#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 s VAL 2 N 0.00 3.83 -0.05 1.12 0.11 -1.26 -4.10 120.40 120.04 3kc4 s VAL 2 Ca 0.00 -0.41 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 3kc4 s VAL 2 Cb 0.00 -2.62 0.02 0.00 -1.53 0.00 0.00 36.38 32.25 3kc4 s VAL 2 CO 0.00 0.55 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.36 3kc4 s THR 3 N -0.29 0.76 0.09 5.04 2.01 -0.75 -3.72 115.64 118.77 3kc4 s THR 3 Ca 0.05 -0.25 -0.23 0.00 0.31 0.00 0.00 61.69 61.56 3kc4 s THR 3 Cb -0.13 -0.75 -0.07 0.00 0.01 0.00 0.00 72.50 71.57 3kc4 s THR 3 CO 0.02 0.28 0.70 0.27 -0.69 0.00 0.00 174.62 175.20 3kc4 s ILE 4 N 0.86 4.62 0.21 1.82 -4.36 -1.25 -4.01 121.20 119.10 3kc4 s ILE 4 Ca -0.12 1.51 -0.23 0.00 -0.26 0.00 0.00 60.65 61.55 3kc4 s ILE 4 Cb -0.15 -4.05 0.04 0.00 1.25 0.00 0.00 42.46 39.56 3kc4 s ILE 4 CO 0.01 0.47 0.77 0.00 0.24 0.00 0.00 174.94 176.44 3kc4 s ARG 5 N -0.71 1.49 0.37 0.37 1.70 -1.24 -1.74 118.95 119.18 3kc4 s ARG 5 Ca 0.34 -0.78 -0.05 0.00 -0.47 0.00 0.00 55.73 54.78 3kc4 s ARG 5 Cb -0.21 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.66 3kc4 s ARG 5 CO 0.22 -0.68 0.64 -0.51 -1.08 0.00 0.00 175.30 173.90 3kc4 s LEU 6 N -2.87 3.90 0.07 -1.89 1.43 -1.26 -2.68 118.68 115.39 3kc4 s LEU 6 Ca 0.09 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 53.86 3kc4 s LEU 6 Cb -0.04 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.54 3kc4 s LEU 6 CO 0.02 -0.35 0.23 0.00 0.23 0.00 0.00 176.35 176.48 3kc4 s ALA 7 N -2.35 -0.42 0.62 4.21 0.00 -0.74 -4.83 121.76 118.25 3kc4 s ALA 7 Ca 0.45 -0.35 -0.19 0.00 0.00 0.00 0.00 51.96 51.87 3kc4 s ALA 7 Cb -0.10 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 3kc4 s ALA 7 CO 0.35 -0.46 1.31 0.50 0.00 0.00 0.00 175.76 177.46 3kc4 s ARG 8 N -3.25 2.72 0.00 0.00 6.06 -1.26 -2.20 118.95 121.02 3kc4 s ARG 8 Ca 0.00 2.10 0.00 0.00 -2.50 0.00 0.00 55.73 55.33 3kc4 s ARG 8 Cb 0.02 -1.95 0.00 0.00 0.06 0.00 0.00 34.95 33.08 3kc4 s ARG 8 CO -0.08 -1.48 0.00 1.58 -2.50 0.00 0.00 175.30 172.82 3kc4 n HIS 9 N -1.67 0.00 -2.53 5.12 -0.00 -0.04 -4.64 115.22 111.45 3kc4 n HIS 9 Ca 0.14 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.63 3kc4 n HIS 9 Cb 0.47 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.54 3kc4 n HIS 9 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3kc4 s GLY 10 N -0.60 1.78 0.77 1.57 0.00 -0.85 -4.72 107.32 105.26 3kc4 s GLY 10 Ca 0.00 -1.46 -0.13 0.00 0.00 0.00 0.00 44.72 43.14 3kc4 s GLY 10 CO 0.00 -1.01 0.48 0.00 0.00 0.00 0.00 173.10 172.57 3kc4 n ALA 11 N -2.70 -2.67 -2.04 3.20 0.00 -0.75 -4.63 120.51 110.92 3kc4 n ALA 11 Ca 0.11 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.31 3kc4 n ALA 11 Cb 0.60 