 0.00 -0.08 0.52 0.10 0.00 0.00 179.97 180.28 2kcz h MET 124 N 0.00 -0.21 0.00 0.08 2.86 -0.68 -3.44 114.93 113.54 2kcz h MET 124 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2kcz h MET 124 Cb 0.83 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.54 2kcz h MET 124 CO 0.00 0.21 0.00 0.34 1.06 0.00 0.00 176.91 178.52 2kcz n PHE 125 N -4.95 0.00 -2.01 -0.22 7.35 -0.33 -5.08 117.46 112.22 2kcz n PHE 125 Ca -0.08 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.34 2kcz n PHE 125 Cb 0.27 0.02 0.18 0.00 0.35 0.00 0.00 39.48 40.30 2kcz n PHE 125 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2kcz n ASN 126 N 0.00 0.33 0.10 -2.13 5.15 -0.20 -4.99 115.26 113.52 2kcz n ASN 126 Ca 0.00 -1.58 -0.14 0.00 -0.60 0.00 0.00 54.58 52.26 2kcz n ASN 126 Cb 0.14 -0.89 -0.08 0.00 -0.53 0.00 0.00 39.78 38.43 2kcz n ASN 126 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2kcz h GLN 127 N 0.00 -0.62 -5.28 1.20 7.50 -1.89 -3.43 115.11 112.59 2kcz h GLN 127 Ca -0.39 0.04 -0.01 0.00 0.50 0.00 0.00 58.65 58.80 2kcz h GLN 127 Cb 1.12 0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.80 2kcz h GLN 127 CO 0.30 -0.42 -0.86 -1.91 -1.50 0.00 0.00 178.83 174.44 2kcz n GLU 128 N -5.46 -2.99 -1.10 1.46 4.07 -1.25 -4.79 120.64 110.58 2kcz n GLU 128 Ca -0.07 2.48 -0.39 0.00 -0.06 0.00 0.00 57.16 59.12 2kcz n GLU 128 Cb 0.38 -5.18 -0.04 0.00 -0.06 0.00 0.00 31.44 26.54 2kcz n GLU 128 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2kcz n PRO 129 N 0.42 1.74 -1.76 5.31 -0.02 -1.26 -4.33 135.00 135.10 2kcz n PRO 129 Ca 0.03 -1.81 -0.20 0.00 -2.02 0.00 0.00 63.50 59.50 2kcz n PRO 129 Cb 0.18 -2.84 -0.07 0.00 -0.02 0.00 0.00 33.50 30.75 2kcz n PRO 129 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kcz n SER 130 N 6.63 -5.44 -1.76 2.55 7.64 -1.26 -0.99 113.62 121.00 2kcz n SER 130 Ca 0.49 0.40 -0.20 0.00 1.01 0.00 0.00 58.87 60.57 2kcz n SER 130 Cb 0.34 -4.76 -0.06 0.00 -1.01 0.00 0.00 64.21 58.72 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 -2.48 -1.45 -4.32 1.43 6.02 -1.26 -4.96 117.38 110.36 2kcz n GLN 131 Ca -0.21 1.13 -0.17 0.00 -0.01 0.00 0.00 57.00 57.75 2kcz n GLN 131 Cb 0.67 -5.56 -0.10 0.00 1.02 0.00 0.00 30.24 26.27 2kcz n GLN 131 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2kcz s GLN 132 N -4.08 1.43 0.02 -1.09 -2.07 -0.16 -5.17 119.66 108.54 2kcz s GLN 132 Ca 0.00 -1.78 0.02 0.00 -1.82 0.00 0.00 55.36 51.78 2kcz s GLN 132 Cb 0.00 -0.22 -0.02 0.00 -1.09 0.00 0.00 33.01 31.68 2kcz s GLN 132 CO 0.00 -0.32 -0.06 -0.51 -1.32 0.00 0.00 175.29 173.08 2kcz s LEU 133 N -3.32 2.16 0.00 2.60 1.43 -1.26 -4.67 118.68 115.63 2kcz s LEU 133 Ca 0.38 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2kcz s LEU 133 Cb 0.07 -0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.12 2kcz s LEU 133 CO 0.14 -0.11 0.00 0.54 0.23 0.00 0.00 176.35 177.15 2kcz n ARG 134 N 2.04 0.00 0.18 1.70 1.74 -1.26 -4.30 116.66 116.75 2kcz n ARG 134 Ca -0.19 