#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 -1.95 -0.85 6.12 -0.08 -1.26 -4.62 116.55 113.91 2kw4 n ASP 2 Ca 0.00 -2.21 0.00 0.00 -1.51 0.00 0.00 54.79 51.07 2kw4 n ASP 2 Cb 0.00 3.21 0.00 0.00 2.34 0.00 0.00 41.12 46.67 2kw4 n ASP 2 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2kw4 n ASP 3 N -1.39 0.04 -0.53 1.67 5.75 -1.26 -0.15 116.55 120.68 2kw4 n ASP 3 Ca -0.05 -0.83 -0.00 0.00 -0.01 0.00 0.00 54.79 53.89 2kw4 n ASP 3 Cb 0.57 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.65 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 -0.85 0.11 1.85 -1.26 -4.76 116.66 111.75 2kw4 n ARG 4 Ca 0.00 -0.47 -0.19 0.00 -1.00 0.00 0.00 57.85 56.20 2kw4 n ARG 4 Cb 0.00 -0.20 0.15 0.00 -1.05 0.00 0.00 32.46 31.36 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 0.01 0.00 0.08 8.89 -2.24 -1.26 -5.01 114.28 114.74 2kw4 n THR 5 Ca -0.00 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2kw4 n THR 5 Cb 0.60 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 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 -3.29 0.00 -0.79 -0.78 1.02 -1.26 -5.02 120.64 110.52 2kw4 n GLU 6 Ca 0.10 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.90 2kw4 n GLU 6 Cb 0.37 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.91 2kw4 n GLU 6 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2kw4 n TYR 7 N -2.74 -1.86 -0.99 -0.32 4.01 -1.26 -4.19 117.16 109.80 2kw4 n TYR 7 Ca 0.00 0.20 -0.34 0.00 -0.16 0.00 0.00 57.90 57.60 2kw4 n TYR 7 Cb 0.00 -1.64 0.09 0.00 -0.31 0.00 0.00 39.34 37.49 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 -0.55 -2.08 -4.83 7.72 2.03 -1.26 -4.53 116.55 113.05 2kw4 n ASP 8 Ca 0.03 0.42 -0.37 0.00 0.52 0.00 0.00 54.79 55.39 2kw4 n ASP 8 Cb 0.59 -1.17 -0.06 0.00 -0.72 0.00 0.00 41.12 39.76 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 -2.18 4.82 -1.17 5.18 1.01 -1.26 -4.30 120.40 122.51 2kw4 s VAL 9 Ca 0.59 1.00 -0.22 0.00 0.00 0.00 0.00 61.98 63.35 2kw4 s VAL 9 Cb -0.26 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 2kw4 s VAL 9 CO 0.65 0.42 1.92 0.00 0.00 0.00 0.00 175.10 178.09 2kw4 n TYR 10 N 1.32 2.82 -4.67 5.22 9.36 -1.26 -4.86 117.16 125.09 2kw4 n TYR 10 Ca -0.09 -1.59 -0.33 0.00 3.32 0.00 0.00 57.90 59.22 2kw4 n TYR 10 Cb 0.51 -2.57 -0.07 0.00 -0.63 0.00 0.00 39.34 36.59 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 10.16 1.17 0.05 2.97 -4.23 -1.26 -3.25 115.64 121.24 2kw4 s THR 11 Ca 0.67 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2kw4 s THR 11 Cb 0.01 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.74 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 -1.34 -5.46 0.00 3.99 8.00 -1.25 -4.82 116.55 115.66 2kw4 n ASP 12 Ca -0.18 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2kw4 n ASP 12 Cb 0.67 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 2kw4 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kw4 n GLY 13 N -0.60 1.41 3.18 0.44 0.00 -1.26 -4.63 105.19 103.73 2kw4 n GLY 13 Ca 0.00 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.16 -3.30 0.00 1.61 2.88 -1.26 -4.68 113.62 108.71 2kw4 n SER 14 Ca 0.00 -0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 2kw4 n SER 14 Cb 0.00 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 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 -5.11 -0.03 -3.74 0.66 4.19 -1.26 -4.92 117.16 106.96 2kw4 n TYR 15 Ca 0.08 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.15 2kw4 n TYR 15 Cb 0.51 0.45 -0.15 0.00 0.49 0.00 0.00 39.34 40.65 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 -0.91 -0.07 0.00 2.97 0.11 -1.26 -5.10 120.40 116.14 2kw4 s VAL 16 Ca 0.00 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 2kw4 s VAL 16 Cb 0.00 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.61 2kw4 s VAL 16 CO 0.00 0.08 0.00 -3.20 -3.33 0.00 0.00 175.10 168.65 2kw4 n ASN 17 N 4.33 -0.75 -2.30 3.54 2.85 -1.26 -2.37 115.26 119.30 2kw4 n ASN 17 Ca -0.24 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.04 2kw4 n ASN 17 Cb 0.51 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.40 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 3.37 2.17 8.20 0.00 -1.26 -4.86 105.19 112.82 2kw4 n GLY 18 Ca 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 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 2.54 1.13 -4.63 1.61 6.02 -1.00 -5.09 117.38 117.97 2kw4 n GLN 19 Ca 0.50 -2.07 -0.23 0.00 -0.01 0.00 0.00 57.00 55.19 2kw4 n GLN 19 Cb 0.76 0.37 -0.16 0.00 1.02 0.00 0.00 30.24 32.23 2kw4 n GLN 19 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 2kw4 s TYR 20 N -1.78 1.32 0.25 1.08 1.13 -1.26 -4.70 117.35 113.40 2kw4 s TYR 20 Ca 0.11 -0.34 -0.01 0.00 -1.41 0.00 0.00 57.07 55.42 2kw4 s TYR 20 Cb -0.01 -0.90 -0.03 0.00 -1.10 0.00 0.00 41.96 39.93 2kw4 s TYR 20 CO 0.07 -0.11 0.26 0.00 -2.51 0.00 0.00 175.55 173.26 2kw4 s ALA 21 N 0.01 1.06 -0.02 9.51 0.00 -1.26 -2.17 121.76 128.89 2kw4 s ALA 21 Ca -0.01 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.31 2kw4 s ALA 21 Cb -0.09 1.33 0.03 0.00 0.00 0.00 0.00 23.12 24.39 2kw4 s ALA 21 CO 0.01 -0.67 0.01 1.67 0.00 0.00 0.00 175.76 176.78 2kw4 s TRP 22 N -3.83 0.20 0.23 0.00 1.48 0.51 -3.99 118.94 113.53 2kw4 s TRP 22 Ca 0.36 0.05 0.01 0.00 -1.06 0.00 0.00 56.10 55.46 2kw4 s TRP 22 Cb 0.04 -0.33 -0.05 0.00 -1.16 0.00 0.00 33.47 31.97 2kw4 s TRP 22 CO 0.16 -0.11 0.07 0.00 -4.06 0.00 0.00 176.95 173.02 2kw4 s ALA 23 N 0.99 1.54 0.16 2.67 0.00 -1.26 -1.70 121.76 124.15 2kw4 s ALA 23 Ca -0.09 -1.77 -0.24 0.00 0.00 0.00 0.00 51.96 49.86 2kw4 s ALA 23 Cb -0.13 0.95 0.06 0.00 0.00 0.00 0.00 23.12 24.00 2kw4 s ALA 23 CO -0.02 -0.44 0.78 1.52 0.00 0.00 0.00 175.76 177.60 2kw4 s TYR 24 N -3.78 -0.30 -0.35 0.00 -0.85 -1.20 -3.88 117.35 106.99 2kw4 s TYR 24 Ca 0.34 0.01 -0.04 0.00 -0.52 0.00 0.00 57.07 56.87 2kw4 s TYR 24 Cb 0.07 0.62 0.06 0.00 0.38 0.00 0.00 41.96 43.09 2kw4 s TYR 24 CO 0.11 -0.89 0.09 0.00 -1.52 0.00 0.00 175.55 173.34 2kw4 s ALA 25 N -3.56 2.99 0.04 9.51 0.00 -1.24 -4.70 121.76 124.80 2kw4 s ALA 25 Ca 0.07 -1.98 -0.17 0.00 0.00 0.00 0.00 51.96 49.88 2kw4 s ALA 25 Cb -0.02 -2.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.84 2kw4 s ALA 25 CO -0.03 -1.45 0.49 -0.06 0.00 0.00 0.00 175.76 174.72 2kw4 s PHE 26 N 1.27 3.77 -0.08 0.00 0.40 -1.26 -4.84 117.98 117.25 2kw4 s PHE 26 Ca -0.00 1.14 -0.03 0.00 -0.60 0.00 0.00 56.93 57.44 2kw4 s PHE 26 Cb -0.21 -2.40 0.04 0.00 0.51 0.00 0.00 43.02 40.97 2kw4 s PHE 26 CO -0.01 0.61 0.17 0.08 0.70 0.00 0.00 175.22 176.77 2kw4 s VAL 27 N -1.10 -0.10 -0.08 -0.44 1.01 -1.26 -3.37 120.40 115.06 2kw4 s VAL 27 Ca 0.27 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.50 2kw4 s VAL 27 Cb -0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 2kw4 s VAL 27 CO 0.16 0.09 -0.22 -0.54 0.00 0.00 0.00 175.10 174.59 2kw4 s LYS 28 N 1.43 2.65 -0.57 2.72 -0.14 0.12 -4.63 119.74 121.32 2kw4 s LYS 28 Ca -0.07 -0.80 0.00 0.00 -1.36 0.00 0.00 55.97 53.74 2kw4 s LYS 28 Cb -0.12 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 33.94 2kw4 s LYS 28 CO -0.06 0.21 0.00 -0.25 -0.76 0.00 0.00 175.35 174.49 2kw4 n ASP 29 N 3.39 -5.11 0.00 2.83 9.92 0.79 -1.67 116.55 126.71 2kw4 n ASP 29 Ca -0.19 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 2kw4 n ASP 29 Cb 0.53 -3.08 0.00 0.00 -0.64 0.00 0.00 41.12 37.93 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 -0.38 0.78 3.23 0.44 0.00 -1.26 -4.89 105.19 103.10 2kw4 n GLY 30 Ca -0.05 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.68 1.23 -0.11 1.61 -2.85 -0.67 -4.98 119.74 112.29 2kw4 s LYS 31 Ca 0.00 -1.61 -0.29 0.00 -1.00 0.00 0.00 55.97 53.06 2kw4 s LYS 31 Cb 0.00 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 2kw4 s LYS 31 CO 0.00 -0.41 1.50 0.08 0.10 0.00 0.00 175.35 176.62 2kw4 s VAL 32 N -4.14 3.87 -0.17 1.79 1.01 -1.26 -0.71 120.40 120.79 2kw4 s VAL 32 Ca 0.38 1.04 -0.08 0.00 0.00 0.00 0.00 61.98 63.32 2kw4 s VAL 32 Cb 0.06 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 2kw4 s VAL 32 CO 0.12 -0.12 -0.22 1.57 0.00 0.00 0.00 175.10 176.46 2kw4 n HIS 33 N 7.06 0.00 -4.32 5.22 -0.00 -1.22 -4.83 115.22 117.12 2kw4 n HIS 33 Ca 0.16 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.17 2kw4 n HIS 33 Cb 0.44 -0.62 -0.10 0.00 -0.12 0.00 0.00 29.99 29.59 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 1.55 -0.31 1.57 2.02 -1.25 -5.05 117.35 113.56 2kw4 s TYR 34 Ca -0.24 -0.82 -0.06 0.00 -0.37 0.00 0.00 57.07 55.57 2kw4 s TYR 34 Cb 0.09 -0.86 0.19 0.00 -0.40 0.00 0.00 41.96 40.98 2kw4 s TYR 34 CO 0.31 0.06 0.94 -2.00 -1.57 0.00 0.00 175.55 173.29 2kw4 s GLU 35 N -3.80 0.28 -0.30 -0.62 2.12 -1.26 -4.09 118.70 111.03 2kw4 s GLU 35 Ca 0.25 0.11 -0.17 0.00 0.36 0.00 0.00 54.97 55.52 2kw4 s GLU 35 Cb 0.04 0.08 0.18 0.00 0.26 0.00 0.00 34.13 34.69 2kw4 s GLU 35 CO 0.07 -0.46 1.14 0.34 -0.54 0.00 0.00 175.26 175.80 2kw4 s ASP 36 N 2.56 -0.32 0.95 -1.70 2.15 -1.26 -5.16 116.67 113.89 2kw4 s ASP 36 Ca 0.21 0.42 -0.10 0.00 0.43 0.00 0.00 52.55 53.51 2kw4 s ASP 36 Cb -0.02 1.36 0.15 0.00 -0.30 0.00 0.00 42.92 44.11 2kw4 s ASP 36 CO -0.20 -0.06 0.90 0.00 -0.17 0.00 0.00 175.17 175.64 2kw4 n ALA 37 N 4.83 -0.92 -3.43 3.66 0.00 -1.26 -4.80 120.51 118.59 2kw4 n ALA 37 Ca -0.08 -1.22 -0.13 0.00 0.00 0.00 0.00 53.44 52.01 2kw4 n ALA 37 Cb 0.54 -0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 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 -4.31 -0.53 0.17 0.00 1.01 -0.69 -5.01 116.67 107.31 2kw4 s ASP 38 Ca 0.52 1.01 0.05 0.00 0.71 0.00 0.00 52.55 54.84 2kw4 s ASP 38 Cb -0.02 1.01 -0.04 0.00 1.01 0.00 0.00 42.92 44.89 2kw4 s ASP 38 CO 0.36 -0.18 0.16 -0.69 0.21 0.00 0.00 175.17 175.03 2kw4 s VAL 39 N 0.39 4.56 0.00 -1.27 1.01 -1.26 -0.36 120.40 123.46 2kw4 s VAL 39 Ca -0.01 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2kw4 