#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 -7.89 -2.28 6.12 -0.08 -1.24 -5.03 116.55 106.15 2kw4 n ASP 2 Ca 0.00 0.71 -0.11 0.00 -1.51 0.00 0.00 54.79 53.89 2kw4 n ASP 2 Cb 0.00 -4.12 -0.04 0.00 2.34 0.00 0.00 41.12 39.30 2kw4 n ASP 2 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kw4 n ASP 3 N -4.05 -0.05 -4.59 1.67 9.92 -1.24 -4.89 116.55 113.32 2kw4 n ASP 3 Ca -0.01 -2.13 -0.43 0.00 -0.53 0.00 0.00 54.79 51.69 2kw4 n ASP 3 Cb 0.61 0.79 -0.03 0.00 -0.64 0.00 0.00 41.12 41.85 2kw4 n ASP 3 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2kw4 s ARG 4 N -2.72 3.71 0.00 -1.24 3.52 -1.26 -4.73 118.95 116.23 2kw4 s ARG 4 Ca 0.18 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 2kw4 s ARG 4 Cb 0.01 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 2kw4 s ARG 4 CO 0.13 -1.26 0.00 0.25 -0.81 0.00 0.00 175.30 173.61 2kw4 n THR 5 N 6.56 0.00 -2.74 4.11 -2.24 -1.26 -4.39 114.28 114.32 2kw4 n THR 5 Ca 0.10 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.81 2kw4 n THR 5 Cb 0.49 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.75 2kw4 n THR 5 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2kw4 n GLU 6 N -0.68 -1.43 -3.64 -0.78 2.13 -1.26 -4.99 120.64 109.98 2kw4 n GLU 6 Ca 0.00 0.84 -0.02 0.00 0.66 0.00 0.00 57.16 58.64 2kw4 n GLU 6 Cb 0.00 -4.68 -0.04 0.00 0.27 0.00 0.00 31.44 27.00 2kw4 n GLU 6 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 2kw4 s TYR 7 N -3.19 -0.04 0.76 4.31 -0.85 -1.26 -4.98 117.35 112.09 2kw4 s TYR 7 Ca 0.22 0.06 -0.15 0.00 -0.52 0.00 0.00 57.07 56.69 2kw4 s TYR 7 Cb -0.03 0.50 0.05 0.00 0.38 0.00 0.00 41.96 42.86 2kw4 s TYR 7 CO 0.55 -0.04 1.23 0.34 -1.52 0.00 0.00 175.55 176.10 2kw4 s ASP 8 N -1.25 3.91 0.16 -0.18 2.15 -1.26 -4.31 116.67 115.89 2kw4 s ASP 8 Ca 0.09 2.44 -0.14 0.00 0.43 0.00 0.00 52.55 55.37 2kw4 s ASP 8 Cb -0.01 -2.60 -0.07 0.00 -0.30 0.00 0.00 42.92 39.94 2kw4 s ASP 8 CO -0.07 -2.46 0.56 -0.69 -0.17 0.00 0.00 175.17 172.35 2kw4 s VAL 9 N -1.93 4.85 -1.13 1.11 1.01 -1.26 -4.36 120.40 118.69 2kw4 s VAL 9 Ca 0.76 0.83 -0.23 0.00 0.00 0.00 0.00 61.98 63.34 2kw4 s VAL 9 Cb -0.31 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.23 2kw4 s VAL 9 CO 0.47 0.21 1.94 0.00 0.00 0.00 0.00 175.10 177.72 2kw4 n TYR 10 N 0.72 2.54 -4.27 5.22 9.36 -1.26 -4.84 117.16 124.63 2kw4 n TYR 10 Ca -0.05 -1.44 -0.16 0.00 3.32 0.00 0.00 57.90 59.58 2kw4 n TYR 10 Cb 0.52 -2.51 -0.09 0.00 -0.63 0.00 0.00 39.34 36.62 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 10.65 0.15 -0.18 2.97 -4.23 -1.26 -3.10 115.64 120.65 2kw4 s THR 11 Ca 0.68 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.07 2kw4 s THR 11 Cb 0.01 -2.52 0.05 0.00 1.34 0.00 0.00 72.50 71.38 2kw4 s THR 11 CO 0.14 0.00 0.24 0.47 -0.54 0.00 0.00 174.62 174.93 2kw4 n ASP 12 N -0.71 -0.51 0.00 3.99 8.00 -0.90 -4.80 116.55 121.61 2kw4 n ASP 12 Ca 0.03 1.32 0.00 0.00 0.71 0.00 0.00 54.79 56.85 2kw4 n ASP 12 Cb 0.65 -5.14 0.00 0.00 -0.02 0.00 0.00 41.12 36.61 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 1.66 1.45 3.65 0.44 0.00 -1.26 -4.33 105.19 106.80 2kw4 n GLY 13 Ca -0.41 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.03 -0.30 1.61 0.15 -1.26 -4.95 113.70 108.92 2kw4 s SER 14 Ca 0.00 0.05 -0.26 0.00 0.70 0.00 0.00 55.95 56.44 2kw4 s SER 14 Cb 0.00 0.63 0.19 0.00 -1.71 0.00 0.00 66.02 65.14 2kw4 s SER 14 CO 0.00 -0.01 1.44 -0.72 1.20 0.00 0.00 173.24 175.15 2kw4 s TYR 15 N 0.62 -0.03 -0.04 3.44 -0.85 -1.26 -4.01 117.35 115.22 2kw4 s TYR 15 Ca -0.02 0.07 -0.02 0.00 -0.52 0.00 0.00 57.07 56.58 2kw4 s TYR 15 Cb -0.03 0.49 0.03 0.00 0.38 0.00 0.00 41.96 42.83 2kw4 s TYR 15 CO -0.12 -0.02 0.07 0.54 -1.52 0.00 0.00 175.55 174.50 2kw4 s VAL 16 N -0.27 -0.12 0.00 -3.49 0.11 -1.24 -5.00 120.40 110.40 2kw4 s VAL 16 Ca 0.08 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 2kw4 s VAL 16 Cb -0.04 -0.16 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 2kw4 s VAL 16 CO -0.14 0.15 0.00 -3.20 -3.33 0.00 0.00 175.10 168.58 2kw4 n ASN 17 N 4.98 0.00 -0.41 3.54 5.15 -1.26 -1.18 115.26 126.08 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 0.46 3.97 8.20 0.00 -1.26 -5.13 105.19 111.44 2kw4 n GLY 18 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2kw4 n GLY 18 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kw4 s GLN 19 N 0.00 2.44 -0.02 1.61 -0.21 -0.33 -4.98 119.66 118.17 2kw4 s GLN 19 Ca 0.00 -1.63 0.02 0.00 0.02 0.00 0.00 55.36 53.77 2kw4 s GLN 19 Cb 0.00 -2.49 0.01 0.00 1.00 0.00 0.00 33.01 31.53 2kw4 s GLN 19 CO 0.00 -0.56 -0.05 1.52 -2.12 0.00 0.00 175.29 174.08 2kw4 s TYR 20 N -2.59 0.65 0.20 0.91 1.13 -1.26 -3.62 117.35 112.76 2kw4 s TYR 20 Ca 0.52 -0.15 0.02 0.00 -1.41 0.00 0.00 57.07 56.05 2kw4 s TYR 20 Cb -0.05 -0.51 -0.05 0.00 -1.10 0.00 0.00 41.96 40.25 2kw4 s TYR 20 CO 0.32 -0.10 0.02 0.00 -2.51 