#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vck s TRP 5 N 0.00 3.04 -0.21 1.39 0.52 -1.26 -0.37 118.94 122.06 1vck s TRP 5 Ca 0.00 -0.24 -0.08 0.00 0.02 0.00 0.00 56.10 55.80 1vck s TRP 5 Cb 0.00 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 1vck s TRP 5 CO 0.00 0.01 0.08 -0.51 0.02 0.00 0.00 176.95 176.55 1vck s LEU 6 N 0.28 3.78 -0.04 2.99 1.43 0.96 -4.90 118.68 123.18 1vck s LEU 6 Ca -0.03 0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 1vck s LEU 6 Cb -0.14 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 1vck s LEU 6 CO 0.03 0.11 1.51 -0.75 0.23 0.00 0.00 176.35 177.48 1vck s LYS 7 N 0.74 4.23 -0.09 1.70 2.20 -1.26 -1.26 119.74 126.00 1vck s LYS 7 Ca 0.04 2.05 -0.07 0.00 -0.36 0.00 0.00 55.97 57.63 1vck s LYS 7 Cb -0.13 -3.77 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 1vck s LYS 7 CO 0.02 -0.72 -0.13 0.28 -0.36 0.00 0.00 175.35 174.44 1vck n VAL 8 N 5.09 0.83 -4.03 4.02 0.31 0.80 -4.96 118.33 120.40 1vck n VAL 8 Ca 0.15 0.32 0.04 0.00 -0.01 0.00 0.00 64.34 64.84 1vck n VAL 8 Cb 0.43 -2.00 0.01 0.00 -0.91 0.00 0.00 33.84 31.37 1vck n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vck s ALA 10 N -1.82 3.28 0.30 0.00 0.00 -1.26 0.62 121.76 122.89 1vck s ALA 10 Ca 0.27 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.70 1vck s ALA 10 Cb -0.00 -3.15 0.80 0.00 0.00 0.00 0.00 23.12 20.78 1vck s ALA 10 CO -0.02 -0.04 1.72 0.00 0.00 0.00 0.00 175.76 177.42 1vck h ALA 11 N 6.00 1.63 0.00 0.00 0.00 -0.59 0.44 119.26 126.73 1vck h ALA 11 Ca -0.43 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1vck h ALA 11 Cb 1.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1vck h ALA 11 CO 0.73 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 1vck n SER 12 N -4.94 0.54 -0.08 0.00 3.41 -1.26 -1.90 113.62 109.39 1vck n SER 12 Ca 0.24 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.67 1vck n SER 12 Cb 0.69 -0.78 0.44 0.00 -0.26 0.00 0.00 64.21 64.30 1vck n SER 12 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1vck n ASP 13 N -2.16 0.49 -4.27 4.04 8.00 0.15 -4.74 116.55 118.07 1vck n ASP 13 Ca 0.01 -0.32 -0.36 0.00 0.71 0.00 0.00 54.79 54.83 1vck n ASP 13 Cb 0.13 -0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.09 1vck n ASP 13 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1vck s MET 14 N -2.76 3.01 0.41 -1.24 -1.94 -0.80 -5.02 119.30 110.96 1vck s MET 14 Ca 0.19 -0.88 -0.23 0.00 -1.71 0.00 0.00 55.69 53.06 1vck s MET 14 Cb 0.19 -3.13 -0.10 0.00 2.01 0.00 0.00 34.83 33.79 1vck s MET 14 CO 0.57 -0.39 0.97 -0.65 -0.01 0.00 0.00 175.02 175.52 1vck s GLN 15 N 1.41 4.25 0.30 2.03 -1.52 -1.26 -4.97 119.66 119.90 1vck s GLN 15 Ca 0.02 1.26 -0.29 0.00 -1.95 0.00 0.00 55.36 54.39 1vck s GLN 15 Cb -0.16 -2.37 -0.13 0.00 -0.22 0.00 0.00 33.01 30.13 1vck s GLN 15 CO -0.02 -0.02 1.38 -2.30 -0.25 0.00 0.00 175.29 174.09 1vck n PRO 16 N -0.31 2.20 -0.61 2.91 -0.02 -1.26 -2.06 135.00 135.85 1vck n PRO 16 Ca 0.06 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1vck n PRO 16 Cb 0.52 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1vck n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vck n GLY 17 N 1.45 0.71 3.86 -1.23 0.00 0.14 -4.93 105.19 105.20 1vck n GLY 17 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1vck