#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw4 n ASP 2 N 0.00 -6.57 -3.75 6.12 -0.08 -1.26 -1.82 116.55 109.18 2kw4 n ASP 2 Ca 0.00 1.26 -0.13 0.00 -1.51 0.00 0.00 54.79 54.41 2kw4 n ASP 2 Cb 0.00 -4.14 -0.11 0.00 2.34 0.00 0.00 41.12 39.21 2kw4 n ASP 2 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 2kw4 s ASP 3 N -6.56 -0.36 -0.20 1.67 1.47 -1.26 -0.08 116.67 111.34 2kw4 s ASP 3 Ca 0.00 0.69 0.16 0.00 1.18 0.00 0.00 52.55 54.58 2kw4 s ASP 3 Cb 0.00 0.70 0.64 0.00 -0.34 0.00 0.00 42.92 43.92 2kw4 s ASP 3 CO 0.00 -0.12 1.55 -2.11 0.68 0.00 0.00 175.17 175.17 2kw4 n ARG 4 N 2.95 3.68 -3.39 2.11 1.85 -1.26 -4.86 116.66 117.73 2kw4 n ARG 4 Ca -0.13 -2.98 -0.24 0.00 -1.00 0.00 0.00 57.85 53.50 2kw4 n ARG 4 Cb 0.57 -2.01 -0.01 0.00 -1.05 0.00 0.00 32.46 29.96 2kw4 n ARG 4 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2kw4 s THR 5 N -2.82 5.11 -0.30 8.89 -4.23 -1.26 -5.02 115.64 116.00 2kw4 s THR 5 Ca 0.47 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2kw4 s THR 5 Cb 0.37 -3.86 0.02 0.00 1.34 0.00 0.00 72.50 70.37 2kw4 s THR 5 CO 0.11 -0.55 1.02 -1.84 -0.54 0.00 0.00 174.62 172.83 2kw4 n GLU 6 N -1.75 0.04 0.00 3.99 0.28 -1.26 -4.97 120.64 116.96 2kw4 n GLU 6 Ca -0.05 -0.54 0.00 0.00 -0.16 0.00 0.00 57.16 56.41 2kw4 n GLU 6 Cb 0.56 -0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 2kw4 n GLU 6 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2kw4 n TYR 7 N -0.48 0.00 -3.65 -1.84 4.01 -1.26 -4.89 117.16 109.06 2kw4 n TYR 7 Ca -0.30 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.31 2kw4 n TYR 7 Cb 0.62 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.59 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 1.00 -0.28 -0.12 7.72 -1.08 -1.26 -4.15 116.67 118.49 2kw4 s ASP 8 Ca 0.00 -0.07 -0.07 0.00 -0.52 0.00 0.00 52.55 51.89 2kw4 s ASP 8 Cb 0.00 0.44 -0.04 0.00 -1.46 0.00 0.00 42.92 41.86 2kw4 s ASP 8 CO 0.00 -0.72 0.12 -0.69 0.52 0.00 0.00 175.17 174.40 2kw4 s VAL 9 N -2.83 5.37 -1.17 1.11 1.01 -1.26 -4.59 120.40 118.04 2kw4 s VAL 9 Ca -0.03 0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 2kw4 s VAL 9 Cb -0.00 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 2kw4 s VAL 9 CO -0.05 0.61 1.90 0.00 0.00 0.00 0.00 175.10 177.56 2kw4 n TYR 10 N 2.09 3.10 -4.76 5.22 9.36 -1.26 -4.86 117.16 126.05 2kw4 n TYR 10 Ca -0.20 -1.89 -0.33 0.00 3.32 0.00 0.00 57.90 58.81 2kw4 n TYR 10 Cb 0.55 -2.50 -0.08 0.00 -0.63 0.00 0.00 39.34 36.68 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 8.37 1.16 -0.25 2.97 -4.23 -1.26 -3.11 115.64 119.29 2kw4 s THR 11 Ca 0.63 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.13 2kw4 s THR 11 Cb 0.03 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.71 2kw4 s THR 11 CO 0.11 0.00 0.02 0.47 -0.54 0.00 0.00 174.62 174.68 2kw4 n ASP 12 N -1.26 -6.52 0.00 3.99 8.00 -1.25 -4.83 116.55 114.67 2kw4 n ASP 12 Ca -0.19 1.20 0.00 0.00 0.71 0.00 0.00 54.79 56.50 2kw4 n ASP 12 Cb 0.67 -4.62 0.00 0.00 -0.02 0.00 0.00 41.12 37.15 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 0.65 1.41 0.13 0.44 0.00 -1.26 -4.74 105.19 101.83 2kw4 n GLY 13 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2kw4 n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kw4 n SER 14 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.00 113.62 112.37 2kw4 n SER 14 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kw4 n SER 14 Cb 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2kw4 n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kw4 n TYR 15 N -1.04 0.00 -3.57 7.33 0.18 -1.26 -4.41 117.16 114.38 2kw4 n TYR 15 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 2kw4 n TYR 15 Cb 0.00 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 38.80 2kw4 n TYR 15 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2kw4 s VAL 16 N -2.00 -0.17 0.00 -3.48 0.11 -0.92 -4.84 120.40 109.10 2kw4 s VAL 16 Ca 0.00 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2kw4 s VAL 16 Cb 0.00 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 2kw4 s VAL 16 CO 0.00 -0.26 0.00 -3.20 -3.33 0.00 0.00 175.10 168.31 2kw4 n ASN 17 N 5.29 0.00 -0.53 3.54 2.85 -1.26 -2.02 115.26 123.14 2kw4 n ASN 17 Ca -0.06 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.40 2kw4 n ASN 17 Cb 0.49 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.51 2kw4 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kw4 n GLY 18 N 0.00 0.94 2.26 8.20 0.00 -1.26 -5.14 105.19 110.18 2kw4 n GLY 18 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.86 -4.59 1.61 6.02 -0.86 -5.15 117.38 115.28 2kw4 n GLN 19 Ca -0.01 -2.31 -0.34 0.00 -0.01 0.00 0.00 57.00 54.33 2kw4 n GLN 19 Cb 0.53 1.04 -0.12 0.00 1.02 0.00 0.00 30.24 32.71 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 -2.44 2.93 0.42 1.08 1.13 -1.26 -2.16 117.35 117.06 2kw4 s TYR 20 Ca 0.09 -0.23 0.05 0.00 -1.41 0.00 0.00 57.07 55.58 2kw4 s TYR 20 Cb 0.00 -1.82 -0.06 0.00 -1.10 0.00 0.00 41.96 38.98 2kw4 s TYR 20 CO 0.07 0.09 