#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw4 s ASP 2 N 0.00 5.14 0.00 7.83 1.01 -1.26 -4.45 116.67 124.93 2kw4 s ASP 2 Ca 0.00 -0.60 0.00 0.00 0.71 0.00 0.00 52.55 52.66 2kw4 s ASP 2 Cb 0.00 -0.83 0.00 0.00 1.01 0.00 0.00 42.92 43.10 2kw4 s ASP 2 CO 0.00 -0.43 0.00 -0.90 0.21 0.00 0.00 175.17 174.05 2kw4 n ASP 3 N -1.39 0.43 -1.28 0.27 5.75 -1.26 -1.84 116.55 117.23 2kw4 n ASP 3 Ca -0.01 -0.88 -0.05 0.00 -0.01 0.00 0.00 54.79 53.85 2kw4 n ASP 3 Cb 0.61 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.67 2kw4 n ASP 3 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2kw4 n ARG 4 N 0.00 0.26 -1.15 0.11 1.85 -1.26 -4.81 116.66 111.66 2kw4 n ARG 4 Ca 0.00 -0.89 -0.36 0.00 -1.00 0.00 0.00 57.85 55.60 2kw4 n ARG 4 Cb 0.00 0.47 0.07 0.00 -1.05 0.00 0.00 32.46 31.95 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 -0.30 1.20 0.00 8.89 -2.24 -1.26 -4.92 114.28 115.65 2kw4 n THR 5 Ca -0.22 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2kw4 n THR 5 Cb 0.68 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2kw4 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kw4 n GLU 6 N -0.54 0.00 0.04 -0.78 -0.58 -1.26 -4.96 120.64 112.56 2kw4 n GLU 6 Ca 0.08 0.61 0.00 0.00 -0.42 0.00 0.00 57.16 57.43 2kw4 n GLU 6 Cb 0.51 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 2kw4 n GLU 6 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2kw4 n TYR 7 N -2.07 -2.11 -3.34 -0.32 4.01 -1.26 -5.06 117.16 107.01 2kw4 n TYR 7 Ca 0.00 0.26 -0.28 0.00 -0.16 0.00 0.00 57.90 57.72 2kw4 n TYR 7 Cb 0.00 0.91 -0.03 0.00 -0.31 0.00 0.00 39.34 39.91 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 -1.25 6.41 -0.04 7.72 -1.08 -1.26 -3.33 116.67 123.84 2kw4 s ASP 8 Ca 0.00 0.66 -0.06 0.00 -0.52 0.00 0.00 52.55 52.63 2kw4 s ASP 8 Cb 0.00 -2.12 -0.04 0.00 -1.46 0.00 0.00 42.92 39.30 2kw4 s ASP 8 CO 0.00 -0.21 0.20 -0.69 0.52 0.00 0.00 175.17 174.99 2kw4 s VAL 9 N -2.13 5.41 -1.16 1.11 1.01 -1.26 -4.51 120.40 118.87 2kw4 s VAL 9 Ca 0.43 0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.28 2kw4 s VAL 9 Cb -0.11 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 2kw4 s VAL 9 CO 0.31 0.45 1.92 0.00 0.00 0.00 0.00 175.10 177.79 2kw4 n TYR 10 N 1.39 2.75 -4.51 5.22 9.36 -1.26 -4.86 117.16 125.25 2kw4 n TYR 10 Ca -0.14 -1.55 -0.31 0.00 3.32 0.00 0.00 57.90 59.21 2kw4 n TYR 10 Cb 0.53 -2.55 -0.06 0.00 -0.63 0.00 0.00 39.34 36.64 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 10.28 1.29 -1.08 2.97 -4.23 -1.26 -3.86 115.64 119.76 2kw4 s THR 11 Ca 0.67 -1.85 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 2kw4 s THR 11 Cb 0.01 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.70 2kw4 s THR 11 CO 0.13 