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.92 2kcz n ARG 134 Cb 0.56 0.00 0.33 0.00 -1.02 0.00 0.00 32.46 32.33 2kcz n ARG 134 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 2kcz h ASP 135 N 0.00 0.00 0.14 0.55 2.03 -1.99 -1.20 116.42 115.96 2kcz h ASP 135 Ca 0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 2kcz h ASP 135 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2kcz h ASP 135 CO 0.00 0.42 -0.17 -0.78 -1.03 0.00 0.00 179.24 177.68 2kcz h ASP 136 N 0.00 0.05 0.55 4.15 3.58 -1.86 -1.85 116.42 121.03 2kcz h ASP 136 Ca -0.00 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 2kcz h ASP 136 Cb 0.82 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 2kcz h ASP 136 CO 0.06 0.23 -0.24 0.25 -2.88 0.00 0.00 179.24 176.65 2kcz h LEU 137 N 0.05 0.00 -1.32 2.28 5.85 -1.56 -0.30 115.31 120.32 2kcz h LEU 137 Ca 0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 2kcz h LEU 137 Cb 0.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2kcz h LEU 137 CO 0.02 0.24 -0.34 0.24 -0.34 0.00 0.00 178.44 178.27 2kcz h MET 138 N 0.00 0.01 0.10 1.25 2.86 -1.25 -2.49 114.93 115.40 2kcz h MET 138 Ca -0.00 -0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.37 2kcz h MET 138 Cb 0.58 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.25 2kcz h MET 138 CO 0.03 0.34 -1.16 0.00 1.06 0.00 0.00 176.91 177.18 2kcz h ARG 139 N 0.01 0.35 -0.19 1.72 3.08 -1.05 -3.22 114.38 115.08 2kcz h ARG 139 Ca -0.00 -0.51 0.03 0.00 0.07 0.00 0.00 59.98 59.57 2kcz h ARG 139 Cb 0.60 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 2kcz h ARG 139 CO 0.04 1.20 0.03 0.35 -1.07 0.00 0.00 179.97 180.53 2kcz h PHE 140 N 0.14 0.05 -0.84 3.04 3.57 -0.94 -2.27 116.94 119.68 2kcz h PHE 140 Ca -0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2kcz h PHE 140 Cb 1.85 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 40.56 2kcz h PHE 140 CO 0.07 0.01 0.55 1.57 -2.23 0.00 0.00 178.31 178.27 2kcz h LYS 141 N 0.10 1.12 -0.45 1.11 2.10 -1.53 -2.02 116.57 117.00 2kcz h LYS 141 Ca 0.09 -0.08 -0.04 0.00 -2.00 0.00 0.00 60.65 58.63 2kcz h LYS 141 Cb 0.09 -0.25 -0.02 0.00 -0.90 0.00 0.00 32.23 31.15 2kcz h LYS 141 CO -0.13 0.75 0.14 -0.09 -2.00 0.00 0.00 179.45 178.13 2kcz h ARG 142 N 1.15 0.70 -0.03 0.07 2.43 -1.46 -1.35 114.38 115.89 2kcz h ARG 142 Ca 0.31 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2kcz h ARG 142 Cb -0.11 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2kcz h ARG 142 CO -0.06 0.68 -0.26 0.93 -1.51 0.00 0.00 179.97 179.75 2kcz h GLU 143 N 0.59 0.05 -0.20 0.20 5.08 -1.11 -0.79 114.58 118.40 2kcz h GLU 143 Ca 0.15 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2kcz h GLU 143 Cb 0.27 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kcz h GLU 143 CO -0.00 0.30 0.02 1.96 -1.00 0.00 0.00 179.01 180.29 2kcz h GLN 144 N 0.04 0.33 -0.00 2.33 4.20 -0.57 -2.41 115.11 119.04 2kcz h GLN 144 Ca 0.01 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2kcz