#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zck s VAL 10 N 0.00 5.05 -0.11 0.52 -7.23 -0.77 -4.95 120.40 112.91 1zck s VAL 10 Ca 0.00 -0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.18 1zck s VAL 10 Cb 0.00 -3.20 -0.00 0.00 0.56 0.00 0.00 36.38 33.74 1zck s VAL 10 CO 0.00 0.57 -0.22 -0.70 -0.31 0.00 0.00 175.10 174.44 1zck s GLU 11 N -1.12 3.10 -0.06 4.82 2.12 -1.26 -0.63 118.70 125.68 1zck s GLU 11 Ca 0.16 -0.84 0.03 0.00 0.36 0.00 0.00 54.97 54.68 1zck s GLU 11 Cb -0.12 -2.38 0.01 0.00 0.26 0.00 0.00 34.13 31.90 1zck s GLU 11 CO 0.05 0.16 -0.15 0.54 -0.54 0.00 0.00 175.26 175.32 1zck s VAL 12 N 0.41 1.29 0.01 3.70 0.11 -0.46 -4.98 120.40 120.48 1zck s VAL 12 Ca -0.16 -0.60 0.04 0.00 -2.93 0.00 0.00 61.98 58.33 1zck s VAL 12 Cb -0.17 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.52 1zck s VAL 12 CO 0.07 0.38 -0.11 0.42 -3.33 0.00 0.00 175.10 172.53 1zck s THR 13 N 0.38 0.89 0.00 5.04 -4.23 -1.26 -0.01 115.64 116.46 1zck s THR 13 Ca -0.10 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1zck s THR 13 Cb -0.14 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 72.92 1zck s THR 13 CO 0.03 0.15 0.00 0.00 -0.54 0.00 0.00 174.62 174.26 1zck n TYR 14 N 2.52 0.00 0.00 3.99 -0.00 -1.26 -5.00 117.16 117.41 1zck n TYR 14 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 1zck n TYR 14 Cb 0.56 0.05 0.00 0.00 -0.00 0.00 0.00 39.34 39.95 1zck n TYR 14 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1zck n LYS 15 N -1.21 0.00 -2.35 2.98 4.76 -1.26 -5.08 118.16 116.00 1zck n LYS 15 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1zck n LYS 15 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1zck n LYS 15 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1zck n ASN 16 N 0.00 6.96 0.00 4.39 6.94 -1.26 -5.16 115.26 127.14 1zck n ASN 16 Ca 0.00 -3.28 0.00 0.00 -0.02 0.00 0.00 54.58 51.28 1zck n ASN 16 Cb 0.00 -1.34 0.00 0.00 -2.36 0.00 0.00 39.78 36.08 1zck n ASN 16 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1zck n ARG 18 N 1.83 0.00 -4.47 -3.83 0.63 -1.26 -4.74 116.66 104.82 1zck n ARG 18 Ca 0.49 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 57.13 1zck n ARG 18 Cb 0.29 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.07 1zck n ARG 18 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1zck s PHE 19 N 0.00 2.28 -0.25 -0.14 0.40 0.99 -2.21 117.98 119.06 1zck s PHE 19 Ca 0.00 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1zck s PHE 19 Cb 0.00 -1.26 0.05 0.00 0.51 0.00 0.00 43.02 42.33 1zck s PHE 19 CO 0.00 0.30 -0.11 -1.17 0.70 0.00 0.00 175.22 174.93 1zck s LEU 20 N -1.91 3.15 -0.47 -0.37 2.96 -0.49 -1.36 118.68 120.19 1zck s LEU 20 Ca 0.13 -1.27 -0.19 0.00 -0.22 0.00 0.00 54.13 52.58 1zck s LEU 20 Cb -0.10 -1.49 0.04 0.00 0.50 0.00 0.00 46.19 45.14 1zck s LEU 20 CO 0.05 -0.17 0.60 -0.63 -1.32 0.00 0.00 176.35 174.88 1zck s ILE 21 N 1.17 4.90 0.45 6.68 1.01 0.20 -1.14 121.20 134.46 1zck s ILE 21 Ca -0.07 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1zck s ILE 21 Cb -0.19 -4.22 0.03 0.00 0.01 0.00 0.00 42.46 38.09 1zck s ILE 21 CO -0.06 -0.66 0.23 1.07 0.00 0.00 0.00 174.94 175.51 1zck n THR 22 N 5.67 0.00 -3.84 2.92 5.66 -0.73 -1.84 114.28 122.11 1zck n THR 22 Ca -0.05 -1.90 -0.22 0.00 -3.05 0.00 0.00 64.05 58.83 1zck n THR 22 Cb 0.47 0.07 -0.02 0.00 -1.55 0.00 0.00 70.33 69.30 1zck n THR 22 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1zck s HIS 23 N -2.38 3.46 -0.08 1.09 3.76 -1.26 -4.45 115.29 115.43 1zck s HIS 23 Ca 0.17 0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 54.85 1zck s HIS 23 Cb -0.01 -1.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 1zck s HIS 23 CO 0.11 0.37 1.35 1.21 -0.85 0.00 0.00 174.74 176.93 1zck s ASN 24 N -3.99 6.90 0.88 1.40 2.47 -1.26 -4.95 114.94 116.39 1zck s ASN 24 Ca 0.35 1.91 -0.05 0.00 0.42 0.00 0.00 52.86 55.49 1zck s ASN 24 Cb -0.09 -2.55 0.08 0.00 -1.45 0.00 0.00 41.25 37.24 1zck s ASN 24 CO 0.30 -0.74 0.47 -0.81 -3.72 0.00 0.00 177.10 172.61 1zck n PRO 25 N 6.09 -0.29 -4.24 0.43 -0.04 -1.26 -5.02 135.00 130.68 1zck n PRO 25 Ca 0.14 -0.84 -0.18 0.00 -0.04 0.00 0.00 63.50 62.57 1zck n PRO 25 Cb 0.44 -0.45 -0.11 0.00 -0.04 0.00 0.00 33.50 33.34 1zck n PRO 25 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1zck s THR 26 N -1.84 1.31 0.60 0.52 -4.23 -1.26 -4.82 115.64 105.93 1zck s THR 26 Ca 0.28 -1.68 0.28 0.00 -1.18 0.00 0.00 61.69 59.39 1zck s THR 26 Cb -0.01 -1.49 0.37 0.00 1.34 0.00 0.00 72.50 72.70 1zck s THR 26 CO 0.19 -0.40 1.86 0.78 -0.54 0.00 0.00 174.62 176.51 1zck h ASN 27 N 3.59 0.00 0.19 3.99 -0.26 -1.95 -0.16 115.58 120.98 1zck h ASN 27 Ca -0.40 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.07 1zck h ASN 27 Cb 1.19 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 38.49 1zck h ASN 27 CO 0.50 0.00 -1.17 0.00 -1.06 0.00 0.00 177.43 175.70 1zck h ALA 28 N 1.37 -0.11 -0.51 -0.83 0.00 -2.01 -3.31 119.26 113.87 1zck h ALA 28 Ca 0.20 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1zck h ALA 28 