s VAL 39 Cb -0.04 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2kw4 s VAL 39 CO -0.01 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.57 2kw4 n GLY 40 N -0.46 4.62 2.65 4.51 0.00 -0.92 -4.96 105.19 110.63 2kw4 n GLY 40 Ca -0.08 -2.08 -0.03 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.14 0.07 -4.30 1.61 0.00 -1.26 -4.85 118.16 109.29 2kw4 n LYS 41 Ca 0.00 -0.58 -0.26 0.00 -0.00 0.00 0.00 58.31 57.46 2kw4 n LYS 41 Cb 0.00 -0.02 -0.09 0.00 -0.00 0.00 0.00 35.03 34.92 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 -0.07 4.22 -0.00 -5.58 -0.87 -1.26 -5.06 114.94 106.32 2kw4 s ASN 42 Ca 0.07 -0.60 -0.24 0.00 -1.57 0.00 0.00 52.86 50.51 2kw4 s ASN 42 Cb 0.10 -0.70 -0.18 0.00 -0.02 0.00 0.00 41.25 40.45 2kw4 s ASN 42 CO -0.07 0.10 1.29 1.55 -2.57 0.00 0.00 177.10 177.40 2kw4 h PRO 43 N 2.84 0.12 0.00 -0.60 0.13 -2.02 -0.40 132.00 132.07 2kw4 h PRO 43 Ca -0.46 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2kw4 h PRO 43 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kw4 h PRO 43 CO 0.54 0.57 0.00 0.00 -0.23 0.00 0.00 178.00 178.88 2kw4 h ALA 44 N 0.55 1.00 0.05 -0.56 0.00 -1.99 0.50 119.26 118.80 2kw4 h ALA 44 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2kw4 h ALA 44 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2kw4 h ALA 44 CO 0.01 0.00 -2.01 0.00 0.00 0.00 0.00 179.25 177.25 2kw4 n ALA 45 N -2.08 1.25 -0.03 0.00 0.00 -1.15 -4.08 120.51 114.42 2kw4 n ALA 45 Ca -0.02 -0.81 -0.17 0.00 0.00 0.00 0.00 53.44 52.43 2kw4 n ALA 45 Cb 0.11 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 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 0.51 0.30 0.00 0.00 0.00 -0.38 -3.05 119.26 116.64 2kw4 h ALA 46 Ca -0.41 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 53.93 2kw4 h ALA 46 Cb 2.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 2kw4 h ALA 46 CO 0.05 0.62 -0.00 0.00 0.00 0.00 0.00 179.25 179.92 2kw4 h THR 47 N 0.47 0.01 -0.39 0.00 1.03 -1.11 0.11 112.91 113.03 2kw4 h THR 47 Ca -0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 2kw4 h THR 47 Cb 1.33 1.03 0.00 0.00 -1.07 0.00 0.00 68.15 69.44 2kw4 h THR 47 CO 0.15 0.00 0.00 0.23 -0.01 0.00 0.00 175.52 175.89 2kw4 n MET 48 N -3.10 2.25 0.00 0.00 2.81 -1.15 -4.95 117.12 112.98 2kw4 n MET 48 Ca -0.03 -1.54 0.00 0.00 -1.81 0.00 0.00 57.70 54.32 2kw4 n MET 48 Cb 0.08 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 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 0.61 0.00 -0.56 0.03 1.74 0.40 -1.82 116.66 117.06 2kw4 n ARG 49 Ca 0.14 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.21 2kw4 n ARG 49 Cb 0.45 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.88 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 2.28 -0.21 -0.02 0.55 0.23 -1.26 -4.70 115.26 112.13 2kw4 n ASN 50 Ca 0.00 -1.08 -0.13 0.00 -0.53 0.00 0.00 54.58 52.84 2kw4 n ASN 50 Cb 0.00 0.06 -0.10 0.00 -2.08 0.00 0.00 39.78 37.66 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 4.35 1.41 0.00 3.53 2.07 -1.62 -2.88 116.25 123.11 2kw4 h VAL 51 Ca -0.12 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 2kw4 h VAL 51 Cb 0.97 2.43 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 2kw4 h VAL 51 CO -0.06 0.39 -0.00 0.00 0.02 0.00 0.00 177.57 177.91 2kw4 h ALA 52 N 0.15 1.01 -0.00 1.67 0.00 -1.81 -2.51 119.26 117.76 2kw4 h ALA 52 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kw4 h ALA 52 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2kw4 h ALA 52 CO 0.01 0.01 -0.02 0.78 0.00 0.00 0.00 179.25 180.02 2kw4 h GLY 53 N 1.34 0.01 0.82 0.00 0.00 -1.82 -1.50 103.07 101.92 2kw4 h GLY 53 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2kw4 h GLY 53 CO 0.00 0.02 0.03 1.05 0.00 0.00 0.00 176.54 177.64 2kw4 h GLU 54 N -0.75 0.23 -0.13 4.80 4.11 -1.41 -2.93 114.58 118.51 2kw4 h GLU 54 Ca -0.00 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.30 2kw4 h GLU 54 Cb 0.79 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2kw4 h GLU 54 CO 0.00 0.41 -0.23 0.82 0.07 0.00 0.00 179.01 180.08 2kw4 h ILE 55 N 0.02 1.22 -0.68 -1.06 2.04 -1.58 -3.05 117.51 114.42 2kw4 h ILE 55 Ca 0.04 -1.03 0.14 0.00 1.00 0.00 0.00 64.86 65.01 2kw4 h ILE 55 Cb 0.28 1.38 -0.12 0.00 -0.74 0.00 0.00 36.82 37.62 2kw4 h ILE 55 CO 0.00 0.31 -0.09 0.00 0.00 0.00 0.00 178.15 178.37 2kw4 h ALA 56 N 1.57 0.56 -0.28 1.87 0.00 -1.07 -1.09 119.26 120.82 2kw4 h ALA 56 Ca 0.03 0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2kw4 h ALA 56 Cb 0.52 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2kw4 h ALA 56 CO 0.04 -0.42 -0.32 0.00 0.00 0.00 0.00 179.25 178.55 2kw4 h ALA 57 N 1.66 -0.26 -0.80 0.00 0.00 -1.58 0.18 119.26 118.46 2kw4 h ALA 57 Ca 0.35 0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.55 2kw4 h ALA 57 Cb 0.56 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2kw4 h ALA 57 CO -0.65 -0.75 0.57 