#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw4 n ASP 2 N 0.00 -6.61 -1.12 7.83 2.03 -1.26 -4.39 116.55 113.02 2kw4 n ASP 2 Ca 0.00 0.62 0.00 0.00 0.52 0.00 0.00 54.79 55.93 2kw4 n ASP 2 Cb 0.00 -1.73 0.00 0.00 -0.72 0.00 0.00 41.12 38.67 2kw4 n ASP 2 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kw4 n ASP 3 N -3.27 0.47 -0.97 1.67 5.75 -1.26 -2.29 116.55 116.65 2kw4 n ASP 3 Ca 0.00 -0.91 -0.06 0.00 -0.01 0.00 0.00 54.79 53.81 2kw4 n ASP 3 Cb 0.26 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.29 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 -1.09 0.11 1.85 -1.26 -4.75 116.66 111.52 2kw4 n ARG 4 Ca 0.00 -0.94 -0.35 0.00 -1.00 0.00 0.00 57.85 55.57 2kw4 n ARG 4 Cb 0.00 0.43 0.10 0.00 -1.05 0.00 0.00 32.46 31.94 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 1.34 0.00 8.89 -2.24 -1.26 -4.94 114.28 116.08 2kw4 n THR 5 Ca -0.24 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2kw4 n THR 5 Cb 0.70 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.65 0.00 0.00 -0.78 4.07 -1.26 -4.96 120.64 116.06 2kw4 n GLU 6 Ca 0.10 0.39 0.00 0.00 -0.06 0.00 0.00 57.16 57.59 2kw4 n GLU 6 Cb 0.51 -1.23 0.00 0.00 -0.06 0.00 0.00 31.44 30.67 2kw4 n GLU 6 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2kw4 n TYR 7 N -1.42 -0.68 -2.77 4.31 4.01 -1.26 -5.02 117.16 114.33 2kw4 n TYR 7 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 2kw4 n TYR 7 Cb 0.00 0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 2kw4 n TYR 7 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2kw4 s ASP 8 N 0.53 6.48 0.03 7.72 2.15 -1.25 -2.62 116.67 129.70 2kw4 s ASP 8 Ca 0.00 1.14 -0.10 0.00 0.43 0.00 0.00 52.55 54.02 2kw4 s ASP 8 Cb 0.00 -2.33 -0.05 0.00 -0.30 0.00 0.00 42.92 40.24 2kw4 s ASP 8 CO 0.00 -0.45 0.35 -0.69 -0.17 0.00 0.00 175.17 174.21 2kw4 s VAL 9 N -2.46 5.15 -1.18 1.11 1.01 -1.26 -4.42 120.40 118.36 2kw4 s VAL 9 Ca 0.51 0.48 -0.23 0.00 0.00 0.00 0.00 61.98 62.75 2kw4 s VAL 9 Cb -0.10 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 2kw4 s VAL 9 CO 0.34 0.41 1.94 -0.47 0.00 0.00 0.00 175.10 177.32 2kw4 s TYR 10 N -1.26 1.95 0.54 5.22 5.04 -1.26 -4.88 117.35 122.69 2kw4 s TYR 10 Ca 0.28 0.47 0.03 0.00 -2.44 0.00 0.00 57.07 55.41 2kw4 s TYR 10 Cb -0.14 -4.00 0.02 0.00 0.35 0.00 0.00 41.96 38.19 2kw4 s TYR 10 CO 0.15 -1.22 0.25 0.95 -1.34 0.00 0.00 175.55 174.34 2kw4 s THR 11 N 11.00 1.40 0.00 4.34 -4.23 -1.26 -3.23 115.64 123.66 2kw4 s THR 11 Ca 0.68 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 2kw4 s THR 11 Cb -0.01 -2.09 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 -1.59 -4.70 -3.38 3.99 8.00 -1.23 -4.78 116.55 112.86 2kw4 n ASP 12 Ca -0.09 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 2kw4 n ASP 12 Cb 0.65 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.76 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 0.00 -1.24 3.63 0.44 0.00 -1.26 -4.62 105.19 102.14 2kw4 n GLY 13 Ca 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 46.42 2kw4 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kw4 s SER 14 N -3.06 -0.75 -0.17 1.61 0.01 -1.26 -4.94 113.70 105.13 2kw4 s SER 14 Ca 0.06 1.40 -0.35 0.00 1.31 0.00 0.00 55.95 58.37 2kw4 s SER 14 Cb -0.02 1.40 0.15 0.00 0.21 0.00 0.00 66.02 67.76 2kw4 s SER 14 CO 0.81 -0.24 1.40 -0.72 0.41 0.00 0.00 173.24 174.90 2kw4 s TYR 15 N 0.62 -0.01 -0.12 2.43 -0.85 -1.26 -1.97 117.35 116.18 2kw4 s TYR 15 Ca -0.02 -0.00 -0.02 0.00 -0.52 0.00 0.00 57.07 56.51 2kw4 s TYR 15 Cb -0.05 0.51 0.04 0.00 0.38 0.00 0.00 41.96 42.84 2kw4 s TYR 15 CO -0.04 -0.04 0.03 0.54 -1.52 0.00 0.00 175.55 174.52 2kw4 s VAL 16 N -2.07 0.32 0.00 -3.49 0.11 -1.25 -4.93 120.40 109.09 2kw4 s VAL 16 Ca 0.13 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 2kw4 s VAL 16 Cb 0.04 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 2kw4 s VAL 16 CO -0.05 0.03 0.00 -3.20 -3.33 0.00 0.00 175.10 168.55 2kw4 n ASN 17 N 5.15 0.00 -0.60 3.54 2.85 -1.26 -2.17 115.26 122.77 2kw4 n ASN 17 Ca -0.07 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.38 2kw4 n ASN 17 Cb 0.49 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.49 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 0.74 2.28 8.20 0.00 -1.26 -5.14 105.19 110.01 2kw4 n GLY 18 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2kw4 n GLY 18 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kw4 n GLN 19 N 0.00 0.92 -4.55 1.61 7.27 -0.92 -5.04 117.38 116.66 2kw4 n GLN 19 Ca -0.08 -1.98 -0.34 0.00 0.07 0.00 0.00 57.00 54.68 2kw4 n GLN 19 Cb 0.51 0.09 -0.12 0.00 2.41 0.00 0.00 30.24 33.13 2kw4 n GLN 19 CO 0.00 0.00 0.00 1.52 0.07 0.00 0.00 177.06 178.65 2kw4 s TYR 20 N -1.45 2.96 0.35 3.69 1.13 -1.26 -3.93 117.35 118.84 2kw4 s TYR 20 Ca 0.25 -0.19 0.03 0.00 -1.41 0.00 0.00 57.07 55.75 2kw4 s TYR 20 Cb -0.02 -1.83 -0.05 0.00 -1.10 0.00 0.00 41.96 38.97 2kw4 s TYR 