#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 s LEU 10 N 0.00 3.70 -0.13 -1.84 1.43 -1.26 -4.52 118.68 116.05 3kc4 s LEU 10 Ca 0.00 1.24 -0.03 0.00 -1.03 0.00 0.00 54.13 54.31 3kc4 s LEU 10 Cb 0.00 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 3kc4 s LEU 10 CO 0.00 -1.40 -0.03 -1.58 0.23 0.00 0.00 176.35 173.57 3kc4 s GLN 11 N 4.93 3.41 -0.32 1.70 2.00 -1.26 -5.05 119.66 125.07 3kc4 s GLN 11 Ca 0.68 -0.50 0.04 0.00 -2.00 0.00 0.00 55.36 53.58 3kc4 s GLN 11 Cb -0.20 -2.85 0.09 0.00 0.80 0.00 0.00 33.01 30.86 3kc4 s GLN 11 CO 0.31 0.39 0.02 -1.21 -0.50 0.00 0.00 175.29 174.29 3kc4 s GLU 12 N -0.05 1.61 -0.14 1.67 8.01 -1.26 -4.72 118.70 123.82 3kc4 s GLU 12 Ca 0.02 -1.73 -0.12 0.00 0.01 0.00 0.00 54.97 53.15 3kc4 s GLU 12 Cb -0.13 -3.09 0.04 0.00 -4.31 0.00 0.00 34.13 26.64 3kc4 s GLU 12 CO 0.02 -0.86 0.37 0.21 0.01 0.00 0.00 175.26 175.02 3kc4 s LYS 13 N 0.98 0.42 0.15 1.61 2.47 -1.24 -5.09 119.74 119.04 3kc4 s LYS 13 Ca 0.06 0.56 0.02 0.00 -1.56 0.00 0.00 55.97 55.06 3kc4 s LYS 13 Cb -0.19 0.16 -0.04 0.00 -1.46 0.00 0.00 37.83 36.29 3kc4 s LYS 13 CO -0.08 -0.07 -0.04 -0.51 0.16 0.00 0.00 175.35 174.81 3kc4 s LEU 14 N 0.44 2.31 0.00 5.43 1.43 -1.26 -2.14 118.68 124.88 3kc4 s LEU 14 Ca -0.02 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 3kc4 s LEU 14 Cb -0.04 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.06 3kc4 s LEU 14 CO -0.02 -0.49 0.00 -0.38 0.23 0.00 0.00 176.35 175.69 3kc4 n ILE 15 N -0.19 0.00 -2.48 -0.59 5.41 -0.27 -4.80 119.36 116.44 3kc4 n ILE 15 Ca -0.09 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.42 3kc4 n ILE 15 Cb 0.62 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.66 3kc4 n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kc4 s ALA 16 N -2.00 3.49 0.00 -1.39 0.00 -0.70 -4.83 121.76 116.33 3kc4 s ALA 16 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.38 3kc4 s ALA 16 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.97 3kc4 s ALA 16 CO 0.00 -1.53 0.00 1.55 0.00 0.00 0.00 175.76 175.78 3kc4 n VAL 17 N -2.93 0.00 -3.74 0.00 3.14 -1.14 -4.37 118.33 109.29 3kc4 n VAL 17 Ca 0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 3kc4 n VAL 17 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 3kc4 n VAL 17 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3kc4 n ASN 18 N 0.00 0.00 -4.27 6.55 6.94 -1.25 -4.92 115.26 118.30 3kc4 n ASN 18 Ca 0.00 -0.76 -0.15 0.00 -0.02 0.00 0.00 54.58 53.65 3kc4 n ASN 18 Cb 0.00 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.32 3kc4 n ASN 18 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kc4 s ARG 19 N -1.28 1.19 0.34 -3.83 1.04 -1.26 -3.75 118.95 111.40 3kc4 s ARG 19 Ca 0.00 -1.59 0.03 0.00 -1.04 0.00 0.00 55.73 53.14 3kc4 s ARG 19 Cb 0.00 -0.38 -0.02 0.00 -2.04 0.00 0.00 34.95 32.51 3kc4 s ARG 19 CO 0.00 -0.12 0.36 0.14 -0.04 0.00 0.00 175.30 175.64 3kc4 s VAL 20 N -3.58 0.00 -0.01 4.99 -7.23 -1.16 -4.87 120.40 108.55 3kc4 s VAL 20 Ca 0.26 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 3kc4 s VAL 20 Cb 0.06 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.43 3kc4 s VAL 20 CO 0.06 0.00 -0.04 -0.44 -0.31 0.00 0.00 175.10 174.37 3kc4 s SER 21 N -3.32 0.47 -0.03 4.85 0.01 -1.20 -3.06 113.70 111.42 3kc4 s SER 21 Ca 0.37 -0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.45 3kc4 s SER 21 Cb 0.01 -0.08 -0.31 0.00 0.21 0.00 0.00 66.02 65.85 3kc4 s SER 21 CO 0.25 0.03 0.75 0.50 0.41 0.00 0.00 173.24 175.18 3kc4 h LYS 22 N 6.18 0.40 -3.99 12.44 3.64 -1.90 -3.45 116.57 129.90 3kc4 h LYS 22 Ca -0.29 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.41 3kc4 h LYS 22 Cb 1.19 0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 33.22 3kc4 h LYS 22 CO 0.50 1.32 -0.83 2.41 -2.27 0.00 0.00 179.45 180.57 3kc4 n THR 23 N -3.60 -9.09 -0.30 1.00 -1.04 -1.26 -4.92 114.28 95.08 3kc4 n THR 23 Ca -0.22 1.82 0.00 0.00 -2.04 0.00 0.00 64.05 63.60 3kc4 n THR 23 Cb 1.08 -5.19 0.00 0.00 -1.82 0.00 0.00 70.33 64.40 3kc4 n THR 23 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3kc4 n VAL 24 N 1.08 0.00 -2.00 12.58 0.31 -1.26 -4.59 118.33 124.45 3kc4 n VAL 24 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3kc4 n VAL 24 Cb 0.24 0.53 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 3kc4 n VAL 24 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3kc4 n LYS 25 N 0.00 0.00 -0.63 5.55 2.85 -1.26 -4.80 118.16 119.87 3kc4 n LYS 25 Ca 0.00 -0.58 0.00 0.00 -1.05 0.00 0.00 58.31 56.68 3kc4 n LYS 25 Cb 0.00 -0.29 0.00 0.00 -0.65 0.00 0.00 35.03 34.09 3kc4 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kc4 n GLY 26 N 0.00 0.63 0.03 2.58 0.00 -1.26 -4.95 105.19 102.22 3kc4 n GLY 26 Ca 0.00 -0.47 0.14 0.00 0.00 0.00 0.00 46.02 45.68 3kc4 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc4 n GLY 27 N -2.63 -1.54 3.39 -0.02 0.00 -1.26 -4.87 105.19 98.25 3kc4 n GLY 27 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 3kc4 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kc4 n ARG 28 N -1.74 -5.48 -2.93 1.61 5.12 -1.26 -4.85 116.66 