0.02 0.00 -2.51 0.00 0.00 175.55 173.21 2kw4 s ALA 21 N -0.16 3.28 -0.22 9.51 0.00 -1.26 -2.61 121.76 130.29 2kw4 s ALA 21 Ca 0.02 -1.86 -0.13 0.00 0.00 0.00 0.00 51.96 49.99 2kw4 s ALA 21 Cb -0.13 0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.26 2kw4 s ALA 21 CO 0.03 -0.12 0.55 1.67 0.00 0.00 0.00 175.76 177.88 2kw4 s TRP 22 N -2.81 -0.82 0.38 0.00 1.48 0.08 -4.48 118.94 112.77 2kw4 s TRP 22 Ca 0.29 1.70 0.04 0.00 -1.06 0.00 0.00 56.10 57.06 2kw4 s TRP 22 Cb 0.08 0.44 -0.03 0.00 -1.16 0.00 0.00 33.47 32.79 2kw4 s TRP 22 CO 0.15 -0.43 0.11 0.00 -4.06 0.00 0.00 176.95 172.72 2kw4 s ALA 23 N 1.46 2.73 0.29 2.67 0.00 -1.26 -2.05 121.76 125.59 2kw4 s ALA 23 Ca -0.09 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.23 2kw4 s ALA 23 Cb -0.07 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.82 2kw4 s ALA 23 CO -0.15 -0.34 0.68 1.52 0.00 0.00 0.00 175.76 177.47 2kw4 s TYR 24 N -3.26 -0.03 -0.15 0.00 -0.85 -1.18 -3.90 117.35 107.98 2kw4 s TYR 24 Ca 0.27 -0.44 0.00 0.00 -0.52 0.00 0.00 57.07 56.39 2kw4 s TYR 24 Cb 0.04 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 43.00 2kw4 s TYR 24 CO 0.15 -1.24 -0.15 0.00 -1.52 0.00 0.00 175.55 172.79 2kw4 s ALA 25 N -3.72 2.51 -0.07 9.51 0.00 -1.23 -4.49 121.76 124.28 2kw4 s ALA 25 Ca 0.14 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2kw4 s ALA 25 Cb -0.05 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 2kw4 s ALA 25 CO 0.08 0.06 -0.06 -0.06 0.00 0.00 0.00 175.76 175.78 2kw4 s PHE 26 N 0.66 2.96 -0.07 0.00 0.40 -1.26 -4.79 117.98 115.88 2kw4 s PHE 26 Ca -0.08 0.04 -0.04 0.00 -0.60 0.00 0.00 56.93 56.26 2kw4 s PHE 26 Cb -0.16 -1.72 0.04 0.00 0.51 0.00 0.00 43.02 41.69 2kw4 s PHE 26 CO 0.02 0.35 0.16 0.08 0.70 0.00 0.00 175.22 176.53 2kw4 s VAL 27 N -0.81 -0.04 -0.06 -0.44 1.01 -1.26 -2.81 120.40 115.99 2kw4 s VAL 27 Ca 0.12 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.27 2kw4 s VAL 27 Cb -0.11 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.01 2kw4 s VAL 27 CO 0.01 0.06 -0.14 -0.54 0.00 0.00 0.00 175.10 174.49 2kw4 s LYS 28 N 0.97 1.74 -0.26 2.72 -0.14 0.10 -4.69 119.74 120.18 2kw4 s LYS 28 Ca -0.07 -0.50 0.00 0.00 -1.36 0.00 0.00 55.97 54.03 2kw4 s LYS 28 Cb -0.09 -1.46 0.00 0.00 -1.68 0.00 0.00 37.83 34.60 2kw4 s LYS 28 CO -0.05 0.12 0.00 -3.47 -0.76 0.00 0.00 175.35 171.19 2kw4 n ASP 29 N 3.49 -4.81 0.00 2.83 -0.08 0.88 -2.08 116.55 116.78 2kw4 n ASP 29 Ca -0.20 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 2kw4 n ASP 29 Cb 0.53 -2.52 0.00 0.00 2.34 0.00 0.00 41.12 41.46 2kw4 n ASP 29 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kw4 n GLY 30 N -0.68 1.04 3.31 0.27 0.00 -1.25 -4.73 105.19 103.15 2kw4 n GLY 30 Ca -0.02 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.82 1.06 0.05 1.61 -2.85 -0.89 -4.82 119.74 112.08 2kw4 s LYS 31 Ca 0.00 -0.97 -0.30 0.00 -1.00 0.00 0.00 55.97 53.69 2kw4 s LYS 31 Cb 0.00 0.40 -0.09 0.00 -2.06 0.00 0.00 37.83 36.08 2kw4 s LYS 31 CO 0.00 -0.39 1.93 0.08 0.10 0.00 0.00 175.35 177.08 2kw4 s VAL 32 N -3.89 2.96 -0.17 1.79 1.01 -1.26 0.01 120.40 120.85 2kw4 s VAL 32 Ca 0.09 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2kw4 s VAL 32 Cb 0.03 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.30 2kw4 s VAL 32 CO -0.06 -0.00 -0.21 1.57 0.00 0.00 0.00 175.10 176.39 2kw4 n HIS 33 N 7.21 0.00 -4.51 5.22 -0.00 -1.12 -4.79 115.22 117.23 2kw4 n HIS 33 Ca 0.19 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.12 2kw4 n HIS 33 Cb 0.41 -0.61 -0.08 0.00 -0.12 0.00 0.00 29.99 29.58 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 -2.31 1.79 -0.30 1.57 2.02 -1.25 -5.03 117.35 113.84 2kw4 s TYR 34 Ca -0.24 -1.27 -0.19 0.00 -0.37 0.00 0.00 57.07 55.01 2kw4 s TYR 34 Cb 0.09 -1.16 0.17 0.00 -0.40 0.00 0.00 41.96 40.66 2kw4 s TYR 34 CO 0.31 -0.29 1.26 -2.00 -1.57 0.00 0.00 175.55 173.26 2kw4 s GLU 35 N -3.72 0.02 0.07 -0.62 2.12 -1.26 -4.08 118.70 111.22 2kw4 s GLU 35 Ca 0.25 0.03 -0.17 0.00 0.36 0.00 0.00 54.97 55.44 2kw4 s GLU 35 Cb 0.03 0.02 0.06 0.00 0.26 0.00 0.00 34.13 34.50 2kw4 s GLU 35 CO 0.15 -0.02 0.80 -0.25 -0.54 0.00 0.00 175.26 175.40 2kw4 n ASP 36 N 5.35 -1.05 -3.66 -1.70 9.92 -1.26 -5.13 116.55 119.02 2kw4 n ASP 36 Ca -0.09 -1.43 -0.09 0.00 -0.53 0.00 0.00 54.79 52.64 2kw4 n ASP 36 Cb 0.55 1.68 -0.03 0.00 -0.64 0.00 0.00 41.12 42.69 2kw4 n ASP 36 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kw4 s ALA 37 N -1.72 -0.55 0.23 2.24 0.00 -1.26 -3.87 121.76 116.84 2kw4 s ALA 37 Ca 0.18 -0.74 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 2kw4 s ALA 37 Cb -0.01 0.93 0.01 0.00 0.00 0.00 0.00 23.12 24.04 2kw4 s ALA 37 CO 0.02 -0.94 0.52 -0.51 0.00 0.00 0.00 175.76 174.86 2kw4 s ASP 38 N -3.02 -0.16 0.23 0.00 1.11 -0.87 -5.02 116.67 108.94 2kw4 s ASP 38 Ca 0.18 -0.75 0.11 0.00 0.18 0.00 0.00 52.55 52.27 2kw4 s ASP 38 Cb -0.03 0.60 -0.05 0.00 1.07 0.00 0.00 42.92 44.51 2kw4 s ASP 38 CO 0.10 -1.14 -0.18 0.68 1.18 0.00 0.00 175.17 175.81 2kw4 s VAL 39 N -3.96 2.62 