#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 -0.12 -4.55 3.17 8.00 -1.26 -4.89 116.55 116.90 2kw4 n ASP 2 Ca 0.00 -1.43 -0.33 0.00 0.71 0.00 0.00 54.79 53.73 2kw4 n ASP 2 Cb 0.00 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2kw4 n ASP 2 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kw4 s ASP 3 N -0.49 4.58 -0.41 -2.24 -1.08 -1.26 -2.19 116.67 113.58 2kw4 s ASP 3 Ca 0.02 0.71 0.03 0.00 -0.52 0.00 0.00 52.55 52.79 2kw4 s ASP 3 Cb 0.02 -2.52 0.60 0.00 -1.46 0.00 0.00 42.92 39.57 2kw4 s ASP 3 CO -0.01 -2.89 1.84 -2.11 0.52 0.00 0.00 175.17 172.52 2kw4 n ARG 4 N 9.02 2.15 0.00 4.34 1.85 -1.26 -4.72 116.66 128.03 2kw4 n ARG 4 Ca 0.34 -2.74 0.00 0.00 -1.00 0.00 0.00 57.85 54.46 2kw4 n ARG 4 Cb 0.52 -2.07 0.00 0.00 -1.05 0.00 0.00 32.46 29.86 2kw4 n ARG 4 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2kw4 n THR 5 N -0.99 0.00 0.00 8.89 -2.24 -1.26 -4.74 114.28 113.94 2kw4 n THR 5 Ca 0.54 1.22 0.00 0.00 -2.27 0.00 0.00 64.05 63.55 2kw4 n THR 5 Cb 1.54 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 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 -1.48 0.00 -0.99 -0.78 2.13 -1.26 -4.85 120.64 113.40 2kw4 n GLU 6 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 2kw4 n GLU 6 Cb 0.00 0.00 0.09 0.00 0.27 0.00 0.00 31.44 31.80 2kw4 n GLU 6 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2kw4 n TYR 7 N 0.00 -1.67 -0.79 4.31 4.01 -1.26 -4.50 117.16 117.25 2kw4 n TYR 7 Ca 0.00 0.25 -0.33 0.00 -0.16 0.00 0.00 57.90 57.66 2kw4 n TYR 7 Cb 0.00 -1.79 0.12 0.00 -0.31 0.00 0.00 39.34 37.36 2kw4 n TYR 7 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2kw4 n ASP 8 N -0.35 -1.90 -4.83 7.72 2.03 -1.26 -4.60 116.55 113.35 2kw4 n ASP 8 Ca 0.07 0.34 -0.37 0.00 0.52 0.00 0.00 54.79 55.35 2kw4 n ASP 8 Cb 0.52 -1.23 -0.06 0.00 -0.72 0.00 0.00 41.12 39.64 2kw4 n ASP 8 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kw4 s VAL 9 N -2.41 4.85 -1.15 5.18 1.01 -1.26 -4.28 120.40 122.34 2kw4 s VAL 9 Ca 0.58 0.96 -0.22 0.00 0.00 0.00 0.00 61.98 63.30 2kw4 s VAL 9 Cb -0.21 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 2kw4 s VAL 9 CO 0.67 0.42 1.92 0.00 0.00 0.00 0.00 175.10 178.10 2kw4 n TYR 10 N 1.33 2.83 -4.73 5.22 9.36 -1.26 -4.87 117.16 125.03 2kw4 n TYR 10 Ca -0.09 -1.65 -0.32 0.00 3.32 0.00 0.00 57.90 59.16 2kw4 n TYR 10 Cb 0.51 -2.52 -0.08 0.00 -0.63 0.00 0.00 39.34 36.63 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 9.65 1.06 -0.72 2.97 -4.23 -1.26 -3.25 115.64 119.86 2kw4 s THR 11 Ca 0.66 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.14 2kw4 s THR 11 Cb 0.02 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 2kw4 s THR 11 CO 0.13 0.00 0.65 0.47 -0.54 0.00 0.00 174.62 175.33 2kw4 n ASP 12 N -1.28 -6.11 0.00 3.99 8.00 -1.13 -4.83 116.55 115.19 2kw4 n ASP 12 Ca -0.18 -0.34 0.12 0.00 0.71 0.00 0.00 54.79 55.11 2kw4 n ASP 12 Cb 0.67 -4.33 0.65 0.00 -0.02 0.00 0.00 41.12 38.08 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 -1.43 -0.99 7.00 0.44 0.00 -1.26 -4.75 105.19 104.20 2kw4 n GLY 13 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2kw4 n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kw4 n SER 14 N -1.20 -4.89 -4.92 1.61 2.88 -1.26 -4.85 113.62 101.00 2kw4 n SER 14 Ca 0.14 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.41 2kw4 n SER 14 Cb 0.16 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.65 2kw4 n SER 14 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2kw4 s TYR 15 N 0.00 3.19 -0.18 0.66 1.13 -1.26 -4.06 117.35 116.83 2kw4 s TYR 15 Ca 0.00 0.58 -0.05 0.00 -1.41 0.00 0.00 57.07 56.19 2kw4 s TYR 15 Cb 0.00 -2.78 0.06 0.00 -1.10 0.00 0.00 41.96 38.14 2kw4 s TYR 15 CO 0.00 -0.89 0.09 0.54 -2.51 0.00 0.00 175.55 172.79 2kw4 s VAL 16 N -3.00 -0.07 0.00 -3.49 0.11 -0.54 -4.97 120.40 108.44 2kw4 s VAL 16 Ca 0.55 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2kw4 s VAL 16 Cb -0.11 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 2kw4 s VAL 16 CO 0.45 -0.32 0.00 -3.20 -3.33 0.00 0.00 175.10 168.70 2kw4 n ASN 17 N 5.27 0.00 -0.51 3.54 2.85 -1.26 -2.01 115.26 123.14 2kw4 n ASN 17 Ca -0.07 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.40 2kw4 n ASN 17 Cb 0.48 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 3.49 8.20 0.00 -1.26 -5.14 105.19 111.43 2kw4 n GLY 18 Ca 0.00 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.82 -0.02 1.61 -0.21 -0.85 -5.16 119.66 116.84 2kw4 s GLN 19 Ca 0.00 -2.07 0.02 0.00 0.02 0.00 0.00 55.36 53.33 2kw4 s GLN 19 Cb 0.00 -0.73 0.01 0.00 1.00 0.00 0.00 33.01 33.29 2kw4 s GLN 19 CO -0.00 -0.36 -0.07 1.52 -2.12 0.00 0.00 175.29 174.26 2kw4 s TYR 20 N -3.25 0.78 0.23 0.91 1.13 -1.26 -1.47 117.35 114.42 2kw4 s TYR 20 Ca 0.28 -0.19 -0.04 0.00 -1.41 0.00 0.00 57.07 55.72 2kw4 s TYR 20 Cb 0.05 -0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 40.30 2kw4 s TYR 20 CO 