107.13 3kc4 n ARG 28 Ca 0.06 0.85 -0.43 0.00 -1.93 0.00 0.00 57.85 56.40 3kc4 n ARG 28 Cb 0.37 -5.84 -0.04 0.00 -1.16 0.00 0.00 32.46 25.79 3kc4 n ARG 28 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3kc4 s ILE 29 N -3.38 4.47 0.00 0.55 -1.09 -1.20 -4.85 121.20 115.71 3kc4 s ILE 29 Ca 0.12 -0.46 -0.25 0.00 -2.23 0.00 0.00 60.65 57.83 3kc4 s ILE 29 Cb -0.02 -4.61 -0.05 0.00 -1.58 0.00 0.00 42.46 36.21 3kc4 s ILE 29 CO 0.74 -1.32 0.75 -0.36 -1.23 0.00 0.00 174.94 173.51 3kc4 s PHE 30 N 3.67 3.67 -0.17 3.97 0.08 -1.17 -3.19 117.98 124.84 3kc4 s PHE 30 Ca 0.20 1.40 0.01 0.00 0.12 0.00 0.00 56.93 58.66 3kc4 s PHE 30 Cb -0.18 -2.82 0.01 0.00 -0.57 0.00 0.00 43.02 39.46 3kc4 s PHE 30 CO 0.10 0.19 -0.18 -1.12 -0.10 0.00 0.00 175.22 174.11 3kc4 s SER 31 N 0.30 3.29 -0.63 1.36 0.01 -1.26 -4.40 113.70 112.37 3kc4 s SER 31 Ca 0.39 -0.60 -0.22 0.00 1.31 0.00 0.00 55.95 56.83 3kc4 s SER 31 Cb -0.19 -1.51 0.07 0.00 0.21 0.00 0.00 66.02 64.60 3kc4 s SER 31 CO 0.21 0.02 0.91 -0.36 0.41 0.00 0.00 173.24 174.44 3kc4 s PHE 32 N 1.16 2.75 0.22 2.43 0.40 0.19 -2.96 117.98 122.16 3kc4 s PHE 32 Ca 0.02 -0.56 0.09 0.00 -0.60 0.00 0.00 56.93 55.88 3kc4 s PHE 32 Cb -0.14 -4.20 -0.05 0.00 0.51 0.00 0.00 43.02 39.14 3kc4 s PHE 32 CO -0.08 -1.55 -0.16 0.99 0.70 0.00 0.00 175.22 175.12 3kc4 s THR 33 N 3.80 1.93 -0.16 0.64 2.01 -1.25 -1.49 115.64 121.12 3kc4 s THR 33 Ca 0.21 -2.23 -0.34 0.00 0.31 0.00 0.00 61.69 59.63 3kc4 s THR 33 Cb -0.18 -2.09 0.14 0.00 0.01 0.00 0.00 72.50 70.38 3kc4 s THR 33 CO 0.11 -0.52 1.23 0.00 -0.69 0.00 0.00 174.62 174.74 3kc4 s ALA 34 N -2.77 -2.11 0.10 7.40 0.00 -0.65 -2.88 121.76 120.86 3kc4 s ALA 34 Ca 0.24 1.42 0.09 0.00 0.00 0.00 0.00 51.96 53.70 3kc4 s ALA 34 Cb -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3kc4 s ALA 34 CO 0.09 -0.69 -0.20 -1.17 0.00 0.00 0.00 175.76 173.79 3kc4 s LEU 35 N -2.34 2.60 0.30 0.00 2.96 -1.26 -0.35 118.68 120.59 3kc4 s LEU 35 Ca 0.10 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3kc4 s LEU 35 Cb 0.00 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 3kc4 s LEU 35 CO -0.04 0.20 0.31 0.42 -1.32 0.00 0.00 176.35 175.91 3kc4 s THR 36 N -1.08 0.00 0.07 3.68 -4.23 -0.91 -1.11 115.64 112.06 3kc4 s THR 36 Ca 0.16 -1.87 -0.07 0.00 -1.18 0.00 0.00 61.69 58.73 3kc4 s THR 36 Cb -0.10 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 3kc4 s THR 36 CO 0.08 0.00 0.15 0.54 -0.54 0.00 0.00 174.62 174.85 3kc4 s VAL 37 N -3.53 0.15 0.37 2.29 0.11 -0.91 -2.73 120.40 116.14 3kc4 s VAL 37 Ca 0.37 -1.22 0.04 0.00 -2.93 0.00 0.00 61.98 58.24 3kc4 s VAL 37 Cb 0.03 -1.26 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 3kc4 s VAL 37 CO 0.22 -0.67 0.13 0.68 -3.33 0.00 0.00 175.10 172.12 3kc4 s VAL 38 N -3.55 0.61 0.00 2.04 -7.23 -1.26 -3.58 120.40 107.42 3kc4 s VAL 38 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 3kc4 s VAL 38 Cb 0.04 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.52 3kc4 s VAL 38 CO -0.09 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 3kc4 n GLY 39 N -0.79 2.38 0.00 2.32 0.00 -1.26 -1.55 105.19 106.30 3kc4 n GLY 39 Ca -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3kc4 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kc4 n ASP 40 N -0.68 0.00 0.00 1.61 8.00 -0.55 -4.00 116.55 120.92 3kc4 n ASP 40 Ca 0.00 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3kc4 n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3kc4 n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kc4 n GLY 41 N 0.00 0.60 0.00 0.44 0.00 -0.25 -2.74 105.19 103.25 3kc4 n GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kc4 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kc4 n ASN 42 N 0.00 0.08 0.00 1.61 3.02 -1.26 -4.23 115.26 114.49 3kc4 n ASN 42 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3kc4 n ASN 42 Cb 0.00 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 3kc4 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kc4 n GLY 43 N 0.33 2.47 0.00 7.41 0.00 -1.23 -3.94 105.19 110.23 3kc4 n GLY 43 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3kc4 n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kc4 n ARG 44 N 1.31 0.00 -0.62 1.61 0.63 -1.26 -3.95 116.66 114.39 3kc4 n ARG 44 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3kc4 n ARG 44 Cb 0.00 -0.03 0.00 0.00 0.45 0.00 0.00 32.46 32.88 3kc4 n ARG 44 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3kc4 n VAL 45 N 0.00 0.00 -1.16 5.15 0.24 -0.59 -1.67 118.33 120.30 3kc4 n VAL 45 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 3kc4 n VAL 45 Cb 0.17 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.65 3kc4 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kc4 n GLY 46 N 0.31 -1.87 0.00 7.63 0.00 -1.11 -4.23 105.19 105.92 3kc4 n GLY 46 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3kc4 n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kc4 n PHE 47 N -3.23 0.00 -3.62 1.61 -0.00 -1.11 -4.52 117.46 106.60 3kc4 n PHE 47 Ca 0.08 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.38 3kc4 