0.12 -1.27 -7.23 -1.26 -0.74 120.40 108.68 2kw4 s VAL 39 Ca 0.17 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 2kw4 s VAL 39 Cb -0.01 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2kw4 s VAL 39 CO 0.05 -0.24 -0.07 -0.83 -0.31 0.00 0.00 175.10 173.70 2kw4 s GLY 40 N -3.10 1.80 -0.34 2.32 0.00 -1.07 -4.99 107.32 101.94 2kw4 s GLY 40 Ca 0.26 -1.27 0.14 0.00 0.00 0.00 0.00 44.72 43.85 2kw4 s GLY 40 CO 0.13 -1.26 1.04 0.58 0.00 0.00 0.00 173.10 173.60 2kw4 n LYS 41 N 0.48 2.08 -3.51 2.90 0.00 -1.26 -4.62 118.16 114.23 2kw4 n LYS 41 Ca -0.12 -3.72 -0.26 0.00 -0.00 0.00 0.00 58.31 54.21 2kw4 n LYS 41 Cb 0.53 -1.67 -0.02 0.00 -0.00 0.00 0.00 35.03 33.87 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 -3.39 6.37 0.10 -5.58 -0.87 -1.26 -4.96 114.94 105.35 2kw4 s ASN 42 Ca 0.35 0.49 -0.15 0.00 -1.57 0.00 0.00 52.86 51.98 2kw4 s ASN 42 Cb 0.42 -2.05 -0.09 0.00 -0.02 0.00 0.00 41.25 39.51 2kw4 s ASN 42 CO -0.04 -0.16 1.42 1.55 -2.57 0.00 0.00 177.10 177.30 2kw4 h PRO 43 N 1.50 0.69 -0.00 -0.60 0.13 -1.98 0.82 132.00 132.57 2kw4 h PRO 43 Ca -0.49 -0.37 -0.18 0.00 -0.87 0.00 0.00 66.00 64.10 2kw4 h PRO 43 Cb 1.20 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2kw4 h PRO 43 CO 0.65 0.98 -0.82 0.00 -0.23 0.00 0.00 178.00 178.58 2kw4 h ALA 44 N 0.70 0.62 0.04 -0.56 0.00 -2.00 -3.01 119.26 115.04 2kw4 h ALA 44 Ca 0.04 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 2kw4 h ALA 44 Cb 0.85 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kw4 h ALA 44 CO 0.07 0.93 -0.02 0.00 0.00 0.00 0.00 179.25 180.23 2kw4 h ALA 45 N 1.09 -0.05 -1.00 0.00 0.00 -1.91 -3.26 119.26 114.12 2kw4 h ALA 45 Ca -0.03 -0.34 0.18 0.00 0.00 0.00 0.00 54.91 54.72 2kw4 h ALA 45 Cb 1.43 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 2kw4 h ALA 45 CO 0.12 -0.11 0.62 0.00 0.00 0.00 0.00 179.25 179.87 2kw4 h ALA 46 N -0.08 1.66 -0.86 0.00 0.00 -0.94 -0.05 119.26 118.99 2kw4 h ALA 46 Ca -0.00 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2kw4 h ALA 46 Cb 0.70 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2kw4 h ALA 46 CO 0.01 -0.00 0.53 1.79 0.00 0.00 0.00 179.25 181.57 2kw4 h THR 47 N 0.80 1.02 -2.25 0.00 1.35 -1.61 -3.04 112.91 109.18 2kw4 h THR 47 Ca 0.56 -0.33 -0.61 0.00 -0.55 0.00 0.00 66.41 65.49 2kw4 h THR 47 Cb 0.82 -0.01 -0.41 0.00 -1.73 0.00 0.00 68.15 66.82 2kw4 h THR 47 CO -0.35 0.17 -0.52 0.23 -0.25 0.00 0.00 175.52 174.81 2kw4 n MET 48 N -4.63 3.42 -0.78 4.72 2.81 -0.10 -5.08 117.12 117.47 2kw4 n MET 48 Ca 0.13 -4.83 -0.33 0.00 -1.81 0.00 0.00 57.70 50.85 2kw4 n MET 48 Cb 0.19 -2.26 0.13 0.00 -0.71 0.00 0.00 33.22 30.57 2kw4 n MET 48 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2kw4 n ARG 49 N -0.25 -0.49 0.00 0.03 1.85 -0.80 -1.91 116.66 115.09 2kw4 n ARG 49 Ca 0.33 -0.11 0.00 0.00 -1.00 0.00 0.00 57.85 57.07 2kw4 n ARG 49 Cb 0.39 -1.80 0.00 0.00 -1.05 0.00 0.00 32.46 30.00 2kw4 n ARG 49 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2kw4 n ASN 50 N -1.22 0.00 -0.20 2.89 5.15 -1.26 -4.26 115.26 116.37 2kw4 n ASN 50 Ca 0.05 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.04 2kw4 n ASN 50 Cb 0.55 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.91 2kw4 n ASN 50 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2kw4 h VAL 51 N 0.00 0.67 0.00 3.44 2.07 -1.93 0.05 116.25 120.56 2kw4 h VAL 51 Ca 0.00 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 2kw4 h VAL 51 Cb 0.00 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2kw4 h VAL 51 CO 0.00 0.06 -0.58 0.00 0.02 0.00 0.00 177.57 177.07 2kw4 h ALA 52 N 1.47 0.78 0.12 1.67 0.00 -1.56 -3.25 119.26 118.48 2kw4 h ALA 52 Ca 0.32 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2kw4 h ALA 52 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kw4 h ALA 52 CO -0.38 0.72 -0.06 0.78 0.00 0.00 0.00 179.25 180.32 2kw4 h GLY 53 N 2.60 -0.16 0.47 0.00 0.00 -1.30 0.17 103.07 104.85 2kw4 h GLY 53 Ca -0.01 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.48 2kw4 h GLY 53 CO 0.07 -0.06 0.42 1.05 0.00 0.00 0.00 176.54 178.02 2kw4 h GLU 54 N -0.46 0.67 -0.03 4.80 4.11 -1.20 -1.00 114.58 121.47 2kw4 h GLU 54 Ca -0.02 -0.04 -0.17 0.00 0.07 0.00 0.00 59.36 59.21 2kw4 h GLU 54 Cb 0.38 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2kw4 h GLU 54 CO 0.03 0.45 -0.72 0.82 0.07 0.00 0.00 179.01 179.65 2kw4 h ILE 55 N 0.69 1.44 -0.59 -1.06 2.04 -1.57 -3.22 117.51 115.24 2kw4 h ILE 55 Ca 0.38 -2.27 0.01 0.00 1.00 0.00 0.00 64.86 63.98 2kw4 h ILE 55 Cb 0.39 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 2kw4 h ILE 55 CO -0.27 0.67 0.38 0.00 0.00 0.00 0.00 178.15 178.93 2kw4 h ALA 56 N 1.12 0.75 -0.53 1.87 0.00 0.64 -2.65 119.26 120.46 2kw4 h ALA 56 Ca -0.02 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2kw4 h ALA 56 Cb 1.28 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 2kw4 h ALA 56 CO 0.11 0.14 0.11 0.00 0.00 0.00 0.00 179.25 179.61 2kw4 h ALA 57 N 1.23 0.61 -0.95 0.00 0.00 -1.37 -0.93 119.26 117.85 2kw4 h