0.14 -0.10 0.25 0.00 -2.51 0.00 0.00 175.55 173.33 2kw4 s ALA 21 N 0.29 0.83 -0.02 9.51 0.00 -1.26 -0.94 121.76 130.18 2kw4 s ALA 21 Ca -0.04 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.42 2kw4 s ALA 21 Cb -0.09 1.30 0.02 0.00 0.00 0.00 0.00 23.12 24.36 2kw4 s ALA 21 CO 0.00 -0.67 0.01 1.67 0.00 0.00 0.00 175.76 176.77 2kw4 s TRP 22 N -4.03 0.10 0.27 0.00 -2.14 -0.88 -3.97 118.94 108.30 2kw4 s TRP 22 Ca 0.34 0.07 0.03 0.00 2.66 0.00 0.00 56.10 59.20 2kw4 s TRP 22 Cb 0.04 -0.23 -0.06 0.00 -3.10 0.00 0.00 33.47 30.13 2kw4 s TRP 22 CO 0.13 -0.08 0.06 0.00 -2.66 0.00 0.00 176.95 174.40 2kw4 s ALA 23 N 0.79 1.93 -0.11 2.67 0.00 -1.26 -2.96 121.76 122.82 2kw4 s ALA 23 Ca -0.07 -1.89 -0.30 0.00 0.00 0.00 0.00 51.96 49.70 2kw4 s ALA 23 Cb -0.10 0.77 0.08 0.00 0.00 0.00 0.00 23.12 23.87 2kw4 s ALA 23 CO -0.02 -0.35 0.75 1.52 0.00 0.00 0.00 175.76 177.66 2kw4 s TYR 24 N -3.52 -0.63 -0.46 0.00 -0.85 -1.20 -4.11 117.35 106.58 2kw4 s TYR 24 Ca 0.35 1.18 -0.17 0.00 -0.52 0.00 0.00 57.07 57.91 2kw4 s TYR 24 Cb 0.07 0.39 0.05 0.00 0.38 0.00 0.00 41.96 42.85 2kw4 s TYR 24 CO 0.13 -0.52 0.45 0.00 -1.52 0.00 0.00 175.55 174.10 2kw4 s ALA 25 N -0.87 3.47 -0.12 9.51 0.00 -1.24 -4.72 121.76 127.80 2kw4 s ALA 25 Ca -0.07 -1.79 -0.07 0.00 0.00 0.00 0.00 51.96 50.03 2kw4 s ALA 25 Cb -0.01 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2kw4 s ALA 25 CO 0.07 -1.72 0.13 -0.06 0.00 0.00 0.00 175.76 174.17 2kw4 s PHE 26 N 2.04 3.56 -0.02 0.00 0.40 -1.22 -4.71 117.98 118.04 2kw4 s PHE 26 Ca 0.09 0.50 0.01 0.00 -0.60 0.00 0.00 56.93 56.93 2kw4 s PHE 26 Cb -0.20 -1.93 0.01 0.00 0.51 0.00 0.00 43.02 41.42 2kw4 s PHE 26 CO 0.10 0.72 -0.02 0.08 0.70 0.00 0.00 175.22 176.80 2kw4 s VAL 27 N -1.02 0.26 -0.04 -0.44 1.01 -1.26 -2.04 120.40 116.86 2kw4 s VAL 27 Ca 0.15 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2kw4 s VAL 27 Cb -0.12 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.98 2kw4 s VAL 27 CO 0.04 0.12 -0.12 -0.54 0.00 0.00 0.00 175.10 174.60 2kw4 s LYS 28 N 0.53 1.43 -0.28 2.72 -0.14 0.97 -4.71 119.74 120.26 2kw4 s LYS 28 Ca -0.05 -0.42 0.00 0.00 -1.36 0.00 0.00 55.97 54.14 2kw4 s LYS 28 Cb -0.08 -1.25 0.00 0.00 -1.68 0.00 0.00 37.83 34.82 2kw4 s LYS 28 CO -0.01 0.12 0.00 -3.47 -0.76 0.00 0.00 175.35 171.23 2kw4 n ASP 29 N 3.45 -4.81 0.00 2.83 -0.08 -1.26 -2.05 116.55 114.63 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 -2.54 0.00 0.00 2.34 0.00 0.00 41.12 41.45 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 0.96 3.25 0.27 0.00 -0.93 -4.13 105.19 103.93 2kw4 n GLY 30 Ca -0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.69 0.93 0.00 1.61 -2.85 -0.87 -4.84 119.74 112.03 2kw4 s LYS 31 Ca 0.00 -0.86 -0.34 0.00 -1.00 0.00 0.00 55.97 53.77 2kw4 s LYS 31 Cb 0.00 0.39 -0.13 0.00 -2.06 0.00 0.00 37.83 36.04 2kw4 s LYS 31 CO 0.00 -0.33 1.77 0.28 0.10 0.00 0.00 175.35 177.17 2kw4 n VAL 32 N -0.13 0.37 -0.07 1.79 0.31 -1.26 -0.02 118.33 119.32 2kw4 n VAL 32 Ca -0.15 -0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 63.96 2kw4 n VAL 32 Cb 0.63 -1.75 -0.05 0.00 -0.91 0.00 0.00 33.84 31.77 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 5.47 0.00 -4.20 3.52 -0.00 -0.87 -4.75 115.22 114.39 2kw4 n HIS 33 Ca 0.21 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.21 2kw4 n HIS 33 Cb 0.29 -0.52 -0.11 0.00 -0.12 0.00 0.00 29.99 29.53 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 -2.39 1.29 -0.30 1.57 2.02 -1.22 -5.02 117.35 113.30 2kw4 s TYR 34 Ca -0.22 -0.52 -0.14 0.00 -0.37 0.00 0.00 57.07 55.82 2kw4 s TYR 34 Cb 0.07 -0.70 0.19 0.00 -0.40 0.00 0.00 41.96 41.12 2kw4 s TYR 34 CO 0.29 0.09 1.16 -1.83 -1.57 0.00 0.00 175.55 173.69 2kw4 s GLU 35 N -2.23 0.01 0.00 -0.62 -1.05 -1.26 -3.39 118.70 110.16 2kw4 s GLU 35 Ca 0.03 -0.00 0.00 0.00 -0.15 0.00 0.00 54.97 54.85 2kw4 s GLU 35 Cb -0.07 0.00 0.00 0.00 -0.44 0.00 0.00 34.13 33.62 2kw4 s GLU 35 CO 0.02 -0.02 0.00 -3.47 0.95 0.00 0.00 175.26 172.74 2kw4 n ASP 36 N 3.80 0.00 -1.16 0.83 2.03 -1.26 -5.15 116.55 115.64 2kw4 n ASP 36 Ca 0.05 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.51 2kw4 n ASP 36 Cb 0.64 0.04 -0.07 0.00 -0.72 0.00 0.00 41.12 41.01 2kw4 n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kw4 n ALA 37 N -1.74 -3.03 -2.43 -1.67 0.00 -1.26 -5.03 120.51 105.34 2kw4 n ALA 37 Ca 0.00 0.66 -0.09 0.00 0.00 0.00 0.00 53.44 54.02 2kw4 n ALA 37 Cb 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 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 -6.71 0.21 0.18 0.00 1.01 -1.15 -5.04 116.67 105.17 2kw4 s ASP 38 Ca 0.00 -0.84 0.06 0.00 0.71 0.00 0.00 52.55 52.48 2kw4 s ASP 38 Cb 0.00 0.32 -0.04 0.00 1.01 0.00 0.00 42.92 44.21 2kw4 s ASP 38 CO 0.00 -0.73 0.07 -0.69 0.21 0.00 0.00 175.17 174.02 2kw4 s VAL 39 N -3.92 4.06 0.48 -1.27 1.01 -1.26 -2.06 120.40 117.44 2kw4 s VAL 39 Ca 0.10 -1.31 0.05 0.00 0.00 0.00 0.00 