#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 6.28 -0.03 7.83 -0.87 -1.26 -4.96 114.94 121.94 2kz4 s ASN 2 Ca 0.00 0.32 0.17 0.00 -1.57 0.00 0.00 52.86 51.78 2kz4 s ASN 2 Cb 0.00 -2.20 0.52 0.00 -0.02 0.00 0.00 41.25 39.55 2kz4 s ASN 2 CO 0.00 -0.12 1.44 2.30 -2.57 0.00 0.00 177.10 178.15 2kz4 n ILE 3 N 4.78 1.22 -1.29 0.60 -6.64 -1.26 -4.76 119.36 112.01 2kz4 n ILE 3 Ca -0.09 -1.09 -0.33 0.00 -1.77 0.00 0.00 62.75 59.47 2kz4 n ILE 3 Cb 0.51 0.39 -0.06 0.00 -1.44 0.00 0.00 39.64 39.05 2kz4 n ILE 3 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2kz4 n GLY 4 N 1.01 4.06 3.77 3.28 0.00 -1.26 -4.96 105.19 111.08 2kz4 n GLY 4 Ca 0.20 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 2kz4 n GLY 4 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kz4 s ARG 5 N 1.68 4.02 -0.16 1.61 1.70 -1.26 -4.74 118.95 121.80 2kz4 s ARG 5 Ca 0.68 2.15 -0.29 0.00 -0.47 0.00 0.00 55.73 57.80 2kz4 s ARG 5 Cb 0.21 -2.79 -0.03 0.00 -0.57 0.00 0.00 34.95 31.77 2kz4 s ARG 5 CO -0.05 -0.45 1.53 -0.51 -1.08 0.00 0.00 175.30 174.74 2kz4 s LEU 6 N -2.35 4.09 0.00 -1.89 1.02 -1.26 -4.61 118.68 113.68 2kz4 s LEU 6 Ca 0.56 1.80 0.00 0.00 0.02 0.00 0.00 54.13 56.51 2kz4 s LEU 6 Cb -0.38 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.30 2kz4 s LEU 6 CO 0.49 -1.03 0.00 -2.11 0.02 0.00 0.00 176.35 173.72 2kz4 n ARG 7 N 7.23 3.11 -1.57 1.70 1.85 0.06 -4.86 116.66 124.18 2kz4 n ARG 7 Ca 0.17 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.96 2kz4 n ARG 7 Cb 0.44 -0.91 0.02 0.00 -1.05 0.00 0.00 32.46 30.96 2kz4 n ARG 7 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kz4 n ASP 8 N -1.69 0.61 -3.95 2.89 8.00 0.84 -4.94 116.55 118.32 2kz4 n ASP 8 Ca 0.00 -1.45 -0.10 0.00 0.71 0.00 0.00 54.79 53.95 2kz4 n ASP 8 Cb 0.38 -0.12 -0.12 0.00 -0.02 0.00 0.00 41.12 41.23 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 -2.77 0.22 0.05 -1.24 0.52 -1.01 -1.78 118.95 112.94 2kz4 s ARG 9 Ca 0.18 -0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 2kz4 s ARG 9 Cb -0.01 0.03 -0.02 0.00 0.52 0.00 0.00 34.95 35.46 2kz4 s ARG 9 CO 0.11 -0.02 -0.09 0.96 0.02 0.00 0.00 175.30 176.28 2kz4 s ILE 10 N -0.93 0.66 -0.19 1.52 -0.00 -0.84 -1.71 121.20 119.71 2kz4 s ILE 10 Ca -0.10 -1.11 -0.05 0.00 -0.00 0.00 0.00 60.65 59.39 2kz4 s ILE 10 Cb -0.06 -0.70 -0.03 0.00 -0.00 0.00 0.00 42.46 41.66 2kz4 s ILE 10 CO -0.01 -0.34 0.01 -0.89 -0.00 0.00 0.00 174.94 173.72 2kz4 s THR 11 N -1.33 4.12 -0.40 8.37 2.01 -0.21 -1.67 115.64 126.53 2kz4 s THR 11 Ca -0.08 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 2kz4 s THR 11 Cb -0.10 -2.86 0.01 0.00 0.01 0.00 0.00 72.50 69.57 2kz4 s THR 11 CO 0.01 0.44 1.33 -0.63 -0.69 0.00 0.00 174.62 175.08 2kz4 s ILE 12 N 0.83 4.02 -0.68 1.82 -1.09 -0.81 -2.49 121.20 122.80 2kz4 s ILE 12 Ca 0.01 1.07 -0.18 0.00 -2.23 0.00 0.00 60.65 59.32 2kz4 s ILE 12 Cb -0.14 -4.27 0.13 0.00 -1.58 0.00 0.00 42.46 36.60 2kz4 s ILE 12 CO 0.02 -0.74 0.77 -1.10 -1.23 0.00 0.00 174.94 172.67 2kz4 s GLN 13 N 4.65 3.23 0.40 2.79 -0.21 -0.34 -0.37 119.66 129.80 2kz4 s GLN 13 Ca 0.57 -1.61 -0.19 0.00 0.02 0.00 0.00 55.36 54.16 2kz4 s GLN 13 Cb -0.13 -4.40 -0.10 0.00 1.00 0.00 0.00 33.01 29.38 2kz4 s GLN 13 CO 0.30 -1.53 0.88 0.99 -2.12 0.00 0.00 175.29 173.81 2kz4 s THR 14 N 2.20 4.50 -0.70 -0.19 2.01 -0.53 -0.63 115.64 122.30 2kz4 s THR 14 Ca 0.16 1.28 -0.21 0.00 0.31 0.00 0.00 61.69 63.22 2kz4 s THR 14 Cb -0.19 -3.61 0.09 0.00 0.01 0.00 0.00 72.50 68.80 2kz4 s THR 14 CO 0.01 -0.29 0.95 -0.22 -0.69 0.00 0.00 174.62 174.38 2kz4 s LEU 15 N -3.16 4.65 -0.65 4.42 2.96 -0.89 -0.96 118.68 125.05 2kz4 s LEU 15 Ca 0.59 -1.24 -0.24 0.00 -0.22 0.00 0.00 54.13 53.02 2kz4 s LEU 15 Cb -0.09 -2.40 0.05 0.00 0.50 0.00 0.00 46.19 44.25 2kz4 s LEU 15 CO 0.15 -1.33 1.05 -0.75 -1.32 0.00 0.00 176.35 174.15 2kz4 s LYS 16 N 3.63 3.20 -1.07 1.98 2.20 0.95 -4.90 119.74 125.74 2kz4 s LYS 16 Ca 0.22 -0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 55.14 2kz4 s LYS 16 Cb -0.16 -4.17 0.12 0.00 -1.51 0.00 0.00 37.83 32.11 2kz4 s LYS 16 CO 0.06 -1.82 1.34 -0.65 -0.36 0.00 0.00 175.35 173.93 2kz4 s GLN 17 N 4.49 3.78 -0.18 4.03 -0.21 -1.26 -2.15 119.66 128.17 2kz4 s GLN 17 Ca 0.28 -1.90 -0.18 0.00 0.02 0.00 0.00 55.36 53.58 2kz4 s GLN 17 Cb -0.13 -5.11 -0.04 0.00 1.00 0.00 0.00 33.01 28.73 2kz4 s GLN 17 CO 0.14 -1.91 0.50 0.99 -2.12 0.00 0.00 175.29 172.89 2kz4 s THR 18 N 2.97 5.14 0.40 -0.19 2.01 -0.25 -4.74 115.64 120.99 2kz4 s THR 18 Ca 0.40 0.93 -0.23 0.00 0.31 0.00 0.00 61.69 63.11 2kz4 s THR 18 Cb -0.02 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.56 2kz4 s THR 18 CO -0.05 0.23 0.96 -0.60 -0.69 0.00 0.00 174.62 174.47 2kz4 s ARG 19 N 1.30 4.29 0.45 4.92 3.52 -1.26 -0.97 118.95 131.21 2kz4 s ARG 19 Ca 0.24 1.23 0.02 0.00 -0.13 0.00 0.00 55.73 57.09 2kz4 s ARG 19 Cb -0.15 -2.37 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2kz4 s ARG 19 CO 0.10 0.01 0.66 0.34 -0.81 0.00 0.00 175.30 175.60 2kz4 s ASP 20 N -1.96 5.74 0.07 -2.12 2.15 0.26 -4.89 116.67 115.93 2kz4 s ASP 20 Ca 0.59 0.14 0.09 0.00 0.43 0.00 0.00 52.55 53.80 2kz4 s ASP 20 Cb -0.13 -1.34 0.42 0.00 -0.30 0.00 0.00 42.92 41.56 2kz4 s ASP 20 CO 0.18 -0.75 1.28 0.00 -0.17 0.00 0.00 175.17 175.71 2kz4 n ILE 21 N -2.06 1.50 0.75 4.11 3.06 -1.26 -1.19 119.36 124.27 2kz4 n ILE 21 Ca 0.03 0.45 0.08 0.00 -2.50 0.00 0.00 62.75 60.80 2kz4 n ILE 21 Cb 0.58 -1.38 -0.04 0.00 0.54 0.00 0.00 39.64 39.34 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 -1.67 0.00 -1.29 9.51 -2.24 -1.26 -5.00 114.28 112.32 2kz4 n THR 22 Ca 0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2kz4 n THR 22 Cb 0.07 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.27 0.49 3.62 3.38 0.00 -0.33 -5.10 105.19 108.50 2kz4 n GLY 23 Ca 0.05 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.30 3.01 -0.67 1.61 2.02 -1.26 -4.83 118.70 116.28 2kz4 s GLU 24 Ca 0.00 -0.48 -0.22 0.00 0.02 0.00 0.00 54.97 54.29 2kz4 s GLU 24 Cb 0.00 -2.74 0.07 0.00 0.10 0.00 0.00 34.13 31.56 2kz4 s GLU 24 CO 0.00 0.62 0.98 0.42 0.02 0.00 0.00 175.26 177.29 2kz4 s ILE 25 N -0.66 4.32 -0.48 -1.63 -1.09 -1.26 -0.57 121.20 119.83 2kz4 s ILE 25 Ca 0.10 -0.40 -0.26 0.00 -2.23 0.00 0.00 60.65 57.86 2kz4 s ILE 25 Cb -0.12 -4.70 0.03 0.00 -1.58 0.00 0.00 42.46 36.10 2kz4 s ILE 25 CO 0.02 -1.47 0.99 -0.76 -1.23 0.00 0.00 174.94 172.49 2kz4 s LEU 26 N 4.05 3.91 -0.45 2.97 2.01 -0.14 -4.88 118.68 126.15 2kz4 s LEU 26 Ca 0.23 0.13 -0.29 0.00 0.01 0.00 0.00 54.13 54.21 2kz4 s LEU 26 Cb -0.16 -3.22 0.03 0.00 0.01 0.00 0.00 46.19 42.84 2kz4 s LEU 26 CO 0.09 -1.14 1.13 -1.61 1.01 0.00 0.00 176.35 175.83 2kz4 s GLU 27 N 4.00 3.79 0.09 1.70 2.02 -1.26 -1.09 118.70 127.95 2kz4 s GLU 27 Ca 0.39 0.66 0.04 0.00 0.02 0.00 0.00 54.97 56.08 2kz4 s GLU 27 Cb -0.10 -3.87 -0.03 0.00 0.10 0.00 0.00 34.13 30.23 2kz4 s GLU 27 CO 0.27 -1.29 -0.11 0.95 0.02 0.00 0.00 175.26 175.10 2kz4 s THR 28 N 4.30 0.96 -0.45 3.63 -4.23 -0.91 -5.01 115.64 113.94 2kz4 s THR 28 Ca 0.47 -1.57 -0.13 0.00 -1.18 0.00 0.00 61.69 59.29 2kz4 s THR 28 Cb -0.08 -1.28 0.07 0.00 1.34 0.00 0.00 72.50 72.55 2kz4 s THR 28 CO 0.29 -0.50 0.33 0.26 -0.54 0.00 0.00 174.62 174.46 2kz4 s TRP 29 N -2.21 3.28 0.15 3.99 0.52 -1.26 -0.03 118.94 123.39 2kz4 s TRP 29 Ca 0.04 -1.19 -0.25 0.00 0.02 0.00 0.00 56.10 54.72 2kz4 s TRP 29 Cb -0.04 -3.05 -0.08 0.00 -1.15 0.00 0.00 33.47 29.15 2kz4 s TRP 29 CO 0.01 -0.81 0.76 -1.83 0.02 0.00 0.00 176.95 175.09 2kz4 s GLU 30 N 1.55 4.54 0.12 4.98 -1.05 -0.13 -4.91 118.70 123.79 2kz4 s GLU 30 Ca 0.04 1.12 -0.24 0.00 -0.15 0.00 0.00 54.97 55.73 2kz4 s GLU 30 Cb -0.24 -3.26 -0.07 0.00 -0.44 0.00 0.00 34.13 30.12 2kz4 s GLU 30 CO 0.05 0.57 0.75 0.16 0.95 0.00 0.00 175.26 177.73 2kz4 s ASP 31 N -1.11 7.30 0.00 0.83 -4.77 -1.26 -1.46 116.67 116.20 2kz4 s ASP 31 Ca 0.35 1.54 0.00 0.00 -3.30 0.00 0.00 52.55 51.14 2kz4 s ASP 31 Cb -0.23 -2.47 0.00 0.00 -1.09 0.00 0.00 42.92 39.13 2kz4 s ASP 31 CO 0.26 0.16 0.00 0.61 0.70 0.00 0.00 175.17 176.89 2kz4 n GLY 32 N 1.85 1.01 3.38 2.12 0.00 0.50 -4.95 105.19 109.10 2kz4 n GLY 32 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2kz4 n GLY 32 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kz4 s HIS 33 N 1.88 2.45 -0.67 1.61 2.46 -1.26 -4.86 115.29 116.89 2kz4 s HIS 33 Ca 0.00 -0.34 -0.17 0.00 0.47 0.00 0.00 55.06 55.02 2kz4 s HIS 33 Cb 0.00 -1.48 0.14 0.00 -0.13 0.00 0.00 32.58 31.10 2kz4 s HIS 33 CO 0.00 0.11 0.73 0.99 -2.47 0.00 0.00 174.74 174.11 2kz4 s THR 34 N -0.76 5.05 0.52 0.89 2.01 -1.26 -1.92 115.64 120.17 2kz4 s THR 34 Ca 0.12 -1.47 0.08 0.00 0.31 0.00 0.00 61.69 60.73 2kz4 s THR 34 Cb -0.10 -4.50 0.04 0.00 0.01 0.00 0.00 72.50 67.95 2kz4 s THR 34 CO 0.02 -1.11 0.55 -1.48 -0.69 0.00 0.00 174.62 171.91 2kz4 s LEU 35 N 1.96 3.05 0.19 4.42 2.34 -0.67 -4.84 118.68 125.13 2kz4 s LEU 35 Ca 0.14 -0.95 -0.30 0.00 0.06 0.00 0.00 54.13 53.08 2kz4 s LEU 35 Cb -0.20 -1.62 -0.08 0.00 -0.56 0.00 0.00 46.19 43.73 2kz4 s LEU 35 CO 0.01 -1.08 1.23 0.26 -1.06 0.00 0.00 176.35 175.71 2kz4 s TRP 36 N -2.65 3.38 0.18 3.48 0.52 -1.26 -1.98 118.94 120.61 2kz4 s TRP 36 Ca 0.48 1.37 -0.04 0.00 0.02 0.00 0.00 56.10 57.93 2kz4 s TRP 36 Cb -0.04 -3.48 -0.03 0.00 -1.15 0.00 0.00 33.47 28.77 2kz4 s TRP 36 CO 0.30 -1.39 0.18 0.00 0.02 0.00 0.00 176.95 176.06 2kz4 s ALA 37 N -0.02 0.71 -0.35 0.98 0.00 -0.73 -3.97 121.76 118.37 2kz4 s ALA 37 Ca 0.54 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 51.13 2kz4 s ALA 37 Cb -0.34 1.13 0.10 0.00 0.00 0.00 0.00 23.12 24.01 2kz4 s ALA 37 CO 0.37 -0.61 0.09 0.45 0.00 0.00 0.00 175.76 176.06 2kz4 s SER 38 N -3.08 4.51 -0.97 0.00 0.15 0.35 -0.11 113.70 114.56 2kz4 s SER 38 Ca 0.29 -2.14 -0.22 0.00 0.70 0.00 0.00 55.95 54.59 2kz4 s SER 38 Cb 0.05 -1.43 0.07 0.00 -1.71 0.00 0.00 66.02 63.00 2kz4 s SER 38 CO 0.07 -0.37 1.34 -0.69 1.20 0.00 0.00 173.24 174.79 2kz4 s VAL 39 N 0.94 4.12 -0.70 4.45 1.01 -1.26 -1.83 120.40 127.13 2kz4 s VAL 39 Ca 0.12 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 2kz4 s VAL 39 Cb -0.19 -4.97 0.10 0.00 0.00 0.00 0.00 36.38 31.32 2kz4 s VAL 39 CO -0.11 -1.81 0.90 0.20 0.00 0.00 0.00 175.10 174.28 2kz4 s ASN 40 N 4.52 6.29 -0.58 3.32 0.01 0.91 -4.78 114.94 124.65 2kz4 s ASN 40 Ca 0.41 -1.44 -0.28 0.00 -0.71 0.00 0.00 52.86 50.84 2kz4 s ASN 40 Cb -0.02 -2.36 0.03 0.00 0.41 0.00 0.00 41.25 39.30 2kz4 s ASN 40 CO -0.08 -1.21 1.20 -0.32 -1.51 0.00 0.00 177.10 175.19 2kz4 s MET 41 N 3.12 3.50 0.24 -0.60 -2.45 -1.26 -1.33 119.30 120.52 2kz4 s MET 41 Ca 0.20 0.26 -0.30 0.00 -1.25 0.00 0.00 55.69 54.60 2kz4 s MET 41 Cb -0.17 -4.02 -0.09 0.00 1.25 0.00 0.00 34.83 31.80 2kz4 s MET 41 CO 0.04 -1.70 1.10 0.14 1.05 0.00 0.00 175.02 175.65 2kz4 s VAL 42 N 5.01 3.65 0.26 10.11 -7.23 -0.48 -4.98 120.40 126.73 2kz4 s VAL 42 Ca 0.43 1.55 0.03 0.00 -1.81 0.00 0.00 61.98 62.18 2kz4 s VAL 42 Cb -0.08 -3.99 0.05 0.00 0.56 0.00 0.00 36.38 32.92 2kz4 s