0.00 0.00 175.55 173.28 2kw4 s ALA 21 N 0.40 1.47 -0.08 9.51 0.00 -1.26 -1.42 121.76 130.38 2kw4 s ALA 21 Ca -0.05 -1.66 -0.04 0.00 0.00 0.00 0.00 51.96 50.21 2kw4 s ALA 21 Cb -0.09 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.72 2kw4 s ALA 21 CO -0.00 -0.34 0.18 1.67 0.00 0.00 0.00 175.76 177.26 2kw4 s TRP 22 N -3.66 -0.21 0.32 0.00 -2.14 -0.98 -4.11 118.94 108.15 2kw4 s TRP 22 Ca 0.27 0.57 0.04 0.00 2.66 0.00 0.00 56.10 59.64 2kw4 s TRP 22 Cb 0.06 -0.04 -0.06 0.00 -3.10 0.00 0.00 33.47 30.33 2kw4 s TRP 22 CO 0.06 -0.18 0.04 0.00 -2.66 0.00 0.00 176.95 174.22 2kw4 s ALA 23 N 1.13 2.35 0.08 2.67 0.00 -1.26 -2.74 121.76 123.99 2kw4 s ALA 23 Ca -0.09 -2.04 -0.26 0.00 0.00 0.00 0.00 51.96 49.58 2kw4 s ALA 23 Cb -0.11 0.59 0.08 0.00 0.00 0.00 0.00 23.12 23.68 2kw4 s ALA 23 CO -0.06 -0.28 0.69 1.52 0.00 0.00 0.00 175.76 177.63 2kw4 s TYR 24 N -3.26 -0.51 -0.19 0.00 -0.85 -1.18 -4.18 117.35 107.18 2kw4 s TYR 24 Ca 0.35 0.43 -0.07 0.00 -0.52 0.00 0.00 57.07 57.27 2kw4 s TYR 24 Cb 0.08 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.91 2kw4 s TYR 24 CO 0.15 -0.73 0.06 0.00 -1.52 0.00 0.00 175.55 173.50 2kw4 s ALA 25 N -3.14 3.33 -0.08 9.51 0.00 -1.26 -4.49 121.76 125.63 2kw4 s ALA 25 Ca -0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 2kw4 s ALA 25 Cb -0.01 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 2kw4 s ALA 25 CO -0.08 0.05 -0.04 -0.06 0.00 0.00 0.00 175.76 175.63 2kw4 s PHE 26 N 0.62 3.02 -0.05 0.00 0.40 -1.26 -4.83 117.98 115.88 2kw4 s PHE 26 Ca 0.03 0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.42 2kw4 s PHE 26 Cb -0.13 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.69 2kw4 s PHE 26 CO 0.02 0.38 0.10 0.08 0.70 0.00 0.00 175.22 176.50 2kw4 s VAL 27 N -0.83 -0.04 -0.05 -0.44 1.01 -1.26 -2.79 120.40 116.00 2kw4 s VAL 27 Ca 0.13 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2kw4 s VAL 27 Cb -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.10 2kw4 s VAL 27 CO 0.02 0.06 -0.13 -0.54 0.00 0.00 0.00 175.10 174.51 2kw4 s LYS 28 N 0.90 1.49 -0.36 2.72 -0.14 0.98 -4.70 119.74 120.62 2kw4 s LYS 28 Ca -0.07 -0.44 0.00 0.00 -1.36 0.00 0.00 55.97 54.10 2kw4 s LYS 28 Cb -0.09 -1.29 0.00 0.00 -1.68 0.00 0.00 37.83 34.76 2kw4 s LYS 28 CO -0.04 0.13 0.00 -0.25 -0.76 0.00 0.00 175.35 174.43 2kw4 n ASP 29 N 3.43 -4.83 0.00 2.83 9.92 -1.26 -2.07 116.55 124.58 2kw4 n ASP 29 Ca -0.20 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 2kw4 n ASP 29 Cb 0.53 -2.62 0.00 0.00 -0.64 0.00 0.00 41.12 38.39 2kw4 n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kw4 n GLY 30 N -0.69 0.99 3.38 0.44 0.00 -1.26 -4.75 105.19 103.30 2kw4 n GLY 30 Ca -0.03 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.97 1.20 0.03 1.61 -2.85 -0.88 -4.85 119.74 112.03 2kw4 s LYS 31 Ca 0.00 -1.08 -0.30 0.00 -1.00 0.00 0.00 55.97 53.59 2kw4 s LYS 31 Cb 0.00 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 36.11 2kw4 s LYS 31 CO 0.00 -0.46 1.73 0.08 0.10 0.00 0.00 175.35 176.80 2kw4 s VAL 32 N -3.94 3.16 -0.17 1.79 1.01 -1.26 -0.01 120.40 120.98 2kw4 s VAL 32 Ca 0.14 0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 2kw4 s VAL 32 Cb 0.02 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 2kw4 s VAL 32 CO -0.01 -0.02 -0.19 1.57 0.00 0.00 0.00 175.10 176.45 2kw4 n HIS 33 N 6.46 0.00 -4.53 5.22 -0.00 -1.12 -4.80 115.22 116.45 2kw4 n HIS 33 Ca 0.17 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 58.09 2kw4 n HIS 33 Cb 0.41 -0.62 -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 -2.32 1.78 -0.30 1.57 2.02 -1.25 -5.04 117.35 113.81 2kw4 s TYR 34 Ca -0.23 -1.35 -0.16 0.00 -0.37 0.00 0.00 57.07 54.95 2kw4 s TYR 34 Cb 0.08 -1.14 0.18 0.00 -0.40 0.00 0.00 41.96 40.67 2kw4 s TYR 34 CO 0.33 -0.36 1.18 -2.00 -1.57 0.00 0.00 175.55 173.14 2kw4 s GLU 35 N -3.65 0.02 0.00 -0.62 -6.30 -1.26 -4.26 118.70 102.63 2kw4 s GLU 35 Ca 0.21 0.02 -0.28 0.00 -2.50 0.00 0.00 54.97 52.42 2kw4 s GLU 35 Cb 0.01 0.01 0.10 0.00 0.00 0.00 0.00 34.13 34.25 2kw4 s GLU 35 CO 0.15 -0.04 1.26 0.34 0.02 0.00 0.00 175.26 177.00 2kw4 s ASP 36 N 2.99 -0.01 0.01 -1.70 -1.08 -1.26 -5.14 116.67 110.48 2kw4 s ASP 36 Ca 0.32 -0.23 -0.00 0.00 -0.52 0.00 0.00 52.55 52.12 2kw4 s ASP 36 Cb 0.00 0.18 0.00 0.00 -1.46 0.00 0.00 42.92 41.64 2kw4 s ASP 36 CO -0.22 -0.36 0.01 0.00 0.52 0.00 0.00 175.17 175.13 2kw4 n ALA 37 N -0.81 -0.01 -3.44 3.66 0.00 -1.26 -4.06 120.51 114.59 2kw4 n ALA 37 Ca 0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2kw4 n ALA 37 Cb 0.59 0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.04 -0.56 0.16 0.00 1.01 -1.11 -5.04 116.67 110.10 2kw4 s ASP 38 Ca 0.01 1.05 0.04 0.00 0.71 0.00 0.00 52.55 54.35 2kw4 s ASP 38 Cb -0.00 1.06 -0.04 0.00 1.01 0.00 0.00 42.92 44.95 2kw4 s ASP 38 CO 0.00 -0.21 0.23 -0.69 0.21 0.00 0.00 175.17 174.71 2kw4 s VAL 39 N 