n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vck s THR 18 N -2.17 3.12 0.07 2.61 -4.23 -0.87 -4.76 115.64 109.42 1vck s THR 18 Ca 0.00 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.21 1vck s THR 18 Cb 0.00 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 1vck s THR 18 CO 0.00 -0.09 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.20 1vck s ILE 19 N -2.38 1.22 -0.06 2.99 1.01 -1.26 -2.05 121.20 120.67 1vck s ILE 19 Ca 0.44 -1.32 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1vck s ILE 19 Cb -0.05 -1.15 0.02 0.00 0.01 0.00 0.00 42.46 41.29 1vck s ILE 19 CO 0.27 -0.18 -0.07 -0.13 0.00 0.00 0.00 174.94 174.84 1vck s ARG 20 N -1.72 1.11 0.09 2.79 1.81 0.32 -4.96 118.95 118.39 1vck s ARG 20 Ca -0.00 -0.19 -0.22 0.00 -1.72 0.00 0.00 55.73 53.60 1vck s ARG 20 Cb -0.10 -1.06 -0.07 0.00 -0.45 0.00 0.00 34.95 33.27 1vck s ARG 20 CO 0.03 -0.08 0.66 0.50 -0.68 0.00 0.00 175.30 175.73 1vck s ARG 21 N 0.96 4.37 -0.17 3.54 3.52 -1.26 -0.04 118.95 129.87 1vck s ARG 21 Ca -0.10 0.91 -0.00 0.00 -0.13 0.00 0.00 55.73 56.41 1vck s ARG 21 Cb -0.14 -3.27 0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1vck s ARG 21 CO 0.00 0.56 -0.06 0.08 -0.81 0.00 0.00 175.30 175.07 1vck s VAL 22 N -0.93 1.17 0.41 7.11 1.01 0.94 -4.96 120.40 125.15 1vck s VAL 22 Ca 0.32 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 1vck s VAL 22 Cb -0.21 -1.33 -0.10 0.00 0.00 0.00 0.00 36.38 34.75 1vck s VAL 22 CO 0.22 0.15 0.98 0.20 0.00 0.00 0.00 175.10 176.65 1vck s ASN 23 N 1.61 6.91 0.17 3.32 0.01 -1.26 0.31 114.94 126.00 1vck s ASN 23 Ca 0.01 1.83 0.09 0.00 -0.71 0.00 0.00 52.86 54.07 1vck s ASN 23 Cb -0.15 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 38.90 1vck s ASN 23 CO -0.08 -0.38 -0.18 -0.13 -1.51 0.00 0.00 177.10 174.82 1vck s ARG 24 N -2.79 1.29 -0.20 -0.60 0.52 -1.26 -4.91 118.95 111.00 1vck s ARG 24 Ca 0.59 -1.42 -0.24 0.00 -0.52 0.00 0.00 55.73 54.14 1vck s ARG 24 Cb -0.15 -1.35 -0.01 0.00 0.52 0.00 0.00 34.95 33.96 1vck s ARG 24 CO 0.19 0.27 0.78 0.08 0.02 0.00 0.00 175.30 176.65 1vck s VAL 25 N -2.07 4.90 -0.74 3.52 1.01 -1.26 -3.83 120.40 121.94 1vck s VAL 25 Ca 0.16 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1vck s VAL 25 Cb -0.06 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1vck s VAL 25 CO 0.07 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1vck n GLY 26 N 3.66 0.23 3.63 4.51 0.00 -1.26 -5.01 105.19 110.95 1vck n GLY 26 Ca 0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 1vck n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vck s ALA 27 N -2.39 -1.74 0.64 4.61 0.00 -1.25 -5.16 121.76 116.46 1vck s ALA 27 Ca 0.00 0.57 -0.17 0.00 0.00 0.00 0.00 51.96 52.36 1vck s ALA 27 Cb 0.00 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 1vck s ALA 27 CO 0.00 -0.87 1.19 0.00 0.00 0.00 0.00 175.76 176.08 1vck s ALA 28 N -3.20 2.42 0.89 0.00 0.00 -1.26 -4.26 121.76 116.36 1vck s ALA 28 Ca 0.09 0.89 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 1vck s ALA 28 Cb -0.01 -3.43 0.13 0.00 0.00 0.00 0.00 23.12 19.81 1vck s ALA 28 CO -0.04 -1.36 1.09 -1.25 0.00 0.00 0.00 175.76 174.21 1vck s PRO 29 N -3.61 1.28 0.33 0.00 0.04 -1.26 -4.50 135.00 127.28 1vck s PRO 29 Ca 0.75 0.80 0.09 0.00 0.04 0.00 0.00 61.00 62.68 1vck s PRO 29 Cb -0.28 