0.00 0.00 0.00 0.00 179.25 178.42 2kw4 h ALA 58 N 0.62 2.74 0.15 0.00 0.00 -1.35 0.31 119.26 121.72 2kw4 h ALA 58 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2kw4 h ALA 58 Cb 0.54 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kw4 h ALA 58 CO -0.45 -0.97 -0.07 -0.07 0.00 0.00 0.00 179.25 177.69 2kw4 h LEU 59 N 0.01 -0.17 -2.38 0.00 3.38 -0.28 -2.91 115.31 112.97 2kw4 h LEU 59 Ca 0.38 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.38 2kw4 h LEU 59 Cb 1.51 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 2kw4 h LEU 59 CO -0.01 -0.05 0.09 1.88 0.09 0.00 0.00 178.44 180.44 2kw4 h TYR 60 N -0.32 0.00 -0.70 1.13 0.05 -1.07 -1.24 116.97 114.81 2kw4 h TYR 60 Ca -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 2kw4 h TYR 60 Cb 0.15 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 2kw4 h TYR 60 CO 0.09 0.00 0.21 0.00 -1.05 0.00 0.00 178.16 177.41 2kw4 h ALA 61 N 1.89 0.92 0.01 3.88 0.00 -0.41 -2.35 119.26 123.19 2kw4 h ALA 61 Ca 0.04 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 2kw4 h ALA 61 Cb 0.22 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kw4 h ALA 61 CO -0.00 0.60 -0.68 0.28 0.00 0.00 0.00 179.25 179.46 2kw4 h VAL 62 N 1.03 1.42 -0.51 0.00 2.07 -1.03 -1.46 116.25 117.76 2kw4 h VAL 62 Ca 0.22 -2.15 0.10 0.00 0.82 0.00 0.00 66.70 65.70 2kw4 h VAL 62 Cb 0.31 2.63 -0.08 0.00 -1.52 0.00 0.00 31.29 32.64 2kw4 h VAL 62 CO -0.01 0.63 0.03 0.11 0.02 0.00 0.00 177.57 178.35 2kw4 h LYS 63 N -0.07 0.14 0.01 1.57 1.57 -1.38 -1.19 116.57 117.21 2kw4 h LYS 63 Ca -0.09 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.49 2kw4 h LYS 63 Cb 1.39 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.65 2kw4 h LYS 63 CO 0.13 0.09 -0.87 -0.22 -0.57 0.00 0.00 179.45 178.01 2kw4 h LYS 64 N 0.15 0.08 -0.86 3.15 1.63 -1.51 -3.21 116.57 116.00 2kw4 h LYS 64 Ca 0.26 -0.09 0.22 0.00 -0.85 0.00 0.00 60.65 60.19 2kw4 h LYS 64 Cb 0.39 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.00 2kw4 h LYS 64 CO -0.41 0.90 0.59 0.00 -3.45 0.00 0.00 179.45 177.08 2kw4 h ALA 65 N 1.07 2.50 0.00 5.00 0.00 -0.09 0.40 119.26 128.14 2kw4 h ALA 65 Ca -0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2kw4 h ALA 65 Cb 1.52 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2kw4 h ALA 65 CO 0.12 -0.76 -0.71 1.03 0.00 0.00 0.00 179.25 178.93 2kw4 h SER 66 N 0.19 0.00 -0.14 0.00 0.87 -1.47 -1.97 113.55 111.03 2kw4 h SER 66 Ca 0.43 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.85 2kw4 h SER 66 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2kw4 h SER 66 CO -0.09 0.71 -0.44 1.56 -0.53 0.00 0.00 176.83 178.05 2kw4 h GLN 67 N 0.00 0.54 0.00 2.24 4.20 -0.36 -3.00 115.11 118.74 2kw4 h GLN 67 Ca -0.01 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2kw4 h GLN 67 Cb 1.35 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.20 2kw4 h GLN 67 CO 0.09 1.02 0.00 1.28 -0.67 0.00 0.00 178.83 180.55 2kw4 n LEU 68 N -4.26 0.00 -0.14 1.46 4.32 -0.63 -4.87 117.00 112.88 2kw4 n LEU 68 Ca -0.07 0.16 -0.02 0.00 -0.02 0.00 0.00 56.01 56.06 2kw4 n LEU 68 Cb 0.56 -0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 42.19 2kw4 n LEU 68 CO 0.45 -0.02 -0.02 0.61 -1.22 0.00 0.00 177.39 177.20 2kw4 n GLY 69 N 0.92 0.35 0.56 -0.72 0.00 -1.06 -3.66 105.19 101.58 2kw4 n GLY 69 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.41 0.00 -3.89 1.61 0.24 -0.76 -4.64 118.33 108.48 2kw4 n VAL 70 Ca -0.02 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2kw4 n VAL 70 Cb 0.33 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 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 -1.10 0.00 -4.10 7.34 4.01 -1.26 -4.44 118.16 118.61 2kw4 n LYS 71 Ca 0.02 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.63 2kw4 n LYS 71 Cb 0.09 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.54 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 -1.48 -0.18 -5.35 -1.26 -4.99 119.36 106.09 2kw4 n ILE 72 Ca 0.00 -2.25 -0.47 0.00 -0.27 0.00 0.00 62.75 59.76 2kw4 n ILE 72 Cb 0.00 1.06 -0.07 0.00 -1.74 0.00 0.00 39.64 38.90 2kw4 n ILE 72 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2kw4 n ARG 73 N -0.64 1.10 -0.00 6.28 3.00 -1.26 -4.75 116.66 120.40 2kw4 n ARG 73 Ca 0.05 0.26 0.04 0.00 -0.00 0.00 0.00 57.85 58.19 2kw4 n ARG 73 Cb 0.56 -2.62 -0.05 0.00 0.00 0.00 0.00 32.46 30.35 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 7.41 0.00 -1.32 5.15 -5.35 -1.26 -4.45 119.36 119.54 2kw4 n ILE 74 Ca 0.41 -0.27 -0.39 0.00 -0.27 0.00 0.00 62.75 62.24 2kw4 n ILE 74 Cb 0.28 0.74 -0.02 0.00 -1.74 0.00 0.00 39.64 38.90 2kw4 n ILE 74 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2kw4 n LEU 75 N -1.41 6.08 -3.59 7.28 7.99 -1.26 -4.46 117.00 127.64 2kw4 n LEU 75 Ca 0.00 -3.61 -0.27 0.00 -0.01 0.00 0.00 56.01 52.13 2kw4 n LEU 75 Cb 0.15 -1.39 0.04 0.00 -0.11 0.00 0.00 43.42 42.11 2kw4 n LEU 75 CO 0.16 0.77 -0.04 