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1zck h ALA 28 CO -0.00 0.56 0.00 0.25 0.00 0.00 0.00 179.25 180.06 1zck n THR 29 N -3.90 2.17 -0.18 0.00 -2.24 -0.23 -4.48 114.28 105.43 1zck n THR 29 Ca -0.15 -1.15 -0.03 0.00 -2.27 0.00 0.00 64.05 60.44 1zck n THR 29 Cb 0.97 -0.22 0.16 0.00 -2.10 0.00 0.00 70.33 69.14 1zck n THR 29 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1zck h LEU 30 N 3.45 0.87 -0.16 3.22 5.85 -1.22 -2.08 115.31 125.23 1zck h LEU 30 Ca 0.00 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1zck h LEU 30 Cb 1.66 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1zck h LEU 30 CO 0.37 0.82 0.08 0.78 -0.34 0.00 0.00 178.44 180.15 1zck h ASN 31 N 0.91 0.21 -0.18 1.25 2.35 -1.85 -0.08 115.58 118.19 1zck h ASN 31 Ca 0.21 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 1zck h ASN 31 Cb 0.25 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1zck h ASN 31 CO -0.01 0.25 -0.16 0.11 -1.65 0.00 0.00 177.43 175.98 1zck h LYS 32 N 0.15 0.58 0.26 0.81 1.57 -1.88 -0.72 116.57 117.33 1zck h LYS 32 Ca 0.06 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1zck h LYS 32 Cb 0.09 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1zck h LYS 32 CO -0.01 0.71 -0.14 0.35 -0.57 0.00 0.00 179.45 179.79 1zck h PHE 33 N 0.52 -0.37 -0.69 -1.35 3.57 -1.01 -1.43 116.94 116.18 1zck h PHE 33 Ca 0.09 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1zck h PHE 33 Cb 0.57 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1zck h PHE 33 CO 0.02 -0.23 0.45 0.82 -2.23 0.00 0.00 178.31 177.14 1zck h ILE 34 N -0.38 1.15 -0.49 1.41 2.04 -0.82 -1.35 117.51 119.08 1zck h ILE 34 Ca -0.03 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.59 1zck h ILE 34 Cb 0.31 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 1zck h ILE 34 CO 0.04 0.16 0.18 -0.08 0.00 0.00 0.00 178.15 178.45 1zck h GLU 35 N 0.90 0.34 -0.13 2.37 4.81 -0.81 -0.95 114.58 121.11 1zck h GLU 35 Ca 0.26 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1zck h GLU 35 Cb -0.07 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1zck h GLU 35 CO -0.07 0.23 -0.02 0.93 -0.73 0.00 0.00 179.01 179.35 1zck h GLU 36 N 0.35 0.25 -0.63 1.92 4.39 -0.87 -2.66 114.58 117.34 1zck h GLU 36 Ca 0.23 -0.09 0.10 0.00 0.34 0.00 0.00 59.36 59.95 1zck h GLU 36 Cb 0.24 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.80 1zck h GLU 36 CO -0.24 0.52 0.22 -0.07 -1.16 0.00 0.00 179.01 178.28 1zck h LEU 37 N -0.05 0.19 -0.99 1.33 3.38 -0.98 -0.58 115.31 117.62 1zck h LEU 37 Ca 0.04 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1zck h LEU 37 Cb 0.42 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1zck h LEU 37 CO 0.01 0.10 0.64 0.11 0.09 0.00 0.00 178.44 179.40 1zck h LYS 38 N 0.38 1.20 -0.02 1.13 1.57 -1.09 -1.03 116.57 118.71 1zck h LYS 38 Ca 0.32 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 1zck h LYS 38 Cb 0.43 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1zck h LYS 38 CO -0.34 0.79 -0.34 0.87 -0.57 0.00 0.00 179.45 179.86 1zck h LYS 39 N 1.24 0.04 -0.00 3.15 1.57 -0.79 -1.23 116.57 120.54 1zck h LYS 39 Ca 0.40 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1zck h LYS 39 Cb 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1zck h LYS 39 CO -0.13 0.38 -0.06 0.66 -0.57 0.00 0.00 179.45 179.72 1zck n TYR 40 N -4.12 0.00 -1.68 -1.35 4.01 -0.50 -4.91 117.16 108.61 1zck n TYR 40 Ca -0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 1zck n TYR 40 Cb 0.39 -0.18 -0.02 0.00 -0.31 0.00 0.00 39.34 39.21 1zck n TYR 40 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1zck n GLY 41 N 1.24 0.54 3.74 2.72 0.00 -0.46 -4.44 105.19 108.53 1zck n GLY 41 Ca 0.16 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1zck n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1zck s VAL 42 N -2.36 3.78 -0.26 1.61 -7.23 -0.56 -1.72 120.40 113.67 1zck s VAL 42 Ca 0.00 1.56 0.06 0.00 -1.81 0.00 0.00 61.98 61.79 1zck s VAL 42 Cb 0.00 -4.00 -0.07 0.00 0.56 0.00 0.00 36.38 32.87 1zck s VAL 42 CO 0.00 0.28 0.24 0.41 -0.31 0.00 0.00 175.10 175.72 1zck n THR 43 N 2.24 0.00 -3.81 5.32 -1.04 -0.70 -4.66 114.28 111.63 1zck n THR 43 Ca 0.02 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.05 61.57 1zck n THR 43 Cb 0.46 0.95 -0.11 0.00 -1.82 0.00 0.00 70.33 69.81 1zck n THR 43 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1zck s THR 44 N -1.63 0.03 -0.08 12.58 2.01 -1.25 -2.02 115.64 125.27 1zck s THR 44 Ca 0.02 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1zck s THR 44 Cb 0.04 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.16 1zck s THR 44 CO 0.24 -0.15 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.22 1zck s ILE 45 N -0.54 1.57 -0.25 1.82 1.01 0.05 -0.96 121.20 123.89 1zck s ILE 45 Ca -0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.82 1zck s ILE 45 Cb -0.04 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 41.05 1zck s ILE 45 CO 0.01 0.45 -0.01 -0.69 0.00 0.00 0.00 174.94 174.71 1zck s VAL 46 N 0.55 3.42 -0.36 2.92 1.01 0.19 -0.12 120.40 128.02 1zck