VAL 42 CO 0.25 0.33 0.36 -1.20 -0.31 0.00 0.00 175.10 174.53 2kz4 n SER 43 N 1.71 0.76 -0.26 4.85 7.64 -1.26 -2.03 113.62 125.03 2kz4 n SER 43 Ca 0.01 -1.58 0.03 0.00 1.01 0.00 0.00 58.87 58.34 2kz4 n SER 43 Cb 0.45 -0.21 0.16 0.00 -1.01 0.00 0.00 64.21 63.61 2kz4 n SER 43 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2kz4 h SER 44 N -0.06 0.47 -0.45 6.43 4.64 -1.94 -2.74 113.55 119.89 2kz4 h SER 44 Ca -0.12 0.07 0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2kz4 h SER 44 Cb 0.51 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 2kz4 h SER 44 CO 0.16 0.24 0.21 0.50 -0.87 0.00 0.00 176.83 177.07 2kz4 h LYS 45 N 0.60 0.42 -0.60 4.77 1.63 -1.99 -0.63 116.57 120.77 2kz4 h LYS 45 Ca 0.38 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.14 2kz4 h LYS 45 Cb 0.46 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.96 2kz4 h LYS 45 CO -0.30 0.28 0.31 0.93 -3.45 0.00 0.00 179.45 177.21 2kz4 h GLU 46 N 0.43 0.84 -0.59 1.90 4.39 -1.89 -1.43 114.58 118.23 2kz4 h GLU 46 Ca 0.20 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 2kz4 h GLU 46 Cb 0.12 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2kz4 h GLU 46 CO -0.15 0.66 0.07 0.00 -1.16 0.00 0.00 179.01 178.44 2kz4 h ALA 47 N 1.14 1.02 0.00 3.43 0.00 -1.11 -0.64 119.26 123.11 2kz4 h ALA 47 Ca 0.21 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2kz4 h ALA 47 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2kz4 h ALA 47 CO -0.03 0.62 -0.83 0.82 0.00 0.00 0.00 179.25 179.83 2kz4 h ILE 48 N 0.90 1.55 0.00 0.00 2.04 -1.06 0.12 117.51 121.07 2kz4 h ILE 48 Ca 0.18 -2.71 -0.07 0.00 1.00 0.00 0.00 64.86 63.26 2kz4 h ILE 48 Cb 0.42 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 2kz4 h ILE 48 CO 0.01 0.78 -0.33 0.28 0.00 0.00 0.00 178.15 178.89 2kz4 h SER 49 N 0.04 0.00 0.41 1.72 0.02 -1.01 -2.62 113.55 112.12 2kz4 h SER 49 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2kz4 h SER 49 Cb 1.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2kz4 h SER 49 CO 0.12 0.33 -0.65 -0.24 -1.14 0.00 0.00 176.83 175.24 2kz4 n SER 50 N -3.56 0.62 0.00 3.07 2.88 -0.27 -5.02 113.62 111.34 2kz4 n SER 50 Ca -0.00 -0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 2kz4 n SER 50 Cb 0.46 0.44 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 2kz4 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kz4 n GLY 51 N 1.48 2.41 0.11 0.46 0.00 0.41 -2.66 105.19 107.40 2kz4 n GLY 51 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.03 1.21 0.02 4.61 0.00 -1.26 -4.53 120.51 120.59 2kz4 n ALA 52 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 2kz4 n ALA 52 Cb 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.14 -7.13 0.00 4.81 -1.79 -3.45 114.58 106.88 2kz4 h GLU 53 Ca 0.00 0.01 -0.47 0.00 -0.13 0.00 0.00 59.36 58.77 2kz4 h GLU 53 Cb 1.03 0.03 0.06 0.00 0.63 0.00 0.00 28.75 30.51 2kz4 h GLU 53 CO 0.00 0.29 0.16 -0.51 -0.73 0.00 0.00 179.01 178.22 2kz4 s LEU 54 N -8.76 3.13 0.18 1.64 1.43 -1.26 -5.13 118.68 109.91 2kz4 s LEU 54 Ca -0.11 0.55 0.06 0.00 -1.03 0.00 0.00 54.13 53.60 2kz4 s LEU 54 Cb -0.00 -3.33 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 2kz4 s LEU 54 CO 0.41 -1.22 -0.11 0.00 0.23 0.00 0.00 176.35 175.66 2kz4 s ALA 55 N -3.03 1.76 -0.49 4.21 0.00 -1.26 -4.84 121.76 118.12 2kz4 s ALA 55 Ca 0.56 -1.61 -0.27 0.00 0.00 0.00 0.00 51.96 50.64 2kz4 s ALA 55 Cb -0.11 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2kz4 s ALA 55 CO 0.44 -0.04 1.78 0.42 0.00 0.00 0.00 175.76 178.36 2kz4 s ILE 56 N -3.17 3.47 0.00 0.00 1.01 -1.26 -1.71 121.20 119.53 2kz4 s ILE 56 Ca 0.21 