1.41 -1.51 0.00 0.00 177.39 178.18 2kw4 n HIS 76 N 5.73 -2.07 -1.47 -1.77 8.25 -1.26 -4.74 115.22 117.89 2kw4 n HIS 76 Ca 0.55 0.57 -0.51 0.00 -0.26 0.00 0.00 57.72 58.07 2kw4 n HIS 76 Cb 0.32 -3.52 -0.07 0.00 1.12 0.00 0.00 29.99 27.84 2kw4 n HIS 76 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2kw4 n ASP 77 N -2.66 2.25 -2.22 0.41 2.03 -1.26 -4.81 116.55 110.29 2kw4 n ASP 77 Ca -0.10 0.46 -0.19 0.00 0.52 0.00 0.00 54.79 55.49 2kw4 n ASP 77 Cb 0.59 -1.27 -0.11 0.00 -0.72 0.00 0.00 41.12 39.61 2kw4 n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kw4 n TYR 78 N 9.55 0.79 -2.27 -0.67 9.36 -1.26 -4.51 117.16 128.15 2kw4 n TYR 78 Ca 0.39 -1.71 0.00 0.00 3.32 0.00 0.00 57.90 59.90 2kw4 n TYR 78 Cb 0.24 -1.46 0.00 0.00 -0.63 0.00 0.00 39.34 37.48 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 1.66 0.00 -0.26 2.98 0.00 -1.26 -4.87 120.51 118.76 2kw4 n ALA 79 Ca 0.45 0.00 0.20 0.00 0.00 0.00 0.00 53.44 54.09 2kw4 n ALA 79 Cb 0.73 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.69 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 0.94 1.46 0.00 0.00 -1.75 0.29 103.07 104.00 2kw4 h GLY 80 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.18 2kw4 h GLY 80 CO 0.00 -0.03 0.23 -2.22 0.00 0.00 0.00 176.54 174.52 2kw4 h ILE 81 N 0.41 0.33 -0.16 2.60 5.03 -1.88 -0.63 117.51 123.21 2kw4 h ILE 81 Ca 0.50 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 65.28 2kw4 h ILE 81 Cb 1.24 0.81 -0.01 0.00 -3.03 0.00 0.00 36.82 35.83 2kw4 h ILE 81 CO -0.20 0.00 0.32 0.00 -0.68 0.00 0.00 178.15 177.59 2kw4 h ALA 82 N 1.69 1.63 -0.15 1.87 0.00 -0.65 -2.37 119.26 121.29 2kw4 h ALA 82 Ca 0.08 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2kw4 h ALA 82 Cb 0.53 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 2kw4 h ALA 82 CO -0.00 -0.40 -0.39 0.35 0.00 0.00 0.00 179.25 178.81 2kw4 h PHE 83 N 0.00 -1.11 0.00 0.00 3.57 -1.29 -1.56 116.94 116.55 2kw4 h PHE 83 Ca 0.07 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 2kw4 h PHE 83 Cb 0.71 0.51 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 2kw4 h PHE 83 CO 0.00 -0.45 -0.65 -1.49 -2.23 0.00 0.00 178.31 173.49 2kw4 h TRP 84 N -0.45 0.00 -0.82 0.41 6.55 -1.67 -3.09 115.95 116.88 2kw4 h TRP 84 Ca 0.09 0.00 0.24 0.00 0.95 0.00 0.00 58.89 60.16 2kw4 h TRP 84 Cb 0.60 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.87 2kw4 h TRP 84 CO -0.47 0.65 0.65 0.00 -1.05 0.00 0.00 178.44 178.22 2kw4 h ALA 85 N 1.35 2.70 -0.33 1.49 0.00 -1.16 0.25 119.26 123.57 2kw4 h ALA 85 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2kw4 h ALA 85 Cb 1.15 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kw4 h ALA 85 CO 0.08 -1.07 -0.42 1.79 0.00 0.00 0.00 179.25 179.63 2kw4 h THR 86 N 0.00 1.28 -3.58 0.00 1.35 -1.40 -3.49 112.91 107.07 2kw4 h THR 86 Ca 0.39 -1.60 -0.01 0.00 -0.55 0.00 0.00 66.41 64.64 2kw4 h THR 86 Cb 1.68 1.47 0.01 0.00 -1.73 0.00 0.00 68.15 69.58 2kw4 h THR 86 CO -0.00 0.53 -0.03 0.61 -0.25 0.00 0.00 175.52 176.37 2kw4 n GLY 87 N 0.14 -0.38 0.06 5.82 0.00 0.89 -5.05 105.19 106.68 2kw4 n GLY 87 Ca -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 2kw4 n GLY 87 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kw4 n GLU 88 N -1.30 0.32 -3.60 1.61 2.13 -1.26 -5.11 120.64 113.42 2kw4 n GLU 88 Ca -0.00 0.13 -0.04 0.00 0.66 0.00 0.00 57.16 57.90 2kw4 n GLU 88 Cb 0.50 -1.05 -0.02 0.00 0.27 0.00 0.00 31.44 31.14 2kw4 n GLU 88 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 2kw4 s TRP 89 N -2.14 -0.12 -0.75 4.31 1.48 -1.26 -5.10 118.94 115.35 2kw4 s TRP 89 Ca -0.17 0.09 -0.19 0.00 -1.06 0.00 0.00 56.10 54.76 2kw4 s TRP 89 Cb 0.02 0.51 0.12 0.00 -1.16 0.00 0.00 33.47 32.96 2kw4 s TRP 89 CO 0.26 -0.19 0.92 -1.59 -4.06 0.00 0.00 176.95 172.29 2kw4 s LYS 90 N -2.31 3.32 -0.07 3.25 -2.85 -1.26 -4.71 119.74 115.10 2kw4 s LYS 90 Ca 0.09 -1.48 -0.25 0.00 -1.00 0.00 0.00 55.97 53.32 2kw4 s LYS 90 Cb -0.01 -4.51 -0.25 0.00 -2.06 0.00 0.00 37.83 31.00 2kw4 s LYS 90 CO -0.04 -1.66 0.96 0.00 0.10 0.00 0.00 175.35 174.70 2kw4 h ALA 91 N 9.00 0.01 0.25 0.59 0.00 -1.91 -3.37 119.26 123.83 2kw4 h ALA 91 Ca -0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2kw4 h ALA 91 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kw4 h ALA 91 CO 1.09 0.07 -0.12 0.87 0.00 0.00 0.00 179.25 181.16 2kw4 h LYS 92 N -0.62 -0.32 -6.96 0.00 1.79 -1.79 -3.47 116.57 105.20 2kw4 h LYS 92 Ca -0.03 0.02 -0.57 0.00 -2.18 0.00 0.00 60.65 57.89 2kw4 h LYS 92 Cb 1.04 0.07 -0.33 0.00 -1.58 0.00 0.00 32.23 31.43 2kw4 h LYS 92 CO 0.04 0.04 -0.83 0.27 -1.08 0.00 0.00 179.45 177.90 2kw4 n ASN 93 N -5.05 -1.98 0.00 0.86 6.94 -1.26 -4.77 115.26 110.00 2kw4 n ASN 93 Ca -0.09 -1.08 0.00 0.00 -0.02 0.00 0.00 54.58 53.40 2kw4 n ASN 93 Cb 0.26 -1.72 0.00 0.00 -2.36 0.00 0.00 39.78 35.96 2kw4 n ASN 93 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2kw4 n GLU 94 N -3.98 0.00 -0.00 -3.83 -0.58 -1.26 -4.97 120.64 106.03 2kw4 n GLU 94 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2kw4 n GLU 94 Cb 0.46 -0.02 -0.00 0.00 -0.57 0.00 0.00 31.44 31.30 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 -1.68 0.00 -0.21 -0.32 -0.00 -1.26 -4.67 117.46 109.32 2kw4 n PHE 95 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.61 2kw4 n PHE 95 Cb 0.00 -0.01 0.48 0.00 -0.00 0.00 0.00 39.48 39.95 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 0.00 0.76 -0.81 -2.13 2.02 -1.90 -0.37 112.91 110.49 2kw4 h THR 96 Ca 0.00 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.06 2kw4 h THR 96 Cb 0.03 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 66.64 2kw4 h THR 96 CO 0.00 0.08 0.51 1.56 0.37 0.00 0.00 175.52 178.04 2kw4 h GLN 97 N 0.46 0.94 -1.02 6.66 7.50 -1.83 -1.76 115.11 126.06 2kw4 h GLN 97 Ca 0.42 -0.06 0.25 0.00 0.50 0.00 0.00 58.65 59.77 2kw4 h GLN 97 Cb 0.94 -0.21 -0.09 0.00 0.05 0.00 0.00 27.48 28.16 2kw4 h GLN 97 CO -0.15 0.62 0.66 0.00 -1.50 0.00 0.00 178.83 178.46 2kw4 h ALA 98 N 1.36 2.21 -0.42 3.87 0.00 -1.38 -0.15 119.26 124.76 2kw4 h ALA 98 Ca 0.33 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.37 2kw4 h ALA 98 Cb 0.07 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 2kw4 h ALA 98 CO -0.13 -0.60 0.02 -0.92 0.00 0.00 0.00 179.25 177.62 2kw4 h TYR 99 N 0.41 0.02 0.00 0.00 3.20 -1.39 0.92 116.97 120.13 2kw4 h TYR 99 Ca 0.58 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.47 2kw4 h TYR 99 Cb 1.44 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.77 2kw4 h TYR 99 CO -0.00 -0.06 -0.03 0.00 -1.64 0.00 0.00 178.16 176.43 2kw4 h ALA 100 N 1.36 1.68 0.04 1.82 0.00 -1.13 -2.69 119.26 120.34 2kw4 h ALA 100 Ca 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2kw4 h ALA 100 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kw4 h ALA 100 CO -0.33 0.04 -0.02 0.87 0.00 0.00 0.00 179.25 179.81 2kw4 h LYS 101 N 0.00 -0.05 -0.28 0.00 1.79 -0.77 -3.20 116.57 114.06 2kw4 h LYS 101 Ca -0.00 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.56 2kw4 h LYS 101 Cb 0.06 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2kw4 h LYS 101 CO 0.00 0.60 0.37 -0.07 -1.08 0.00 0.00 179.45 179.27 2kw4 h LEU 102 N -0.79 0.00 0.09 2.94 3.38 -0.84 -2.69 115.31 117.40 2kw4 h LEU 102 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kw4 h LEU 102 Cb 0.67 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2kw4 h LEU 102 CO 0.01 0.00 -0.22 -0.03 0.09 0.00 0.00 178.44 178.29 2kw4 h MET 103 N 0.00 -0.33 -0.44 1.13 4.05 -1.48 -1.66 114.93 116.20 2kw4 h MET 103 Ca 0.14 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.70 2kw4 h MET 103 Cb 0.87 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.72 2kw4 h MET 103 CO -0.00 -0.22 0.31 -0.97 0.23 0.00 0.00 176.91 176.26 2kw4 h ASN 104 N -0.34 0.05 -0.62 1.39 -1.24 -1.64 0.27 115.58 113.45 2kw4 h ASN 104 Ca -0.01 0.00 0.13 0.00 0.71 0.00 0.00 56.30 57.13 2kw4 h ASN 104 Cb 0.33 -0.01 -0.10 0.00 0.73 0.00 0.00 38.32 39.26 2kw4 h ASN 104 CO -0.09 0.03 0.04 -0.61 -1.29 0.00 0.00 177.43 175.50 2kw4 h GLN 105 N 0.06 0.15 -0.29 6.67 -0.00 -1.24 -2.89 115.11 117.55 2kw4 h GLN 105 Ca 0.21 -0.01 -0.24 0.00 -0.00 0.00 0.00 58.65 58.61 2kw4 h GLN 105 Cb 0.76 -0.03 -0.28 0.00 0.00 0.00 0.00 27.48 27.92 2kw4 h GLN 105 CO -0.01 0.10 -0.83 2.48 0.00 0.00 0.00 178.83 180.56 2kw4 n TYR 106 N -5.25 1.02 -2.76 3.99 0.18 -0.74 -5.06 117.16 108.54 2kw4 n TYR 106 Ca 0.09 -1.61 -0.42 0.00 1.88 0.00 0.00 57.90 57.85 2kw4 n TYR 106 Cb 0.36 -0.25 -0.03 0.00 -0.38 0.00 0.00 39.34 39.04 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 -2.75 4.48 0.00 -3.48 3.00 0.88 -4.40 118.95 116.69 2kw4 s ARG 107 Ca 0.39 1.31 0.00 0.00 -1.00 0.00 0.00 55.73 56.43 2kw4 s ARG 107 Cb 0.38 -3.49 0.00 0.00 0.00 0.00 0.00 34.95 31.83 2kw4 s ARG 107 CO -0.06 -0.14 0.00 0.41 0.00 0.00 0.00 175.30 175.52 2kw4 n GLY 108 N 3.03 0.16 0.07 8.12 0.00 -1.26 -4.97 105.19 110.34 2kw4 n GLY 108 Ca 0.06 0.00 -0.09 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 0.94 -4.39 -0.61 -0.00 -1.26 -5.04 119.36 109.00 2kw4 n ILE 109 Ca 0.00 -0.50 -0.30 0.00 -0.00 0.00 0.00 62.75 61.95 2kw4 n ILE 109 Cb 0.00 -0.82 -0.05 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 -2.33 1.84 0.03 4.28 1.13 -1.26 -4.35 117.35 116.68 2kw4 s TYR 110 Ca -0.13 -0.88 -0.00 0.00 -1.41 0.00 0.00 57.07 54.65 2kw4 s TYR 110 Cb 0.05 -1.75 -0.02 0.00 -1.10 0.00 0.00 41.96 39.13 2kw4 s TYR 110 CO 0.49 -0.03 -0.03 -1.12 -2.51 0.00 0.00 175.55 172.34 2kw4 s SER 111 N -4.03 0.32 -0.02 -0.18 0.01 -1.26 -4.99 113.70 103.55 2kw4 s SER 111 Ca 0.19 -0.59 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 2kw4 s SER 111 Cb 0.00 0.11 0.11 0.00 0.21 0.00 0.00 66.02 66.46 2kw4 s SER 111 CO 0.11 -0.35 1.29 -0.36 0.41 0.00 0.00 173.24 174.35 2kw4 s PHE 112 N -1.88 -0.02 0.52 2.43 0.08 -1.26 -4.72 117.98 113.12 