s VAL 46 Ca -0.16 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1zck s VAL 46 Cb -0.17 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1zck s VAL 46 CO 0.06 0.25 0.34 -0.13 0.00 0.00 0.00 175.10 175.61 1zck s ARG 47 N 1.44 3.45 0.00 2.72 0.52 0.69 -2.38 118.95 125.39 1zck s ARG 47 Ca 0.03 -0.56 0.24 0.00 -0.52 0.00 0.00 55.73 54.92 1zck s ARG 47 Cb -0.16 -3.84 0.42 0.00 0.52 0.00 0.00 34.95 31.89 1zck s ARG 47 CO -0.02 -0.56 1.39 1.33 0.02 0.00 0.00 175.30 177.46 1zck n VAL 48 N 5.22 0.14 -2.46 3.52 0.24 -0.97 -1.24 118.33 122.78 1zck n VAL 48 Ca -0.10 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 1zck n VAL 48 Cb 0.49 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 1zck n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1zck n GLU 50 N 0.00 2.07 -3.09 0.00 2.13 -1.26 -4.70 120.64 115.78 1zck n GLU 50 Ca 0.00 0.73 -0.43 0.00 0.66 0.00 0.00 57.16 58.12 1zck n GLU 50 Cb 0.00 -2.40 -0.07 0.00 0.27 0.00 0.00 31.44 29.25 1zck n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1zck s ALA 51 N -1.16 3.34 -0.57 4.31 0.00 -1.26 -4.83 121.76 121.59 1zck s ALA 51 Ca 0.58 -1.22 0.17 0.00 0.00 0.00 0.00 51.96 51.49 1zck s ALA 51 Cb -0.52 -3.33 -0.21 0.00 0.00 0.00 0.00 23.12 19.06 1zck s ALA 51 CO 0.60 -1.82 0.62 0.25 0.00 0.00 0.00 175.76 175.41 1zck n THR 52 N 5.87 0.00 -4.19 0.00 -2.24 -1.26 -5.03 114.28 107.43 1zck n THR 52 Ca -0.01 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 1zck n THR 52 Cb 0.48 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.34 1zck n THR 52 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1zck s TYR 53 N -2.79 1.03 0.21 4.78 -0.85 -1.26 -4.80 117.35 113.67 1zck s TYR 53 Ca 0.03 -0.77 -0.30 0.00 -0.52 0.00 0.00 57.07 55.51 1zck s TYR 53 Cb 0.12 -0.56 -0.08 0.00 0.38 0.00 0.00 41.96 41.82 1zck s TYR 53 CO 0.71 -0.04 1.12 0.34 -1.52 0.00 0.00 175.55 176.16 1zck s ASP 54 N -2.80 7.23 0.00 -0.18 2.15 -1.26 -4.96 116.67 116.86 1zck s ASP 54 Ca 0.10 2.18 0.21 0.00 0.43 0.00 0.00 52.55 55.47 1zck s ASP 54 Cb 0.01 -2.61 0.36 0.00 -0.30 0.00 0.00 42.92 40.38 1zck s ASP 54 CO -0.02 -0.22 1.32 0.35 -0.17 0.00 0.00 175.17 176.44 1zck n THR 55 N 2.01 0.45 -0.15 1.71 -2.24 -1.26 -4.57 114.28 110.22 1zck n THR 55 Ca 0.02 -0.72 -0.06 0.00 -2.27 0.00 0.00 64.05 61.01 1zck n THR 55 Cb 0.45 1.03 0.03 0.00 -2.10 0.00 0.00 70.33 69.74 1zck n THR 55 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1zck h THR 56 N 4.12 1.03 -0.66 4.28 1.35 -1.98 0.23 112.91 121.27 1zck h THR 56 Ca 0.00 -0.19 -0.07 0.00 -0.55 0.00 0.00 66.41 65.60 1zck h THR 56 Cb 0.92 0.44 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 1zck h THR 56 CO 0.00 0.10 0.13 0.25 -0.25 0.00 0.00 175.52 175.75 1zck h LEU 57 N 0.55 1.01 -0.07 3.87 5.85 -1.99 -0.28 115.31 124.25 1zck h LEU 57 Ca 0.19 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1zck h LEU 57 Cb 0.03 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 1zck h LEU 57 CO -0.10 0.99 0.00 0.58 -0.34 0.00 0.00 178.44 179.58 1zck h VAL 58 N 1.01 1.23 -0.47 1.05 2.07 -1.70 -2.56 116.25 116.88 1zck h VAL 58 Ca 0.21 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1zck h VAL 58 Cb 0.40 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1zck h VAL 58 CO 0.01 0.20 0.22 -0.33 0.02 0.00 0.00 177.57 177.68 1zck h GLU 59 N -0.16 0.66 -0.20 1.57 4.39 -0.44 -2.07 114.58 118.33 1zck h GLU 59 Ca 0.02 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1zck h GLU 59 Cb 0.31 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1zck h GLU 59 CO 0.00 0.52 -0.16 -0.22 -1.16 0.00 0.00 179.01 178.00 1zck h LYS 60 N 0.66 0.34 0.00 2.33 3.11 -0.89 -2.01 116.57 120.11 1zck h LYS 60 Ca 0.17 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 1zck h LYS 60 Cb 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 1zck h LYS 60 CO -0.02 0.50 0.00 0.39 -2.81 0.00 0.00 179.45 177.51 1zck n GLU 61 N -4.21 0.96 -0.56 1.90 -0.58 -0.83 -4.85 120.64 112.47 1zck n GLU 61 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1zck n GLU 61 Cb 0.31 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1zck n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1zck n GLY 62 N 0.69 0.68 3.27 0.62 0.00 -0.75 -5.05 105.19 104.64 1zck n GLY 62 Ca 0.12 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1zck n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zck s ILE 63 N -2.00 3.63 0.09 -0.61 -1.09 -0.93 -4.83 121.20 115.46 1zck s ILE 63 Ca 0.00 -1.06 -0.29 0.00 -2.23 0.00 0.00 60.65 57.06 1zck s ILE 63 Cb 0.00 -3.00 -0.05 0.00 -1.58 0.00 0.00 42.46 37.83 1zck s ILE 63 CO 0.00 -0.08 0.94 -2.28 -1.23 0.00 0.00 174.94 172.29 1zck s HIS 64 N 1.40 3.79 -0.16 3.97 2.46 -0.86 -3.01 115.29 122.87 1zck s HIS 64 Ca -0.01 1.75 -0.04 0.00 0.47 0.00 0.00 55.06 57.24 1zck s HIS 64 Cb -0.19 -3.03 -0.03 0.00 -0.13 0.00 0.00 32.58 29.20 1zck s HIS 64 CO 0.02 0.19 -0.04 0.08 -2.47 0.00 0.00 174.74 172.52 1zck s VAL 65 N 0.10 3.84 -0.12 0.89 1.01 -1.26 -0.77 120.40 124.08 1zck s VAL 65 Ca 0.46 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1zck