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.25 2kz4 s ILE 56 Cb 0.02 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.61 2kz4 s ILE 56 CO 0.04 -0.72 0.00 0.61 0.00 0.00 0.00 174.94 174.87 2kz4 n GLY 57 N 5.52 1.09 3.66 6.18 0.00 -0.86 -5.01 105.19 115.76 2kz4 n GLY 57 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 3.70 -0.77 2.61 2.01 -0.69 -4.40 115.64 116.09 2kz4 s THR 58 Ca 0.00 0.83 -0.24 0.00 0.31 0.00 0.00 61.69 62.60 2kz4 s THR 58 Cb 0.00 -3.56 0.06 0.00 0.01 0.00 0.00 72.50 69.01 2kz4 s THR 58 CO 0.00 -0.10 1.17 -0.69 -0.69 0.00 0.00 174.62 174.31 2kz4 s VAL 59 N 4.12 4.08 -0.16 3.82 1.01 0.78 -1.39 120.40 132.67 2kz4 s VAL 59 Ca 0.71 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.20 2kz4 s VAL 59 Cb -0.31 -4.84 -0.03 0.00 0.00 0.00 0.00 36.38 31.21 2kz4 s VAL 59 CO 0.27 -1.68 0.67 -0.60 0.00 0.00 0.00 175.10 173.76 2kz4 s ARG 60 N 4.67 4.28 -0.22 2.72 3.52 -0.44 -1.31 118.95 132.16 2kz4 s ARG 60 Ca 0.32 0.73 -0.00 0.00 -0.13 0.00 0.00 55.73 56.64 2kz4 s ARG 60 Cb -0.10 -3.54 0.06 0.00 -1.56 0.00 0.00 34.95 29.81 2kz4 s ARG 60 CO 0.07 -0.16 -0.02 0.42 -0.81 0.00 0.00 175.30 174.80 2kz4 s ILE 61 N 1.63 1.19 -0.37 4.11 1.01 -0.22 -0.06 121.20 128.49 2kz4 s ILE 61 Ca 0.32 -1.01 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 2kz4 s ILE 61 Cb -0.16 -1.55 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 2kz4 s ILE 61 CO 0.12 -0.15 0.38 0.26 0.00 0.00 0.00 174.94 175.55 2kz4 s TRP 62 N 1.55 3.20 0.32 3.97 0.52 -0.76 -0.94 118.94 126.79 2kz4 s TRP 62 Ca -0.04 -0.15 0.10 0.00 0.02 0.00 0.00 56.10 56.03 2kz4 s TRP 62 Cb -0.18 -2.73 -0.06 0.00 -1.15 0.00 0.00 33.47 29.34 2kz4 s TRP 62 CO -0.07 -0.52 -0.13 0.96 0.02 0.00 0.00 176.95 177.21 2kz4 s ILE 63 N 2.04 2.26 0.63 2.03 -4.36 -0.69 -0.49 121.20 122.62 2kz4 s ILE 63 Ca 0.12 -2.26 -0.18 0.00 -0.26 0.00 0.00 60.65 58.06 2kz4 s ILE 63 Cb -0.17 -2.51 -0.02 0.00 1.25 0.00 0.00 42.46 41.01 2kz4 s ILE 63 CO 0.12 -0.28 1.22 0.54 0.24 0.00 0.00 174.94 176.78 2kz4 n ARG 64 N -0.72 1.08 -1.84 0.37 5.12 -1.25 -0.67 116.66 118.75 2kz4 n ARG 64 Ca -0.05 0.42 -0.42 0.00 -1.93 0.00 0.00 57.85 55.87 2kz4 n ARG 64 Cb 0.62 -2.45 -0.03 0.00 -1.16 0.00 0.00 32.46 29.45 2kz4 n ARG 64 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2kz4 s TYR 65 N -1.41 2.27 -0.19 -1.55 5.04 -1.26 -4.00 117.35 116.26 2kz4 s TYR 65 Ca 0.81 0.16 -0.13 0.00 -2.44 0.00 0.00 57.07 55.47 2kz4 s TYR 65 Cb -0.39 -4.05 0.06 0.00 0.35 0.00 0.00 41.96 37.92 2kz4 s TYR 65 CO 0.42 -4.30 0.48 -0.98 -1.34 0.00 0.00 175.55 169.83 2kz4 s ARG 66 N 2.76 0.50 -0.00 4.97 1.70 -1.26 -4.89 118.95 122.73 2kz4 s ARG 66 Ca 0.77 0.81 0.04 0.00 -0.47 0.00 0.00 55.73 56.89 2kz4 s ARG 66 Cb -0.42 0.10 0.12 0.00 -0.57 0.00 0.00 34.95 34.18 2kz4 s ARG 66 CO 0.34 -0.13 1.09 1.63 -1.08 0.00 0.00 175.30 177.16 2kz4 n LYS 67 N 3.77 1.33 0.00 3.89 4.76 -1.26 -4.10 118.16 126.54 2kz4 n LYS 67 Ca -0.19 -0.49 -0.03 0.00 -2.87 0.00 0.00 58.31 54.72 2kz4 n LYS 67 Cb 0.56 -1.12 -0.11 0.00 -1.84 0.00 0.00 35.03 32.52 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 -0.10 0.77 -4.75 4.39 2.03 -1.26 -4.92 116.55 112.72 2kz4 n ASP 68 Ca 0.05 0.35 -0.41 0.00 0.52 0.00 0.00 54.79 55.30 2kz4 n ASP 68 Cb 0.12 0.21 -0.04 0.00 -0.72 0.00 0.00 41.12 40.69 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 -2.80 3.65 0.15 5.18 -1.09 -1.26 -5.05 121.20 119.98 2kz4 s ILE 69 Ca -0.04 1.54 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 2kz4 s ILE 69 Cb 0.08 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 2kz4 s ILE 69 CO 0.82 0.32 0.03 0.21 -1.23 0.00 0.00 174.94 175.08 2kz4 s ASN 70 N -0.48 0.76 0.60 