n PHE 47 Cb 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.70 3kc4 n PHE 47 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3kc4 s GLY 48 N 0.00 -0.37 -0.23 7.13 0.00 -1.12 -3.25 107.32 109.48 3kc4 s GLY 48 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3kc4 s GLY 48 CO 0.00 0.37 -0.05 -0.19 0.00 0.00 0.00 173.10 173.23 3kc4 s TYR 49 N -1.89 2.26 -0.63 1.90 2.02 -1.26 -2.15 117.35 117.61 3kc4 s TYR 49 Ca -0.09 -1.66 -0.09 0.00 -0.37 0.00 0.00 57.07 54.87 3kc4 s TYR 49 Cb -0.02 -1.53 0.16 0.00 -0.40 0.00 0.00 41.96 40.18 3kc4 s TYR 49 CO 0.02 -0.76 0.51 0.20 -1.57 0.00 0.00 175.55 173.96 3kc4 s GLY 50 N 1.44 2.38 0.45 0.71 0.00 0.53 -4.67 107.32 108.15 3kc4 s GLY 50 Ca -0.05 -3.01 -0.23 0.00 0.00 0.00 0.00 44.72 41.43 3kc4 s GLY 50 CO -0.06 1.15 1.12 0.54 0.00 0.00 0.00 173.10 175.85 3kc4 s LYS 51 N 0.54 3.86 -0.29 2.90 3.01 -1.26 -1.63 119.74 126.87 3kc4 s LYS 51 Ca 0.13 1.66 -0.16 0.00 -1.01 0.00 0.00 55.97 56.59 3kc4 s LYS 51 Cb -0.20 -2.40 0.16 0.00 -1.01 0.00 0.00 37.83 34.38 3kc4 s LYS 51 CO -0.04 -0.44 1.03 0.00 0.51 0.00 0.00 175.35 176.41 3kc4 s ALA 52 N -1.62 -2.44 -0.10 5.17 0.00 -0.56 -4.74 121.76 117.48 3kc4 s ALA 52 Ca 0.63 2.14 0.25 0.00 0.00 0.00 0.00 51.96 54.97 3kc4 s ALA 52 Cb -0.26 -1.83 1.33 0.00 0.00 0.00 0.00 23.12 22.37 3kc4 s ALA 52 CO 0.31 -0.47 1.76 0.07 0.00 0.00 0.00 175.76 177.43 3kc4 h ARG 53 N 6.23 0.00 -6.24 0.00 -0.00 -1.79 0.54 114.38 113.12 3kc4 h ARG 53 Ca -0.25 0.00 -0.66 0.00 -0.00 0.00 0.00 59.98 59.07 3kc4 h ARG 53 Cb 1.17 0.00 -0.13 0.00 -0.00 0.00 0.00 29.97 31.01 3kc4 h ARG 53 CO 0.18 0.00 -0.65 -1.83 -0.00 0.00 0.00 179.97 177.67 3kc4 s GLU 54 N -3.62 2.69 0.13 0.08 -1.05 -1.26 -4.62 118.70 111.05 3kc4 s GLU 54 Ca -0.02 -0.71 -0.16 0.00 -0.15 0.00 0.00 54.97 53.93 3kc4 s GLU 54 Cb 0.07 -2.61 -0.01 0.00 -0.44 0.00 0.00 34.13 31.14 3kc4 s GLU 54 CO 0.23 0.59 1.66 0.28 0.95 0.00 0.00 175.26 178.97 3kc4 h VAL 55 N 3.23 1.21 0.36 1.83 2.07 -1.82 -3.27 116.25 119.85 3kc4 h VAL 55 Ca -0.48 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 3kc4 h VAL 55 Cb 1.17 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3kc4 h VAL 55 CO 0.59 0.24 -0.17 -0.65 0.02 0.00 0.00 177.57 177.59 3kc4 h PRO 56 N 0.50 -0.46 0.00 1.57 0.11 -1.93 -2.58 132.00 129.21 3kc4 h PRO 56 Ca 0.13 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3kc4 h PRO 56 Cb 0.24 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3kc4 h PRO 56 CO -0.01 -0.29 0.00 0.00 -0.21 0.00 0.00 178.00 177.49 3kc4 n ALA 57 N -2.31 1.89 0.24 -0.75 0.00 -1.25 -2.63 120.51 115.71 3kc4 n ALA 57 Ca -0.10 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.44 3kc4 n ALA 57 Cb 0.21 -1.10 0.42 0.00 0.00 0.00 0.00 19.45 18.98 3kc4 n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc4 h ALA 58 N 2.26 0.99 0.00 0.00 0.00 -1.51 -3.26 119.26 117.74 3kc4 h ALA 58 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kc4 h ALA 58 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kc4 h ALA 58 CO 0.00 0.03 -0.98 0.44 0.00 0.00 0.00 179.25 178.74 3kc4 n ILE 59 N -3.11 0.00 0.00 0.00 -5.35 -1.08 -3.12 119.36 106.69 3kc4 n ILE 59 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 3kc4 n ILE 59 Cb 0.43 -0.90 0.00 0.00 -1.74 0.00 0.00 39.64 37.43 3kc4 n ILE 59 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 3kc4 n GLN 60 N -2.06 0.00 0.24 6.28 7.27 -1.18 -0.95 117.38 126.98 3kc4 n GLN 60 Ca 0.00 0.63 0.07 0.00 0.07 0.00 0.00 57.00 57.78 3kc4 n GLN 60 Cb 0.49 -1.02 0.58 0.00 2.41 0.00 0.00 30.24 32.70 3kc4 n GLN 60 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3kc4 h LYS 61 N 0.00 0.00 0.00 3.69 1.57 -1.81 -0.60 116.57 119.42 3kc4 h LYS 61 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3kc4 h LYS 61 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3kc4 h LYS 61 CO 0.00 0.12 -0.33 0.00 -0.57 0.00 0.00 179.45 178.67 3kc4 h ALA 62 N 1.88 0.95 0.00 3.86 0.00 -1.64 -3.12 119.26 121.19 3kc4 h ALA 62 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3kc4 h ALA 62 Cb 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kc4 h ALA 62 CO 0.02 0.41 -1.80 -0.12 0.00 0.00 0.00 179.25 177.76 3kc4 n MET 63 N -3.41 0.65 0.06 0.00 0.00 -0.13 -0.76 117.12 113.53 3kc4 n MET 63 Ca 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 57.70 57.58 3kc4 n MET 63 Cb 0.52 -1.60 -0.01 0.00 0.00 0.00 0.00 33.22 32.13 3kc4 n MET 63 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3kc4 h GLU 64 N 0.00 -0.15 -0.01 2.12 5.08 -1.38 -2.68 114.58 117.55 3kc4 h GLU 64 Ca -0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kc4 h GLU 64 Cb 1.14 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 3kc4 h GLU 64 CO 0.00 -0.10 0.13 0.87 -1.00 0.00 0.00 179.01 178.91 3kc4 h LYS 65 N -0.16 0.00 -0.30 2.33 1.57 -1.65 -2.69 116.57 115.67 3kc4 h LYS 65 Ca -0.02 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3kc4 h LYS 65 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3kc4 h LYS 65 CO 0.02 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.83 3kc4 h ALA 66 N 