#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw4 s ASP 2 N 0.00 -0.17 0.00 6.12 1.01 -1.26 -4.96 116.67 117.41 2kw4 s ASP 2 Ca 0.00 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.82 2kw4 s ASP 2 Cb 0.00 0.47 0.00 0.00 1.01 0.00 0.00 42.92 44.40 2kw4 s ASP 2 CO 0.00 -0.88 0.00 -0.90 0.21 0.00 0.00 175.17 173.60 2kw4 n ASP 3 N -0.22 0.45 -0.92 0.27 5.75 -1.26 -0.88 116.55 119.73 2kw4 n ASP 3 Ca -0.14 -0.89 -0.05 0.00 -0.01 0.00 0.00 54.79 53.70 2kw4 n ASP 3 Cb 0.63 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.67 2kw4 n ASP 3 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2kw4 n ARG 4 N 0.00 0.00 0.00 0.11 1.85 -1.26 -4.74 116.66 112.62 2kw4 n ARG 4 Ca 0.00 -0.85 0.00 0.00 -1.00 0.00 0.00 57.85 56.00 2kw4 n ARG 4 Cb 0.00 0.36 0.00 0.00 -1.05 0.00 0.00 32.46 31.77 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 0.02 0.00 -1.32 8.89 -2.24 -1.26 -4.86 114.28 113.51 2kw4 n THR 5 Ca -0.20 1.00 -0.11 0.00 -2.27 0.00 0.00 64.05 62.47 2kw4 n THR 5 Cb 0.68 -1.89 -0.05 0.00 -2.10 0.00 0.00 70.33 66.97 2kw4 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kw4 n GLU 6 N -0.99 -1.33 -4.13 -0.78 1.02 -1.26 -4.92 120.64 108.24 2kw4 n GLU 6 Ca 0.00 0.86 -0.13 0.00 -0.02 0.00 0.00 57.16 57.86 2kw4 n GLU 6 Cb 0.00 -5.07 -0.11 0.00 -0.02 0.00 0.00 31.44 26.24 2kw4 n GLU 6 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2kw4 s TYR 7 N -2.13 0.87 0.64 -0.32 2.02 -1.26 -5.05 117.35 112.14 2kw4 s TYR 7 Ca 0.00 -0.64 -0.17 0.00 -0.37 0.00 0.00 57.07 55.88 2kw4 s TYR 7 Cb 0.00 -0.50 -0.06 0.00 -0.40 0.00 0.00 41.96 41.00 2kw4 s TYR 7 CO 0.00 -0.07 0.61 -3.47 -1.57 0.00 0.00 175.55 171.06 2kw4 n ASP 8 N 0.82 -0.75 -4.84 2.29 -0.08 -1.26 -4.49 116.55 108.23 2kw4 n ASP 8 Ca -0.18 0.68 -0.37 0.00 -1.51 0.00 0.00 54.79 53.42 2kw4 n ASP 8 Cb 0.57 -1.24 -0.06 0.00 2.34 0.00 0.00 41.12 42.74 2kw4 n ASP 8 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2kw4 s VAL 9 N -1.77 4.91 -1.19 5.18 1.01 -1.26 -4.08 120.40 123.21 2kw4 s VAL 9 Ca 0.69 0.85 -0.22 0.00 0.00 0.00 0.00 61.98 63.30 2kw4 s VAL 9 Cb -0.40 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 2kw4 s VAL 9 CO 0.54 0.39 1.91 0.00 0.00 0.00 0.00 175.10 177.94 2kw4 n TYR 10 N 1.25 3.00 -4.36 5.22 9.36 -1.26 -4.81 117.16 125.55 2kw4 n TYR 10 Ca -0.09 -1.71 -0.28 0.00 3.32 0.00 0.00 57.90 59.14 2kw4 n TYR 10 Cb 0.52 -2.58 -0.07 0.00 -0.63 0.00 0.00 39.34 36.58 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 9.61 1.86 0.51 2.97 -4.23 -1.26 -3.27 115.64 121.83 2kw4 s THR 11 Ca 0.65 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 2kw4 s THR 11 Cb 0.01 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2kw4 s THR 11 CO 0.13 0.00 0.00 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 -0.99 -4.77 116.55 114.99 2kw4 n ASP 12 Ca -0.06 1.28 0.00 0.00 0.71 0.00 0.00 54.79 56.72 2kw4 n ASP 12 Cb 0.66 -4.04 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 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 -3.56 3.32 0.00 0.44 0.00 -1.26 -4.87 105.19 99.26 2kw4 n GLY 13 Ca -0.06 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 -1.91 0.00 1.61 2.88 -1.26 -4.67 113.62 110.26 2kw4 n SER 14 Ca 0.00 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2kw4 n SER 14 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kw4 n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kw4 n TYR 15 N -2.94 -0.88 -3.76 0.66 4.19 -1.26 -4.84 117.16 108.31 2kw4 n TYR 15 Ca 0.00 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.07 2kw4 n TYR 15 Cb 0.00 0.48 -0.15 0.00 0.49 0.00 0.00 39.34 40.17 2kw4 n TYR 15 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2kw4 s VAL 16 N -0.96 -0.05 0.00 2.97 0.11 -1.26 -5.09 120.40 116.12 2kw4 s VAL 16 Ca 0.00 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2kw4 s VAL 16 Cb 0.00 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 2kw4 s VAL 16 CO 0.00 0.07 0.00 -3.20 -3.33 0.00 0.00 175.10 168.64 2kw4 n ASN 17 N 4.09 -0.59 -2.12 3.54 2.85 -1.26 -2.25 115.26 119.52 2kw4 n ASN 17 Ca -0.25 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.06 2kw4 n ASN 17 Cb 0.52 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.39 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 3.27 3.56 8.20 0.00 -1.26 -4.86 105.19 114.09 2kw4 n GLY 18 Ca 0.00 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 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 2.23 0.76 -4.84 1.61 6.02 -0.95 -5.01 117.38 117.20 2kw4 n GLN 19 Ca 0.45 -3.37 -0.26 0.00 -0.01 0.00 0.00 57.00 53.81 2kw4 n GLN 19 Cb 0.84 0.57 -0.16 0.00 1.02 0.00 0.00 30.24 32.51 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 -2.65 1.71 0.27 1.08 1.13 -1.26 -4.63 117.35 113.00 2kw4 s TYR 20 Ca 0.18 -0.49 -0.06 0.00 -1.41 0.00 0.00 57.07 55.30 2kw4 s TYR 20 Cb -0.01 -1.15 -0.01 0.00 -1.10 0.00 0.00 41.96 39.68 2kw4 s TYR 20 CO 