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 3kc4 n ALA 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3kc4 s LYS 12 N -4.14 4.25 -1.17 0.00 2.20 -1.26 -2.88 119.74 116.75 3kc4 s LYS 12 Ca 0.36 2.21 -0.12 0.00 -0.36 0.00 0.00 55.97 58.06 3kc4 s LYS 12 Cb -0.06 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.92 3kc4 s LYS 12 CO 0.30 -0.57 0.79 1.63 -0.36 0.00 0.00 175.35 177.13 3kc4 n LYS 13 N 4.43 -2.34 -2.75 4.03 5.02 -1.26 -4.95 118.16 120.34 3kc4 n LYS 13 Ca 0.13 0.58 0.01 0.00 -2.02 0.00 0.00 58.31 57.02 3kc4 n LYS 13 Cb 0.41 -4.75 0.01 0.00 -0.02 0.00 0.00 35.03 30.68 3kc4 n LYS 13 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3kc4 s ARG 14 N -5.65 0.18 -0.22 1.97 6.06 -1.14 -5.13 118.95 115.02 3kc4 s ARG 14 Ca 0.35 -0.08 -0.15 0.00 -2.50 0.00 0.00 55.73 53.35 3kc4 s ARG 14 Cb -0.10 0.02 -0.04 0.00 0.06 0.00 0.00 34.95 34.89 3kc4 s ARG 14 CO 0.82 -0.26 0.37 -1.25 -2.50 0.00 0.00 175.30 172.49 3kc4 s PRO 15 N 1.81 4.12 0.26 5.12 0.04 -1.26 -1.81 135.00 143.28 3kc4 s PRO 15 Ca 0.16 0.11 0.09 0.00 0.04 0.00 0.00 61.00 61.41 3kc4 s PRO 15 Cb 0.05 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 3kc4 s PRO 15 CO -0.14 -0.10 -0.01 0.12 0.04 0.00 0.00 177.00 176.92 3kc4 s PHE 16 N 1.50 2.70 0.19 0.56 2.19 -1.26 -4.27 117.98 119.59 3kc4 s PHE 16 Ca 0.17 -0.22 0.01 0.00 0.33 0.00 0.00 56.93 57.22 3kc4 s PHE 16 Cb -0.15 -1.21 -0.05 0.00 -1.31 0.00 0.00 43.02 40.31 3kc4 s PHE 16 CO 0.08 0.61 0.06 0.71 1.83 0.00 0.00 175.22 178.51 3kc4 s TYR 17 N -2.27 1.22 0.04 10.12 4.12 0.83 -0.86 117.35 130.55 3kc4 s TYR 17 Ca 0.31 -1.16 0.00 0.00 0.02 0.00 0.00 57.07 56.24 3kc4 s TYR 17 Cb -0.07 -0.69 -0.03 0.00 -1.52 0.00 0.00 41.96 39.66 3kc4 s TYR 17 CO 0.20 -0.36 -0.04 1.14 0.02 0.00 0.00 175.55 176.50 3kc4 s GLN 18 N -4.01 0.46 0.22 -0.62 1.03 -0.93 -1.77 119.66 114.04 3kc4 s GLN 18 Ca 0.30 -0.86 -0.16 0.00 0.04 0.00 0.00 55.36 54.68 3kc4 s GLN 18 Cb 0.07 0.07 -0.08 0.00 0.03 0.00 0.00 33.01 33.10 3kc4 s GLN 18 CO 0.07 -0.05 0.65 0.54 -2.54 0.00 0.00 175.29 173.95 3kc4 s VAL 19 N -2.33 4.74 0.10 3.63 0.11 -1.06 -1.79 120.40 123.78 3kc4 s VAL 19 Ca -0.07 0.95 0.04 0.00 -2.93 0.00 0.00 61.98 59.98 3kc4 s VAL 19 Cb -0.04 -3.73 -0.03 0.00 -1.53 0.00 0.00 36.38 31.05 3kc4 s VAL 19 CO -0.04 0.10 -0.12 0.54 -3.33 0.00 0.00 175.10 172.25 3kc4 s VAL 20 N -1.64 1.06 -0.31 2.04 0.11 -1.09 -2.30 120.40 118.27 3kc4 s VAL 20 Ca 0.44 -1.59 -0.12 0.00 -2.93 0.00 0.00 61.98 57.79 3kc4 s VAL 20 Cb -0.14 -1.33 -0.03 0.00 -1.53 0.00 0.00 36.38 33.35 3kc4 s VAL 20 CO 0.20 -0.46 0.21 -0.69 -3.33 0.00 0.00 175.10 171.03 3kc4 s VAL 21 N -2.13 5.29 0.25 2.04 1.01 -0.53 -3.72 120.40 122.61 3kc4 s VAL 21 