#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw4 n ASP 2 N 0.00 -0.33 -3.41 7.83 -0.08 -1.26 -4.43 116.55 114.87 2kw4 n ASP 2 Ca 0.00 -1.16 -0.10 0.00 -1.51 0.00 0.00 54.79 52.02 2kw4 n ASP 2 Cb 0.00 0.54 -0.02 0.00 2.34 0.00 0.00 41.12 43.98 2kw4 n ASP 2 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2kw4 s ASP 3 N -1.52 0.16 -0.28 1.67 1.01 -1.26 -4.72 116.67 111.73 2kw4 s ASP 3 Ca 0.05 -1.08 -0.18 0.00 0.71 0.00 0.00 52.55 52.05 2kw4 s ASP 3 Cb -0.00 0.73 -0.02 0.00 1.01 0.00 0.00 42.92 44.63 2kw4 s ASP 3 CO 0.01 -1.41 0.52 0.00 0.21 0.00 0.00 175.17 174.49 2kw4 s ARG 4 N -3.16 4.00 0.00 8.23 1.70 -1.26 -4.88 118.95 123.58 2kw4 s ARG 4 Ca 0.20 0.25 0.00 0.00 -0.47 0.00 0.00 55.73 55.71 2kw4 s ARG 4 Cb -0.03 -3.68 0.00 0.00 -0.57 0.00 0.00 34.95 30.67 2kw4 s ARG 4 CO 0.12 -0.40 0.00 0.25 -1.08 0.00 0.00 175.30 174.19 2kw4 n THR 5 N 5.21 0.00 -3.07 4.99 -2.24 -1.26 -4.76 114.28 113.15 2kw4 n THR 5 Ca -0.04 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 2kw4 n THR 5 Cb 0.50 -0.04 0.05 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.28 -1.88 -3.65 -0.78 -0.58 -1.26 -4.93 120.64 106.28 2kw4 n GLU 6 Ca 0.00 0.93 -0.03 0.00 -0.42 0.00 0.00 57.16 57.65 2kw4 n GLU 6 Cb 0.00 -5.47 -0.07 0.00 -0.57 0.00 0.00 31.44 25.34 2kw4 n GLU 6 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 2kw4 s TYR 7 N -3.28 -0.25 0.97 -0.32 1.13 -1.26 -4.91 117.35 109.44 2kw4 s TYR 7 Ca 0.33 0.55 -0.14 0.00 -1.41 0.00 0.00 57.07 56.40 2kw4 s TYR 7 Cb -0.04 0.32 -0.00 0.00 -1.10 0.00 0.00 41.96 41.13 2kw4 s TYR 7 CO 0.68 -0.12 0.11 -3.47 -2.51 0.00 0.00 175.55 170.24 2kw4 n ASP 8 N 2.49 -2.99 -4.83 -0.18 -0.08 -1.26 -4.41 116.55 105.29 2kw4 n ASP 8 Ca -0.14 0.28 -0.37 0.00 -1.51 0.00 0.00 54.79 53.05 2kw4 n ASP 8 Cb 0.57 -1.09 -0.06 0.00 2.34 0.00 0.00 41.12 42.87 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 -2.30 4.80 -1.17 5.18 1.01 -1.26 -4.44 120.40 122.23 2kw4 s VAL 9 Ca 0.53 1.00 -0.22 0.00 0.00 0.00 0.00 61.98 63.29 2kw4 s VAL 9 Cb -0.20 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 2kw4 s VAL 9 CO 0.71 0.37 1.91 0.00 0.00 0.00 0.00 175.10 178.09 2kw4 n TYR 10 N 1.17 2.91 -4.22 5.22 9.36 -1.26 -4.88 117.16 125.47 2kw4 n TYR 10 Ca -0.07 -1.69 -0.16 0.00 3.32 0.00 0.00 57.90 59.29 2kw4 n TYR 10 Cb 0.51 -2.54 -0.11 0.00 -0.63 0.00 0.00 39.34 36.57 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 9.52 1.19 -0.83 2.97 -4.23 -1.26 -2.92 115.64 120.08 2kw4 s THR 11 Ca 0.65 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 59.38 2kw4 s THR 11 Cb 0.02 -1.51 -0.05 0.00 1.34 0.00 0.00 72.50 72.29 2kw4 s THR 11 CO 0.13 -0.50 0.72 0.47 -0.54 0.00 0.00 174.62 174.90 2kw4 n ASP 12 N 0.45 -5.41 0.00 3.99 9.92 -0.76 -4.81 116.55 119.92 2kw4 n ASP 12 Ca -0.15 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.56 2kw4 n ASP 12 Cb 0.58 -4.19 0.00 0.00 -0.64 0.00 0.00 41.12 36.87 2kw4 n ASP 12 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kw4 n GLY 13 N -1.28 -1.88 3.47 0.44 0.00 -1.26 -4.19 105.19 100.49 2kw4 n GLY 13 Ca -0.07 0.88 0.03 0.00 0.00 0.00 0.00 46.02 46.87 2kw4 n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kw4 s SER 14 N 0.00 -0.02 0.17 1.61 1.04 -1.26 -5.01 113.70 110.22 2kw4 s SER 14 Ca 0.00 0.04 -0.21 0.00 0.48 0.00 0.00 55.95 56.26 2kw4 s SER 14 Cb 0.00 1.02 0.05 0.00 0.10 0.00 0.00 66.02 67.19 2kw4 s SER 14 CO 0.00 -0.01 0.56 -0.72 0.98 0.00 0.00 173.24 174.05 2kw4 s TYR 15 N 1.38 -0.39 -0.06 5.02 -0.85 -1.26 -4.07 117.35 117.12 2kw4 s TYR 15 Ca -0.05 0.12 -0.02 0.00 -0.52 0.00 0.00 57.07 56.60 2kw4 s TYR 15 Cb -0.01 0.49 0.04 0.00 0.38 0.00 0.00 41.96 42.85 2kw4 s TYR 15 CO -0.12 -0.86 0.11 0.54 -1.52 0.00 0.00 175.55 173.71 2kw4 s VAL 16 N -3.79 -0.13 0.00 -3.49 0.11 -1.26 -5.00 120.40 106.84 2kw4 s VAL 16 Ca 0.03 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 2kw4 s VAL 16 Cb -0.01 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 2kw4 s VAL 16 CO -0.10 0.12 0.00 -3.20 -3.33 0.00 0.00 175.10 168.59 2kw4 n ASN 17 N 4.72 -0.62 -2.66 3.54 2.85 -1.26 -2.30 115.26 119.52 2kw4 n ASN 17 Ca -0.16 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.09 2kw4 n ASN 17 Cb 0.50 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.44 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 3.12 8.20 0.00 -1.26 -4.79 105.19 113.73 2kw4 n GLY 18 Ca 0.00 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.71 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 3.18 0.52 -4.56 1.61 6.02 -0.97 -5.12 117.38 118.06 2kw4 n GLN 19 Ca 0.52 -2.94 -0.23 0.00 -0.01 0.00 0.00 57.00 54.34 2kw4 n GLN 19 Cb 0.49 2.59 -0.16 0.00 1.02 0.00 0.00 30.24 34.18 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 -3.15 1.26 0.12 1.08 1.13 -1.26 -4.27 117.35 112.26 2kw4 s TYR 20 Ca 0.33 -0.36 0.03 0.00 -1.41 0.00 0.00 57.07 55.66 2kw4 s TYR 20 Cb 0.01 -0.89 -0.04 0.00 -1.10 0.00 0.00 