#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kz4 s ASN 2 N 0.00 6.32 -1.02 3.17 2.47 -1.26 -4.99 114.94 119.62 2kz4 s ASN 2 Ca 0.00 -0.44 -0.17 0.00 0.42 0.00 0.00 52.86 52.67 2kz4 s ASN 2 Cb 0.00 -2.34 0.14 0.00 -1.45 0.00 0.00 41.25 37.60 2kz4 s ASN 2 CO 0.00 -0.89 1.24 -0.63 -3.72 0.00 0.00 177.10 173.09 2kz4 s ILE 3 N 3.01 4.77 -0.33 -5.21 -1.09 -1.26 -4.92 121.20 116.17 2kz4 s ILE 3 Ca 0.23 -1.85 -0.06 0.00 -2.23 0.00 0.00 60.65 56.74 2kz4 s ILE 3 Cb -0.15 -4.83 -0.16 0.00 -1.58 0.00 0.00 42.46 35.74 2kz4 s ILE 3 CO 0.18 -1.56 3.31 0.61 -1.23 0.00 0.00 174.94 176.24 2kz4 n GLY 4 N 5.16 3.54 0.00 6.18 0.00 -1.26 -3.70 105.19 115.11 2kz4 n GLY 4 Ca 0.28 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2kz4 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kz4 n ARG 5 N 2.20 0.64 -2.19 1.61 5.12 -1.26 -5.02 116.66 117.77 2kz4 n ARG 5 Ca 0.49 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 56.10 2kz4 n ARG 5 Cb 0.73 -0.84 -0.05 0.00 -1.16 0.00 0.00 32.46 31.15 2kz4 n ARG 5 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kz4 s LEU 6 N -4.03 3.25 0.00 0.55 1.43 -1.24 -4.65 118.68 113.99 2kz4 s LEU 6 Ca 0.00 -1.45 0.21 0.00 -1.03 0.00 0.00 54.13 51.87 2kz4 s LEU 6 Cb 0.00 -2.58 -0.26 0.00 0.03 0.00 0.00 46.19 43.39 2kz4 s LEU 6 CO 0.00 -2.54 0.57 0.54 0.23 0.00 0.00 176.35 175.15 2kz4 n ARG 7 N 8.54 0.65 -2.92 1.70 1.74 -1.10 -4.74 116.66 120.54 2kz4 n ARG 7 Ca 0.43 -0.10 -0.14 0.00 -0.77 0.00 0.00 57.85 57.27 2kz4 n ARG 7 Cb 0.47 -1.59 -0.01 0.00 -1.02 0.00 0.00 32.46 30.30 2kz4 n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2kz4 n ASP 8 N -2.42 2.21 -4.01 0.55 8.00 -0.22 -4.99 116.55 115.67 2kz4 n ASP 8 Ca -0.06 -1.99 -0.10 0.00 0.71 0.00 0.00 54.79 53.35 2kz4 n ASP 8 Cb 0.63 0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.69 2kz4 n ASP 8 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kz4 s ARG 9 N -3.00 0.39 0.19 -1.24 0.52 -1.20 -1.37 118.95 113.25 2kz4 s ARG 9 Ca 0.08 -0.70 -0.01 0.00 -0.52 0.00 0.00 55.73 54.59 2kz4 s ARG 9 Cb -0.01 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.44 2kz4 s ARG 9 CO 0.05 -0.03 0.11 0.96 0.02 0.00 0.00 175.30 176.41 2kz4 s ILE 10 N -1.66 0.09 -0.02 1.52 -4.36 -0.95 -1.16 121.20 114.66 2kz4 s ILE 10 Ca -0.12 -1.98 0.04 0.00 -0.26 0.00 0.00 60.65 58.33 2kz4 s ILE 10 Cb -0.08 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.20 2kz4 s ILE 10 CO -0.01 -0.10 -0.14 -0.89 0.24 0.00 0.00 174.94 174.03 2kz4 s THR 11 N -4.09 1.14 -0.86 8.37 2.01 0.46 -1.86 115.64 120.82 2kz4 s THR 11 Ca 0.36 -0.61 -0.19 0.00 0.31 0.00 0.00 61.69 61.56 2kz4 s THR 11 Cb 0.07 -0.96 0.12 0.00 0.01 0.00 0.00 72.50 71.74 2kz4 s THR 11 CO 0.10 0.33 1.07 -0.63 -0.69 0.00 0.00 174.62 174.80 2kz4 s ILE 12 N -0.23 4.67 -0.66 1.82 -1.09 -0.94 -1.48 121.20 123.29 2kz4 s ILE 12 Ca 0.03 -1.34 -0.26 0.00 -2.23 0.00 0.00 60.65 56.85 2kz4 s ILE 12 Cb -0.07 -4.74 -0.01 0.00 -1.58 0.00 0.00 42.46 36.06 2kz4 s ILE 12 CO -0.00 -1.47 1.76 -1.10 -1.23 0.00 0.00 174.94 172.90 2kz4 s GLN 13 N 2.89 2.73 0.15 2.79 1.11 0.14 -0.68 119.66 128.79 2kz4 s GLN 13 Ca 0.29 0.37 -0.25 0.00 0.01 0.00 0.00 55.36 55.79 2kz4 s GLN 13 Cb -0.08 -4.42 -0.08 0.00 -1.01 0.00 0.00 33.01 27.42 2kz4 s GLN 13 CO -0.05 -2.68 0.77 0.95 0.01 0.00 0.00 175.29 174.29 2kz4 s THR 14 N 8.53 4.41 -0.57 -0.19 -4.23 -0.42 -0.88 115.64 122.29 2kz4 s THR 14 Ca 0.62 1.69 -0.28 0.00 -1.18 0.00 0.00 61.69 62.53 2kz4 s THR 14 Cb -0.11 -4.13 0.02 0.00 1.34 0.00 0.00 72.50 69.62 2kz4 s THR 14 CO 0.18 0.51 1.30 -0.22 -0.54 0.00 0.00 174.62 175.85 2kz4 s LEU 15 N -1.04 3.42 -0.29 4.79 2.96 -1.24 -1.26 118.68 126.02 2kz4 s LEU 15 Ca 0.36 0.19 -0.20 0.00 -0.22 0.00 0.00 54.13 54.26 2kz4 s LEU 15 Cb -0.23 -3.11 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 2kz4 s LEU 15 CO 0.26 -1.60 0.61 -0.75 -1.32 0.00 0.00 176.35 173.56 2kz4 s LYS 16 N 5.23 3.94 -0.90 1.98 2.20 0.27 -4.92 119.74 127.55 2kz4 s LYS 16 Ca 0.47 0.32 -0.25 0.00 -0.36 0.00 0.00 55.97 56.16 2kz4 s LYS 16 Cb -0.09 -3.71 0.04 0.00 -1.51 0.00 0.00 37.83 32.56 2kz4 s LYS 16 CO 0.25 -0.53 1.38 -0.65 -0.36 0.00 0.00 175.35 175.44 2kz4 s GLN 17 N 2.56 3.42 -0.41 4.03 -0.21 -1.26 -0.77 119.66 127.01 2kz4 s GLN 17 Ca 0.25 -0.74 -0.21 0.00 0.02 0.00 0.00 55.36 54.68 2kz4 s GLN 17 Cb -0.15 -4.85 0.02 0.00 1.00 0.00 0.00 33.01 29.03 2kz4 s GLN 17 CO 0.11 -2.19 0.67 0.99 -2.12 0.00 0.00 175.29 172.75 2kz4 s THR 18 N 5.32 4.82 0.34 -0.19 2.01 -0.23 -4.88 115.64 122.82 2kz4 s THR 18 Ca 0.41 0.32 -0.11 0.00 0.31 0.00 0.00 61.69 62.62 2kz4 s THR 18 Cb -0.03 -4.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 2kz4 s THR 18 CO 0.01 -0.53 0.69 -0.60 -0.69 0.00 0.00 174.62 173.50 2kz4 s ARG 19 N 2.87 3.81 0.32 4.92 3.52 -1.26 -0.78 118.95 132.35 2kz4 s ARG 19 Ca 0.24 0.41 0.08 0.00 -0.13 0.00 0.00 55.73 56.33 2kz4 s ARG 19 Cb -0.14 -2.48 -0.03 0.00 -1.56 0.00 0.00 34.95 30.74 2kz4 s ARG 19 CO 0.18 0.11 0.23 0.34 -0.81 0.00 0.00 175.30 175.35 2kz4 s ASP 20 N -2.82 5.16 0.00 -2.12 2.15 -0.43 -4.94 116.67 113.66 2kz4 s ASP 20 Ca 0.50 -0.53 0.19 0.00 0.43 0.00 0.00 52.55 53.15 2kz4 s ASP 20 Cb -0.10 -0.98 1.11 0.00 -0.30 0.00 0.00 42.92 42.65 2kz4 s ASP 20 CO 0.26 -0.28 1.56 0.00 -0.17 0.00 0.00 175.17 176.54 2kz4 n ILE 21 N -1.27 0.10 0.58 4.11 3.06 -1.26 -1.30 119.36 123.37 2kz4 n ILE 21 Ca -0.03 0.02 0.11 0.00 -2.50 0.00 0.00 62.75 60.35 2kz4 n ILE 21 Cb 0.60 -0.72 -0.10 0.00 0.54 0.00 0.00 39.64 39.96 2kz4 n ILE 21 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2kz4 n THR 22 N -1.06 0.04 -0.98 9.51 -2.24 -1.26 -4.99 114.28 113.29 2kz4 n THR 22 Ca 0.13 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2kz4 n THR 22 Cb 0.08 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 2kz4 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kz4 n GLY 23 N 1.39 0.93 3.90 3.38 0.00 -0.42 -5.12 105.19 109.26 2kz4 n GLY 23 Ca 0.01 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 2kz4 n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kz4 s GLU 24 N -1.91 3.57 -0.37 1.61 2.02 -1.25 -4.89 118.70 117.48 2kz4 s GLU 24 Ca 0.00 -0.18 -0.07 0.00 0.02 0.00 0.00 54.97 54.74 2kz4 s GLU 24 Cb 0.00 -2.91 0.06 0.00 0.10 0.00 0.00 34.13 31.37 2kz4 s GLU 24 CO 0.00 0.52 0.17 0.42 0.02 0.00 0.00 175.26 176.39 2kz4 s ILE 25 N -1.59 3.95 -0.50 -1.63 -1.09 -1.26 -1.32 121.20 117.76 2kz4 s ILE 25 Ca 0.38 -1.28 -0.17 0.00 -2.23 0.00 0.00 60.65 57.36 2kz4 s ILE 25 Cb -0.12 -3.34 0.08 0.00 -1.58 0.00 0.00 42.46 37.50 2kz4 s ILE 25 CO 0.25 -0.34 0.49 -0.76 -1.23 0.00 0.00 174.94 173.35 2kz4 s LEU 26 N 1.40 5.59 -0.08 2.97 1.02 0.04 -4.92 118.68 124.70 2kz4 s LEU 26 Ca 0.01 -1.35 -0.29 0.00 0.02 0.00 0.00 54.13 52.52 2kz4 s LEU 26 Cb -0.21 -2.25 -0.02 0.00 0.02 0.00 0.00 46.19 43.74 2kz4 s LEU 26 CO 0.02 -0.77 0.98 -1.61 0.02 0.00 0.00 176.35 174.99 2kz4 s GLU 27 N 1.91 4.45 0.21 1.70 2.02 -1.26 -1.07 118.70 126.66 2kz4 s GLU 27 Ca 0.07 1.37 0.05 0.00 0.02 0.00 0.00 54.97 56.47 2kz4 s GLU 27 Cb -0.24 -3.52 -0.02 0.00 0.10 0.00 0.00 34.13 30.44 2kz4 s GLU 27 CO 0.07 -0.25 0.17 0.25 0.02 0.00 0.00 175.26 175.53 2kz4 n THR 28 N 4.39 0.00 -3.91 3.63 -2.24 0.05 -4.97 114.28 111.23 2kz4 n THR 28 Ca 0.08 -1.54 -0.29 0.00 -2.27 0.00 0.00 64.05 60.03 2kz4 n THR 28 Cb 0.49 0.76 -0.16 0.00 -2.10 0.00 0.00 70.33 69.32 2kz4 n THR 28 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2kz4 s TRP 29 N -2.84 1.85 0.00 4.78 0.52 -1.26 -0.56 118.94 121.43 2kz4 s TRP 29 Ca 0.25 -1.19 -0.05 0.00 0.02 0.00 0.00 56.10 55.13 2kz4 s TRP 29 Cb 0.01 -1.38 -0.04 0.00 -1.15 0.00 0.00 33.47 30.90 2kz4 s TRP 29 CO 0.17 -0.64 0.23 -1.83 0.02 0.00 0.00 176.95 174.90 2kz4 s GLU 30 N 1.58 3.51 0.17 4.98 -1.05 -0.39 -4.92 118.70 122.59 2kz4 s GLU 30 Ca 0.00 -0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 54.34 2kz4 s GLU 30 Cb -0.15 -3.08 -0.07 0.00 -0.44 0.00 0.00 34.13 30.38 2kz4 s GLU 30 CO -0.08 0.66 0.99 0.16 0.95 0.00 0.00 175.26 177.94 2kz4 s ASP 31 N -1.81 7.49 0.00 0.83 -4.77 -1.26 -1.30 116.67 115.84 2kz4 s ASP 31 Ca 0.28 1.93 0.00 0.00 -3.30 0.00 0.00 52.55 51.45 2kz4 s ASP 31 Cb -0.13 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 2kz4 s ASP 31 CO 0.17 -0.03 0.00 0.61 0.70 0.00 0.00 175.17 176.62 2kz4 n GLY 32 N 1.92 0.33 3.58 2.12 0.00 0.14 -4.90 105.19 108.38 2kz4 n GLY 32 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2kz4 n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kz4 s HIS 33 N 1.95 3.07 -0.52 1.61 3.76 -1.26 -4.85 115.29 119.05 2kz4 s HIS 33 Ca 0.00 -0.07 -0.17 0.00 -0.15 0.00 0.00 55.06 54.67 2kz4 s HIS 33 Cb 0.00 -1.88 0.09 0.00 1.11 0.00 0.00 32.58 31.90 2kz4 s HIS 33 CO 0.00 0.19 0.52 0.99 -0.85 0.00 0.00 174.74 175.59 2kz4 s THR 34 N -0.18 5.09 0.40 1.30 2.01 -1.26 -2.22 115.64 120.77 2kz4 s THR 34 Ca 0.04 -1.06 0.08 0.00 0.31 0.00 0.00 61.69 61.05 2kz4 s THR 34 Cb -0.13 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2kz4 s THR 34 CO 0.02 -0.80 0.23 -1.48 -0.69 0.00 0.00 174.62 171.91 2kz4 s LEU 35 N 2.01 3.25 -0.05 4.42 2.34 -0.78 -4.91 118.68 124.96 2kz4 s LEU 35 Ca 0.07 -0.89 -0.30 0.00 0.06 0.00 0.00 54.13 53.07 2kz4 s LEU 35 Cb -0.25 -1.71 -0.05 0.00 -0.56 0.00 0.00 46.19 43.62 2kz4 s LEU 35 CO 0.07 -0.52 1.48 0.26 -1.06 0.00 0.00 176.35 176.57 2kz4 s TRP 36 N -2.51 2.52 0.23 3.48 0.52 -1.26 -2.25 118.94 119.66 2kz4 s TRP 36 Ca 0.42 0.61 0.00 0.00 0.02 0.00 0.00 56.10 57.16 2kz4 s TRP 36 Cb 0.00 -3.74 -0.04 0.00 -1.15 0.00 0.00 33.47 28.55 2kz4 s TRP 36 CO 0.24 -2.87 0.17 0.00 0.02 0.00 0.00 176.95 174.52 2kz4 s ALA 37 N 3.22 1.27 -0.37 0.98 0.00 -0.47 -4.37 121.76 122.02 2kz4 s ALA 37 Ca 0.66 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.87 2kz4 s ALA 37 Cb -0.30 1.40 0.12 0.00 0.00 0.00 0.00 23.12 24.33 2kz4 s ALA 37 CO 0.25 -0.61 0.17 -1.12 0.00 0.00 0.00 175.76 174.45 2kz4 s SER 38 N -3.20 3.76 -0.79 0.00 0.01 0.40 -1.06 113.70 112.82 2kz4 s SER 38 Ca 0.39 -2.12 -0.19 0.00 1.31 0.00 0.00 55.95 55.33 2kz4 s SER 38 Cb 0.06 -0.89 0.12 0.00 0.21 0.00 0.00 66.02 65.51 2kz4 s SER 38 CO 0.15 -0.34 0.97 0.54 0.41 0.00 0.00 173.24 174.97 2kz4 s VAL 39 N 1.01 4.74 -0.21 3.43 0.11 -1.26 -1.48 120.40 126.74 2kz4 s VAL 39 Ca 0.14 -1.27 -0.03 0.00 -2.93 0.00 0.00 61.98 57.89 2kz4 s VAL 39 Cb -0.21 -4.67 -0.00 0.00 -1.53 0.00 0.00 36.38 29.97 2kz4 s VAL 39 CO -0.11 -1.38 -0.07 0.20 -3.33 0.00 0.00 175.10 170.41 2kz4 s ASN 40 N 3.51 4.07 0.48 3.54 0.01 -0.29 -4.74 114.94 121.51 2kz4 s ASN 40 Ca 0.25 -0.46 -0.20 0.00 -0.71 0.00 0.00 52.86 51.74 2kz4 s ASN 40 Cb -0.12 -1.69 -0.09 0.00 0.41 0.00 0.00 41.25 39.77 2kz4 s ASN 40 CO -0.02 -0.02 1.01 -0.04 -1.51 0.00 0.00 177.10 176.52 2kz4 s MET 41 N 1.44 3.89 0.10 -0.60 -1.94 -1.26 -0.68 119.30 120.25 2kz4 s MET 41 Ca 0.05 1.26 -0.26 0.00 -1.71 0.00 0.00 55.69 55.03 2kz4 s MET 41 Cb -0.14 -2.12 -0.06 0.00 2.01 0.00 0.00 34.83 34.52 2kz4 s MET 41 CO -0.05 -0.34 0.80 0.14 -0.01 0.00 0.00 175.02 175.56 2kz4 s VAL 42 N -2.11 4.56 0.70 -6.03 -7.23 0.21 -4.88 120.40 105.63 2kz4 s VAL 42 Ca 0.65 1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 62.52 2kz4 s VAL 42 Cb -0.14 -4.16 0.14 0.00 0.56 0.00 0.00 36.38 32.79 2kz4 s VAL 42 CO 0.20 0.41 0.96 -0.24 -0.31 0.00 0.00 175.10 176.12 2kz4 