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1vck s PRO 29 CO 0.37 -2.22 0.04 -0.51 0.04 0.00 0.00 177.00 174.72 1vck s LEU 30 N -6.20 3.07 -0.07 -3.56 1.43 0.15 -1.31 118.68 112.19 1vck s LEU 30 Ca 0.63 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1vck s LEU 30 Cb -0.18 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.55 1vck s LEU 30 CO 0.57 -0.21 -0.19 0.00 0.23 0.00 0.00 176.35 176.74 1vck s ALA 31 N -2.47 1.77 -0.17 4.21 0.00 0.07 -0.04 121.76 125.13 1vck s ALA 31 Ca 0.35 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 1vck s ALA 31 Cb -0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1vck s ALA 31 CO 0.20 0.27 -0.09 0.08 0.00 0.00 0.00 175.76 176.22 1vck s VAL 32 N 0.24 3.29 -0.05 0.00 1.01 0.94 -1.71 120.40 124.12 1vck s VAL 32 Ca -0.11 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1vck s VAL 32 Cb -0.15 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1vck s VAL 32 CO 0.05 0.48 -0.16 -0.31 0.00 0.00 0.00 175.10 175.16 1vck s TYR 33 N 0.76 2.65 -0.33 5.22 1.51 0.72 -0.52 117.35 127.35 1vck s TYR 33 Ca -0.04 -0.20 -0.07 0.00 -1.01 0.00 0.00 57.07 55.75 1vck s TYR 33 Cb -0.15 -1.61 0.03 0.00 -0.11 0.00 0.00 41.96 40.11 1vck s TYR 33 CO 0.02 0.15 0.11 0.50 -1.11 0.00 0.00 175.55 175.22 1vck s ARG 34 N -0.70 2.81 -0.38 -0.62 3.52 -0.87 -0.96 118.95 121.74 1vck s ARG 34 Ca 0.11 -1.06 -0.07 0.00 -0.13 0.00 0.00 55.73 54.58 1vck s ARG 34 Cb -0.11 -3.48 0.07 0.00 -1.56 0.00 0.00 34.95 29.87 1vck s ARG 34 CO 0.00 -0.60 0.18 0.08 -0.81 0.00 0.00 175.30 174.15 1vck s VAL 35 N 1.46 3.84 0.00 7.11 1.01 0.59 0.25 120.40 134.65 1vck s VAL 35 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1vck s VAL 35 Cb -0.19 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1vck s VAL 35 CO 0.03 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.34 1vck n GLY 36 N 4.81 3.62 0.69 4.51 0.00 -1.26 -0.54 105.19 117.02 1vck n GLY 36 Ca -0.10 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.93 1vck n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vck n ASP 37 N 9.04 2.99 -4.89 1.61 8.00 -1.26 -4.52 116.55 127.51 1vck n ASP 37 Ca 0.00 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.18 1vck n ASP 37 Cb 0.00 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 40.80 1vck n ASP 37 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1vck s GLN 38 N -1.00 3.62 -0.05 -1.24 -1.52 0.30 -5.10 119.66 114.67 1vck s GLN 38 Ca 0.25 -0.07 0.05 0.00 -1.95 0.00 0.00 55.36 53.64 1vck s GLN 38 Cb 0.13 -2.93 -0.01 0.00 -0.22 0.00 0.00 33.01 29.98 1vck s GLN 38 CO 0.17 0.53 -0.21 -0.06 -0.25 0.00 0.00 175.29 175.47 1vck s PHE 39 N -1.53 2.06 0.16 0.91 0.40 -1.26 -0.30 117.98 118.41 1vck s PHE 39 Ca 0.37 -0.60 0.04 0.00 -0.60 0.00 0.00 56.93 56.14 1vck s PHE 39 Cb -0.13 -1.36 -0.05 0.00 0.51 0.00 0.00 43.02 41.99 1vck s PHE 39 CO 0.22 -0.19 -0.07 0.71 0.70 0.00 0.00 175.22 176.59 1vck s TYR 40 N -0.07 1.30 -0.07 0.36 2.02 -0.13 -4.74 117.35 116.02 1vck s TYR 40 Ca -0.04 -0.81 -0.07 0.00 -0.37 0.00 0.00 57.07 55.78 1vck s TYR 40 Cb -0.12 -0.69 0.02 0.00 -0.40 0.00 0.00 41.96 40.76 1vck s TYR 40 CO 0.03 0.03 0.20 0.00 -1.57 0.00 0.00 175.55 174.24 1vck s ALA 41 N -3.38 -0.50 0.31 3.71 0.00 -1.25 -0.20 121.76 120.45 1vck s ALA 41 Ca 0.19 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 1vck s ALA 41 