#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw4 s ASP 2 N 0.00 -0.00 0.11 7.83 1.01 -1.26 -5.07 116.67 119.29 2kw4 s ASP 2 Ca 0.00 -0.07 -0.11 0.00 0.71 0.00 0.00 52.55 53.08 2kw4 s ASP 2 Cb 0.00 0.06 0.01 0.00 1.01 0.00 0.00 42.92 44.00 2kw4 s ASP 2 CO 0.00 -0.11 0.26 1.51 0.21 0.00 0.00 175.17 177.04 2kw4 s ASP 3 N -3.68 0.01 -1.03 0.27 -4.77 -1.26 -0.27 116.67 105.94 2kw4 s ASP 3 Ca 0.27 -0.58 -0.10 0.00 -3.30 0.00 0.00 52.55 48.85 2kw4 s ASP 3 Cb 0.02 0.39 0.26 0.00 -1.09 0.00 0.00 42.92 42.50 2kw4 s ASP 3 CO -0.03 -0.78 1.01 -0.60 0.70 0.00 0.00 175.17 175.47 2kw4 s ARG 4 N -3.85 4.00 -0.03 2.11 3.52 -1.26 -4.71 118.95 118.73 2kw4 s ARG 4 Ca 0.05 -3.05 0.04 0.00 -0.13 0.00 0.00 55.73 52.65 2kw4 s ARG 4 Cb 0.04 -4.49 -0.01 0.00 -1.56 0.00 0.00 34.95 28.94 2kw4 s ARG 4 CO -0.10 -1.25 -0.15 0.95 -0.81 0.00 0.00 175.30 173.94 2kw4 s THR 5 N -0.93 1.21 0.00 4.11 -4.23 -1.26 -4.92 115.64 109.62 2kw4 s THR 5 Ca 0.27 -0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 2kw4 s THR 5 Cb -0.10 -1.03 -0.02 0.00 1.34 0.00 0.00 72.50 72.69 2kw4 s THR 5 CO -0.08 0.35 0.85 -0.08 -0.54 0.00 0.00 174.62 175.12 2kw4 h GLU 6 N 6.06 -0.13 0.00 3.99 4.22 -1.88 -3.49 114.58 123.34 2kw4 h GLU 6 Ca -0.34 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.11 2kw4 h GLU 6 Cb 1.17 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kw4 h GLU 6 CO 0.48 -0.09 0.00 0.66 -2.18 0.00 0.00 179.01 177.88 2kw4 n TYR 7 N -2.45 -0.15 -1.57 0.92 4.01 -1.26 -5.03 117.16 111.63 2kw4 n TYR 7 Ca -0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.41 2kw4 n TYR 7 Cb 0.05 0.03 0.06 0.00 -0.31 0.00 0.00 39.34 39.17 2kw4 n TYR 7 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2kw4 s ASP 8 N 1.79 5.05 0.01 7.72 -1.08 -1.22 -2.65 116.67 126.30 2kw4 s ASP 8 Ca 0.00 1.81 0.01 0.00 -0.52 0.00 0.00 52.55 53.84 2kw4 s ASP 8 Cb 0.00 -2.52 -0.04 0.00 -1.46 0.00 0.00 42.92 38.90 2kw4 s ASP 8 CO 0.00 -1.67 0.06 -0.69 0.52 0.00 0.00 175.17 173.40 2kw4 s VAL 9 N -2.75 4.56 -1.14 1.11 1.01 -1.26 -4.57 120.40 117.37 2kw4 s VAL 9 Ca 0.62 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 2kw4 s VAL 9 Cb -0.17 -3.10 -0.11 0.00 0.00 0.00 0.00 36.38 33.00 2kw4 s VAL 9 CO 0.50 0.31 1.94 0.00 0.00 0.00 0.00 175.10 177.85 2kw4 n TYR 10 N 1.07 2.50 -4.15 5.22 9.36 -1.26 -4.86 117.16 125.04 2kw4 n TYR 10 Ca -0.12 -1.39 -0.11 0.00 3.32 0.00 0.00 57.90 59.59 2kw4 n TYR 10 Cb 0.52 -2.53 -0.10 0.00 -0.63 0.00 0.00 39.34 36.60 2kw4 n TYR 10 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2kw4 s THR 11 N 10.99 0.68 -0.25 2.97 -4.23 -1.26 -3.73 115.64 120.82 2kw4 s THR 11 Ca 0.68 -1.73 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 2kw4 s THR 11 Cb 0.00 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.41 2kw4 s THR 11 CO 0.14 -0.75 0.09 0.47 -0.54 0.00 0.00 174.62 174.03 2kw4 n ASP 12 N 0.32 -6.49 0.00 3.99 8.00 -0.99 -4.81 116.55 116.57 2kw4 n ASP 12 Ca -0.15 0.94 0.00 0.00 0.71 0.00 0.00 54.79 56.30 2kw4 n ASP 12 Cb 0.59 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 2kw4 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kw4 n GLY 13 N 0.35 -0.94 3.65 0.44 0.00 -1.26 -4.23 105.19 103.20 2kw4 n GLY 13 Ca 0.02 0.46 -0.00 0.00 0.00 0.00 0.00 46.02 46.50 2kw4 n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kw4 s SER 14 N 0.00 -0.04 -0.14 1.61 0.15 -1.26 -4.99 113.70 109.03 2kw4 s SER 14 Ca 0.00 0.07 -0.31 0.00 0.70 0.00 0.00 55.95 56.41 2kw4 s SER 14 Cb 0.00 0.53 0.13 0.00 -1.71 0.00 0.00 66.02 64.96 2kw4 s SER 14 CO 0.00 -0.01 1.04 -0.72 1.20 0.00 0.00 173.24 174.75 2kw4 s TYR 15 N 0.50 -0.28 -0.06 3.44 -0.85 -1.26 -4.13 117.35 114.71 2kw4 s TYR 15 Ca 0.00 0.35 -0.02 0.00 -0.52 0.00 0.00 57.07 56.87 2kw4 s TYR 15 Cb -0.04 0.49 0.04 0.00 0.38 0.00 0.00 41.96 42.83 2kw4 s TYR 15 CO -0.13 -0.34 0.10 0.54 -1.52 0.00 0.00 175.55 174.20 2kw4 s VAL 16 N -1.93 -0.15 0.00 -3.49 0.11 -1.26 -5.00 120.40 108.68 2kw4 s VAL 16 Ca 0.03 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 2kw4 s VAL 16 Cb -0.01 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 2kw4 s VAL 16 CO -0.04 0.14 0.00 -3.20 -3.33 0.00 0.00 175.10 168.68 2kw4 n ASN 17 N 5.04 0.00 -0.48 3.54 5.15 -1.26 -1.37 115.26 125.87 2kw4 n ASN 17 Ca -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 2kw4 n ASN 17 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 2kw4 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kw4 n GLY 18 N 0.00 0.83 2.35 8.20 0.00 -1.26 -5.13 105.19 110.18 2kw4 n GLY 18 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2kw4 n GLY 18 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kw4 n GLN 19 N 0.00 0.69 -4.05 1.61 6.02 -0.47 -4.85 117.38 116.33 2kw4 n GLN 19 Ca 0.00 -1.85 -0.16 0.00 -0.01 0.00 0.00 57.00 54.97 2kw4 n GLN 19 Cb 0.55 -0.18 -0.15 0.00 1.02 0.00 0.00 30.24 31.48 2kw4 n GLN 19 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 2kw4 s TYR 20 N -1.24 0.41 0.09 1.08 1.13 -1.26 -4.16 117.35 113.39 2kw4 s TYR 20 Ca 0.37 -0.07 -0.05 0.00 -1.41 0.00 0.00 57.07 55.92 2kw4 s TYR 