n SER 43 N 2.39 1.04 0.03 4.85 2.88 -1.26 -3.77 113.62 119.78 2kz4 n SER 43 Ca -0.03 -1.94 0.04 0.00 -1.33 0.00 0.00 58.87 55.62 2kz4 n SER 43 Cb 0.49 -0.65 0.44 0.00 -0.75 0.00 0.00 64.21 63.74 2kz4 n SER 43 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2kz4 h SER 44 N -0.72 0.41 -0.99 -3.46 4.64 -1.99 -2.23 113.55 109.21 2kz4 h SER 44 Ca -0.32 -0.02 0.13 0.00 -0.47 0.00 0.00 61.79 61.12 2kz4 h SER 44 Cb 1.11 -0.10 -0.09 0.00 -0.31 0.00 0.00 62.40 63.01 2kz4 h SER 44 CO 0.32 0.32 0.61 0.07 -0.87 0.00 0.00 176.83 177.28 2kz4 h LYS 45 N 0.48 0.90 -0.24 4.77 2.10 -1.99 -1.52 116.57 121.07 2kz4 h LYS 45 Ca 0.13 -0.05 -0.11 0.00 -2.00 0.00 0.00 60.65 58.61 2kz4 h LYS 45 Cb -0.01 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.12 2kz4 h LYS 45 CO -0.02 0.60 -0.29 0.93 -2.00 0.00 0.00 179.45 178.66 2kz4 h GLU 46 N 0.93 0.62 -0.20 0.07 4.39 -1.77 -0.99 114.58 117.63 2kz4 h GLU 46 Ca 0.51 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2kz4 h GLU 46 Cb 0.56 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2kz4 h GLU 46 CO -0.29 0.95 0.06 0.00 -1.16 0.00 0.00 179.01 178.57 2kz4 h ALA 47 N 0.66 1.74 -0.08 3.43 0.00 -1.39 -1.60 119.26 122.01 2kz4 h ALA 47 Ca 0.03 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2kz4 h ALA 47 Cb 0.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2kz4 h ALA 47 CO 0.07 0.21 -0.36 0.82 0.00 0.00 0.00 179.25 179.99 2kz4 h ILE 48 N 0.27 1.40 -0.55 0.00 2.04 -1.09 -1.26 117.51 118.33 2kz4 h ILE 48 Ca 0.07 -1.74 -0.05 0.00 1.00 0.00 0.00 64.86 64.15 2kz4 h ILE 48 Cb 0.10 2.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 2kz4 h ILE 48 CO -0.00 0.51 0.15 0.28 0.00 0.00 0.00 178.15 179.09 2kz4 h SER 49 N -0.06 0.77 0.03 1.72 0.02 -0.86 -3.19 113.55 111.98 2kz4 h SER 49 Ca -0.02 -0.13 -0.19 0.00 -0.84 0.00 0.00 61.79 60.61 2kz4 h SER 49 Cb 1.01 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 2kz4 h SER 49 CO 0.08 0.74 -0.99 0.77 -1.14 0.00 0.00 176.83 176.29 2kz4 h SER 50 N 0.81 0.09 0.00 3.07 4.64 -1.42 -3.50 113.55 117.24 2kz4 h SER 50 Ca 0.18 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2kz4 h SER 50 Cb 0.26 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2kz4 h SER 50 CO -0.01 1.40 0.00 0.61 -0.87 0.00 0.00 176.83 177.97 2kz4 n GLY 51 N 1.56 2.52 0.00 -0.77 0.00 -0.48 -4.53 105.19 103.49 2kz4 n GLY 51 Ca -0.25 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2kz4 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kz4 n ALA 52 N 0.00 0.00 0.02 4.61 0.00 -1.26 -4.77 120.51 119.11 2kz4 n ALA 52 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2kz4 n ALA 52 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kz4 n ALA 52 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kz4 h GLU 53 N 0.00 -0.06 -6.14 0.00 4.81 -1.89 -3.42 114.58 107.88 2kz4 h GLU 53 Ca 0.00 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.66 2kz4 h GLU 53 Cb 0.22 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 2kz4 h GLU 53 CO 0.00 -0.04 0.87 -0.51 -0.73 0.00 0.00 179.01 178.60 2kz4 s LEU 54 N -4.54 4.12 0.04 1.64 1.43 -1.26 -5.04 118.68 115.07 2kz4 s LEU 54 Ca -0.01 1.53 0.05 0.00 -1.03 0.00 0.00 54.13 54.67 2kz4 s LEU 54 Cb 0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 2kz4 s LEU 54 CO 0.03 -0.76 -0.10 0.00 0.23 0.00 0.00 176.35 175.75 2kz4 s ALA 55 N 3.47 2.91 -0.03 4.21 0.00 -1.26 -3.83 121.76 127.23 2kz4 s ALA 55 Ca 0.51 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 2kz4 s ALA 55 Cb -0.19 -0.98 -0.08 0.00 0.00 0.00 0.00 23.12 21.87 2kz4 s ALA 55 CO 0.12 0.61 1.98 0.42 0.00 0.00 0.00 175.76 178.90 2kz4 s ILE 56 N -1.04 3.08 0.00 0.00 1.01 -1.26 -1.04 121.20 121.95 2kz4 s ILE 56 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2kz4 