s VAL 65 Cb -0.23 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1zck s VAL 65 CO 0.29 0.48 -0.16 -0.76 0.00 0.00 0.00 175.10 174.95 1zck s LEU 66 N 0.50 2.57 -0.47 3.92 1.43 0.84 -4.96 118.68 122.50 1zck s LEU 66 Ca -0.03 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 1zck s LEU 66 Cb -0.14 -1.56 0.10 0.00 0.03 0.00 0.00 46.19 44.61 1zck s LEU 66 CO 0.03 0.16 0.37 -1.81 0.23 0.00 0.00 176.35 175.33 1zck s ASP 67 N 0.35 5.88 -0.59 2.29 1.01 -1.26 -0.22 116.67 124.13 1zck s ASP 67 Ca -0.13 -1.65 0.06 0.00 0.71 0.00 0.00 52.55 51.54 1zck s ASP 67 Cb -0.16 -2.08 0.24 0.00 1.01 0.00 0.00 42.92 41.92 1zck s ASP 67 CO 0.06 -0.68 0.68 0.79 0.21 0.00 0.00 175.17 176.23 1zck n TRP 68 N 5.05 2.75 -2.21 4.23 8.01 -0.38 -4.98 117.44 129.91 1zck n TRP 68 Ca -0.11 -4.04 -0.41 0.00 -1.31 0.00 0.00 57.50 51.64 1zck n TRP 68 Cb 0.42 -0.51 -0.03 0.00 -2.01 0.00 0.00 31.31 29.18 1zck n TRP 68 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 1zck s PRO 69 N -2.11 4.43 -0.06 -0.99 0.02 -1.25 -4.31 135.00 130.74 1zck s PRO 69 Ca 0.38 2.10 -0.01 0.00 0.02 0.00 0.00 61.00 63.49 1zck s PRO 69 Cb 0.14 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 31.57 1zck s PRO 69 CO -0.05 -0.11 0.01 -0.59 -0.33 0.00 0.00 177.00 175.94 1zck s PHE 70 N -0.95 0.47 0.00 6.54 -0.12 -0.92 -4.99 117.98 118.02 1zck s PHE 70 Ca 0.49 -0.04 0.00 0.00 -0.05 0.00 0.00 56.93 57.33 1zck s PHE 70 Cb -0.37 -0.65 0.00 0.00 -0.63 0.00 0.00 43.02 41.36 1zck s PHE 70 CO 0.48 -0.25 0.00 -0.25 -0.05 0.00 0.00 175.22 175.14 1zck n ASP 71 N 4.95 0.00 -4.59 1.98 8.00 -1.26 -4.70 116.55 120.92 1zck n ASP 71 Ca -0.10 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.96 1zck n ASP 71 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 1zck n ASP 71 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1zck n ASP 72 N 0.00 3.15 0.00 -2.24 10.43 -1.26 -3.03 116.55 123.60 1zck n ASP 72 Ca 0.00 0.17 0.00 0.00 2.57 0.00 0.00 54.79 57.53 1zck n ASP 72 Cb 0.00 -1.54 0.00 0.00 1.84 0.00 0.00 41.12 41.42 1zck n ASP 72 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1zck n GLY 73 N 5.83 0.73 3.49 0.44 0.00 -1.26 -4.93 105.19 109.49 1zck n GLY 73 Ca 0.31 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.88 1zck n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zck n ALA 74 N 0.00 -1.52 -1.76 4.61 0.00 -1.17 -4.88 120.51 115.78 1zck n ALA 74 Ca 0.00 0.36 -0.35 0.00 0.00 0.00 0.00 53.44 53.44 1zck n ALA 74 Cb 0.00 -1.81 0.02 0.00 0.00 0.00 0.00 19.45 17.66 1zck n ALA 74 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1zck s PRO 75 N -1.34 3.18 0.38 0.00 0.02 -1.26 -4.62 135.00 131.36 1zck s PRO 75 Ca 0.61 1.71 -0.27 0.00 0.02 0.00 0.00 61.00 63.07 1zck s PRO 75 Cb -0.77 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 31.68 1zck s PRO 75 CO 0.58 -1.02 1.41 -2.14 -0.33 0.00 0.00 177.00 175.50 1zck s PRO 76 N -3.31 4.09 0.75 5.54 0.02 -1.26 -4.89 135.00 135.95 1zck s PRO 76 Ca 0.75 2.40 -0.14 0.00 0.02 0.00 0.00 61.00 64.04 1zck s PRO 76 Cb -0.27 -2.92 0.05 0.00 0.02 0.00 0.00 34.50 31.39 1zck s PRO 76 CO 0.30 -0.48 1.16 -1.54 -0.33 0.00 0.00 177.00 176.11 1zck s SER 77 N -0.37 4.18 0.39 2.53 1.04 -1.26 -4.78 113.70 115.43 1zck s SER 77 Ca 0.54 2.19 0.11 0.00 0.48 0.00 0.00 55.95 59.26 1zck s SER 77 Cb -0.43 -2.57 0.90 0.00 0.10 0.00 0.00 66.02 64.02 1zck s SER 77 CO 0.58 -2.26 1.91 0.78 0.98 0.00 0.00 173.24 175.23 1zck h ASN 78 N -0.62 0.54 -0.56 7.02 2.35 -2.00 -1.06 115.58 121.26 1zck h ASN 78 Ca -0.46 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.23 1zck h ASN 78 Cb 1.27 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.54 1zck h ASN 78 CO 0.49 0.30 0.01 -0.61 -1.65 0.00 0.00 177.43 175.97 1zck h GLN 79 N 0.59 0.99 -0.52 0.81 5.75 -1.99 -0.69 115.11 120.05 1zck h GLN 79 Ca 0.38 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1zck h GLN 79 Cb 0.66 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 1zck h GLN 79 CO -0.15 0.98 0.24 0.82 -2.65 0.00 0.00 178.83 178.08 1zck h ILE 80 N 0.87 1.20 -0.51 2.39 2.04 -1.57 0.51 117.51 122.45 1zck h ILE 80 Ca 0.16 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1zck h ILE 80 Cb 0.53 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1zck h ILE 80 CO 0.03 0.23 0.30 0.58 0.00 0.00 0.00 178.15 179.28 1zck h VAL 81 N 0.70 1.16 -0.44 1.67 2.07 -1.13 0.12 116.25 120.41 1zck h VAL 81 Ca 0.18 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1zck h VAL 81 Cb 0.13 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1zck h VAL 81 CO -0.02 0.17 0.21 0.44 0.02 0.00 0.00 177.57 178.38 1zck h ASP 82 N 0.68 0.58 -0.74 0.57 3.32 -0.83 0.26 116.42 120.25 1zck h ASP 82 Ca 0.18 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1zck h ASP 82 Cb 0.01 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1zck h ASP 82 CO -0.03 0.55 0.31 0.44 -1.72 0.00 0.00 179.24 178.79 1zck h ASP 83 N 0.57 1.01 -0.03 6.45 3.32 -0.61 -0.51 116.42 126.63 1zck h ASP 83 Ca 0.15 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1zck