41.96 39.93 2kw4 s TYR 20 CO 0.24 -0.15 -0.08 0.00 -2.51 0.00 0.00 175.55 173.04 2kw4 s ALA 21 N 0.24 1.18 -0.05 9.51 0.00 -1.26 -2.86 121.76 128.52 2kw4 s ALA 21 Ca -0.05 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.54 2kw4 s ALA 21 Cb -0.11 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2kw4 s ALA 21 CO 0.01 -0.16 -0.07 1.67 0.00 0.00 0.00 175.76 177.21 2kw4 s TRP 22 N -3.38 0.98 0.30 0.00 1.48 -0.21 -4.51 118.94 113.60 2kw4 s TRP 22 Ca 0.13 -0.31 0.04 0.00 -1.06 0.00 0.00 56.10 54.91 2kw4 s TRP 22 Cb 0.03 -0.78 -0.06 0.00 -1.16 0.00 0.00 33.47 31.50 2kw4 s TRP 22 CO -0.02 -0.20 0.02 0.00 -4.06 0.00 0.00 176.95 172.69 2kw4 s ALA 23 N 0.75 2.28 0.33 2.67 0.00 -1.26 -1.32 121.76 125.20 2kw4 s ALA 23 Ca -0.12 -1.98 -0.18 0.00 0.00 0.00 0.00 51.96 49.68 2kw4 s ALA 23 Cb -0.14 0.53 0.05 0.00 0.00 0.00 0.00 23.12 23.55 2kw4 s ALA 23 CO 0.01 -0.25 0.81 1.52 0.00 0.00 0.00 175.76 177.85 2kw4 s TYR 24 N -3.25 0.04 -0.15 0.00 -0.85 -1.15 -4.23 117.35 107.76 2kw4 s TYR 24 Ca 0.34 -0.63 0.01 0.00 -0.52 0.00 0.00 57.07 56.27 2kw4 s TYR 24 Cb 0.07 0.79 0.00 0.00 0.38 0.00 0.00 41.96 43.20 2kw4 s TYR 24 CO 0.14 -1.41 -0.17 0.00 -1.52 0.00 0.00 175.55 172.59 2kw4 s ALA 25 N -2.68 2.43 -0.04 9.51 0.00 -1.26 -4.44 121.76 125.28 2kw4 s ALA 25 Ca 0.15 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.10 2kw4 s ALA 25 Cb -0.05 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2kw4 s ALA 25 CO 0.09 -0.01 -0.13 -0.06 0.00 0.00 0.00 175.76 175.65 2kw4 s PHE 26 N 0.78 2.73 -0.06 0.00 0.40 -1.04 -4.88 117.98 115.91 2kw4 s PHE 26 Ca -0.06 -0.14 -0.03 0.00 -0.60 0.00 0.00 56.93 56.10 2kw4 s PHE 26 Cb -0.15 -1.63 0.03 0.00 0.51 0.00 0.00 43.02 41.78 2kw4 s PHE 26 CO 0.00 0.22 0.13 0.08 0.70 0.00 0.00 175.22 176.35 2kw4 s VAL 27 N -0.76 -0.03 0.00 -0.44 1.01 -1.26 -2.61 120.40 116.31 2kw4 s VAL 27 Ca 0.12 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2kw4 s VAL 27 Cb -0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 2kw4 s VAL 27 CO 0.01 0.05 -0.01 -0.54 0.00 0.00 0.00 175.10 174.61 2kw4 s LYS 28 N 0.82 0.12 -0.48 2.72 -0.14 0.97 -4.79 119.74 118.95 2kw4 s LYS 28 Ca -0.06 -0.14 0.00 0.00 -1.36 0.00 0.00 55.97 54.41 2kw4 s LYS 28 Cb -0.08 -0.04 0.00 0.00 -1.68 0.00 0.00 37.83 36.03 2kw4 s LYS 28 CO -0.04 0.01 0.00 -0.25 -0.76 0.00 0.00 175.35 174.31 2kw4 n ASP 29 N 2.79 -4.93 0.00 2.83 8.00 -1.26 -1.51 116.55 122.47 2kw4 n ASP 29 Ca -0.14 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2kw4 n ASP 29 Cb 0.59 -2.83 0.00 0.00 -0.02 0.00 0.00 41.12 38.86 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 -0.59 0.75 3.31 0.44 0.00 -1.26 -4.93 105.19 102.91 2kw4 n GLY 30 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.49 1.38 0.08 1.61 -2.85 -0.57 -4.77 119.74 114.14 2kw4 s LYS 31 Ca 0.00 -1.74 -0.31 0.00 -1.00 0.00 0.00 55.97 52.92 2kw4 s LYS 31 Cb 0.00 -0.26 -0.09 0.00 -2.06 0.00 0.00 37.83 35.43 2kw4 s LYS 31 CO 0.00 -0.28 1.66 0.08 0.10 0.00 0.00 175.35 176.91 2kw4 s VAL 32 N -3.75 2.95 -0.10 1.79 1.01 -1.26 -0.02 120.40 121.02 2kw4 s VAL 32 Ca 0.37 0.45 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 2kw4 s VAL 32 Cb 0.08 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2kw4 s VAL 32 CO 0.13 0.00 -0.22 1.57 0.00 0.00 0.00 175.10 176.58 2kw4 n HIS 33 N 5.43 0.00 -4.28 5.22 -0.00 -1.07 -4.77 115.22 115.75 2kw4 n HIS 33 Ca 0.16 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.18 2kw4 n HIS 33 Cb 0.40 -0.39 -0.10 0.00 -0.12 0.00 0.00 29.99 29.78 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 -2.51 1.39 -0.34 1.57 2.02 -1.24 -5.02 117.35 113.22 2kw4 s TYR 34 Ca -0.20 -0.70 -0.06 0.00 -0.37 0.00 0.00 57.07 55.74 2kw4 s TYR 34 Cb 0.04 -0.69 0.19 0.00 -0.40 0.00 0.00 41.96 41.11 2kw4 s TYR 34 CO 0.28 0.16 1.00 -1.83 -1.57 0.00 0.00 175.55 173.59 2kw4 s GLU 35 N -3.69 0.29 -0.27 -0.62 -1.05 -1.26 -2.51 118.70 109.59 2kw4 s GLU 35 Ca 0.18 -0.15 -0.24 0.00 -0.15 0.00 0.00 54.97 54.61 2kw4 s GLU 35 Cb 0.01 0.02 0.07 0.00 -0.44 0.00 0.00 34.13 33.79 2kw4 s GLU 35 CO 0.02 -0.40 0.71 0.34 0.95 0.00 0.00 175.26 176.88 2kw4 s ASP 36 N 1.70 -0.76 0.74 0.83 2.15 -1.26 -5.08 116.67 114.99 2kw4 s ASP 36 Ca 0.17 1.43 0.00 0.00 0.43 0.00 0.00 52.55 54.59 2kw4 s ASP 36 Cb 0.04 1.44 0.15 0.00 -0.30 0.00 0.00 42.92 44.25 2kw4 s ASP 36 CO -0.13 -0.25 1.02 0.00 -0.17 0.00 0.00 175.17 175.64 2kw4 s ALA 37 N 0.50 3.81 -0.02 3.66 0.00 -1.26 -4.54 121.76 123.91 2kw4 s ALA 37 Ca -0.01 -1.90 -0.13 0.00 0.00 0.00 0.00 51.96 49.92 2kw4 s ALA 37 Cb -0.05 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.19 2kw4 s ALA 37 CO -0.01 -1.55 0.27 -0.51 0.00 0.00 0.00 175.76 173.96 2kw4 s ASP 38 N -4.80 -0.15 0.18 0.00 1.01 -0.43 -4.96 116.67 107.51 2kw4 s ASP 38 Ca 0.68 0.07 0.07 0.00 0.71 0.00 0.00 52.55 54.08 2kw4 s ASP 38 Cb -0.04 0.32 -0.04 0.00 1.01 0.00 0.00 42.92 44.17 2kw4 s ASP 38 CO 0.45 -0.40 0.07 -0.69 0.21 0.00 0.00 175.17 174.81 2kw4 s VAL 39 N -1.19 4.04 0.00 -1.27 1.01 -1.26 -1.04 120.40 120.68 2kw4 s VAL 39 Ca -0.12 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.52 2kw4 s VAL 39 Cb -0.05 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2kw4 s VAL 39 CO 0.03 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2kw4 n GLY 40 N -0.36 5.10 2.67 4.51 0.00 -1.14 -5.03 105.19 110.95 2kw4 n GLY 40 Ca -0.09 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 43.97 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 0.31 -4.38 1.61 0.00 -1.26 -4.90 118.16 109.54 2kw4 n LYS 41 Ca 0.00 -0.89 -0.24 0.00 -0.00 0.00 0.00 58.31 57.18 2kw4 n LYS 41 Cb 0.00 -0.17 -0.11 0.00 -0.00 0.00 0.00 35.03 34.75 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 -0.35 3.08 -0.00 -5.58 0.01 -1.26 -5.07 114.94 105.78 2kw4 s ASN 42 Ca 0.14 -0.87 -0.24 0.00 -0.71 0.00 0.00 52.86 51.19 2kw4 s ASN 42 Cb 0.22 -0.21 -0.18 0.00 0.41 0.00 0.00 41.25 41.48 2kw4 s ASN 42 CO -0.11 0.05 1.29 1.55 -1.51 0.00 0.00 177.10 178.37 2kw4 h PRO 43 N 3.20 0.13 0.00 -0.60 0.13 -2.02 -2.31 132.00 130.52 2kw4 h PRO 43 Ca -0.44 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 2kw4 h PRO 43 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2kw4 h PRO 43 CO 0.50 0.58 -0.26 0.00 -0.23 0.00 0.00 178.00 178.59 2kw4 h ALA 44 N 0.55 1.47 -0.51 -0.56 0.00 -1.98 -1.56 119.26 116.66 2kw4 h ALA 44 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kw4 h ALA 44 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kw4 h ALA 44 CO 0.01 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.58 2kw4 n ALA 45 N -2.44 2.88 -1.21 0.00 0.00 -1.20 -3.91 120.51 114.63 2kw4 n ALA 45 Ca -0.02 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.24 2kw4 n ALA 45 Cb 0.32 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2kw4 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kw4 n ALA 46 N 0.87 1.30 -0.29 0.00 0.00 -0.68 -4.65 120.51 117.05 2kw4 n ALA 46 Ca 0.20 -0.67 0.03 0.00 0.00 0.00 0.00 53.44 53.00 2kw4 n ALA 46 Cb 0.68 -0.13 0.04 0.00 0.00 0.00 0.00 19.45 20.04 2kw4 n ALA 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kw4 n THR 47 N -0.03 1.24 -1.40 0.00 5.66 -0.68 -4.59 114.28 114.49 2kw4 n THR 47 Ca 0.00 -1.34 0.07 0.00 -3.05 0.00 0.00 64.05 59.74 2kw4 n THR 47 Cb 0.54 0.30 0.12 0.00 -1.55 0.00 0.00 70.33 69.75 2kw4 n THR 47 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 2kw4 n MET 48 N -0.71 1.06 0.00 1.09 0.00 -1.26 -5.03 117.12 112.26 2kw4 n MET 48 Ca 0.05 -2.42 0.00 0.00 0.00 0.00 0.00 57.70 55.33 2kw4 n MET 48 Cb 0.36 -1.28 0.00 0.00 0.00 0.00 0.00 33.22 32.31 2kw4 n MET 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2kw4 n ARG 49 N -1.04 0.00 -0.34 3.17 1.74 -1.26 -2.27 116.66 116.66 2kw4 n ARG 49 Ca 0.13 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.21 2kw4 n ARG 49 Cb 0.69 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.12 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 2.78 -0.12 0.08 0.55 0.23 -1.26 -4.80 115.26 112.73 2kw4 n ASN 50 Ca 0.00 -0.51 -0.09 0.00 -0.53 0.00 0.00 54.58 53.45 2kw4 n ASN 50 Cb 0.00 0.03 -0.01 0.00 -2.08 0.00 0.00 39.78 37.72 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 1.96 1.49 0.08 3.53 2.07 -1.86 -2.81 116.25 120.72 2kw4 h VAL 51 Ca -0.07 -2.62 -0.00 0.00 0.82 0.00 0.00 66.70 64.83 2kw4 h VAL 51 Cb 0.53 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2kw4 h VAL 51 CO -0.03 0.76 -0.04 0.00 0.02 0.00 0.00 177.57 178.28 2kw4 h ALA 52 N 0.97 -0.11 -0.69 1.67 0.00 -1.92 -3.26 119.26 115.91 2kw4 h ALA 52 Ca -0.04 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.80 2kw4 h ALA 52 Cb 1.51 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 2kw4 h ALA 52 CO 0.13 -0.13 0.47 0.78 0.00 0.00 0.00 179.25 180.50 2kw4 h GLY 53 N -0.97 0.59 0.87 0.00 0.00 -1.86 0.26 103.07 101.96 2kw4 h GLY 53 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2kw4 h GLY 53 CO 0.02 0.06 -0.23 0.83 0.00 0.00 0.00 176.54 177.23 2kw4 h GLU 54 N 0.37 -0.54 -0.02 4.80 5.08 -1.59 -2.89 114.58 119.79 2kw4 h GLU 54 Ca 0.34 0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.57 2kw4 h GLU 54 Cb 0.80 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2kw4 h GLU 54 CO -0.10 -0.36 -0.72 0.82 -1.00 0.00 0.00 179.01 177.65 2kw4 h ILE 55 N -0.56 1.47 -1.07 3.13 2.04 -1.45 -2.01 117.51 119.05 2kw4 h ILE 55 Ca -0.03 -2.35 0.31 0.00 1.00 0.00 0.00 64.86 63.78 2kw4 h ILE 55 Cb 0.47 2.26 -0.12 0.00 -0.74 0.00 0.00 36.82 38.69 2kw4 h ILE 55 CO 0.03 0.68 0.66 0.00 0.00 0.00 0.00 178.15 179.52 2kw4 h ALA 56 N 1.18 2.16 -0.59 1.87 0.00 -0.30 0.12 119.26 123.70 2kw4 h ALA 56 Ca -0.02 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.13 2kw4 h ALA 56 Cb 1.28 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 2kw4 h ALA 56 CO 0.10 -0.67 0.07 0.00 0.00 0.00 0.00 179.25 178.76 2kw4 h ALA 57 