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1vck s ALA 41 CO 0.02 -0.11 0.35 0.95 0.00 0.00 0.00 175.76 176.97 1vck s THR 42 N -0.09 0.00 0.49 0.00 -4.23 -0.69 -1.15 115.64 109.97 1vck s THR 42 Ca -0.02 -1.77 -0.23 0.00 -1.18 0.00 0.00 61.69 58.49 1vck s THR 42 Cb -0.02 -2.53 -0.06 0.00 1.34 0.00 0.00 72.50 71.22 1vck s THR 42 CO 0.01 0.00 1.25 -1.61 -0.54 0.00 0.00 174.62 173.73 1vck s GLU 43 N -3.46 3.51 0.36 3.99 2.02 -0.89 -0.75 118.70 123.48 1vck s GLU 43 Ca 0.34 1.99 0.19 0.00 0.02 0.00 0.00 54.97 57.52 1vck s GLU 43 Cb 0.02 -2.36 0.24 0.00 0.10 0.00 0.00 34.13 32.13 1vck s GLU 43 CO 0.20 -0.82 1.54 0.22 0.02 0.00 0.00 175.26 176.43 1vck h ASP 44 N 1.84 0.00 -3.36 -0.19 3.58 -1.43 -3.40 116.42 113.46 1vck h ASP 44 Ca -0.50 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.38 1vck h ASP 44 Cb 1.27 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.26 1vck h ASP 44 CO 0.59 0.26 0.12 -0.89 -2.88 0.00 0.00 179.24 176.44 1vck s THR 45 N -3.11 5.03 0.49 2.25 2.01 -1.26 0.06 115.64 121.10 1vck s THR 45 Ca 0.05 1.43 -0.24 0.00 0.31 0.00 0.00 61.69 63.24 1vck s THR 45 Cb 0.07 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 1vck s THR 45 CO 0.70 0.21 1.41 0.00 -0.69 0.00 0.00 174.62 176.25 1vck n THR 47 N -0.54 0.00 0.60 0.00 -2.24 -1.26 -3.50 114.28 107.33 1vck n THR 47 Ca 0.07 -0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1vck n THR 47 Cb 0.43 -0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 68.30 1vck n THR 47 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1vck n HIS 48 N -1.44 0.19 -3.81 4.78 -0.00 -1.26 -4.88 115.22 108.80 1vck n HIS 48 Ca 0.08 0.05 0.02 0.00 -0.00 0.00 0.00 57.72 57.88 1vck n HIS 48 Cb 0.32 -0.36 0.01 0.00 -0.00 0.00 0.00 29.99 29.95 1vck n HIS 48 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1vck s GLY 49 N -3.61 -0.26 -1.23 1.57 0.00 -1.23 -5.05 107.32 97.50 1vck s GLY 49 Ca 0.03 0.36 -0.20 0.00 0.00 0.00 0.00 44.72 44.91 1vck s GLY 49 CO 0.82 3.07 1.77 -0.42 0.00 0.00 0.00 173.10 178.33 1vck s ILE 50 N -2.17 3.93 -0.01 0.90 -1.09 -1.26 -4.04 121.20 117.46 1vck s ILE 50 Ca 0.22 -1.50 -0.02 0.00 -2.23 0.00 0.00 60.65 57.13 1vck s ILE 50 Cb 0.02 -4.99 -0.00 0.00 -1.58 0.00 0.00 42.46 35.91 1vck s ILE 50 CO -0.02 -1.72 0.03 0.00 -1.23 0.00 0.00 174.94 172.00 1vck s ALA 51 N 6.22 -0.07 -0.30 9.38 0.00 -1.26 -5.02 121.76 130.71 1vck s ALA 51 Ca 0.57 -0.08 -0.19 0.00 0.00 0.00 0.00 51.96 52.26 1vck s ALA 51 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1vck s ALA 51 CO 0.07 -0.07 0.59 0.45 0.00 0.00 0.00 175.76 176.80 1vck s SER 52 N -0.48 6.47 0.40 0.00 0.15 -1.26 -1.01 113.70 117.96 1vck s SER 52 Ca -0.05 0.42 0.17 0.00 0.70 0.00 0.00 55.95 57.19 1vck s SER 52 Cb -0.03 -2.31 0.86 0.00 -1.71 0.00 0.00 66.02 62.82 1vck s SER 52 CO -0.00 -0.43 1.85 -0.07 1.20 0.00 0.00 173.24 175.79 1vck h LEU 53 N 9.05 0.00 0.00 3.45 3.38 -0.73 -1.84 115.31 128.62 1vck h LEU 53 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1vck h LEU 53 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1vck h LEU 53 CO 0.78 0.32 0.00 -1.54 0.09 0.00 0.00 178.44 178.09 1vck n SER 54 N -3.86 0.00 -1.02 -0.43 3.41 -1.26 -0.47 113.62 109.99 1vck n SER 54 Ca -0.01 0.43 0.12 0.00 -0.26 0.00 0.00 58.87 59.15 1vck n SER 54 Cb 0.40 -0.47 0.16 0.00 -0.26 0.00 