ALA 57 Ca 0.23 0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.40 2kw4 h ALA 57 Cb -0.04 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 2kw4 h ALA 57 CO -0.07 -0.30 0.56 0.00 0.00 0.00 0.00 179.25 179.44 2kw4 h ALA 58 N 1.42 1.49 0.21 0.00 0.00 -1.56 0.31 119.26 121.13 2kw4 h ALA 58 Ca 0.27 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2kw4 h ALA 58 Cb 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kw4 h ALA 58 CO -0.35 0.03 -0.15 -0.07 0.00 0.00 0.00 179.25 178.71 2kw4 h LEU 59 N 0.79 -0.39 -1.39 0.00 3.38 -1.09 -0.72 115.31 115.89 2kw4 h LEU 59 Ca 0.52 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.58 2kw4 h LEU 59 Cb 0.69 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2kw4 h LEU 59 CO -0.34 -0.22 0.48 1.88 0.09 0.00 0.00 178.44 180.33 2kw4 h TYR 60 N -0.34 0.75 -0.89 1.13 0.05 -1.34 -1.08 116.97 115.25 2kw4 h TYR 60 Ca -0.03 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.81 2kw4 h TYR 60 Cb 0.28 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.72 2kw4 h TYR 60 CO -0.01 0.39 0.58 0.00 -1.05 0.00 0.00 178.16 178.07 2kw4 h ALA 61 N 1.61 1.46 0.01 3.88 0.00 -0.19 -1.78 119.26 124.24 2kw4 h ALA 61 Ca 0.31 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2kw4 h ALA 61 Cb 0.29 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kw4 h ALA 61 CO -0.11 0.45 -0.51 0.28 0.00 0.00 0.00 179.25 179.37 2kw4 h VAL 62 N 1.09 1.47 -0.65 0.00 2.07 0.07 -1.73 116.25 118.58 2kw4 h VAL 62 Ca 0.36 -2.07 0.12 0.00 0.82 0.00 0.00 66.70 65.93 2kw4 h VAL 62 Cb 0.05 2.69 -0.09 0.00 -1.52 0.00 0.00 31.29 32.43 2kw4 h VAL 62 CO -0.11 0.59 0.19 0.11 0.02 0.00 0.00 177.57 178.37 2kw4 h LYS 63 N -0.24 0.32 0.00 1.57 1.57 -1.00 -0.72 116.57 118.06 2kw4 h LYS 63 Ca -0.07 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.51 2kw4 h LYS 63 Cb 1.24 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 2kw4 h LYS 63 CO 0.10 0.21 -0.85 0.87 -0.57 0.00 0.00 179.45 179.21 2kw4 h LYS 64 N 0.33 0.10 -0.93 3.15 1.57 -1.41 -3.20 116.57 116.17 2kw4 h LYS 64 Ca 0.34 -0.11 0.25 0.00 -1.87 0.00 0.00 60.65 59.27 2kw4 h LYS 64 Cb 0.51 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 2kw4 h LYS 64 CO -0.39 0.89 0.65 0.00 -0.57 0.00 0.00 179.45 180.03 2kw4 h ALA 65 N 1.07 2.66 0.01 3.86 0.00 -0.17 0.32 119.26 127.02 2kw4 h ALA 65 Ca -0.03 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 2kw4 h ALA 65 Cb 1.48 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2kw4 h ALA 65 CO 0.12 -0.95 -0.92 1.03 0.00 0.00 0.00 179.25 178.53 2kw4 h SER 66 N 0.13 0.35 -0.72 0.00 0.87 -1.50 -2.13 113.55 110.55 2kw4 h SER 66 Ca 0.46 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 2kw4 h SER 66 Cb 1.61 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.44 2kw4 h SER 66 CO -0.07 1.10 0.23 1.56 -0.53 0.00 0.00 176.83 179.11 2kw4 h GLN 67 N 0.14 1.11 -0.04 2.24 4.20 -0.49 -1.82 115.11 120.46 2kw4 h GLN 67 Ca -0.06 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2kw4 h GLN 67 Cb 1.56 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.18 2kw4 h GLN 67 CO 0.15 0.95 0.00 1.28 -0.67 0.00 0.00 178.83 180.54 2kw4 n LEU 68 N -4.29 0.62 -1.66 1.46 4.32 -0.88 -4.88 117.00 111.69 2kw4 n LEU 68 Ca 0.06 -0.24 -0.18 0.00 -0.02 0.00 0.00 56.01 55.63 2kw4 n LEU 68 Cb 0.22 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 41.93 2kw4 n LEU 68 CO 0.41 0.12 -0.18 0.61 -1.22 0.00 0.00 177.39 177.13 2kw4 n GLY 69 N 0.98 1.33 3.60 -0.72 0.00 -0.68 -4.55 105.19 105.15 2kw4 n GLY 69 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.42 0.00 -4.26 1.61 0.24 -0.82 -4.65 118.33 108.03 2kw4 n VAL 70 Ca -0.18 -2.13 -0.17 0.00 -2.04 0.00 0.00 64.34 59.82 2kw4 n VAL 70 Cb 0.59 0.06 -0.11 0.00 -1.47 0.00 0.00 33.84 32.92 2kw4 n VAL 70 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2kw4 s LYS 71 N -4.07 1.08 0.59 7.34 3.01 -1.26 -4.44 119.74 121.99 2kw4 s LYS 71 Ca 0.23 -1.37 0.09 0.00 -1.01 0.00 0.00 55.97 53.92 2kw4 s LYS 71 Cb -0.02 -0.82 0.09 0.00 -1.01 0.00 0.00 37.83 36.07 2kw4 s LYS 71 CO 0.15 0.14 0.82 0.96 0.51 0.00 0.00 175.35 177.92 2kw4 s ILE 72 N -2.71 2.09 -0.23 2.17 -4.36 -1.25 -4.99 121.20 111.92 2kw4 s ILE 72 Ca 0.14 -0.98 -0.11 0.00 -0.26 0.00 0.00 60.65 59.44 2kw4 s ILE 72 Cb -0.01 -2.11 -0.05 0.00 1.25 0.00 0.00 42.46 41.54 2kw4 s ILE 72 CO 0.03 0.00 0.18 -0.13 0.24 0.00 0.00 174.94 175.26 2kw4 s ARG 73 N -4.71 4.11 0.00 0.37 1.81 -1.26 -4.88 118.95 114.38 2kw4 s ARG 73 Ca 0.63 -0.20 0.00 0.00 -1.72 0.00 0.00 55.73 54.43 2kw4 s ARG 73 Cb -0.05 -3.52 0.00 0.00 -0.45 0.00 0.00 34.95 30.93 2kw4 s ARG 73 CO 0.40 0.10 0.00 0.44 -0.68 0.00 0.00 175.30 175.55 2kw4 n ILE 74 N 4.14 0.00 0.00 1.52 -6.64 -1.26 -4.61 119.36 112.50 2kw4 n ILE 74 Ca -0.14 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.84 2kw4 n ILE 74 Cb 0.52 -0.03 0.00 0.00 -1.44 0.00 0.00 39.64 38.69 2kw4 n ILE 74 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 2kw4 n LEU 75 N -1.15 0.00 -2.29 7.28 7.99 -1.26 -2.47 117.00 125.10 