20 CO 0.16 0.12 0.09 0.00 -2.51 0.00 0.00 175.55 173.40 2kw4 s ALA 21 N -0.19 2.51 -0.13 9.51 0.00 -0.83 -2.68 121.76 129.95 2kw4 s ALA 21 Ca 0.03 -1.71 -0.07 0.00 0.00 0.00 0.00 51.96 50.20 2kw4 s ALA 21 Cb -0.13 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.77 2kw4 s ALA 21 CO 0.03 -0.33 0.32 1.67 0.00 0.00 0.00 175.76 177.44 2kw4 s TRP 22 N -3.32 -0.45 0.26 0.00 1.48 -0.65 -3.79 118.94 112.47 2kw4 s TRP 22 Ca 0.32 1.00 0.02 0.00 -1.06 0.00 0.00 56.10 56.37 2kw4 s TRP 22 Cb 0.06 0.15 -0.05 0.00 -1.16 0.00 0.00 33.47 32.47 2kw4 s TRP 22 CO 0.15 -0.28 0.08 0.00 -4.06 0.00 0.00 176.95 172.85 2kw4 s ALA 23 N 1.24 1.76 0.26 2.67 0.00 -1.26 -2.77 121.76 123.66 2kw4 s ALA 23 Ca -0.09 -1.86 -0.21 0.00 0.00 0.00 0.00 51.96 49.80 2kw4 s ALA 23 Cb -0.09 0.96 0.03 0.00 0.00 0.00 0.00 23.12 24.02 2kw4 s ALA 23 CO -0.10 -0.43 0.69 1.52 0.00 0.00 0.00 175.76 177.44 2kw4 s TYR 24 N -3.70 -0.25 -0.19 0.00 -0.85 -1.20 -4.03 117.35 107.14 2kw4 s TYR 24 Ca 0.37 -0.16 -0.03 0.00 -0.52 0.00 0.00 57.07 56.73 2kw4 s TYR 24 Cb 0.08 0.67 -0.01 0.00 0.38 0.00 0.00 41.96 43.08 2kw4 s TYR 24 CO 0.13 -1.16 -0.07 0.00 -1.52 0.00 0.00 175.55 172.94 2kw4 s ALA 25 N -3.89 2.78 -0.10 9.51 0.00 -1.25 -4.68 121.76 124.14 2kw4 s ALA 25 Ca 0.09 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 2kw4 s ALA 25 Cb -0.05 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 2kw4 s ALA 25 CO 0.03 -0.20 -0.05 -0.06 0.00 0.00 0.00 175.76 175.48 2kw4 s PHE 26 N 1.09 3.01 -0.07 0.00 0.40 -1.26 -4.85 117.98 116.29 2kw4 s PHE 26 Ca 0.01 -0.05 -0.03 0.00 -0.60 0.00 0.00 56.93 56.26 2kw4 s PHE 26 Cb -0.15 -1.80 0.04 0.00 0.51 0.00 0.00 43.02 41.62 2kw4 s PHE 26 CO -0.01 0.24 0.16 0.08 0.70 0.00 0.00 175.22 176.39 2kw4 s VAL 27 N -0.45 -0.06 -0.04 -0.44 1.01 -1.26 -2.76 120.40 116.38 2kw4 s VAL 27 Ca 0.07 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.29 2kw4 s VAL 27 Cb -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 2kw4 s VAL 27 CO 0.02 0.08 -0.19 -0.54 0.00 0.00 0.00 175.10 174.47 2kw4 s LYS 28 N 1.26 1.91 -0.42 2.72 -0.14 0.87 -4.66 119.74 121.28 2kw4 s LYS 28 Ca -0.08 -0.68 0.00 0.00 -1.36 0.00 0.00 55.97 53.84 2kw4 s LYS 28 Cb -0.11 -1.67 0.00 0.00 -1.68 0.00 0.00 37.83 34.36 2kw4 s LYS 28 CO -0.06 0.30 0.00 -0.25 -0.76 0.00 0.00 175.35 174.58 2kw4 n ASP 29 N 3.02 -4.88 0.00 2.83 8.00 -0.97 -1.93 116.55 122.62 2kw4 n ASP 29 Ca -0.17 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2kw4 n ASP 29 Cb 0.53 -2.72 0.00 0.00 -0.02 0.00 0.00 41.12 38.90 2kw4 n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kw4 n GLY 30 N -0.64 0.83 3.24 0.44 0.00 -1.25 -4.88 105.19 102.93 2kw4 n GLY 30 Ca -0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 0.91 -0.03 1.61 -2.85 -0.81 -4.86 119.74 111.98 2kw4 s LYS 31 Ca 0.00 -0.82 -0.34 0.00 -1.00 0.00 0.00 55.97 53.81 2kw4 s LYS 31 Cb 0.00 0.38 -0.12 0.00 -2.06 0.00 0.00 37.83 36.03 2kw4 s LYS 31 CO 0.00 -0.31 1.82 0.28 0.10 0.00 0.00 175.35 177.23 2kw4 n VAL 32 N -0.03 0.46 -0.08 1.79 0.31 -1.26 -0.09 118.33 119.42 2kw4 n VAL 32 Ca -0.16 -0.08 -0.17 0.00 -0.01 0.00 0.00 64.34 63.92 2kw4 n VAL 32 Cb 0.62 -1.81 -0.07 0.00 -0.91 0.00 0.00 33.84 31.67 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 5.94 0.00 -4.47 3.52 -0.00 -1.11 -4.76 115.22 114.33 2kw4 n HIS 33 Ca 0.21 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 58.16 2kw4 n HIS 33 Cb 0.30 -0.62 -0.09 0.00 -0.12 0.00 0.00 29.99 29.46 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 1.80 -0.30 1.57 2.02 -1.25 -5.02 117.35 113.86 2kw4 s TYR 34 Ca -0.23 -1.20 -0.14 0.00 -0.37 0.00 0.00 57.07 55.13 2kw4 s TYR 34 Cb 0.08 -1.15 0.18 0.00 -0.40 0.00 0.00 41.96 40.67 2kw4 s TYR 34 CO 0.32 -0.24 1.10 -1.21 -1.57 0.00 0.00 175.55 173.95 2kw4 s GLU 35 N -3.79 0.12 -0.16 -0.62 2.02 -1.26 -4.29 118.70 110.71 2kw4 s GLU 35 Ca 0.29 0.16 -0.34 0.00 0.02 0.00 0.00 54.97 55.09 2kw4 s GLU 35 Cb 0.05 0.08 0.14 0.00 0.10 0.00 0.00 34.13 34.50 2kw4 s GLU 35 CO 0.15 -0.18 1.25 -0.51 0.02 0.00 0.00 175.26 175.99 2kw4 s ASP 36 N 2.97 -0.10 0.21 -0.19 1.01 -1.26 -5.16 116.67 114.15 2kw4 s ASP 36 Ca 0.13 -0.03 -0.01 0.00 0.71 0.00 0.00 52.55 53.35 2kw4 s ASP 36 Cb -0.05 0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.97 2kw4 s ASP 36 CO -0.16 -0.22 0.13 0.00 0.21 0.00 0.00 175.17 175.13 2kw4 s ALA 37 N -2.37 1.24 0.09 5.23 0.00 -1.26 -4.41 121.76 120.27 2kw4 s ALA 37 Ca 0.11 -1.72 -0.12 0.00 0.00 0.00 0.00 51.96 50.23 2kw4 s ALA 37 Cb 0.01 1.37 0.01 0.00 0.00 0.00 0.00 23.12 24.51 2kw4 s ALA 37 CO -0.04 -0.58 0.27 -0.51 0.00 0.00 0.00 175.76 174.90 2kw4 s ASP 38 N -3.18 -0.03 0.39 0.00 1.01 -1.11 -5.04 116.67 108.70 2kw4 s ASP 38 Ca 0.39 -0.46 0.08 0.00 0.71 0.00 0.00 52.55 53.27 2kw4 s ASP 38 Cb 0.07 0.38 -0.06 0.00 1.01 0.00 0.00 42.92 44.32 2kw4 s ASP 38 CO 0.13 -0.74 0.06 0.68 0.21 0.00 0.00 175.17 175.51 2kw4 s VAL 