0.12 -0.16 0.39 0.00 -2.51 0.00 0.00 175.55 173.39 2kw4 s ALA 21 N 0.02 0.47 -0.02 9.51 0.00 -1.26 -2.32 121.76 128.16 2kw4 s ALA 21 Ca -0.03 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2kw4 s ALA 21 Cb -0.11 1.18 0.03 0.00 0.00 0.00 0.00 23.12 24.22 2kw4 s ALA 21 CO 0.02 -0.77 0.02 1.67 0.00 0.00 0.00 175.76 176.70 2kw4 s TRP 22 N -3.71 0.11 0.22 0.00 -2.14 -0.86 -3.58 118.94 108.97 2kw4 s TRP 22 Ca 0.29 0.08 0.03 0.00 2.66 0.00 0.00 56.10 59.17 2kw4 s TRP 22 Cb 0.01 -0.27 -0.05 0.00 -3.10 0.00 0.00 33.47 30.06 2kw4 s TRP 22 CO 0.14 -0.09 -0.00 0.00 -2.66 0.00 0.00 176.95 174.33 2kw4 s ALA 23 N 0.99 1.73 0.22 2.67 0.00 -1.26 -2.68 121.76 123.43 2kw4 s ALA 23 Ca -0.09 -1.74 -0.23 0.00 0.00 0.00 0.00 51.96 49.91 2kw4 s ALA 23 Cb -0.12 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.54 2kw4 s ALA 23 CO -0.02 -0.26 0.76 1.52 0.00 0.00 0.00 175.76 177.76 2kw4 s TYR 24 N -3.46 -0.24 -0.18 0.00 -0.85 -1.20 -4.17 117.35 107.25 2kw4 s TYR 24 Ca 0.28 -0.13 -0.03 0.00 -0.52 0.00 0.00 57.07 56.67 2kw4 s TYR 24 Cb 0.06 0.66 -0.01 0.00 0.38 0.00 0.00 41.96 43.05 2kw4 s TYR 24 CO 0.08 -1.05 -0.07 0.00 -1.52 0.00 0.00 175.55 172.98 2kw4 s ALA 25 N -3.71 2.78 -0.07 9.51 0.00 -1.26 -4.80 121.76 124.20 2kw4 s ALA 25 Ca 0.09 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2kw4 s ALA 25 Cb -0.04 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 2kw4 s ALA 25 CO 0.02 -0.07 -0.11 -0.06 0.00 0.00 0.00 175.76 175.55 2kw4 s PHE 26 N 0.87 2.83 -0.09 0.00 0.40 -1.26 -4.85 117.98 115.87 2kw4 s PHE 26 Ca -0.02 -0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.12 2kw4 s PHE 26 Cb -0.15 -1.71 0.05 0.00 0.51 0.00 0.00 43.02 41.72 2kw4 s PHE 26 CO 0.01 0.18 0.21 0.08 0.70 0.00 0.00 175.22 176.40 2kw4 s VAL 27 N -0.57 -0.10 -0.05 -0.44 1.01 -1.26 -2.79 120.40 116.20 2kw4 s VAL 27 Ca 0.08 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.31 2kw4 s VAL 27 Cb -0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 2kw4 s VAL 27 CO 0.02 0.08 -0.20 -0.54 0.00 0.00 0.00 175.10 174.45 2kw4 s LYS 28 N 1.45 2.04 -0.36 2.72 -0.14 0.90 -4.65 119.74 121.71 2kw4 s LYS 28 Ca -0.07 -0.73 0.00 0.00 -1.36 0.00 0.00 55.97 53.81 2kw4 s LYS 28 Cb -0.11 -1.77 0.00 0.00 -1.68 0.00 0.00 37.83 34.27 2kw4 s LYS 28 CO -0.07 0.31 0.00 -0.25 -0.76 0.00 0.00 175.35 174.58 2kw4 n ASP 29 N 3.02 -4.85 0.00 2.83 9.92 -0.06 -1.96 116.55 125.44 2kw4 n ASP 29 Ca -0.18 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 2kw4 n ASP 29 Cb 0.53 -2.65 0.00 0.00 -0.64 0.00 0.00 41.12 38.36 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 -0.66 0.86 3.25 0.44 0.00 -1.25 -4.92 105.19 102.91 2kw4 n GLY 30 Ca -0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.73 0.92 -0.02 1.61 -2.85 -0.83 -4.93 119.74 111.92 2kw4 s LYS 31 Ca 0.00 -0.86 -0.33 0.00 -1.00 0.00 0.00 55.97 53.78 2kw4 s LYS 31 Cb 0.00 0.39 -0.12 0.00 -2.06 0.00 0.00 37.83 36.04 2kw4 s LYS 31 CO 0.00 -0.32 1.84 0.28 0.10 0.00 0.00 175.35 177.25 2kw4 n VAL 32 N -0.10 0.49 -0.08 1.79 0.31 -1.26 -0.07 118.33 119.40 2kw4 n VAL 32 Ca -0.15 -0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 63.94 2kw4 n VAL 32 Cb 0.63 -1.88 -0.07 0.00 -0.91 0.00 0.00 33.84 31.61 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 6.12 0.00 -4.31 3.52 -0.00 -1.12 -4.76 115.22 114.67 2kw4 n HIS 33 Ca 0.21 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.24 2kw4 n HIS 33 Cb 0.31 -0.61 -0.04 0.00 -0.12 0.00 0.00 29.99 29.52 2kw4 n HIS 33 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2kw4 n TYR 34 N -3.37 0.11 -3.55 1.57 4.01 -1.25 -5.02 117.16 109.66 2kw4 n TYR 34 Ca -0.31 -1.58 0.00 0.00 -0.16 0.00 0.00 57.90 55.85 2kw4 n TYR 34 Cb 0.77 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.79 2kw4 n TYR 34 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2kw4 n GLU 35 N -0.56 0.00 -1.16 -0.72 2.13 -1.26 -4.44 120.64 114.63 2kw4 n GLU 35 Ca -0.04 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.83 2kw4 n GLU 35 Cb 0.37 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.05 2kw4 n GLU 35 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kw4 n ASP 36 N -0.22 -6.25 -1.89 4.31 2.03 -1.26 -5.05 116.55 108.23 2kw4 n ASP 36 Ca 0.00 1.31 0.00 0.00 0.52 0.00 0.00 54.79 56.62 2kw4 n ASP 36 Cb 0.00 -3.68 0.00 0.00 -0.72 0.00 0.00 41.12 36.72 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 -2.90 0.00 -3.07 -1.67 0.00 -1.26 -4.72 120.51 106.89 2kw4 n ALA 37 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 2kw4 n ALA 37 Cb 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.90 -0.08 0.16 0.00 1.01 -1.09 -5.05 116.67 110.71 2kw4 s ASP 38 Ca 0.00 0.17 0.03 0.00 0.71 0.00 0.00 52.55 53.47 2kw4 s ASP 38 Cb 0.00 0.16 -0.04 0.00 1.01 0.00 0.00 42.92 44.05 2kw4 s ASP 38 CO 0.00 -0.05 0.24 -0.69 0.21 0.00 0.00 175.17 174.89 2kw4 s VAL 39 N 0.20 5.06 0.27 -1.27 1.01 -1.26 -2.04 120.40 122.38 2kw4 s VAL 39 Ca -0.01 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.22 2kw4 s VAL 39 Cb -0.02 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 2kw4 s VAL 39 CO -0.01 -0.11 -0.10 -0.83 0.00 0.00 0.00 175.10 174.05 2kw4 s GLY 40 N -3.24 1.81 -0.31 4.51 0.00 -0.98 -5.00 107.32 104.12 2kw4 s GLY 40 Ca 0.33 -1.88 0.19 0.00 0.00 0.00 0.00 44.72 43.36 2kw4 s GLY 40 CO 0.27 -1.87 1.00 0.58 0.00 0.00 0.00 173.10 173.07 2kw4 n LYS 41 N -0.58 1.25 -3.16 2.90 0.00 -1.26 -4.53 118.16 112.78 2kw4 n LYS 41 Ca -0.06 -3.24 -0.29 0.00 -0.00 0.00 0.00 58.31 54.72 2kw4 n LYS 41 Cb 0.62 -1.26 -0.03 0.00 -0.00 0.00 0.00 35.03 34.36 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 -3.17 6.48 0.00 -5.58 0.02 -1.26 -4.95 114.94 106.48 2kw4 s ASN 42 Ca 0.27 0.87 -0.23 0.00 -1.02 0.00 0.00 52.86 52.74 2kw4 s ASN 42 Cb 0.43 -2.21 -0.18 0.00 0.02 0.00 0.00 41.25 39.31 2kw4 s ASN 42 CO 0.02 -0.27 1.30 1.55 0.02 0.00 0.00 177.10 179.72 2kw4 h PRO 43 N 1.54 0.16 0.00 -0.60 0.13 -1.99 0.27 132.00 131.50 2kw4 h PRO 43 Ca -0.47 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 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 0.65 0.60 -0.16 0.00 -0.23 0.00 0.00 178.00 178.86 2kw4 h ALA 44 N 0.55 1.09 0.00 -0.56 0.00 -1.98 -0.81 119.26 117.55 2kw4 h ALA 44 Ca 0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2kw4 h ALA 44 Cb 0.57 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2kw4 h ALA 44 CO 0.02 0.20 -0.71 0.00 0.00 0.00 0.00 179.25 178.76 2kw4 h ALA 45 N 1.84 0.13 -0.91 0.00 0.00 -1.95 -3.34 119.26 115.03 2kw4 h ALA 45 Ca -0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 2kw4 h ALA 45 Cb 0.58 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2kw4 h ALA 45 CO 0.02 0.43 0.51 0.00 0.00 0.00 0.00 179.25 180.21 2kw4 h ALA 46 N -0.50 1.16 -0.04 0.00 0.00 -0.49 -1.58 119.26 117.82 2kw4 h ALA 46 Ca -0.17 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2kw4 h ALA 46 Cb 0.98 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kw4 h ALA 46 CO -0.10 0.66 0.10 0.00 0.00 0.00 0.00 179.25 179.91 2kw4 h THR 47 N 1.27 0.17 -0.42 0.00 1.03 -1.32 0.25 112.91 113.89 2kw4 h THR 47 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.72 2kw4 h THR 47 Cb 0.01 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 68.00 2kw4 h THR 47 CO -0.05 0.00 0.00 0.23 -0.01 0.00 0.00 175.52 175.69 2kw4 n MET 48 N -3.31 2.93 0.00 0.00 2.81 -0.60 -4.96 117.12 114.00 2kw4 n MET 48 Ca -0.02 -1.91 0.00 0.00 -1.81 0.00 0.00 57.70 53.97 2kw4 n MET 48 Cb 0.18 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 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 0.62 0.00 -0.55 0.03 1.74 0.88 -1.84 116.66 117.53 2kw4 n ARG 49 Ca 0.17 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.23 2kw4 n ARG 49 Cb 0.67 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.09 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 2.29 -0.25 -0.01 0.55 6.94 -1.26 -4.19 115.26 119.32 2kw4 n ASN 50 Ca 0.00 -1.04 -0.17 0.00 -0.02 0.00 0.00 54.58 53.36 2kw4 n ASN 50 Cb 0.00 0.08 -0.10 0.00 -2.36 0.00 0.00 39.78 37.40 2kw4 n ASN 50 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 2kw4 h VAL 51 N 3.92 1.39 0.00 3.53 2.07 -1.62 -2.51 116.25 123.03 2kw4 h VAL 51 Ca -0.14 -1.93 -0.06 0.00 0.82 0.00 0.00 66.70 65.39 2kw4 h VAL 51 Cb 0.92 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 2kw4 h VAL 51 CO -0.07 0.57 -0.27 0.00 0.02 0.00 0.00 177.57 177.82 2kw4 h ALA 52 N 0.41 0.90 -0.00 1.67 0.00 -1.81 -3.16 119.26 117.27 2kw4 h ALA 52 Ca -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2kw4 h ALA 52 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kw4 h ALA 52 CO 0.11 0.33 -0.12 0.78 0.00 0.00 0.00 179.25 180.35 2kw4 h GLY 53 N 2.90 0.10 0.71 0.00 0.00 -1.80 -0.36 103.07 104.60 2kw4 h GLY 53 Ca -0.00 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.21 2kw4 h GLY 53 CO 0.03 0.14 0.17 1.05 0.00 0.00 0.00 176.54 177.94 2kw4 h GLU 54 N -0.64 0.35 -0.00 4.80 4.11 -1.50 -2.16 114.58 119.53 2kw4 h GLU 54 Ca -0.01 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.24 2kw4 h GLU 54 Cb 0.89 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2kw4 h GLU 54 CO 0.02 0.23 -0.72 0.82 0.07 0.00 0.00 179.01 179.43 2kw4 h ILE 55 N 0.36 1.51 -1.25 -1.06 2.04 -1.65 -2.63 117.51 114.82 2kw4 h ILE 55 Ca 0.18 -2.44 0.36 0.00 1.00 0.00 0.00 64.86 63.97 2kw4 h ILE 55 Cb 0.14 2.32 -0.08 0.00 -0.74 0.00 0.00 36.82 38.45 2kw4 h ILE 55 CO -0.16 0.70 0.85 0.00 0.00 0.00 0.00 178.15 179.53 2kw4 h ALA 56 N 1.25 2.82 -0.10 1.87 0.00 -0.37 0.10 119.26 124.84 2kw4 h ALA 56 Ca -0.01 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2kw4 h ALA 56 Cb 1.28 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 2kw4 h ALA 56 CO 0.10 -1.27 -0.27 0.00 0.00 0.00 0.00 179.25 177.81 2kw4 h ALA 57 N 1.48 -0.29 -1.00 0.00 0.00 -1.55 -1.48 119.26 116.42 2kw4 h ALA 57 Ca 0.67 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.72 2kw4 h ALA 57 Cb 2.23 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 20.44 2kw4 h ALA 57 CO -0.20 -0.74 0.63 0.00 0.00 0.00 0.00 179.25 178.94 2kw4 h ALA 58 N 0.53 1.51 0.09 0.00 0.00 -1.20 0.34 119.26 120.54 2kw4 h ALA 58 Ca 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kw4 h ALA 58 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kw4 h ALA 58 CO -0.30 0.21 -0.14 -0.07 0.00 0.00 0.00 179.25 178.95 2kw4 h LEU 59 N 0.98 -0.41 -2.04 0.00 3.38 -1.22 -0.12 115.31 115.88 2kw4 h LEU 59 Ca 0.50 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.50 2kw4 h LEU 59 Cb 0.50 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2kw4 h LEU 59 CO -0.27 -0.17 -0.04 1.88 0.09 0.00 0.00 178.44 179.93 2kw4 h TYR 60 N -0.25 0.00 -0.16 1.13 -1.99 -1.29 -2.52 116.97 111.88 2kw4 h TYR 60 Ca -0.01 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 2kw4 h TYR 60 Cb 0.23 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 2kw4 h TYR 60 CO -0.22 0.04 0.02 0.00 -0.00 0.00 0.00 178.16 178.00 2kw4 h ALA 61 N 1.96 0.21 -0.13 3.88 0.00 0.35 -2.32 119.26 123.22 2kw4 h ALA 61 Ca -0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2kw4 h ALA 61 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kw4 h ALA 61 CO 0.00 -0.11 -0.33 0.28 0.00 0.00 0.00 179.25 179.09 2kw4 h VAL 62 N 0.05 1.37 -0.56 0.00 2.07 -0.79 -0.76 116.25 117.63 2kw4 h VAL 62 Ca 0.05 -1.62 0.11 0.00 0.82 0.00 0.00 66.70 66.06 2kw4 h VAL 62 Cb 0.32 2.06 -0.09 0.00 -1.52 0.00 0.00 31.29 32.06 2kw4 h VAL 62 CO 0.00 0.48 0.05 0.11 0.02 0.00 0.00 177.57 178.23 2kw4 h LYS 63 N 0.07 0.16 0.00 1.57 1.57 -1.48 -0.68 116.57 117.78 2kw4 h LYS 63 Ca -0.00 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 2kw4 h LYS 63 Cb 0.94 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 2kw4 h LYS 63 CO 0.07 0.11 -0.82 0.87 -0.57 0.00 0.00 179.45 179.11 2kw4 h LYS 64 N 0.17 0.00 -0.83 3.15 6.56 -1.45 -3.21 116.57 120.95 2kw4 h LYS 64 Ca 0.29 0.00 0.20 0.00 -1.06 0.00 0.00 60.65 60.07 2kw4 h LYS 64 Cb 0.44 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.05 2kw4 h LYS 64 CO -0.43 0.82 0.56 0.00 -2.06 0.00 0.00 179.45 178.34 2kw4 h ALA 65 N 1.18 2.32 0.00 3.86 0.00 0.44 0.31 119.26 127.37 2kw4 h ALA 65 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2kw4 h ALA 65 Cb 1.46 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2kw4 h ALA 65 CO 0.11 -0.57 -0.59 1.03 0.00 0.00 0.00 179.25 179.23 2kw4 h SER 66 N 0.30 0.00 -0.21 0.00 0.87 -1.47 -1.99 113.55 111.05 2kw4 h SER 66 Ca 0.42 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.81 2kw4 h SER 66 Cb 1.17 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2kw4 h SER 66 CO -0.12 0.59 -0.51 1.56 -0.53 0.00 0.00 176.83 177.82 2kw4 h GLN 67 N 0.00 0.79 -0.13 2.24 4.20 -0.52 -2.84 115.11 118.85 2kw4 h GLN 67 Ca -0.01 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.23 2kw4 h GLN 67 Cb 1.14 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2kw4 h GLN 67 CO 0.08 1.10 0.00 1.28 -0.67 0.00 0.00 178.83 180.62 2kw4 n LEU 68 N -4.00 1.28 -1.99 1.46 4.32 -0.87 -4.90 117.00 112.29 2kw4 n LEU 68 Ca -0.03 -0.54 -0.15 0.00 -0.02 0.00 0.00 56.01 55.27 2kw4 n LEU 68 Cb 0.60 -0.08 -0.03 0.00 -1.62 0.00 0.00 43.42 42.29 2kw4 n LEU 68 CO 0.49 0.27 -0.17 0.61 -1.22 0.00 0.00 177.39 177.37 2kw4 n GLY 69 N 1.05 0.33 3.53 -0.72 0.00 -1.00 -4.46 105.19 103.92 2kw4 n GLY 69 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2kw4 n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kw4 s VAL 70 N -2.51 3.11 0.07 1.61 -7.23 -0.78 -4.86 120.40 109.80 2kw4 s VAL 70 Ca 0.00 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 2kw4 s VAL 70 Cb 0.00 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2kw4 s VAL 70 CO 0.00 0.14 0.12 -0.54 -0.31 0.00 0.00 175.10 174.51 2kw4 s LYS 71 N -2.07 3.06 0.59 4.82 3.01 -1.26 -4.45 119.74 123.44 2kw4 s LYS 71 Ca 0.19 -0.60 0.10 0.00 -1.01 0.00 0.00 55.97 54.65 2kw4 s LYS 71 Cb -0.11 -2.83 0.09 0.00 -1.01 0.00 0.00 37.83 33.98 2kw4 s LYS 71 CO 0.11 0.59 0.80 0.96 0.51 0.00 0.00 175.35 178.32 2kw4 s ILE 72 N -1.41 2.02 -0.02 2.17 -4.36 -1.26 -4.92 121.20 113.42 2kw4 s ILE 72 Ca 0.30 -1.02 -0.34 0.00 -0.26 0.00 0.00 60.65 59.33 2kw4 s ILE 72 Cb -0.12 -2.05 -0.12 0.00 1.25 0.00 0.00 42.46 41.41 2kw4 s ILE 72 CO 0.23 0.00 1.79 -1.14 0.24 0.00 0.00 174.94 176.06 2kw4 n ARG 73 N -2.26 2.13 -2.50 0.37 0.00 -1.26 -4.82 116.66 108.32 2kw4 n ARG 73 Ca 0.16 0.78 -0.05 0.00 -0.00 0.00 0.00 57.85 58.73 2kw4 n ARG 73 Cb 0.62 -2.60 -0.01 0.00 0.00 0.00 0.00 32.46 30.47 2kw4 n ARG 73 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2kw4 n ILE 74 N 4.62 0.00 -3.63 5.15 -6.64 -1.26 -4.58 119.36 113.02 2kw4 n ILE 74 Ca 0.21 -0.49 -0.20 0.00 -1.77 0.00 0.00 62.75 60.50 2kw4 n ILE 74 Cb 0.29 0.17 