s ILE 56 Cb -0.11 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.29 2kz4 s ILE 56 CO 0.09 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2kz4 n GLY 57 N 4.75 1.41 3.77 6.18 0.00 -1.25 -5.06 105.19 115.00 2kz4 n GLY 57 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2kz4 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kz4 s THR 58 N -2.02 2.95 -0.15 2.61 2.01 -0.21 -3.05 115.64 117.79 2kz4 s THR 58 Ca 0.00 0.69 -0.00 0.00 0.31 0.00 0.00 61.69 62.69 2kz4 s THR 58 Cb 0.00 -3.34 0.04 0.00 0.01 0.00 0.00 72.50 69.21 2kz4 s THR 58 CO 0.00 -0.03 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.15 2kz4 s VAL 59 N -1.54 1.12 -0.14 3.82 1.01 -0.08 -0.62 120.40 123.96 2kz4 s VAL 59 Ca 0.66 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 2kz4 s VAL 59 Cb -0.30 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2kz4 s VAL 59 CO 0.36 0.19 0.68 -0.13 0.00 0.00 0.00 175.10 176.20 2kz4 s ARG 60 N 1.64 4.32 -0.29 2.72 0.52 0.14 -0.81 118.95 127.19 2kz4 s ARG 60 Ca 0.02 0.77 0.02 0.00 -0.52 0.00 0.00 55.73 56.02 2kz4 s ARG 60 Cb -0.15 -3.52 0.08 0.00 0.52 0.00 0.00 34.95 31.89 2kz4 s ARG 60 CO -0.08 -0.11 -0.00 0.42 0.02 0.00 0.00 175.30 175.54 2kz4 s ILE 61 N 1.44 1.82 -0.30 1.52 1.01 -0.52 -1.14 121.20 125.04 2kz4 s ILE 61 Ca 0.33 -1.73 -0.20 0.00 0.00 0.00 0.00 60.65 59.05 2kz4 s ILE 61 Cb -0.17 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 2kz4 s ILE 61 CO 0.13 -0.35 0.61 0.26 0.00 0.00 0.00 174.94 175.60 2kz4 s TRP 62 N 1.19 3.23 0.18 3.97 0.52 -0.55 -0.90 118.94 126.59 2kz4 s TRP 62 Ca 0.02 0.60 0.05 0.00 0.02 0.00 0.00 56.10 56.79 2kz4 s TRP 62 Cb -0.19 -2.94 -0.05 0.00 -1.15 0.00 0.00 33.47 29.14 2kz4 s TRP 62 CO -0.09 -0.44 -0.09 0.96 0.02 0.00 0.00 176.95 177.31 2kz4 s ILE 63 N 2.56 1.27 0.40 2.03 -4.36 -0.95 -0.45 121.20 121.70 2kz4 s ILE 63 Ca 0.25 -2.09 -0.27 0.00 -0.26 0.00 0.00 60.65 58.28 2kz4 s ILE 63 Cb -0.15 -2.01 -0.10 0.00 1.25 0.00 0.00 42.46 41.45 2kz4 s ILE 63 CO 0.11 -0.62 1.45 -0.13 0.24 0.00 0.00 174.94 176.00 2kz4 s ARG 64 N -3.75 3.95 0.16 0.37 0.52 -1.26 -0.75 118.95 118.19 2kz4 s ARG 64 Ca 0.21 2.49 -0.34 0.00 -0.52 0.00 0.00 55.73 57.57 2kz4 s ARG 64 Cb 0.03 -2.85 -0.15 0.00 0.52 0.00 0.00 34.95 32.50 2kz4 s ARG 64 CO 0.04 -0.63 1.47 0.98 0.02 0.00 0.00 175.30 177.18 2kz4 n TYR 65 N 0.21 2.03 -3.68 -0.53 4.19 -1.25 -4.40 117.16 113.73 2kz4 n TYR 65 Ca 0.03 0.40 -0.15 0.00 3.31 0.00 0.00 57.90 61.49 2kz4 n TYR 65 Cb 0.40 -2.47 -0.08 0.00 0.49 0.00 0.00 39.34 37.69 2kz4 n TYR 65 CO 0.00 0.00 0.00 -0.98 0.91 0.00 0.00 176.86 176.79 2kz4 s ARG 66 N 0.53 0.74 0.00 2.98 1.70 -1.26 -4.94 118.95 118.70 2kz4 s ARG 66 Ca 0.78 0.17 0.28 0.00 -0.47 0.00 0.00 55.73 56.49 2kz4 s ARG 66 Cb -0.75 0.34 1.48 0.00 -0.57 0.00 0.00 34.95 35.46 2kz4 s ARG 66 CO 0.43 -0.19 1.97 1.63 -1.08 0.00 0.00 175.30 178.06 2kz4 n LYS 67 N 1.62 1.22 0.01 3.89 4.76 -1.26 -4.16 118.16 124.24 2kz4 n LYS 67 Ca -0.19 -0.32 -0.02 0.00 -2.87 0.00 0.00 58.31 54.91 2kz4 n LYS 67 Cb 0.56 -1.45 -0.10 0.00 -1.84 0.00 0.00 35.03 32.20 2kz4 n LYS 67 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2kz4 n ASP 68 N -0.58 0.82 -4.72 4.39 2.03 -1.26 -4.88 116.55 112.36 2kz4 n ASP 68 Ca 0.21 0.37 -0.42 0.00 0.52 0.00 0.00 54.79 55.47 2kz4 n ASP 68 Cb 0.18 0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.71 2kz4 n ASP 68 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kz4 s ILE 69 N -2.84 4.12 0.29 5.18 -1.09 -1.26 -5.05 121.20 120.55 2kz4 s ILE 69 Ca -0.04 1.62 0.05 0.00 -2.23 0.00 0.00 60.65 60.05 2kz4 s ILE 69 Cb 0.08 -4.03 -0.06 0.00 -1.58 0.00 0.00 42.46 36.87 2kz4 s ILE 69 CO 0.82 0.18 0.01 0.21 -1.23 0.00 0.00 174.94 174.92 2kz4 s ASN 70 N 0.64 2.43 0.56 3.58 