0.00 64.21 64.05 1vck n SER 54 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vck n GLU 55 N -1.47 2.37 0.00 4.33 -0.58 -0.69 -4.91 120.64 119.69 1vck n GLU 55 Ca 0.04 -2.03 0.00 0.00 -0.42 0.00 0.00 57.16 54.75 1vck n GLU 55 Cb 0.16 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1vck n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vck n GLY 56 N 1.41 0.75 3.11 0.62 0.00 0.38 -4.73 105.19 106.72 1vck n GLY 56 Ca 0.16 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 1vck n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vck s THR 57 N 1.01 2.04 -0.39 2.61 2.01 -0.49 -4.94 115.64 117.50 1vck s THR 57 Ca 0.00 -0.98 -0.22 0.00 0.31 0.00 0.00 61.69 60.80 1vck s THR 57 Cb 0.00 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.65 1vck s THR 57 CO 0.00 0.49 0.71 -0.22 -0.69 0.00 0.00 174.62 174.91 1vck s LEU 58 N 1.29 4.24 -0.39 4.42 2.96 -1.26 -0.22 118.68 129.72 1vck s LEU 58 Ca 0.04 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1vck s LEU 58 Cb -0.14 -2.89 0.10 0.00 0.50 0.00 0.00 46.19 43.76 1vck s LEU 58 CO -0.12 -0.73 0.16 -0.62 -1.32 0.00 0.00 176.35 173.72 1vck s ASP 59 N 1.90 5.15 1.35 3.68 -1.08 0.05 -4.96 116.67 122.76 1vck s ASP 59 Ca 0.28 -1.97 0.00 0.00 -0.52 0.00 0.00 52.55 50.34 1vck s ASP 59 Cb -0.13 -1.79 0.00 0.00 -1.46 0.00 0.00 42.92 39.54 1vck s ASP 59 CO 0.18 -0.49 0.00 0.61 0.52 0.00 0.00 175.17 175.99 1vck n GLY 60 N 4.55 2.73 0.53 2.66 0.00 -1.26 -1.92 105.19 112.48 1vck n GLY 60 Ca -0.02 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.85 1vck n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vck n ASP 61 N 9.32 2.46 -4.22 1.61 5.75 -1.26 -4.83 116.55 125.38 1vck n ASP 61 Ca 0.00 -3.41 -0.33 0.00 -0.01 0.00 0.00 54.79 51.04 1vck n ASP 61 Cb 0.00 -0.51 -0.15 0.00 -1.03 0.00 0.00 41.12 39.43 1vck n ASP 61 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1vck s VAL 62 N -3.03 2.53 -0.22 2.12 1.01 -0.81 -1.09 120.40 120.91 1vck s VAL 62 Ca 0.37 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 1vck s VAL 62 Cb 0.34 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1vck s VAL 62 CO 0.01 0.51 0.42 -0.51 0.00 0.00 0.00 175.10 175.53 1vck s ILE 63 N 1.04 5.17 -0.20 2.22 1.10 0.19 -0.77 121.20 129.95 1vck s ILE 63 Ca -0.01 0.72 -0.16 0.00 -0.51 0.00 0.00 60.65 60.69 1vck s ILE 63 Cb -0.15 -3.74 -0.04 0.00 0.15 0.00 0.00 42.46 38.68 1vck s ILE 63 CO -0.04 0.21 0.42 -1.61 -2.11 0.00 0.00 174.94 171.80 1vck s GLU 64 N 1.60 4.18 0.59 3.50 2.02 0.69 -1.50 118.70 129.77 1vck s GLU 64 Ca 0.19 0.24 -0.19 0.00 0.02 0.00 0.00 54.97 55.23 1vck s GLU 64 Cb -0.15 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 1vck s GLU 64 CO 0.09 -0.05 1.19 0.00 0.02 0.00 0.00 175.26 176.51 1vck n PRO 66 N -1.56 0.11 -4.36 0.00 -0.02 -1.26 -4.61 135.00 123.29 1vck n PRO 66 Ca 0.13 0.54 -0.19 0.00 -2.02 0.00 0.00 63.50 61.96 1vck n PRO 66 Cb 0.50 -1.81 -0.10 0.00 -0.02 0.00 0.00 33.50 32.07 1vck n PRO 66 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1vck s PHE 67 N -3.34 1.72 0.00 6.00 0.08 -1.26 -4.89 117.98 116.29 1vck s PHE 67 Ca 0.00 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.37 1vck s PHE 67 Cb 0.06 -0.90 0.00 0.00 -0.57 0.00 0.00 43.02 41.61 1vck s PHE 67 CO 0.19 0.25 0.00 0.72 -0.10 0.00 0.00 175.22 176.28 1vck n HIS 68 N -0.43 