61.98 60.82 2kw4 s VAL 39 Cb 0.06 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 2kw4 s VAL 39 CO -0.07 -0.14 0.20 -0.83 0.00 0.00 0.00 175.10 174.26 2kw4 s GLY 40 N -3.11 2.54 -0.41 4.51 0.00 -0.11 -4.98 107.32 105.76 2kw4 s GLY 40 Ca 0.29 -1.38 0.06 0.00 0.00 0.00 0.00 44.72 43.70 2kw4 s GLY 40 CO 0.21 -2.01 1.23 0.58 0.00 0.00 0.00 173.10 173.11 2kw4 n LYS 41 N -1.40 0.90 -4.30 2.90 0.00 -1.26 -4.51 118.16 110.49 2kw4 n LYS 41 Ca -0.06 -1.64 -0.19 0.00 -0.00 0.00 0.00 58.31 56.41 2kw4 n LYS 41 Cb 0.65 -0.51 -0.11 0.00 -0.00 0.00 0.00 35.03 35.06 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 -1.02 2.38 0.11 -5.58 -0.87 -1.26 -5.05 114.94 103.64 2kw4 s ASN 42 Ca 0.20 -0.89 -0.14 0.00 -1.57 0.00 0.00 52.86 50.46 2kw4 s ASN 42 Cb 0.31 -0.12 -0.08 0.00 -0.02 0.00 0.00 41.25 41.34 2kw4 s ASN 42 CO -0.08 -0.12 1.43 1.55 -2.57 0.00 0.00 177.10 177.32 2kw4 h PRO 43 N 3.16 0.73 -0.53 -0.60 0.13 -2.01 0.24 132.00 133.13 2kw4 h PRO 43 Ca -0.40 -0.38 0.16 0.00 -0.87 0.00 0.00 66.00 64.50 2kw4 h PRO 43 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2kw4 h PRO 43 CO 0.54 1.00 0.47 0.00 -0.23 0.00 0.00 178.00 179.79 2kw4 h ALA 44 N 0.72 2.35 0.00 -0.56 0.00 -2.00 0.14 119.26 119.91 2kw4 h ALA 44 Ca 0.05 -0.02 -0.40 0.00 0.00 0.00 0.00 54.91 54.54 2kw4 h ALA 44 Cb 0.86 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2kw4 h ALA 44 CO 0.07 -0.75 -2.41 0.00 0.00 0.00 0.00 179.25 176.16 2kw4 n ALA 45 N -2.48 1.40 0.26 0.00 0.00 -1.14 -4.39 120.51 114.15 2kw4 n ALA 45 Ca 0.10 -1.03 0.17 0.00 0.00 0.00 0.00 53.44 52.68 2kw4 n ALA 45 Cb 0.69 0.06 0.91 0.00 0.00 0.00 0.00 19.45 21.11 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 -0.50 1.58 -0.25 0.00 0.00 -0.15 -0.65 119.26 119.29 2kw4 h ALA 46 Ca -0.60 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 2kw4 h ALA 46 Cb 1.69 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 2kw4 h ALA 46 CO -0.26 -0.19 0.02 0.00 0.00 0.00 0.00 179.25 178.82 2kw4 h THR 47 N 0.00 1.15 -0.05 0.00 1.03 -0.94 -0.92 112.91 113.18 2kw4 h THR 47 Ca 0.05 -0.56 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 2kw4 h THR 47 Cb 0.32 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 68.34 2kw4 h THR 47 CO -0.00 0.19 0.00 0.23 -0.01 0.00 0.00 175.52 175.93 2kw4 n MET 48 N -4.35 1.62 0.00 0.00 2.81 -0.26 -4.96 117.12 111.99 2kw4 n MET 48 Ca 0.01 -0.91 0.00 0.00 -1.81 0.00 0.00 57.70 54.98 2kw4 n MET 48 Cb 0.19 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 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 0.11 0.00 0.00 0.03 1.74 -0.35 -2.28 116.66 115.91 2kw4 n ARG 49 Ca 0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2kw4 n ARG 49 Cb 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 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 2.57 0.73 -0.24 0.55 0.23 -1.26 -4.67 115.26 113.16 2kw4 n ASN 50 Ca 0.00 0.00 0.31 0.00 -0.53 0.00 0.00 54.58 54.36 2kw4 n ASN 50 Cb 0.00 0.07 0.72 0.00 -2.08 0.00 0.00 39.78 38.49 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 0.50 0.15 3.53 2.07 -1.79 0.19 116.25 120.90 2kw4 h VAL 51 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2kw4 h VAL 51 Cb 0.15 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2kw4 h VAL 51 CO 0.00 0.01 -0.07 0.00 0.02 0.00 0.00 177.57 177.52 2kw4 h ALA 52 N 1.50 -0.21 -0.30 1.67 0.00 -1.78 -3.11 119.26 117.04 2kw4 h ALA 52 Ca 0.49 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.34 2kw4 h ALA 52 Cb 1.90 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.73 2kw4 h ALA 52 CO -0.02 -0.20 0.06 0.78 0.00 0.00 0.00 179.25 179.86 2kw4 h GLY 53 N -1.03 0.34 0.33 0.00 0.00 -1.60 0.56 103.07 101.67 2kw4 h GLY 53 Ca -0.02 -0.02 0.16 0.00 0.00 0.00 0.00 47.33 47.45 2kw4 h GLY 53 CO 0.03 -0.02 0.61 1.05 0.00 0.00 0.00 176.54 178.22 2kw4 h GLU 54 N 0.17 0.78 0.01 4.80 4.11 -0.79 0.08 114.58 123.74 2kw4 h GLU 54 Ca 0.14 -0.05 -0.19 0.00 0.07 0.00 0.00 59.36 59.33 2kw4 h GLU 54 Cb 0.15 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2kw4 h GLU 54 CO -0.19 0.52 -0.87 0.82 0.07 0.00 0.00 179.01 179.36 2kw4 h ILE 55 N 0.81 1.52 -1.07 -1.06 2.04 -1.28 -2.98 117.51 115.48 2kw4 h ILE 55 Ca 0.52 -2.68 0.30 0.00 1.00 0.00 0.00 64.86 64.00 2kw4 h ILE 55 Cb 0.75 2.49 -0.06 0.00 -0.74 0.00 0.00 36.82 39.26 2kw4 h ILE 55 CO -0.29 0.78 0.75 0.00 0.00 0.00 0.00 178.15 179.38 2kw4 h ALA 56 N 1.01 2.78 -0.32 1.87 0.00 0.12 -0.52 119.26 124.20 2kw4 h ALA 56 Ca -0.04 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2kw4 h ALA 56 Cb 1.51 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 2kw4 h ALA 56 CO 0.13 -1.12 -0.14 0.00 0.00 0.00 0.00 179.25 178.12 2kw4 h ALA 57 N 1.51 0.12 -0.90 0.00 0.00 -1.54 -1.21 119.26 117.23 2kw4 h ALA 57 Ca 0.54 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.69 2kw4 h ALA 57 Cb 1.90 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 