20 Cb -0.03 -0.36 -0.02 0.00 -1.10 0.00 0.00 41.96 40.45 2kw4 s TYR 20 CO 0.24 -0.08 0.09 0.00 -2.51 0.00 0.00 175.55 173.29 2kw4 s ALA 21 N 0.44 0.25 -0.04 9.51 0.00 -1.26 -1.12 121.76 129.54 2kw4 s ALA 21 Ca -0.05 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2kw4 s ALA 21 Cb -0.08 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.55 2kw4 s ALA 21 CO -0.01 -0.47 -0.05 1.67 0.00 0.00 0.00 175.76 176.91 2kw4 s TRP 22 N -3.92 0.77 0.14 0.00 -2.14 -1.02 -4.06 118.94 108.70 2kw4 s TRP 22 Ca 0.10 -0.21 0.04 0.00 2.66 0.00 0.00 56.10 58.68 2kw4 s TRP 22 Cb 0.06 -0.65 -0.04 0.00 -3.10 0.00 0.00 33.47 29.74 2kw4 s TRP 22 CO -0.08 -0.17 -0.08 0.00 -2.66 0.00 0.00 176.95 173.96 2kw4 s ALA 23 N 0.78 1.34 -0.05 2.67 0.00 -1.26 -3.38 121.76 121.86 2kw4 s ALA 23 Ca -0.11 -1.48 -0.30 0.00 0.00 0.00 0.00 51.96 50.07 2kw4 s ALA 23 Cb -0.14 0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.20 2kw4 s ALA 23 CO 0.00 -0.16 0.72 1.52 0.00 0.00 0.00 175.76 177.85 2kw4 s TYR 24 N -3.43 -0.61 -0.23 0.00 -0.85 -1.24 -4.28 117.35 106.70 2kw4 s TYR 24 Ca 0.17 1.00 -0.19 0.00 -0.52 0.00 0.00 57.07 57.53 2kw4 s TYR 24 Cb 0.04 0.43 -0.03 0.00 0.38 0.00 0.00 41.96 42.77 2kw4 s TYR 24 CO -0.00 -0.59 0.54 0.00 -1.52 0.00 0.00 175.55 173.98 2kw4 s ALA 25 N -1.35 3.57 -0.30 9.51 0.00 -1.26 -4.89 121.76 127.04 2kw4 s ALA 25 Ca -0.09 -0.48 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 2kw4 s ALA 25 Cb -0.00 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.26 2kw4 s ALA 25 CO 0.07 -0.61 0.06 -0.06 0.00 0.00 0.00 175.76 175.22 2kw4 s PHE 26 N 2.02 3.16 -0.05 0.00 0.40 -1.26 -4.89 117.98 117.36 2kw4 s PHE 26 Ca 0.23 -1.19 0.03 0.00 -0.60 0.00 0.00 56.93 55.40 2kw4 s PHE 26 Cb -0.16 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.15 2kw4 s PHE 26 CO 0.09 -0.64 -0.15 0.08 0.70 0.00 0.00 175.22 175.30 2kw4 s VAL 27 N 1.44 1.33 -0.01 -0.44 1.01 -1.26 -0.87 120.40 121.60 2kw4 s VAL 27 Ca 0.01 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2kw4 s VAL 27 Cb -0.18 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 2kw4 s VAL 27 CO 0.01 0.39 -0.10 -0.54 0.00 0.00 0.00 175.10 174.87 2kw4 s LYS 28 N 0.29 0.87 -0.37 2.72 -0.14 0.93 -4.73 119.74 119.31 2kw4 s LYS 28 Ca -0.09 -0.35 0.00 0.00 -1.36 0.00 0.00 55.97 54.18 2kw4 s LYS 28 Cb -0.13 -0.83 0.00 0.00 -1.68 0.00 0.00 37.83 35.19 2kw4 s LYS 28 CO 0.03 0.19 0.00 -3.47 -0.76 0.00 0.00 175.35 171.34 2kw4 n ASP 29 N 2.97 -4.87 0.00 2.83 2.03 0.62 -1.91 116.55 118.23 2kw4 n ASP 29 Ca -0.15 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2kw4 n ASP 29 Cb 0.56 -2.68 0.00 0.00 -0.72 0.00 0.00 41.12 38.28 2kw4 n ASP 29 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kw4 n GLY 30 N -0.64 0.78 3.25 0.27 0.00 -1.24 -4.85 105.19 102.76 2kw4 n GLY 30 Ca -0.03 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 2kw4 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kw4 s LYS 31 N -1.48 0.87 -0.17 1.61 -2.85 -0.80 -4.65 119.74 112.27 2kw4 s LYS 31 Ca 0.00 -0.70 -0.33 0.00 -1.00 0.00 0.00 55.97 53.93 2kw4 s LYS 31 Cb 0.00 0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 36.04 2kw4 s LYS 31 CO 0.00 -0.29 2.01 0.28 0.10 0.00 0.00 175.35 177.45 2kw4 n VAL 32 N 0.20 0.46 -0.06 1.79 0.31 -1.26 -0.05 118.33 119.73 2kw4 n VAL 32 Ca -0.17 -0.20 -0.21 0.00 -0.01 0.00 0.00 64.34 63.75 2kw4 n VAL 32 Cb 0.61 -1.96 -0.13 0.00 -0.91 0.00 0.00 33.84 31.46 2kw4 n VAL 32 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2kw4 n HIS 33 N 8.27 0.77 -4.36 3.52 -0.00 -0.05 -4.79 115.22 118.57 2kw4 n HIS 33 Ca 0.28 0.19 -0.18 0.00 0.46 0.00 0.00 57.72 58.47 2kw4 n HIS 33 Cb 0.31 -1.10 -0.10 0.00 -0.12 0.00 0.00 29.99 28.98 2kw4 n HIS 33 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 2kw4 s TYR 34 N -2.52 1.68 -0.35 1.57 2.02 -1.06 -5.01 117.35 113.69 2kw4 s TYR 34 Ca -0.28 -1.04 -0.04 0.00 -0.37 0.00 0.00 57.07 55.34 2kw4 s TYR 34 Cb 0.08 -1.03 0.19 0.00 -0.40 0.00 0.00 41.96 40.80 2kw4 s TYR 34 CO 0.67 -0.15 0.91 -1.83 -1.57 0.00 0.00 175.55 173.59 2kw4 s GLU 35 N -3.94 0.38 -0.30 -0.62 -1.05 -1.26 -4.43 118.70 107.48 2kw4 s GLU 35 Ca 0.35 -0.10 -0.18 0.00 -0.15 0.00 0.00 54.97 54.89 2kw4 s GLU 35 Cb 0.08 0.05 0.17 0.00 -0.44 0.00 0.00 34.13 33.99 2kw4 s GLU 35 CO 0.13 -0.55 1.23 0.34 0.95 0.00 0.00 175.26 177.36 2kw4 s ASP 36 N 1.99 -0.06 1.02 0.83 2.15 -1.26 -5.18 116.67 116.16 2kw4 s ASP 36 Ca 0.15 0.03 -0.15 0.00 0.43 0.00 0.00 52.55 53.02 2kw4 s ASP 36 Cb 0.00 1.05 0.20 0.00 -0.30 0.00 0.00 42.92 43.87 2kw4 s ASP 36 CO -0.13 -0.01 1.13 0.00 -0.17 0.00 0.00 175.17 175.99 2kw4 n ALA 37 N 5.44 -1.48 -3.65 3.66 0.00 -1.26 -4.97 120.51 118.24 2kw4 n ALA 37 Ca -0.07 -1.48 -0.10 0.00 0.00 0.00 0.00 53.44 51.79 2kw4 n ALA 37 Cb 0.55 -0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 2kw4 n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kw4 s ASP 38 N -5.08 -0.66 0.16 0.00 1.11 -1.22 -5.08 116.67 105.90 2kw4 s ASP 38 Ca 0.65 1.11 0.04 0.00 0.18 0.00 0.00 52.55 54.52 2kw4 s ASP 38 Cb -0.02 0.99 -0.04 0.00 1.07 0.00 0.00 42.92 