2kw4 n LEU 75 Ca 0.00 0.76 -0.26 0.00 -0.01 0.00 0.00 56.01 56.50 2kw4 n LEU 75 Cb 0.02 -0.26 0.01 0.00 -0.11 0.00 0.00 43.42 43.08 2kw4 n LEU 75 CO 0.00 -0.26 1.43 1.41 -1.51 0.00 0.00 177.39 178.46 2kw4 n HIS 76 N -1.71 1.98 -0.09 -1.77 8.25 -1.26 -4.43 115.22 116.19 2kw4 n HIS 76 Ca 0.00 -2.17 -0.12 0.00 -0.26 0.00 0.00 57.72 55.17 2kw4 n HIS 76 Cb 0.00 -1.22 -0.06 0.00 1.12 0.00 0.00 29.99 29.83 2kw4 n HIS 76 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2kw4 n ASP 77 N 0.25 1.84 -1.78 0.41 2.03 -1.03 -4.79 116.55 113.48 2kw4 n ASP 77 Ca 0.45 0.53 -0.19 0.00 0.52 0.00 0.00 54.79 56.09 2kw4 n ASP 77 Cb 0.54 -0.90 -0.06 0.00 -0.72 0.00 0.00 41.12 39.99 2kw4 n ASP 77 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kw4 n TYR 78 N -4.52 -0.34 -1.14 -0.67 4.02 -1.26 -4.95 117.16 108.30 2kw4 n TYR 78 Ca -0.19 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.41 2kw4 n TYR 78 Cb 0.46 -3.42 0.21 0.00 -0.02 0.00 0.00 39.34 36.57 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kw4 s ALA 79 N -2.72 0.78 0.61 -0.72 0.00 -1.26 -4.67 121.76 113.78 2kw4 s ALA 79 Ca 0.00 -0.70 0.30 0.00 0.00 0.00 0.00 51.96 51.56 2kw4 s ALA 79 Cb 0.00 -2.98 1.66 0.00 0.00 0.00 0.00 23.12 21.80 2kw4 s ALA 79 CO 0.00 -3.24 2.02 0.78 0.00 0.00 0.00 175.76 175.32 2kw4 h GLY 80 N -2.26 0.00 0.69 0.00 0.00 -1.77 -1.04 103.07 98.69 2kw4 h GLY 80 Ca -0.50 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 2kw4 h GLY 80 CO 0.45 0.00 -0.21 -2.22 0.00 0.00 0.00 176.54 174.56 2kw4 h ILE 81 N 0.00 1.39 0.00 2.60 5.03 -1.90 -3.18 117.51 121.46 2kw4 h ILE 81 Ca 0.09 -1.51 -0.08 0.00 -0.12 0.00 0.00 64.86 63.24 2kw4 h ILE 81 Cb 0.68 2.13 -0.01 0.00 -3.03 0.00 0.00 36.82 36.60 2kw4 h ILE 81 CO -0.00 0.44 -0.36 0.00 -0.68 0.00 0.00 178.15 177.54 2kw4 h ALA 82 N 0.51 1.01 0.41 1.87 0.00 -1.56 -1.53 119.26 119.97 2kw4 h ALA 82 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2kw4 h ALA 82 Cb 0.81 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2kw4 h ALA 82 CO 0.05 0.45 -0.35 0.35 0.00 0.00 0.00 179.25 179.75 2kw4 h PHE 83 N 0.00 -0.93 0.00 0.00 3.57 -1.24 -2.72 116.94 115.62 2kw4 h PHE 83 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kw4 h PHE 83 Cb 0.87 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.96 2kw4 h PHE 83 CO 0.00 -0.50 -0.17 0.11 -2.23 0.00 0.00 178.31 175.52 2kw4 h TRP 84 N -0.76 0.00 -0.25 0.41 0.09 -1.59 -3.27 115.95 110.58 2kw4 h TRP 84 Ca -0.03 0.00 0.07 0.00 0.09 0.00 0.00 58.89 59.02 2kw4 h TRP 84 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.89 2kw4 h TRP 84 CO -0.17 0.00 0.35 0.00 0.09 0.00 0.00 178.44 178.71 2kw4 h ALA 85 N 2.22 1.82 0.00 0.11 0.00 -0.94 0.25 119.26 122.73 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 0.89 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kw4 h ALA 85 CO 0.00 -0.48 0.00 1.79 0.00 0.00 0.00 179.25 180.56 2kw4 h THR 86 N 0.00 0.00 -3.89 0.00 1.35 -1.61 -2.70 112.91 106.07 2kw4 h THR 86 Ca 0.12 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2kw4 h THR 86 Cb 0.81 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2kw4 h THR 86 CO -0.00 0.00 -0.35 0.61 -0.25 0.00 0.00 175.52 175.53 2kw4 n GLY 87 N -0.62 -2.71 0.13 5.82 0.00 0.88 -4.87 105.19 103.83 2kw4 n GLY 87 Ca -0.01 0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2kw4 n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kw4 n GLU 88 N 0.08 0.58 -3.64 1.61 1.02 -1.26 -5.05 120.64 113.98 2kw4 n GLU 88 Ca 0.01 0.26 -0.05 0.00 -0.02 0.00 0.00 57.16 57.36 2kw4 n GLU 88 Cb 0.06 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.92 2kw4 n GLU 88 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2kw4 s TRP 89 N -2.55 -0.19 -0.90 -0.32 -0.00 -1.26 -5.08 118.94 108.63 2kw4 s TRP 89 Ca -0.38 0.47 -0.25 0.00 -0.00 0.00 0.00 56.10 55.95 2kw4 s TRP 89 Cb 0.14 0.44 -0.08 0.00 -0.00 0.00 0.00 33.47 33.97 2kw4 s TRP 89 CO 0.48 -0.09 2.08 -1.59 -0.00 0.00 0.00 176.95 177.83 2kw4 s LYS 90 N 0.09 2.24 -0.10 5.86 -2.85 -1.25 -4.58 119.74 119.15 2kw4 s LYS 90 Ca 0.06 -0.15 -0.27 0.00 -1.00 0.00 0.00 55.97 54.61 2kw4 s LYS 90 Cb -0.05 -5.00 -0.25 0.00 -2.06 0.00 0.00 37.83 30.47 2kw4 s LYS 90 CO -0.13 -3.79 0.91 0.00 0.10 0.00 0.00 175.35 172.44 2kw4 h ALA 91 N 11.56 0.00 0.00 0.59 0.00 -1.83 -3.40 119.26 126.18 2kw4 h ALA 91 Ca 0.08 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2kw4 h ALA 91 Cb 1.