0.17 4.99 0.00 -1.27 1.01 -1.26 -2.32 120.40 121.73 2kw4 s VAL 39 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2kw4 s VAL 39 Cb -0.04 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2kw4 s VAL 39 CO 0.01 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.60 2kw4 n GLY 40 N -0.56 4.15 0.98 4.51 0.00 -0.51 -5.00 105.19 108.75 2kw4 n GLY 40 Ca -0.08 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.70 2kw4 n GLY 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kw4 n LYS 41 N -0.03 0.12 -2.57 1.61 0.00 -1.26 -4.51 118.16 111.51 2kw4 n LYS 41 Ca -0.00 -0.52 -0.31 0.00 -0.00 0.00 0.00 58.31 57.48 2kw4 n LYS 41 Cb 0.01 0.45 -0.03 0.00 -0.00 0.00 0.00 35.03 35.46 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 -0.52 6.51 0.00 -5.58 0.01 -1.26 -4.94 114.94 109.17 2kw4 s ASN 42 Ca 0.01 1.31 -0.24 0.00 -0.71 0.00 0.00 52.86 53.23 2kw4 s ASN 42 Cb 0.04 -2.40 -0.18 0.00 0.41 0.00 0.00 41.25 39.12 2kw4 s ASN 42 CO -0.01 -0.53 1.30 1.55 -1.51 0.00 0.00 177.10 177.90 2kw4 h PRO 43 N 0.90 0.15 0.00 -0.60 0.13 -2.01 0.24 132.00 130.82 2kw4 h PRO 43 Ca -0.47 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2kw4 h PRO 43 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kw4 h PRO 43 CO 0.63 0.59 -0.01 0.00 -0.23 0.00 0.00 178.00 178.97 2kw4 h ALA 44 N 0.55 1.47 0.04 -0.56 0.00 -1.98 0.27 119.26 119.05 2kw4 h ALA 44 Ca 0.01 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2kw4 h ALA 44 Cb 0.57 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2kw4 h ALA 44 CO 0.02 0.02 -2.01 0.00 0.00 0.00 0.00 179.25 177.28 2kw4 n ALA 45 N -2.30 1.29 0.17 0.00 0.00 -1.17 -4.17 120.51 114.32 2kw4 n ALA 45 Ca -0.03 -0.84 0.04 0.00 0.00 0.00 0.00 53.44 52.61 2kw4 n ALA 45 Cb 0.10 -0.60 0.20 0.00 0.00 0.00 0.00 19.45 19.15 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 0.57 0.84 0.00 0.00 0.00 0.08 -2.96 119.26 117.78 2kw4 h ALA 46 Ca -0.41 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2kw4 h ALA 46 Cb 2.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2kw4 h ALA 46 CO 0.05 0.55 0.00 -2.37 0.00 0.00 0.00 179.25 177.49 2kw4 n THR 47 N -3.39 0.44 -1.15 0.00 5.66 0.88 -2.51 114.28 114.21 2kw4 n THR 47 Ca 0.01 0.11 0.06 0.00 -3.05 0.00 0.00 64.05 61.18 2kw4 n THR 47 Cb 0.61 -0.75 0.21 0.00 -1.55 0.00 0.00 70.33 68.85 2kw4 n THR 47 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2kw4 n MET 48 N -1.37 2.10 0.00 1.09 2.81 -1.12 -5.02 117.12 115.61 2kw4 n MET 48 Ca 0.08 -2.86 0.00 0.00 -1.81 0.00 0.00 57.70 53.11 2kw4 n MET 48 Cb 0.20 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 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 -0.96 0.00 -0.54 0.03 1.74 -1.05 -1.17 116.66 114.71 2kw4 n ARG 49 Ca 0.22 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.29 2kw4 n ARG 49 Cb 0.83 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.26 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 2.17 -0.03 -0.02 0.55 0.23 -1.26 -4.49 115.26 112.41 2kw4 n ASN 50 Ca 0.00 -1.32 -0.15 0.00 -0.53 0.00 0.00 54.58 52.57 2kw4 n ASN 50 Cb 0.00 -0.04 -0.04 0.00 -2.08 0.00 0.00 39.78 37.61 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 5.55 1.29 0.00 3.53 2.07 -1.43 -2.53 116.25 124.74 2kw4 h VAL 51 Ca -0.03 -1.95 -0.12 0.00 0.82 0.00 0.00 66.70 65.41 2kw4 h VAL 51 Cb 1.14 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 2kw4 h VAL 51 CO -0.01 0.62 -0.59 0.00 0.02 0.00 0.00 177.57 177.61 2kw4 h ALA 52 N 0.66 0.76 -0.01 1.67 0.00 -1.81 -3.23 119.26 117.30 2kw4 h ALA 52 Ca -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2kw4 h ALA 52 Cb 1.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2kw4 h ALA 52 CO 0.15 0.73 -0.02 0.78 0.00 0.00 0.00 179.25 180.89 2kw4 h GLY 53 N 2.65 0.02 0.23 0.00 0.00 -1.84 0.26 103.07 104.39 2kw4 h GLY 53 Ca -0.01 -0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.38 2kw4 h GLY 53 CO 0.08 0.03 0.00 1.05 0.00 0.00 0.00 176.54 177.70 2kw4 h GLU 54 N -0.61 0.11 -0.01 4.80 4.11 -1.54 -1.24 114.58 120.19 2kw4 h GLU 54 Ca -0.00 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 2kw4 h GLU 54 Cb 0.67 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2kw4 h GLU 54 CO 0.00 0.07 -0.75 0.82 0.07 0.00 0.00 179.01 179.23 2kw4 h ILE 55 N 0.12 1.49 -1.11 -1.06 2.04 -1.64 -2.39 117.51 114.95 2kw4 h ILE 55 Ca 0.24 -2.44 0.31 0.00 1.00 0.00 0.00 64.86 63.97 2kw4 h ILE 55 Cb 0.35 2.