44.93 2kw4 s ASP 38 CO 0.46 -0.21 0.23 -0.69 1.18 0.00 0.00 175.17 176.14 2kw4 s VAL 39 N 1.38 5.02 0.42 -1.27 1.01 -1.26 -2.43 120.40 123.26 2kw4 s VAL 39 Ca -0.09 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.11 2kw4 s VAL 39 Cb -0.07 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 2kw4 s VAL 39 CO -0.14 -0.11 0.07 -0.83 0.00 0.00 0.00 175.10 174.08 2kw4 s GLY 40 N -3.23 2.47 0.00 4.51 0.00 -0.28 -4.99 107.32 105.80 2kw4 s GLY 40 Ca 0.33 -2.18 0.02 0.00 0.00 0.00 0.00 44.72 42.89 2kw4 s GLY 40 CO 0.27 -2.04 0.95 0.58 0.00 0.00 0.00 173.10 172.85 2kw4 n LYS 41 N -1.07 0.00 -1.93 2.90 0.00 -1.26 -4.28 118.16 112.52 2kw4 n LYS 41 Ca -0.04 -0.95 -0.32 0.00 -0.00 0.00 0.00 58.31 57.00 2kw4 n LYS 41 Cb 0.66 0.37 0.02 0.00 -0.00 0.00 0.00 35.03 36.09 2kw4 n LYS 41 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2kw4 s ASN 42 N -0.95 5.68 0.00 -5.58 0.01 -1.26 -4.86 114.94 107.98 2kw4 s ASN 42 Ca 0.03 1.77 -0.24 0.00 -0.71 0.00 0.00 52.86 53.71 2kw4 s ASN 42 Cb 0.03 -2.52 -0.18 0.00 0.41 0.00 0.00 41.25 38.99 2kw4 s ASN 42 CO -0.01 -1.24 1.30 1.55 -1.51 0.00 0.00 177.10 177.19 2kw4 h PRO 43 N 0.15 0.14 0.00 -0.60 0.13 -2.00 0.25 132.00 130.06 2kw4 h PRO 43 Ca -0.46 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2kw4 h PRO 43 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kw4 h PRO 43 CO 0.57 0.58 -0.04 0.00 -0.23 0.00 0.00 178.00 178.88 2kw4 h ALA 44 N 0.55 1.30 0.00 -0.56 0.00 -1.99 -0.56 119.26 118.00 2kw4 h ALA 44 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2kw4 h ALA 44 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kw4 h ALA 44 CO 0.01 0.05 -0.62 0.00 0.00 0.00 0.00 179.25 178.69 2kw4 n ALA 45 N -2.24 0.52 -0.22 0.00 0.00 -1.16 -4.03 120.51 113.37 2kw4 n ALA 45 Ca -0.02 -0.47 0.20 0.00 0.00 0.00 0.00 53.44 53.15 2kw4 n ALA 45 Cb 0.14 -0.02 0.55 0.00 0.00 0.00 0.00 19.45 20.12 2kw4 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kw4 h ALA 46 N -0.97 2.30 -0.19 0.00 0.00 -0.49 0.25 119.26 120.16 2kw4 h ALA 46 Ca -0.03 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kw4 h ALA 46 Cb 0.61 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2kw4 h ALA 46 CO -0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 179.25 178.64 2kw4 h THR 47 N 0.33 1.13 -0.44 0.00 1.03 -1.28 -1.27 112.91 112.41 2kw4 h THR 47 Ca 0.45 -0.52 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 2kw4 h THR 47 Cb 1.23 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 69.32 2kw4 h THR 47 CO -0.15 0.17 0.00 0.23 -0.01 0.00 0.00 175.52 175.77 2kw4 n MET 48 N -4.36 3.92 0.00 0.00 2.81 0.86 -5.05 117.12 115.30 2kw4 n MET 48 Ca -0.00 -2.39 0.00 0.00 -1.81 0.00 0.00 57.70 53.49 2kw4 n MET 48 Cb 0.19 -2.06 0.00 0.00 -0.71 0.00 0.00 33.22 30.64 2kw4 n MET 48 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2kw4 n ARG 49 N 0.51 0.00 0.00 0.03 1.74 -0.48 -3.25 116.66 115.21 2kw4 n ARG 49 Ca 0.21 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.37 2kw4 n ARG 49 Cb 0.96 0.00 0.35 0.00 -1.02 0.00 0.00 32.46 32.74 2kw4 n ARG 49 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2kw4 n ASN 50 N -2.43 0.00 -0.30 0.55 0.23 -1.26 -3.25 115.26 108.80 2kw4 n ASN 50 Ca 0.00 0.37 0.08 0.00 -0.53 0.00 0.00 54.58 54.50 2kw4 n ASN 50 Cb 0.00 -0.44 0.24 0.00 -2.08 0.00 0.00 39.78 37.50 2kw4 n ASN 50 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 2kw4 h VAL 51 N 0.00 0.71 0.00 3.53 2.07 -1.89 0.31 116.25 120.98 2kw4 h VAL 51 Ca 0.00 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2kw4 h VAL 51 Cb 0.23 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2kw4 h VAL 51 CO 0.00 0.11 -0.10 0.00 0.02 0.00 0.00 177.57 177.60 2kw4 h ALA 52 N 1.57 0.96 0.04 1.67 0.00 -1.67 -3.24 119.26 118.59 2kw4 h ALA 52 Ca 0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2kw4 h ALA 52 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2kw4 h ALA 52 CO -0.37 0.13 -0.02 0.78 0.00 0.00 0.00 179.25 179.77 2kw4 h GLY 53 N 3.04 -0.05 0.24 0.00 0.00 -0.64 -2.41 103.07 103.24 2kw4 h GLY 53 Ca -0.00 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.42 2kw4 h GLY 53 CO 0.01 -0.02 -0.09 1.05 0.00 0.00 0.00 176.54 177.49 2kw4 h GLU 54 N -0.82 0.00 -0.07 4.80 4.11 -1.24 -0.35 114.58 121.01 2kw4 h GLU 54 Ca -0.01 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 2kw4 h GLU 54 Cb 0.68 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2kw4 h GLU 54 CO 0.01 0.00 -0.22 0.82 0.07 0.00 0.00 179.01 179.69 2kw4 h ILE 55 N 0.00 1.20 -0.76 -1.06 2.04 -1.67 -2.58 117.51 114.67 2kw4 h ILE 55 Ca 0.18 -0.91 0.18 0.00 1.00 0.00 0.00 64.86 65.31 2kw4 h ILE 55 Cb 0.28 1.39 -0.12 0.00 -0.74 0.00 0.00 36.82 37.63 2kw4 h ILE 55 CO -0.39 0.27 0.12 0.00 0.00 0.00 0.00 178.15 178.15 2kw4 h ALA 56 N 1.66 0.94 -0.30 1.87 0.00 -0.52 -0.85 119.26 122.07 2kw4 h ALA 56 Ca 0.02 0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2kw4 h ALA 56 Cb 0.46 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 2kw4 h ALA 56 CO 0.03 -0.39 -0.25 0.00 0.00 0.00 0.00 179.25 178.64 2kw4 h ALA 57 N 