h ASP 83 Cb 0.13 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1zck h ASP 83 CO -0.02 0.90 0.01 -0.25 -1.72 0.00 0.00 179.24 178.16 1zck h TRP 84 N 1.06 0.05 -0.38 4.55 2.91 -0.46 -0.96 115.95 122.72 1zck h TRP 84 Ca 0.25 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.24 1zck h TRP 84 Cb 0.19 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.81 1zck h TRP 84 CO 0.02 0.22 0.11 -0.07 -1.03 0.00 0.00 178.44 177.69 1zck h LEU 85 N -0.13 0.50 -0.61 0.65 4.07 -0.83 -0.07 115.31 118.89 1zck h LEU 85 Ca 0.01 -0.06 -0.10 0.00 0.08 0.00 0.00 57.88 57.81 1zck h LEU 85 Cb 0.19 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1zck h LEU 85 CO -0.00 0.49 -0.03 -1.28 -1.08 0.00 0.00 178.44 176.55 1zck h SER 86 N 0.55 1.05 -0.28 -0.43 0.87 -0.86 -1.22 113.55 113.22 1zck h SER 86 Ca 0.13 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 1zck h SER 86 Cb 0.18 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1zck h SER 86 CO -0.01 1.11 0.01 0.25 -0.53 0.00 0.00 176.83 177.67 1zck h LEU 87 N 0.97 0.48 -0.32 2.23 5.85 -0.29 -2.29 115.31 121.93 1zck h LEU 87 Ca 0.17 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1zck h LEU 87 Cb 0.59 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1zck h LEU 87 CO 0.04 0.65 0.16 0.58 -0.34 0.00 0.00 178.44 179.53 1zck h VAL 88 N 0.29 0.99 0.07 1.05 2.07 -0.91 -0.89 116.25 118.92 1zck h VAL 88 Ca 0.08 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1zck h VAL 88 Cb 0.40 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1zck h VAL 88 CO 0.01 0.06 -0.21 0.50 0.02 0.00 0.00 177.57 177.96 1zck h LYS 89 N 0.33 -0.35 -0.06 1.57 3.64 -1.12 -3.01 116.57 117.57 1zck h LYS 89 Ca 0.13 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.41 1zck h LYS 89 Cb 0.05 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1zck h LYS 89 CO -0.09 -0.24 -0.48 0.97 -2.27 0.00 0.00 179.45 177.34 1zck h ILE 90 N -0.37 1.41 0.05 2.00 2.10 -1.32 -3.25 117.51 118.13 1zck h ILE 90 Ca 0.04 -1.88 -0.00 0.00 1.08 0.00 0.00 64.86 64.09 1zck h ILE 90 Cb 0.41 2.37 -0.00 0.00 -1.09 0.00 0.00 36.82 38.51 1zck h ILE 90 CO -0.14 0.55 -0.03 0.11 -1.08 0.00 0.00 178.15 177.56 1zck h LYS 91 N -0.04 -0.08 0.00 2.19 1.79 -1.23 0.27 116.57 119.47 1zck h LYS 91 Ca -0.04 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1zck h LYS 91 Cb 1.15 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1zck h LYS 91 CO 0.10 -0.05 0.00 1.19 -1.08 0.00 0.00 179.45 179.60 1zck n PHE 92 N -5.13 0.00 -0.13 -1.35 0.99 -1.14 -0.43 117.46 110.27 1zck n PHE 92 Ca -0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.12 1zck n PHE 92 Cb 0.07 -0.47 -0.11 0.00 -1.00 0.00 0.00 39.48 37.97 1zck n PHE 92 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1zck n ARG 93 N -1.47 0.61 0.17 -1.08 0.63 -0.99 -4.04 116.66 110.49 1zck n ARG 93 Ca 0.04 0.28 0.06 0.00 -0.92 0.00 0.00 57.85 57.32 1zck n ARG 93 Cb 0.18 -1.54 0.18 0.00 0.45 0.00 0.00 32.46 31.72 1zck n ARG 93 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1zck h GLU 94 N -0.75 0.00 -2.53 -0.14 5.08 -0.38 -3.36 114.58 112.50 1zck h GLU 94 Ca -0.62 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.14 1zck h GLU 94 Cb 1.65 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.50 1zck h GLU 94 CO -0.31 0.37 -0.80 0.39 -1.00 0.00 0.00 179.01 177.67 1zck n GLU 95 N -3.28 1.19 -1.64 2.33 1.02 0.42 -5.07 120.64 115.62 1zck n GLU 95 Ca 0.01 -3.86 -0.47 0.00 -0.02 0.00 0.00 57.16 52.82 1zck n GLU 95 Cb 0.62 -1.90 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 1zck n GLU 95 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1zck n PRO 96 N 2.01 1.77 -0.97 3.49 -0.02 -1.26 -1.75 135.00 138.27 1zck n PRO 96 Ca 0.25 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1zck n PRO 96 Cb 0.43 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1zck n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1zck n GLY 97 N 2.70 0.66 3.95 -1.23 0.00 -1.26 -5.04 105.19 104.96 1zck n GLY 97 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1zck n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zck s ILE 100 N -0.76 3.15 0.07 0.00 1.01 -0.94 -1.72 121.20 122.00 1zck s ILE 100 Ca -0.06 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 1zck s ILE 100 Cb -0.06 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1zck s ILE 100 CO -0.00 0.47 0.27 0.00 0.00 0.00 0.00 174.94 175.68 1zck s ALA 101 N 1.01 3.91 -0.01 9.38 0.00 -0.13 -1.39 121.76 134.53 1zck s ALA 101 Ca -0.01 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 1zck s ALA 101 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1zck s ALA 101 CO -0.01 0.74 0.01 0.08 0.00 0.00 0.00 175.76 176.59 1zck s VAL 102 N -1.51 -0.01 0.10 0.00 1.01 -0.30 -0.64 120.40 119.06 1zck s VAL 102 Ca 0.35 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 1zck s VAL 102 Cb -0.13 -0.03 0.03 0.00 0.00 0.00 0.00 36.38 36.25 1zck s VAL 102 CO 0.24 0.01 0.36 -1.38 0.00 0.00 0.00 175.10 174.33 1zck s HIS 103 N 0.15 -0.15 0.00 5.22 -3.43 -1.00 -1.78 115.29 114.30 1zck