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 2kw4 h ILE 55 CO -0.39 0.71 0.78 0.00 0.00 0.00 0.00 178.15 179.24 2kw4 h ALA 56 N 1.17 2.84 0.12 1.87 0.00 0.31 -0.45 119.26 125.11 2kw4 h ALA 56 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kw4 h ALA 56 Cb 1.32 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2kw4 h ALA 56 CO 0.11 -1.19 -0.20 0.00 0.00 0.00 0.00 179.25 177.97 2kw4 h ALA 57 N 1.49 -0.34 -1.00 0.00 0.00 -1.49 -2.21 119.26 115.70 2kw4 h ALA 57 Ca 0.56 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.60 2kw4 h ALA 57 Cb 2.00 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 20.00 2kw4 h ALA 57 CO -0.09 -0.73 0.62 0.00 0.00 0.00 0.00 179.25 179.05 2kw4 h ALA 58 N 0.42 1.66 0.07 0.00 0.00 -1.28 0.33 119.26 120.45 2kw4 h ALA 58 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kw4 h ALA 58 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kw4 h ALA 58 CO -0.10 0.02 -0.16 -0.07 0.00 0.00 0.00 179.25 178.94 2kw4 h LEU 59 N 0.82 -0.47 -1.86 0.00 3.38 -1.34 0.99 115.31 116.84 2kw4 h LEU 59 Ca 0.55 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.54 2kw4 h LEU 59 Cb 0.78 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2kw4 h LEU 59 CO -0.33 -0.18 -0.10 1.88 0.09 0.00 0.00 178.44 179.80 2kw4 h TYR 60 N -0.25 0.00 -0.43 1.13 -1.99 -1.34 -2.17 116.97 111.91 2kw4 h TYR 60 Ca -0.01 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 2kw4 h TYR 60 Cb 0.24 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.96 2kw4 h TYR 60 CO -0.27 0.10 0.04 0.00 -0.00 0.00 0.00 178.16 178.03 2kw4 h ALA 61 N 1.90 0.57 0.01 3.88 0.00 0.34 -2.20 119.26 123.75 2kw4 h ALA 61 Ca -0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2kw4 h ALA 61 Cb 0.38 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kw4 h ALA 61 CO 0.01 0.32 -0.49 0.28 0.00 0.00 0.00 179.25 179.37 2kw4 h VAL 62 N 0.57 1.48 -0.53 0.00 2.07 -0.52 -2.11 116.25 117.22 2kw4 h VAL 62 Ca 0.13 -2.08 0.10 0.00 0.82 0.00 0.00 66.70 65.67 2kw4 h VAL 62 Cb 0.43 2.72 -0.08 0.00 -1.52 0.00 0.00 31.29 32.84 2kw4 h VAL 62 CO 0.01 0.59 0.03 0.11 0.02 0.00 0.00 177.57 178.34 2kw4 h LYS 63 N -0.28 0.15 -0.00 1.57 1.57 -1.43 -0.40 116.57 117.75 2kw4 h LYS 63 Ca -0.06 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 2kw4 h LYS 63 Cb 1.23 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 2kw4 h LYS 63 CO 0.10 0.10 -0.67 0.87 -0.57 0.00 0.00 179.45 179.28 2kw4 h LYS 64 N 0.15 0.02 -0.91 3.15 6.56 -1.49 -3.12 116.57 120.94 2kw4 h LYS 64 Ca 0.27 -0.02 0.22 0.00 -1.06 0.00 0.00 60.65 60.06 2kw4 h LYS 64 Cb 0.41 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.01 2kw4 h LYS 64 CO -0.42 0.68 0.61 0.00 -2.06 0.00 0.00 179.45 178.26 2kw4 h ALA 65 N 1.31 2.34 -0.00 3.86 0.00 -0.34 0.35 119.26 126.78 2kw4 h ALA 65 Ca -0.01 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2kw4 h ALA 65 Cb 1.18 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2kw4 h ALA 65 CO 0.09 -0.63 -0.66 1.03 0.00 0.00 0.00 179.25 179.08 2kw4 h SER 66 N 0.32 0.02 -0.23 0.00 0.87 -1.44 0.56 113.55 113.64 2kw4 h SER 66 Ca 0.47 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.88 2kw4 h SER 66 Cb 1.31 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 2kw4 h SER 66 CO -0.15 0.67 -0.36 1.56 -0.53 0.00 0.00 176.83 178.02 2kw4 h GLN 67 N 0.01 0.76 0.00 2.24 4.20 -0.43 -2.99 115.11 118.90 2kw4 h GLN 67 Ca -0.01 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2kw4 h GLN 67 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2kw4 h GLN 67 CO 0.09 1.00 -0.65 1.28 -0.67 0.00 0.00 178.83 179.88 2kw4 n LEU 68 N -4.06 0.61 -2.79 1.46 4.32 -0.87 -4.95 117.00 110.71 2kw4 n LEU 68 Ca -0.02 -0.07 -0.19 0.00 -0.02 0.00 0.00 56.01 55.71 2kw4 n LEU 68 Cb 0.51 -0.19 0.01 0.00 -1.62 0.00 0.00 43.42 42.13 2kw4 n LEU 68 CO 0.46 0.12 -0.11 0.61 -1.22 0.00 0.00 177.39 177.26 2kw4 n GLY 69 N 1.47 -0.50 0.07 -0.72 0.00 0.17 -4.84 105.19 100.84 2kw4 n GLY 69 Ca 0.05 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.96 0.98 -4.67 1.61 0.24 -1.11 -3.72 118.33 107.70 2kw4 n VAL 70 Ca -0.13 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 2kw4 n VAL 70 Cb 0.62 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 -2.53 0.00 -4.23 7.34 4.01 -1.23 -3.65 118.16 117.87 2kw4 n LYS 71 Ca -0.23 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.42 2kw4 n LYS 71 Cb 0.96 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 35.39 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 0.00 0.03 0.28 -0.18 -4.36 -1.26 -4.94 121.20 110.77 2kw4 s ILE 72 Ca 0.00 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.09 2kw4 s ILE 72 Cb 0.00 -2.50 -0.13 0.00 1.25 0.00 0.00 42.46 41.08 2kw4 s ILE 72 CO 0.00 0.00 1.38 -1.14 0.24 0.00 0.00 174.94 175.42 2kw4 n ARG 73 N -0.40 2.13 -4.24 0.37 3.00 -1.26 -4.77 116.66 111.48 2kw4 n ARG 73 Ca 0.04 0.75 -0.18 0.00 -0.00 0.00 0.00 57.85 58.46 2kw4 n ARG 73 Cb 0.65 -2.39 -0.08 0.00 0.00 0.00 0.00 32.46 30.64 2kw4 n ARG 73 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2kw4 s ILE 74 N -0.45 0.00 0.00 5.15 -0.00 -1.26 -4.66 121.20 119.98 2kw4 s ILE 74 Ca 0.63 -1.93 0.00 0.00 -0.00 0.00 0.00 60.65 59.35 2kw4 s ILE 74 Cb -0.60 -2.52 0.00 0.00 -0.00 0.00 0.00 42.46 39.33 2kw4 s ILE 74 CO 0.54 0.00 0.00 0.18 -0.00 