3.58 3.84 -1.26 -4.83 114.94 117.15 2kz4 s ASN 70 Ca 0.47 -1.19 0.35 0.00 0.21 0.00 0.00 52.86 52.71 2kz4 s ASN 70 Cb -0.31 0.20 1.92 0.00 -0.55 0.00 0.00 41.25 42.52 2kz4 s ASN 70 CO 0.38 -0.65 2.23 0.00 -2.79 0.00 0.00 177.10 176.28 2kz4 h ALA 71 N 2.79 1.23 -0.32 1.71 0.00 -1.94 -2.01 119.26 120.71 2kz4 h ALA 71 Ca -0.36 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 2kz4 h ALA 71 Cb 1.20 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 2kz4 h ALA 71 CO 0.61 0.04 0.20 0.25 0.00 0.00 0.00 179.25 180.35 2kz4 n THR 72 N -3.45 1.66 -4.78 0.00 -2.24 -1.26 -4.70 114.28 99.50 2kz4 n THR 72 Ca -0.02 -0.63 -0.26 0.00 -2.27 0.00 0.00 64.05 60.87 2kz4 n THR 72 Cb 0.13 -0.77 -0.16 0.00 -2.10 0.00 0.00 70.33 67.43 2kz4 n THR 72 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kz4 s SER 73 N 0.16 2.07 0.04 3.42 0.15 -0.76 -2.10 113.70 116.68 2kz4 s SER 73 Ca 0.19 -0.34 -0.01 0.00 0.70 0.00 0.00 55.95 56.50 2kz4 s SER 73 Cb 0.16 -0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 2kz4 s SER 73 CO 0.04 0.13 0.19 -0.13 1.20 0.00 0.00 173.24 174.68 2kz4 s ARG 74 N 0.13 3.41 -0.35 5.44 0.52 0.20 -4.32 118.95 123.98 2kz4 s ARG 74 Ca -0.05 -0.42 -0.06 0.00 -0.52 0.00 0.00 55.73 54.68 2kz4 s ARG 74 Cb -0.12 -3.04 0.05 0.00 0.52 0.00 0.00 34.95 32.36 2kz4 s ARG 74 CO 0.02 0.63 0.12 0.42 0.02 0.00 0.00 175.30 176.51 2kz4 s ILE 75 N -1.45 3.71 -0.37 1.52 -1.09 -0.41 -1.20 121.20 121.92 2kz4 s ILE 75 Ca 0.32 -1.25 -0.13 0.00 -2.23 0.00 0.00 60.65 57.36 2kz4 s ILE 75 Cb -0.13 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 2kz4 s ILE 75 CO 0.25 -0.24 0.26 -0.75 -1.23 0.00 0.00 174.94 173.23 2kz4 s LYS 76 N 1.37 3.24 -0.47 2.79 2.20 -1.04 -0.71 119.74 127.12 2kz4 s LYS 76 Ca -0.01 -0.82 -0.27 0.00 -0.36 0.00 0.00 55.97 54.50 2kz4 s LYS 76 Cb -0.20 -3.86 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 2kz4 s LYS 76 CO 0.02 -0.58 1.87 0.08 -0.36 0.00 0.00 175.35 176.38 2kz4 s VAL 77 N 1.69 3.39 0.22 4.02 1.01 -0.76 -1.04 120.40 128.94 2kz4 s VAL 77 Ca 0.05 0.32 0.19 0.00 0.00 0.00 0.00 61.98 62.55 2kz4 s VAL 77 Cb -0.18 -3.74 0.15 0.00 0.00 0.00 0.00 36.38 32.61 2kz4 s VAL 77 CO 0.10 -0.61 1.79 -1.28 0.00 0.00 0.00 175.10 175.09 2kz4 h SER 78 N 14.37 0.00 -3.28 3.32 0.87 -1.65 -2.04 113.55 125.14 2kz4 h SER 78 Ca -0.29 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.29 2kz4 h SER 78 Cb 1.17 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.90 2kz4 h SER 78 CO 1.13 0.34 0.19 0.28 -0.53 0.00 0.00 176.83 178.24 2kz4 s THR 79 N -3.75 0.00 -5.00 2.23 -1.32 -0.97 -4.79 115.64 102.04 2kz4 s THR 79 Ca -0.01 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 2kz4 s THR 79 Cb 0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 2kz4 s THR 79 CO 0.68 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.70 2kz4 n GLY 80 N 3.31 0.28 0.28 6.08 0.00 -1.26 -2.41 105.19 111.47 2kz4 n GLY 80 Ca -0.16 -1.39 0.17 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 0.00 -0.51 1.61 0.13 -1.98 -3.12 132.00 128.13 2kz4 h PRO 81 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.77 2kz4 h PRO 81 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 2kz4 h PRO 81 CO 0.00 0.01 -0.91 1.28 -0.23 0.00 0.00 178.00 178.16 2kz4 n LEU 82 N -3.11 3.29 -4.55 1.56 4.77 -1.26 -5.05 117.00 112.64 2kz4 n LEU 82 Ca 0.00 -3.88 -0.33 0.00 -0.03 0.00 0.00 56.01 51.77 2kz4 n LEU 82 Cb 0.31 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2kz4 n LEU 82 CO 0.27 1.56 1.75 0.00 -1.33 0.00 0.00 177.39 179.64 2kz4 s ALA 83 N -3.39 1.64 0.00 -1.18 0.00 -1.18 -1.71 121.76 115.94 2kz4 s ALA 83 Ca 0.40 