39 N -3.55 2.28 0.00 -1.27 -7.23 -1.26 -1.64 120.40 107.73 2kw4 s VAL 39 Ca 0.02 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2kw4 s VAL 39 Cb 0.03 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 34.04 2kw4 s VAL 39 CO -0.10 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 2kw4 n GLY 40 N -1.05 4.27 0.93 2.32 0.00 -1.09 -4.99 105.19 105.58 2kw4 n GLY 40 Ca -0.03 -1.97 -0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 0.00 0.03 -3.53 1.61 -0.00 -1.26 -4.90 118.16 110.11 2kw4 n LYS 41 Ca 0.00 -0.07 -0.28 0.00 -0.00 0.00 0.00 58.31 57.96 2kw4 n LYS 41 Cb 0.00 0.32 -0.03 0.00 -0.00 0.00 0.00 35.03 35.32 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 -0.06 6.42 -0.00 -5.58 0.01 -1.26 -5.00 114.94 109.47 2kw4 s ASN 42 Ca 0.00 0.56 -0.24 0.00 -0.71 0.00 0.00 52.86 52.47 2kw4 s ASN 42 Cb 0.01 -2.08 -0.18 0.00 0.41 0.00 0.00 41.25 39.41 2kw4 s ASN 42 CO -0.00 -0.11 1.29 1.55 -1.51 0.00 0.00 177.10 178.32 2kw4 h PRO 43 N 1.90 0.13 0.00 -0.60 0.13 -2.01 0.83 132.00 132.38 2kw4 h PRO 43 Ca -0.48 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2kw4 h PRO 43 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kw4 h PRO 43 CO 0.67 0.58 0.00 0.00 -0.23 0.00 0.00 178.00 179.03 2kw4 h ALA 44 N 0.54 1.00 0.00 -0.56 0.00 -1.99 -1.02 119.26 117.23 2kw4 h ALA 44 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2kw4 h ALA 44 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2kw4 h ALA 44 CO 0.01 0.00 -1.99 0.00 0.00 0.00 0.00 179.25 177.28 2kw4 n ALA 45 N -1.85 2.38 0.02 0.00 0.00 -1.15 -4.15 120.51 115.76 2kw4 n ALA 45 Ca 0.01 -0.72 -0.10 0.00 0.00 0.00 0.00 53.44 52.63 2kw4 n ALA 45 Cb 0.20 -0.64 -0.13 0.00 0.00 0.00 0.00 19.45 18.88 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 1.69 0.51 0.00 0.00 0.00 -0.33 -3.30 119.26 117.84 2kw4 h ALA 46 Ca -0.16 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.55 2kw4 h ALA 46 Cb 1.37 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2kw4 h ALA 46 CO 0.01 1.37 0.00 0.00 0.00 0.00 0.00 179.25 180.63 2kw4 h THR 47 N 0.02 0.00 -0.34 0.00 1.03 -1.40 -2.45 112.91 109.77 2kw4 h THR 47 Ca -0.19 -0.48 0.00 0.00 -0.01 0.00 0.00 66.41 65.73 2kw4 h THR 47 Cb 1.94 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 70.42 2kw4 h THR 47 CO 0.11 0.00 0.00 0.23 -0.01 0.00 0.00 175.52 175.85 2kw4 n MET 48 N -2.80 1.80 0.00 0.00 2.81 -1.24 -4.95 117.12 112.74 2kw4 n MET 48 Ca 0.02 -1.25 0.00 0.00 -1.81 0.00 0.00 57.70 54.66 2kw4 n MET 48 Cb 0.32 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 0.51 0.00 -0.53 0.03 1.74 -0.92 -1.79 116.66 115.70 2kw4 n ARG 49 Ca 0.12 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.19 2kw4 n ARG 49 Cb 0.30 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.73 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 2.30 -0.13 -0.01 0.55 6.94 -1.26 -4.29 115.26 119.36 2kw4 n ASN 50 Ca 0.00 -1.06 -0.17 0.00 -0.02 0.00 0.00 54.58 53.33 2kw4 n ASN 50 Cb 0.00 0.04 -0.09 0.00 -2.36 0.00 0.00 39.78 37.36 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 4.67 1.36 0.00 3.53 2.07 -1.65 -2.70 116.25 123.54 2kw4 h VAL 51 Ca -0.07 -1.98 -0.11 0.00 0.82 0.00 0.00 66.70 65.36 2kw4 h VAL 51 Cb 0.99 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 2kw4 h VAL 51 CO -0.04 0.59 -0.54 0.00 0.02 0.00 0.00 177.57 177.61 2kw4 h ALA 52 N 0.42 0.80 0.08 1.67 0.00 -1.82 -3.21 119.26 117.21 2kw4 h ALA 52 Ca -0.06 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kw4 h ALA 52 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kw4 h ALA 52 CO 0.13 0.67 -0.04 0.78 0.00 0.00 0.00 179.25 180.79 2kw4 h GLY 53 N 2.59 -0.11 0.32 0.00 0.00 -1.82 -0.44 103.07 103.60 2kw4 h GLY 53 Ca -0.01 0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.45 2kw4 h GLY 53 CO 0.07 -0.04 0.06 1.05 0.00 0.00 0.00 176.54 177.67 2kw4 h GLU 54 N -0.66 0.17 -0.04 4.80 4.11 -1.57 -0.91 114.58 120.49 2kw4 h GLU 54 Ca -0.01 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.29 2kw4 h GLU 54 Cb 0.54 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2kw4 h GLU 54 CO 0.02 0.11 -0.51 0.82 0.07 0.00 0.00 179.01 179.52 2kw4 h ILE 55 N 0.18 1.36 -0.84 -1.06 2.04 -1.62 -3.16 117.51 114.42 2kw4 h ILE 55 Ca 0.24 -1.77 0.21 0.00 1.00 0.00 0.00 64.86 64.54 2kw4 h ILE 55 Cb 0.33 1.91 -0.13 0.00 -0.74 0.00 0.00 36.82 38.19 2kw4 h ILE 55 CO -0.34 0.51 0.23 0.00 0.00 0.00 0.00 178.15 178.55 2kw4 h ALA 56 N 1.39 1.18 -0.21 1.87 0.00 0.39 -0.18 119.26 123.71 2kw4 h ALA 56 Ca 0.00 0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2kw4 h ALA 56 Cb 0.94 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2kw4 h ALA 56 CO 0.07 -0.40 -0.13 0.00 0.00 0.00 0.00 179.25 178.79 2kw4 h ALA 57 N 1.72 0.04 -0.71 0.00 0.00 -1.50 -0.14 119.26 118.66 2kw4 h ALA 57 Ca 0.51 0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.70 2kw4 h ALA 57 Cb 0.96 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2kw4 h ALA 57 CO -0.59 -0.55 0.54 0.00 0.00 0.00 0.00 179.25 178.65 2kw4 h ALA 58 N 1.04 2.63 0.13 0.00 0.00 -1.19 0.31 119.26 122.18 2kw4 h ALA 58 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2kw4 h ALA 58 Cb 0.