1.67 -0.09 -0.71 0.00 0.00 -1.48 0.16 119.26 118.82 2kw4 h ALA 57 Ca 0.44 0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.65 2kw4 h ALA 57 Cb 0.79 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2kw4 h ALA 57 CO -0.59 -0.66 0.53 0.00 0.00 0.00 0.00 179.25 178.53 2kw4 h ALA 58 N 0.86 2.63 0.11 0.00 0.00 -1.31 0.35 119.26 121.89 2kw4 h ALA 58 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2kw4 h ALA 58 Cb 0.47 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kw4 h ALA 58 CO -0.43 -0.90 -0.05 -0.07 0.00 0.00 0.00 179.25 177.80 2kw4 h LEU 59 N 0.00 -0.12 -2.49 0.00 3.38 -0.47 -3.09 115.31 112.52 2kw4 h LEU 59 Ca 0.34 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.33 2kw4 h LEU 59 Cb 1.40 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 2kw4 h LEU 59 CO -0.00 -0.02 0.10 1.88 0.09 0.00 0.00 178.44 180.49 2kw4 h TYR 60 N -0.28 0.00 -0.71 1.13 0.05 -1.11 -1.24 116.97 114.81 2kw4 h TYR 60 Ca -0.01 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 2kw4 h TYR 60 Cb 0.11 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 2kw4 h TYR 60 CO 0.07 0.00 0.23 0.00 -1.05 0.00 0.00 178.16 177.42 2kw4 h ALA 61 N 1.85 0.92 0.02 3.88 0.00 -0.37 -2.36 119.26 123.21 2kw4 h ALA 61 Ca 0.03 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 2kw4 h ALA 61 Cb 0.23 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.76 2kw4 h ALA 61 CO -0.00 0.59 -0.72 0.28 0.00 0.00 0.00 179.25 179.40 2kw4 h VAL 62 N 1.03 1.41 -0.41 0.00 2.07 -1.15 -1.18 116.25 118.02 2kw4 h VAL 62 Ca 0.23 -2.17 0.08 0.00 0.82 0.00 0.00 66.70 65.67 2kw4 h VAL 62 Cb 0.29 2.63 -0.08 0.00 -1.52 0.00 0.00 31.29 32.61 2kw4 h VAL 62 CO -0.01 0.64 -0.11 0.11 0.02 0.00 0.00 177.57 178.22 2kw4 h LYS 63 N -0.03 -0.00 0.01 1.57 1.57 -1.41 -1.54 116.57 116.73 2kw4 h LYS 63 Ca -0.10 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.48 2kw4 h LYS 63 Cb 1.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 2kw4 h LYS 63 CO 0.14 -0.00 -0.90 0.87 -0.57 0.00 0.00 179.45 178.99 2kw4 h LYS 64 N -0.00 0.18 -0.90 3.15 1.57 -1.52 -3.26 116.57 115.78 2kw4 h LYS 64 Ca 0.20 -0.20 0.18 0.00 -1.87 0.00 0.00 60.65 58.95 2kw4 h LYS 64 Cb 0.31 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.57 2kw4 h LYS 64 CO -0.43 0.96 0.48 0.00 -0.57 0.00 0.00 179.45 179.89 2kw4 h ALA 65 N 0.97 1.43 0.00 3.86 0.00 -0.22 0.37 119.26 125.66 2kw4 h ALA 65 Ca -0.04 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2kw4 h ALA 65 Cb 1.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2kw4 h ALA 65 CO 0.14 -0.14 -0.23 1.03 0.00 0.00 0.00 179.25 180.05 2kw4 h SER 66 N 0.61 0.00 -0.00 0.00 0.87 -1.44 -0.17 113.55 113.41 2kw4 h SER 66 Ca 0.52 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.94 2kw4 h SER 66 Cb 0.83 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.80 2kw4 h SER 66 CO -0.41 0.23 -0.53 1.56 -0.53 0.00 0.00 176.83 177.15 2kw4 h GLN 67 N 0.00 0.36 0.00 2.24 4.20 -0.46 -3.18 115.11 118.28 2kw4 h GLN 67 Ca -0.00 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2kw4 h GLN 67 Cb 0.44 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2kw4 h GLN 67 CO 0.03 1.07 0.00 1.28 -0.67 0.00 0.00 178.83 180.54 2kw4 n LEU 68 N -4.27 0.00 -2.90 1.46 4.32 -0.39 -4.89 117.00 110.32 2kw4 n LEU 68 Ca -0.10 0.33 -0.19 0.00 -0.02 0.00 0.00 56.01 56.03 2kw4 n LEU 68 Cb 0.64 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 2kw4 n LEU 68 CO 0.45 -0.03 -0.09 0.61 -1.22 0.00 0.00 177.39 177.12 2kw4 n GLY 69 N 1.12 -0.50 0.07 -0.72 0.00 -0.09 -4.82 105.19 100.25 2kw4 n GLY 69 Ca 0.12 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 2kw4 n GLY 69 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kw4 n VAL 70 N -3.82 0.88 -2.71 1.61 0.24 -1.13 -4.91 118.33 108.48 2kw4 n VAL 70 Ca -0.09 -0.49 0.10 0.00 -2.04 0.00 0.00 64.34 61.82 2kw4 n VAL 70 Cb 0.59 -0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 32.16 2kw4 n VAL 70 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2kw4 n LYS 71 N -2.60 -1.42 -4.30 7.34 4.01 -1.23 -4.89 118.16 115.06 2kw4 n LYS 71 Ca -0.23 0.94 -0.20 0.00 -0.51 0.00 0.00 58.31 58.32 2kw4 n LYS 71 Cb 0.88 -1.74 -0.16 0.00 -0.51 0.00 0.00 35.03 33.51 2kw4 n LYS 71 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 2kw4 s ILE 72 N -1.18 0.67 -0.68 -0.18 -4.36 -1.26 -5.01 121.20 109.20 2kw4 s ILE 72 Ca 0.00 -0.27 -0.27 0.00 -0.26 0.00 0.00 60.65 59.85 2kw4 s ILE 72 Cb 0.00 -0.62 0.01 0.00 1.25 0.00 0.00 42.46 43.10 2kw4 s ILE 72 CO 0.00 0.23 1.49 -0.13 0.24 0.00 0.00 174.94 176.77 2kw4 s ARG 73 N 0.39 3.01 -0.13 0.37 1.81 -1.08 -4.40 118.95 118.92 2kw4 s ARG 73 Ca -0.06 0.13 0.21 0.00 -1.72 0.00 0.00 55.73 54.29 2kw4 s ARG 73 Cb -0.10 -4.24 0.41 0.00 -0.45 0.00 0.00 34.95 30.57 2kw4 s ARG 73 CO 0.00 -2.32 1.17 -0.89 -0.68 0.00 0.00 175.30 172.58 2kw4 n ILE 74 N 6.72 0.47 0.46 1.52 5.41 -1.26 -3.40 119.36 129.28 2kw4 n ILE 74 Ca 0.10 -1.60 -0.19 0.00 1.00 0.00 0.00 62.75 62.06 2kw4 n ILE 74 Cb 0.50 1.06 -0.09 0.00 -0.71 0.00 0.00 39.64 40.40 2kw4 n ILE 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2kw4 