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2kz4 s ALA 83 Cb 0.37 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 19.11 2kz4 s ALA 83 CO -0.01 -4.56 0.00 0.41 0.00 0.00 0.00 175.76 171.60 2kz4 n GLY 84 N 6.10 3.08 3.76 0.00 0.00 -0.77 -4.96 105.19 112.40 2kz4 n GLY 84 Ca 0.34 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 4.40 -0.77 1.61 0.52 -0.69 -4.86 118.95 119.16 2kz4 s ARG 85 Ca 0.00 2.12 -0.05 0.00 -0.52 0.00 0.00 55.73 57.28 2kz4 s ARG 85 Cb 0.00 -3.12 0.20 0.00 0.52 0.00 0.00 34.95 32.54 2kz4 s ARG 85 CO 0.00 -0.16 0.64 0.54 0.02 0.00 0.00 175.30 176.33 2kz4 s VAL 86 N -0.73 4.38 0.50 3.52 0.11 -1.26 -1.82 120.40 125.09 2kz4 s VAL 86 Ca 0.51 -3.16 -0.20 0.00 -2.93 0.00 0.00 61.98 56.20 2kz4 s VAL 86 Cb -0.38 -3.77 -0.07 0.00 -1.53 0.00 0.00 36.38 30.63 2kz4 s VAL 86 CO 0.47 -0.98 1.08 -0.76 -3.33 0.00 0.00 175.10 171.58 2kz4 s LEU 87 N -0.46 3.84 -0.08 2.54 2.01 0.11 -4.76 118.68 121.87 2kz4 s LEU 87 Ca 0.21 2.06 -0.01 0.00 0.01 0.00 0.00 54.13 56.40 2kz4 s LEU 87 Cb -0.14 -4.52 -0.03 0.00 0.01 0.00 0.00 46.19 41.51 2kz4 s LEU 87 CO -0.07 -0.93 -0.04 0.20 1.01 0.00 0.00 176.35 176.51 2kz4 s ASN 88 N -1.82 4.88 -0.55 2.29 0.01 -0.87 -1.29 114.94 117.60 2kz4 s ASN 88 Ca 0.68 0.03 -0.28 0.00 -0.71 0.00 0.00 52.86 52.59 2kz4 s ASN 88 Cb -0.21 -1.33 0.02 0.00 0.41 0.00 0.00 41.25 40.14 2kz4 s ASN 88 CO 0.24 0.35 1.37 -0.63 -1.51 0.00 0.00 177.10 176.92 2kz4 s ILE 89 N -0.75 3.85 -1.29 0.60 1.01 -1.26 -1.52 121.20 121.84 2kz4 s ILE 89 Ca 0.11 0.75 -0.17 0.00 0.00 0.00 0.00 60.65 61.34 2kz4 s ILE 89 Cb -0.11 -4.47 0.01 0.00 0.01 0.00 0.00 42.46 37.90 2kz4 s ILE 89 CO 0.02 -1.15 2.01 2.30 0.00 0.00 0.00 174.94 178.11 2kz4 n ILE 90 N 6.85 3.26 0.00 2.92 -5.35 -1.13 -4.73 119.36 121.17 2kz4 n ILE 90 Ca 0.12 -3.08 0.00 0.00 -0.27 0.00 0.00 62.75 59.52 2kz4 n ILE 90 Cb 0.49 -2.45 0.00 0.00 -1.74 0.00 0.00 39.64 35.94 2kz4 n ILE 90 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kz4 n GLY 91 N 4.72 0.10 3.14 3.28 0.00 -1.26 -4.85 105.19 110.31 2kz4 n GLY 91 Ca 0.50 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.48 2kz4 n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kz4 s GLN 92 N -0.27 1.45 0.40 1.61 -0.21 -1.26 -4.58 119.66 116.80 2kz4 s GLN 92 Ca 0.00 -0.58 -0.26 0.00 0.02 0.00 0.00 55.36 54.54 2kz4 s GLN 92 Cb 0.00 -1.35 -0.11 0.00 1.00 0.00 0.00 33.01 32.55 2kz4 s GLN 92 CO 0.00 0.31 1.20 -0.35 -2.12 0.00 0.00 175.29 174.33 2kz4 n PRO 93 N 2.85 1.81 -4.10 2.91 -0.04 -1.26 -4.85 135.00 132.31 2kz4 n PRO 93 Ca -0.16 0.64 -0.32 0.00 -0.04 0.00 0.00 63.50 63.62 2kz4 n PRO 93 Cb 0.54 -2.26 -0.16 0.00 -0.04 0.00 0.00 33.50 31.58 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 -1.16 2.09 0.76 1.53 1.98 -0.53 -5.03 118.68 118.32 2kz4 s LEU 94 Ca 0.60 -0.65 -0.14 0.00 -2.89 0.00 0.00 54.13 51.05 2kz4 s LEU 94 Cb -0.54 -1.43 0.05 0.00 0.66 0.00 0.00 46.19 44.93 2kz4 s LEU 94 CO 0.59 -0.02 1.19 -2.16 -1.89 0.00 0.00 176.35 174.06 2kz4 s PRO 95 N 1.32 1.99 0.59 0.98 0.04 -1.26 -1.55 135.00 137.11 2kz4 s PRO 95 Ca 0.05 1.70 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 2kz4 s PRO 95 Cb -0.13 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2kz4 s PRO 95 CO -0.12 -1.93 1.14 0.34 0.04 0.00 0.00 177.00 176.46 2kz4 s ASP 96 N -2.18 5.41 0.24 6.66 2.15 -0.96 -4.71 116.67 123.28 2kz4 s ASP 96 Ca 0.73 2.18 -0.07 0.00 0.43 0.00 0.00 52.55 55.82 2kz4 s ASP 96 Cb -0.28 -2.58 0.25 0.00 -0.30 0.00 0.00 42.92 40.02 2kz4 s ASP 96 CO 0.47 -1.43 1.90 0.00 -0.17 0.00 0.00 175.17 175.94 2kz4 h ALA 97 N 0.79 1.18 -0.01 3.66 0.00 -1.94 -1.99 119.26 120.95 2kz4 h ALA 97 Ca -0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2kz4 h ALA 97 Cb 1.27 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2kz4 h ALA 97 CO 0.56 0.50 -0.21 0.00 0.00 0.00 0.00 179.25 180.10 2kz4 n ALA 98 N -2.35 2.98 -1.30 0.00 0.00 -1.26 -4.96 120.51 113.62 2kz4 n ALA 98 Ca 0.11 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 2kz4 n ALA 98 Cb 0.05 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.44 -1.38 0.00 0.00 3.00 -0.75 -4.86 116.66 112.24 2kz4 n ARG 99 Ca 0.13 0.82 0.14 0.00 -0.01 0.00 0.00 57.85 58.94 2kz4 n ARG 99 Cb 0.36 -5.05 0.62 0.00 0.00 0.00 0.00 32.46 28.39 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 -2.37 0.00 -3.81 0.55 5.66 -1.26 -4.82 114.28 108.23 2kz4 n THR 100 Ca -0.10 -0.01 -0.06 0.00 -3.05 0.00 0.00 64.05 60.83 2kz4 n THR 100 Cb 0.50 -0.33 -0.02 0.00 -1.55 0.00 0.00 70.33 68.93 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 -2.75 1.53 -0.12 1.09 1.04 -1.26 -4.09 118.95 114.40 2kz4 s ARG 101 Ca 0.22 -0.84 0.00 0.00 -1.04 0.00 0.00 55.73 54.07 2kz4 s ARG 101 Cb 0.19 0.53 -0.02 0.00 -2.04 0.00 0.00 34.95 33.62 2kz4 s ARG 101 CO 0.51 -0.70 -0.14 -1.17 -0.04 0.00 0.00 175.30 173.77 2kz4 s LEU 102 N -2.92 2.70 -0.35 -1.89 1.98 0.15 -2.26 118.68 116.09 2kz4 s LEU 102 Ca 0.11 -0.32 -0.13 0.00 -2.89 0.00 0.00 54.13 50.91 2kz4 s LEU 102 Cb -0.04 -1.60 -0.01 0.00 0.66 0.00 0.00 46.19 45.20 2kz4 s LEU 102 CO 0.05 0.19 0.24 -0.70 -1.89 0.00 0.00 176.35 174.24 2kz4 s GLU 103 N 0.20 3.43 -0.06 1.98 2.12 -0.60 -1.71 118.70 124.07 2kz4 s GLU 103 Ca -0.08 -0.69 -0.15 0.00 0.36 0.00 0.00 54.97 54.41 2kz4 s GLU 103 Cb -0.15 -3.81 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 2kz4 s GLU 103 CO 0.05 -0.48 0.38 0.42 -0.54 0.00 0.00 175.26 175.10 2kz4 s ILE 104 N 1.71 5.14 -0.15 -3.70 -1.09 -0.12 -1.45 121.20 121.55 2kz4 s ILE 104 Ca 0.06 0.77 -0.03 0.00 -2.23 0.00 0.00 60.65 59.22 2kz4 s ILE 104 Cb -0.18 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 2kz4 s ILE 104 CO 0.10 0.50 -0.05 -1.48 -1.23 0.00 0.00 174.94 172.79 2kz4 s LEU 105 N -0.49 3.21 0.25 2.97 2.34 -1.26 -1.05 118.68 124.64 2kz4 s LEU 105 Ca 0.22 -0.13 -0.07 0.00 0.06 0.00 0.00 54.13 54.21 2kz4 s LEU 105 Cb -0.15 -1.76 -0.02 0.00 -0.56 0.00 0.00 46.19 43.70 2kz4 s LEU 105 CO 0.11 0.18 0.36 0.00 -1.06 0.00 0.00 176.35 175.94 2kz4 s ARG 107 N -3.93 1.26 0.51 0.00 3.52 -0.58 -0.15 118.95 119.58 2kz4 s ARG 107 Ca 0.29 -0.55 -0.22 0.00 -0.13 0.00 0.00 55.73 55.12 2kz4 s ARG 107 Cb 0.02 0.56 -0.06 0.00 -1.56 0.00 0.00 34.95 33.91 2kz4 s ARG 107 CO 0.12 -0.54 1.29 -1.21 -0.81 0.00 0.00 175.30 174.15 2kz4 s GLU 108 N -3.77 3.37 -0.37 5.12 2.02 -1.26 -2.04 118.70 121.76 2kz4 s GLU 108 Ca 0.02 2.07 -0.04 0.00 0.02 0.00 0.00 54.97 57.04 2kz4 s GLU 108 Cb -0.01 -2.31 0.04 0.00 0.10 0.00 0.00 34.13 31.95 2kz4 s GLU 108 CO -0.12 -0.96 2.78 0.41 0.02 0.00 0.00 175.26 177.40 2kz4 n GLY 109 N 0.62 4.12 6.29 -1.39 0.00 -1.26 -4.93 105.19 108.65 2kz4 n GLY 109 Ca 0.09 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2kz4 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kz4 n ALA 110 N 1.02 0.00 -1.70 4.61 0.00 -1.26 -2.74 120.51 120.44 2kz4 n ALA 110 Ca 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.87 2kz4 n ALA 110 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 2kz4 n ALA 110 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kz4 n GLU 111 N 0.00 0.00 0.00 0.00 0.28 -1.26 -5.22 120.64 114.44 2kz4 n GLU 111 Ca 0.00 -0.35 0.08 0.00 -0.16 0.00 0.00 57.16 56.73 2kz4 n GLU 111 Cb 0.00 0.30 0.07 0.00 1.43 0.00 0.00 31.44 33.24 2kz4 n GLU 111 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33