1.76 0.41 0.00 3.86 0.00 -0.74 -2.64 119.26 121.92 3kc4 h ALA 66 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3kc4 h ALA 66 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kc4 h ALA 66 CO -0.00 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3kc4 h ARG 67 N 0.34 0.00 -2.24 0.00 3.08 -1.14 -3.10 114.38 111.32 3kc4 h ARG 67 Ca 0.08 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.44 3kc4 h ARG 67 Cb 0.56 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.41 3kc4 h ARG 67 CO 0.03 0.00 1.27 0.54 -1.07 0.00 0.00 179.97 180.74 3kc4 n ARG 68 N -2.57 3.76 -3.92 0.04 1.74 -0.99 -4.82 116.66 109.89 3kc4 n ARG 68 Ca -0.01 -3.36 -0.09 0.00 -0.77 0.00 0.00 57.85 53.62 3kc4 n ARG 68 Cb 0.09 -2.38 -0.02 0.00 -1.02 0.00 0.00 32.46 29.12 3kc4 n ARG 68 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3kc4 s ASN 69 N -0.22 -0.05 0.02 0.55 -0.87 -1.17 -4.95 114.94 108.25 3kc4 s ASN 69 Ca 0.52 -0.89 -0.16 0.00 -1.57 0.00 0.00 52.86 50.76 3kc4 s ASN 69 Cb 0.29 0.70 0.03 0.00 -0.02 0.00 0.00 41.25 42.25 3kc4 s ASN 69 CO -0.20 -1.34 0.35 -0.32 -2.57 0.00 0.00 177.10 173.02 3kc4 s MET 70 N -3.58 0.81 0.50 -0.60 1.75 -0.67 -4.76 119.30 112.74 3kc4 s MET 70 Ca 0.17 -0.35 -0.22 0.00 -1.25 0.00 0.00 55.69 54.05 3kc4 s MET 70 Cb -0.04 0.36 -0.06 0.00 2.84 0.00 0.00 34.83 37.93 3kc4 s MET 70 CO 0.10 -0.25 1.21 -1.50 -0.65 0.00 0.00 175.02 173.92 3kc4 s ILE 71 N -2.13 2.82 -0.37 10.11 2.07 -1.23 -4.52 121.20 127.95 3kc4 s ILE 71 Ca -0.08 0.59 0.12 0.00 -1.41 0.00 0.00 60.65 59.88 3kc4 s ILE 71 Cb -0.02 -3.29 0.36 0.00 0.13 0.00 0.00 42.46 39.65 3kc4 s ILE 71 CO -0.00 -0.03 0.79 0.59 -1.91 0.00 0.00 174.94 174.38 3kc4 n ASN 72 N -0.83 0.66 -4.33 4.50 3.02 -1.26 -4.91 115.26 112.12 3kc4 n ASN 72 Ca 0.09 -3.01 -0.32 0.00 -0.03 0.00 0.00 54.58 51.31 3kc4 n ASN 72 Cb 0.48 -0.41 -0.15 0.00 -0.61 0.00 0.00 39.78 39.08 3kc4 n ASN 72 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kc4 s VAL 73 N -2.31 2.43 -0.20 2.41 0.11 -1.26 -4.42 120.40 117.17 3kc4 s VAL 73 Ca 0.37 -0.93 -0.16 0.00 -2.93 0.00 0.00 61.98 58.32 3kc4 s VAL 73 Cb 0.36 -1.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 3kc4 s VAL 73 CO -0.06 0.57 0.42 0.00 -3.33 0.00 0.00 175.10 172.70 3kc4 s ALA 74 N -0.22 3.55 0.36 1.54 0.00 -1.26 -5.02 121.76 120.72 3kc4 s ALA 74 Ca -0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.37 3kc4 s ALA 74 Cb -0.13 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.34 3kc4 s ALA 74 CO 0.03 -0.32 0.60 -0.48 0.00 0.00 0.00 175.76 175.59 3kc4 s LEU 75 N 1.37 0.63 0.21 0.00 0.05 -1.25 -4.53 118.68 115.16 3kc4 s LEU 75 Ca 0.20 -1.37 0.08 0.00 0.05 0.00 0.00 54.13 53.09 3kc4 s LEU 75 Cb -0.15 2.02 -0.05 0.00 -2.05 0.00 0.00 46.19 45.96 3kc4 s LEU 75 CO 0.08 -1.47 -0.15 0.20 -0.55 0.00 0.00 176.35 174.47 3kc4 s ASN 76 N -3.18 2.66 0.79 1.48 -0.87 -1.26 -4.59 114.94 109.97 3kc4 s ASN 76 Ca 0.25 -1.01 0.00 0.00 -1.57 0.00 0.00 52.86 50.52 3kc4 s ASN 76 Cb -0.02 -0.15 0.00 0.00 -0.02 0.00 0.00 41.25 41.06 3kc4 s ASN 76 CO 0.17 -0.15 0.00 0.59 -2.57 0.00 0.00 177.10 175.15 3kc4 n ASN 77 N -0.37 -3.62 0.06 -1.22 3.02 -1.26 -3.52 115.26 108.36 3kc4 n ASN 77 Ca -0.08 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.60 3kc4 n ASN 77 Cb 0.60 0.00 0.39 0.00 -0.61 0.00 0.00 39.78 40.16 3kc4 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kc4 n GLY 78 N 0.00 -1.55 3.28 7.41 0.00 -1.26 -4.72 105.19 108.35 3kc4 n GLY 78 Ca 0.00 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 3kc4 n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kc4 s THR 79 N -3.08 4.08 0.30 2.61 2.01 -1.07 -3.96 115.64 116.54 3kc4 s THR 79 Ca 0.11 -1.26 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 3kc4 s THR 79 Cb 0.15 -3.42 -0.13 0.00 0.01 0.00 0.00 72.50 69.11 3kc4 s THR 79 CO 0.62 -0.36 1.22 -0.11 -0.69 0.00 0.00 174.62 175.29 3kc4 n LEU 80 N 4.88 2.88 0.10 4.42 7.94 -1.23 -4.43 117.00 131.55 3kc4 n LEU 80 Ca -0.11 1.19 -0.18 0.00 -1.11 0.00 0.00 56.01 55.80 3kc4 n LEU 80 Cb 0.44 -1.41 -0.14 0.00 0.53 0.00 0.00 43.42 42.84 3kc4 n LEU 80 CO 0.36 -0.79 -0.19 1.56 -1.11 0.00 0.00 177.39 177.22 3kc4 h GLN 81 N 2.67 0.31 -2.15 1.96 1.08 -1.90 -3.42 115.11 113.66 3kc4 h GLN 81 Ca -0.44 -0.52 -0.56 0.00 -1.45 0.00 0.00 58.65 55.68 3kc4 h GLN 81 Cb 1.30 0.20 -0.41 0.00 -0.05 0.00 0.00 27.48 28.52 3kc4 h GLN 81 CO 0.64 1.22 -0.85 0.72 -0.95 0.00 0.00 178.83 179.61 3kc4 n HIS 82 N -3.53 2.25 -1.68 2.96 8.25 -1.26 -2.18 115.22 120.02 3kc4 n HIS 82 Ca -0.13 -3.92 -0.44 0.00 -0.26 0.00 0.00 57.72 52.98 3kc4 n HIS 82 Cb 1.04 -0.46 -0.04 0.00 1.12 0.00 0.00 29.99 31.66 3kc4 n HIS 82 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3kc4 n PRO 83 N 0.37 2.62 -3.86 -0.41 -0.04 -1.26 -4.03 135.00 128.39 3kc4 n PRO 83 Ca 0.28 0.95 -0.12 0.00 -0.04 0.00 0.00 63.50 64.57 3kc4 n PRO 83 Cb 0.49 -2.83 -0.12 0.00 -0.04 0.00 0.00 33.50 31.00 3kc4 n PRO 83 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kc4 s VAL 84 N 2.90 0.04 0.76 0.52 -7.23 -1.24 -3.04 120.40 113.11 3kc4 s VAL 84 Ca 0.84 -0.31 -0.15 0.00 -1.81 0.00 0.00 61.98 60.55 3kc4 s VAL 84 Cb -0.54 -0.26 -0.13 0.00 0.56 0.00 0.00 36.38 36.01 3kc4 s VAL 84 CO 0.40 -0.17 -0.56 2.29 -0.31 0.00 0.00 175.10 176.75 3kc4 n LYS 85 N 2.39 0.00 -0.50 4.82 2.85 -1.26 -4.67 118.16 121.79 3kc4 n LYS 85 Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 3kc4 n LYS 85 Cb 0.58 -0.86 0.00 0.00 -0.65 0.00 0.00 35.03 34.10 3kc4 n LYS 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kc4 n GLY 86 N 2.80 5.65 3.79 2.58 0.00 -1.20 -4.40 105.19 114.42 3kc4 n GLY 86 Ca 0.00 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 43.90 3kc4 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kc4 s VAL 87 N 0.74 0.00 0.00 1.61 0.11 -0.15 -4.45 120.40 118.26 3kc4 s VAL 87 Ca 0.00 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 3kc4 s VAL 87 Cb 0.00 -2.03 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 3kc4 s VAL 87 CO 0.00 0.00 0.00 1.57 -3.33 0.00 0.00 175.10 173.34 3kc4 n HIS 88 N -0.47 0.00 -1.98 1.54 -0.00 -1.16 -4.61 115.22 108.53 3kc4 n HIS 88 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 3kc4 n HIS 88 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 3kc4 n HIS 88 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3kc4 n THR 89 N -0.90 0.00 1.88 3.57 -2.24 -1.26 -2.44 114.28 112.88 3kc4 n THR 89 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3kc4 n THR 89 Cb 0.00 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 68.94 3kc4 n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kc4 n GLY 90 N 0.00 -0.78 3.62 3.38 0.00 -1.26 -4.84 105.19 105.30 3kc4 n GLY 90 Ca 0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3kc4 n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kc4 s SER 91 N -1.81 6.76 0.01 1.61 0.01 -1.02 -4.31 113.70 114.94 3kc4 s SER 91 Ca 0.38 0.74 -0.25 0.00 1.31 0.00 0.00 55.95 58.14 3kc4 s SER 91 Cb 0.18 -2.49 -0.19 0.00 0.21 0.00 0.00 66.02 63.74 3kc4 s SER 91 CO 0.30 -0.85 1.42 -0.09 0.41 0.00 0.00 173.24 174.43 3kc4 h ARG 92 N 8.33 -0.01 -5.79 12.44 2.43 -1.86 -3.08 114.38 126.84 3kc4 h ARG 92 Ca -0.22 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.59 3kc4 h ARG 92 Cb 1.07 0.00 0.13 0.00 -0.42 0.00 0.00 29.97 30.76 3kc4 h ARG 92 CO 0.99 0.31 -0.78 1.33 -1.51 0.00 0.00 179.97 180.31 3kc4 n VAL 93 N -4.94 -5.35 -1.98 0.20 0.24 -1.26 -4.34 118.33 100.90 3kc4 n VAL 93 Ca -0.08 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.34 61.35 3kc4 n VAL 93 Cb 0.18 -4.59 -0.01 0.00 -1.47 0.00 0.00 33.84 27.95 3kc4 n VAL 93 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3kc4 s PHE 94 N -3.44 2.88 -0.04 6.34 5.36 -1.26 -3.21 117.98 124.61 3kc4 s PHE 94 Ca 0.05 1.25 0.04 0.00 -0.96 0.00 0.00 56.93 57.31 3kc4 s PHE 94 Cb -0.02 -3.83 -0.00 0.00 -0.34 0.00 0.00 43.02 38.83 3kc4 s PHE 94 CO 0.75 -2.42 -0.16 -1.64 -1.46 0.00 0.00 175.22 170.30 3kc4 s MET 95 N -1.65 1.63 0.84 10.12 -1.94 -1.25 -3.23 119.30 123.81 3kc4 s MET 95 Ca 0.52 -0.55 -0.12 0.00 -1.71 0.00 0.00 55.69 53.84 3kc4 s MET 95 Cb -0.43 -1.43 0.09 0.00 2.01 0.00 0.00 34.83 35.08 3kc4 s MET 95 CO 0.55 0.21 1.10 -0.65 -0.01 0.00 0.00 175.02 176.23 3kc4 s GLN 96 N 0.09 1.75 0.00 2.03 -1.52 -1.26 -4.15 119.66 116.60 3kc4 s GLN 96 Ca -0.04 0.59 0.00 0.00 -1.95 0.00 0.00 55.36 53.96 3kc4 s GLN 96 Cb -0.11 -1.88 0.00 0.00 -0.22 0.00 0.00 33.01 30.80 3kc4 s GLN 96 CO 0.02 -1.84 0.00 -0.35 -0.25 0.00 0.00 175.29 172.87 3kc4 n PRO 97 N -3.57 0.50 -5.02 2.91 -0.04 -1.17 -3.78 135.00 124.82 3kc4 n PRO 97 Ca 0.07 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 3kc4 n PRO 97 Cb 0.57 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.87 3kc4 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kc4 s ALA 98 N -3.13 1.85 -2.28 0.55 0.00 -0.93 -2.57 121.76 115.25 3kc4 s ALA 98 Ca 0.00 -0.98 0.20 0.00 0.00 0.00 0.00 51.96 51.18 3kc4 s ALA 98 Cb 0.00 -0.45 0.10 0.00 0.00 0.00 0.00 23.12 22.77 3kc4 s ALA 98 CO 0.00 0.45 1.09 0.43 0.00 0.00 0.00 175.76 177.73 3kc4 n SER 99 N 2.40 2.39 -3.29 0.00 7.64 -1.26 -4.68 113.62 116.83 3kc4 n SER 99 Ca -0.16 -1.70 -0.22 0.00 1.01 0.00 0.00 58.87 57.80 3kc4 n SER 99 Cb 0.52 0.18 0.07 0.00 -1.01 0.00 0.00 64.21 63.97 3kc4 n SER 99 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3kc4 n GLU 100 N 0.70 -6.91 0.00 1.43 -0.58 -1.19 -4.98 120.64 109.12 3kc4 n GLU 100 Ca 0.11 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.64 3kc4 n GLU 100 Cb 0.48 -5.66 0.00 0.00 -0.57 0.00 0.00 31.44 25.68 3kc4 n GLU 100 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kc4 n GLY 101 N -1.83 0.59 3.56 0.62 0.00 -0.98 -4.81 105.19 102.34 3kc4 n GLY 101 Ca -0.02 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 3kc4 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kc4 s THR 102 N 0.18 3.14 0.00 2.61 2.01 -1.26 -4.78 115.64 117.55 3kc4 s THR 102 Ca 0.00 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.10 3kc4 s THR 102 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.17 3kc4 s THR 102 CO 0.00 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.23 3kc4 n GLY 