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2kw4 h ALA 91 CO 1.15 0.01 -0.62 0.87 0.00 0.00 0.00 179.25 180.65 2kw4 h LYS 92 N -0.77 0.00 -6.04 0.00 1.79 -1.86 -3.50 116.57 106.20 2kw4 h LYS 92 Ca -0.02 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.15 2kw4 h LYS 92 Cb 0.97 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.67 2kw4 h LYS 92 CO 0.02 0.51 -0.69 -1.71 -1.08 0.00 0.00 179.45 176.50 2kw4 n ASN 93 N -4.58 -6.06 0.00 0.86 2.85 -1.26 -4.87 115.26 102.20 2kw4 n ASN 93 Ca -0.15 -0.70 0.00 0.00 -0.11 0.00 0.00 54.58 53.61 2kw4 n ASN 93 Cb 0.40 -3.68 0.00 0.00 1.24 0.00 0.00 39.78 37.74 2kw4 n ASN 93 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2kw4 n GLU 94 N -3.03 0.00 -0.11 1.20 1.02 -1.26 -5.00 120.64 113.46 2kw4 n GLU 94 Ca -0.12 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.89 2kw4 n GLU 94 Cb 0.59 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.88 2kw4 n GLU 94 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kw4 n PHE 95 N -1.77 0.00 -0.20 -0.32 7.35 -1.26 -4.41 117.46 116.84 2kw4 n PHE 95 Ca 0.00 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.85 2kw4 n PHE 95 Cb 0.00 -0.92 0.49 0.00 0.35 0.00 0.00 39.48 39.40 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 0.00 0.76 -0.60 -2.13 2.02 -1.94 -0.31 112.91 110.70 2kw4 h THR 96 Ca -0.52 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 2kw4 h THR 96 Cb 1.97 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 2kw4 h THR 96 CO -0.04 0.08 0.11 1.56 0.37 0.00 0.00 175.52 177.61 2kw4 h GLN 97 N 0.45 0.99 -0.99 6.66 4.20 -1.77 -2.67 115.11 121.97 2kw4 h GLN 97 Ca 0.41 -0.26 0.26 0.00 0.06 0.00 0.00 58.65 59.13 2kw4 h GLN 97 Cb 0.93 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.53 2kw4 h GLN 97 CO -0.15 0.92 0.68 0.00 -0.67 0.00 0.00 178.83 179.62 2kw4 h ALA 98 N 1.02 2.58 -0.02 3.87 0.00 -1.26 -1.25 119.26 124.21 2kw4 h ALA 98 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2kw4 h ALA 98 Cb 0.40 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2kw4 h ALA 98 CO 0.01 -0.90 -0.28 -0.92 0.00 0.00 0.00 179.25 177.16 2kw4 h TYR 99 N 0.20 -0.76 -0.58 0.00 3.20 -1.48 0.51 116.97 118.07 2kw4 h TYR 99 Ca 0.51 0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.56 2kw4 h TYR 99 Cb 1.64 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 40.22 2kw4 h TYR 99 CO -0.00 -0.37 0.41 0.00 -1.64 0.00 0.00 178.16 176.56 2kw4 h ALA 100 N 0.39 2.47 -0.04 1.82 0.00 -1.37 -0.04 119.26 122.50 2kw4 h ALA 100 Ca 0.07 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2kw4 h ALA 100 Cb 0.51 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2kw4 h ALA 100 CO -0.25 -0.64 -0.41 0.87 0.00 0.00 0.00 179.25 178.83 2kw4 h LYS 101 N 0.05 0.34 0.00 0.00 1.79 -1.04 -3.18 116.57 114.52 2kw4 h LYS 101 Ca 0.28 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 2kw4 h LYS 101 Cb 1.03 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.75 2kw4 h LYS 101 CO -0.02 0.98 -0.09 -0.07 -1.08 0.00 0.00 179.45 179.18 2kw4 h LEU 102 N -0.19 0.00 0.16 2.94 3.38 0.22 -3.15 115.31 118.67 2kw4 h LEU 102 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2kw4 h LEU 102 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2kw4 h LEU 102 CO 0.08 0.09 -0.15 -0.03 0.09 0.00 0.00 178.44 178.52 2kw4 h MET 103 N 0.00 -0.30 -0.44 1.13 4.05 -1.03 -2.38 114.93 115.96 2kw4 h MET 103 Ca -0.00 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.56 2kw4 h MET 103 Cb 0.41 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 2kw4 h MET 103 CO 0.01 -0.20 0.31 -0.97 0.23 0.00 0.00 176.91 176.29 2kw4 h ASN 104 N -0.31 0.03 -0.74 1.39 -1.24 -1.67 0.38 115.58 113.42 2kw4 h ASN 104 Ca -0.02 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.10 2kw4 h ASN 104 Cb 0.27 -0.01 -0.08 0.00 0.73 0.00 0.00 38.32 39.23 2kw4 h ASN 104 CO -0.01 0.02 0.35 -0.61 -1.29 0.00 0.00 177.43 175.89 2kw4 h GLN 105 N 0.04 0.54 -0.40 6.67 -0.00 -1.40 -3.01 115.11 117.55 2kw4 h GLN 105 Ca 0.21 -0.03 -0.30 0.00 -0.00 0.00 0.00 58.65 58.53 2kw4 h GLN 105 Cb 0.78 -0.12 -0.35 0.00 0.00 0.00 0.00 27.48 27.79 2kw4 h GLN 105 CO -0.01 0.36 -0.91 2.48 0.00 0.00 0.00 178.83 180.75 2kw4 n TYR 106 N -4.90 1.37 -1.67 3.99 0.18 -0.54 -5.09 117.16 110.50 2kw4 n TYR 106 Ca 0.13 -1.81 -0.30 0.00 1.88 0.00 0.00 57.90 57.80 2kw4 n TYR 106 Cb 0.33 -0.26 0.06 0.00 -0.38 0.00 0.00 39.34 39.09 2kw4 n TYR 106 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 2kw4 s ARG 107 N -3.04 2.68 0.00 -3.48 1.04 0.12 -4.48 118.95 111.80 2kw4 s ARG 107 Ca 0.38 0.70 0.00 0.00 -1.04 0.00 0.00 55.73 55.77 2kw4 s ARG 107 Cb 0.37 -1.98 0.00 0.00 -2.04 0.00 0.00 34.95 31.30 2kw4 s ARG 107 CO -0.04 -1.21 0.00 0.41 -0.04 0.00 0.00 175.30 174.42 2kw4 n GLY 108 N -2.35 3.46 0.12 3.88 0.00 -1.26 -4.87 105.19 104.18 2kw4 n GLY 108 Ca 0.07 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 2kw4 n GLY 108 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2kw4 h ILE 109 N 0.00 1.25 -2.44 -0.61 -2.65 -1.90 -3.46 117.51 107.69 2kw4 h ILE 109 Ca 0.00 -2.43 -0.56 0.00 1.03 0.00 0.00 64.86 62.89 2kw4 h ILE 109 Cb 0.00 2.40 -0.13 0.00 -2.05 0.00 0.00 36.82 37.04 2kw4 h ILE 109 CO 0.00 0.64 -0.52 -0.72 0.03 0.00 0.00 178.15 177.58 2kw4 s TYR 110 N -3.14 1.81 0.16 0.16 1.13 -1.26 -3.93 117.35 112.27 2kw4 s TYR 110 Ca 0.01 -1.23 -0.18 0.00 -1.41 0.00 0.00 57.07 54.26 2kw4 s TYR 110 Cb 0.10 -1.21 0.04 0.00 -1.10 0.00 0.00 41.96 39.79 2kw4 s TYR 110 CO 0.76 -0.23 0.48 -1.12 -2.51 0.00 0.00 175.55 172.93 2kw4 s SER 111 N -3.63 -0.30 0.08 -0.18 0.01 -1.26 -4.95 113.70 103.48 2kw4 s SER 111 Ca 0.23 -0.32 -0.27 0.00 1.31 0.00 0.00 55.95 56.90 2kw4 s SER 111 Cb 0.03 0.53 0.09 0.00 0.21 0.00 0.00 66.02 66.88 2kw4 s SER 111 CO 0.14 -0.95 1.10 -0.36 0.41 0.00 0.00 173.24 173.58 2kw4 s PHE 112 N -3.82 -0.08 1.12 2.43 0.08 -1.26 -4.73 117.98 111.72 2kw4 s PHE 112 Ca 0.05 -0.14 -0.15 0.00 0.12 0.00 0.00 56.93 56.81 2kw4 s PHE 112 Cb 0.00 0.60 0.25 0.00 -0.57 0.00 0.00 43.02 43.31 2kw4 s PHE 112 CO -0.09 -0.60 1.07 -2.00 -0.10 0.00 0.00 175.22 173.50 2kw4 s GLU 113 N -2.87 -0.58 -1.10 0.44 2.56 -1.26 -4.84 118.70 111.05 2kw4 s GLU 113 Ca 0.14 0.38 -0.23 0.00 0.00 0.00 0.00 54.97 55.26 2kw4 s GLU 113 Cb 0.01 -1.63 -0.07 0.00 2.00 0.00 0.00 34.13 34.44 2kw4 s GLU 113 CO -0.00 -3.38 1.93 0.21 -0.56 0.00 0.00 175.26 173.46 2kw4 s LYS 114 N -4.98 2.55 0.62 4.30 2.20 -1.04 -4.86 119.74 118.52 2kw4 s LYS 114 Ca 0.68 -0.91 -0.19 0.00 -0.36 0.00 0.00 55.97 55.19 2kw4 s LYS 114 Cb -0.17 -5.19 -0.02 0.00 -1.51 0.00 0.00 37.83 30.93 2kw4 s LYS 114 CO 0.59 -3.75 1.26 0.14 -0.36 0.00 0.00 175.35 173.23 2kw4 s VAL 115 N 10.57 2.28 0.00 4.02 -7.23 -1.06 -3.97 120.40 125.01 2kw4 s VAL 115 Ca 0.68 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 2kw4 s VAL 115 Cb -0.02 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.84 2kw4 s VAL 115 CO 0.09 -0.03 0.00 0.29 -0.31 0.00 0.00 175.10 175.13 2kw4 n LYS 116 N -1.71 0.00 0.00 4.82 4.76 -1.26 -4.84 118.16 119.93 2kw4 n LYS 116 Ca 0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2kw4 n LYS 116 Cb 0.48 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 2kw4 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kw4 n ALA 117 N -1.91 0.00 -3.62 7.82 0.00 -1.26 -3.82 120.51 117.72 2kw4 n ALA 117 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2kw4 n ALA 117 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2kw4 n ALA 117 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2kw4 s HIS 118 N 0.00 -0.12 -0.23 0.00 5.04 -1.26 -2.06 115.29 116.66 2kw4 s HIS 118 Ca 0.00 0.18 -0.37 0.00 -1.54 0.00 0.00 55.06 53.33 2kw4 s HIS 118 Cb 0.00 0.49 0.15 0.00 0.04 0.00 0.00 32.58 33.26 2kw4 s HIS 118 CO 0.00 -0.12 1.29 -1.12 -2.34 0.00 0.00 174.74 172.44 2kw4 s SER 119 N -1.30 -0.08 0.00 9.88 0.01 -1.26 -4.77 113.70 116.18 2kw4 s SER 119 Ca 0.07 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2kw4 s SER 119 Cb -0.01 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2kw4 s SER 119 CO -0.05 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2kw4 n GLY 120 N -0.06 0.69 3.90 3.44 0.00 -1.26 -5.02 105.19 106.88 2kw4 n GLY 120 Ca 0.03 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.84 2kw4 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kw4 s ASN 121 N 0.00 -0.00 0.00 1.61 2.20 -1.26 -5.00 114.94 112.49 2kw4 s ASN 121 Ca 0.00 -0.01 0.23 0.00 -0.94 0.00 0.00 52.86 52.14 2kw4 s ASN 121 Cb 0.00 0.01 0.56 0.00 -2.00 0.00 0.00 41.25 39.82 2kw4 s ASN 121 CO 0.00 -0.01 1.46 -1.84 -2.94 0.00 0.00 177.10 173.77 2kw4 n GLU 122 N -0.85 2.13 -0.10 3.55 0.28 -1.26 -4.30 120.64 120.08 2kw4 n GLU 122 Ca 0.02 -1.69 0.26 0.00 -0.16 0.00 0.00 57.16 55.59 2kw4 n GLU 122 Cb 0.60 -1.46 0.72 0.00 1.43 0.00 0.00 31.44 32.72 2kw4 n GLU 122 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 2kw4 h PHE 123 N 3.50 0.00 0.00 -1.84 0.04 -1.93 -1.11 116.94 115.62 2kw4 h PHE 123 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2kw4 h PHE 123 Cb 0.76 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.92 2kw4 h PHE 123 CO 0.14 0.00 -0.07 -2.95 -0.60 0.00 0.00 178.31 174.83 2kw4 h ASN 124 N 0.00 0.05 -0.29 2.17 -1.07 -1.86 -2.69 115.58 111.89 2kw4 h ASN 124 Ca 0.36 -0.85 0.09 0.00 0.07 0.00 0.00 56.30 55.96 2kw4 h ASN 124 Cb 1.47 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 37.69 2kw4 h ASN 124 CO -0.00 0.90 0.42 0.44 0.07 0.00 0.00 177.43 179.25 2kw4 h ASP 125 N -0.79 0.00 -0.71 6.14 5.19 -1.51 -0.04 116.42 124.71 2kw4 h ASP 125 Ca -0.01 0.00 0.21 0.00 -0.62 0.00 0.00 57.03 56.61 2kw4 h ASP 125 Cb 0.91 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.39 2kw4 h ASP 125 CO 0.01 0.00 0.55 0.22 -3.12 0.00 0.00 179.24 176.90 2kw4 h TYR 126 N 0.00 0.00 -0.01 4.55 5.03 -1.44 0.31 116.97 125.40 2kw4 h TYR 126 Ca 0.14 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.45 2kw4 h TYR 126 Cb 0.98 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.26 2kw4 h TYR 126 CO 0.00 0.00 0.13 -0.39 -1.32 0.00 0.00 178.16 176.58 2kw4 h VAL 127 N 0.00 0.02 0.23 1.81 -1.51 -1.21 -2.22 116.25 113.37 2kw4 h VAL 127 Ca 0.34 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.80 2kw4 h VAL 127 Cb 1.44 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 2kw4 h VAL 127 CO -0.00 0.00 -0.15 0.44 -1.23 0.00 0.00 177.57 176.63 2kw4 h ASP 128 N 0.00 -0.37 -0.20 4.19 3.32 -0.60 0.35 116.42 123.10 2kw4 h ASP 128 Ca 0.00 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.88 2kw4 h ASP 128 Cb 0.27 0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.94 2kw4 h ASP 128 CO -0.00 -0.24 -0.66 -0.03 -1.72 