19.96 2kw4 h ALA 57 CO -0.10 -0.53 0.52 0.00 0.00 0.00 0.00 179.25 179.15 2kw4 h ALA 58 N 1.17 1.34 0.06 0.00 0.00 -1.31 0.42 119.26 120.94 2kw4 h ALA 58 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2kw4 h ALA 58 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kw4 h ALA 58 CO -0.38 0.09 -0.13 -0.07 0.00 0.00 0.00 179.25 178.77 2kw4 h LEU 59 N 0.82 -0.38 -1.33 0.00 3.38 -1.25 0.14 115.31 116.70 2kw4 h LEU 59 Ca 0.46 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.43 2kw4 h LEU 59 Cb 0.50 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2kw4 h LEU 59 CO -0.29 -0.15 0.12 1.88 0.09 0.00 0.00 178.44 180.10 2kw4 h TYR 60 N -0.20 0.58 -0.64 1.13 -1.99 -1.33 -0.86 116.97 113.66 2kw4 h TYR 60 Ca -0.01 -0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.74 2kw4 h TYR 60 Cb 0.20 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 38.70 2kw4 h TYR 60 CO -0.26 0.49 0.36 0.00 -0.00 0.00 0.00 178.16 178.74 2kw4 h ALA 61 N 1.56 0.84 0.01 3.88 0.00 0.20 0.03 119.26 125.79 2kw4 h ALA 61 Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2kw4 h ALA 61 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kw4 h ALA 61 CO -0.01 0.04 -0.19 0.28 0.00 0.00 0.00 179.25 179.37 2kw4 h VAL 62 N 0.67 1.60 -0.77 0.00 2.07 -0.33 -2.17 116.25 117.33 2kw4 h VAL 62 Ca 0.28 -2.02 0.15 0.00 0.82 0.00 0.00 66.70 65.93 2kw4 h VAL 62 Cb 0.15 2.91 -0.10 0.00 -1.52 0.00 0.00 31.29 32.73 2kw4 h VAL 62 CO -0.16 0.54 0.32 0.11 0.02 0.00 0.00 177.57 178.40 2kw4 h LYS 63 N -0.63 0.45 -0.01 1.57 1.57 -1.03 0.38 116.57 118.87 2kw4 h LYS 63 Ca -0.03 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 2kw4 h LYS 63 Cb 0.99 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 2kw4 h LYS 63 CO 0.04 0.30 -0.74 0.87 -0.57 0.00 0.00 179.45 179.34 2kw4 h LYS 64 N 0.46 0.07 -0.91 3.15 1.79 -1.07 -3.16 116.57 116.90 2kw4 h LYS 64 Ca 0.42 -0.06 0.24 0.00 -2.18 0.00 0.00 60.65 59.08 2kw4 h LYS 64 Cb 0.65 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.26 2kw4 h LYS 64 CO -0.40 0.78 0.63 0.00 -1.08 0.00 0.00 179.45 179.37 2kw4 h ALA 65 N 1.20 2.60 -0.00 3.86 0.00 -0.23 0.28 119.26 126.97 2kw4 h ALA 65 Ca -0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2kw4 h ALA 65 Cb 1.31 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2kw4 h ALA 65 CO 0.10 -0.87 -0.88 1.03 0.00 0.00 0.00 179.25 178.63 2kw4 h SER 66 N 0.16 0.35 -0.26 0.00 0.87 -1.48 -1.41 113.55 111.78 2kw4 h SER 66 Ca 0.45 -0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2kw4 h SER 66 Cb 1.52 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.36 2kw4 h SER 66 CO -0.08 1.07 0.08 1.56 -0.53 0.00 0.00 176.83 178.94 2kw4 h GLN 67 N 0.16 0.48 -0.23 2.24 4.20 -0.55 -1.25 115.11 120.16 2kw4 h GLN 67 Ca -0.05 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2kw4 h GLN 67 Cb 1.51 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.20 2kw4 h GLN 67 CO 0.14 0.44 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 2kw4 n LEU 68 N -4.36 2.46 -1.49 1.46 4.32 -1.00 -4.92 117.00 113.47 2kw4 n LEU 68 Ca 0.02 -1.01 -0.19 0.00 -0.02 0.00 0.00 56.01 54.81 2kw4 n LEU 68 Cb 0.17 -0.14 -0.08 0.00 -1.62 0.00 0.00 43.42 41.75 2kw4 n LEU 68 CO 0.37 0.50 -0.18 0.61 -1.22 0.00 0.00 177.39 177.48 2kw4 n GLY 69 N 1.30 1.77 0.71 -0.72 0.00 -0.47 -4.94 105.19 102.83 2kw4 n GLY 69 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.27 0.00 -3.91 1.61 0.24 -0.56 -5.01 118.33 108.44 2kw4 n VAL 70 Ca -0.19 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 2kw4 n VAL 70 Cb 0.63 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.69 0.76 -3.96 7.34 4.01 -1.26 -4.39 118.16 119.97 2kw4 n LYS 71 Ca -0.01 0.00 -0.18 0.00 -0.51 0.00 0.00 58.31 57.61 2kw4 n LYS 71 Cb 0.12 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.57 2kw4 n LYS 71 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 2kw4 n ILE 72 N 0.00 0.00 -1.58 -0.18 -5.35 -1.26 -5.03 119.36 105.96 2kw4 n ILE 72 Ca 0.00 -2.09 -0.39 0.00 -0.27 0.00 0.00 62.75 60.00 2kw4 n ILE 72 Cb 0.00 0.98 0.04 0.00 -1.74 0.00 0.00 39.64 38.92 2kw4 n ILE 72 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2kw4 n ARG 73 N -0.60 0.94 0.00 6.28 0.00 -1.26 -4.75 116.66 117.26 2kw4 n ARG 73 Ca 0.04 0.35 0.00 0.00 -0.00 0.00 0.00 57.85 58.24 2kw4 n ARG 73 Cb 0.52 -2.01 0.00 0.00 -0.00 0.00 0.00 32.46 30.97 2kw4 n ARG 73 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2kw4 n ILE 74 N -1.33 0.00 -0.18 8.89 0.13 -1.26 -4.69 119.36 120.92 2kw4 n ILE 74 Ca 0.12 0.00 -0.01 0.00 -1.10 0.00 0.00 62.75 61.76 2kw4 n ILE 74 Cb 0.45 0.00 0.07 0.00 -0.84 0.00 0.00 39.64 39.32 2kw4 n ILE 74 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 2kw4 h LEU 75 N 0.00 -0.27 -5.04 9.51 7.12 -1.92 -3.36 115.31 121.35 2kw4 h LEU 75 Ca 0.00 0.14 -0.25 0.00 0.13 0.00 0.00 57.88 57.90 2kw4 h LEU 75 Cb 0.00 0.25 -0.18 0.00 -0.53 0.00 0.00 40.66 