0.00 -0.83 0.36 8.25 -1.26 -2.25 115.22 119.06 1vck n HIS 68 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1vck n HIS 68 Cb 0.62 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.68 1vck n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vck n GLY 69 N -1.28 0.56 3.81 -1.41 0.00 -1.26 -4.53 105.19 101.08 1vck n GLY 69 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1vck n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vck s GLY 70 N -2.21 1.67 0.00 -0.02 0.00 -0.95 -4.59 107.32 101.21 1vck s GLY 70 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 44.72 44.55 1vck s GLY 70 CO 0.00 0.43 0.81 0.00 0.00 0.00 0.00 173.10 174.34 1vck s ALA 71 N -3.02 -1.78 0.07 3.20 0.00 -1.22 -1.21 121.76 117.80 1vck s ALA 71 Ca 0.59 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.58 1vck s ALA 71 Cb -0.15 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1vck s ALA 71 CO 0.55 -0.61 -0.07 -0.06 0.00 0.00 0.00 175.76 175.58 1vck s PHE 72 N -2.70 0.74 -0.06 0.00 0.40 -0.56 0.78 117.98 116.58 1vck s PHE 72 Ca 0.01 -0.74 -0.24 0.00 -0.60 0.00 0.00 56.93 55.36 1vck s PHE 72 Cb -0.01 -0.44 -0.04 0.00 0.51 0.00 0.00 43.02 43.04 1vck s PHE 72 CO -0.06 -0.14 0.71 1.21 0.70 0.00 0.00 175.22 177.64 1vck s ASN 73 N -2.38 7.00 0.31 1.36 3.84 0.10 -0.64 114.94 124.54 1vck s ASN 73 Ca 0.01 1.21 0.26 0.00 0.21 0.00 0.00 52.86 54.55 1vck s ASN 73 Cb -0.01 -2.42 0.82 0.00 -0.55 0.00 0.00 41.25 39.08 1vck s ASN 73 CO -0.03 -0.12 1.75 -0.37 -2.79 0.00 0.00 177.10 175.54 1vck h VAL 74 N 4.75 0.00 0.16 -5.21 -1.51 -1.44 0.16 116.25 113.16 1vck h VAL 74 Ca -0.41 -0.54 -0.22 0.00 -1.23 0.00 0.00 66.70 64.30 1vck h VAL 74 Cb 1.20 1.48 0.03 0.00 -2.13 0.00 0.00 31.29 31.86 1vck h VAL 74 CO 0.75 0.00 -0.96 0.00 -1.23 0.00 0.00 177.57 176.14 1vck n THR 76 N -4.04 0.00 -0.96 0.00 -2.24 -1.24 -4.99 114.28 100.82 1vck n THR 76 Ca -0.14 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1vck n THR 76 Cb 0.88 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1vck n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vck n GLY 77 N 1.47 0.97 3.78 3.38 0.00 0.54 -4.81 105.19 110.52 1vck n GLY 77 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1vck n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vck s MET 78 N -0.05 4.16 0.40 1.61 -1.94 -1.24 0.10 119.30 122.33 1vck s MET 78 Ca 0.00 1.49 -0.27 0.00 -1.71 0.00 0.00 55.69 55.20 1vck s MET 78 Cb 0.00 -2.52 -0.10 0.00 2.01 0.00 0.00 34.83 34.22 1vck s MET 78 CO 0.00 -0.14 1.45 -2.30 -0.01 0.00 0.00 175.02 174.02 1vck n PRO 79 N -0.11 2.49 -0.00 2.03 -0.02 -1.26 -0.72 135.00 137.41 1vck n PRO 79 Ca 0.05 0.88 0.02 0.00 -2.02 0.00 0.00 63.50 62.43 1vck n PRO 79 Cb 0.50 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 1vck n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vck n ALA 80 N 0.21 2.46 -3.49 3.55 0.00 0.23 -4.73 120.51 118.74 1vck n ALA 80 Ca 0.03 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 1vck n ALA 80 Cb 0.39 -0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 1vck n ALA 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vck s SER 81 N -1.75 -0.60 0.75 0.00 0.15 -1.08 -4.89 113.70 106.28 1vck s SER 81 Ca 0.01 0.96 -0.15 0.00 0.70 0.00 0.00 55.95 57.47 1vck s SER 81 Cb 0.03 0.94 0.04 0.00 -1.71 0.00 0.00 66.02 65.32 1vck