Ca 0.05 -0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 3kc4 s VAL 21 Cb -0.05 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.73 3kc4 s VAL 21 CO 0.01 0.13 0.61 0.00 0.00 0.00 0.00 175.10 175.86 3kc4 s ALA 22 N 1.74 -0.94 0.23 5.51 0.00 -1.26 -4.31 121.76 122.74 3kc4 s ALA 22 Ca 0.07 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.66 3kc4 s ALA 22 Cb -0.17 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 3kc4 s ALA 22 CO 0.11 -0.93 0.38 -0.51 0.00 0.00 0.00 175.76 174.80 3kc4 s ASP 23 N -2.93 6.33 0.28 0.00 1.11 -1.26 -1.81 116.67 118.38 3kc4 s ASP 23 Ca 0.13 0.19 -0.00 0.00 0.18 0.00 0.00 52.55 53.05 3kc4 s ASP 23 Cb -0.03 -1.92 0.39 0.00 1.07 0.00 0.00 42.92 42.43 3kc4 s ASP 23 CO 0.05 -0.08 1.78 0.77 1.18 0.00 0.00 175.17 178.86 3kc4 h SER 24 N 1.40 0.69 -0.93 0.27 4.64 -1.78 -3.31 113.55 114.53 3kc4 h SER 24 Ca -0.50 -0.16 0.10 0.00 -0.47 0.00 0.00 61.79 60.76 3kc4 h SER 24 Cb 1.22 -0.18 -0.08 0.00 -0.31 0.00 0.00 62.40 63.05 3kc4 h SER 24 CO 0.63 0.77 0.57 0.03 -0.87 0.00 0.00 176.83 177.96 3kc4 h ARG 25 N 0.67 0.90 -5.96 4.77 2.47 -1.95 -3.39 114.38 111.88 3kc4 h ARG 25 Ca 0.13 -0.05 -0.56 0.00 -1.26 0.00 0.00 59.98 58.23 3kc4 h ARG 25 Cb 0.45 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.56 3kc4 h ARG 25 CO 0.02 0.59 1.48 1.21 0.56 0.00 0.00 179.97 183.84 3kc4 s ASN 26 N -5.67 5.33 0.52 7.04 3.84 -1.25 -4.99 114.94 119.77 3kc4 s ASN 26 Ca -0.12 1.63 -0.21 0.00 0.21 0.00 0.00 52.86 54.37 3kc4 s ASN 26 Cb 0.21 -2.51 -0.06 0.00 -0.55 0.00 0.00 41.25 38.34 3kc4 s ASN 26 CO 0.80 -2.10 1.19 0.00 -2.79 0.00 0.00 177.10 174.20 3kc4 s ALA 27 N 8.81 2.78 0.27 1.71 0.00 -1.26 -4.91 121.76 129.16 3kc4 s ALA 27 Ca 0.96 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 53.59 3kc4 s ALA 27 Cb -0.28 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.31 3kc4 s ALA 27 CO 0.33 -0.89 1.55 -0.98 0.00 0.00 0.00 175.76 175.77 3kc4 s ARG 28 N -3.03 4.17 0.00 0.00 1.04 -1.26 -4.80 118.95 115.07 3kc4 s ARG 28 Ca 0.70 2.49 0.00 0.00 -1.04 0.00 0.00 55.73 57.88 3kc4 s ARG 28 Cb -0.29 -3.06 0.00 0.00 -2.04 0.00 0.00 34.95 29.56 3kc4 s ARG 28 CO 0.34 -0.57 0.00 0.27 -0.04 0.00 0.00 175.30 175.30 3kc4 n ASN 29 N 2.33 0.00 -0.21 -2.89 2.04 -1.26 -5.03 115.26 110.24 3kc4 n ASN 29 Ca 0.08 -0.79 0.00 0.00 -0.44 0.00 0.00 54.58 53.44 3kc4 n ASN 29 Cb 0.38 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.63 3kc4 n ASN 29 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3kc4 n GLY 30 N 0.00 0.86 3.64 4.83 0.00 -1.26 -5.02 105.19 108.24 3kc4 n GLY 30 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3kc4 n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kc4 s ARG 31 N -1.43 