40.19 2kw4 h LEU 75 CO 0.00 -0.10 -0.49 1.41 -0.13 0.00 0.00 178.44 179.13 2kw4 n HIS 76 N -5.27 -2.14 0.13 1.25 8.25 -1.26 -5.01 115.22 111.18 2kw4 n HIS 76 Ca 0.07 -2.14 -0.06 0.00 -0.26 0.00 0.00 57.72 55.33 2kw4 n HIS 76 Cb 0.30 1.35 -0.03 0.00 1.12 0.00 0.00 29.99 32.73 2kw4 n HIS 76 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2kw4 h ASP 77 N 2.40 -0.35 -2.09 0.41 3.58 -1.91 -3.47 116.42 115.00 2kw4 h ASP 77 Ca -0.20 0.01 -0.35 0.00 0.42 0.00 0.00 57.03 56.91 2kw4 h ASP 77 Cb 1.22 0.09 -0.09 0.00 1.72 0.00 0.00 39.33 42.27 2kw4 h ASP 77 CO 0.06 0.05 -0.37 0.00 -2.88 0.00 0.00 179.24 176.10 2kw4 n TYR 78 N -4.75 -0.60 -0.47 0.28 9.36 -1.26 -4.94 117.16 114.78 2kw4 n TYR 78 Ca -0.05 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.00 2kw4 n TYR 78 Cb 0.16 -3.22 0.15 0.00 -0.63 0.00 0.00 39.34 35.81 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2kw4 n ALA 79 N -0.31 -2.45 -0.27 2.98 0.00 -1.26 -4.73 120.51 114.47 2kw4 n ALA 79 Ca -0.19 -0.89 0.12 0.00 0.00 0.00 0.00 53.44 52.49 2kw4 n ALA 79 Cb 0.60 -0.07 0.38 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.12 1.21 0.10 0.00 0.00 -1.58 -0.27 103.07 100.41 2kw4 h GLY 80 Ca -0.23 -0.30 0.25 0.00 0.00 0.00 0.00 47.33 47.06 2kw4 h GLY 80 CO 0.14 0.08 0.66 -2.22 0.00 0.00 0.00 176.54 175.20 2kw4 h ILE 81 N 0.68 0.57 0.07 2.60 1.08 -1.89 0.26 117.51 120.87 2kw4 h ILE 81 Ca 0.45 -0.07 -0.25 0.00 -0.39 0.00 0.00 64.86 64.61 2kw4 h ILE 81 Cb 0.75 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 2kw4 h ILE 81 CO -0.21 0.04 -1.10 0.00 -0.69 0.00 0.00 178.15 176.19 2kw4 h ALA 82 N 1.57 0.24 0.06 1.87 0.00 -1.33 -2.57 119.26 119.11 2kw4 h ALA 82 Ca 0.49 -0.83 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2kw4 h ALA 82 Cb 1.57 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 2kw4 h ALA 82 CO -0.12 0.96 -0.31 0.74 0.00 0.00 0.00 179.25 180.52 2kw4 h PHE 83 N 0.10 -0.85 -0.06 0.00 0.04 -0.41 -2.26 116.94 113.50 2kw4 h PHE 83 Ca -0.10 0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.55 2kw4 h PHE 83 Cb 1.80 0.37 -0.01 0.00 2.20 0.00 0.00 35.95 40.30 2kw4 h PHE 83 CO 0.05 -0.41 -0.62 2.35 -0.60 0.00 0.00 178.31 179.08 2kw4 h TRP 84 N -0.50 0.28 -0.58 -0.55 7.01 -1.62 -3.03 115.95 116.96 2kw4 h TRP 84 Ca 0.04 -0.11 0.17 0.00 2.11 0.00 0.00 58.89 61.10 2kw4 h TRP 84 Cb 0.56 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 2kw4 h TRP 84 CO -0.31 0.77 0.42 0.00 -2.79 0.00 0.00 178.44 176.54 2kw4 h ALA 85 N 1.20 2.52 0.00 2.65 0.00 -0.99 0.26 119.26 124.90 2kw4 h ALA 85 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2kw4 h ALA 85 Cb 1.12 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kw4 h ALA 85 CO 0.09 -0.72 -0.12 1.79 0.00 0.00 0.00 179.25 180.29 2kw4 h THR 86 N 0.00 0.56 -0.20 0.00 1.35 -1.29 -3.36 112.91 109.97 2kw4 h THR 86 Ca 0.27 -0.54 -0.62 0.00 -0.55 0.00 0.00 66.41 64.98 2kw4 h THR 86 Cb 1.12 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 2kw4 h THR 86 CO -0.00 0.12 2.35 0.61 -0.25 0.00 0.00 175.52 178.34 2kw4 n GLY 87 N -0.68 2.88 0.35 5.82 0.00 0.92 -4.70 105.19 109.79 2kw4 n GLY 87 Ca -0.02 -1.30 0.18 0.00 0.00 0.00 0.00 46.02 44.88 2kw4 n GLY 87 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kw4 h GLU 88 N 7.56 0.00 -5.15 1.61 5.08 -1.83 -3.27 114.58 118.58 2kw4 h GLU 88 Ca 0.44 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 58.17 2kw4 h GLU 88 Cb 0.73 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.83 2kw4 h GLU 88 CO 1.75 0.00 -0.20 -1.58 -1.00 0.00 0.00 179.01 177.97 2kw4 s TRP 89 N -4.66 3.24 -1.00 4.33 0.52 -1.26 -4.80 118.94 115.31 2kw4 s TRP 89 Ca -0.05 0.35 -0.23 0.00 0.02 0.00 0.00 56.10 56.19 2kw4 s TRP 89 Cb 0.16 -2.63 -0.00 0.00 -1.15 0.00 0.00 33.47 29.84 2kw4 s TRP 89 CO 0.56 -0.29 1.73 -1.59 0.02 0.00 0.00 176.95 177.38 2kw4 s LYS 90 N 2.12 3.06 -0.11 4.98 -2.85 -1.26 -4.69 119.74 120.99 2kw4 s LYS 90 Ca 0.15 -0.81 -0.28 0.00 -1.00 0.00 0.00 55.97 54.03 2kw4 s LYS 90 Cb -0.16 -5.23 -0.25 0.00 -2.06 0.00 0.00 37.83 30.14 2kw4 s LYS 90 CO 0.10 -2.88 0.89 0.00 0.10 0.00 0.00 175.35 173.56 2kw4 h ALA 91 N 10.31 0.00 0.08 0.59 0.00 -1.91 -3.39 119.26 124.95 2kw4 h ALA 91 Ca 0.17 -0.44 -0.34 0.00 0.00 0.00 0.00 54.91 54.30 2kw4 h ALA 91 Cb 0.99 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2kw4 h ALA 91 CO 1.32 -0.05 -1.89 1.63 0.00 0.00 0.00 179.25 180.25 2kw4 n LYS 92 N -4.66 0.70 0.00 0.00 5.02 -1.26 -4.96 118.16 113.00 2kw4 n LYS 92 Ca -0.10 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2kw4 n LYS 92 Cb 0.43 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2kw4 n LYS 92 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2kw4 n ASN 93 N -3.70 0.00 0.00 4.39 2.85 -1.26 -4.83 115.26 112.70 2kw4 n ASN 93 Ca -0.34 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.13 2kw4 n ASN 93 Cb 0.96 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.98 