0.00 0.00 179.24 176.59 2kw4 h MET 129 N -0.37 0.80 0.34 3.56 4.05 -1.60 -3.06 114.93 118.65 2kw4 h MET 129 Ca -0.02 -0.59 -0.02 0.00 -0.28 0.00 0.00 59.70 58.79 2kw4 h MET 129 Cb 0.31 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 2kw4 h MET 129 CO 0.02 1.21 -0.16 -0.22 0.23 0.00 0.00 176.91 177.99 2kw4 h LYS 130 N 0.55 -0.44 -0.84 0.39 3.11 -1.38 -2.45 116.57 115.51 2kw4 h LYS 130 Ca -0.03 0.03 0.18 0.00 -2.81 0.00 0.00 60.65 58.03 2kw4 h LYS 130 Cb 1.28 0.10 -0.06 0.00 -1.00 0.00 0.00 32.23 32.56 2kw4 h LYS 130 CO 0.14 -0.29 0.56 0.00 -2.81 0.00 0.00 179.45 177.05 2kw4 h ALA 131 N 0.21 2.20 -0.98 5.00 0.00 -0.38 0.02 119.26 125.33 2kw4 h ALA 131 Ca -0.05 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.04 2kw4 h ALA 131 Cb 0.35 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 2kw4 h ALA 131 CO 0.08 -0.45 0.61 -0.22 0.00 0.00 0.00 179.25 179.27 2kw4 h LYS 132 N 0.39 0.76 0.05 0.00 3.64 -1.33 0.00 116.57 120.08 2kw4 h LYS 132 Ca 0.43 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.53 2kw4 h LYS 132 Cb 1.06 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2kw4 h LYS 132 CO -0.14 0.50 -1.06 1.03 -2.27 0.00 0.00 179.45 177.51 2kw4 h SER 133 N 0.78 0.21 -0.63 4.20 0.87 -1.03 -2.64 113.55 115.32 2kw4 h SER 133 Ca 0.53 -0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.91 2kw4 h SER 133 Cb 0.80 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 2kw4 h SER 133 CO -0.31 1.13 0.42 0.00 -0.53 0.00 0.00 176.83 177.54 2kw4 h ALA 134 N 0.84 1.63 0.07 6.23 0.00 -0.68 -2.97 119.26 124.37 2kw4 h ALA 134 Ca -0.06 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2kw4 h ALA 134 Cb 1.79 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2kw4 h ALA 134 CO 0.16 0.31 -0.78 1.25 0.00 0.00 0.00 179.25 180.19 2kw4 h LEU 135 N 0.78 0.22 0.00 0.00 6.46 -1.41 -3.50 115.31 117.86 2kw4 h LEU 135 Ca 0.25 -0.87 0.00 0.00 -0.12 0.00 0.00 57.88 57.14 2kw4 h LEU 135 Cb 0.03 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2kw4 h LEU 135 CO -0.06 1.34 0.00 0.61 -0.62 0.00 0.00 178.44 179.71 2kw4 n GLY 136 N 1.63 1.39 3.46 3.75 0.00 -1.00 -5.08 105.19 109.33 2kw4 n GLY 136 Ca -0.18 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 2.84 1.14 -0.61 -1.09 -1.20 -5.03 121.20 117.25 2kw4 s ILE 137 Ca 0.00 -1.09 -0.18 0.00 -2.23 0.00 0.00 60.65 57.16 2kw4 s ILE 137 Cb 0.00 -2.18 0.16 0.00 -1.58 0.00 0.00 42.46 38.86 2kw4 s ILE 137 CO 0.00 0.39 0.23 -2.11 -1.23 0.00 0.00 174.94 172.22 2kw4 n ARG 138 N 1.71 -2.07 -3.96 2.79 0.00 -1.26 -4.99 116.66 108.87 2kw4 n ARG 138 Ca -0.16 -0.59 0.04 0.00 -0.00 0.00 0.00 57.85 57.14 2kw4 n ARG 138 Cb 0.52 -1.74 0.01 0.00 -0.00 0.00 0.00 32.46 31.25 2kw4 n ARG 138 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kw4 n ASP 139 N -2.35 -1.01 -2.01 2.89 -0.08 -1.26 -5.14 116.55 107.58 2kw4 n ASP 139 Ca 0.02 -1.06 -0.06 0.00 -1.51 0.00 0.00 54.79 52.19 2kw4 n ASP 139 Cb 0.58 1.53 0.00 0.00 2.34 0.00 0.00 41.12 45.57 2kw4 n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kw4 n LEU 140 N 0.00 0.00 -4.66 -2.67 -0.00 -1.26 -5.12 117.00 103.28 2kw4 n LEU 140 Ca 0.06 -1.46 -0.48 0.00 -0.00 0.00 0.00 56.01 54.13 2kw4 n LEU 140 Cb 0.56 1.86 -0.05 0.00 -0.00 0.00 0.00 43.42 45.79 2kw4 n LEU 140 CO 0.13 -0.43 1.23 1.21 -0.00 0.00 0.00 177.39 179.53 2kw4 n GLU 141 N -0.30 2.01 -3.59 1.47 2.13 -1.26 -4.96 120.64 116.14 2kw4 n GLU 141 Ca -0.03 0.73 -0.11 0.00 0.66 0.00 0.00 57.16 58.41 2kw4 n GLU 141 Cb 0.32 -2.50 -0.06 0.00 0.27 0.00 0.00 31.44 29.48 2kw4 n GLU 141 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2kw4 s HIS 142 N 1.68 -0.42 -0.30 4.31 -3.43 -1.26 -5.14 115.29 110.72 2kw4 s HIS 142 Ca 0.83 0.84 0.01 0.00 -0.80 0.00 0.00 55.06 55.95 2kw4 s HIS 142 Cb -0.73 0.42 0.19 0.00 -1.43 0.00 0.00 32.58 31.04 2kw4 s HIS 142 CO 0.43 -0.32 0.73 -1.58 -2.00 0.00 0.00 174.74 172.00 2kw4 s HIS 143 N -0.66 -1.43 -0.29 0.38 5.04 -1.26 -5.15 115.29 111.91 2kw4 s HIS 143 Ca -0.01 0.77 -0.19 0.00 -1.54 0.00 0.00 55.06 54.09 2kw4 s HIS 143 Cb -0.02 0.25 0.18 0.00 0.04 0.00 0.00 32.58 33.03 2kw4 s HIS 143 CO -0.00 -0.85 1.22 -1.58 -2.34 0.00 0.00 174.74 171.19 2kw4 s HIS 144 N 2.76 -0.22 -0.01 3.88 5.04 -1.26 -5.06 115.29 120.42 2kw4 s HIS 144 Ca 0.16 0.47 0.00 0.00 -1.54 0.00 0.00 55.06 54.15 2kw4 s HIS 144 Cb -0.07 0.25 0.01 0.00 0.04 0.00 0.00 32.58 32.82 2kw4 s HIS 144 CO -0.23 -0.11 0.51 1.58 -2.34 0.00 0.00 174.74 174.15 2kw4 n HIS 145 N 2.77 -0.07 -2.51 3.88 -0.00 -1.26 -5.16 115.22 112.88 2kw4 n HIS 145 Ca -0.15 -0.28 0.08 0.00 0.46 0.00 0.00 57.72 57.82 2kw4 n HIS 145 Cb 0.57 0.42 -0.02 0.00 -0.12 0.00 0.00 29.99 30.83 2kw4 n HIS 145 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kw4 n HIS 146 N -0.05 -2.53 -0.84 1.57 8.25 -1.26 -5.40 115.22 114.95 2kw4 n HIS 146 Ca -0.13 0.70 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 2kw4 n HIS 146 Cb 0.48 -1.19 0.00 0.00 1.12 0.00 0.00 29.99 30.40 2kw4 n HIS 146 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56