h GLN 144 Cb 0.48 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2kcz h GLN 144 CO 0.03 0.50 -0.02 -0.85 -0.67 0.00 0.00 178.83 177.83 2kcz n GLU 145 N -4.73 0.07 -0.03 1.46 0.28 -0.60 -2.53 120.64 114.56 2kcz n GLU 145 Ca -0.04 -0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.79 2kcz n GLU 145 Cb 0.20 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.50 2kcz n GLU 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2kcz h LEU 146 N 0.01 0.85 0.00 -1.84 3.38 -0.89 -3.49 115.31 113.33 2kcz h LEU 146 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2kcz h LEU 146 Cb 0.47 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2kcz h LEU 146 CO 0.00 1.34 0.00 0.61 0.09 0.00 0.00 178.44 180.48 2kcz n GLY 147 N 0.68 0.05 0.46 0.83 0.00 -0.93 -4.85 105.19 101.43 2kcz n GLY 147 Ca -0.07 -1.55 -0.00 0.00 0.00 0.00 0.00 46.02 44.40 2kcz n GLY 147 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kcz n LEU 148 N -0.64 0.15 -0.09 0.99 0.00 -1.26 -4.92 117.00 111.23 2kcz n LEU 148 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 56.01 55.91 2kcz n LEU 148 Cb 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 43.42 43.02 2kcz n LEU 148 CO 0.00 -0.50 -1.12 1.21 0.00 0.00 0.00 177.39 176.98 2kcz n GLU 149 N -2.64 0.81 -3.83 1.96 2.13 -1.26 -4.88 120.64 112.93 2kcz n GLU 149 Ca -0.01 0.08 -0.35 0.00 0.66 0.00 0.00 57.16 57.53 2kcz n GLU 149 Cb 0.03 -1.41 -0.12 0.00 0.27 0.00 0.00 31.44 30.20 2kcz n GLU 149 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2kcz s HIS 150 N -2.40 3.53 -0.66 4.31 3.76 -1.26 -5.01 115.29 117.55 2kcz s HIS 150 Ca -0.21 -2.33 0.04 0.00 -0.15 0.00 0.00 55.06 52.41 2kcz s HIS 150 Cb 0.06 -2.90 0.16 0.00 1.11 0.00 0.00 32.58 31.01 2kcz s HIS 150 CO 0.53 -0.92 0.44 -1.58 -0.85 0.00 0.00 174.74 172.36 2kcz s HIS 151 N 1.15 3.48 -0.29 1.40 2.46 -1.26 -4.80 115.29 117.43 2kcz s HIS 151 Ca 0.05 -3.27 -0.20 0.00 0.47 0.00 0.00 55.06 52.11 2kcz s HIS 151 Cb -0.22 -2.78 0.13 0.00 -0.13 0.00 0.00 32.58 29.59 2kcz s HIS 151 CO -0.04 -0.61 0.99 -3.38 -2.47 0.00 0.00 174.74 169.22 2kcz s HIS 152 N -1.10 -0.55 -0.65 3.88 -3.43 -1.26 -5.11 115.29 107.06 2kcz s HIS 152 Ca 0.23 1.20 -0.27 0.00 -0.80 0.00 0.00 55.06 55.41 2kcz s HIS 152 Cb -0.11 0.37 0.02 0.00 -1.43 0.00 0.00 32.58 31.43 2kcz s HIS 152 CO -0.12 -0.27 1.36 -1.58 -2.00 0.00 0.00 174.74 172.14 2kcz s HIS 153 N 0.86 2.28 -1.49 0.38 2.46 -1.26 -4.82 115.29 113.69 2kcz s HIS 153 Ca -0.04 0.27 0.23 0.00 0.47 0.00 0.00 55.06 55.99 2kcz s HIS 153 Cb -0.04 -4.49 0.15 0.00 -0.13 0.00 0.00 32.58 28.07 2kcz s HIS 153 CO -0.11 -1.99 1.17 -2.39 -2.47 0.00 0.00 174.74 168.95 2kcz n HIS 154 N 9.62 0.00 -1.59 3.88 -0.00 -1.26 -5.25 115.22 120.61 2kcz n HIS 154 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 2kcz n HIS 154 Cb 0.49 -0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.42 2kcz n HIS 154 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92