0.05 0.00 -1.44 0.00 0.00 39.64 38.71 2kw4 n ILE 74 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 2kw4 n LEU 75 N 0.00 -3.36 -2.67 7.28 -0.00 -1.26 -4.12 117.00 112.88 2kw4 n LEU 75 Ca -0.01 -0.76 -0.04 0.00 -0.00 0.00 0.00 56.01 55.20 2kw4 n LEU 75 Cb 0.13 -2.79 -0.03 0.00 -0.00 0.00 0.00 43.42 40.72 2kw4 n LEU 75 CO 0.07 0.40 -0.60 1.57 -0.00 0.00 0.00 177.39 178.83 2kw4 n HIS 76 N -4.25 -4.16 1.21 1.96 -0.00 -1.26 -4.87 115.22 103.85 2kw4 n HIS 76 Ca -0.29 2.25 0.07 0.00 -0.00 0.00 0.00 57.72 59.76 2kw4 n HIS 76 Cb 0.67 -3.83 0.26 0.00 -0.00 0.00 0.00 29.99 27.10 2kw4 n HIS 76 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2kw4 n ASP 77 N 1.44 1.47 -3.38 0.26 5.75 -1.26 -4.90 116.55 115.93 2kw4 n ASP 77 Ca -0.28 -1.84 -0.24 0.00 -0.01 0.00 0.00 54.79 52.42 2kw4 n ASP 77 Cb 0.45 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 2kw4 n ASP 77 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kw4 n TYR 78 N 0.25 -1.87 -2.90 2.11 4.19 -1.26 -4.95 117.16 112.72 2kw4 n TYR 78 Ca 0.13 0.53 0.00 0.00 3.31 0.00 0.00 57.90 61.87 2kw4 n TYR 78 Cb 0.26 -3.31 0.00 0.00 0.49 0.00 0.00 39.34 36.79 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2kw4 n ALA 79 N -3.66 0.00 0.32 2.98 0.00 -1.26 -4.89 120.51 114.00 2kw4 n ALA 79 Ca -0.02 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.62 2kw4 n ALA 79 Cb 0.55 0.00 1.08 0.00 0.00 0.00 0.00 19.45 21.08 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 0.50 0.00 0.00 -1.66 -1.77 103.07 100.14 2kw4 h GLY 80 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2kw4 h GLY 80 CO 0.00 0.00 -0.60 -2.22 0.00 0.00 0.00 176.54 173.72 2kw4 h ILE 81 N 0.00 1.59 0.00 2.60 1.08 -1.93 -3.26 117.51 117.59 2kw4 h ILE 81 Ca 0.01 -2.49 0.00 0.00 -0.39 0.00 0.00 64.86 61.99 2kw4 h ILE 81 Cb 0.17 3.26 0.00 0.00 -3.07 0.00 0.00 36.82 37.17 2kw4 h ILE 81 CO -0.00 0.69 0.00 0.00 -0.69 0.00 0.00 178.15 178.15 2kw4 n ALA 82 N -2.66 1.79 0.02 1.87 0.00 -0.81 -1.46 120.51 119.27 2kw4 n ALA 82 Ca -0.13 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 2kw4 n ALA 82 Cb 0.73 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.15 0.00 0.00 3.57 -1.39 -3.34 116.94 115.62 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 0.28 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2kw4 h PHE 83 CO 0.00 0.22 -0.14 0.11 -2.23 0.00 0.00 178.31 176.27 2kw4 h TRP 84 N -0.97 0.00 -0.99 0.41 0.09 -1.62 -3.29 115.95 109.58 2kw4 h TRP 84 Ca -0.02 0.00 0.29 0.00 0.09 0.00 0.00 58.89 59.25 2kw4 h TRP 84 Cb 0.44 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 29.64 2kw4 h TRP 84 CO 0.08 0.00 0.78 0.00 0.09 0.00 0.00 178.44 179.40 2kw4 h ALA 85 N 2.08 2.89 -0.61 0.11 0.00 -1.37 0.30 119.26 122.66 2kw4 h ALA 85 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2kw4 h ALA 85 Cb 0.96 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2kw4 h ALA 85 CO 0.00 -1.29 0.14 1.79 0.00 0.00 0.00 179.25 179.88 2kw4 h THR 86 N 0.00 1.25 -3.11 0.00 1.35 -1.74 -3.38 112.91 107.29 2kw4 h THR 86 Ca 0.47 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2kw4 h THR 86 Cb 2.03 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 2kw4 h THR 86 CO -0.00 0.35 -0.08 0.61 -0.25 0.00 0.00 175.52 176.14 2kw4 n GLY 87 N -0.62 -3.05 0.08 5.82 0.00 0.11 -5.00 105.19 102.53 2kw4 n GLY 87 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 0.38 -3.97 1.61 -0.58 -1.26 -5.03 120.64 111.87 2kw4 n GLU 88 Ca -0.02 0.15 -0.22 0.00 -0.42 0.00 0.00 57.16 56.65 2kw4 n GLU 88 Cb 0.03 -1.16 -0.02 0.00 -0.57 0.00 0.00 31.44 29.72 2kw4 n GLU 88 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2kw4 s TRP 89 N -2.38 3.44 -0.95 -0.32 0.51 -1.26 -5.00 118.94 112.99 2kw4 s TRP 89 Ca -0.21 -0.00 -0.25 0.00 -2.12 0.00 0.00 56.10 53.52 2kw4 s TRP 89 Cb 0.03 -1.58 -0.10 0.00 -0.81 0.00 0.00 33.47 31.01 2kw4 s TRP 89 CO 0.31 0.45 2.08 -1.59 -0.51 0.00 0.00 176.95 177.69 2kw4 s LYS 90 N -3.86 2.16 0.00 4.98 -2.85 -1.26 -4.71 119.74 114.20 2kw4 s LYS 90 Ca 0.34 -0.28 0.28 0.00 -1.00 0.00 0.00 55.97 55.31 2kw4 s LYS 90 Cb -0.09 -5.02 1.64 0.00 -2.06 0.00 0.00 37.83 32.29 2kw4 s LYS 90 CO 0.29 -3.98 2.06 0.00 0.10 0.00 0.00 175.35 173.81 2kw4 n ALA 91 N 15.82 2.66 -0.45 0.59 0.00 -1.26 -4.00 120.51 133.87 2kw4 n ALA 91 Ca 0.43 -0.18 0.39 0.00 0.00 0.00 0.00 53.44 54.07 2kw4 n ALA 91 Cb 0.46 -1.44 0.72 0.00 0.00 0.00 0.00 19.45 19.19 2kw4 n ALA 91 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2kw4 h LYS 92 N 0.08 0.07 -2.41 0.00 3.11 -1.90 -1.63 116.57 113.88 2kw4 h LYS 92 Ca 0.00 -0.00 -0.46 0.00 -2.81 0.00 0.00 60.65 57.38 2kw4 h LYS 92 Cb 0.02 -0.02 -0.06 0.00 -1.00 0.00 0.00 32.23 31.17 2kw4 h LYS 92 CO 0.00 0.05 1.48 0.27 -2.81 0.00 0.00 179.45 178.43 2kw4 n ASN 93 N -4.28 6.93 -1.82 4.20 0.23 -1.26 -4.82 115.26 114.45 2kw4 n ASN 93 Ca 0.33 -2.69 -0.05 0.00 -0.53 0.00 0.00 54.58 51.64 2kw4 n ASN 