3.84 -1.26 -4.87 114.94 119.85 2kz4 s ASN 70 Ca 0.54 -1.28 0.34 0.00 0.21 0.00 0.00 52.86 52.67 2kz4 s ASN 70 Cb -0.28 -0.10 1.44 0.00 -0.55 0.00 0.00 41.25 41.76 2kz4 s ASN 70 CO 0.31 -0.50 2.01 0.00 -2.79 0.00 0.00 177.10 176.13 2kz4 h ALA 71 N 2.23 1.00 -0.06 1.71 0.00 -1.95 -2.08 119.26 120.11 2kz4 h ALA 71 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kz4 h ALA 71 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kz4 h ALA 71 CO 0.68 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.18 2kz4 n THR 72 N -3.08 0.08 -3.34 0.00 -2.24 -1.26 -4.75 114.28 99.69 2kz4 n THR 72 Ca 0.00 -0.16 -0.24 0.00 -2.27 0.00 0.00 64.05 61.38 2kz4 n THR 72 Cb 0.29 0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 2kz4 n THR 72 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kz4 s SER 73 N -1.69 6.30 0.21 3.42 0.01 -0.78 -3.72 113.70 117.45 2kz4 s SER 73 Ca 0.34 0.48 0.03 0.00 1.31 0.00 0.00 55.95 58.11 2kz4 s SER 73 Cb 0.17 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 64.30 2kz4 s SER 73 CO 0.27 -0.31 -0.01 -0.13 0.41 0.00 0.00 173.24 173.48 2kz4 s ARG 74 N -4.31 1.27 -0.40 12.44 0.52 -0.06 -4.33 118.95 124.08 2kz4 s ARG 74 Ca 0.40 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 2kz4 s ARG 74 Cb -0.10 -0.53 0.11 0.00 0.52 0.00 0.00 34.95 34.96 2kz4 s ARG 74 CO 0.36 -0.10 0.16 0.42 0.02 0.00 0.00 175.30 176.16 2kz4 s ILE 75 N -3.48 2.90 -0.44 1.52 -1.09 -0.49 -0.68 121.20 119.44 2kz4 s ILE 75 Ca 0.27 -2.26 -0.21 0.00 -2.23 0.00 0.00 60.65 56.23 2kz4 s ILE 75 Cb 0.06 -3.03 0.02 0.00 -1.58 0.00 0.00 42.46 37.93 2kz4 s ILE 75 CO 0.07 -0.67 0.64 -0.75 -1.23 0.00 0.00 174.94 173.00 2kz4 s LYS 76 N 0.94 3.28 -0.19 2.79 2.20 -0.55 -0.47 119.74 127.75 2kz4 s LYS 76 Ca 0.10 -0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 55.04 2kz4 s LYS 76 Cb -0.21 -3.95 -0.02 0.00 -1.51 0.00 0.00 37.83 32.14 2kz4 s LYS 76 CO -0.05 -1.00 1.41 0.08 -0.36 0.00 0.00 175.35 175.42 2kz4 s VAL 77 N 2.80 4.02 -0.22 4.02 1.01 -0.83 -0.40 120.40 130.80 2kz4 s VAL 77 Ca 0.22 1.20 0.23 0.00 0.00 0.00 0.00 61.98 63.63 2kz4 s VAL 77 Cb -0.14 -3.88 0.27 0.00 0.00 0.00 0.00 36.38 32.62 2kz4 s VAL 77 CO 0.19 -0.23 1.65 0.28 0.00 0.00 0.00 175.10 176.99 2kz4 h SER 78 N 9.16 0.00 -2.79 3.32 0.02 -1.43 -2.15 113.55 119.68 2kz4 h SER 78 Ca -0.30 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.74 2kz4 h SER 78 Cb 1.12 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.40 2kz4 h SER 78 CO 0.99 0.15 0.36 0.28 -1.14 0.00 0.00 176.83 177.46 2kz4 s THR 79 N -3.28 0.00 -5.00 -2.27 -1.32 -1.09 -4.89 115.64 97.80 2kz4 s THR 79 Ca 0.05 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 2kz4 s THR 79 Cb 0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 2kz4 s THR 79 CO 0.66 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.68 2kz4 n GLY 80 N 3.35 -0.14 0.15 6.08 0.00 -1.26 -3.23 105.19 110.13 2kz4 n GLY 80 Ca -0.17 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 44.54 2kz4 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kz4 h PRO 81 N 1.12 0.00 -0.04 1.61 0.13 -2.00 -3.13 132.00 129.70 2kz4 h PRO 81 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2kz4 h PRO 81 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2kz4 h PRO 81 CO 0.00 0.00 -0.41 1.28 -0.23 0.00 0.00 178.00 178.64 2kz4 n LEU 82 N -2.47 2.82 -4.63 1.56 4.77 -1.26 -5.05 117.00 112.74 2kz4 n LEU 82 Ca 0.04 -3.81 -0.43 0.00 -0.03 0.00 0.00 56.01 51.78 2kz4 n LEU 82 Cb 0.38 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 2kz4 n LEU 82 CO 0.28 1.32 1.55 0.00 -1.33 0.00 0.00 177.39 179.21 2kz4 s ALA 83 N -3.20 3.23 0.00 -1.18 0.00 -1.19 -1.59 121.76 117.84 2kz4 s ALA 83 Ca 0.38 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2kz4 