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2kw4 h ALA 58 CO -0.28 -0.91 -0.06 -0.07 0.00 0.00 0.00 179.25 177.93 2kw4 h LEU 59 N 0.00 -0.15 -2.70 0.00 3.38 -0.78 -2.87 115.31 112.20 2kw4 h LEU 59 Ca 0.34 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2kw4 h LEU 59 Cb 1.42 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 2kw4 h LEU 59 CO -0.00 -0.04 0.04 1.88 0.09 0.00 0.00 178.44 180.41 2kw4 h TYR 60 N -0.31 0.00 -0.46 1.13 0.05 -1.16 -1.40 116.97 114.82 2kw4 h TYR 60 Ca -0.02 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 2kw4 h TYR 60 Cb 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 2kw4 h TYR 60 CO 0.08 0.00 -0.11 0.00 -1.05 0.00 0.00 178.16 177.08 2kw4 h ALA 61 N 1.94 0.64 0.01 3.88 0.00 -0.42 -2.66 119.26 122.64 2kw4 h ALA 61 Ca 0.01 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 2kw4 h ALA 61 Cb 0.08 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kw4 h ALA 61 CO -0.00 0.54 -0.71 0.28 0.00 0.00 0.00 179.25 179.35 2kw4 h VAL 62 N 0.73 1.40 -0.44 0.00 2.07 -1.04 -1.22 116.25 117.75 2kw4 h VAL 62 Ca 0.12 -2.14 0.09 0.00 0.82 0.00 0.00 66.70 65.59 2kw4 h VAL 62 Cb 0.66 2.57 -0.08 0.00 -1.52 0.00 0.00 31.29 32.93 2kw4 h VAL 62 CO 0.05 0.63 -0.08 0.11 0.02 0.00 0.00 177.57 178.29 2kw4 h LYS 63 N -0.00 0.02 0.01 1.57 1.57 -1.43 -1.36 116.57 116.94 2kw4 h LYS 63 Ca -0.09 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.50 2kw4 h LYS 63 Cb 1.42 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 2kw4 h LYS 63 CO 0.14 0.02 -0.88 0.87 -0.57 0.00 0.00 179.45 179.03 2kw4 h LYS 64 N 0.02 0.08 -0.85 3.15 1.57 -1.56 -3.22 116.57 115.76 2kw4 h LYS 64 Ca 0.21 -0.09 0.20 0.00 -1.87 0.00 0.00 60.65 59.11 2kw4 h LYS 64 Cb 0.32 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 2kw4 h LYS 64 CO -0.43 0.90 0.58 0.00 -0.57 0.00 0.00 179.45 179.93 2kw4 h ALA 65 N 1.06 2.36 0.00 3.86 0.00 -0.10 0.33 119.26 126.78 2kw4 h ALA 65 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2kw4 h ALA 65 Cb 1.53 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2kw4 h ALA 65 CO 0.12 -0.62 -0.67 1.03 0.00 0.00 0.00 179.25 179.12 2kw4 h SER 66 N 0.28 0.00 -0.24 0.00 0.87 -1.45 -2.20 113.55 110.82 2kw4 h SER 66 Ca 0.43 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.84 2kw4 h SER 66 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2kw4 h SER 66 CO -0.12 0.67 -0.44 1.56 -0.53 0.00 0.00 176.83 177.97 2kw4 h GLN 67 N 0.00 0.72 0.00 2.24 4.20 -0.47 -2.87 115.11 118.93 2kw4 h GLN 67 Ca -0.01 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2kw4 h GLN 67 Cb 1.29 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2kw4 h GLN 67 CO 0.09 1.08 0.00 1.28 -0.67 0.00 0.00 178.83 180.61 2kw4 n LEU 68 N -4.16 0.00 -0.20 1.46 4.32 -0.72 -4.87 117.00 112.83 2kw4 n LEU 68 Ca -0.05 0.11 -0.03 0.00 -0.02 0.00 0.00 56.01 56.03 2kw4 n LEU 68 Cb 0.56 -0.11 -0.01 0.00 -1.62 0.00 0.00 43.42 42.24 2kw4 n LEU 68 CO 0.47 -0.01 -0.03 0.61 -1.22 0.00 0.00 177.39 177.22 2kw4 n GLY 69 N 0.94 0.42 4.01 -0.72 0.00 -1.08 -4.75 105.19 104.01 2kw4 n GLY 69 Ca 0.19 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.58 2.46 0.03 1.61 -7.23 -0.84 -4.64 120.40 110.21 2kw4 s VAL 70 Ca 0.00 -1.04 0.01 0.00 -1.81 0.00 0.00 61.98 59.14 2kw4 s VAL 70 Cb 0.00 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 2kw4 s VAL 70 CO 0.00 0.00 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.21 2kw4 s LYS 71 N -4.51 0.37 -0.19 4.82 3.01 -1.26 -4.37 119.74 117.62 2kw4 s LYS 71 Ca 0.57 -0.62 -0.10 0.00 -1.01 0.00 0.00 55.97 54.82 2kw4 s LYS 71 Cb -0.07 -0.04 -0.05 0.00 -1.01 0.00 0.00 37.83 36.66 2kw4 s LYS 71 CO 0.35 -0.01 0.13 0.96 0.51 0.00 0.00 175.35 177.29 2kw4 s ILE 72 N -1.33 5.41 0.43 2.17 -4.36 -1.26 -4.96 121.20 117.30 2kw4 s ILE 72 Ca -0.13 0.19 -0.09 0.00 -0.26 0.00 0.00 60.65 60.36 2kw4 s ILE 72 Cb -0.09 -3.45 -0.06 0.00 1.25 0.00 0.00 42.46 40.11 2kw4 s ILE 72 CO -0.00 0.47 0.78 -0.60 0.24 0.00 0.00 174.94 175.82 2kw4 s ARG 73 N 0.15 3.72 0.00 0.37 3.00 -1.08 -4.33 118.95 120.78 2kw4 s ARG 73 Ca 0.09 0.41 0.00 0.00 -1.00 0.00 0.00 55.73 55.23 2kw4 s ARG 73 Cb -0.11 -2.38 0.00 0.00 0.00 0.00 0.00 34.95 32.46 2kw4 s ARG 73 CO -0.01 -0.09 0.00 1.51 0.00 0.00 0.00 175.30 176.71 2kw4 n ILE 74 N -1.55 0.00 0.00 4.11 3.06 -1.25 -3.81 119.36 119.91 2kw4 n ILE 74 Ca 0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.27 2kw4 n ILE 74 Cb 0.54 -0.34 0.00 0.00 0.54 0.00 0.00 39.64 40.38 2kw4 n ILE 74 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2kw4 n LEU 75 N -2.27 0.00 -0.05 9.51 4.77 -1.26 -2.19 117.00 125.52 