2kw4 n ASN 93 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2kw4 n GLU 94 N 0.00 0.00 -0.10 1.20 4.07 -1.26 -0.61 120.64 123.93 2kw4 n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2kw4 n GLU 94 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2kw4 n GLU 94 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2kw4 n PHE 95 N 0.00 0.00 0.08 4.31 -0.00 -1.26 -4.88 117.46 115.72 2kw4 n PHE 95 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.36 2kw4 n PHE 95 Cb 0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 39.48 39.52 2kw4 n PHE 95 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2kw4 h THR 96 N 3.69 1.50 -0.65 -2.13 2.02 -1.17 -3.28 112.91 112.90 2kw4 h THR 96 Ca 0.00 -2.64 0.12 0.00 0.77 0.00 0.00 66.41 64.66 2kw4 h THR 96 Cb 1.05 2.48 -0.09 0.00 -1.74 0.00 0.00 68.15 69.85 2kw4 h THR 96 CO 0.00 0.77 0.17 -0.61 0.37 0.00 0.00 175.52 176.22 2kw4 h GLN 97 N 0.10 0.29 -0.62 6.66 4.15 -1.69 -0.88 115.11 123.12 2kw4 h GLN 97 Ca -0.04 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.38 2kw4 h GLN 97 Cb 1.51 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 29.10 2kw4 h GLN 97 CO 0.13 0.19 0.39 0.00 -1.93 0.00 0.00 178.83 177.62 2kw4 h ALA 98 N 1.51 0.80 -0.87 3.38 0.00 -1.86 -1.88 119.26 120.34 2kw4 h ALA 98 Ca 0.35 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.42 2kw4 h ALA 98 Cb 0.52 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2kw4 h ALA 98 CO -0.41 0.16 0.58 1.88 0.00 0.00 0.00 179.25 181.45 2kw4 h TYR 99 N 0.78 0.56 0.00 0.00 0.05 -1.26 0.32 116.97 117.42 2kw4 h TYR 99 Ca 0.24 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.93 2kw4 h TYR 99 Cb -0.01 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 2kw4 h TYR 99 CO -0.05 0.17 -0.53 0.00 -1.05 0.00 0.00 178.16 176.71 2kw4 h ALA 100 N 1.62 1.02 -0.05 3.88 0.00 -1.06 -3.19 119.26 121.47 2kw4 h ALA 100 Ca 0.45 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2kw4 h ALA 100 Cb 1.06 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2kw4 h ALA 100 CO -0.17 0.66 -0.50 0.87 0.00 0.00 0.00 179.25 180.10 2kw4 h LYS 101 N 0.00 0.43 -0.06 0.00 1.57 -0.22 -3.11 116.57 115.19 2kw4 h LYS 101 Ca -0.01 -0.40 0.02 0.00 -1.87 0.00 0.00 60.65 58.40 2kw4 h LYS 101 Cb 0.99 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 2kw4 h LYS 101 CO 0.07 1.04 0.31 -0.07 -0.57 0.00 0.00 179.45 180.23 2kw4 h LEU 102 N -0.04 0.00 0.06 2.94 3.38 -1.24 -2.72 115.31 117.69 2kw4 h LEU 102 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kw4 h LEU 102 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2kw4 h LEU 102 CO 0.10 0.00 -0.23 -0.03 0.09 0.00 0.00 178.44 178.37 2kw4 h MET 103 N 0.00 -0.32 -0.32 1.13 4.05 -1.58 -1.63 114.93 116.25 2kw4 h MET 103 Ca 0.03 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.53 2kw4 h MET 103 Cb 0.65 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 2kw4 h MET 103 CO -0.00 -0.21 0.22 -0.97 0.23 0.00 0.00 176.91 176.18 2kw4 h ASN 104 N -0.33 0.16 -0.35 1.39 -1.24 -1.69 0.29 115.58 113.80 2kw4 h ASN 104 Ca -0.00 -0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.07 2kw4 h ASN 104 Cb 0.33 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.28 2kw4 h ASN 104 CO -0.12 0.10 -0.05 -0.61 -1.29 0.00 0.00 177.43 175.46 2kw4 h GLN 105 N 0.18 0.03 -0.25 6.67 -0.00 -1.31 -2.63 115.11 117.79 2kw4 h GLN 105 Ca 0.14 -0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.69 2kw4 h GLN 105 Cb 0.35 -0.01 -0.06 0.00 0.00 0.00 0.00 27.48 27.76 2kw4 h GLN 105 CO -0.02 0.02 -0.12 2.48 0.00 0.00 0.00 178.83 181.19 2kw4 n TYR 106 N -5.24 0.81 -2.64 3.99 0.18 -0.82 -5.02 117.16 108.42 2kw4 n TYR 106 Ca 0.01 -1.41 -0.42 0.00 1.88 0.00 0.00 57.90 57.96 2kw4 n TYR 106 Cb 0.19 -0.40 -0.03 0.00 -0.38 0.00 0.00 39.34 38.73 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 -3.14 4.49 0.00 -3.48 3.00 0.95 -4.34 118.95 116.44 2kw4 s ARG 107 Ca 0.42 1.49 0.00 0.00 -1.00 0.00 0.00 55.73 56.64 2kw4 s ARG 107 Cb 0.38 -3.47 0.00 0.00 0.00 0.00 0.00 34.95 31.86 2kw4 s ARG 107 CO 0.01 -0.18 0.00 0.41 0.00 0.00 0.00 175.30 175.54 2kw4 n GLY 108 N 3.04 0.38 0.08 8.12 0.00 -1.26 -4.98 105.19 110.56 2kw4 n GLY 108 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 1.01 -4.57 -0.61 -0.00 -1.26 -5.05 119.36 108.88 2kw4 n ILE 109 Ca 0.00 -0.55 -0.27 0.00 -0.00 0.00 0.00 62.75 61.93 2kw4 n ILE 109 Cb 0.00 -0.79 -0.08 0.00 -0.00 0.00 0.00 39.64 38.77 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 -2.36 1.81 0.15 4.28 1.13 -1.26 -4.38 117.35 116.73 2kw4 s TYR 110 Ca -0.13 -1.20 -0.10 0.00 -1.41 0.00 0.00 57.07 54.23 2kw4 s TYR 110 Cb 0.05 -1.27 -0.00 0.00 -1.10 0.00 0.00 41.96 39.64 2kw4 s TYR 110 CO 0.54 -0.17 0.29 -1.12 -2.51 0.00 0.00 175.55 172.58 2kw4 s SER 111 N -3.67 0.02 0.13 -0.18 0.01 -1.26 -4.93 113.70 103.82 2kw4 s SER 111 Ca 0.20 -0.76 -0.25 0.00 1.31 0.00 0.00 55.95 56.44 2kw4 