0.00 0.03 0.47 -0.54 0.00 0.00 174.62 174.72 2kw4 n ASP 12 N -1.41 -3.93 -3.49 3.99 9.92 -1.25 -4.81 116.55 115.56 2kw4 n ASP 12 Ca -0.14 0.16 -0.27 0.00 -0.53 0.00 0.00 54.79 54.00 2kw4 n ASP 12 Cb 0.66 -3.33 -0.10 0.00 -0.64 0.00 0.00 41.12 37.70 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 -0.83 2.55 3.15 0.44 0.00 -1.26 -4.76 105.19 104.48 2kw4 n GLY 13 Ca -0.14 -1.58 0.06 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.30 -0.05 0.16 1.61 1.04 -1.26 -4.84 113.70 110.05 2kw4 s SER 14 Ca 0.31 0.02 -0.24 0.00 0.48 0.00 0.00 55.95 56.52 2kw4 s SER 14 Cb 0.03 1.04 0.06 0.00 0.10 0.00 0.00 66.02 67.24 2kw4 s SER 14 CO -0.19 -0.01 0.74 -0.72 0.98 0.00 0.00 173.24 174.04 2kw4 s TYR 15 N 2.99 -0.34 -0.05 5.02 1.13 -1.26 -1.01 117.35 123.83 2kw4 s TYR 15 Ca 0.13 0.06 -0.02 0.00 -1.41 0.00 0.00 57.07 55.83 2kw4 s TYR 15 Cb -0.03 0.61 0.04 0.00 -1.10 0.00 0.00 41.96 41.47 2kw4 s TYR 15 CO -0.15 -0.90 0.10 0.54 -2.51 0.00 0.00 175.55 172.63 2kw4 s VAL 16 N -3.61 -0.14 0.00 -3.49 0.11 -1.26 -4.98 120.40 107.04 2kw4 s VAL 16 Ca 0.06 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 2kw4 s VAL 16 Cb -0.02 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 2kw4 s VAL 16 CO -0.04 0.14 0.00 -3.20 -3.33 0.00 0.00 175.10 168.67 2kw4 n ASN 17 N 4.97 0.00 -0.42 3.54 5.15 -1.26 -1.04 115.26 126.20 2kw4 n ASN 17 Ca -0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2kw4 n ASN 17 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 2kw4 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kw4 n GLY 18 N 0.00 0.23 2.31 8.20 0.00 -1.26 -5.12 105.19 109.56 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 -1.06 0.00 0.00 0.00 173.32 172.26 2kw4 n GLN 19 N 0.00 0.06 -4.03 1.61 6.02 -0.21 -4.75 117.38 116.08 2kw4 n GLN 19 Ca 0.00 -1.57 -0.16 0.00 -0.01 0.00 0.00 57.00 55.26 2kw4 n GLN 19 Cb 0.62 -0.45 -0.15 0.00 1.02 0.00 0.00 30.24 31.28 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 -1.88 0.38 0.07 1.08 1.13 -1.26 -4.25 117.35 112.63 2kw4 s TYR 20 Ca 0.40 -0.06 0.01 0.00 -1.41 0.00 0.00 57.07 56.02 2kw4 s TYR 20 Cb -0.02 -0.35 -0.04 0.00 -1.10 0.00 0.00 41.96 40.45 2kw4 s TYR 20 CO 0.27 -0.08 -0.06 0.00 -2.51 0.00 0.00 175.55 173.17 2kw4 s ALA 21 N 0.49 0.74 -0.08 9.51 0.00 -0.18 -0.31 121.76 131.94 2kw4 s ALA 21 Ca -0.05 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.83 2kw4 s ALA 21 Cb -0.08 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2kw4 s ALA 21 CO -0.01 -0.19 -0.19 1.67 0.00 0.00 0.00 175.76 177.04 2kw4 s TRP 22 N -2.89 2.10 -0.15 0.00 1.48 -0.11 -4.41 118.94 114.95 2kw4 s TRP 22 Ca 0.03 -0.82 -0.28 0.00 -1.06 0.00 0.00 56.10 53.97 2kw4 s TRP 22 Cb 0.00 -1.44 0.07 0.00 -1.16 0.00 