2kw4 s PHE 112 Ca -0.12 -0.09 -0.03 0.00 0.12 0.00 0.00 56.93 56.81 2kw4 s PHE 112 Cb -0.07 0.55 -0.00 0.00 -0.57 0.00 0.00 43.02 42.93 2kw4 s PHE 112 CO -0.02 -0.27 0.79 -2.00 -0.10 0.00 0.00 175.22 173.61 2kw4 s GLU 113 N -2.29 3.05 -1.17 0.44 2.56 -1.26 -4.96 118.70 115.08 2kw4 s GLU 113 Ca 0.18 -0.19 -0.22 0.00 0.00 0.00 0.00 54.97 54.74 2kw4 s GLU 113 Cb 0.03 -2.41 -0.07 0.00 2.00 0.00 0.00 34.13 33.69 2kw4 s GLU 113 CO -0.03 -0.46 1.91 1.17 -0.56 0.00 0.00 175.26 177.29 2kw4 n LYS 114 N -2.33 1.86 -1.47 4.30 4.81 -1.26 -4.90 118.16 119.17 2kw4 n LYS 114 Ca 0.03 -2.53 -0.51 0.00 -0.87 0.00 0.00 58.31 54.42 2kw4 n LYS 114 Cb 0.57 -3.60 -0.07 0.00 0.02 0.00 0.00 35.03 31.95 2kw4 n LYS 114 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2kw4 n VAL 115 N 7.35 0.21 0.00 3.15 0.24 -1.26 -4.89 118.33 123.13 2kw4 n VAL 115 Ca 0.46 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 2kw4 n VAL 115 Cb 0.46 -1.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.21 2kw4 n VAL 115 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2kw4 n LYS 116 N 7.96 0.00 0.00 7.34 4.76 -1.26 -4.10 118.16 132.86 2kw4 n LYS 116 Ca 0.40 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 2kw4 n LYS 116 Cb 0.22 -0.78 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 2kw4 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kw4 n ALA 117 N -0.69 0.00 -3.74 7.82 0.00 -1.26 -3.61 120.51 119.02 2kw4 n ALA 117 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2kw4 n ALA 117 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2kw4 n ALA 117 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2kw4 n HIS 118 N -0.18 -0.02 -2.04 0.00 -0.00 -1.26 -3.61 115.22 108.10 2kw4 n HIS 118 Ca 0.00 -0.37 0.00 0.00 0.46 0.00 0.00 57.72 57.81 2kw4 n HIS 118 Cb 0.00 0.15 0.00 0.00 -0.12 0.00 0.00 29.99 30.02 2kw4 n HIS 118 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2kw4 n SER 119 N -0.72 0.00 -4.53 0.26 3.41 -1.26 -4.32 113.62 106.47 2kw4 n SER 119 Ca 0.05 -0.91 -0.33 0.00 -0.26 0.00 0.00 58.87 57.42 2kw4 n SER 119 Cb 0.41 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 2kw4 n SER 119 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2kw4 s GLY 120 N -2.30 1.63 0.00 5.00 0.00 -1.26 -4.96 107.32 105.42 2kw4 s GLY 120 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2kw4 s GLY 120 CO 0.00 -0.61 0.00 0.70 0.00 0.00 0.00 173.10 173.19 2kw4 n ASN 121 N 2.46 0.00 -0.49 1.64 3.02 -1.26 -5.00 115.26 115.63 2kw4 n ASN 121 Ca -0.18 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.45 2kw4 n ASN 121 Cb 0.53 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.72 2kw4 n ASN 121 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2kw4 n GLU 122 N 0.00 1.53 0.07 3.52 2.13 -1.26 -4.47 120.64 122.16 2kw4 n GLU 122 Ca 0.00 -1.09 0.21 0.00 0.66 0.00 0.00 57.16 56.94 2kw4 n GLU 122 Cb 0.00 -1.29 0.74 0.00 0.27 0.00 0.00 31.44 31.16 2kw4 n GLU 122 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2kw4 h PHE 123 N 2.39 0.00 -0.01 4.31 -5.15 -1.96 0.19 116.94 116.70 2kw4 h PHE 123 Ca 0.00 0.00 -0.23 0.00 -0.20 0.00 0.00 57.97 57.54 2kw4 h PHE 123 Cb 0.60 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.78 2kw4 h PHE 123 CO 0.00 0.00 -0.94 -2.95 -2.00 0.00 0.00 178.31 172.42 2kw4 h ASN 124 N 0.00 0.62 -0.14 -0.68 7.08 -1.86 -2.73 115.58 117.87 2kw4 h ASN 124 Ca 0.21 -0.48 0.04 0.00 -3.08 0.00 0.00 56.30 52.99 2kw4 h ASN 124 Cb 1.10 -0.19 -0.01 0.00 -2.08 0.00 0.00 38.32 37.15 2kw4 h ASN 124 CO -0.00 1.28 0.20 0.44 -2.08 0.00 0.00 177.43 177.26 2kw4 h ASP 125 N 0.28 0.00 -0.94 6.14 5.19 -0.92 -1.50 116.42 124.66 2kw4 h ASP 125 Ca -0.08 0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.51 2kw4 h ASP 125 Cb 1.57 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 41.00 2kw4 h ASP 125 CO 0.17 0.00 0.60 0.22 -3.12 0.00 0.00 179.24 177.11 2kw4 h TYR 126 N 0.00 0.76 -0.09 4.55 5.03 -1.51 0.32 116.97 126.03 2kw4 h TYR 126 Ca 0.06 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.43 2kw4 h TYR 126 Cb 0.46 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.50 2kw4 h TYR 126 CO 0.00 0.21 0.24 -0.39 -1.32 0.00 0.00 178.16 176.90 2kw4 h VAL 127 N 0.58 0.16 0.29 1.81 -1.51 -1.49 -1.81 116.25 114.28 2kw4 h VAL 127 Ca 0.50 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.96 2kw4 h VAL 127 Cb 1.00 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2kw4 h VAL 127 CO -0.25 0.00 -0.14 -0.78 -1.23 0.00 0.00 177.57 175.18 2kw4 h ASP 128 N 0.00 -0.32 -0.24 4.19 1.82 -0.54 0.34 116.42 121.66 2kw4 h ASP 128 Ca 0.04 -0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.56 2kw4 h ASP 128 Cb 0.53 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 2kw4 h ASP 128 CO -0.00 -0.17 -0.18 -0.03 -1.61 0.00 0.00 179.24 177.25 2kw4 h MET 129 N -0.46 0.55 -0.09 0.28 4.05 -1.49 -2.68 114.93 115.10 2kw4 h MET 129 Ca -0.04 -0.27 0.00 0.00 -0.28 0.00 0.00 59.70 59.11 2kw4 h MET 129 Cb 0.35 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2kw4 h MET 129 CO 0.06 0.85 0.06 -0.22 0.23 0.00 0.00 176.91 177.89 2kw4 h LYS 130 N 0.27 0.12 -0.53 0.39 3.11 -1.42 -2.29 116.57 116.21 2kw4 h LYS 130 Ca 0.05 -0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.95 2kw4 h LYS 130 Cb 0.72 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.89 2kw4 h LYS 130 CO 0.05 0.08 0.36 0.00 -2.81 0.00 0.00 179.45 177.12 2kw4 h ALA 131 N 1.04 1.91 -0.82 5.00 0.00 -0.35 -1.02 119.26 125.02 2kw4 h ALA 131 Ca 0.03 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.17 2kw4 h ALA 131 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2kw4 h ALA 131 CO -0.01 -0.00 0.59 -0.22 0.00 0.00 0.00 179.25 179.60 2kw4 h LYS 132 N 0.46 0.00 -0.14 0.00 3.64 -1.05 0.11 116.57 119.60 2kw4 h LYS 132 Ca 0.23 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 2kw4 h LYS 132 Cb 0.34 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2kw4 h LYS 132 CO -0.06 0.00 -0.20 1.03 -2.27 0.00 0.00 179.45 177.94 2kw4 h SER 133 N 0.00 0.42 -0.56 4.20 0.87 -1.24 -3.04 113.55 114.19 2kw4 h SER 133 Ca 0.39 -0.52 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2kw4 h SER 133 Cb 1.56 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.37 2kw4 h SER 133 CO -0.00 0.86 0.37 0.00 -0.53 0.00 0.00 176.83 177.53 2kw4 h ALA 134 N 0.57 1.63 -0.73 6.23 0.00 -1.08 -1.99 119.26 123.88 2kw4 h ALA 134 Ca 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2kw4 h ALA 134 Cb 0.77 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2kw4 h ALA 134 CO 0.05 0.34 0.28 1.25 0.00 0.00 0.00 179.25 181.17 2kw4 h LEU 135 N 0.74 1.01 0.00 0.00 7.12 -1.36 -3.47 115.31 119.35 2kw4 h LEU 135 Ca 0.21 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.07 2kw4 h LEU 135 Cb -0.04 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 39.83 2kw4 h LEU 135 CO -0.05 0.90 0.00 0.61 -0.13 0.00 0.00 178.44 179.77 2kw4 n GLY 136 N -0.91 1.94 3.75 3.75 0.00 -0.75 -5.08 105.19 107.89 2kw4 n GLY 136 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 2.24 0.23 -0.61 -1.09 -1.19 -5.03 121.20 113.75 2kw4 s ILE 137 Ca 0.00 0.17 0.08 0.00 -2.23 0.00 0.00 60.65 58.67 2kw4 s ILE 137 Cb 0.00 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.76 2kw4 s ILE 137 CO 0.00 -0.02 0.04 0.00 -1.23 0.00 0.00 174.94 173.73 2kw4 s ARG 138 N -3.07 2.46 -0.09 2.79 3.03 -1.26 -4.99 118.95 117.82 2kw4 s ARG 138 Ca 0.75 -1.23 -0.31 0.00 2.03 0.00 0.00 55.73 56.96 2kw4 s ARG 138 Cb -0.37 -2.31 0.11 0.00 -1.03 0.00 0.00 34.95 31.35 2kw4 s ARG 138 CO 0.42 0.41 1.38 0.34 -1.13 0.00 0.00 175.30 176.72 2kw4 s ASP 139 N -3.44 -0.00 0.20 -2.89 2.15 -1.26 -5.19 116.67 106.24 2kw4 s ASP 139 Ca 0.30 -0.03 -0.17 0.00 0.43 0.00 0.00 52.55 53.07 2kw4 s ASP 139 Cb -0.08 0.03 0.03 0.00 -0.30 0.00 0.00 42.92 42.60 2kw4 s ASP 139 CO 0.20 -0.05 0.53 -1.48 -0.17 0.00 0.00 175.17 174.20 2kw4 s LEU 140 N -3.74 0.07 0.00 -1.34 -0.00 -1.26 -5.18 118.68 107.23 2kw4 s LEU 140 Ca 0.28 -0.49 -0.15 0.00 -0.00 0.00 0.00 54.13 53.77 2kw4 s LEU 140 Cb 0.02 2.15 0.05 0.00 -0.00 0.00 0.00 46.19 48.41 2kw4 s LEU 140 CO -0.04 -1.06 0.72 -0.62 -0.00 0.00 0.00 176.35 175.35 2kw4 n GLU 141 N -0.35 0.26 -2.75 1.48 1.02 -1.26 -5.07 120.64 113.97 2kw4 n GLU 141 Ca -0.10 -0.70 -0.04 0.00 -0.02 0.00 0.00 57.16 56.30 2kw4 n GLU 141 Cb 0.62 1.02 0.05 0.00 -0.02 0.00 0.00 31.44 33.12 2kw4 n GLU 141 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kw4 n HIS 142 N -0.51 0.80 -4.16 -0.32 1.44 -1.26 -5.11 115.22 106.10 2kw4 n HIS 142 Ca 0.01 -2.34 -0.14 0.00 -2.01 0.00 0.00 57.72 53.24 2kw4 n HIS 142 Cb 0.36 -0.07 -0.08 0.00 0.12 0.00 0.00 29.99 30.33 2kw4 n HIS 142 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kw4 s HIS 143 N -3.08 1.13 -0.29 -1.40 5.04 -1.26 -5.18 115.29 110.26 2kw4 s HIS 143 Ca 0.25 -1.31 -0.32 0.00 -1.54 0.00 0.00 55.06 52.15 2kw4 s HIS 143 Cb 0.39 -0.36 0.18 0.00 0.04 0.00 0.00 32.58 32.82 2kw4 s HIS 143 CO -0.02 -0.85 1.37 -1.58 -2.34 0.00 0.00 174.74 171.32 2kw4 s HIS 144 N -3.76 -0.03 -0.20 3.88 2.46 -1.26 -5.19 115.29 111.20 2kw4 s HIS 144 Ca 0.35 0.04 -0.31 0.00 0.47 0.00 0.00 55.06 55.60 2kw4 s HIS 144 Cb 0.03 0.50 0.15 0.00 -0.13 0.00 0.00 32.58 33.13 2kw4 s HIS 144 CO 0.17 -0.03 1.17 -1.58 -2.47 0.00 0.00 174.74 172.00 2kw4 s HIS 145 N -1.37 -0.19 0.15 3.88 5.04 -1.26 -5.19 115.29 116.36 2kw4 s HIS 145 Ca 0.10 0.25 0.01 0.00 -1.54 0.00 0.00 55.06 53.88 2kw4 s HIS 145 Cb -0.01 0.49 -0.04 0.00 0.04 0.00 0.00 32.58 33.06 2kw4 s HIS 145 CO -0.06 -0.21 0.00 -1.58 -2.34 0.00 0.00 174.74 170.55 2kw4 s HIS 146 N -1.61 1.08 0.00 3.88 2.46 -1.26 -5.35 115.29 114.49 2kw4 s HIS 146 Ca 0.06 -1.05 0.00 0.00 0.47 0.00 0.00 55.06 54.53 2kw4 s HIS 146 Cb -0.01 -0.62 0.00 0.00 -0.13 0.00 0.00 32.58 31.82 2kw4 s HIS 146 CO -0.04 -0.27 0.39 1.58 -2.47 0.00 0.00 174.74 173.93