93 Cb 1.44 -1.43 -0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2kw4 n ASN 93 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2kw4 n GLU 94 N 2.55 0.36 -0.00 -3.83 -0.58 -0.62 -5.06 120.64 113.46 2kw4 n GLU 94 Ca 0.58 -1.11 0.06 0.00 -0.42 0.00 0.00 57.16 56.28 2kw4 n GLU 94 Cb 0.56 1.15 -0.08 0.00 -0.57 0.00 0.00 31.44 32.50 2kw4 n GLU 94 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2kw4 n PHE 95 N -0.24 0.00 0.06 -0.32 7.35 -1.26 -4.49 117.46 118.56 2kw4 n PHE 95 Ca -0.01 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.89 2kw4 n PHE 95 Cb 0.25 -0.10 0.74 0.00 0.35 0.00 0.00 39.48 40.72 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 0.46 -1.00 -2.13 2.02 -1.90 -1.00 112.91 109.37 2kw4 h THR 96 Ca 0.00 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.40 2kw4 h THR 96 Cb 0.38 0.67 -0.12 0.00 -1.74 0.00 0.00 68.15 67.35 2kw4 h THR 96 CO 0.00 0.00 0.59 1.56 0.37 0.00 0.00 175.52 178.04 2kw4 h GLN 97 N 0.00 0.65 -1.04 6.66 4.20 -1.79 0.27 115.11 124.06 2kw4 h GLN 97 Ca 0.22 -0.04 0.29 0.00 0.06 0.00 0.00 58.65 59.18 2kw4 h GLN 97 Cb 1.07 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.65 2kw4 h GLN 97 CO -0.00 0.43 0.73 0.00 -0.67 0.00 0.00 178.83 179.31 2kw4 h ALA 98 N 1.69 2.80 0.05 3.87 0.00 -1.50 -1.09 119.26 125.07 2kw4 h ALA 98 Ca 0.61 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.53 2kw4 h ALA 98 Cb 1.05 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2kw4 h ALA 98 CO -0.43 -1.12 -0.29 -0.92 0.00 0.00 0.00 179.25 176.50 2kw4 h TYR 99 N 0.10 -0.77 -0.64 0.00 3.20 -0.65 0.27 116.97 118.47 2kw4 h TYR 99 Ca 0.51 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.54 2kw4 h TYR 99 Cb 1.85 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 40.42 2kw4 h TYR 99 CO -0.00 -0.38 0.44 0.00 -1.64 0.00 0.00 178.16 176.57 2kw4 h ALA 100 N 0.29 2.21 -0.02 1.82 0.00 -1.34 -0.83 119.26 121.40 2kw4 h ALA 100 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2kw4 h ALA 100 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kw4 h ALA 100 CO -0.21 -0.38 -0.26 0.87 0.00 0.00 0.00 179.25 179.27 2kw4 h LYS 101 N 0.28 0.21 0.00 0.00 1.57 -1.15 -3.14 116.57 114.34 2kw4 h LYS 101 Ca 0.31 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2kw4 h LYS 101 Cb 0.83 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2kw4 h LYS 101 CO -0.07 0.89 0.00 -0.07 -0.57 0.00 0.00 179.45 179.63 2kw4 h LEU 102 N -0.41 0.00 0.35 2.94 3.38 0.31 -3.14 115.31 118.74 2kw4 h LEU 102 Ca -0.03 0.00 -0.02 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 -0.17 -0.03 0.09 0.00 0.00 178.44 178.38 2kw4 h MET 103 N 0.00 -0.45 -0.92 1.13 4.05 -1.13 -2.99 114.93 114.62 2kw4 h MET 103 Ca 0.00 0.03 0.24 0.00 -0.28 0.00 0.00 59.70 59.69 2kw4 h MET 103 Cb 0.16 0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.01 2kw4 h MET 103 CO 0.00 -0.30 0.63 -0.97 0.23 0.00 0.00 176.91 176.50 2kw4 h ASN 104 N -0.51 0.20 -0.91 1.39 -1.24 -1.67 0.40 115.58 113.25 2kw4 h ASN 104 Ca -0.05 0.03 0.16 0.00 0.71 0.00 0.00 56.30 57.15 2kw4 h ASN 104 Cb 0.36 -0.01 -0.10 0.00 0.73 0.00 0.00 38.32 39.30 2kw4 h ASN 104 CO 0.08 0.07 0.50 -0.61 -1.29 0.00 0.00 177.43 176.18 2kw4 h GLN 105 N 0.20 0.65 -0.07 6.67 -0.00 -1.54 -2.68 115.11 118.34 2kw4 h GLN 105 Ca 0.46 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.65 58.96 2kw4 h GLN 105 Cb 1.49 -0.15 -0.20 0.00 0.00 0.00 0.00 27.48 28.62 2kw4 h GLN 105 CO -0.10 0.43 -0.76 2.48 0.00 0.00 0.00 178.83 180.88 2kw4 n TYR 106 N -4.84 0.25 -2.74 3.99 0.18 0.13 -5.06 117.16 109.08 2kw4 n TYR 106 Ca 0.19 -1.20 -0.42 0.00 1.88 0.00 0.00 57.90 58.35 2kw4 n TYR 106 Cb 0.48 -0.22 -0.03 0.00 -0.38 0.00 0.00 39.34 39.20 2kw4 n TYR 106 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 2kw4 s ARG 107 N -2.07 4.45 0.00 -3.48 3.00 0.12 -4.36 118.95 116.61 2kw4 s ARG 107 Ca 0.37 1.33 0.00 0.00 -1.00 0.00 0.00 55.73 56.43 2kw4 s ARG 107 Cb 0.38 -3.52 0.00 0.00 0.00 0.00 0.00 34.95 31.81 2kw4 s ARG 107 CO -0.10 -0.22 0.00 0.41 0.00 0.00 0.00 175.30 175.39 2kw4 n GLY 108 N 3.08 0.14 0.07 8.12 0.00 -1.26 -4.97 105.19 110.36 2kw4 n GLY 108 Ca 0.07 0.00 -0.08 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 0.86 -4.65 -0.61 -0.00 -1.26 -5.05 119.36 108.66 2kw4 n ILE 109 Ca 0.00 -0.45 -0.32 0.00 -0.00 0.00 0.00 62.75 61.98 2kw4 n ILE 109 Cb 0.00 -0.82 -0.07 0.00 -0.00 0.00 0.00 39.64 38.75 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 1.88 0.01 4.28 1.13 -1.26 -4.34 117.35 116.75 2kw4 s TYR 110 Ca -0.12 -0.92 -0.15 0.00 -1.41 0.00 0.00 57.07 54.47 2kw4 s TYR 110 Cb 0.04 -1.66 0.02 0.00 -1.10 0.00 0.00 41.96 39.27 2kw4 s TYR 110 CO 0.45 0.16 0.32 -1.12 -2.51 0.00 0.00 175.55 172.85 2kw4 s SER 111 N -3.91 -0.18 -0.28 -0.18 0.01 -1.26 -4.97 113.70 102.92 2kw4 s SER 111 Ca 0.11 -0.01 -0.23 0.00 1.31 0.00 0.00 55.95 57.12 2kw4 s SER 111 Cb 0.02 0.34 0.12 0.00 0.21 