2kw4 n LEU 75 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 2kw4 n LEU 75 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2kw4 n LEU 75 CO 0.00 0.00 -0.39 1.57 -1.33 0.00 0.00 177.39 177.24 2kw4 n HIS 76 N 0.00 0.00 -1.36 -1.77 -0.00 -1.26 -5.11 115.22 105.72 2kw4 n HIS 76 Ca 0.00 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.35 2kw4 n HIS 76 Cb 0.00 -0.29 -0.06 0.00 -0.12 0.00 0.00 29.99 29.52 2kw4 n HIS 76 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2kw4 n ASP 77 N -3.72 -7.91 -0.39 0.26 2.03 -0.93 -4.88 116.55 101.02 2kw4 n ASP 77 Ca -0.08 0.84 0.00 0.00 0.52 0.00 0.00 54.79 56.07 2kw4 n ASP 77 Cb 0.30 -4.33 0.00 0.00 -0.72 0.00 0.00 41.12 36.37 2kw4 n ASP 77 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kw4 n TYR 78 N -4.05 0.00 -0.63 -0.67 4.01 -1.26 -5.01 117.16 109.54 2kw4 n TYR 78 Ca -0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.42 2kw4 n TYR 78 Cb 0.67 0.09 0.21 0.00 -0.31 0.00 0.00 39.34 39.99 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kw4 s ALA 79 N 0.00 0.55 0.54 -0.72 0.00 -1.18 -4.18 121.76 116.77 2kw4 s ALA 79 Ca 0.00 0.25 0.37 0.00 0.00 0.00 0.00 51.96 52.58 2kw4 s ALA 79 Cb 0.00 -3.35 2.00 0.00 0.00 0.00 0.00 23.12 21.76 2kw4 s ALA 79 CO 0.00 -3.27 2.12 0.78 0.00 0.00 0.00 175.76 175.39 2kw4 h GLY 80 N -2.23 0.00 0.77 0.00 0.00 -1.85 -1.82 103.07 97.94 2kw4 h GLY 80 Ca -0.52 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 2kw4 h GLY 80 CO 0.46 0.00 -0.11 -2.22 0.00 0.00 0.00 176.54 174.67 2kw4 h ILE 81 N 0.00 1.32 0.00 2.60 5.03 -1.94 -2.76 117.51 121.77 2kw4 h ILE 81 Ca 0.00 -1.20 0.00 0.00 -0.12 0.00 0.00 64.86 63.54 2kw4 h ILE 81 Cb 0.21 1.75 0.00 0.00 -3.03 0.00 0.00 36.82 35.75 2kw4 h ILE 81 CO 0.00 0.36 0.00 0.00 -0.68 0.00 0.00 178.15 177.83 2kw4 n ALA 82 N -2.40 2.04 -0.05 1.87 0.00 -0.69 -1.09 120.51 120.17 2kw4 n ALA 82 Ca -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 2kw4 n ALA 82 Cb 0.33 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 0.00 0.00 0.00 3.57 -1.39 -3.37 116.94 115.75 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 0.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2kw4 h PHE 83 CO 0.00 0.08 -0.27 -2.67 -2.23 0.00 0.00 178.31 173.22 2kw4 n TRP 84 N -4.74 0.12 -0.25 0.41 2.14 -1.16 -3.91 117.44 110.05 2kw4 n TRP 84 Ca -0.02 0.03 0.32 0.00 2.07 0.00 0.00 57.50 59.91 2kw4 n TRP 84 Cb 0.08 -0.44 0.73 0.00 -0.81 0.00 0.00 31.31 30.86 2kw4 n TRP 84 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2kw4 h ALA 85 N 2.92 2.96 -0.63 -1.67 0.00 -1.27 0.31 119.26 121.88 2kw4 h ALA 85 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2kw4 h ALA 85 Cb 0.54 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2kw4 h ALA 85 CO 0.00 -1.34 0.15 1.79 0.00 0.00 0.00 179.25 179.85 2kw4 h THR 86 N 0.00 1.25 -0.95 0.00 1.35 -1.77 -3.31 112.91 109.49 2kw4 h THR 86 Ca 0.50 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2kw4 h THR 86 Cb 2.10 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 2kw4 h THR 86 CO -0.01 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 2kw4 n GLY 87 N -0.65 0.80 0.14 5.82 0.00 0.11 -4.92 105.19 106.49 2kw4 n GLY 87 Ca 0.04 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.43 0.58 -1.99 1.61 0.00 -1.26 -5.00 120.64 114.15 2kw4 n GLU 88 Ca 0.00 0.25 -0.31 0.00 0.00 0.00 0.00 57.16 57.10 2kw4 n GLU 88 Cb 0.16 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.12 2kw4 n GLU 88 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2kw4 s TRP 89 N -2.56 3.58 -0.09 4.31 0.52 -1.26 -4.95 118.94 118.49 2kw4 s TRP 89 Ca -0.37 1.33 -0.37 0.00 0.02 0.00 0.00 56.10 56.71 2kw4 s TRP 89 Cb 0.13 -2.74 -0.15 0.00 -1.15 0.00 0.00 33.47 29.57 2kw4 s TRP 89 CO 0.48 -0.63 1.65 1.63 0.02 0.00 0.00 176.95 180.10 2kw4 n LYS 90 N -2.49 1.50 0.00 4.98 5.02 -1.26 -4.66 118.16 121.25 2kw4 n LYS 90 Ca 0.06 0.55 0.13 0.00 -2.02 0.00 0.00 58.31 57.03 2kw4 n LYS 90 Cb 0.54 -2.26 0.72 0.00 -0.02 0.00 0.00 35.03 34.01 2kw4 n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kw4 n ALA 91 N 4.66 2.40 1.30 7.82 0.00 -1.26 -2.71 120.51 132.71 2kw4 n ALA 91 Ca 0.22 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2kw4 n ALA 91 Cb 0.20 -1.44 0.42 0.00 0.00 0.00 0.00 19.45 18.64 2kw4 n ALA 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kw4 n LYS 92 N -1.18 1.78 -3.80 0.00 4.81 -1.26 -4.45 118.16 114.06 2kw4 n LYS 92 Ca 0.15 -1.15 -0.35 0.00 -0.87 0.00 0.00 58.31 56.09 2kw4 n LYS 92 Cb 0.17 -1.45 -0.05 0.00 0.02 0.00 0.00 35.03 33.72 2kw4 n LYS 92 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2kw4 s ASN 93 N -1.81 6.46 0.51 3.14 0.01 -1.10 -4.97 114.94 117.18 2kw4 s ASN 93 Ca 0.35 0.52 0.00 0.00 -0.71 0.00 0.00 52.86 53.02 2kw4 s ASN 93 Cb 0.20 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.78 2kw4 s ASN 93 CO 0.30 0.30 0.00 -0.62 -1.51 0.00 0.00 177.10 