103 N 5.85 1.62 3.48 4.40 0.00 -1.26 -4.53 105.19 114.75 3kc4 n GLY 103 Ca 0.30 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 3kc4 n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kc4 s ILE 104 N 0.00 2.95 -0.29 -0.61 1.10 -1.24 -3.95 121.20 119.15 3kc4 s ILE 104 Ca 0.00 -1.03 0.11 0.00 -0.51 0.00 0.00 60.65 59.21 3kc4 s ILE 104 Cb 0.00 -2.23 -0.14 0.00 0.15 0.00 0.00 42.46 40.24 3kc4 s ILE 104 CO 0.00 0.40 0.36 2.30 -2.11 0.00 0.00 174.94 175.89 3kc4 n ILE 105 N 1.72 0.00 -3.82 2.00 -6.64 -1.26 -4.94 119.36 106.42 3kc4 n ILE 105 Ca -0.16 -0.25 -0.36 0.00 -1.77 0.00 0.00 62.75 60.21 3kc4 n ILE 105 Cb 0.52 0.67 -0.12 0.00 -1.44 0.00 0.00 39.64 39.26 3kc4 n ILE 105 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3kc4 s ALA 106 N -2.35 3.01 -1.94 -1.28 0.00 -1.26 -4.91 121.76 113.03 3kc4 s ALA 106 Ca 0.00 -2.09 0.31 0.00 0.00 0.00 0.00 51.96 50.19 3kc4 s ALA 106 Cb 0.08 -2.21 1.70 0.00 0.00 0.00 0.00 23.12 22.69 3kc4 s ALA 106 CO 0.45 -1.51 2.12 0.41 0.00 0.00 0.00 175.76 177.23 3kc4 n GLY 107 N 4.65 -0.93 0.00 0.00 0.00 -1.26 -3.98 105.19 103.67 3kc4 n GLY 107 Ca -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3kc4 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc4 n GLY 108 N 1.08 -0.03 0.33 -0.02 0.00 -1.26 -4.64 105.19 100.65 3kc4 n GLY 108 Ca 0.21 -1.48 0.24 0.00 0.00 0.00 0.00 46.02 44.99 3kc4 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kc4 h ALA 109 N -2.00 1.92 0.00 4.61 0.00 -1.96 -0.64 119.26 121.19 3kc4 h ALA 109 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kc4 h ALA 109 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kc4 h ALA 109 CO 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 178.63 3kc4 n MET 110 N -5.11 0.45 -0.09 0.00 3.85 -1.26 -4.26 117.12 110.71 3kc4 n MET 110 Ca 0.32 0.00 -0.22 0.00 -1.00 0.00 0.00 57.70 56.80 3kc4 n MET 110 Cb 1.00 -1.24 -0.12 0.00 -1.05 0.00 0.00 33.22 31.81 3kc4 n MET 110 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3kc4 h ARG 111 N 0.73 0.04 0.05 3.17 2.43 -1.24 -3.39 114.38 116.17 3kc4 h ARG 111 Ca 0.00 -0.07 -0.33 0.00 -0.81 0.00 0.00 59.98 58.78 3kc4 h ARG 111 Cb 0.30 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3kc4 h ARG 111 CO 0.00 1.03 -1.81 0.00 -1.51 0.00 0.00 179.97 177.68 3kc4 n ALA 112 N -3.36 0.93 0.23 2.80 0.00 -1.26 -3.86 120.51 115.98 3kc4 n ALA 112 Ca -0.32 -0.65 0.08 0.00 0.00 0.00 0.00 53.44 52.55 3kc4 n ALA 112 Cb 0.73 -0.49 0.54 0.00 0.00 0.00 0.00 19.45 20.23 3kc4 n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3kc4 h VAL 113 N -0.48 0.82 -1.05 0.00 -1.51 -1.85 -3.26 116.25 108.92 3kc4 h VAL 113 Ca -0.44 -0.90 -0.51 0.00 -1.23 0.00 0.00 66.70 63.62 3kc4 h VAL 113 Cb 1.69 1.54 -0.19 0.00 -2.13 0.00 0.00 31.29 32.20 3kc4 h VAL 113 CO -0.10 0.22 0.51 -0.11 -1.23 0.00 0.00 177.57 176.86 3kc4 n LEU 114 N -3.77 6.67 0.10 4.19 7.94 -1.25 -4.10 117.00 126.78 3kc4 n LEU 114 Ca -0.01 -4.02 0.00 0.00 -1.11 0.00 0.00 56.01 50.87 3kc4 n LEU 114 Cb 0.33 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.12 3kc4 n LEU 114 CO 0.34 1.62 0.00 1.21 -1.11 0.00 0.00 177.39 179.44 3kc4 n GLU 115 N 0.49 0.00 -0.30 1.96 2.13 -1.23 -4.73 120.64 118.97 3kc4 n GLU 115 Ca 0.47 0.00 0.26 0.00 0.66 0.00 0.00 57.16 58.55 3kc4 n GLU 115 Cb 0.53 0.00 0.59 0.00 0.27 0.00 0.00 31.44 32.83 3kc4 n GLU 115 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 3kc4 h VAL 116 N 0.00 0.52 0.00 6.31 -1.51 -1.71 -2.12 116.25 117.74 3kc4 h VAL 116 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 3kc4 h VAL 116 Cb 0.00 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.40 3kc4 h VAL 116 CO 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 176.39 3kc4 n ALA 117 N -2.58 2.12 -0.95 5.19 0.00 -1.26 -1.08 120.51 121.94 3kc4 n ALA 117 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3kc4 n ALA 117 Cb 0.96 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3kc4 n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc4 n GLY 118 N 0.39 0.82 3.62 0.00 0.00 -0.82 -3.75 105.19 105.46 3kc4 n GLY 118 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kc4 n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kc4 s VAL 119 N -3.23 4.35 0.00 1.61 -7.23 -1.05 -2.60 120.40 112.25 3kc4 s VAL 119 Ca 0.00 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 3kc4 s VAL 119 Cb 0.00 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 34.05 3kc4 s VAL 119 CO 0.00 0.54 0.00 1.41 -0.31 0.00 0.00 175.10 176.74 3kc4 n HIS 120 N 2.88 0.00 -1.01 2.82 -0.00 -1.26 -3.96 115.22 114.69 3kc4 n HIS 120 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 3kc4 n HIS 120 Cb 0.53 0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.56 3kc4 n HIS 120 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3kc4 n ASN 121 N 0.00 0.00 -4.56 0.41 4.13 -1.26 -4.01 115.26 109.98 3kc4 n ASN 121 Ca 0.00 -1.00 -0.38 0.00 1.68 0.00 0.00 54.58 54.88 3kc4 n ASN 121 Cb 0.20 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.49 3kc4 n ASN 121 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 