0.00 0.00 66.02 66.70 2kw4 s SER 111 CO 0.06 -0.53 0.97 -0.36 0.41 0.00 0.00 173.24 173.79 2kw4 s PHE 112 N -1.86 -0.56 1.16 2.43 0.08 -1.26 -4.17 117.98 113.80 2kw4 s PHE 112 Ca -0.10 1.31 -0.18 0.00 0.12 0.00 0.00 56.93 58.09 2kw4 s PHE 112 Cb -0.03 0.36 0.19 0.00 -0.57 0.00 0.00 43.02 42.97 2kw4 s PHE 112 CO 0.01 -0.27 0.35 0.39 -0.10 0.00 0.00 175.22 175.60 2kw4 n GLU 113 N 2.57 -2.40 -1.62 0.44 4.71 -1.26 -4.84 120.64 118.24 2kw4 n GLU 113 Ca -0.14 -0.69 -0.44 0.00 -0.01 0.00 0.00 57.16 55.88 2kw4 n GLU 113 Cb 0.56 -1.75 -0.01 0.00 -1.01 0.00 0.00 31.44 29.23 2kw4 n GLU 113 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2kw4 n LYS 114 N -3.01 1.58 -3.74 3.49 4.81 -1.26 -4.98 118.16 115.05 2kw4 n LYS 114 Ca 0.04 0.55 -0.29 0.00 -0.87 0.00 0.00 58.31 57.74 2kw4 n LYS 114 Cb 0.55 -1.99 -0.15 0.00 0.02 0.00 0.00 35.03 33.45 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 -1.02 0.76 0.00 3.15 -7.23 -1.26 -4.30 120.40 110.50 2kw4 s VAL 115 Ca 0.58 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 2kw4 s VAL 115 Cb -0.67 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2kw4 s VAL 115 CO 0.60 -0.50 0.00 0.29 -0.31 0.00 0.00 175.10 175.19 2kw4 n LYS 116 N 4.92 0.00 -3.63 4.82 5.02 -1.26 -4.38 118.16 123.65 2kw4 n LYS 116 Ca -0.05 0.27 -0.03 0.00 -2.02 0.00 0.00 58.31 56.48 2kw4 n LYS 116 Cb 0.44 -0.77 -0.02 0.00 -0.02 0.00 0.00 35.03 34.66 2kw4 n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kw4 s ALA 117 N -3.45 -2.15 -0.26 7.82 0.00 -1.26 -3.73 121.76 118.73 2kw4 s ALA 117 Ca 0.00 1.82 -0.30 0.00 0.00 0.00 0.00 51.96 53.48 2kw4 s ALA 117 Cb 0.00 -0.49 0.18 0.00 0.00 0.00 0.00 23.12 22.81 2kw4 s ALA 117 CO 0.00 -0.51 1.28 -1.58 0.00 0.00 0.00 175.76 174.95 2kw4 s HIS 118 N -1.99 -0.10 0.00 0.00 2.46 -1.26 -4.56 115.29 109.83 2kw4 s HIS 118 Ca 0.10 0.16 0.00 0.00 0.47 0.00 0.00 55.06 55.80 2kw4 s HIS 118 Cb -0.01 0.49 0.00 0.00 -0.13 0.00 0.00 32.58 32.93 2kw4 s HIS 118 CO -0.04 -0.10 0.35 0.43 -2.47 0.00 0.00 174.74 172.91 2kw4 n SER 119 N 0.49 0.00 -3.87 9.88 7.64 -1.26 -4.75 113.62 121.75 2kw4 n SER 119 Ca -0.02 0.49 0.03 0.00 1.01 0.00 0.00 58.87 60.38 2kw4 n SER 119 Cb 0.59 -0.25 0.01 0.00 -1.01 0.00 0.00 64.21 63.54 2kw4 n SER 119 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2kw4 s GLY 120 N -1.04 -0.14 0.00 0.23 0.00 -1.26 -4.62 107.32 100.50 2kw4 s GLY 120 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.77 2kw4 s GLY 120 CO 0.00 5.97 0.00 -2.01 0.00 0.00 0.00 173.10 177.06 2kw4 n ASN 121 N -1.06 0.00 -1.28 1.64 5.15 -1.26 -5.01 115.26 113.44 2kw4 n ASN 121 Ca 0.04 -0.93 0.12 0.00 -0.60 0.00 0.00 54.58 53.21 2kw4 n ASN 121 Cb 0.58 0.00 0.29 0.00 -0.53 0.00 0.00 39.78 40.13 2kw4 n ASN 121 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2kw4 n GLU 122 N 0.00 2.62 0.10 1.20 0.28 -1.26 -4.24 120.64 119.34 2kw4 n GLU 122 Ca 0.00 -2.51 -0.05 0.00 -0.16 0.00 0.00 57.16 54.44 2kw4 n GLU 122 Cb 0.00 -1.55 0.02 0.00 1.43 0.00 0.00 31.44 31.34 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 4.27 0.09 -0.08 -1.84 -1.00 -1.93 -3.25 116.94 113.20 2kw4 h PHE 123 Ca 0.00 -0.05 -0.23 0.00 2.81 0.00 0.00 57.97 60.51 2kw4 h PHE 123 Cb 0.97 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 40.53 2kw4 h PHE 123 CO 0.42 0.85 -0.85 -2.95 -1.61 0.00 0.00 178.31 174.17 2kw4 h ASN 124 N 0.03 0.79 -0.25 2.17 7.08 -1.83 -2.27 115.58 121.30 2kw4 h ASN 124 Ca -0.02 -0.56 0.07 0.00 -3.08 0.00 0.00 56.30 52.72 2kw4 h ASN 124 Cb 1.44 -0.24 -0.01 0.00 -2.08 0.00 0.00 38.32 37.43 2kw4 h ASN 124 CO 0.11 1.34 0.32 0.44 -2.08 0.00 0.00 177.43 177.56 2kw4 h ASP 125 N 0.41 0.00 -0.88 6.14 5.19 -1.80 -0.85 116.42 124.63 2kw4 h ASP 125 Ca -0.07 0.00 0.21 0.00 -0.62 0.00 0.00 57.03 56.55 2kw4 h ASP 125 Cb 1.48 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.92 2kw4 h ASP 125 CO 0.16 0.00 0.59 0.22 -3.12 0.00 0.00 179.24 177.10 2kw4 h TYR 126 N 0.00 0.47 -0.25 4.55 5.03 -1.63 0.27 116.97 125.41 2kw4 h TYR 126 Ca 0.12 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.51 2kw4 h TYR 126 Cb 0.75 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.88 2kw4 h TYR 126 CO 0.00 0.12 0.29 -0.39 -1.32 0.00 0.00 178.16 176.87 2kw4 h VAL 127 N 0.35 0.39 -0.33 1.81 -1.51 -1.37 -1.10 116.25 114.50 2kw4 h VAL 127 Ca 0.46 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.92 2kw4 h VAL 127 Cb 1.21 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.11 2kw4 h VAL 127 CO -0.15 0.00 0.20 0.44 -1.23 0.00 0.00 177.57 176.82 2kw4 h ASP 128 N 0.00 0.39 -0.02 4.19 5.19 -0.65 0.11 116.42 125.63 2kw4 h ASP 128 Ca 0.12 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 2kw4 h ASP 128 Cb 0.70 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2kw4 h ASP 128 CO -0.00 0.33 -0.05 0.24 -3.12 0.00 0.00 179.24 176.64 2kw4 h MET 129 N 0.42 0.06 0.10 3.56 2.86 -1.36 -2.88 114.93 117.68 2kw4 h MET 