h LEU 75 N 1.49 -0.99 -2.84 1.39 5.85 -1.85 -3.34 115.31 115.03 2kw4 h LEU 75 Ca -0.26 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2kw4 h LEU 75 Cb 1.55 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.84 2kw4 h LEU 75 CO 0.06 -0.68 -0.04 1.41 -0.34 0.00 0.00 178.44 178.84 2kw4 n HIS 76 N -5.58 0.00 -1.89 1.25 8.25 -1.26 -4.69 115.22 111.30 2kw4 n HIS 76 Ca -0.15 -0.74 -0.42 0.00 -0.26 0.00 0.00 57.72 56.15 2kw4 n HIS 76 Cb 0.46 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 2kw4 n HIS 76 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kw4 s ASP 77 N -2.10 6.57 -0.43 0.41 2.15 -1.26 -4.89 116.67 117.13 2kw4 s ASP 77 Ca 0.19 2.54 -0.01 0.00 0.43 0.00 0.00 52.55 55.70 2kw4 s ASP 77 Cb 0.17 -2.56 0.29 0.00 -0.30 0.00 0.00 42.92 40.52 2kw4 s ASP 77 CO 0.02 -0.90 2.02 -1.22 -0.17 0.00 0.00 175.17 174.92 2kw4 n TYR 78 N 5.55 2.08 -0.09 -5.34 4.01 -1.26 -4.63 117.16 117.48 2kw4 n TYR 78 Ca 0.16 -2.31 -0.11 0.00 -0.16 0.00 0.00 57.90 55.49 2kw4 n TYR 78 Cb 0.40 -1.12 0.10 0.00 -0.31 0.00 0.00 39.34 38.42 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kw4 n ALA 79 N -0.06 -1.82 -0.17 -0.72 0.00 -1.26 -4.45 120.51 112.03 2kw4 n ALA 79 Ca 0.41 -0.53 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 2kw4 n ALA 79 Cb 0.61 -0.05 0.08 0.00 0.00 0.00 0.00 19.45 20.09 2kw4 n ALA 79 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kw4 h GLY 80 N -1.90 0.69 0.85 0.00 0.00 -1.48 -1.17 103.07 100.06 2kw4 h GLY 80 Ca -0.14 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.17 2kw4 h GLY 80 CO 0.08 -0.04 0.58 -2.22 0.00 0.00 0.00 176.54 174.94 2kw4 h ILE 81 N 0.31 1.13 0.00 2.60 5.03 -1.89 0.51 117.51 125.19 2kw4 h ILE 81 Ca 0.26 -0.38 0.00 0.00 -0.12 0.00 0.00 64.86 64.62 2kw4 h ILE 81 Cb 0.33 -0.08 0.00 0.00 -3.03 0.00 0.00 36.82 34.04 2kw4 h ILE 81 CO -0.30 0.20 0.00 0.00 -0.68 0.00 0.00 178.15 177.37 2kw4 n ALA 82 N -2.35 2.17 0.05 1.87 0.00 -0.63 -2.05 120.51 119.57 2kw4 n ALA 82 Ca 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 2kw4 n ALA 82 Cb 0.11 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 2kw4 n ALA 82 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2kw4 h PHE 83 N 0.00 -0.20 0.00 0.00 3.04 0.26 -3.34 116.94 116.70 2kw4 h PHE 83 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2kw4 h PHE 83 Cb 0.23 0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.80 2kw4 h PHE 83 CO 0.00 0.10 -0.22 0.11 -2.02 0.00 0.00 178.31 176.28 2kw4 h TRP 84 N -0.99 0.00 -0.21 0.41 0.09 -1.60 -3.28 115.95 110.36 2kw4 h TRP 84 Ca -0.02 0.00 0.06 0.00 0.09 0.00 0.00 58.89 59.02 2kw4 h TRP 84 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.62 2kw4 h TRP 84 CO 0.06 0.00 0.38 0.00 0.09 0.00 0.00 178.44 178.97 2kw4 h ALA 85 N 2.28 1.74 0.00 0.11 0.00 -1.53 0.27 119.26 122.12 2kw4 h ALA 85 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kw4 h ALA 85 Cb 0.86 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2kw4 h ALA 85 CO 0.00 -0.49 0.00 1.79 0.00 0.00 0.00 179.25 180.55 2kw4 h THR 86 N 0.00 0.00 -2.50 0.00 1.35 -1.73 -3.40 112.91 106.64 2kw4 h THR 86 Ca 0.10 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2kw4 h THR 86 Cb 0.86 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 2kw4 h THR 86 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2kw4 n GLY 87 N -0.78 -0.29 0.13 5.82 0.00 0.93 -5.05 105.19 105.96 2kw4 n GLY 87 Ca -0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 2kw4 n GLY 87 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kw4 n GLU 88 N -0.62 0.63 -4.40 1.61 0.00 -1.25 -5.01 120.64 111.60 2kw4 n GLU 88 Ca 0.00 0.17 -0.24 0.00 0.00 0.00 0.00 57.16 57.09 2kw4 n GLU 88 Cb 0.20 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.04 2kw4 n GLU 88 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.13 176.67 2kw4 s TRP 89 N -2.51 2.43 0.76 4.31 -0.00 -1.26 -5.11 118.94 117.56 2kw4 s TRP 89 Ca -0.35 -0.29 -0.15 0.00 -0.00 0.00 0.00 56.10 55.30 2kw4 s TRP 89 Cb 0.10 -1.10 0.03 0.00 -0.00 0.00 0.00 33.47 32.51 2kw4 s TRP 89 CO 0.57 0.64 0.99 1.63 -0.00 0.00 0.00 176.95 180.78 2kw4 n LYS 90 N -0.49 0.35 0.32 5.86 4.76 -1.26 -4.31 118.16 123.38 2kw4 n LYS 90 Ca -0.07 0.18 0.21 0.00 -2.87 0.00 0.00 58.31 55.76 2kw4 n LYS 90 Cb 0.59 -2.26 1.11 0.00 -1.84 0.00 0.00 35.03 32.63 2kw4 n LYS 90 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kw4 h ALA 91 N -0.55 1.00 0.00 7.82 0.00 -1.86 0.05 119.26 125.72 2kw4 h ALA 91 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kw4 h ALA 91 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2kw4 h ALA 91 CO 0.46 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.34 2kw4 n LYS 92 N -3.01 0.18 -1.98 0.00 5.02 -1.26 -4.42 118.16 112.69 2kw4 n LYS 92 Ca -0.02 0.11 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 2kw4 n LYS 92 Cb 0.10 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 2kw4 n LYS 92 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2kw4 s ASN 93 N -2.74 6.02 0.54 4.39 3.84 0.00 -4.79 114.94 122.20 2kw4 s ASN 