175.57 2kw4 n GLU 94 N 1.34 -3.03 -0.24 -0.60 1.02 -1.26 -2.78 120.64 115.08 2kw4 n GLU 94 Ca -0.13 2.35 0.06 0.00 -0.02 0.00 0.00 57.16 59.42 2kw4 n GLU 94 Cb 0.53 -3.59 0.17 0.00 -0.02 0.00 0.00 31.44 28.54 2kw4 n GLU 94 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kw4 n PHE 95 N -4.21 0.60 0.05 -0.32 7.35 -1.26 -4.26 117.46 115.40 2kw4 n PHE 95 Ca -0.06 -0.27 0.21 0.00 -0.76 0.00 0.00 57.45 56.57 2kw4 n PHE 95 Cb 0.64 -0.05 0.74 0.00 0.35 0.00 0.00 39.48 41.16 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 2.21 0.47 -0.92 -2.13 2.02 -1.92 -1.06 112.91 111.57 2kw4 h THR 96 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 2kw4 h THR 96 Cb 0.63 0.66 -0.11 0.00 -1.74 0.00 0.00 68.15 67.59 2kw4 h THR 96 CO 0.04 0.00 0.48 1.56 0.37 0.00 0.00 175.52 177.97 2kw4 h GLN 97 N 0.00 0.55 -1.05 6.66 4.20 -1.74 0.19 115.11 123.92 2kw4 h GLN 97 Ca 0.23 -0.03 0.27 0.00 0.06 0.00 0.00 58.65 59.18 2kw4 h GLN 97 Cb 1.11 -0.12 -0.08 0.00 0.30 0.00 0.00 27.48 28.68 2kw4 h GLN 97 CO -0.00 0.36 0.69 0.00 -0.67 0.00 0.00 178.83 179.21 2kw4 h ALA 98 N 1.66 2.38 -0.21 3.87 0.00 -1.53 -0.41 119.26 125.01 2kw4 h ALA 98 Ca 0.55 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.56 2kw4 h ALA 98 Cb 0.95 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2kw4 h ALA 98 CO -0.45 -0.76 -0.14 -0.92 0.00 0.00 0.00 179.25 176.98 2kw4 h TYR 99 N 0.32 -0.34 -0.12 0.00 3.20 -0.80 0.24 116.97 119.48 2kw4 h TYR 99 Ca 0.58 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.49 2kw4 h TYR 99 Cb 1.61 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 40.05 2kw4 h TYR 99 CO -0.00 -0.20 0.08 0.00 -1.64 0.00 0.00 178.16 176.40 2kw4 h ALA 100 N 1.02 1.97 0.08 1.82 0.00 -1.18 -0.88 119.26 122.10 2kw4 h ALA 100 Ca 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kw4 h ALA 100 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kw4 h ALA 100 CO -0.29 0.02 -0.04 0.87 0.00 0.00 0.00 179.25 179.81 2kw4 h LYS 101 N 0.12 -0.11 -0.08 0.00 1.79 -0.94 -3.24 116.57 114.11 2kw4 h LYS 101 Ca 0.05 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.55 2kw4 h LYS 101 Cb 0.05 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2kw4 h LYS 101 CO -0.01 0.44 0.07 -0.07 -1.08 0.00 0.00 179.45 178.80 2kw4 h LEU 102 N -0.84 0.00 0.06 2.94 3.38 -0.35 -3.00 115.31 117.51 2kw4 h LEU 102 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kw4 h LEU 102 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2kw4 h LEU 102 CO 0.02 0.00 -0.15 -0.03 0.09 0.00 0.00 178.44 178.36 2kw4 h MET 103 N 0.00 -0.23 -0.42 1.13 4.05 -1.19 -1.72 114.93 116.56 2kw4 h MET 103 Ca 0.04 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.59 2kw4 h MET 103 Cb 0.18 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 2kw4 h MET 103 CO -0.00 -0.15 0.30 -0.97 0.23 0.00 0.00 176.91 176.32 2kw4 h ASN 104 N -0.24 0.00 -0.68 1.39 -1.24 -1.64 0.28 115.58 113.45 2kw4 h ASN 104 Ca -0.01 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.15 2kw4 h ASN 104 Cb 0.23 -0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.18 2kw4 h ASN 104 CO -0.07 0.00 0.14 -0.61 -1.29 0.00 0.00 177.43 175.61 2kw4 h GLN 105 N 0.00 0.25 -0.33 6.67 -0.00 -1.18 -2.95 115.11 117.57 2kw4 h GLN 105 Ca 0.20 -0.01 -0.26 0.00 -0.00 0.00 0.00 58.65 58.57 2kw4 h GLN 105 Cb 0.79 -0.06 -0.33 0.00 0.00 0.00 0.00 27.48 27.89 2kw4 h GLN 105 CO -0.00 0.16 -0.90 2.48 0.00 0.00 0.00 178.83 180.57 2kw4 n TYR 106 N -5.16 1.11 -2.87 3.99 0.18 -0.68 -5.07 117.16 108.66 2kw4 n TYR 106 Ca 0.12 -1.66 -0.41 0.00 1.88 0.00 0.00 57.90 57.83 2kw4 n TYR 106 Cb 0.40 -0.24 -0.04 0.00 -0.38 0.00 0.00 39.34 39.08 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 -2.76 4.45 0.00 -3.48 3.00 0.91 -4.41 118.95 116.65 2kw4 s ARG 107 Ca 0.37 1.13 0.00 0.00 -1.00 0.00 0.00 55.73 56.23 2kw4 s ARG 107 Cb 0.37 -3.48 0.00 0.00 0.00 0.00 0.00 34.95 31.84 2kw4 s ARG 107 CO -0.06 -0.08 0.00 0.41 0.00 0.00 0.00 175.30 175.57 2kw4 n GLY 108 N 3.10 0.16 0.08 8.12 0.00 -1.26 -4.97 105.19 110.43 2kw4 n GLY 108 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 1.10 -4.02 -0.61 -0.00 -1.26 -5.03 119.36 109.54 2kw4 n ILE 109 Ca 0.00 -0.59 -0.27 0.00 -0.00 0.00 0.00 62.75 61.89 2kw4 n ILE 109 Cb 0.00 -0.79 -0.02 0.00 -0.00 0.00 0.00 39.64 38.83 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 -2.39 1.82 0.05 4.28 1.13 -1.26 -4.12 117.35 116.87 2kw4 s TYR 110 Ca -0.14 -0.81 0.05 0.00 -1.41 0.00 0.00 57.07 54.76 2kw4 s TYR 110 Cb 0.05 -1.89 -0.03 0.00 -1.10 0.00 0.00 41.96 39.00 2kw4 s TYR 110 CO 0.58 -0.29 -0.14 -1.54 -2.51 0.00 0.00 175.55 171.66 2kw4 s SER 111 N -4.18 1.61 -0.29 -0.18 1.04 -1.26 -5.02 113.70 105.42 2kw4 s SER 111 Ca 0.31 -0.53 -0.25 0.00 0.48 0.00 0.00 55.95 55.96 2kw4 s SER 111 Cb -0.01 -0.07 0.17 0.00 0.10 0.00 0.00 66.02 66.21 2kw4 s SER 111 CO 0.19 -0.03 1.33 -0.36 0.98 0.00 0.00 173.24 175.35 