3.88 -0.21 1.61 6.06 -1.26 -4.98 118.95 122.62 3kc4 s ARG 31 Ca 0.00 2.14 -0.03 0.00 -2.50 0.00 0.00 55.73 55.35 3kc4 s ARG 31 Cb 0.00 -4.12 -0.00 0.00 0.06 0.00 0.00 34.95 30.89 3kc4 s ARG 31 CO 0.00 -1.22 -0.08 -0.06 -2.50 0.00 0.00 175.30 171.44 3kc4 s PHE 32 N 5.21 2.91 0.23 5.12 2.99 -1.26 -4.81 117.98 128.37 3kc4 s PHE 32 Ca 0.82 -1.09 0.00 0.00 0.00 0.00 0.00 56.93 56.66 3kc4 s PHE 32 Cb -0.34 -2.05 0.00 0.00 0.00 0.00 0.00 43.02 40.63 3kc4 s PHE 32 CO 0.34 -0.60 0.00 -0.89 -0.00 0.00 0.00 175.22 174.07 3kc4 n ILE 33 N 4.71 0.00 -3.57 0.64 2.08 -1.26 -5.14 119.36 116.81 3kc4 n ILE 33 Ca -0.19 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 62.98 3kc4 n ILE 33 Cb 0.51 -0.22 -0.06 0.00 -0.75 0.00 0.00 39.64 39.12 3kc4 n ILE 33 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3kc4 s GLU 34 N -1.64 0.83 1.01 0.38 -1.05 -1.26 -5.09 118.70 111.88 3kc4 s GLU 34 Ca 0.00 0.39 -0.15 0.00 -0.15 0.00 0.00 54.97 55.07 3kc4 s GLU 34 Cb 0.00 0.39 0.20 0.00 -0.44 0.00 0.00 34.13 34.28 3kc4 s GLU 34 CO 0.00 -0.22 1.16 1.03 0.95 0.00 0.00 175.26 178.18 3kc4 s ARG 35 N -0.73 0.32 -0.24 -4.83 0.52 -1.26 -1.45 118.95 111.27 3kc4 s ARG 35 Ca -0.05 0.09 0.18 0.00 -0.52 0.00 0.00 55.73 55.43 3kc4 s ARG 35 Cb -0.02 -1.76 0.43 0.00 0.52 0.00 0.00 34.95 34.12 3kc4 s ARG 35 CO 0.04 -2.72 1.27 1.55 0.02 0.00 0.00 175.30 175.46 3kc4 n VAL 36 N -4.09 0.60 0.00 3.52 3.14 -0.97 -4.03 118.33 116.49 3kc4 n VAL 36 Ca 0.10 -1.83 0.00 0.00 -2.96 0.00 0.00 64.34 59.65 3kc4 n VAL 36 Cb 0.59 1.11 0.00 0.00 -1.06 0.00 0.00 33.84 34.48 3kc4 n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kc4 n GLY 37 N -0.79 3.35 3.24 7.55 0.00 -1.25 -4.61 105.19 112.67 3kc4 n GLY 37 Ca -0.05 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 3kc4 n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kc4 s PHE 38 N -2.09 -0.28 -0.03 1.61 -0.12 0.28 -2.58 117.98 114.78 3kc4 s PHE 38 Ca 0.00 0.58 0.00 0.00 -0.05 0.00 0.00 56.93 57.46 3kc4 s PHE 38 Cb 0.00 0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.53 3kc4 s PHE 38 CO 0.00 -0.30 0.00 -0.06 -0.05 0.00 0.00 175.22 174.81 3kc4 s PHE 39 N -0.64 0.27 -0.22 3.49 0.40 -0.73 -0.84 117.98 119.71 3kc4 s PHE 39 Ca -0.07 0.01 -0.15 0.00 -0.60 0.00 0.00 56.93 56.12 3kc4 s PHE 39 Cb -0.04 -0.36 -0.04 0.00 0.51 0.00 0.00 43.02 43.09 3kc4 s PHE 39 CO 0.03 -0.11 0.34 1.21 0.70 0.00 0.00 175.22 177.38 3kc4 s ASN 40 N 0.93 6.34 0.53 1.36 2.47 -0.52 -0.12 114.94 125.94 3kc4 s ASN 40 Ca -0.09 0.40 0.20 0.00 0.42 0.00 0.00 52.86 53.79 3kc4 s ASN 40 Cb -0.13 -2.20 1.41 0.00 -1.45 0.00 0.00 41.25 38.89 3kc4 s ASN 40 CO -0.02 -0.05 2.16 -0.65 -3.72 0.00 0.00 177.10 174.82 3kc4 h PRO 41 N 7.48 0.00 