93 Ca 0.16 1.50 0.00 0.00 0.21 0.00 0.00 52.86 54.73 2kw4 s ASN 93 Cb 0.14 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.31 2kw4 s ASN 93 CO 0.34 -1.58 0.00 1.21 -2.79 0.00 0.00 177.10 174.29 2kw4 n GLU 94 N 8.21 -0.60 -0.24 0.43 2.13 -1.26 -3.78 120.64 125.53 2kw4 n GLU 94 Ca 0.22 0.40 0.06 0.00 0.66 0.00 0.00 57.16 58.50 2kw4 n GLU 94 Cb 0.46 -0.74 0.19 0.00 0.27 0.00 0.00 31.44 31.62 2kw4 n GLU 94 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2kw4 n PHE 95 N -1.87 0.62 0.04 4.31 7.35 -1.26 -4.27 117.46 122.38 2kw4 n PHE 95 Ca 0.00 -0.29 0.21 0.00 -0.76 0.00 0.00 57.45 56.61 2kw4 n PHE 95 Cb 0.14 -0.04 0.73 0.00 0.35 0.00 0.00 39.48 40.66 2kw4 n PHE 95 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2kw4 h THR 96 N 2.39 0.52 -0.66 -2.13 2.02 -1.89 -1.57 112.91 111.59 2kw4 h THR 96 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 2kw4 h THR 96 Cb 0.63 0.68 -0.11 0.00 -1.74 0.00 0.00 68.15 67.61 2kw4 h THR 96 CO 0.03 0.00 0.07 -0.61 0.37 0.00 0.00 175.52 175.38 2kw4 h GLN 97 N 0.00 0.17 -1.23 6.66 4.15 -1.73 0.11 115.11 123.23 2kw4 h GLN 97 Ca 0.24 -0.01 0.39 0.00 0.77 0.00 0.00 58.65 60.04 2kw4 h GLN 97 Cb 1.10 -0.04 -0.12 0.00 0.21 0.00 0.00 27.48 28.63 2kw4 h GLN 97 CO -0.00 0.11 0.79 0.00 -1.93 0.00 0.00 178.83 177.80 2kw4 h ALA 98 N 1.58 2.58 -0.01 3.38 0.00 -1.59 0.12 119.26 125.32 2kw4 h ALA 98 Ca 0.35 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.41 2kw4 h ALA 98 Cb 0.58 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2kw4 h ALA 98 CO -0.52 -1.16 -0.27 -0.92 0.00 0.00 0.00 179.25 176.38 2kw4 h TYR 99 N 0.16 -0.73 -0.46 0.00 3.20 -0.95 0.26 116.97 118.45 2kw4 h TYR 99 Ca 0.76 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.78 2kw4 h TYR 99 Cb 2.29 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 40.86 2kw4 h TYR 99 CO -0.01 -0.36 0.32 0.00 -1.64 0.00 0.00 178.16 176.47 2kw4 h ALA 100 N 0.39 2.31 0.03 1.82 0.00 -0.87 -0.47 119.26 122.48 2kw4 h ALA 100 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kw4 h ALA 100 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kw4 h ALA 100 CO -0.24 -0.43 -0.01 0.87 0.00 0.00 0.00 179.25 179.44 2kw4 h LYS 101 N 0.10 -0.04 0.00 0.00 1.57 -0.95 -3.21 116.57 114.04 2kw4 h LYS 101 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2kw4 h LYS 101 Cb 0.74 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2kw4 h LYS 101 CO -0.02 0.65 0.00 -0.07 -0.57 0.00 0.00 179.45 179.44 2kw4 h LEU 102 N -0.82 0.00 0.21 2.94 3.38 -0.00 -3.13 115.31 117.90 2kw4 h LEU 102 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kw4 h LEU 102 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2kw4 h LEU 102 CO 0.01 0.00 -0.16 -0.03 0.09 0.00 0.00 178.44 178.35 2kw4 h MET 103 N 0.00 -0.34 -0.51 1.13 4.05 -1.10 -2.46 114.93 115.70 2kw4 h MET 103 Ca 0.00 0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.59 2kw4 h MET 103 Cb 0.10 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 2kw4 h MET 103 CO 0.00 -0.23 0.39 -0.97 0.23 0.00 0.00 176.91 176.33 2kw4 h ASN 104 N -0.36 0.00 -0.56 1.39 -1.24 -1.69 0.18 115.58 113.31 2kw4 h ASN 104 Ca -0.03 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.10 2kw4 h ASN 104 Cb 0.30 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.25 2kw4 h ASN 104 CO 0.01 0.00 -0.06 -0.61 -1.29 0.00 0.00 177.43 175.48 2kw4 h GLN 105 N 0.00 0.06 -0.35 6.67 -0.00 -1.46 -2.97 115.11 117.06 2kw4 h GLN 105 Ca 0.24 -0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.62 2kw4 h GLN 105 Cb 1.01 -0.01 -0.31 0.00 0.00 0.00 0.00 27.48 28.17 2kw4 h GLN 105 CO -0.00 0.04 -0.85 2.48 0.00 0.00 0.00 178.83 180.50 2kw4 n TYR 106 N -5.31 1.21 -2.92 3.99 0.18 -0.67 -5.06 117.16 108.57 2kw4 n TYR 106 Ca 0.07 -1.71 -0.41 0.00 1.88 0.00 0.00 57.90 57.73 2kw4 n TYR 106 Cb 0.31 -0.26 -0.04 0.00 -0.38 0.00 0.00 39.34 38.97 2kw4 n TYR 106 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 2kw4 s ARG 107 N -2.91 4.44 0.00 -3.48 3.00 0.55 -4.42 118.95 116.13 2kw4 s ARG 107 Ca 0.39 1.06 0.00 0.00 -1.00 0.00 0.00 55.73 56.18 2kw4 s ARG 107 Cb 0.37 -3.48 0.00 0.00 0.00 0.00 0.00 34.95 31.85 2kw4 s ARG 107 CO -0.04 -0.05 0.00 0.41 0.00 0.00 0.00 175.30 175.62 2kw4 n GLY 108 N 3.12 0.17 0.08 8.12 0.00 -1.26 -4.96 105.19 110.46 2kw4 n GLY 108 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2kw4 n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kw4 n ILE 109 N 0.00 1.06 -3.86 -0.61 -0.00 -1.26 -5.03 119.36 109.66 2kw4 n ILE 109 Ca 0.00 -0.56 -0.26 0.00 -0.00 0.00 0.00 62.75 61.93 2kw4 n ILE 109 Cb 0.00 -0.81 -0.01 0.00 -0.00 0.00 0.00 39.64 38.82 2kw4 n ILE 109 CO 0.00 0.00 0.00 -0.72 -0.00 0.00 0.00 176.55 175.83 2kw4 s TYR 110 N -2.37 1.77 0.08 4.28 1.13 -1.26 -4.29 117.35 116.68 2kw4 s TYR 110 Ca -0.14 -0.80 0.05 0.00 -1.41 0.00 0.00 57.07 54.77 2kw4 s TYR 110 Cb 0.05 -1.94 -0.03 0.00 -1.10 0.00 0.00 41.96 38.94 2kw4 s TYR 110 CO 0.55 -0.42 -0.14 -1.54 -2.51 0.00 0.00 175.55 171.50 2kw4 s SER 111 N -4.25 1.70 -0.26 -0.18 1.04 -1.26 -5.02 113.70 105.47 2kw4 s SER 111 Ca 0.36 -0.64 -0.29 0.00 0.48 0.00 0.00 55.95 55.86 2kw4 s SER 111 Cb -0.02 -0.05 0.17 0.00 0.10 0.00 0.00 66.02 66.22 2kw4 s SER 111 CO 0.22 -0.09 1.27 -0.36 0.98 0.00 0.00 173.24 175.26 2kw4 s PHE 112 N -1.40 -0.14 0.06 5.02 0.08 -1.25 -4.51 117.98 115.83 2kw4 s PHE 112 Ca -0.01 0.27 -0.01 0.00 0.12 0.00 0.00 56.93 57.30 2kw4 s PHE 112 Cb -0.09 0.48 0.01 0.00 -0.57 0.00 0.00 43.02 42.85 2kw4 s PHE 112 CO 0.02 -0.12 0.08 -1.91 -0.10 0.00 0.00 175.22 173.19 2kw4 n GLU 113 N 0.82 -0.05 -2.31 0.44 4.07 -1.26 -4.99 120.64 117.36 2kw4 n GLU 113 Ca -0.05 -0.12 -0.42 0.00 -0.06 0.00 0.00 57.16 56.51 2kw4 n GLU 113 Cb 0.58 -0.08 -0.03 0.00 -0.06 0.00 0.00 31.44 31.85 2kw4 n GLU 113 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2kw4 s LYS 114 N -3.14 4.39 -0.10 5.31 2.20 -1.26 -5.02 119.74 122.11 2kw4 s LYS 114 Ca 0.04 1.91 0.02 0.00 -0.36 0.00 0.00 55.97 57.59 2kw4 s LYS 114 Cb -0.00 -3.29 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 2kw4 s LYS 114 CO 0.03 -0.31 -0.16 0.14 -0.36 0.00 0.00 175.35 174.69 2kw4 s VAL 115 N 0.91 1.56 0.00 4.02 -7.23 -1.26 -4.39 120.40 114.00 2kw4 s VAL 115 Ca 0.60 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 60.09 2kw4 s VAL 115 Cb -0.33 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.20 2kw4 s VAL 115 CO 0.31 0.45 0.00 0.29 -0.31 0.00 0.00 175.10 175.84 2kw4 n LYS 116 N 4.08 0.00 -3.15 4.82 5.02 -1.26 -4.48 118.16 123.19 2kw4 n LYS 116 Ca -0.20 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.14 2kw4 n LYS 116 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.49 2kw4 n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kw4 s ALA 117 N -4.75 -3.69 -0.30 7.82 0.00 -1.26 -3.37 121.76 116.21 2kw4 s ALA 117 Ca 0.00 1.49 -0.26 0.00 0.00 0.00 0.00 51.96 53.19 2kw4 s ALA 117 Cb 0.00 -2.49 0.20 0.00 0.00 0.00 0.00 23.12 20.82 2kw4 s ALA 117 CO 0.00 -1.25 1.45 -1.58 0.00 0.00 0.00 175.76 174.38 2kw4 s HIS 118 N 2.50 -0.02 0.00 0.00 5.04 -1.26 -4.11 115.29 117.43 2kw4 s HIS 118 Ca -0.05 0.05 0.00 0.00 -1.54 0.00 0.00 55.06 53.52 2kw4 s HIS 118 Cb -0.04 0.49 0.00 0.00 0.04 0.00 0.00 32.58 33.07 2kw4 s HIS 118 CO -0.11 -0.01 0.00 0.43 -2.34 0.00 0.00 174.74 172.71 2kw4 n SER 119 N 1.27 0.00 0.00 9.88 7.64 -1.26 -4.71 113.62 126.44 2kw4 n SER 119 Ca -0.07 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.95 2kw4 n SER 119 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2kw4 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kw4 n GLY 120 N 5.00 3.42 0.32 0.23 0.00 -1.26 -4.87 105.19 108.03 2kw4 n GLY 120 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2kw4 n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kw4 n ASN 121 N 0.00 0.00 -0.79 1.61 3.02 -1.26 -4.90 115.26 112.94 2kw4 n ASN 121 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 2kw4 n ASN 121 Cb 0.00 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.36 2kw4 n ASN 121 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2kw4 n GLU 122 N -1.46 2.90 -0.26 3.52 0.28 -1.26 -4.64 120.64 119.73 2kw4 n GLU 122 Ca 0.00 -2.24 0.06 0.00 -0.16 0.00 0.00 57.16 54.83 2kw4 n GLU 122 Cb 0.00 -1.39 0.19 0.00 1.43 0.00 0.00 31.44 31.68 2kw4 n GLU 122 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2kw4 h PHE 123 N 2.36 0.29 0.00 -1.84 -0.00 -1.92 0.38 116.94 116.21 2kw4 h PHE 123 Ca 0.00 0.04 -0.07 0.00 -0.00 0.00 0.00 57.97 57.95 2kw4 h PHE 123 Cb 0.86 -0.01 -0.01 0.00 -0.00 0.00 0.00 35.95 36.79 2kw4 h PHE 123 CO 0.31 -0.09 -0.32 -2.95 -0.00 0.00 0.00 178.31 175.25 2kw4 h ASN 124 N 0.27 0.00 1.03 -0.68 7.08 -1.82 -1.07 115.58 120.39 2kw4 h ASN 124 Ca 0.43 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.62 2kw4 h ASN 124 Cb 0.75 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.99 2kw4 h ASN 124 CO -0.53 0.32 -0.14 0.44 -2.08 0.00 0.00 177.43 175.45 2kw4 h ASP 125 N 0.00 0.00 -0.69 6.14 3.32 -0.49 -3.17 116.42 121.54 2kw4 h ASP 125 Ca -0.00 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.17 2kw4 h ASP 125 Cb 1.09 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.56 2kw4 h ASP 125 CO 0.04 0.14 0.24 0.22 -1.72 0.00 0.00 179.24 178.17 2kw4 h TYR 126 N 0.00 0.42 -0.12 4.55 5.03 -1.07 0.30 116.97 126.07 2kw4 h TYR 126 Ca -0.00 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.38 2kw4 h TYR 126 Cb 0.69 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.88 2kw4 h TYR 126 CO 0.00 0.05 0.23 -0.39 -1.32 0.00 0.00 178.16 176.73 2kw4 h VAL 127 N 0.40 0.25 -0.19 1.81 -1.51 -1.76 -1.16 116.25 114.09 2kw4 h VAL 127 Ca 0.36 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.81 2kw4 h VAL 127 Cb 0.52 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 2kw4 h VAL 127 CO -0.38 0.00 0.02 0.44 -1.23 0.00 0.00 177.57 176.42 2kw4 h ASP 128 N 0.00 0.31 0.06 4.19 3.32 -0.59 0.36 116.42 124.06 2kw4 h ASP 128 Ca 0.06 -0.27 -0.19 0.00 0.02 0.00 0.00 57.03 56.65 2kw4 h ASP 128 Cb 0.51 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 2kw4 h ASP 128 CO -0.00 0.51 -0.70 -0.03 -1.72 0.00 0.00 179.24 177.30 2kw4 h MET 129 N 0.10 0.58 0.32 3.56 4.05 -1.27 -2.66 114.93 119.62 2kw4 h MET 129 Ca 0.06 -0.44 -0.02 0.00 -0.28 0.00 0.00 59.70 59.02 2kw4 h MET 129 Cb 0.33 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 2kw4 h MET 129 CO 0.01 1.07 -0.15 -0.22 0.23 0.00 0.00 176.91 177.84 2kw4 h LYS 130 N 0.41 -0.42 -0.78 0.39 3.11 -1.32 -3.18 116.57 114.78 2kw4 h LYS 130 Ca -0.03 0.03 0.18 0.00 -2.81 0.00 0.00 60.65 58.02 2kw4 h LYS 130 Cb 1.28 0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 32.56 2kw4 h LYS 130 CO 0.13 -0.09 0.53 0.00 -2.81 0.00 0.00 179.45 177.21 2kw4 h ALA 131 N -0.52 2.26 -0.89 5.00 0.00 -0.38 0.30 119.26 125.02 2kw4 h ALA 131 Ca -0.04 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.09 2kw4 h ALA 131 Cb 0.52 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2kw4 h ALA 131 CO 0.07 -0.49 0.61 0.87 0.00 0.00 0.00 179.25 180.31 2kw4 h LYS 132 N 0.32 0.23 -0.39 0.00 1.57 -1.44 0.21 116.57 117.07 2kw4 h LYS 132 Ca 0.39 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 59.05 2kw4 h LYS 132 Cb 1.04 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 2kw4 h LYS 132 CO -0.11 0.15 -0.19 0.77 -0.57 0.00 0.00 179.45 179.50 2kw4 h SER 133 N 0.23 0.74 -0.92 0.86 0.02 -1.03 -2.41 113.55 111.05 2kw4 h SER 133 Ca 0.45 -0.25 0.14 0.00 -0.84 0.00 0.00 61.79 61.29 2kw4 h SER 133 Cb 1.38 -0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.63 2kw4 h SER 133 CO -0.11 0.93 0.54 0.00 -1.14 0.00 0.00 176.83 177.04 2kw4 h ALA 134 N 1.13 1.41 -0.01 3.77 0.00 -0.67 -2.16 119.26 122.74 2kw4 h ALA 134 Ca 0.10 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2kw4 h ALA 134 Cb 0.68 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2kw4 h ALA 134 CO 0.05 0.04 -0.58 -0.07 0.00 0.00 0.00 179.25 178.70 2kw4 h LEU 135 N 0.79 0.52 0.00 0.00 3.38 -1.51 -3.43 115.31 115.06 2kw4 h LEU 135 Ca 0.49 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2kw4 h LEU 135 Cb 0.61 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2kw4 h LEU 135 CO -0.32 1.20 0.00 0.61 0.09 0.00 0.00 178.44 180.02 2kw4 n GLY 136 N 1.05 0.94 3.76 0.83 0.00 -0.81 -5.10 105.19 105.85 2kw4 n GLY 136 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2kw4 n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kw4 s ILE 137 N -1.71 2.95 0.71 -0.61 -1.09 -1.17 -5.02 121.20 115.27 2kw4 s ILE 137 Ca 0.00 0.55 -0.12 0.00 -2.23 0.00 0.00 60.65 58.85 2kw4 s ILE 137 Cb 0.00 -3.17 0.18 0.00 -1.58 0.00 0.00 42.46 37.89 2kw4 s ILE 137 CO 0.00 -0.17 0.46 -2.11 -1.23 0.00 0.00 174.94 171.89 2kw4 n ARG 138 N -1.71 -3.17 -3.64 2.79 -4.01 -1.26 -4.97 116.66 100.69 2kw4 n ARG 138 Ca 0.12 -0.76 -0.02 0.00 -1.04 0.00 0.00 57.85 56.15 2kw4 n ARG 138 Cb 0.51 -0.92 -0.03 0.00 -3.04 0.00 0.00 32.46 28.98 2kw4 n ARG 138 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 2kw4 s ASP 139 N -2.64 -0.02 -0.40 2.89 2.15 -1.26 -5.12 116.67 112.27 2kw4 s ASP 139 Ca 0.34 0.01 -0.01 0.00 0.43 0.00 0.00 52.55 53.32 2kw4 s ASP 139 Cb -0.05 0.02 0.20 0.00 -0.30 0.00 0.00 42.92 42.78 2kw4 s ASP 139 CO 0.28 -0.03 0.91 -0.76 -0.17 0.00 0.00 175.17 175.40 2kw4 s LEU 140 N -1.69 -0.82 0.01 -1.34 1.43 -1.26 -5.04 118.68 109.97 2kw4 s LEU 140 Ca 0.11 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2kw4 s LEU 140 Cb -0.01 1.07 0.00 0.00 0.03 0.00 0.00 46.19 47.28 2kw4 s LEU 140 CO -0.04 -0.05 0.00 -0.62 0.23 0.00 0.00 176.35 175.86 2kw4 n GLU 141 N 3.21 0.00 -2.28 1.70 1.02 -1.26 -5.13 120.64 117.90 2kw4 n GLU 141 Ca 0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.24 2kw4 n GLU 141 Cb 0.61 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.01 2kw4 n GLU 141 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kw4 n HIS 142 N -1.96 -3.95 -3.62 -0.32 -0.00 -1.26 -5.09 115.22 99.01 2kw4 n HIS 142 Ca 0.00 2.33 -0.05 0.00 0.46 0.00 0.00 57.72 60.46 2kw4 n HIS 142 Cb 0.00 -3.56 -0.05 0.00 -0.12 0.00 0.00 29.99 26.26 2kw4 n HIS 142 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kw4 s HIS 143 N -0.53 -0.15 -0.27 1.57 5.04 -1.26 -5.18 115.29 114.50 2kw4 s HIS 143 Ca -0.12 0.26 -0.28 0.00 -1.54 0.00 0.00 55.06 53.39 2kw4 s HIS 143 Cb 0.01 0.48 0.18 0.00 0.04 0.00 0.00 32.58 33.28 2kw4 s HIS 143 CO 0.33 -0.13 1.32 -1.58 -2.34 0.00 0.00 174.74 172.34 2kw4 s HIS 144 N -0.95 -0.12 -0.05 3.88 2.46 -1.26 -5.19 115.29 114.06 2kw4 s HIS 144 Ca 0.05 0.24 -0.31 0.00 0.47 0.00 0.00 55.06 55.51 2kw4 s HIS 144 Cb -0.01 0.48 0.12 0.00 -0.13 0.00 0.00 32.58 33.04 2kw4 s HIS 144 CO -0.05 -0.08 1.27 -1.58 -2.47 0.00 0.00 174.74 171.82 2kw4 s HIS 145 N -0.59 -0.06 -0.30 3.88 5.04 -1.26 -5.16 115.29 116.84 2kw4 s HIS 145 Ca 0.07 -0.03 -0.13 0.00 -1.54 0.00 0.00 55.06 53.42 2kw4 s HIS 145 Cb -0.03 0.54 0.18 0.00 0.04 0.00 0.00 32.58 33.31 2kw4 s HIS 145 CO -0.09 -0.27 1.07 -1.58 -2.34 0.00 0.00 174.74 171.52 2kw4 s HIS 146 N -2.44 -0.48 0.00 3.88 2.46 -1.26 -5.38 115.29 112.07 2kw4 s HIS 146 Ca 0.13 0.47 0.00 0.00 0.47 0.00 0.00 55.06 56.13 2kw4 s HIS 146 Cb 0.04 0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.64 2kw4 s HIS 146 CO -0.04 -0.27 0.00 1.58 -2.47 0.00 0.00 174.74 173.54