N 1.70 0.66 -0.94 0.00 0.00 -1.53 0.45 119.26 119.59 2kw4 h ALA 57 Ca 0.68 0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.92 2kw4 h ALA 57 Cb 1.68 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 19.62 2kw4 h ALA 57 CO -0.44 -0.35 0.60 0.00 0.00 0.00 0.00 179.25 179.07 2kw4 h ALA 58 N 1.50 1.88 0.28 0.00 0.00 -0.96 0.94 119.26 122.90 2kw4 h ALA 58 Ca 0.31 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2kw4 h ALA 58 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kw4 h ALA 58 CO -0.44 -0.18 -0.13 -0.07 0.00 0.00 0.00 179.25 178.42 2kw4 h LEU 59 N 0.65 -0.31 -2.01 0.00 3.38 -0.95 -1.44 115.31 114.63 2kw4 h LEU 59 Ca 0.50 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.64 2kw4 h LEU 59 Cb 0.91 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2kw4 h LEU 59 CO -0.26 -0.20 0.43 1.88 0.09 0.00 0.00 178.44 180.39 2kw4 h TYR 60 N -0.41 0.00 -0.42 1.13 0.05 -1.25 0.96 116.97 117.02 2kw4 h TYR 60 Ca -0.04 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.61 2kw4 h TYR 60 Cb 0.28 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 2kw4 h TYR 60 CO 0.14 0.00 -0.25 0.00 -1.05 0.00 0.00 178.16 177.00 2kw4 h ALA 61 N 1.63 0.60 0.00 3.88 0.00 -0.67 -2.79 119.26 121.92 2kw4 h ALA 61 Ca 0.25 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2kw4 h ALA 61 Cb 1.12 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.78 2kw4 h ALA 61 CO -0.00 0.60 -0.70 0.28 0.00 0.00 0.00 179.25 179.43 2kw4 h VAL 62 N 0.74 1.40 -0.52 0.00 2.07 0.23 -1.38 116.25 118.79 2kw4 h VAL 62 Ca 0.09 -2.12 0.10 0.00 0.82 0.00 0.00 66.70 65.59 2kw4 h VAL 62 Cb 0.82 2.56 -0.08 0.00 -1.52 0.00 0.00 31.29 33.07 2kw4 h VAL 62 CO 0.07 0.63 0.01 0.11 0.02 0.00 0.00 177.57 178.40 2kw4 h LYS 63 N -0.00 0.12 0.01 1.57 1.57 -1.10 -1.18 116.57 117.56 2kw4 h LYS 63 Ca -0.09 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.49 2kw4 h LYS 63 Cb 1.40 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.66 2kw4 h LYS 63 CO 0.14 0.08 -0.91 -0.22 -0.57 0.00 0.00 179.45 177.97 2kw4 h LYS 64 N 0.13 0.09 -0.89 3.15 1.63 -1.58 -3.23 116.57 115.87 2kw4 h LYS 64 Ca 0.26 -0.11 0.21 0.00 -0.85 0.00 0.00 60.65 60.16 2kw4 h LYS 64 Cb 0.40 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.00 2kw4 h LYS 64 CO -0.43 0.93 0.59 0.00 -3.45 0.00 0.00 179.45 177.10 2kw4 h ALA 65 N 1.03 2.26 0.00 5.00 0.00 -0.05 0.35 119.26 127.85 2kw4 h ALA 65 Ca -0.03 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2kw4 h ALA 65 Cb 1.57 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2kw4 h ALA 65 CO 0.13 -0.54 -0.61 1.03 0.00 0.00 0.00 179.25 179.25 2kw4 h SER 66 N 0.36 0.00 -0.20 0.00 0.87 -1.46 -2.39 113.55 110.73 2kw4 h SER 66 Ca 0.46 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.82 2kw4 h SER 66 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2kw4 h SER 66 CO -0.16 0.61 -0.65 1.56 -0.53 0.00 0.00 176.83 177.67 2kw4 h GLN 67 N 0.00 0.82 -0.02 2.24 4.20 -0.45 -2.92 115.11 118.98 2kw4 h GLN 67 Ca -0.01 -0.58 0.00 0.00 0.06 0.00 0.00 58.65 58.12 2kw4 h GLN 67 Cb 1.17 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2kw4 h GLN 67 CO 0.08 1.20 0.00 1.28 -0.67 0.00 0.00 178.83 180.72 2kw4 n LEU 68 N -3.97 0.39 -1.70 1.46 4.32 -0.69 -4.88 117.00 111.94 2kw4 n LEU 68 Ca -0.06 -0.14 -0.18 0.00 -0.02 0.00 0.00 56.01 55.61 2kw4 n LEU 68 Cb 0.68 -0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 42.41 2kw4 n LEU 68 CO 0.51 0.07 -0.18 0.61 -1.22 0.00 0.00 177.39 177.18 2kw4 n GLY 69 N 0.98 1.25 2.32 -0.72 0.00 -1.06 -4.91 105.19 103.04 2kw4 n GLY 69 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.50 0.00 -4.04 1.61 0.24 -0.92 -3.71 118.33 109.01 2kw4 n VAL 70 Ca -0.18 -1.31 -0.10 0.00 -2.04 0.00 0.00 64.34 60.71 2kw4 n VAL 70 Cb 0.60 -0.27 -0.11 0.00 -1.47 0.00 0.00 33.84 32.59 2kw4 n VAL 70 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2kw4 s LYS 71 N -3.39 0.48 0.59 7.34 3.01 -1.26 -4.56 119.74 121.95 2kw4 s LYS 71 Ca 0.21 -0.83 0.10 0.00 -1.01 0.00 0.00 55.97 54.44 2kw4 s LYS 71 Cb -0.02 -0.05 0.09 0.00 -1.01 0.00 0.00 37.83 36.85 2kw4 s LYS 71 CO 0.13 -0.02 0.81 0.96 0.51 0.00 0.00 175.35 177.74 2kw4 s ILE 72 N -2.02 2.04 0.36 2.17 -4.36 -1.26 -4.93 121.20 113.18 2kw4 s ILE 72 Ca -0.08 -1.01 -0.27 0.00 -0.26 0.00 0.00 60.65 59.03 2kw4 s ILE 72 Cb -0.06 -2.05 -0.12 0.00 1.25 0.00 0.00 42.46 41.49 2kw4 s ILE 72 CO -0.02 0.00 1.21 -1.14 0.24 0.00 0.00 174.94 175.23 2kw4 n ARG 73 N -2.28 1.88 -4.01 0.37 3.00 -1.26 -4.86 116.66 109.49 2kw4 n ARG 73 Ca 0.16 0.66 -0.13 0.00 -0.00 0.00 0.00 57.85 58.54 2kw4 n ARG 73 Cb 0.62 -2.22 -0.02 0.00 0.00 0.00 0.00 32.46 30.83 2kw4 n ARG 73 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2kw4 s ILE 74 N -1.13 0.00 0.00 5.15 -4.36 -1.26 -4.54 121.20 115.06 2kw4 s ILE 74 Ca 0.58 -1.44 0.00 0.00 -0.26 0.00 0.00 60.65 59.53 2kw4 s ILE 74 Cb -0.58 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 