0.00 0.00 174.94 175.66 2kw4 n LEU 75 N -0.58 0.00 -1.74 0.37 7.99 -1.26 -3.39 117.00 118.39 2kw4 n LEU 75 Ca 0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 56.03 2kw4 n LEU 75 Cb 0.62 0.00 0.26 0.00 -0.11 0.00 0.00 43.42 44.20 2kw4 n LEU 75 CO 0.32 0.00 0.88 1.57 -1.51 0.00 0.00 177.39 178.65 2kw4 n HIS 76 N 0.00 1.94 -1.65 -1.77 -0.00 -1.26 -4.51 115.22 107.97 2kw4 n HIS 76 Ca 0.00 -0.92 -0.35 0.00 0.46 0.00 0.00 57.72 56.91 2kw4 n HIS 76 Cb 0.00 -0.56 0.03 0.00 -0.12 0.00 0.00 29.99 29.33 2kw4 n HIS 76 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2kw4 n ASP 77 N 0.05 7.26 0.02 0.26 2.03 -1.22 -4.74 116.55 120.22 2kw4 n ASP 77 Ca 0.31 -3.64 -0.13 0.00 0.52 0.00 0.00 54.79 51.86 2kw4 n ASP 77 Cb 1.16 -1.09 -0.06 0.00 -0.72 0.00 0.00 41.12 40.41 2kw4 n ASP 77 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2kw4 h TYR 78 N 2.71 -1.17 -1.11 -0.67 -1.99 -1.93 -3.45 116.97 109.36 2kw4 h TYR 78 Ca 0.52 0.04 0.00 0.00 2.00 0.00 0.00 58.73 61.29 2kw4 h TYR 78 Cb 0.38 0.52 0.00 0.00 2.00 0.00 0.00 36.73 39.64 2kw4 h TYR 78 CO 1.27 -0.48 0.00 0.00 -0.00 0.00 0.00 178.16 178.95 2kw4 n ALA 79 N -2.90 0.00 0.23 3.88 0.00 -1.26 -0.47 120.51 119.99 2kw4 n ALA 79 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.49 2kw4 n ALA 79 Cb 0.36 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.38 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 0.00 0.00 0.93 0.00 0.00 -1.75 -3.00 103.07 99.25 2kw4 h GLY 80 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2kw4 h GLY 80 CO 0.00 0.00 0.14 -2.22 0.00 0.00 0.00 176.54 174.46 2kw4 h ILE 81 N 0.00 1.17 0.00 2.60 5.03 -1.83 -1.83 117.51 122.65 2kw4 h ILE 81 Ca -0.00 -0.52 0.00 0.00 -0.12 0.00 0.00 64.86 64.21 2kw4 h ILE 81 Cb 0.52 0.93 0.00 0.00 -3.03 0.00 0.00 36.82 35.24 2kw4 h ILE 81 CO 0.03 0.18 0.00 0.00 -0.68 0.00 0.00 178.15 177.68 2kw4 n ALA 82 N -2.27 1.74 0.23 1.87 0.00 0.38 -2.33 120.51 120.13 2kw4 n ALA 82 Ca -0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 2kw4 n ALA 82 Cb 0.13 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.57 0.00 0.00 3.57 -1.31 -3.25 116.94 115.38 2kw4 h PHE 83 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2kw4 h PHE 83 Cb 0.23 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2kw4 h PHE 83 CO 0.00 -0.25 -0.23 0.11 -2.23 0.00 0.00 178.31 175.71 2kw4 h TRP 84 N -0.98 0.00 0.00 0.41 0.09 -1.61 -3.25 115.95 110.60 2kw4 h TRP 84 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.92 2kw4 h TRP 84 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.82 2kw4 h TRP 84 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 2kw4 h ALA 85 N 2.34 1.00 0.00 0.11 0.00 -1.49 -1.54 119.26 119.68 2kw4 h ALA 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kw4 h ALA 85 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kw4 h ALA 85 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 179.25 181.04 2kw4 h THR 86 N 0.00 0.00 -1.74 0.00 1.35 -1.63 -3.40 112.91 107.48 2kw4 h THR 86 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2kw4 h THR 86 Cb 0.06 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.23 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 -0.77 -1.21 0.07 5.82 0.00 -0.58 -5.08 105.19 103.44 2kw4 n GLY 87 Ca -0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.09 0.39 -3.36 1.61 1.02 -1.26 -5.07 120.64 113.87 2kw4 n GLU 88 Ca 0.00 0.15 0.02 0.00 -0.02 0.00 0.00 57.16 57.32 2kw4 n GLU 88 Cb 0.00 -1.18 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 2kw4 n GLU 88 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kw4 s TRP 89 N -2.40 -0.31 -0.91 -0.32 0.52 -1.26 -5.09 118.94 109.17 2kw4 s TRP 89 Ca -0.21 0.55 -0.25 0.00 0.02 0.00 0.00 56.10 56.21 2kw4 s TRP 89 Cb 0.03 0.19 -0.07 0.00 -1.15 0.00 0.00 33.47 32.46 2kw4 s TRP 89 CO 0.32 -0.15 2.04 -1.59 0.02 0.00 0.00 176.95 177.59 2kw4 s LYS 90 N 1.96 2.31 -0.10 4.98 -2.85 -1.23 -4.51 119.74 120.31 2kw4 s LYS 90 Ca -0.03 -0.21 -0.27 0.00 -1.00 0.00 0.00 55.97 54.46 2kw4 s LYS 90 Cb -0.03 -5.02 -0.25 0.00 -2.06 0.00 0.00 37.83 30.47 2kw4 s LYS 90 CO -0.15 -3.71 0.91 0.00 0.10 0.00 0.00 175.35 172.49 2kw4 h ALA 91 N 11.44 0.00 0.05 0.59 0.00 -1.99 -3.37 119.26 125.98 2kw4 h ALA 91 Ca 0.09 -0.47 -0.32 0.00 0.00 0.00 0.00 54.91 54.20 2kw4 h ALA 91 Cb 1.