3kc4 n VAL 122 N 0.00 3.12 -1.34 2.41 0.24 -1.25 -2.32 118.33 119.18 3kc4 n VAL 122 Ca 0.00 -0.49 0.08 0.00 -2.04 0.00 0.00 64.34 61.89 3kc4 n VAL 122 Cb 0.38 -0.96 0.12 0.00 -1.47 0.00 0.00 33.84 31.92 3kc4 n VAL 122 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3kc4 n LEU 123 N -0.39 2.00 0.00 1.34 4.77 -1.22 -3.73 117.00 119.76 3kc4 n LEU 123 Ca 0.13 -2.85 -0.17 0.00 -0.03 0.00 0.00 56.01 53.08 3kc4 n LEU 123 Cb 0.48 -0.36 0.17 0.00 -2.33 0.00 0.00 43.42 41.37 3kc4 n LEU 123 CO 0.50 0.74 0.19 0.00 -1.33 0.00 0.00 177.39 177.49 3kc4 n ALA 124 N -1.10 -2.97 -3.80 -1.18 0.00 -1.06 -4.52 120.51 105.87 3kc4 n ALA 124 Ca 0.14 -0.86 -0.08 0.00 0.00 0.00 0.00 53.44 52.63 3kc4 n ALA 124 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 3kc4 n ALA 124 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3kc4 n LYS 125 N -3.68 0.72 -4.48 0.00 2.85 -1.26 -4.57 118.16 107.74 3kc4 n LYS 125 Ca 0.08 -2.19 -0.23 0.00 -1.05 0.00 0.00 58.31 54.92 3kc4 n LYS 125 Cb 0.34 2.30 -0.10 0.00 -0.65 0.00 0.00 35.03 36.91 3kc4 n LYS 125 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kc4 s ALA 126 N -2.35 2.54 0.00 0.58 0.00 -1.20 -3.92 121.76 117.41 3kc4 s ALA 126 Ca 0.21 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.32 3kc4 s ALA 126 Cb -0.02 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.75 3kc4 s ALA 126 CO 0.15 -0.30 0.00 0.98 0.00 0.00 0.00 175.76 176.59 3kc4 n TYR 127 N -0.75 0.00 -0.36 0.00 4.19 -1.21 -4.77 117.16 114.26 3kc4 n TYR 127 Ca -0.04 0.00 0.05 0.00 3.31 0.00 0.00 57.90 61.22 3kc4 n TYR 127 Cb 0.66 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.47 3kc4 n TYR 127 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3kc4 n GLY 128 N 0.00 -2.36 3.75 2.98 0.00 -1.26 -4.72 105.19 103.58 3kc4 n GLY 128 Ca 0.00 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 3kc4 n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kc4 s SER 129 N -5.30 7.10 -0.49 1.61 1.04 -1.26 -4.69 113.70 111.72 3kc4 s SER 129 Ca 0.00 1.32 -0.26 0.00 0.48 0.00 0.00 55.95 57.49 3kc4 s SER 129 Cb 0.00 -2.42 -0.07 0.00 0.10 0.00 0.00 66.02 63.63 3kc4 s SER 129 CO 0.00 0.06 2.42 0.41 0.98 0.00 0.00 173.24 177.11 3kc4 n THR 130 N 2.73 -0.08 0.00 2.02 -1.04 -1.26 -4.48 114.28 112.17 3kc4 n THR 130 Ca -0.05 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.17 3kc4 n THR 130 Cb 0.51 -2.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.22 3kc4 n THR 130 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3kc4 n ASN 131 N 15.88 0.00 0.05 8.00 5.15 -1.26 -5.08 115.26 138.01 3kc4 n ASN 131 Ca 0.37 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.42 3kc4 n ASN 131 Cb 0.54 0.00 0.51 0.00 -0.53 0.00 0.00 39.78 40.30 3kc4 n ASN 131 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3kc4 h PRO 132 N 0.00 0.35 -0.19 1.20 0.11 -1.98 0.21 132.00 131.70 3kc4 h PRO 132 Ca 0.00 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.14 3kc4 h PRO 132 Cb 0.00 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 3kc4 h PRO 132 CO 0.00 0.23 0.34 -0.84 -0.21 0.00 0.00 178.00 177.52 3kc4 h ILE 133 N 0.36 0.23 0.00 4.15 3.07 -1.98 -1.00 117.51 122.34 3kc4 h ILE 133 Ca 0.14 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.55 3kc4 h ILE 133 Cb 0.12 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 37.37 3kc4 h ILE 133 CO -0.03 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.66 3kc4 n ASN 134 N -3.38 0.75 -0.18 2.16 3.02 -0.08 -4.37 115.26 113.18 3kc4 n ASN 134 Ca 0.02 -0.98 -0.03 0.00 -0.03 0.00 0.00 54.58 53.56 3kc4 n ASN 134 Cb 0.45 0.02 0.17 0.00 -0.61 0.00 0.00 39.78 39.81 3kc4 n ASN 134 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3kc4 h VAL 135 N 0.22 1.23 0.00 2.41 2.07 -0.08 -3.05 116.25 119.06 3kc4 h VAL 135 Ca 0.00 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3kc4 h VAL 135 Cb 0.11 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3kc4 h VAL 135 CO 0.00 0.29 0.00 -0.37 0.02 0.00 0.00 177.57 177.51 3kc4 h VAL 136 N 0.92 0.00 0.00 2.57 -1.51 -1.43 -2.46 116.25 114.34 3kc4 h VAL 136 Ca 0.21 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.62 3kc4 h VAL 136 Cb 0.22 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.11 3kc4 h VAL 136 CO -0.01 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.87 3kc4 n ARG 137 N -2.52 0.57 -0.16 5.19 5.12 -1.15 -1.18 116.66 122.53 3kc4 n ARG 137 Ca -0.01 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.01 3kc4 n ARG 137 Cb 0.08 -1.26 0.28 0.00 -1.16 0.00 0.00 32.46 30.40 3kc4 n ARG 137 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kc4 n ALA 138 N 0.37 2.46 0.00 7.54 0.00 -0.93 -0.98 120.51 128.97 3kc4 n ALA 138 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3kc4 n ALA 138 Cb 0.19 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3kc4 n ALA 138 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kc4 n THR 139 N 0.92 0.00 0.84 0.00 -1.04 -0.32 -3.31 114.28 111.38 3kc4 n THR 139 Ca 0.18 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.30 3kc4 n THR 139 Cb 0.46 