s SER 111 Cb 0.02 0.43 0.08 0.00 0.21 0.00 0.00 66.02 66.76 2kw4 s SER 111 CO 0.12 -0.87 1.04 -0.36 0.41 0.00 0.00 173.24 173.58 2kw4 s PHE 112 N -3.93 -0.07 0.68 2.43 0.08 -1.26 -4.75 117.98 111.16 2kw4 s PHE 112 Ca 0.13 -0.22 -0.11 0.00 0.12 0.00 0.00 56.93 56.85 2kw4 s PHE 112 Cb 0.03 0.64 -0.00 0.00 -0.57 0.00 0.00 43.02 43.12 2kw4 s PHE 112 CO -0.03 -0.75 1.06 -2.00 -0.10 0.00 0.00 175.22 173.40 2kw4 s GLU 113 N -2.90 3.09 0.09 0.44 2.12 -1.26 -4.95 118.70 115.33 2kw4 s GLU 113 Ca 0.15 0.73 -0.36 0.00 0.36 0.00 0.00 54.97 55.85 2kw4 s GLU 113 Cb -0.01 -2.02 -0.15 0.00 0.26 0.00 0.00 34.13 32.21 2kw4 s GLU 113 CO 0.02 -0.93 1.47 1.17 -0.54 0.00 0.00 175.26 176.45 2kw4 n LYS 114 N -2.99 1.58 -5.14 4.30 4.81 -1.26 -4.96 118.16 114.50 2kw4 n LYS 114 Ca 0.07 0.57 -0.31 0.00 -0.87 0.00 0.00 58.31 57.76 2kw4 n LYS 114 Cb 0.55 -2.27 -0.15 0.00 0.02 0.00 0.00 35.03 33.18 2kw4 n LYS 114 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2kw4 s VAL 115 N 0.95 2.38 0.00 3.15 -7.23 -1.26 -4.32 120.40 114.07 2kw4 s VAL 115 Ca 0.83 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 2kw4 s VAL 115 Cb -0.84 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.22 2kw4 s VAL 115 CO 0.44 0.56 0.00 0.29 -0.31 0.00 0.00 175.10 176.09 2kw4 n LYS 116 N 2.33 0.00 -3.65 4.82 4.76 -1.26 -4.75 118.16 120.40 2kw4 n LYS 116 Ca -0.16 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.28 2kw4 n LYS 116 Cb 0.51 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.64 2kw4 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kw4 s ALA 117 N -2.00 -2.53 0.00 7.82 0.00 -1.23 -2.98 121.76 120.84 2kw4 s ALA 117 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2kw4 s ALA 117 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2kw4 s ALA 117 CO 0.00 -0.23 0.00 1.58 0.00 0.00 0.00 175.76 177.11 2kw4 n HIS 118 N 2.49 0.00 -4.02 0.00 -0.00 -1.26 -4.07 115.22 108.35 2kw4 n HIS 118 Ca -0.15 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.93 2kw4 n HIS 118 Cb 0.56 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.39 2kw4 n HIS 118 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kw4 s SER 119 N -4.00 0.19 0.00 0.26 0.15 -1.26 -4.93 113.70 104.11 2kw4 s SER 119 Ca 0.00 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.53 2kw4 s SER 119 Cb 0.00 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2kw4 s SER 119 CO 0.00 -1.20 0.00 0.61 1.20 0.00 0.00 173.24 173.85 2kw4 n GLY 120 N -0.43 4.09 0.24 9.45 0.00 -1.26 -4.83 105.19 112.44 2kw4 n GLY 120 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.75 1.61 3.02 -1.26 -4.91 115.26 112.97 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 -1.29 2.89 -0.32 3.52 0.28 -1.26 -4.64 120.64 119.82 2kw4 n GLU 122 Ca 0.00 -2.19 0.16 0.00 -0.16 0.00 0.00 57.16 54.96 2kw4 n GLU 122 Cb 0.00 -1.36 0.35 0.00 1.43 0.00 0.00 31.44 31.86 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 2.25 0.83 -0.01 -1.84 -0.00 -1.93 0.66 116.94 116.89 2kw4 h PHE 123 Ca 0.00 0.04 -0.26 0.00 -0.00 0.00 0.00 57.97 57.75 2kw4 h PHE 123 Cb 0.83 -0.22 0.02 0.00 -0.00 0.00 0.00 35.95 36.59 2kw4 h PHE 123 CO 0.29 -0.01 -0.99 -2.95 -0.00 0.00 0.00 178.31 174.65 2kw4 h ASN 124 N 0.47 0.90 -0.12 -0.68 7.08 -1.87 -1.56 115.58 119.80 2kw4 h ASN 124 Ca 0.61 -0.73 0.03 0.00 -3.08 0.00 0.00 56.30 53.13 2kw4 h ASN 124 Cb 1.17 -0.27 -0.00 0.00 -2.08 0.00 0.00 38.32 37.13 2kw4 h ASN 124 CO -0.51 1.51 0.22 0.44 -2.08 0.00 0.00 177.43 177.00 2kw4 h ASP 125 N 0.37 0.00 -0.85 6.14 5.19 -1.20 -1.76 116.42 124.31 2kw4 h ASP 125 Ca -0.12 0.00 0.15 0.00 -0.62 0.00 0.00 57.03 56.44 2kw4 h ASP 125 Cb 1.65 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 41.06 2kw4 h ASP 125 CO 0.20 0.00 0.44 0.22 -3.12 0.00 0.00 179.24 176.97 2kw4 h TYR 126 N 0.00 0.76 -0.23 4.55 5.03 -1.25 0.30 116.97 126.14 2kw4 h TYR 126 Ca 0.06 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.47 2kw4 h TYR 126 Cb 0.49 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 2kw4 h TYR 126 CO 0.00 0.17 0.26 -0.39 -1.32 0.00 0.00 178.16 176.88 2kw4 h VAL 127 N 0.61 0.43 0.01 1.81 -1.51 -1.53 -1.53 116.25 114.54 2kw4 h VAL 127 Ca 0.47 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.94 2kw4 h VAL 127 Cb 0.68 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 2kw4 h VAL 127 CO -0.37 0.00 -0.00 0.44 -1.23 0.00 0.00 177.57 176.41 2kw4 h ASP 128 N 0.00 -0.01 -0.21 4.19 3.32 -0.57 0.29 116.42 123.43 2kw4 h ASP 128 Ca 0.11 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.91 2kw4 h ASP 128 Cb 0.63 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.19 2kw4 h ASP 128 CO -0.00 0.05 -0.62 -0.03 -1.72 0.00 0.00 179.24 176.92 2kw4 h MET 129 N -0.07 0.79 0.37 3.56 4.05 -1.39 -2.95 114.93 119.30 2kw4 h MET 129 Ca -0.00 -0.57 -0.02 0.00 -0.28 0.00 0.00 59.70 58.83 2kw4 h MET 129 Cb 0.06 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 