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2kw4 h ALA 91 CO 1.16 0.01 -1.84 1.63 0.00 0.00 0.00 179.25 180.21 2kw4 n LYS 92 N -4.59 0.69 -4.30 0.00 4.01 -1.26 -4.96 118.16 107.75 2kw4 n LYS 92 Ca -0.10 0.28 -0.38 0.00 -0.51 0.00 0.00 58.31 57.60 2kw4 n LYS 92 Cb 0.47 -1.75 -0.06 0.00 -0.51 0.00 0.00 35.03 33.18 2kw4 n LYS 92 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2kw4 n ASN 93 N -3.22 -2.19 0.00 4.39 0.23 -1.26 -4.44 115.26 108.76 2kw4 n ASN 93 Ca -0.23 -1.05 0.00 0.00 -0.53 0.00 0.00 54.58 52.76 2kw4 n ASN 93 Cb 1.05 -1.88 0.00 0.00 -2.08 0.00 0.00 39.78 36.88 2kw4 n ASN 93 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2kw4 n GLU 94 N -4.02 0.00 0.00 -3.83 0.00 -1.26 -4.89 120.64 106.64 2kw4 n GLU 94 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.26 2kw4 n GLU 94 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.90 2kw4 n GLU 94 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2kw4 n PHE 95 N -1.76 0.00 -0.30 4.31 3.72 -1.26 -0.74 117.46 121.42 2kw4 n PHE 95 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 2kw4 n PHE 95 Cb 0.00 -0.25 0.18 0.00 -0.94 0.00 0.00 39.48 38.47 2kw4 n PHE 95 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2kw4 h THR 96 N 0.00 0.88 -0.64 4.37 2.02 -1.93 -1.83 112.91 115.78 2kw4 h THR 96 Ca 0.00 -0.27 0.13 0.00 0.77 0.00 0.00 66.41 67.05 2kw4 h THR 96 Cb 0.00 0.03 -0.10 0.00 -1.74 0.00 0.00 68.15 66.34 2kw4 h THR 96 CO 0.00 0.14 0.07 -0.61 0.37 0.00 0.00 175.52 175.49 2kw4 h GLN 97 N 0.78 0.17 -1.31 6.66 4.15 -1.59 0.15 115.11 124.12 2kw4 h GLN 97 Ca 0.42 -0.01 0.39 0.00 0.77 0.00 0.00 58.65 60.21 2kw4 h GLN 97 Cb 0.43 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 27.99 2kw4 h GLN 97 CO -0.27 0.12 0.89 0.00 -1.93 0.00 0.00 178.83 177.64 2kw4 h ALA 98 N 1.56 2.89 -0.01 3.38 0.00 -0.03 0.42 119.26 127.46 2kw4 h ALA 98 Ca 0.34 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.32 2kw4 h ALA 98 Cb 0.56 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2kw4 h ALA 98 CO -0.50 -1.37 -0.29 -0.92 0.00 0.00 0.00 179.25 176.18 2kw4 h TYR 99 N 0.13 -0.78 -0.64 0.00 3.20 -0.78 0.31 116.97 118.40 2kw4 h TYR 99 Ca 0.71 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.73 2kw4 h TYR 99 Cb 2.39 0.35 -0.04 0.00 1.54 0.00 0.00 36.73 40.97 2kw4 h TYR 99 CO -0.00 -0.38 0.44 0.00 -1.64 0.00 0.00 178.16 176.58 2kw4 h ALA 100 N 0.37 2.16 -0.03 1.82 0.00 -1.03 -1.45 119.26 121.11 2kw4 h ALA 100 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2kw4 h ALA 100 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kw4 h ALA 100 CO -0.25 -0.33 -0.27 0.87 0.00 0.00 0.00 179.25 179.27 2kw4 h LYS 101 N 0.32 0.23 0.00 0.00 1.57 -1.08 -3.13 116.57 114.48 2kw4 h LYS 101 Ca 0.31 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2kw4 h LYS 101 Cb 0.77 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2kw4 h LYS 101 CO -0.08 0.90 0.00 -0.07 -0.57 0.00 0.00 179.45 179.63 2kw4 h LEU 102 N -0.37 0.00 0.28 2.94 3.38 0.36 -3.10 115.31 118.80 2kw4 h LEU 102 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2kw4 h LEU 102 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2kw4 h LEU 102 CO 0.05 0.00 -0.19 -0.03 0.09 0.00 0.00 178.44 178.37 2kw4 h MET 103 N 0.00 -0.42 -0.83 1.13 4.05 -1.23 -2.54 114.93 115.08 2kw4 h MET 103 Ca 0.00 0.03 0.22 0.00 -0.28 0.00 0.00 59.70 59.67 2kw4 h MET 103 Cb 0.07 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 2kw4 h MET 103 CO 0.00 -0.28 0.58 -0.97 0.23 0.00 0.00 176.91 176.47 2kw4 h ASN 104 N -0.44 0.15 -0.42 1.39 -1.24 -1.70 0.32 115.58 113.65 2kw4 h ASN 104 Ca -0.04 0.02 0.08 0.00 0.71 0.00 0.00 56.30 57.07 2kw4 h ASN 104 Cb 0.36 -0.01 -0.07 0.00 0.73 0.00 0.00 38.32 39.33 2kw4 h ASN 104 CO 0.03 0.06 -0.00 -0.61 -1.29 0.00 0.00 177.43 175.62 2kw4 h GLN 105 N 0.15 0.10 -0.15 6.67 -0.00 -1.51 -2.69 115.11 117.69 2kw4 h GLN 105 Ca 0.41 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.98 2kw4 h GLN 105 Cb 1.38 -0.02 -0.04 0.00 0.00 0.00 0.00 27.48 28.79 2kw4 h GLN 105 CO -0.07 0.07 -0.28 2.48 0.00 0.00 0.00 178.83 181.03 2kw4 n TYR 106 N -5.20 0.48 -2.84 3.99 0.18 -0.35 -5.02 117.16 108.40 2kw4 n TYR 106 Ca 0.03 -1.49 -0.42 0.00 1.88 0.00 0.00 57.90 57.91 2kw4 n TYR 106 Cb 0.22 -0.35 -0.04 0.00 -0.38 0.00 0.00 39.34 38.80 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 -3.21 4.36 0.00 -3.48 3.00 0.97 -4.35 118.95 116.25 2kw4 s ARG 107 Ca 0.40 1.13 0.00 0.00 -1.00 0.00 0.00 55.73 56.26 2kw4 s ARG 107 Cb 0.38 -3.54 0.00 0.00 0.00 0.00 0.00 34.95 31.78 2kw4 s ARG 107 CO -0.03 -0.26 0.00 0.41 0.00 0.00 0.00 175.30 175.42 2kw4 n GLY 108 N 3.28 0.18 0.07 8.12 0.00 -1.26 -4.96 105.19 110.61 2kw4 n GLY 108 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 0.84 -4.71 -0.61 -0.00 -1.26 -5.05 119.36 108.57 2kw4 n ILE 109 Ca 0.00 -0.44 -0.31 0.00 -0.00 0.00 0.00 62.75 62.00 2kw4 n ILE 109 Cb 0.00 -0.83 -0.08 0.00 -0.00 0.00 0.00 39.64 38.74 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 -2.30 1.85 -0.02 4.28 1.13 -1.26 -4.42 117.35 116.62 2kw4 s TYR 110 Ca -0.12 -1.03 -0.10 0.00 -1.41 0.00 0.00 57.07 54.42 2kw4 s TYR 110 Cb 0.04 -1.51 0.01 0.00 -1.10 0.00 0.00 41.96 39.40 2kw4 s TYR 110 CO 0.44 0.11 0.21 -1.12 -2.51 0.00 0.00 175.55 172.68 2kw4 s SER 111 N -3.82 -0.09 0.29 -0.18 0.01 -1.26 -4.95 113.70 103.70 2kw4 s SER 111 Ca 0.10 -0.00 -0.15 0.00 1.31 0.00 0.00 55.95 57.21 