40.44 2kw4 s ILE 74 CO 0.61 0.00 0.00 0.18 0.24 0.00 0.00 174.94 175.97 2kw4 n LEU 75 N -0.56 0.00 -4.14 0.37 4.32 -1.26 -4.46 117.00 111.27 2kw4 n LEU 75 Ca -0.02 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.60 2kw4 n LEU 75 Cb 0.61 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.31 2kw4 n LEU 75 CO 0.29 0.00 -0.03 -1.38 -1.22 0.00 0.00 177.39 175.04 2kw4 s HIS 76 N 0.00 3.50 -0.24 -1.77 -3.43 -1.26 -4.90 115.29 107.19 2kw4 s HIS 76 Ca 0.00 -2.38 -0.18 0.00 -0.80 0.00 0.00 55.06 51.70 2kw4 s HIS 76 Cb 0.00 -3.31 -0.16 0.00 -1.43 0.00 0.00 32.58 27.68 2kw4 s HIS 76 CO 0.00 -0.93 -0.05 -3.47 -2.00 0.00 0.00 174.74 168.29 2kw4 n ASP 77 N 4.25 1.91 -2.48 7.38 2.03 -1.26 -4.91 116.55 123.47 2kw4 n ASP 77 Ca 0.01 0.38 -0.13 0.00 0.52 0.00 0.00 54.79 55.57 2kw4 n ASP 77 Cb 0.40 -0.89 -0.01 0.00 -0.72 0.00 0.00 41.12 39.90 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 -4.33 -1.43 -3.21 -0.67 4.01 -1.26 -4.89 117.16 105.38 2kw4 n TYR 78 Ca -0.43 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 2kw4 n TYR 78 Cb 0.78 -2.79 0.00 0.00 -0.31 0.00 0.00 39.34 37.02 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kw4 n ALA 79 N -2.27 0.00 0.27 -0.72 0.00 -1.26 -4.89 120.51 111.63 2kw4 n ALA 79 Ca -0.14 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.48 2kw4 n ALA 79 Cb 0.61 0.00 0.91 0.00 0.00 0.00 0.00 19.45 20.97 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 2.00 0.00 0.00 -1.19 0.24 103.07 104.12 2kw4 h GLY 80 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2kw4 h GLY 80 CO 0.00 0.00 -0.12 -2.22 0.00 0.00 0.00 176.54 174.20 2kw4 h ILE 81 N 0.00 0.20 -0.24 2.60 1.08 -1.93 -1.89 117.51 117.33 2kw4 h ILE 81 Ca 0.05 -1.26 -0.16 0.00 -0.39 0.00 0.00 64.86 63.10 2kw4 h ILE 81 Cb 0.46 2.08 -0.01 0.00 -3.07 0.00 0.00 36.82 36.28 2kw4 h ILE 81 CO -0.00 0.11 -0.48 0.00 -0.69 0.00 0.00 178.15 177.09 2kw4 h ALA 82 N 1.88 0.70 0.00 1.87 0.00 -0.86 -2.38 119.26 120.48 2kw4 h ALA 82 Ca -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2kw4 h ALA 82 Cb 1.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2kw4 h ALA 82 CO 0.02 0.67 -1.35 0.34 0.00 0.00 0.00 179.25 178.93 2kw4 n PHE 83 N -4.00 0.70 0.14 0.00 7.35 -1.22 -3.97 117.46 116.47 2kw4 n PHE 83 Ca -0.03 0.21 0.01 0.00 -0.76 0.00 0.00 57.45 56.88 2kw4 n PHE 83 Cb 0.57 -0.86 0.14 0.00 0.35 0.00 0.00 39.48 39.68 2kw4 n PHE 83 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 2kw4 h TRP 84 N 0.00 0.00 0.00 -5.13 7.01 -1.32 -3.07 115.95 113.44 2kw4 h TRP 84 Ca -0.03 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.97 2kw4 h TRP 84 Cb 1.10 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.16 2kw4 h TRP 84 CO 0.00 0.57 -0.09 0.00 -2.79 0.00 0.00 178.44 176.13 2kw4 h ALA 85 N 1.43 0.95 0.00 2.65 0.00 -1.56 -3.22 119.26 119.51 2kw4 h ALA 85 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kw4 h ALA 85 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kw4 h ALA 85 CO 0.07 0.00 -0.08 1.79 0.00 0.00 0.00 179.25 181.03 2kw4 h THR 86 N 0.00 0.37 -2.44 0.00 1.35 -1.66 -3.33 112.91 107.20 2kw4 h THR 86 Ca 0.00 -0.45 -0.77 0.00 -0.55 0.00 0.00 66.41 64.65 2kw4 h THR 86 Cb 0.94 1.32 -0.21 0.00 -1.73 0.00 0.00 68.15 68.47 2kw4 h THR 86 CO 0.00 0.08 1.20 0.61 -0.25 0.00 0.00 175.52 177.16 2kw4 n GLY 87 N -0.61 4.08 0.44 5.82 0.00 -1.22 -4.82 105.19 108.88 2kw4 n GLY 87 Ca -0.02 -2.25 0.25 0.00 0.00 0.00 0.00 46.02 44.01 2kw4 n GLY 87 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kw4 h GLU 88 N 6.52 0.06 -6.09 1.61 3.07 -1.81 -3.36 114.58 114.58 2kw4 h GLU 88 Ca 0.29 -0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.57 2kw4 h GLU 88 Cb 0.79 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.63 2kw4 h GLU 88 CO 1.28 0.04 0.51 -1.58 -1.40 0.00 0.00 179.01 177.86 2kw4 s TRP 89 N -5.05 3.45 -0.60 4.33 0.52 -1.26 -4.59 118.94 115.74 2kw4 s TRP 89 Ca -0.05 1.42 -0.26 0.00 0.02 0.00 0.00 56.10 57.23 2kw4 s TRP 89 Cb 0.21 -3.12 -0.05 0.00 -1.15 0.00 0.00 33.47 29.36 2kw4 s TRP 89 CO 0.76 -0.26 2.15 -1.59 0.02 0.00 0.00 176.95 178.03 2kw4 s LYS 90 N 2.22 2.30 -0.08 4.98 -2.85 -1.26 -4.43 119.74 120.63 2kw4 s LYS 90 Ca 0.43 0.85 -0.26 0.00 -1.00 0.00 0.00 55.97 55.99 2kw4 s LYS 90 Cb -0.17 -4.56 -0.24 0.00 -2.06 0.00 0.00 37.83 30.79 2kw4 s LYS 90 CO 0.14 -3.17 0.96 0.00 0.10 0.00 0.00 175.35 173.38 2kw4 h ALA 91 N 16.40 0.01 0.18 0.59 0.00 -1.82 -3.36 119.26 131.26 2kw4 h ALA 91 Ca -0.20 -0.45 -0.32 0.00 0.00 0.00 0.00 54.91 53.93 2kw4 h ALA 91 Cb 1.18 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kw4 h ALA 91 CO 1.18 0.01 -1.55 0.87 0.00 0.00 0.00 179.25 179.75 2kw4 h LYS 92 N -0.69 0.37 -7.14 0.00 1.79 -1.87 -3.47 116.57 105.57 2kw4 h LYS 92 Ca -0.02 -0.63 -0.62 0.00 -2.18 0.00 0.00 60.65 57.20 2kw4 h LYS 92 Cb 0.95 0.24 -0.35 0.00 -1.58 0.00 0.00 32.23 31.48 2kw4 h LYS 92 CO 0.03 1.27 -0.90 0.27 -1.08 0.00 0.00 179.45 179.04 2kw4 n ASN 93 N -3.57 -1.88 0.00 0.86 6.94 -1.26 -4.83 115.26 111.51 2kw4 n ASN 93 Ca -0.18 -1.22 0.00 0.00 -0.02 0.00 0.00 54.58 53.16 2kw4 n ASN 93 Cb 1.07 -1.77 0.00 0.00 -2.36 0.00 0.00 39.78 36.72 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 -4.13 0.00 -0.13 -3.83 -0.58 -1.26 -4.93 120.64 105.77 2kw4 n GLU 94 Ca 0.09 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2kw4 n GLU 94 Cb 0.47 -0.31 0.00 0.00 -0.57 0.00 0.00 31.44 31.03 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 -1.89 0.00 0.03 -0.32 7.35 -1.26 -4.86 117.46 116.50 2kw4 n PHE 95 Ca 0.00 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.50 2kw4 n PHE 95 Cb 0.00 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.73 2kw4 n PHE 95 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 2kw4 h THR 96 N 4.02 1.29 -1.01 -2.13 1.35 -1.92 -3.25 112.91 111.27 2kw4 h THR 96 Ca 0.00 -2.18 0.23 0.00 -0.55 0.00 0.00 66.41 63.91 2kw4 h THR 96 Cb 1.10 2.34 -0.12 0.00 -1.73 0.00 0.00 68.15 69.74 2kw4 h THR 96 CO 0.00 0.67 0.61 -0.61 -0.25 0.00 0.00 175.52 175.94 2kw4 h GLN 97 N 0.37 0.62 -0.97 4.72 -0.00 -1.86 0.84 115.11 118.82 2kw4 h GLN 97 Ca -0.11 -0.04 0.24 0.00 -0.00 0.00 0.00 58.65 58.74 2kw4 h GLN 97 Cb 1.61 -0.14 -0.13 0.00 0.00 0.00 0.00 27.48 28.82 2kw4 h GLN 97 CO 0.19 0.41 0.53 0.00 0.00 0.00 0.00 178.83 179.96 2kw4 h ALA 98 N 1.69 1.69 -0.04 3.38 0.00 -1.85 -1.05 119.26 123.07 2kw4 h ALA 98 Ca 0.62 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.70 2kw4 h ALA 98 Cb 1.13 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2kw4 h ALA 98 CO -0.43 -0.30 -0.33 -0.92 0.00 0.00 0.00 179.25 177.26 2kw4 h TYR 99 N 0.51 -0.93 -0.82 0.00 3.20 -1.00 0.30 116.97 118.23 2kw4 h TYR 99 Ca 0.62 0.03 0.21 0.00 3.14 0.00 0.00 58.73 62.73 2kw4 h TYR 99 Cb 1.19 0.41 -0.05 0.00 1.54 0.00 0.00 36.73 39.83 2kw4 h TYR 99 CO -0.05 -0.42 0.56 0.00 -1.64 0.00 0.00 178.16 176.62 2kw4 h ALA 100 N 0.26 2.47 0.10 1.82 0.00 -1.30 0.46 119.26 123.09 2kw4 h ALA 100 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2kw4 h ALA 100 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kw4 h ALA 100 CO -0.30 -0.72 -0.05 0.87 0.00 0.00 0.00 179.25 179.05 2kw4 h LYS 101 N 0.19 -0.13 -0.07 0.00 1.57 -0.82 -3.26 116.57 114.04 2kw4 h LYS 101 Ca 0.40 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.21 2kw4 h LYS 101 Cb 1.29 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 2kw4 h LYS 101 CO -0.08 0.21 0.23 -0.07 -0.57 0.00 0.00 179.45 179.17 2kw4 h LEU 102 N -0.98 0.00 0.06 2.94 3.38 0.04 -2.88 115.31 117.86 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 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2kw4 h LEU 102 CO 0.02 0.00 -0.15 -0.03 0.09 0.00 0.00 178.44 178.37 2kw4 h MET 103 N 0.00 -0.22 -0.39 1.13 4.05 -0.97 -1.80 114.93 116.73 2kw4 h MET 103 Ca 0.03 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.57 2kw4 h MET 103 Cb 0.50 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 2kw4 h MET 103 CO -0.00 -0.15 0.28 -0.97 0.23 0.00 0.00 176.91 176.30 2kw4 h ASN 104 N -0.23 0.05 -0.53 1.39 -1.24 -1.67 0.30 115.58 113.65 2kw4 h ASN 104 Ca -0.01 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.11 2kw4 h ASN 104 Cb 0.22 -0.01 -0.09 0.00 0.73 0.00 0.00 38.32 39.17 2kw4 h ASN 104 CO -0.07 0.03 -0.06 -0.61 -1.29 0.00 0.00 177.43 175.43 2kw4 h GLN 105 N 0.05 0.05 -0.35 6.67 -0.00 -1.31 -2.94 115.11 117.29 2kw4 h GLN 105 Ca 0.18 -0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.56 2kw4 h GLN 105 Cb 0.66 -0.01 -0.29 0.00 0.00 0.00 0.00 27.48 27.84 2kw4 h GLN 105 CO -0.01 0.04 -0.81 2.48 0.00 0.00 0.00 178.83 180.52 2kw4 n TYR 106 N -5.31 1.22 -2.80 3.99 0.18 -0.80 -5.06 117.16 108.58 2kw4 n TYR 106 Ca 0.06 -1.72 -0.41 0.00 1.88 0.00 0.00 57.90 57.70 2kw4 n TYR 106 Cb 0.29 -0.26 -0.03 0.00 -0.38 0.00 0.00 39.34 38.95 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 -2.97 4.51 0.00 -3.48 3.00 0.98 -4.42 118.95 116.57 2kw4 s ARG 107 Ca 0.40 1.26 0.00 0.00 -1.00 0.00 0.00 55.73 56.39 2kw4 s ARG 107 Cb 0.38 -3.46 0.00 0.00 0.00 0.00 0.00 34.95 31.86 2kw4 s ARG 107 CO -0.04 -0.04 0.00 0.41 0.00 0.00 0.00 175.30 175.63 2kw4 n GLY 108 N 2.98 0.17 0.07 8.12 0.00 -1.26 -4.97 105.19 110.30 2kw4 n GLY 108 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 0.97 -4.55 -0.61 -0.00 -1.26 -5.04 119.36 108.87 2kw4 n ILE 109 Ca 0.00 -0.56 -0.31 0.00 -0.00 0.00 0.00 62.75 61.88 2kw4 n ILE 109 Cb 0.00 -0.72 -0.06 0.00 -0.00 0.00 0.00 39.64 38.86 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 -2.34 1.89 0.12 4.28 1.13 -1.26 -4.21 117.35 116.95 2kw4 s TYR 110 Ca -0.10 -0.90 -0.10 0.00 -1.41 0.00 0.00 57.07 54.55 2kw4 s TYR 110 Cb 0.04 -1.70 0.00 0.00 -1.10 0.00 0.00 41.96 39.21 2kw4 s TYR 110 CO 0.54 0.10 0.27 0.45 -2.51 0.00 0.00 175.55 174.40 2kw4 s SER 111 N -3.95 0.02 0.09 -0.18 0.15 -1.26 -5.00 113.70 