129 Ca 0.12 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2kw4 h MET 129 Cb 0.01 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 2kw4 h MET 129 CO -0.02 0.68 -0.29 -0.22 1.06 0.00 0.00 176.91 178.12 2kw4 h LYS 130 N -0.54 -0.47 -0.82 1.72 3.11 -1.41 -1.48 116.57 116.68 2kw4 h LYS 130 Ca -0.00 0.03 0.17 0.00 -2.81 0.00 0.00 60.65 58.04 2kw4 h LYS 130 Cb 0.68 0.11 -0.06 0.00 -1.00 0.00 0.00 32.23 31.96 2kw4 h LYS 130 CO 0.01 -0.32 0.54 0.00 -2.81 0.00 0.00 179.45 176.88 2kw4 h ALA 131 N 0.22 2.11 -0.76 5.00 0.00 -0.88 0.67 119.26 125.62 2kw4 h ALA 131 Ca 0.04 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.16 2kw4 h ALA 131 Cb 0.53 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2kw4 h ALA 131 CO -0.18 -0.35 0.54 -0.22 0.00 0.00 0.00 179.25 179.04 2kw4 h LYS 132 N 0.45 0.08 0.05 0.00 3.64 -1.03 0.24 116.57 119.99 2kw4 h LYS 132 Ca 0.41 -0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.56 2kw4 h LYS 132 Cb 0.94 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2kw4 h LYS 132 CO -0.15 0.05 -1.05 1.03 -2.27 0.00 0.00 179.45 177.07 2kw4 h SER 133 N 0.08 0.25 -0.31 4.20 0.87 -0.85 0.49 113.55 118.27 2kw4 h SER 133 Ca 0.37 -0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 60.56 2kw4 h SER 133 Cb 1.35 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2kw4 h SER 133 CO -0.03 1.14 -0.31 0.00 -0.53 0.00 0.00 176.83 177.09 2kw4 h ALA 134 N 0.83 0.46 0.00 6.23 0.00 -0.57 -3.00 119.26 123.22 2kw4 h ALA 134 Ca -0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2kw4 h ALA 134 Cb 1.75 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2kw4 h ALA 134 CO 0.16 0.50 -0.24 -0.07 0.00 0.00 0.00 179.25 179.59 2kw4 h LEU 135 N 0.52 0.00 -0.04 0.00 4.07 -1.25 -3.47 115.31 115.14 2kw4 h LEU 135 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2kw4 h LEU 135 Cb 0.89 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.63 2kw4 h LEU 135 CO 0.08 0.24 0.00 0.61 -1.08 0.00 0.00 178.44 178.29 2kw4 n GLY 136 N 0.03 1.50 3.80 0.83 0.00 -1.09 -5.04 105.19 105.22 2kw4 n GLY 136 Ca -0.00 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.04 4.92 0.04 -0.61 1.01 0.14 -5.03 121.20 119.62 2kw4 s ILE 137 Ca 0.00 1.06 -0.01 0.00 0.00 0.00 0.00 60.65 61.71 2kw4 s ILE 137 Cb 0.00 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.65 2kw4 s ILE 137 CO 0.00 0.51 0.03 -2.11 0.00 0.00 0.00 174.94 173.38 2kw4 n ARG 138 N 2.16 -1.07 -3.65 2.79 1.85 -1.26 -4.60 116.66 112.88 2kw4 n ARG 138 Ca -0.11 -0.05 -0.02 0.00 -1.00 0.00 0.00 57.85 56.68 2kw4 n ARG 138 Cb 0.51 -0.05 -0.04 0.00 -1.05 0.00 0.00 32.46 31.84 2kw4 n ARG 138 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2kw4 s ASP 139 N -1.59 -0.02 -0.43 2.89 2.15 -1.26 -5.02 116.67 113.38 2kw4 s ASP 139 Ca 0.02 0.02 0.07 0.00 0.43 0.00 0.00 52.55 53.09 2kw4 s ASP 139 Cb -0.00 0.02 0.23 0.00 -0.30 0.00 0.00 42.92 42.86 2kw4 s ASP 139 CO 0.02 -0.02 0.61 0.00 -0.17 0.00 0.00 175.17 175.60 2kw4 n LEU 140 N 0.44 -1.12 0.00 -1.34 -0.00 -1.26 -5.12 117.00 108.60 2kw4 n LEU 140 Ca 0.01 -4.10 0.02 0.00 -0.00 0.00 0.00 56.01 51.95 2kw4 n LEU 140 Cb 0.59 0.69 0.01 0.00 -0.00 0.00 0.00 43.42 44.70 2kw4 n LEU 140 CO 0.07 2.00 0.64 -0.62 -0.00 0.00 0.00 177.39 179.48 2kw4 n GLU 141 N 1.86 0.03 -3.83 1.47 1.02 -1.26 -5.19 120.64 114.74 2kw4 n GLU 141 Ca 0.19 -0.32 -0.06 0.00 -0.02 0.00 0.00 57.16 56.95 2kw4 n GLU 141 Cb 0.55 0.60 0.01 0.00 -0.02 0.00 0.00 31.44 32.58 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 -2.17 0.00 0.25 -0.32 -3.43 -1.26 -5.19 115.29 103.16 2kw4 s HIS 142 Ca 0.17 -0.48 -0.12 0.00 -0.80 0.00 0.00 55.06 53.83 2kw4 s HIS 142 Cb -0.00 0.73 -0.01 0.00 -1.43 0.00 0.00 32.58 31.88 2kw4 s HIS 142 CO -0.01 -1.16 0.46 -1.01 -2.00 0.00 0.00 174.74 171.02 2kw4 s HIS 143 N -2.72 0.42 0.02 0.38 3.76 -1.26 -5.19 115.29 110.70 2kw4 s HIS 143 Ca 0.16 -0.77 -0.29 0.00 -0.15 0.00 0.00 55.06 54.01 2kw4 s HIS 143 Cb -0.04 0.14 0.10 0.00 1.11 0.00 0.00 32.58 33.90 2kw4 s HIS 143 CO 0.07 -0.98 1.14 -1.58 -0.85 0.00 0.00 174.74 172.55 2kw4 s HIS 144 N -4.01 -0.10 0.27 1.40 2.46 -1.26 -5.19 115.29 108.86 2kw4 s HIS 144 Ca 0.24 -0.06 -0.20 0.00 0.47 0.00 0.00 55.06 55.50 2kw4 s HIS 144 Cb -0.00 0.57 0.05 0.00 -0.13 0.00 0.00 32.58 33.07 2kw4 s HIS 144 CO 0.09 -0.46 0.83 -3.38 -2.47 0.00 0.00 174.74 169.35 2kw4 s HIS 145 N -2.75 -0.05 -0.29 3.88 -3.43 -1.26 -5.18 115.29 106.21 2kw4 s HIS 145 Ca 0.12 -0.44 -0.16 0.00 -0.80 0.00 0.00 55.06 53.78 2kw4 s HIS 145 Cb 0.02 0.73 0.17 0.00 -1.43 0.00 0.00 32.58 32.07 2kw4 s HIS 145 CO -0.02 -1.22 1.09 -1.58 -2.00 0.00 0.00 174.74 171.01 2kw4 s HIS 146 N -3.09 -0.39 0.00 0.38 2.46 -1.26 -5.39 115.29 108.01 2kw4 s HIS 146 Ca 0.14 0.75 0.00 0.00 0.47 0.00 0.00 55.06 56.42 2kw4 s HIS 146 Cb -0.04 0.23 0.00 0.00 -0.13 0.00 0.00 32.58 32.64 2kw4 s HIS 146 CO 0.07 -0.19 0.00 1.58 -2.47 0.00 0.00 174.74 173.73