2kw4 s SER 111 Cb 0.02 0.28 0.01 0.00 0.21 0.00 0.00 66.02 66.55 2kw4 s SER 111 CO 0.06 -0.35 0.60 -0.36 0.41 0.00 0.00 173.24 173.60 2kw4 s PHE 112 N -1.11 0.21 0.00 2.43 0.08 -1.26 -4.29 117.98 114.04 2kw4 s PHE 112 Ca -0.12 -0.63 0.00 0.00 0.12 0.00 0.00 56.93 56.30 2kw4 s PHE 112 Cb -0.06 0.43 0.00 0.00 -0.57 0.00 0.00 43.02 42.82 2kw4 s PHE 112 CO 0.02 -1.17 0.00 -1.91 -0.10 0.00 0.00 175.22 172.07 2kw4 n GLU 113 N -0.44 -0.43 -3.30 0.44 2.13 -1.26 -5.01 120.64 112.77 2kw4 n GLU 113 Ca -0.03 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.39 2kw4 n GLU 113 Cb 0.61 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.23 2kw4 n GLU 113 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2kw4 s LYS 114 N -3.00 3.79 -0.10 5.31 2.20 -1.26 -5.06 119.74 121.61 2kw4 s LYS 114 Ca 0.00 -0.07 -0.04 0.00 -0.36 0.00 0.00 55.97 55.50 2kw4 s LYS 114 Cb 0.00 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 2kw4 s LYS 114 CO 0.00 -0.49 0.05 0.14 -0.36 0.00 0.00 175.35 174.70 2kw4 s VAL 115 N 2.24 4.76 0.00 4.02 -7.23 -1.26 -4.39 120.40 118.54 2kw4 s VAL 115 Ca 0.17 -0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 2kw4 s VAL 115 Cb -0.16 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.75 2kw4 s VAL 115 CO 0.11 0.61 0.00 0.29 -0.31 0.00 0.00 175.10 175.80 2kw4 n LYS 116 N 2.11 0.00 0.00 4.82 5.02 -1.26 -4.62 118.16 124.23 2kw4 n LYS 116 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 2kw4 n LYS 116 Cb 0.54 -0.06 0.00 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 n ALA 117 N -1.55 0.00 -3.63 7.82 0.00 -1.26 -3.67 120.51 118.21 2kw4 n ALA 117 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2kw4 n ALA 117 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.03 0.00 0.00 5.04 -1.26 -3.51 115.29 115.53 2kw4 s HIS 118 Ca 0.00 -0.05 0.00 0.00 -1.54 0.00 0.00 55.06 53.47 2kw4 s HIS 118 Cb 0.00 0.54 0.00 0.00 0.04 0.00 0.00 32.58 33.16 2kw4 s HIS 118 CO 0.00 -0.21 0.00 0.45 -2.34 0.00 0.00 174.74 172.64 2kw4 n SER 119 N -0.53 1.43 0.00 9.88 2.88 -1.26 -4.89 113.62 121.13 2kw4 n SER 119 Ca -0.08 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 2kw4 n SER 119 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 2kw4 n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kw4 n GLY 120 N 3.58 4.29 0.24 0.46 0.00 -1.26 -4.81 105.19 107.70 2kw4 n GLY 120 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.71 1.61 3.02 -1.26 -4.90 115.26 113.01 2kw4 n ASN 121 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.61 2kw4 n ASN 121 Cb 0.00 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.34 2.90 -0.27 3.52 0.28 -1.26 -4.66 120.64 119.81 2kw4 n GLU 122 Ca 0.00 -2.21 0.09 0.00 -0.16 0.00 0.00 57.16 54.88 2kw4 n GLU 122 Cb 0.00 -1.38 0.23 0.00 1.43 0.00 0.00 31.44 31.72 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 2.07 0.36 -0.08 -1.84 -0.00 -1.90 -0.07 116.94 115.48 2kw4 h PHE 123 Ca 0.00 0.04 -0.24 0.00 -0.00 0.00 0.00 57.97 57.77 2kw4 h PHE 123 Cb 0.87 -0.03 0.02 0.00 -0.00 0.00 0.00 35.95 36.80 2kw4 h PHE 123 CO 0.29 -0.10 -0.90 -2.95 -0.00 0.00 0.00 178.31 174.65 2kw4 h ASN 124 N 0.29 0.93 -0.27 -0.68 -1.07 -1.84 -2.46 115.58 110.48 2kw4 h ASN 124 Ca 0.47 -0.68 0.08 0.00 0.07 0.00 0.00 56.30 56.24 2kw4 h ASN 124 Cb 0.86 -0.28 -0.01 0.00 -2.07 0.00 0.00 38.32 36.82 2kw4 h ASN 124 CO -0.55 1.47 0.34 0.44 0.07 0.00 0.00 177.43 179.20 2kw4 h ASP 125 N 0.46 0.00 -0.95 6.14 3.32 -1.24 -0.87 116.42 123.27 2kw4 h ASP 125 Ca -0.09 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.13 2kw4 h ASP 125 Cb 1.54 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 41.00 2kw4 h ASP 125 CO 0.18 0.00 0.60 0.22 -1.72 0.00 0.00 179.24 178.52 2kw4 h TYR 126 N 0.00 0.90 -0.06 4.55 5.03 -1.21 0.31 116.97 126.48 2kw4 h TYR 126 Ca 0.13 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.48 2kw4 h TYR 126 Cb 0.80 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.80 2kw4 h TYR 126 CO 0.00 0.27 0.21 -0.39 -1.32 0.00 0.00 178.16 176.93 2kw4 h VAL 127 N 0.70 0.12 -0.08 1.81 -1.51 -1.36 -1.49 116.25 114.44 2kw4 h VAL 127 Ca 0.51 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.97 2kw4 h VAL 127 Cb 0.85 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 2kw4 h VAL 127 CO -0.27 0.00 0.03 -0.78 -1.23 0.00 0.00 177.57 175.32 2kw4 h ASP 128 N 0.00 0.11 -0.23 4.19 1.82 -0.56 0.29 116.42 122.04 2kw4 h ASP 128 Ca 0.03 -0.19 -0.08 0.00 -0.39 0.00 0.00 57.03 56.40 2kw4 h ASP 128 Cb 0.45 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 2kw4 h ASP 128 CO -0.00 0.27 -0.15 -0.03 -1.61 0.00 0.00 179.24 177.72 2kw4 h MET 129 N -0.06 0.51 0.29 0.28 4.05 -1.41 -2.57 114.93 116.04 2kw4 h MET 129 Ca 0.03 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.19 2kw4 h MET 129 Cb 0.20 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2kw4 h MET 