103.57 2kw4 s SER 111 Ca 0.14 -0.63 -0.26 0.00 0.70 0.00 0.00 55.95 55.90 2kw4 s SER 111 Cb 0.01 0.40 0.09 0.00 -1.71 0.00 0.00 66.02 64.81 2kw4 s SER 111 CO 0.08 -0.81 1.12 -0.36 1.20 0.00 0.00 173.24 174.47 2kw4 s PHE 112 N -3.88 -0.04 0.41 3.44 0.08 -1.26 -4.70 117.98 112.03 2kw4 s PHE 112 Ca 0.08 -0.20 -0.10 0.00 0.12 0.00 0.00 56.93 56.83 2kw4 s PHE 112 Cb 0.04 0.61 -0.06 0.00 -0.57 0.00 0.00 43.02 43.04 2kw4 s PHE 112 CO -0.08 -0.61 0.76 -1.21 -0.10 0.00 0.00 175.22 173.98 2kw4 s GLU 113 N -2.64 3.76 -0.68 0.44 8.01 -1.26 -4.93 118.70 121.40 2kw4 s GLU 113 Ca 0.17 0.44 -0.29 0.00 0.01 0.00 0.00 54.97 55.29 2kw4 s GLU 113 Cb 0.01 -2.40 -0.14 0.00 -4.31 0.00 0.00 34.13 27.29 2kw4 s GLU 113 CO 0.01 -0.04 2.50 1.17 0.01 0.00 0.00 175.26 178.91 2kw4 n LYS 114 N -1.34 0.63 -4.45 1.61 4.81 -1.26 -4.91 118.16 113.25 2kw4 n LYS 114 Ca 0.02 0.03 -0.31 0.00 -0.87 0.00 0.00 58.31 57.19 2kw4 n LYS 114 Cb 0.54 -2.54 -0.11 0.00 0.02 0.00 0.00 35.03 32.94 2kw4 n LYS 114 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2kw4 s VAL 115 N 10.33 3.14 0.09 3.15 0.11 -1.26 -4.72 120.40 131.25 2kw4 s VAL 115 Ca 1.15 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 2kw4 s VAL 115 Cb -0.70 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 2kw4 s VAL 115 CO 0.38 0.25 0.00 0.29 -3.33 0.00 0.00 175.10 172.69 2kw4 n LYS 116 N 1.21 0.00 -3.60 1.54 5.02 -1.26 -4.55 118.16 116.51 2kw4 n LYS 116 Ca -0.15 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.10 2kw4 n LYS 116 Cb 0.52 -0.11 -0.02 0.00 -0.02 0.00 0.00 35.03 35.40 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 -2.00 -2.09 0.00 7.82 0.00 -1.26 -2.94 121.76 121.29 2kw4 s ALA 117 Ca 0.00 1.62 0.00 0.00 0.00 0.00 0.00 51.96 53.58 2kw4 s ALA 117 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2kw4 s ALA 117 CO 0.00 -0.60 0.00 1.58 0.00 0.00 0.00 175.76 176.74 2kw4 n HIS 118 N -0.09 0.00 0.00 0.00 -0.00 -1.26 -3.99 115.22 109.88 2kw4 n HIS 118 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2kw4 n HIS 118 Cb 0.58 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 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 0.06 0.00 0.00 0.26 3.41 -1.26 -3.48 113.62 112.60 2kw4 n SER 119 Ca 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2kw4 n SER 119 Cb 0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2kw4 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kw4 n GLY 120 N 2.24 1.00 0.00 5.00 0.00 -1.26 -4.97 105.19 107.20 2kw4 n GLY 120 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2kw4 n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kw4 n ASN 121 N 2.92 0.00 0.00 1.61 5.15 -1.26 -4.98 115.26 118.70 2kw4 n ASN 121 Ca 0.00 -0.98 0.11 0.00 -0.60 0.00 0.00 54.58 53.11 2kw4 n ASN 121 Cb 0.00 0.00 0.54 0.00 -0.53 0.00 0.00 39.78 39.79 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 0.24 -0.14 1.20 0.28 -1.26 -3.44 120.64 117.52 2kw4 n GLU 122 Ca 0.00 0.09 0.27 0.00 -0.16 0.00 0.00 57.16 57.36 2kw4 n GLU 122 Cb 0.00 -1.50 0.72 0.00 1.43 0.00 0.00 31.44 32.09 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 0.00 0.00 -0.10 -1.84 0.04 -1.91 0.92 116.94 114.05 2kw4 h PHE 123 Ca 0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 2kw4 h PHE 123 Cb 0.26 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.42 2kw4 h PHE 123 CO 0.00 0.00 -0.68 -2.95 -0.60 0.00 0.00 178.31 174.08 2kw4 h ASN 124 N 0.00 0.76 -0.37 2.17 7.08 -1.82 0.03 115.58 123.43 2kw4 h ASN 124 Ca 0.39 -0.66 0.11 0.00 -3.08 0.00 0.00 56.30 53.05 2kw4 h ASN 124 Cb 1.58 -0.23 -0.01 0.00 -2.08 0.00 0.00 38.32 37.58 2kw4 h ASN 124 CO -0.00 1.31 0.45 0.44 -2.08 0.00 0.00 177.43 177.55 2kw4 h ASP 125 N 0.27 0.00 -0.91 6.14 5.19 -0.98 -0.18 116.42 125.95 2kw4 h ASP 125 Ca -0.06 0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.54 2kw4 h ASP 125 Cb 1.33 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.76 2kw4 h ASP 125 CO 0.14 0.00 0.59 0.22 -3.12 0.00 0.00 179.24 177.07 2kw4 h TYR 126 N 0.00 0.69 -0.16 4.55 5.03 -1.46 0.29 116.97 125.91 2kw4 h TYR 126 Ca 0.18 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.55 2kw4 h TYR 126 Cb 1.08 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 39.14 2kw4 h TYR 126 CO 0.00 0.20 0.26 -0.39 -1.32 0.00 0.00 178.16 176.90 2kw4 h VAL 127 N 0.53 0.28 0.35 1.81 -1.51 -1.23 -1.87 116.25 114.61 2kw4 h VAL 127 Ca 0.48 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.93 2kw4 h VAL 127 Cb 1.01 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2kw4 h VAL 127 CO -0.21 0.00 -0.17 -0.78 -1.23 0.00 0.00 177.57 175.18 2kw4 h ASP 128 N 0.00 -0.40 -0.39 4.19 1.82 -0.61 0.52 116.42 121.56 2kw4 h ASP 128 Ca 0.08 -0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.54 2kw4 h ASP 128 Cb 0.59 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 2kw4 h ASP 128 CO -0.00 -0.25 -0.38 -0.03 -1.61 0.00 0.00 179.24 176.97 2kw4 h