s ALA 83 Cb 0.36 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2kz4 s ALA 83 CO -0.05 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.07 2kz4 n GLY 84 N 4.88 0.63 3.68 0.00 0.00 -0.81 -4.97 105.19 108.61 2kz4 n GLY 84 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 2kz4 n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kz4 s ARG 85 N -0.71 2.82 -0.72 1.61 0.52 -0.62 -4.96 118.95 116.89 2kz4 s ARG 85 Ca 0.00 -0.57 -0.05 0.00 -0.52 0.00 0.00 55.73 54.58 2kz4 s ARG 85 Cb 0.00 -2.69 0.19 0.00 0.52 0.00 0.00 34.95 32.96 2kz4 s ARG 85 CO 0.00 0.64 0.58 0.54 0.02 0.00 0.00 175.30 177.08 2kz4 s VAL 86 N -1.05 4.29 0.23 3.52 0.11 -1.26 -1.97 120.40 124.27 2kz4 s VAL 86 Ca 0.18 -3.01 -0.31 0.00 -2.93 0.00 0.00 61.98 55.91 2kz4 s VAL 86 Cb -0.11 -3.73 -0.11 0.00 -1.53 0.00 0.00 36.38 30.90 2kz4 s VAL 86 CO 0.09 -0.95 1.58 -0.76 -3.33 0.00 0.00 175.10 171.73 2kz4 s LEU 87 N -0.25 4.37 -0.14 2.54 2.01 0.38 -4.50 118.68 123.09 2kz4 s LEU 87 Ca 0.19 2.77 -0.15 0.00 0.01 0.00 0.00 54.13 56.96 2kz4 s LEU 87 Cb -0.16 -3.61 -0.05 0.00 0.01 0.00 0.00 46.19 42.38 2kz4 s LEU 87 CO -0.06 -0.86 0.34 0.20 1.01 0.00 0.00 176.35 176.98 2kz4 s ASN 88 N 0.82 6.51 0.03 2.29 0.01 -0.57 -1.39 114.94 122.63 2kz4 s ASN 88 Ca 0.67 0.60 -0.30 0.00 -0.71 0.00 0.00 52.86 53.11 2kz4 s ASN 88 Cb -0.46 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 2kz4 s ASN 88 CO 0.38 0.09 1.10 -0.63 -1.51 0.00 0.00 177.10 176.53 2kz4 s ILE 89 N 0.41 4.43 -0.40 0.60 1.01 -1.26 -1.44 121.20 124.55 2kz4 s ILE 89 Ca 0.19 1.74 -0.16 0.00 0.00 0.00 0.00 60.65 62.42 2kz4 s ILE 89 Cb -0.14 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.23 2kz4 s ILE 89 CO 0.06 0.13 0.40 0.27 0.00 0.00 0.00 174.94 175.80 2kz4 s ILE 90 N 1.06 5.13 0.00 2.92 -4.36 -1.09 -4.84 121.20 120.01 2kz4 s ILE 90 Ca 0.56 -0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.68 2kz4 s ILE 90 Cb -0.25 -3.97 0.00 0.00 1.25 0.00 0.00 42.46 39.49 2kz4 s ILE 90 CO 0.28 -0.32 0.00 0.61 0.24 0.00 0.00 174.94 175.76 2kz4 n GLY 91 N 5.07 1.30 3.53 6.27 0.00 -1.26 -4.79 105.19 115.32 2kz4 n GLY 91 Ca -0.08 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 2kz4 n GLY 91 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kz4 s GLN 92 N 0.00 0.77 0.06 1.61 -2.07 -1.26 -4.77 119.66 114.00 2kz4 s GLN 92 Ca 0.00 -0.07 -0.32 0.00 -1.82 0.00 0.00 55.36 53.15 2kz4 s GLN 92 Cb 0.00 0.36 -0.11 0.00 -1.09 0.00 0.00 33.01 32.17 2kz4 s GLN 92 CO 0.00 -0.29 1.85 -0.35 -1.32 0.00 0.00 175.29 175.18 2kz4 n PRO 93 N 0.25 2.62 -3.58 9.60 -0.04 -1.26 -4.72 135.00 137.87 2kz4 n PRO 93 Ca -0.11 0.96 -0.41 0.00 -0.04 0.00 0.00 63.50 63.91 2kz4 n PRO 93 Cb 0.60 -2.84 -0.11 0.00 -0.04 0.00 0.00 33.50 31.10 2kz4 n PRO 93 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2kz4 s LEU 94 N 3.23 4.66 0.67 1.53 1.98 -0.73 -4.98 118.68 125.04 2kz4 s LEU 94 Ca 0.85 -0.83 -0.14 0.00 -2.89 0.00 0.00 54.13 51.12 2kz4 s LEU 94 Cb -0.53 -2.06 0.01 0.00 0.66 0.00 0.00 46.19 44.27 2kz4 s LEU 94 CO 0.41 -0.35 1.10 -2.84 -1.89 0.00 0.00 176.35 172.79 2kz4 s PRO 95 N 1.61 2.74 0.65 0.98 0.02 -1.26 -0.87 135.00 138.86 2kz4 s PRO 95 Ca 0.03 1.34 -0.15 0.00 0.02 0.00 0.00 61.00 62.24 2kz4 s PRO 95 Cb -0.19 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.38 2kz4 s PRO 95 CO 0.08 -1.29 1.10 0.34 -0.33 0.00 0.00 177.00 176.89 2kz4 s ASP 96 N -2.75 5.25 0.25 2.53 2.15 -0.56 -4.80 116.67 118.73 2kz4 s ASP 96 Ca 0.66 1.95 -0.02 0.00 0.43 0.00 0.00 52.55 55.56 2kz4 s ASP 96 Cb -0.20 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.18 2kz4 s ASP 96 CO 0.44 -1.54 1.72 0.00 -0.17 0.00 0.00 175.17 175.62 2kz4 h ALA 97 N 0.07 1.04 -0.00 3.66 0.00 -1.96 -1.13 119.26 120.93 2kz4 h ALA 97 Ca -0.47 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2kz4 h ALA 97 Cb 1.