0.00 33.47 30.94 2kw4 s TRP 22 CO -0.04 -0.35 0.70 0.00 -4.06 0.00 0.00 176.95 173.20 2kw4 s ALA 23 N 0.44 -1.77 0.30 2.67 0.00 -1.26 -2.66 121.76 119.48 2kw4 s ALA 23 Ca -0.16 1.63 0.04 0.00 0.00 0.00 0.00 51.96 53.46 2kw4 s ALA 23 Cb -0.17 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 2kw4 s ALA 23 CO 0.07 -0.36 0.19 1.52 0.00 0.00 0.00 175.76 177.18 2kw4 s TYR 24 N -0.50 1.59 0.01 0.00 1.13 -1.25 -4.06 117.35 114.26 2kw4 s TYR 24 Ca -0.06 -1.45 -0.02 0.00 -1.41 0.00 0.00 57.07 54.13 2kw4 s TYR 24 Cb -0.02 -0.79 -0.04 0.00 -1.10 0.00 0.00 41.96 40.01 2kw4 s TYR 24 CO 0.06 -0.63 0.18 0.00 -2.51 0.00 0.00 175.55 172.65 2kw4 s ALA 25 N -3.62 3.92 -0.01 9.51 0.00 -1.26 -4.86 121.76 125.45 2kw4 s ALA 25 Ca 0.37 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.57 2kw4 s ALA 25 Cb 0.04 -1.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 2kw4 s ALA 25 CO 0.19 0.76 -0.13 -0.06 0.00 0.00 0.00 175.76 176.52 2kw4 s PHE 26 N -1.35 1.19 -0.16 0.00 0.08 -1.26 -4.89 117.98 111.59 2kw4 s PHE 26 Ca 0.28 -0.23 -0.11 0.00 0.12 0.00 0.00 56.93 56.99 2kw4 s PHE 26 Cb -0.13 -0.77 0.05 0.00 -0.57 0.00 0.00 43.02 41.61 2kw4 s PHE 26 CO 0.20 -0.02 0.41 0.08 -0.10 0.00 0.00 175.22 175.79 2kw4 s VAL 27 N -0.33 -0.02 -0.04 -0.44 1.01 -1.26 -3.51 120.40 115.81 2kw4 s VAL 27 Ca 0.05 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.13 2kw4 s VAL 27 Cb -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2kw4 s VAL 27 CO -0.00 0.02 -0.14 -0.54 0.00 0.00 0.00 175.10 174.44 2kw4 s LYS 28 N 0.99 1.44 -0.30 2.72 -0.14 0.87 -4.70 119.74 120.61 2kw4 s LYS 28 Ca -0.06 -0.48 0.00 0.00 -1.36 0.00 0.00 55.97 54.07 2kw4 s LYS 28 Cb -0.06 -1.28 0.00 0.00 -1.68 0.00 0.00 37.83 34.81 2kw4 s LYS 28 CO -0.08 0.18 0.00 -3.47 -0.76 0.00 0.00 175.35 171.22 2kw4 n ASP 29 N 3.23 -4.81 0.00 2.83 2.03 -0.77 -1.97 116.55 117.10 2kw4 n ASP 29 Ca -0.18 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2kw4 n ASP 29 Cb 0.53 -2.56 0.00 0.00 -0.72 0.00 0.00 41.12 38.37 2kw4 n ASP 29 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kw4 n GLY 30 N -0.69 0.82 3.25 0.27 0.00 -1.26 -4.95 105.19 102.63 2kw4 n GLY 30 Ca -0.03 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.45 0.92 0.14 1.61 -2.85 -0.83 -4.96 119.74 112.31 2kw4 s LYS 31 Ca 0.00 -0.80 -0.34 0.00 -1.00 0.00 0.00 55.97 53.82 2kw4 s LYS 31 Cb 0.00 0.39 -0.14 0.00 -2.06 0.00 0.00 37.83 36.02 2kw4 s LYS 31 CO 0.00 -0.32 1.59 0.28 0.10 0.00 0.00 175.35 177.00 2kw4 n VAL 32 N -0.03 0.05 -0.09 1.79 0.31 -1.26 -0.09 118.33 119.02 2kw4 n VAL 32 Ca -0.16 -0.01 -0.17 0.00 -0.01 0.00 0.00 64.34 63.99 2kw4 n VAL 32 Cb 0.62 -1.53 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 