s SER 81 CO 0.18 -0.37 1.17 -0.24 1.20 0.00 0.00 173.24 175.19 1vck n SER 82 N 2.00 1.14 -0.48 5.45 2.88 -1.26 -2.41 113.62 120.93 1vck n SER 82 Ca -0.16 0.66 0.05 0.00 -1.33 0.00 0.00 58.87 58.09 1vck n SER 82 Cb 0.56 -1.50 0.17 0.00 -0.75 0.00 0.00 64.21 62.70 1vck n SER 82 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1vck n PRO 83 N -2.64 1.61 -2.00 -1.46 -0.04 -1.26 -3.47 135.00 125.74 1vck n PRO 83 Ca 0.14 -0.94 -0.41 0.00 -0.04 0.00 0.00 63.50 62.24 1vck n PRO 83 Cb 0.50 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.70 1vck n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vck n THR 85 N 2.22 0.00 -3.34 0.00 -2.24 -1.26 -4.80 114.28 104.86 1vck n THR 85 Ca 0.06 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.46 1vck n THR 85 Cb 0.40 -0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.46 1vck n THR 85 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1vck s VAL 86 N -0.94 5.16 0.51 2.28 1.01 -1.26 -4.84 120.40 122.32 1vck s VAL 86 Ca 0.00 0.76 -0.22 0.00 0.00 0.00 0.00 61.98 62.53 1vck s VAL 86 Cb 0.00 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1vck s VAL 86 CO 0.00 0.20 1.24 -2.84 0.00 0.00 0.00 175.10 173.70 1vck s PRO 87 N 1.63 3.40 0.47 2.72 0.02 -1.26 -4.72 135.00 137.27 1vck s PRO 87 Ca 0.20 1.94 -0.17 0.00 0.02 0.00 0.00 61.00 62.99 1vck s PRO 87 Cb -0.15 -2.27 -0.09 0.00 0.02 0.00 0.00 34.50 32.02 1vck s PRO 87 CO 0.09 -0.89 0.95 -0.51 -0.33 0.00 0.00 177.00 176.30 1vck s LEU 88 N -3.39 3.74 0.32 -5.54 1.43 0.11 -4.99 118.68 110.38 1vck s LEU 88 Ca 0.69 1.55 -0.27 0.00 -1.03 0.00 0.00 54.13 55.07 1vck s LEU 88 Cb -0.33 -4.45 -0.09 0.00 0.03 0.00 0.00 46.19 41.34 1vck s LEU 88 CO 0.39 -0.49 1.01 -0.83 0.23 0.00 0.00 176.35 176.65 1vck s GLY 89 N -2.81 2.88 0.08 -3.19 0.00 -1.26 -4.58 107.32 98.45 1vck s GLY 89 Ca 0.59 0.67 0.06 0.00 0.00 0.00 0.00 44.72 46.04 1vck s GLY 89 CO 0.26 1.16 -0.05 -1.34 0.00 0.00 0.00 173.10 173.13 1vck s VAL 90 N -1.47 3.69 -0.03 1.40 -7.23 -1.26 -2.10 120.40 113.41 1vck s VAL 90 Ca 0.50 -1.08 0.04 0.00 -1.81 0.00 0.00 61.98 59.63 1vck s VAL 90 Cb -0.24 -2.73 -0.00 0.00 0.56 0.00 0.00 36.38 33.97 1vck s VAL 90 CO 0.30 0.15 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.74 1vck s PHE 91 N -1.23 1.32 0.29 2.82 0.40 -0.30 -1.98 117.98 119.30 1vck s PHE 91 Ca 0.23 -0.32 -0.29 0.00 -0.60 0.00 0.00 56.93 55.94 1vck s PHE 91 Cb -0.11 -0.89 -0.10 0.00 0.51 0.00 0.00 43.02 42.42 1vck s PHE 91 CO 0.15 -0.10 1.41 -2.00 0.70 0.00 0.00 175.22 175.39 1vck s GLU 92 N -0.03 4.27 0.04 0.44 2.12 -1.26 -3.80 118.70 120.47 1vck s GLU 92 Ca -0.00 2.32 0.09 0.00 0.36 0.00 0.00 54.97 57.73 1vck s GLU 92 Cb -0.09 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 1vck s GLU 92 CO 0.01 -0.38 -0.25 0.08 -0.54 0.00 0.00 175.26 174.18 1vck s VAL 93 N -0.45 2.05 -0.07 3.70 1.01 -1.26 -1.14 120.40 124.23 1vck s VAL 93 Ca 0.56 -1.