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2kz4 h ALA 97 CO 0.55 0.59 -0.16 0.00 0.00 0.00 0.00 179.25 180.22 2kz4 n ALA 98 N -2.48 2.84 -1.88 0.00 0.00 -1.26 -4.95 120.51 112.78 2kz4 n ALA 98 Ca 0.01 -0.27 -0.20 0.00 0.00 0.00 0.00 53.44 52.99 2kz4 n ALA 98 Cb 0.35 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 2kz4 n ALA 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kz4 n ARG 99 N -1.09 -1.45 0.00 0.00 3.00 -0.43 -4.87 116.66 111.82 2kz4 n ARG 99 Ca 0.12 1.10 0.14 0.00 -0.01 0.00 0.00 57.85 59.19 2kz4 n ARG 99 Cb 0.30 -5.53 0.51 0.00 0.00 0.00 0.00 32.46 27.73 2kz4 n ARG 99 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2kz4 n THR 100 N -3.04 0.00 -3.54 0.55 5.66 -1.26 -4.75 114.28 107.90 2kz4 n THR 100 Ca -0.21 -0.05 -0.10 0.00 -3.05 0.00 0.00 64.05 60.64 2kz4 n THR 100 Cb 0.66 -0.01 -0.02 0.00 -1.55 0.00 0.00 70.33 69.41 2kz4 n THR 100 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kz4 s ARG 101 N -2.65 1.32 -0.22 1.09 1.04 -1.26 -3.89 118.95 114.37 2kz4 s ARG 101 Ca 0.23 -0.56 -0.02 0.00 -1.04 0.00 0.00 55.73 54.34 2kz4 s ARG 101 Cb 0.19 0.56 0.01 0.00 -2.04 0.00 0.00 34.95 33.67 2kz4 s ARG 101 CO 0.53 -0.59 -0.10 -1.17 -0.04 0.00 0.00 175.30 173.94 2kz4 s LEU 102 N -2.76 2.78 -0.54 -1.89 1.98 0.07 -1.50 118.68 116.82 2kz4 s LEU 102 Ca 0.04 -0.65 -0.22 0.00 -2.89 0.00 0.00 54.13 50.42 2kz4 s LEU 102 Cb -0.02 -1.63 0.05 0.00 0.66 0.00 0.00 46.19 45.25 2kz4 s LEU 102 CO -0.08 -0.05 0.79 -0.70 -1.89 0.00 0.00 176.35 174.42 2kz4 s GLU 103 N 1.36 3.22 -0.72 1.98 2.12 -0.05 -2.24 118.70 124.37 2kz4 s GLU 103 Ca 0.03 -0.60 -0.21 0.00 0.36 0.00 0.00 54.97 54.55 2kz4 s GLU 103 Cb -0.15 -4.09 0.09 0.00 0.26 0.00 0.00 34.13 30.24 2kz4 s GLU 103 CO -0.07 -1.38 0.99 0.42 -0.54 0.00 0.00 175.26 174.68 2kz4 s ILE 104 N 3.31 4.44 0.15 -3.70 -1.09 -0.08 -1.77 121.20 122.46 2kz4 s ILE 104 Ca 0.22 -0.68 -0.29 0.00 -2.23 0.00 0.00 60.65 57.68 2kz4 s ILE 104 Cb -0.16 -4.70 -0.07 0.00 -1.58 0.00 0.00 42.46 35.95 2kz4 s ILE 104 CO 0.15 -1.45 0.90 -1.48 -1.23 0.00 0.00 174.94 171.83 2kz4 s LEU 105 N 3.68 4.55 0.00 2.97 2.34 -1.26 -1.44 118.68 129.52 2kz4 s LEU 105 Ca 0.24 1.77 -0.03 0.00 0.06 0.00 0.00 54.13 56.17 2kz4 s LEU 105 Cb -0.15 -3.51 0.01 0.00 -0.56 0.00 0.00 46.19 41.99 2kz4 s LEU 105 CO 0.05 0.05 0.32 0.00 -1.06 0.00 0.00 176.35 175.71 2kz4 s ARG 107 N -2.34 1.07 0.34 0.00 3.03 -0.52 -0.91 118.95 119.62 2kz4 s ARG 107 Ca 0.14 -0.72 -0.29 0.00 2.03 0.00 0.00 55.73 56.90 2kz4 s ARG 107 Cb -0.01 0.47 -0.12 0.00 -1.03 0.00 0.00 34.95 34.26 2kz4 s ARG 107 CO 0.10 -0.42 1.48 -1.91 -1.13 0.00 0.00 175.30 173.42 2kz4 n GLU 108 N -0.22 2.55 -0.53 3.89 0.00 -1.17 -1.51 120.64 123.65 2kz4 n GLU 108 Ca -0.16 0.90 -0.10 0.00 0.00 0.00 0.00 57.16 57.80 2kz4 n GLU 108 Cb 0.64 -2.61 0.08 0.00 0.00 0.00 0.00 31.44 29.54 2kz4 n GLU 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kz4 n GLY 109 N 1.03 3.07 3.55 8.31 0.00 -1.26 -4.80 105.19 115.09 2kz4 n GLY 109 Ca 0.04 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 2kz4 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kz4 s ALA 110 N -1.43 2.18 -0.70 4.61 0.00 -1.26 -4.92 121.76 120.25 2kz4 s ALA 110 Ca 0.25 -0.79 -0.26 0.00 0.00 0.00 0.00 51.96 51.16 2kz4 s ALA 110 Cb 0.21 -4.32 -0.07 0.00 0.00 0.00 0.00 23.12 18.93 2kz4 s ALA 110 CO 0.05 -3.92 2.19 -1.21 0.00 0.00 0.00 175.76 172.86 2kz4 s GLU 111 N 6.92 2.16 0.00 0.00 2.02 -1.26 -5.23 118.70 123.31 2kz4 s GLU 111 Ca 0.65 0.57 0.00 0.00 0.02 0.00 0.00 54.97 56.21 2kz4 s GLU 111 Cb -0.12 -4.71 0.00 0.00 0.10 0.00 0.00 34.13 29.40 2kz4 s GLU 111 CO 0.18 -3.54 0.00 1.17 0.02 0.00 0.00 175.26 173.09