0.00 0.43 0.11 -1.91 -2.69 132.00 135.42 3kc4 h PRO 41 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3kc4 h PRO 41 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kc4 h PRO 41 CO 0.70 0.03 -1.43 -0.89 -0.21 0.00 0.00 178.00 176.19 3kc4 n ILE 42 N -4.27 0.00 -3.53 4.15 5.41 -1.26 -5.03 119.36 114.83 3kc4 n ILE 42 Ca -0.03 -0.29 -0.21 0.00 1.00 0.00 0.00 62.75 63.22 3kc4 n ILE 42 Cb 0.11 0.35 0.08 0.00 -0.71 0.00 0.00 39.64 39.48 3kc4 n ILE 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kc4 n ALA 43 N -1.85 -1.55 -2.08 -1.39 0.00 -1.02 -5.01 120.51 107.61 3kc4 n ALA 43 Ca -0.01 0.25 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 3kc4 n ALA 43 Cb 0.33 -4.44 0.02 0.00 0.00 0.00 0.00 19.45 15.37 3kc4 n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kc4 s SER 44 N -3.68 5.80 0.35 0.00 0.15 -1.26 -4.98 113.70 110.08 3kc4 s SER 44 Ca 0.38 0.89 -0.28 0.00 0.70 0.00 0.00 55.95 57.64 3kc4 s SER 44 Cb -0.17 -1.94 -0.12 0.00 -1.71 0.00 0.00 66.02 62.08 3kc4 s SER 44 CO 0.73 -0.96 1.33 -1.84 1.20 0.00 0.00 173.24 173.70 3kc4 n GLU 45 N -2.57 2.24 0.00 5.44 0.28 -1.26 -4.45 120.64 120.32 3kc4 n GLU 45 Ca 0.04 0.79 0.00 0.00 -0.16 0.00 0.00 57.16 57.83 3kc4 n GLU 45 Cb 0.57 -2.40 0.00 0.00 1.43 0.00 0.00 31.44 31.04 3kc4 n GLU 45 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3kc4 n LYS 46 N 0.54 0.00 -0.66 3.44 5.02 -1.26 -4.95 118.16 120.29 3kc4 n LYS 46 Ca 0.04 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3kc4 n LYS 46 Cb 0.37 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 3kc4 n LYS 46 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3kc4 n GLU 47 N 0.00 0.00 0.00 1.97 2.13 -1.26 -4.79 120.64 118.69 3kc4 n GLU 47 Ca 0.00 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3kc4 n GLU 47 Cb 0.39 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.69 3kc4 n GLU 47 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3kc4 n GLU 48 N -1.41 0.00 0.10 5.31 2.13 -1.26 -5.04 120.64 120.46 3kc4 n GLU 48 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 3kc4 n GLU 48 Cb 0.14 0.00 0.40 0.00 0.27 0.00 0.00 31.44 32.25 3kc4 n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kc4 n GLY 49 N 0.00 -1.68 2.89 8.31 0.00 -1.26 -4.73 105.19 108.72 3kc4 n GLY 49 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 3kc4 n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kc4 s THR 50 N -3.10 0.80 -0.05 2.61 2.01 -1.26 -1.44 115.64 115.21 3kc4 s THR 50 Ca 0.11 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 61.93 3kc4 s THR 50 Cb 0.13 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.81 3kc4 s THR 50 CO 0.60 0.32 -0.07 -0.60 -0.69 0.00 0.00 174.62 174.17 3kc4 