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 1vck s VAL 93 Cb -0.42 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1vck s VAL 93 CO 0.48 0.36 0.18 -0.70 0.00 0.00 0.00 175.10 175.43 1vck s GLU 94 N -1.16 0.21 -0.29 2.72 2.56 -0.22 -5.01 118.70 117.51 1vck s GLU 94 Ca 0.11 0.26 -0.05 0.00 0.00 0.00 0.00 54.97 55.29 1vck s GLU 94 Cb -0.10 0.09 0.02 0.00 2.00 0.00 0.00 34.13 36.14 1vck s GLU 94 CO 0.02 -0.03 0.05 0.08 -0.56 0.00 0.00 175.26 174.81 1vck s VAL 95 N 0.16 3.62 -0.25 3.70 1.01 -1.26 -0.71 120.40 126.67 1vck s VAL 95 Ca -0.00 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1vck s VAL 95 Cb -0.02 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.50 1vck s VAL 95 CO -0.00 0.04 -0.13 -0.54 0.00 0.00 0.00 175.10 174.48 1vck s LYS 96 N 1.42 2.37 -1.25 2.72 1.02 -0.40 -4.74 119.74 120.89 1vck s LYS 96 Ca 0.01 -1.25 -0.06 0.00 0.02 0.00 0.00 55.97 54.68 1vck s LYS 96 Cb -0.18 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 1vck s LYS 96 CO 0.01 -0.50 1.08 0.39 -0.92 0.00 0.00 175.35 175.41 1vck n GLU 97 N 4.47 -7.26 -0.98 1.68 1.02 -1.26 -2.41 120.64 115.89 1vck n GLU 97 Ca -0.15 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1vck n GLU 97 Cb 0.43 -5.70 0.00 0.00 -0.02 0.00 0.00 31.44 26.15 1vck n GLU 97 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vck n GLY 98 N -1.74 0.93 3.51 0.62 0.00 -1.26 -5.02 105.19 102.23 1vck n GLY 98 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1vck n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vck s GLU 99 N -0.02 3.59 -0.15 1.61 2.56 -1.01 0.18 118.70 125.46 1vck s GLU 99 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 54.97 54.26 1vck s GLU 99 Cb 0.00 -2.89 -0.03 0.00 2.00 0.00 0.00 34.13 33.21 1vck s GLU 99 CO 0.00 0.29 0.58 0.08 -0.56 0.00 0.00 175.26 175.66 1vck s VAL 100 N 0.22 5.09 0.05 3.70 1.01 0.20 -1.28 120.40 129.39 1vck s VAL 100 Ca -0.02 1.13 0.08 0.00 0.00 0.00 0.00 61.98 63.17 1vck s VAL 100 Cb -0.14 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1vck s VAL 100 CO 0.03 0.20 -0.23 -0.31 0.00 0.00 0.00 175.10 174.79 1vck s TYR 101 N 1.32 2.02 -0.01 5.22 1.51 0.11 -0.14 117.35 127.39 1vck s TYR 101 Ca 0.29 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 1vck s TYR 101 Cb -0.16 -1.20 -0.01 0.00 -0.11 0.00 0.00 41.96 40.48 1vck s TYR 101 CO 0.12 0.12 -0.15 0.54 -1.11 0.00 0.00 175.55 175.07 1vck s VAL 102 N -0.83 1.19 0.21 0.71 0.11 -0.39 -1.05 120.40 120.35 1vck s VAL 102 Ca 0.09 -0.64 -0.30 0.00 -2.93 0.00 0.00 61.98 58.20 1vck s VAL 102 Cb -0.09 -0.99 -0.09 0.00 -1.53 0.00 0.00 36.38 33.67 1vck s VAL 102 CO 0.02 0.34 1.30 0.00 -3.33 0.00 0.00 175.10 173.43 1vck s ALA 103 N -0.34 3.51 -0.73 1.54 0.00 -0.29 -0.03 121.76 125.43 1vck s ALA 103 Ca 0.05 1.11 0.26 0.00 0.00 0.00 0.00 51.96 53.38 1vck s ALA 103 Cb -0.06 -3.47 0.89 0.00 0.00 0.00 0.00 23.12 20.48 1vck s ALA 103 CO -0.01 -0.53 1.77 0.41 0.00 0.00 0.00 175.76 177.41 1vck n GLY 104 N 2.15 -1.58 3.53 0.00 0.00 0.51 -4.72 105.19 105.08 1vck n GLY 104 Ca 0.05 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1vck n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vck s GLU 105 N -3.13 2.81 0.98 1.61 8.01 -1.26 -5.10 118.70 122.63 1vck s GLU 105 Ca 0.10 -0.59 -0.11 0.00 0.01 0.00 0.00 54.97 54.37 1vck s GLU 105 Cb 0.12 -2.57 0.16 0.00 -4.31 0.00 0.00 34.13 27.54 1vck s GLU 105 CO 0.54 0.59 0.96 1.17 0.01 0.00 0.00 175.26 178.53 1vck n LYS 106 N 2.45 -0.88 0.00 1.61 4.81 -1.26 -4.69 118.16 120.20 1vck n LYS 106 Ca -0.18 -0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.06 1vck n LYS 106 Cb 0.53 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.35 1vck n LYS 106 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93