2kw4 h MET 129 CO 0.00 1.19 -0.18 -0.22 0.23 0.00 0.00 176.91 177.93 2kw4 h LYS 130 N 0.53 -0.48 -0.80 0.39 3.11 -1.27 -2.68 116.57 115.38 2kw4 h LYS 130 Ca -0.02 0.03 0.18 0.00 -2.81 0.00 0.00 60.65 58.03 2kw4 h LYS 130 Cb 1.24 0.11 -0.05 0.00 -1.00 0.00 0.00 32.23 32.53 2kw4 h LYS 130 CO 0.13 -0.27 0.54 0.00 -2.81 0.00 0.00 179.45 177.04 2kw4 h ALA 131 N 0.01 2.23 -0.78 5.00 0.00 -0.50 0.64 119.26 125.85 2kw4 h ALA 131 Ca -0.05 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.08 2kw4 h ALA 131 Cb 0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2kw4 h ALA 131 CO 0.08 -0.46 0.56 -0.22 0.00 0.00 0.00 179.25 179.21 2kw4 h LYS 132 N 0.35 0.04 -0.08 0.00 3.64 -1.29 0.25 116.57 119.48 2kw4 h LYS 132 Ca 0.40 -0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.60 2kw4 h LYS 132 Cb 1.03 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2kw4 h LYS 132 CO -0.12 0.03 -0.71 0.77 -2.27 0.00 0.00 179.45 177.14 2kw4 h SER 133 N 0.04 0.47 -0.96 4.20 0.02 -0.93 -2.83 113.55 113.56 2kw4 h SER 133 Ca 0.37 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2kw4 h SER 133 Cb 1.44 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.79 2kw4 h SER 133 CO -0.02 1.03 0.63 0.00 -1.14 0.00 0.00 176.83 177.33 2kw4 h ALA 134 N 0.96 1.36 -0.13 3.77 0.00 -0.56 -2.74 119.26 121.92 2kw4 h ALA 134 Ca -0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2kw4 h ALA 134 Cb 1.28 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2kw4 h ALA 134 CO 0.12 0.57 -0.32 -0.07 0.00 0.00 0.00 179.25 179.55 2kw4 h LEU 135 N 1.24 0.51 0.00 0.00 3.38 -1.49 -3.49 115.31 115.46 2kw4 h LEU 135 Ca 0.37 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2kw4 h LEU 135 Cb -0.05 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2kw4 h LEU 135 CO -0.10 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.03 2kw4 n GLY 136 N 0.49 1.22 0.33 0.83 0.00 -1.03 -5.03 105.19 102.00 2kw4 n GLY 136 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 2kw4 n GLY 136 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kw4 h ILE 137 N 0.00 1.25 -3.71 -0.61 1.08 -1.80 -3.49 117.51 110.22 2kw4 h ILE 137 Ca 0.00 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 2kw4 h ILE 137 Cb 0.00 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 2kw4 h ILE 137 CO 0.00 0.33 -0.77 -1.14 -0.69 0.00 0.00 178.15 175.88 2kw4 n ARG 138 N -4.27 -4.48 -1.22 2.37 0.63 -1.26 -5.10 116.66 103.33 2kw4 n ARG 138 Ca 0.06 3.28 -0.00 0.00 -0.92 0.00 0.00 57.85 60.26 2kw4 n ARG 138 Cb 0.21 -3.45 0.00 0.00 0.45 0.00 0.00 32.46 29.66 2kw4 n ARG 138 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2kw4 n ASP 139 N 1.53 -0.00 -2.63 6.15 -0.08 -1.26 -5.19 116.55 115.06 2kw4 n ASP 139 Ca 0.00 -1.00 -0.08 0.00 -1.51 0.00 0.00 54.79 52.20 2kw4 n ASP 139 Cb 0.00 0.01 0.03 0.00 2.34 0.00 0.00 41.12 43.49 2kw4 n ASP 139 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2kw4 n LEU 140 N 0.00 0.00 0.00 -2.67 4.77 -1.26 -5.15 117.00 112.69 2kw4 n LEU 140 Ca -0.00 -2.29 0.00 0.00 -0.03 0.00 0.00 56.01 53.69 2kw4 n LEU 140 Cb 0.00 3.43 0.00 0.00 -2.33 0.00 0.00 43.42 44.52 2kw4 n LEU 140 CO 0.00 -0.76 0.00 -0.62 -1.33 0.00 0.00 177.39 174.68 2kw4 n GLU 141 N -0.49 0.00 -1.30 3.23 1.02 -1.26 -4.98 120.64 116.87 2kw4 n GLU 141 Ca -0.08 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.23 2kw4 n GLU 141 Cb 0.54 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.89 2kw4 n GLU 141 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kw4 n HIS 142 N -1.09 -3.41 -2.39 -0.32 8.25 -1.26 -5.01 115.22 109.98 2kw4 n HIS 142 Ca 0.00 1.82 -0.04 0.00 -0.26 0.00 0.00 57.72 59.24 2kw4 n HIS 142 Cb 0.00 -3.10 -0.03 0.00 1.12 0.00 0.00 29.99 27.97 2kw4 n HIS 142 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kw4 n HIS 143 N -4.12 -4.00 -3.15 4.41 -0.00 -1.26 -5.08 115.22 102.02 2kw4 n HIS 143 Ca -0.05 2.34 0.06 0.00 -0.00 0.00 0.00 57.72 60.07 2kw4 n HIS 143 Cb 0.61 -3.62 -0.00 0.00 -0.00 0.00 0.00 29.99 26.97 2kw4 n HIS 143 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kw4 s HIS 144 N -0.57 -0.12 0.27 1.57 5.04 -1.26 -5.18 115.29 115.05 2kw4 s HIS 144 Ca -0.21 0.07 0.05 0.00 -1.54 0.00 0.00 55.06 53.43 2kw4 s HIS 144 Cb 0.01 0.02 -0.02 0.00 0.04 0.00 0.00 32.58 32.64 2kw4 s HIS 144 CO 0.56 -0.07 0.18 0.72 -2.34 0.00 0.00 174.74 173.79 2kw4 n HIS 145 N 5.03 -0.34 -2.69 3.88 8.25 -1.26 -5.13 115.22 122.96 2kw4 n HIS 145 Ca 0.11 -2.08 -0.05 0.00 -0.26 0.00 0.00 57.72 55.44 2kw4 n HIS 145 Cb 0.59 0.14 0.05 0.00 1.12 0.00 0.00 29.99 31.89 2kw4 n HIS 145 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kw4 n HIS 146 N -0.56 -1.53 -0.44 4.41 -0.00 -1.26 -5.34 115.22 110.51 2kw4 n HIS 146 Ca 0.02 -0.97 0.00 0.00 -0.00 0.00 0.00 57.72 56.77 2kw4 n HIS 146 Cb 0.46 1.23 0.00 0.00 -0.00 0.00 0.00 29.99 31.68 2kw4 n HIS 146 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92