s ARG 51 N 1.51 1.17 0.04 4.92 3.52 -0.02 -4.97 118.95 125.12 3kc4 s ARG 51 Ca -0.00 -0.23 -0.17 0.00 -0.13 0.00 0.00 55.73 55.21 3kc4 s ARG 51 Cb -0.13 -1.06 -0.24 0.00 -1.56 0.00 0.00 34.95 31.96 3kc4 s ARG 51 CO -0.05 -0.04 1.14 -0.07 -0.81 0.00 0.00 175.30 175.47 3kc4 h LEU 52 N 7.10 0.75 -1.89 -0.88 4.07 -1.93 0.82 115.31 123.34 3kc4 h LEU 52 Ca -0.35 -0.76 -0.24 0.00 0.08 0.00 0.00 57.88 56.61 3kc4 h LEU 52 Cb 1.17 -0.23 0.13 0.00 1.08 0.00 0.00 40.66 42.81 3kc4 h LEU 52 CO 0.47 1.41 -0.59 -0.67 -1.08 0.00 0.00 178.44 177.98 3kc4 n ASP 53 N -4.01 -2.67 -2.90 -0.43 2.03 -1.26 -4.50 116.55 102.82 3kc4 n ASP 53 Ca -0.11 -0.48 -0.30 0.00 0.52 0.00 0.00 54.79 54.42 3kc4 n ASP 53 Cb 0.80 -3.98 -0.07 0.00 -0.72 0.00 0.00 41.12 37.15 3kc4 n ASP 53 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3kc4 n LEU 54 N -3.25 7.48 0.00 -2.67 4.77 -1.26 -3.40 117.00 118.67 3kc4 n LEU 54 Ca -0.19 -4.09 0.00 0.00 -0.03 0.00 0.00 56.01 51.71 3kc4 n LEU 54 Cb 0.62 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 3kc4 n LEU 54 CO 0.45 1.94 0.00 -0.90 -1.33 0.00 0.00 177.39 177.56 3kc4 n ASP 55 N 2.76 0.00 0.00 -1.43 3.85 -1.26 -4.79 116.55 115.68 3kc4 n ASP 55 Ca 0.64 -1.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.72 3kc4 n ASP 55 Cb 0.45 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.22 3kc4 n ASP 55 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3kc4 n ARG 56 N 0.00 0.00 0.17 0.11 5.12 -1.24 -4.84 116.66 115.97 3kc4 n ARG 56 Ca 0.00 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.00 3kc4 n ARG 56 Cb 0.30 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 31.69 3kc4 n ARG 56 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 3kc4 h ILE 57 N 0.00 0.31 -0.01 0.55 2.10 -1.85 -1.99 117.51 116.63 3kc4 h ILE 57 Ca 0.00 -1.46 0.00 0.00 1.08 0.00 0.00 64.86 64.48 3kc4 h ILE 57 Cb 0.00 2.08 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 3kc4 h ILE 57 CO 0.00 0.18 -0.22 0.00 -1.08 0.00 0.00 178.15 177.03 3kc4 n ALA 58 N -2.17 2.88 0.02 0.18 0.00 -1.26 -4.42 120.51 115.73 3kc4 n ALA 58 Ca 0.02 -0.47 -0.22 0.00 0.00 0.00 0.00 53.44 52.77 3kc4 n ALA 58 Cb 0.62 -0.40 -0.14 0.00 0.00 0.00 0.00 19.45 19.53 3kc4 n ALA 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kc4 h HIS 59 N 1.35 0.50 -1.00 0.00 3.86 -1.75 -3.38 115.15 114.74 3kc4 h HIS 59 Ca 0.00 -0.36 0.11 0.00 -1.16 0.00 0.00 60.37 58.96 3kc4 h HIS 59 Cb 0.40 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 28.77 3kc4 h HIS 59 CO 0.00 1.68 0.63 -1.49 0.86 0.00 0.00 177.93 179.61 3kc4 h TRP 60 N -0.10 1.14 -0.62 2.45 -0.00 -1.59 -3.09 115.95 114.13 3kc4 h TRP 60 Ca -0.37 0.03 0.07 0.00 -0.00 0.00 0.00 58.89 58.62 