s HIS 103 Ca -0.01 -0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.10 1zck s HIS 103 Cb -0.02 0.19 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 1zck s HIS 103 CO -0.00 -0.64 0.00 0.00 -2.00 0.00 0.00 174.74 172.09 1zck n VAL 105 N 0.00 0.00 -3.36 0.00 3.14 -1.26 -4.54 118.33 112.31 1zck n VAL 105 Ca 0.00 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.13 1zck n VAL 105 Cb 0.00 -0.38 -0.10 0.00 -1.06 0.00 0.00 33.84 32.31 1zck n VAL 105 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1zck s ALA 106 N -1.50 0.81 0.00 1.55 0.00 -1.26 -4.56 121.76 116.81 1zck s ALA 106 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 49.98 1zck s ALA 106 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1zck s ALA 106 CO 0.00 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.12 1zck n GLY 107 N 3.34 -1.78 0.26 0.00 0.00 -1.26 -4.54 105.19 101.20 1zck n GLY 107 Ca 0.22 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 1zck n GLY 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1zck h LEU 108 N 0.00 -0.64 0.00 0.99 -0.00 -1.95 -3.40 115.31 110.30 1zck h LEU 108 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1zck h LEU 108 Cb 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1zck h LEU 108 CO 0.00 -0.29 0.00 0.61 -0.00 0.00 0.00 178.44 178.76 1zck n GLY 109 N -1.35 3.62 0.40 0.83 0.00 -1.26 -1.96 105.19 105.47 1zck n GLY 109 Ca -0.05 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.02 1zck n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zck n ARG 110 N 14.00 1.30 -0.18 1.61 1.74 -1.26 -4.44 116.66 129.44 1zck n ARG 110 Ca 0.00 -0.80 0.12 0.00 -0.77 0.00 0.00 57.85 56.39 1zck n ARG 110 Cb 0.00 -1.48 0.43 0.00 -1.02 0.00 0.00 32.46 30.39 1zck n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zck h ALA 111 N 4.04 1.92 0.00 7.54 0.00 -1.71 -1.71 119.26 129.35 1zck h ALA 111 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zck h ALA 111 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1zck h ALA 111 CO 0.00 -0.10 0.00 -2.30 0.00 0.00 0.00 179.25 176.85 1zck n PRO 112 N -4.50 0.20 0.15 0.00 -0.02 -1.26 -3.83 135.00 125.75 1zck n PRO 112 Ca 0.13 0.32 -0.14 0.00 -2.02 0.00 0.00 63.50 61.79 1zck n PRO 112 Cb 0.40 -1.81 -0.07 0.00 -0.02 0.00 0.00 33.50 32.00 1zck n PRO 112 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1zck h VAL 113 N 0.00 0.66 -0.70 -1.45 2.07 -1.62 -0.74 116.25 114.46 1zck h VAL 113 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1zck h VAL 113 Cb 0.50 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1zck h VAL 113 CO 0.00 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 177.96 1zck h LEU 114 N -0.38 0.81 -0.61 2.57 3.38 -1.74 -1.49 115.31 117.85 1zck h LEU 114 Ca -0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1zck h LEU 114 Cb 0.33 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1zck h LEU 114 CO -0.00 0.60 0.25 0.58 0.09 0.00 0.00 178.44 179.96 1zck h VAL 115 N 0.95 1.23 -0.95 1.22 2.07 -1.65 -1.53 116.25 117.59 1zck h VAL 115 Ca 0.25 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1zck h VAL 115 Cb -0.08 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 1zck h VAL 115 CO -0.05 0.28 0.62 0.00 0.02 0.00 0.00 177.57 178.44 1zck h ALA 116 N 1.09 1.23 -0.38 1.67 0.00 -0.21 -1.56 119.26 121.10 1zck h ALA 116 Ca 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1zck h ALA 116 Cb 0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1zck h ALA 116 CO -0.02 0.55 0.09 -0.07 0.00 0.00 0.00 179.25 179.80 1zck h LEU 117 N 1.25 0.51 -0.50 0.00 4.07 -0.63 -0.49 115.31 119.52 1zck h LEU 117 Ca 0.36 -0.07 -0.16 0.00 0.08 0.00 0.00 57.88 58.09 1zck h LEU 117 Cb -0.08 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 1zck h LEU 117 CO -0.10 0.52 -0.55 0.00 -1.08 0.00 0.00 178.44 177.23 1zck h ALA 118 N 1.56 0.68 -0.41 1.53 0.00 -0.40 -2.07 119.26 120.14 1zck h ALA 118 Ca 0.13 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1zck h ALA 118 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1zck h ALA 118 CO -0.00 0.69 -0.11 -0.07 0.00 0.00 0.00 179.25 179.75 1zck h LEU 119 N 0.44 0.82 -0.81 0.00 3.38 -0.58 -1.28 115.31 117.27 1zck h LEU 119 Ca 0.01 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1zck h LEU 119 Cb 1.10 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1zck h LEU 119 CO 0.10 1.00 0.48 0.40 0.09 0.00 0.00 178.44 180.51 1zck h ILE 120 N 0.63 1.23 -0.23 1.22 2.04 -1.07 -0.50 117.51 120.83 1zck h ILE 120 Ca 0.10 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1zck h ILE 120 Cb 0.65 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1zck h ILE 120 CO 0.04 0.24 0.02 -0.08 0.00 0.00 0.00 178.15 178.38 1zck h GLU 121 N 1.11 0.34 0.00 2.37 4.57 -1.13 -0.70 114.58 121.14 1zck h GLU 121 Ca 0.29 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1zck h GLU 121 Cb -0.03 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1zck h GLU 121 CO -0.05 0.35 0.00 0.41 -1.18 0.00 0.00 179.01 178.54 1zck n GLY 122 N -1.13 -0.96 0.00 1.92 0.00 -0.22 -4.70 105.19 100.09 1zck n GLY 122 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1zck n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zck n GLY 123 N 0.69 0.45 3.41 -0.02 0.00 -0.27 -5.04 105.19 104.41 1zck n GLY 123 Ca 0.15 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 1zck n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zck s LYS 125 N 0.00 1.51 0.38 1.61 1.02 -1.26 -4.99 119.74 118.01 1zck s LYS 125 Ca 0.00 -1.71 0.08 0.00 0.02 0.00 0.00 55.97 54.36 1zck s LYS 125 Cb 0.00 -1.35 0.81 0.00 -0.52 0.00 0.00 37.83 36.77 1zck s LYS 125 CO 0.00 0.19 1.96 0.10 -0.92 0.00 0.00 175.35 176.68 1zck h TYR 126 N 2.37 0.69 -0.82 3.18 -0.00 -1.96 -1.36 116.97 119.08 1zck h TYR 126 Ca -0.39 0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.34 1zck h TYR 126 Cb 1.24 -0.23 -0.04 0.00 -0.00 0.00 0.00 36.73 37.70 1zck h TYR 126 CO 0.74 0.36 0.44 0.93 -0.00 0.00 0.00 178.16 180.63 1zck h GLU 127 N 0.67 1.15 -0.46 0.10 3.07 -1.99 -0.03 114.58 117.09 1zck h GLU 127 Ca 0.30 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 58.98 1zck h GLU 127 Cb 0.32 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1zck h GLU 127 CO -0.10 0.85 0.14 -0.44 -1.40 0.00 0.00 179.01 178.06 1zck h ASP 128 N 1.14 0.68 -0.66 1.42 3.32 -1.72 -1.31 116.42 119.30 1zck h ASP 128 Ca 0.29 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1zck h ASP 128 Cb 0.04 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1zck h ASP 128 CO -0.04 0.72 0.35 0.00 -1.72 0.00 0.00 179.24 178.54 1zck h ALA 129 N 0.99 0.85 -0.50 3.45 0.00 -0.86 0.10 119.26 123.30 1zck h ALA 129 Ca 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1zck h ALA 129 Cb 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1zck h ALA 129 CO -0.00 0.38 0.24 0.28 0.00 0.00 0.00 179.25 180.15 1zck h VAL 130 N 0.90 1.19 -0.52 0.00 2.07 -0.78 -1.56 116.25 117.56 1zck h VAL 130 Ca 0.23 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1zck h VAL 130 Cb 0.07 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1zck h VAL 130 CO -0.03 0.21 -0.01 1.56 0.02 0.00 0.00 177.57 179.32 1zck h GLN 131 N 0.66 0.92 -0.86 1.57 1.08 -0.96 0.46 115.11 117.98 1zck h GLN 131 Ca 0.17 -0.30 0.04 0.00 -1.45 0.00 0.00 58.65 57.12 1zck h GLN 131 Cb 0.11 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.41 1zck h GLN 131 CO -0.02 0.94 0.56 0.35 -0.95 0.00 0.00 178.83 179.72 1zck h PHE 132 N 0.78 1.02 0.12 2.96 3.57 -0.55 0.15 116.94 125.01 1zck h PHE 132 Ca 0.14 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.42 1zck h PHE 132 Cb 0.54 -0.34 0.03 0.00 2.79 0.00 0.00 35.95 38.96 1zck h PHE 132 CO 0.04 0.58 -1.05 0.82 -2.23 0.00 0.00 178.31 176.47 1zck h ILE 133 N 1.05 1.37 0.00 1.41 1.08 -1.07 -3.28 117.51 118.06 1zck h ILE 133 Ca 0.35 -2.44 -0.03 0.00 -0.39 0.00 0.00 64.86 62.35 1zck h ILE 133 Cb 0.06 2.86 -0.00 0.00 -3.07 0.00 0.00 36.82 36.67 1zck h ILE 133 CO -0.11 0.72 -0.12 0.03 -0.69 0.00 0.00 178.15 177.98 1zck h ARG 134 N 0.02 0.00 0.00 2.37 3.08 -0.48 0.13 114.38 119.50 1zck h ARG 134 Ca -0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1zck h ARG 134 Cb 1.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.82 1zck h ARG 134 CO 0.20 0.12 -0.07 0.37 -1.07 0.00 0.00 179.97 179.53 1zck h GLN 135 N 0.00 0.00 0.03 0.04 -0.00 -1.03 -2.57 115.11 111.57 1zck h GLN 135 Ca -0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.65 58.28 1zck h GLN 135 Cb 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.67 1zck h GLN 135 CO 0.02 0.07 -2.26 1.63 0.00 0.00 0.00 178.83 178.28 1zck n LYS 136 N -3.74 0.68 -3.61 1.69 4.01 -0.09 -4.82 118.16 112.28 1zck n LYS 136 Ca -0.02 0.15 -0.29 0.00 -0.51 0.00 0.00 58.31 57.64 1zck n LYS 136 Cb 0.17 -1.59 -0.14 0.00 -0.51 0.00 0.00 35.03 32.95 1zck n LYS 136 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1zck s ARG 137 N -2.53 0.59 0.28 1.97 6.06 0.24 -4.95 118.95 120.62 1zck s ARG 137 Ca -0.23 -1.08 -0.04 0.00 -2.50 0.00 0.00 55.73 51.88 1zck s ARG 137 Cb 0.08 -1.63 0.57 0.00 0.06 0.00 0.00 34.95 34.03 1zck s ARG 137 CO 0.72 -1.07 1.58 0.07 -2.50 0.00 0.00 175.30 174.10 1zck h ARG 138 N 7.78 0.02 -0.77 5.12 0.11 -1.74 -0.88 114.38 124.02 1zck h ARG 138 Ca -0.10 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.96 1zck h ARG 138 Cb 0.99 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.05 1zck h ARG 138 CO 0.42 0.02 0.03 0.41 0.10 0.00 0.00 179.97 180.94 1zck n GLY 139 N -1.52 2.46 0.00 0.08 0.00 -1.26 -4.82 105.19 100.13 1zck n GLY 139 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1zck n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zck n ALA 140 N 0.31 0.00 -2.79 4.61 0.00 -0.34 -4.72 120.51 117.58 1zck n ALA 140 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.36 1zck n ALA 140 Cb 0.84 0.16 -0.06 0.00 0.00 0.00 0.00 19.45 20.39 1zck n ALA 140 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1zck s PHE 141 N -1.69 3.13 0.44 0.00 0.40 -1.26 -4.82 117.98 114.19 1zck s PHE 141 Ca 0.00 -0.02 0.08 0.00 -0.60 0.00 0.00 56.93 56.39 1zck s PHE 141 Cb 