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.09 3kc4 n THR 139 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3kc4 n ILE 140 N -0.47 0.10 -1.57 12.58 5.41 -0.41 -4.03 119.36 130.96 3kc4 n ILE 140 Ca 0.00 -0.55 0.00 0.00 1.00 0.00 0.00 62.75 63.20 3kc4 n ILE 140 Cb 0.00 1.39 0.00 0.00 -0.71 0.00 0.00 39.64 40.32 3kc4 n ILE 140 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kc4 n ASP 141 N 1.34 0.00 -0.00 4.38 8.00 -1.13 -4.89 116.55 124.25 3kc4 n ASP 141 Ca 0.15 -1.03 0.04 0.00 0.71 0.00 0.00 54.79 54.65 3kc4 n ASP 141 Cb 0.59 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 3kc4 n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kc4 n GLY 142 N 0.00 0.11 0.57 0.44 0.00 -1.21 -4.08 105.19 101.02 3kc4 n GLY 142 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3kc4 n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kc4 n LEU 143 N -1.35 1.74 -0.59 0.99 4.77 -1.26 -2.79 117.00 118.50 3kc4 n LEU 143 Ca 0.01 -0.67 0.06 0.00 -0.03 0.00 0.00 56.01 55.38 3kc4 n LEU 143 Cb 0.14 -0.07 0.17 0.00 -2.33 0.00 0.00 43.42 41.33 3kc4 n LEU 143 CO 0.15 0.33 0.63 -0.62 -1.33 0.00 0.00 177.39 176.56 3kc4 n GLU 144 N 0.36 2.78 -3.83 3.23 4.71 -1.26 -4.12 120.64 122.51 3kc4 n GLU 144 Ca 0.17 -2.29 -0.25 0.00 -0.01 0.00 0.00 57.16 54.78 3kc4 n GLU 144 Cb 0.36 -1.44 -0.17 0.00 -1.01 0.00 0.00 31.44 29.18 3kc4 n GLU 144 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 3kc4 s ASN 145 N -1.47 2.12 0.16 1.62 0.01 -1.12 -5.02 114.94 111.25 3kc4 s ASN 145 Ca 0.27 -0.33 -0.24 0.00 -0.71 0.00 0.00 52.86 51.85 3kc4 s ASN 145 Cb 0.19 -0.66 0.06 0.00 0.41 0.00 0.00 41.25 41.26 3kc4 s ASN 145 CO 0.10 -0.18 0.97 0.00 -1.51 0.00 0.00 177.10 176.48 3kc4 s MET 146 N 1.82 1.24 -0.18 -0.60 0.23 -1.26 -3.68 119.30 116.87 3kc4 s MET 146 Ca 0.04 -0.71 0.15 0.00 -1.03 0.00 0.00 55.69 54.13 3kc4 s MET 146 Cb -0.13 0.41 0.38 0.00 -1.53 0.00 0.00 34.83 33.96 3kc4 s MET 146 CO -0.07 -0.57 1.23 0.09 -2.03 0.00 0.00 175.02 173.67 3kc4 n ASN 147 N -0.60 2.19 -4.59 -1.18 4.13 -1.26 -5.03 115.26 108.92 3kc4 n ASN 147 Ca -0.06 -3.50 -0.41 0.00 1.68 0.00 0.00 54.58 52.30 3kc4 n ASN 147 Cb 0.60 -0.50 -0.07 0.00 -1.54 0.00 0.00 39.78 38.28 3kc4 n ASN 147 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3kc4 s SER 148 N -2.94 6.47 0.94 6.41 0.15 -1.26 -4.98 113.70 118.49 3kc4 s SER 148 Ca 0.36 0.35 -0.11 0.00 0.70 0.00 0.00 55.95 57.25 3kc4 s SER 148 Cb 0.33 -2.32 0.16 0.00 -1.71 0.00 0.00 66.02 62.48 3kc4 s SER 148 CO -0.01 -0.49 1.10 -2.16 1.20 0.00 0.00 173.24 172.88 3kc4 s PRO 149 N 2.59 0.84 -0.02 5.44 0.04 -1.26 -3.92 135.00 138.71 3kc4 s PRO 149 Ca 0.24 1.14 0.18 0.00 0.04 0.00 0.00 61.00 62.60 3kc4 s PRO 149 Cb -0.15 -1.74 -0.26 0.00 0.04 0.00 0.00 34.50 32.40 3kc4 s PRO 149 CO 0.12 -2.62 0.44 -0.85 0.04 0.00 0.00 177.00 174.13 3kc4 n GLU 150 N -4.18 0.66 0.00 4.56 0.28 -1.26 -4.13 120.64 116.56 3kc4 n GLU 150 Ca 0.08 -0.14 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 3kc4 n GLU 150 Cb 0.54 -1.40 0.00 0.00 1.43 0.00 0.00 31.44 32.01 3kc4 n GLU 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kc4 n MET 151 N -2.00 0.00 -0.08 3.44 0.00 -1.26 -4.97 117.12 112.26 3kc4 n MET 151 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 57.70 57.74 3kc4 n MET 151 Cb 0.43 0.00 0.41 0.00 0.00 0.00 0.00 33.22 34.06 3kc4 n MET 151 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 3kc4 h VAL 152 N 3.44 1.05 0.00 3.17 3.04 -1.99 -2.78 116.25 122.18 3kc4 h VAL 152 Ca 0.00 -0.21 -0.05 0.00 -1.01 0.00 0.00 66.70 65.43 3kc4 h VAL 152 Cb 0.00 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 29.66 3kc4 h VAL 152 CO 0.00 0.11 -0.26 0.00 -1.01 0.00 0.00 177.57 176.41 3kc4 h ALA 153 N 1.68 1.22 -0.19 3.17 0.00 -1.96 -1.27 119.26 121.91 3kc4 h ALA 153 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kc4 h ALA 153 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kc4 h ALA 153 CO -0.06 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3kc4 n ALA 154 N -2.33 2.79 0.00 0.00 0.00 -1.05 -0.65 120.51 119.28 3kc4 n ALA 154 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3kc4 n ALA 154 Cb 0.37 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3kc4 n ALA 154 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kc4 n LYS 155 N 0.19 2.75 -0.00 0.00 4.76 -0.57 -3.79 118.16 121.49 3kc4 n LYS 155 Ca 0.08 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.56 3kc4 n LYS 155 Cb 0.44 -0.76 -0.05 0.00 -1.84 0.00 0.00 35.03 32.82 3kc4 n LYS 155 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kc4 n ARG 156 N -0.86 0.44 -0.01 1.97 1.74 -0.64 -4.63 116.66 114.67 3kc4 n ARG 156 Ca 0.00 -0.06 0.01 0.00 -0.77 0.00 0.00 57.85 57.03 3kc4 n ARG 156 Cb 0.04 -1.14 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 3kc4 n ARG 156 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kc4 n GLY 157 N 2.08 -0.14 0.00 -0.13 0.00 0.17 -5.05 105.19 102.12 3kc4 n GLY 157 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3kc4 n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60