3kc4 h TRP 60 Cb 1.92 -0.36 -0.06 0.00 -0.00 0.00 0.00 29.16 30.66 3kc4 h TRP 60 CO 0.10 0.47 0.30 0.28 -0.00 0.00 0.00 178.44 179.60 3kc4 h VAL 61 N 1.01 0.89 -0.06 1.49 2.07 -1.78 -1.82 116.25 118.05 3kc4 h VAL 61 Ca 0.48 -0.19 -0.17 0.00 0.82 0.00 0.00 66.70 67.65 3kc4 h VAL 61 Cb 0.44 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3kc4 h VAL 61 CO -0.24 0.10 -0.69 1.23 0.02 0.00 0.00 177.57 177.99 3kc4 h GLY 62 N 0.55 0.31 1.87 2.17 0.00 -1.77 -1.86 103.07 104.34 3kc4 h GLY 62 Ca 0.29 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3kc4 h GLY 62 CO -0.22 0.38 0.00 -1.06 0.00 0.00 0.00 176.54 175.64 3kc4 n GLN 63 N -3.82 0.09 0.00 4.80 6.02 -0.88 -4.85 117.38 118.74 3kc4 n GLN 63 Ca -0.03 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3kc4 n GLN 63 Cb 0.68 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.44 3kc4 n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kc4 n GLY 64 N 0.40 0.64 3.58 1.08 0.00 -0.74 -5.11 105.19 105.05 3kc4 n GLY 64 Ca 0.06 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 3kc4 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kc4 s ALA 65 N 0.00 -1.56 0.31 4.61 0.00 -0.91 -4.85 121.76 119.36 3kc4 s ALA 65 Ca 0.00 0.36 0.09 0.00 0.00 0.00 0.00 51.96 52.41 3kc4 s ALA 65 Cb 0.00 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 3kc4 s ALA 65 CO 0.00 -0.85 0.09 -0.08 0.00 0.00 0.00 175.76 174.92 3kc4 s THR 66 N -3.61 3.23 -0.01 0.00 -1.32 -1.24 -4.46 115.64 108.23 3kc4 s THR 66 Ca 0.06 -1.76 0.06 0.00 -1.21 0.00 0.00 61.69 58.84 3kc4 s THR 66 Cb -0.02 -2.95 -0.02 0.00 -1.51 0.00 0.00 72.50 68.00 3kc4 s THR 66 CO -0.06 -0.25 -0.19 -0.51 -2.21 0.00 0.00 174.62 171.40 3kc4 s ILE 67 N -2.38 1.52 0.34 5.08 2.07 -1.26 -3.79 121.20 122.79 3kc4 s ILE 67 Ca 0.35 -0.87 -0.28 0.00 -1.41 0.00 0.00 60.65 58.44 3kc4 s ILE 67 Cb -0.04 -1.28 -0.10 0.00 0.13 0.00 0.00 42.46 41.18 3kc4 s ILE 67 CO 0.22 0.39 1.29 -0.44 -1.91 0.00 0.00 174.94 174.49 3kc4 s SER 68 N -0.55 6.71 0.24 4.50 0.01 -0.71 -4.96 113.70 118.94 3kc4 s SER 68 Ca 0.07 2.65 -0.01 0.00 1.31 0.00 0.00 55.95 59.98 3kc4 s SER 68 Cb -0.08 -2.64 0.28 0.00 0.21 0.00 0.00 66.02 63.79 3kc4 s SER 68 CO -0.00 -0.57 1.64 0.44 0.41 0.00 0.00 173.24 175.16 3kc4 h ASP 69 N 3.25 0.59 -0.19 2.44 3.32 -1.99 -2.07 116.42 121.77 3kc4 h ASP 69 Ca -0.49 -0.23 -0.18 0.00 0.02 0.00 0.00 57.03 56.14 3kc4 h ASP 69 Cb 1.23 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3kc4 h ASP 69 CO 0.65 0.87 -0.57 -0.09 -1.72 0.00 0.00 179.24 178.38 3kc4 h ARG 70 N 0.49 0.79 0.12 3.56 9.65 -1.96 0.75 114.38 127.79 3kc4 h ARG 70 Ca 0.06 -0.52 0.02 0.00 -1.10 0.00 0.00 59.98 58.44 3kc4 h ARG 70 Cb 0.79 