MET 129 N -0.51 0.95 -0.38 0.28 4.05 -1.50 -3.01 114.93 114.80 2kw4 h MET 129 Ca -0.05 -0.50 0.02 0.00 -0.28 0.00 0.00 59.70 58.90 2kw4 h MET 129 Cb 0.39 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 2kw4 h MET 129 CO 0.08 1.15 0.21 -0.22 0.23 0.00 0.00 176.91 178.36 2kw4 h LYS 130 N 0.77 0.41 -0.45 0.39 3.11 -1.33 -1.89 116.57 117.58 2kw4 h LYS 130 Ca 0.06 -0.02 0.03 0.00 -2.81 0.00 0.00 60.65 57.91 2kw4 h LYS 130 Cb 0.98 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 32.09 2kw4 h LYS 130 CO 0.09 0.27 0.30 0.00 -2.81 0.00 0.00 179.45 177.31 2kw4 h ALA 131 N 1.19 1.79 -0.63 5.00 0.00 -0.87 -1.50 119.26 124.24 2kw4 h ALA 131 Ca 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2kw4 h ALA 131 Cb 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2kw4 h ALA 131 CO -0.09 0.16 0.41 0.87 0.00 0.00 0.00 179.25 180.60 2kw4 h LYS 132 N 0.51 0.79 -0.20 0.00 1.57 -1.21 -1.35 116.57 116.69 2kw4 h LYS 132 Ca 0.18 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2kw4 h LYS 132 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2kw4 h LYS 132 CO -0.04 0.52 0.13 1.03 -0.57 0.00 0.00 179.45 180.52 2kw4 h SER 133 N 0.81 0.20 -0.98 0.86 0.87 -1.15 -2.02 113.55 112.14 2kw4 h SER 133 Ca 0.24 -0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.97 2kw4 h SER 133 Cb -0.03 -0.05 -0.10 0.00 -0.44 0.00 0.00 62.40 61.77 2kw4 h SER 133 CO -0.06 0.14 0.59 0.00 -0.53 0.00 0.00 176.83 176.97 2kw4 h ALA 134 N 1.88 1.60 0.00 6.23 0.00 -1.30 0.23 119.26 127.90 2kw4 h ALA 134 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kw4 h ALA 134 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2kw4 h ALA 134 CO -0.02 -0.03 -0.58 1.28 0.00 0.00 0.00 179.25 179.91 2kw4 n LEU 135 N -4.77 0.63 -0.79 0.00 4.32 -0.79 -4.96 117.00 110.63 2kw4 n LEU 135 Ca 0.22 0.19 -0.04 0.00 -0.02 0.00 0.00 56.01 56.36 2kw4 n LEU 135 Cb 0.53 -0.21 0.01 0.00 -1.62 0.00 0.00 43.42 42.13 2kw4 n LEU 135 CO 0.22 -0.01 0.01 0.61 -1.22 0.00 0.00 177.39 177.00 2kw4 n GLY 136 N 1.38 0.57 3.76 -0.72 0.00 0.80 -5.01 105.19 105.97 2kw4 n GLY 136 Ca 0.04 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.77 3.16 0.53 -0.61 1.01 -1.17 -5.02 121.20 116.33 2kw4 s ILE 137 Ca 0.06 1.10 -0.09 0.00 0.00 0.00 0.00 60.65 61.72 2kw4 s ILE 137 Cb -0.03 -3.70 0.14 0.00 0.01 0.00 0.00 42.46 38.88 2kw4 s ILE 137 CO 0.08 0.24 0.33 -2.11 0.00 0.00 0.00 174.94 173.47 2kw4 n ARG 138 N 1.46 -2.95 -3.65 2.79 1.85 -1.26 -4.85 116.66 110.04 2kw4 n ARG 138 Ca 0.01 -0.55 -0.02 0.00 -1.00 0.00 0.00 57.85 56.29 2kw4 n ARG 138 Cb 0.43 -0.69 -0.07 0.00 -1.05 0.00 0.00 32.46 31.09 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 -2.42 -0.03 -0.29 2.89 2.15 -1.26 -5.09 116.67 112.61 2kw4 s ASP 139 Ca 0.25 0.06 0.02 0.00 0.43 0.00 0.00 52.55 53.31 2kw4 s ASP 139 Cb -0.04 0.06 0.16 0.00 -0.30 0.00 0.00 42.92 42.80 2kw4 s ASP 139 CO 0.21 -0.01 0.39 -0.76 -0.17 0.00 0.00 175.17 174.83 2kw4 s LEU 140 N -0.11 -0.68 -0.18 -1.34 1.43 -1.26 -5.14 118.68 111.40 2kw4 s LEU 140 Ca 0.08 -0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 52.46 2kw4 s LEU 140 Cb -0.05 1.00 0.06 0.00 0.03 0.00 0.00 46.19 47.24 2kw4 s LEU 140 CO -0.15 -0.36 0.61 -1.61 0.23 0.00 0.00 176.35 175.07 2kw4 s GLU 141 N 2.47 0.78 -0.30 1.70 2.02 -1.26 -5.15 118.70 118.96 2kw4 s GLU 141 Ca 0.10 0.67 -0.19 0.00 0.02 0.00 0.00 54.97 55.57 2kw4 s GLU 141 Cb -0.13 0.38 0.19 0.00 0.10 0.00 0.00 34.13 34.67 2kw4 s GLU 141 CO -0.30 -0.14 1.25 -3.38 0.02 0.00 0.00 175.26 172.72 2kw4 s HIS 142 N -0.08 -0.14 0.00 1.61 -3.43 -1.26 -5.18 115.29 106.80 2kw4 s HIS 142 Ca -0.03 0.24 -0.10 0.00 -0.80 0.00 0.00 55.06 54.36 2kw4 s HIS 142 Cb -0.04 0.08 0.03 0.00 -1.43 0.00 0.00 32.58 31.23 2kw4 s HIS 142 CO 0.03 -0.07 0.46 1.58 -2.00 0.00 0.00 174.74 174.74 2kw4 n HIS 143 N 4.71 -0.34 -1.36 0.38 -0.00 -1.26 -5.17 115.22 112.18 2kw4 n HIS 143 Ca -0.07 -0.30 0.18 0.00 -0.00 0.00 0.00 57.72 57.53 2kw4 n HIS 143 Cb 0.55 0.14 -0.05 0.00 -0.00 0.00 0.00 29.99 30.63 2kw4 n HIS 143 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kw4 n HIS 144 N -0.33 -3.47 -3.54 1.57 8.25 -1.26 -5.06 115.22 111.38 2kw4 n HIS 144 Ca 0.01 1.76 -0.00 0.00 -0.26 0.00 0.00 57.72 59.23 2kw4 n HIS 144 Cb 0.22 -3.15 0.00 0.00 1.12 0.00 0.00 29.99 28.18 2kw4 n HIS 144 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kw4 n HIS 145 N -4.12 -0.64 -4.21 4.41 1.44 -1.26 -5.19 115.22 105.66 2kw4 n HIS 145 Ca -0.01 -0.19 -0.28 0.00 -2.01 0.00 0.00 57.72 55.24 2kw4 n HIS 145 Cb 0.63 0.09 -0.04 0.00 0.12 0.00 0.00 29.99 30.79 2kw4 n HIS 145 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kw4 s HIS 146 N -5.13 1.91 0.00 -1.40 -3.43 -1.26 -5.36 115.29 100.61 2kw4 s HIS 146 Ca 0.04 -0.82 0.00 0.00 -0.80 0.00 0.00 55.06 53.47 2kw4 s HIS 146 Cb -0.00 -1.83 0.00 0.00 -1.43 0.00 0.00 32.58 29.32 2kw4 s HIS 146 CO 0.01 -0.12 0.00 1.58 -2.00 0.00 0.00 174.74 174.21