129 CO -0.00 0.80 -0.14 -0.22 0.23 0.00 0.00 176.91 177.58 2kw4 h LYS 130 N 0.22 -0.38 -0.79 0.39 3.11 -1.46 -2.70 116.57 114.96 2kw4 h LYS 130 Ca 0.05 0.03 0.18 0.00 -2.81 0.00 0.00 60.65 58.09 2kw4 h LYS 130 Cb 0.67 0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 31.93 2kw4 h LYS 130 CO 0.04 -0.17 0.53 0.00 -2.81 0.00 0.00 179.45 177.04 2kw4 h ALA 131 N 0.15 2.25 -0.82 5.00 0.00 -0.48 0.53 119.26 125.89 2kw4 h ALA 131 Ca -0.04 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.08 2kw4 h ALA 131 Cb 0.38 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2kw4 h ALA 131 CO 0.07 -0.48 0.57 -0.22 0.00 0.00 0.00 179.25 179.19 2kw4 h LYS 132 N 0.33 0.17 -0.00 0.00 3.64 -1.11 0.28 116.57 119.89 2kw4 h LYS 132 Ca 0.39 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.58 2kw4 h LYS 132 Cb 1.04 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2kw4 h LYS 132 CO -0.11 0.12 -0.82 0.66 -2.27 0.00 0.00 179.45 177.03 2kw4 h SER 133 N 0.18 0.14 -0.79 4.20 4.64 -0.96 -3.06 113.55 117.90 2kw4 h SER 133 Ca 0.41 -0.11 0.09 0.00 -0.47 0.00 0.00 61.79 61.71 2kw4 h SER 133 Cb 1.33 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 63.30 2kw4 h SER 133 CO -0.08 0.89 0.44 0.00 -0.87 0.00 0.00 176.83 177.21 2kw4 h ALA 134 N 1.10 1.11 -0.05 5.18 0.00 -0.45 -2.56 119.26 123.60 2kw4 h ALA 134 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2kw4 h ALA 134 Cb 1.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2kw4 h ALA 134 CO 0.12 0.06 -0.03 1.25 0.00 0.00 0.00 179.25 180.64 2kw4 h LEU 135 N 0.74 0.11 0.00 0.00 6.46 -1.56 -3.48 115.31 117.57 2kw4 h LEU 135 Ca 0.38 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2kw4 h LEU 135 Cb 0.36 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2kw4 h LEU 135 CO -0.25 0.52 0.00 0.61 -0.62 0.00 0.00 178.44 178.70 2kw4 n GLY 136 N 0.10 1.58 3.60 3.75 0.00 -0.96 -5.11 105.19 108.15 2kw4 n GLY 136 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2kw4 n GLY 136 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kw4 n ILE 137 N 0.00 2.37 -4.16 -0.61 2.08 -1.16 -5.00 119.36 112.88 2kw4 n ILE 137 Ca 0.00 -0.50 -0.24 0.00 0.56 0.00 0.00 62.75 62.57 2kw4 n ILE 137 Cb 0.00 -1.13 -0.06 0.00 -0.75 0.00 0.00 39.64 37.70 2kw4 n ILE 137 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kw4 s ARG 138 N -1.96 2.71 0.00 0.38 3.03 -1.26 -4.96 118.95 116.89 2kw4 s ARG 138 Ca 0.63 -1.09 0.00 0.00 2.03 0.00 0.00 55.73 57.30 2kw4 s ARG 138 Cb -0.57 -2.47 0.00 0.00 -1.03 0.00 0.00 34.95 30.88 2kw4 s ARG 138 CO 0.57 0.42 0.00 -3.47 -1.13 0.00 0.00 175.30 171.69 2kw4 n ASP 139 N -0.76 0.00 -2.91 -2.89 -0.08 -1.26 -5.13 116.55 103.53 2kw4 n ASP 139 Ca -0.08 -0.98 0.00 0.00 -1.51 0.00 0.00 54.79 52.22 2kw4 n ASP 139 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 2kw4 n ASP 139 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2kw4 s LEU 140 N 0.00 -0.85 0.00 -2.67 1.43 -1.26 -5.16 118.68 110.17 2kw4 s LEU 140 Ca 0.00 -0.56 -0.28 0.00 -1.03 0.00 0.00 54.13 52.26 2kw4 s LEU 140 Cb 0.00 1.09 0.09 0.00 0.03 0.00 0.00 46.19 47.41 2kw4 s LEU 140 CO 0.00 -0.08 1.27 -0.62 0.23 0.00 0.00 176.35 177.15 2kw4 n GLU 141 N 3.72 0.05 -3.82 1.70 1.02 -1.26 -5.19 120.64 116.86 2kw4 n GLU 141 Ca 0.09 -0.54 -0.06 0.00 -0.02 0.00 0.00 57.16 56.64 2kw4 n GLU 141 Cb 0.61 1.01 0.00 0.00 -0.02 0.00 0.00 31.44 33.04 2kw4 n GLU 141 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kw4 s HIS 142 N -2.02 -0.04 0.00 -0.32 -3.43 -1.26 -5.11 115.29 103.10 2kw4 s HIS 142 Ca 0.30 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.14 2kw4 s HIS 142 Cb -0.00 0.72 0.00 0.00 -1.43 0.00 0.00 32.58 31.87 2kw4 s HIS 142 CO -0.02 -1.15 0.00 1.58 -2.00 0.00 0.00 174.74 173.15 2kw4 n HIS 143 N -0.53 -1.11 -1.28 0.38 -0.00 -1.26 -5.18 115.22 106.25 2kw4 n HIS 143 Ca -0.06 0.00 0.16 0.00 0.46 0.00 0.00 57.72 58.28 2kw4 n HIS 143 Cb 0.60 0.22 -0.07 0.00 -0.12 0.00 0.00 29.99 30.62 2kw4 n HIS 143 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kw4 n HIS 144 N -1.67 -3.37 -3.71 1.57 -0.00 -1.26 -5.08 115.22 101.69 2kw4 n HIS 144 Ca 0.00 1.82 0.00 0.00 0.46 0.00 0.00 57.72 60.00 2kw4 n HIS 144 Cb 0.00 -3.07 0.00 0.00 -0.12 0.00 0.00 29.99 26.80 2kw4 n HIS 144 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kw4 n HIS 145 N -4.09 -0.33 0.00 1.57 -0.00 -1.26 -5.12 115.22 105.99 2kw4 n HIS 145 Ca -0.06 -0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.06 2kw4 n HIS 145 Cb 0.60 0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.50 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 -0.06 0.00 -0.57 1.57 8.25 -1.26 -5.38 115.22 117.77 2kw4 n HIS 146 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kw4 n HIS 146 Cb 0.04 0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.46 2kw4 n HIS 146 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56