2kw4 s PHE 112 N -1.07 -0.17 0.89 5.02 0.08 -1.26 -4.83 117.98 116.64 2kw4 s PHE 112 Ca -0.01 0.41 -0.12 0.00 0.12 0.00 0.00 56.93 57.33 2kw4 s PHE 112 Cb -0.09 0.45 0.12 0.00 -0.57 0.00 0.00 43.02 42.94 2kw4 s PHE 112 CO 0.02 -0.08 1.13 -1.21 -0.10 0.00 0.00 175.22 174.98 2kw4 s GLU 113 N 0.06 1.33 1.04 0.44 2.02 -1.26 -5.01 118.70 117.32 2kw4 s GLU 113 Ca 0.06 0.34 -0.16 0.00 0.02 0.00 0.00 54.97 55.23 2kw4 s GLU 113 Cb -0.05 -1.86 0.06 0.00 0.10 0.00 0.00 34.13 32.38 2kw4 s GLU 113 CO -0.13 -2.08 0.11 1.17 0.02 0.00 0.00 175.26 174.36 2kw4 n LYS 114 N -3.69 -0.94 -3.68 1.61 4.81 -1.26 -4.96 118.16 110.05 2kw4 n LYS 114 Ca 0.07 -0.25 -0.10 0.00 -0.87 0.00 0.00 58.31 57.16 2kw4 n LYS 114 Cb 0.59 -1.73 -0.10 0.00 0.02 0.00 0.00 35.03 33.81 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 -2.29 -0.09 0.00 3.15 -7.23 -1.25 -4.28 120.40 108.41 2kw4 s VAL 115 Ca 0.55 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 2kw4 s VAL 115 Cb -0.15 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.10 2kw4 s VAL 115 CO 0.67 0.03 0.00 0.29 -0.31 0.00 0.00 175.10 175.79 2kw4 n LYS 116 N 4.38 0.00 0.00 4.82 5.02 -1.26 -4.68 118.16 126.44 2kw4 n LYS 116 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 2kw4 n LYS 116 Cb 0.55 -0.20 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 2kw4 n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kw4 n ALA 117 N -1.34 0.00 -0.78 7.82 0.00 -1.26 -4.05 120.51 120.90 2kw4 n ALA 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kw4 n ALA 117 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kw4 n ALA 117 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2kw4 n HIS 118 N -0.38 -1.78 -2.79 0.00 -0.00 -1.12 -4.52 115.22 104.63 2kw4 n HIS 118 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 2kw4 n HIS 118 Cb 0.00 0.23 -0.01 0.00 -0.00 0.00 0.00 29.99 30.21 2kw4 n HIS 118 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kw4 n SER 119 N -2.13 -4.31 0.00 0.26 7.64 -1.26 -4.84 113.62 108.98 2kw4 n SER 119 Ca 0.00 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2kw4 n SER 119 Cb 0.00 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 2kw4 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kw4 n GLY 120 N -1.42 3.28 0.00 0.23 0.00 -1.26 -5.04 105.19 100.98 2kw4 n GLY 120 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2kw4 n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kw4 n ASN 121 N 0.00 0.14 0.00 1.61 0.23 -1.26 -5.00 115.26 110.98 2kw4 n ASN 121 Ca 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.14 2kw4 n ASN 121 Cb 0.00 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.20 2kw4 n ASN 121 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2kw4 n GLU 122 N 0.00 0.48 -0.23 -3.83 2.13 -1.26 -3.43 120.64 114.50 2kw4 n GLU 122 Ca 0.00 0.03 0.31 0.00 0.66 0.00 0.00 57.16 58.15 2kw4 n GLU 122 Cb 0.00 -1.50 0.73 0.00 0.27 0.00 0.00 31.44 30.94 2kw4 n GLU 122 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 2kw4 h PHE 123 N 0.00 0.02 -0.52 4.31 -1.00 -1.90 0.32 116.94 118.17 2kw4 h PHE 123 Ca 0.00 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.67 2kw4 h PHE 123 Cb 0.04 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 2kw4 h PHE 123 CO 0.00 0.00 -0.10 -2.95 -1.61 0.00 0.00 178.31 173.65 2kw4 h ASN 124 N 0.01 0.96 -0.27 2.17 7.08 -1.72 -2.55 115.58 121.26 2kw4 h ASN 124 Ca 0.47 -0.31 0.08 0.00 -3.08 0.00 0.00 56.30 53.47 2kw4 h ASN 124 Cb 1.88 -0.26 -0.01 0.00 -2.08 0.00 0.00 38.32 37.85 2kw4 h ASN 124 CO -0.01 1.07 0.37 0.44 -2.08 0.00 0.00 177.43 177.22 2kw4 h ASP 125 N 0.86 0.00 -0.99 6.14 5.19 -0.62 -0.93 116.42 126.07 2kw4 h ASP 125 Ca 0.14 0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.74 2kw4 h ASP 125 Cb 0.64 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.06 2kw4 h ASP 125 CO 0.04 0.00 0.61 0.22 -3.12 0.00 0.00 179.24 177.00 2kw4 h TYR 126 N 0.00 0.98 -0.22 4.55 5.03 -1.50 0.35 116.97 126.17 2kw4 h TYR 126 Ca 0.13 0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.53 2kw4 h TYR 126 Cb 0.87 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 2kw4 h TYR 126 CO 0.00 0.24 0.28 -0.39 -1.32 0.00 0.00 178.16 176.97 2kw4 h VAL 127 N 0.72 0.36 0.23 1.81 -1.51 -1.37 -1.77 116.25 114.73 2kw4 h VAL 127 Ca 0.56 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 66.02 2kw4 h VAL 127 Cb 0.92 0.77 -0.00 0.00 -2.13 0.00 0.00 31.29 30.85 2kw4 h VAL 127 CO -0.34 0.00 -0.15 0.44 -1.23 0.00 0.00 177.57 176.30 2kw4 h ASP 128 N 0.00 -0.36 -0.23 4.19 3.32 -0.48 0.28 116.42 123.13 2kw4 h ASP 128 Ca 0.10 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.98 2kw4 h ASP 128 Cb 0.66 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2kw4 h ASP 128 CO -0.00 -0.24 -0.64 -0.03 -1.72 0.00 0.00 179.24 176.61 2kw4 h MET 129 N -0.37 0.84 -0.83 3.56 4.05 -1.47 -2.28 114.93 118.44 2kw4 h MET 129 Ca -0.02 -0.60 -0.01 0.00 -0.28 0.00 0.00 59.70 58.79 2kw4 h MET 129 Cb 0.31 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.16 2kw4 h MET 129 CO 0.02 1.22 0.49 -0.22 0.23 0.00 0.00 176.91 178.65 2kw4 h LYS 130 N 0.61 1.13 -0.07 0.39 3.11 -1.27 -2.36 116.57 118.12 2kw4 h LYS 130 Ca -0.01 -0.11 -0.17 0.00 -2.81 0.00 0.00 60.65 57.55 2kw4 h LYS 130 Cb 1.26 -0.24 -0.01 0.00 -1.00 0.00 0.00 32.23 32.25 2kw4 h LYS 130 CO 0.14 0.80 -0.70 0.00 -2.81 0.00 0.00 179.45 176.88 2kw4 h ALA 131 N 1.39 0.66 -0.98 5.00 0.00 -0.42 -3.18 119.26 121.73 2kw4 h ALA 131 Ca 0.30 -0.60 0.16 0.00 0.00 0.00 0.00 54.91 54.77 2kw4 h ALA 131 Cb -0.03 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.59 2kw4 h ALA 131 CO -0.05 0.77 0.59 0.87 0.00 0.00 0.00 179.25 181.42 2kw4 h LYS 132 N 0.23 0.78 -0.70 0.00 1.57 -0.85 0.13 116.57 117.73 2kw4 h LYS 132 Ca -0.02 -0.05 0.17 0.00 -1.87 0.00 0.00 60.65 58.87 2kw4 h LYS 132 Cb 1.26 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 2kw4 h LYS 132 CO 0.12 0.52 0.48 0.77 -0.57 0.00 0.00 179.45 180.77 2kw4 h SER 133 N 0.81 0.22 -0.35 0.86 0.02 -1.52 0.14 113.55 113.73 2kw4 h SER 133 Ca 0.54 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.60 2kw4 h SER 133 Cb 0.74 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2kw4 h SER 133 CO -0.35 0.11 0.30 0.00 -1.14 0.00 0.00 176.83 175.76 2kw4 h ALA 134 N 1.66 2.17 0.08 3.77 0.00 -0.89 -1.93 119.26 124.11 2kw4 h ALA 134 Ca 0.34 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.88 2kw4 h ALA 134 Cb 1.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2kw4 h ALA 134 CO -0.07 -0.48 -2.10 1.28 0.00 0.00 0.00 179.25 177.88 2kw4 n LEU 135 N -4.09 2.38 0.00 0.00 4.77 0.46 -4.82 117.00 115.71 2kw4 n LEU 135 Ca 0.06 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2kw4 n LEU 135 Cb 0.48 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2kw4 n LEU 135 CO 0.32 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 2kw4 n GLY 136 N 1.99 1.34 3.72 -0.72 0.00 -0.73 -5.10 105.19 105.70 2kw4 n GLY 136 Ca -0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 3.12 0.82 -0.61 -1.09 -1.22 -5.00 121.20 115.22 2kw4 s ILE 137 Ca 0.00 0.83 -0.13 0.00 -2.23 0.00 0.00 60.65 59.11 2kw4 s ILE 137 Cb 0.00 -3.53 0.21 0.00 -1.58 0.00 0.00 42.46 37.56 2kw4 s ILE 137 CO 0.00 0.08 0.47 -2.11 -1.23 0.00 0.00 174.94 172.15 2kw4 n ARG 138 N 3.69 -3.28 -1.22 2.79 0.00 -1.26 -4.85 116.66 112.54 2kw4 n ARG 138 Ca 0.11 -0.79 0.13 0.00 -0.00 0.00 0.00 57.85 57.30 2kw4 n ARG 138 Cb 0.41 -1.08 -0.07 0.00 -0.00 0.00 0.00 32.46 31.73 2kw4 n ARG 138 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2kw4 n ASP 139 N -4.18 -6.60 -3.80 2.89 8.00 -1.26 -5.04 116.55 106.57 2kw4 n ASP 139 Ca 0.07 1.27 -0.12 0.00 0.71 0.00 0.00 54.79 56.73 2kw4 n ASP 139 Cb 0.33 -4.15 -0.08 0.00 -0.02 0.00 0.00 41.12 37.19 2kw4 n ASP 139 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2kw4 s LEU 140 N -6.54 1.10 0.30 0.64 2.34 -1.26 -5.11 118.68 110.15 2kw4 s LEU 140 Ca 0.00 -0.15 0.02 0.00 0.06 0.00 0.00 54.13 54.06 2kw4 s LEU 140 Cb 0.00 1.12 -0.05 0.00 -0.56 0.00 0.00 46.19 46.70 2kw4 s LEU 140 CO 0.00 -0.51 0.11 -1.61 -1.06 0.00 0.00 176.35 173.28 2kw4 s GLU 141 N -1.99 1.55 -0.28 1.48 0.41 -1.26 -5.17 118.70 113.44 2kw4 s GLU 141 Ca -0.09 -1.87 -0.23 0.00 -0.41 0.00 0.00 54.97 52.37 2kw4 s GLU 141 Cb -0.03 -0.37 0.13 0.00 -1.78 0.00 0.00 34.13 32.07 2kw4 s GLU 141 CO -0.00 -0.33 1.03 -1.58 -0.49 0.00 0.00 175.26 173.89 2kw4 s HIS 142 N -3.58 -0.49 0.18 1.61 5.65 -1.26 -5.18 115.29 112.22 2kw4 s HIS 142 Ca 0.36 1.13 0.03 0.00 0.25 0.00 0.00 55.06 56.82 2kw4 s HIS 142 Cb 0.07 0.37 -0.05 0.00 -1.18 0.00 0.00 32.58 31.79 2kw4 s HIS 142 CO 0.15 -0.24 -0.04 -1.01 -0.65 0.00 0.00 174.74 172.96 2kw4 s HIS 143 N 0.48 1.33 -0.02 3.88 3.76 -1.26 -5.17 115.29 118.30 2kw4 s HIS 143 Ca 0.01 -0.90 -0.29 0.00 -0.15 0.00 0.00 55.06 53.73 2kw4 s HIS 143 Cb -0.05 -0.74 0.10 0.00 1.11 0.00 0.00 32.58 33.01 2kw4 s HIS 143 CO -0.09 -0.05 0.89 -3.38 -0.85 0.00 0.00 174.74 171.26 2kw4 s HIS 144 N -3.47 -0.36 -0.29 1.40 -3.43 -1.26 -5.18 115.29 102.71 2kw4 s HIS 144 Ca 0.22 0.27 -0.25 0.00 -0.80 0.00 0.00 55.06 54.50 2kw4 s HIS 144 Cb 0.05 0.53 0.17 0.00 -1.43 0.00 0.00 32.58 31.90 2kw4 s HIS 144 CO 0.04 -0.53 1.34 -1.58 -2.00 0.00 0.00 174.74 172.01 2kw4 s HIS 145 N -2.92 -0.16 0.17 0.38 2.46 -1.26 -5.19 115.29 108.78 2kw4 s HIS 145 Ca 0.04 0.38 -0.21 0.00 0.47 0.00 0.00 55.06 55.74 2kw4 s HIS 145 Cb -0.01 0.46 0.05 0.00 -0.13 0.00 0.00 32.58 32.95 2kw4 s HIS 145 CO -0.08 -0.08 0.57 -1.58 -2.47 0.00 0.00 174.74 171.10 2kw4 s HIS 146 N 0.02 -0.37 -2.54 3.88 2.46 -1.26 -5.37 115.29 112.11 2kw4 s HIS 146 Ca 0.06 0.10 0.28 0.00 0.47 0.00 0.00 55.06 55.97 2kw4 s HIS 146 Cb -0.05 0.50 0.99 0.00 -0.13 0.00 0.00 32.58 33.89 2kw4 s HIS 146 CO -0.13 -0.88 1.71 1.58 -2.47 0.00 0.00 174.74 174.55