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.41 3kc4 h ARG 70 CO 0.06 1.15 -0.24 0.28 2.80 0.00 0.00 179.97 184.02 3kc4 h VAL 71 N 0.60 0.46 -0.61 0.20 2.07 -1.94 -0.64 116.25 116.39 3kc4 h VAL 71 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 3kc4 h VAL 71 Cb 1.17 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 3kc4 h VAL 71 CO 0.12 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.90 3kc4 h ALA 72 N 0.30 0.77 0.00 1.67 0.00 -1.27 -2.28 119.26 118.45 3kc4 h ALA 72 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kc4 h ALA 72 Cb 0.47 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kc4 h ALA 72 CO -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 178.87 3kc4 n ALA 73 N -2.52 2.38 -0.08 0.00 0.00 0.25 -2.60 120.51 117.94 3kc4 n ALA 73 Ca 0.09 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 3kc4 n ALA 73 Cb 0.31 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.18 3kc4 n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kc4 n LEU 74 N -1.20 0.00 -0.34 0.00 4.77 -0.30 -1.59 117.00 118.35 3kc4 n LEU 74 Ca 0.15 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.14 3kc4 n LEU 74 Cb 0.18 0.42 0.18 0.00 -2.33 0.00 0.00 43.42 41.87 3kc4 n LEU 74 CO 0.19 0.42 1.27 0.40 -1.33 0.00 0.00 177.39 178.34 3kc4 h ILE 75 N 0.00 1.15 -0.08 -0.08 2.04 -1.28 -2.37 117.51 116.88 3kc4 h ILE 75 Ca -0.46 -0.40 -0.20 0.00 1.00 0.00 0.00 64.86 64.80 3kc4 h ILE 75 Cb 2.05 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3kc4 h ILE 75 CO 0.03 0.21 -0.76 0.50 0.00 0.00 0.00 178.15 178.13 3kc4 h LYS 76 N 1.17 0.48 0.00 2.37 1.63 -1.56 0.13 116.57 120.80 3kc4 h LYS 76 Ca 0.38 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3kc4 h LYS 76 Cb 0.05 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 3kc4 h LYS 76 CO -0.12 1.04 0.04 0.39 -3.45 0.00 0.00 179.45 177.34 3kc4 n GLU 77 N -3.85 0.01 0.00 1.90 1.02 -0.62 -0.40 120.64 118.71 3kc4 n GLU 77 Ca -0.05 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 3kc4 n GLU 77 Cb 0.73 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 3kc4 n GLU 77 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3kc4 n VAL 78 N -1.53 0.00 -0.30 2.62 0.24 -0.94 -5.04 118.33 113.38 3kc4 n VAL 78 Ca -0.00 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3kc4 n VAL 78 Cb 0.04 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 3kc4 n VAL 78 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3kc4 n ASN 79 N -0.21 -1.96 0.00 -1.34 4.13 0.47 -5.06 115.26 111.29 3kc4 n ASN 79 Ca 0.00 0.30 0.03 0.00 1.68 0.00 0.00 54.58 56.60 3kc4 n ASN 79 Cb 0.03 -0.13 0.20 0.00 -1.54 0.00 0.00 39.78 38.34 3kc4 n ASN 79 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83