0.00 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 42.04 1zck s PHE 141 CO 0.00 0.52 0.53 0.54 0.70 0.00 0.00 175.22 177.51 1zck s ASN 142 N -3.09 5.35 0.15 1.36 2.20 -1.26 -4.94 114.94 114.72 1zck s ASN 142 Ca 0.31 -0.61 -0.21 0.00 -0.94 0.00 0.00 52.86 51.40 1zck s ASN 142 Cb -0.10 -0.46 0.05 0.00 -2.00 0.00 0.00 41.25 38.74 1zck s ASN 142 CO 0.23 -0.82 1.64 0.77 -2.94 0.00 0.00 177.10 175.98 1zck h SER 143 N 0.70 -0.70 -0.96 3.54 4.64 -2.00 -1.64 113.55 117.14 1zck h SER 143 Ca -0.39 0.14 0.12 0.00 -0.47 0.00 0.00 61.79 61.19 1zck h SER 143 Cb 1.28 0.35 -0.09 0.00 -0.31 0.00 0.00 62.40 63.63 1zck h SER 143 CO 0.49 -0.25 0.59 0.11 -0.87 0.00 0.00 176.83 176.89 1zck h LYS 144 N -0.20 0.88 -0.39 4.77 1.57 -1.99 -1.19 116.57 120.03 1zck h LYS 144 Ca 0.15 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 1zck h LYS 144 Cb 0.43 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1zck h LYS 144 CO -0.40 0.58 -0.37 1.96 -0.57 0.00 0.00 179.45 180.65 1zck h GLN 145 N 0.91 0.93 -0.79 3.15 4.20 -1.74 -2.63 115.11 119.14 1zck h GLN 145 Ca 0.48 -0.48 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1zck h GLN 145 Cb 0.52 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1zck h GLN 145 CO -0.28 1.14 0.35 -0.07 -0.67 0.00 0.00 178.83 179.30 1zck h LEU 146 N 0.76 1.06 -0.58 1.46 3.38 -0.57 -1.13 115.31 119.69 1zck h LEU 146 Ca 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1zck h LEU 146 Cb 0.97 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1zck h LEU 146 CO 0.09 0.91 0.30 -0.07 0.09 0.00 0.00 178.44 179.76 1zck h LEU 147 N 1.14 0.75 0.00 1.67 -0.00 -1.09 -1.83 115.31 115.94 1zck h LEU 147 Ca 0.27 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1zck h LEU 147 Cb 0.16 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1zck h LEU 147 CO -0.03 0.65 -0.17 0.10 -0.00 0.00 0.00 178.44 178.99 1zck h TYR 148 N 0.79 0.00 0.00 1.13 -0.00 -1.21 -2.92 116.97 114.76 1zck h TYR 148 Ca 0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 58.73 58.80 1zck h TYR 148 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.80 1zck h TYR 148 CO -0.01 0.00 -0.65 -0.07 -0.00 0.00 0.00 178.16 177.43 1zck h LEU 149 N 0.00 0.00 -1.30 0.10 3.38 -0.96 -1.75 115.31 114.78 1zck h LEU 149 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1zck h LEU 149 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1zck h LEU 149 CO 0.00 0.65 -0.33 -0.08 0.09 0.00 0.00 178.44 178.78 1zck h GLU 150 N 0.00 0.04 -0.01 1.13 4.81 -1.15 -2.72 114.58 116.68 1zck h GLU 150 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1zck h GLU 150 Cb 1.17 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1zck h GLU 150 CO 0.08 0.37 -0.52 1.63 -0.73 0.00 0.00 179.01 179.84 1zck n LYS 151 N -4.14 0.71 -1.81 1.92 4.01 -1.05 -4.95 118.16 112.85 1zck n LYS 151 Ca -0.02 -0.53 -0.42 0.00 -0.51 0.00 0.00 58.31 56.83 1zck n LYS 151 Cb 0.38 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.38 1zck n LYS 151 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 1zck s TYR 152 N -2.65 2.92 -0.43 2.13 5.04 -0.68 -4.98 117.35 118.70 1zck s TYR 152 Ca 0.17 0.44 -0.08 0.00 -2.44 0.00 0.00 57.07 55.16 1zck s TYR 152 Cb 0.18 -4.05 0.10 0.00 0.35 0.00 0.00 41.96 38.53 1zck s TYR 152 CO 0.63 -3.98 0.27 1.03 -1.34 0.00 0.00 175.55 172.16 1zck s ARG 153 N 1.27 2.43 0.52 4.97 0.52 -1.26 -5.04 118.95 122.36 1zck s ARG 153 Ca 0.73 -1.64 -0.21 0.00 -0.52 0.00 0.00 55.73 54.09 1zck s ARG 153 Cb -0.47 -3.77 -0.06 0.00 0.52 0.00 0.00 34.95 31.17 1zck s ARG 153 CO 0.32 -1.05 1.23 -1.25 0.02 0.00 0.00 175.30 174.57 1zck s PRO 154 N 1.34 3.36 0.00 3.54 0.04 -1.26 -5.20 135.00 136.82 1zck s PRO 154 Ca 0.05 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1zck s PRO 154 Cb -0.24 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1zck s PRO 154 CO -0.00 -0.92 0.00 1.63 0.04 0.00 0.00 177.00 177.75 1zck n LYS 155 N -0.96 0.00 0.00 4.56 5.02 -1.26 -5.13 118.16 120.39 1zck n LYS 155 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1zck n LYS 155 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 1zck n LYS 155 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1zck n ARG 157 N 0.00 0.00 -2.23 1.97 5.12 -1.26 -5.19 116.66 115.08 1zck n ARG 157 Ca 0.00 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.51 1zck n ARG 157 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 1zck n ARG 157 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1zck s LEU 158 N 0.00 4.46 0.03 0.55 1.43 -1.26 -5.03 118.68 118.86 1zck s LEU 158 Ca 0.00 2.53 0.02 0.00 -1.03 0.00 0.00 54.13 55.65 1zck s LEU 158 Cb 0.00 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 1zck s LEU 158 CO 0.00 -0.43 0.01 -0.13 0.23 0.00 0.00 176.35 176.03 1zck s ARG 159 N -1.39 2.74 0.00 1.70 0.52 -1.26 -4.98 118.95 116.28 1zck s ARG 159 Ca 0.49 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1zck s ARG 159 Cb -0.37 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.45 1zck s ARG 159 CO 0.47 0.60 0.17 1.19 0.02 0.00 0.00 175.30 177.75