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 3.64 0.00 -4.21 3.52 -0.00 -1.23 -4.74 115.22 112.20 2kw4 n HIS 33 Ca 0.17 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.25 2kw4 n HIS 33 Cb 0.28 -0.61 -0.03 0.00 -0.12 0.00 0.00 29.99 29.51 2kw4 n HIS 33 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2kw4 n TYR 34 N -3.99 0.08 -3.15 1.57 4.01 -1.26 -5.04 117.16 109.37 2kw4 n TYR 34 Ca -0.30 -1.07 0.05 0.00 -0.16 0.00 0.00 57.90 56.42 2kw4 n TYR 34 Cb 0.65 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.66 2kw4 n TYR 34 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 2kw4 s GLU 35 N -2.64 0.25 0.07 -0.72 -1.05 -1.26 -4.72 118.70 108.62 2kw4 s GLU 35 Ca 0.08 0.40 -0.20 0.00 -0.15 0.00 0.00 54.97 55.10 2kw4 s GLU 35 Cb 0.00 0.21 0.07 0.00 -0.44 0.00 0.00 34.13 33.98 2kw4 s GLU 35 CO 0.06 -0.31 0.93 -0.40 0.95 0.00 0.00 175.26 176.49 2kw4 n ASP 36 N 5.41 -1.20 -2.27 0.83 5.68 -1.26 -5.20 116.55 118.55 2kw4 n ASP 36 Ca -0.03 -1.48 -0.01 0.00 -0.50 0.00 0.00 54.79 52.76 2kw4 n ASP 36 Cb 0.54 1.91 0.01 0.00 -1.14 0.00 0.00 41.12 42.45 2kw4 n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kw4 n ALA 37 N -1.26 -1.49 -3.44 2.12 0.00 -1.26 -4.65 120.51 110.52 2kw4 n ALA 37 Ca -0.10 -0.55 -0.16 0.00 0.00 0.00 0.00 53.44 52.62 2kw4 n ALA 37 Cb 0.47 0.30 -0.06 0.00 0.00 0.00 0.00 19.45 20.16 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 -2.34 -0.55 0.20 0.00 1.01 -1.09 -5.06 116.67 108.84 2kw4 s ASP 38 Ca 0.13 0.49 0.11 0.00 0.71 0.00 0.00 52.55 53.98 2kw4 s ASP 38 Cb -0.01 0.51 -0.04 0.00 1.01 0.00 0.00 42.92 44.38 2kw4 s ASP 38 CO 0.03 -0.63 -0.20 -0.69 0.21 0.00 0.00 175.17 173.88 2kw4 s VAL 39 N -1.62 2.55 0.30 -1.27 1.01 -1.26 -0.94 120.40 119.18 2kw4 s VAL 39 Ca -0.09 -2.01 0.09 0.00 0.00 0.00 0.00 61.98 59.97 2kw4 s VAL 39 Cb -0.01 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 2kw4 s VAL 39 CO 0.05 -0.16 0.02 -0.83 0.00 0.00 0.00 175.10 174.18 2kw4 s GLY 40 N -2.83 1.85 -0.32 4.51 0.00 0.58 -4.93 107.32 106.19 2kw4 s GLY 40 Ca 0.23 -1.80 0.16 0.00 0.00 0.00 0.00 44.72 43.32 2kw4 s GLY 40 CO 0.12 -1.80 1.31 0.58 0.00 0.00 0.00 173.10 173.31 2kw4 n LYS 41 N -0.95 1.45 -3.36 2.90 0.00 -1.26 -4.17 118.16 112.77 2kw4 n LYS 41 Ca -0.05 -2.30 -0.28 0.00 -0.00 0.00 0.00 58.31 55.67 2kw4 n LYS 41 Cb 0.60 -0.52 -0.03 0.00 -0.00 0.00 0.00 35.03 35.09 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 -2.28 6.44 0.00 -5.58 0.02 -1.26 -4.97 114.94 107.32 2kw4 s ASN 42 Ca 0.19 0.69 -0.24 0.00 -1.02 0.00 0.00 52.86 52.48 2kw4 s ASN 42 Cb 0.40 -2.13 -0.18 0.00 0.02 0.00 0.00 41.25 39.36 2kw4 s ASN 42 CO -0.08 -0.19 1.30 1.55 0.02 0.00 0.00 177.10 179.70 2kw4 h PRO 43 N 1.68 0.14 -0.10 -0.60 0.13 -2.00 0.27 132.00 131.51 2kw4 h PRO 43 Ca -0.48 -0.08 0.03 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.66 0.59 0.14 0.00 -0.23 0.00 0.00 178.00 179.16 2kw4 h ALA 44 N 0.55 1.61 0.01 -0.56 0.00 -2.00 -0.94 119.26 117.93 2kw4 h ALA 44 Ca 0.01 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2kw4 h ALA 44 Cb 0.56 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2kw4 h ALA 44 CO 0.01 -0.19 -1.84 0.00 0.00 0.00 0.00 179.25 177.24 2kw4 n ALA 45 N -2.27 0.97 -0.28 0.00 0.00 -1.16 -4.33 120.51 113.44 2kw4 n ALA 45 Ca -0.00 -0.74 0.13 0.00 0.00 0.00 0.00 53.44 52.82 2kw4 n ALA 45 Cb 0.24 -0.31 0.38 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.58 1.84 -0.03 0.00 0.00 -0.17 0.24 119.26 120.56 2kw4 h ALA 46 Ca -0.49 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2kw4 h ALA 46 Cb 1.51 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2kw4 h ALA 46 CO -0.25 -0.10 0.09 0.00 0.00 0.00 0.00 179.25 178.99 2kw4 h THR 47 N 0.69 0.16 -0.63 0.00 1.03 -1.37 0.19 112.91 112.98 2kw4 h THR 47 Ca 0.47 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.81 2kw4 h THR 47 Cb 0.79 0.91 -0.04 0.00 -1.07 0.00 0.00 68.15 68.74 2kw4 h THR 47 CO -0.23 0.00 0.08 0.23 -0.01 0.00 0.00 175.52 175.59 2kw4 n MET 48 N -3.29 4.59 0.00 0.00 2.81 0.84 -4.98 117.12 117.10 2kw4 n MET 48 Ca -0.02 -3.14 0.00 0.00 -1.81 0.00 0.00 57.70 52.73 2kw4 n MET 48 Cb 0.17 -2.26 0.00 0.00 -0.71 0.00 0.00 33.22 30.42 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 0.41 0.00 -0.61 0.03 1.74 0.65 -1.46 116.66 117.42 2kw4 n ARG 49 Ca 0.32 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.38 2kw4 n ARG 49 Cb 1.26 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.69 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 2.05 -0.21 -0.02 0.55 0.23 -1.26 -4.32 115.26 112.28 2kw4 n ASN 50 Ca 0.00 -1.24 -0.13 0.00 -0.53 0.00 0.00 54.58 52.68 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 5.04 1.38 -0.12 3.53 2.07 -1.54 -3.14 116.25 123.47 2kw4 h VAL 51 Ca -0.13 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 65.94 2kw4 h VAL 51 Cb 1.10 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2kw4 h VAL 51 CO -0.06 0.37 0.11 0.00 0.02 0.00 0.00 177.57 178.00 2kw4 h ALA 52 N 0.17 1.88 0.00 1.67 0.00 -1.82 0.09 119.26 121.25 2kw4 h ALA 52 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kw4 h ALA 52 Cb 0.64 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2kw4 h ALA 52 CO 0.01 -0.17 -0.06 0.78 0.00 0.00 0.00 179.25 179.81 2kw4 h GLY 53 N 0.00 0.00 0.49 0.00 0.00 -1.87 -2.65 103.07 99.05 2kw4 h GLY 53 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2kw4 h GLY 53 CO -0.00 0.00 -0.12 0.83 0.00 0.00 0.00 176.54 177.25 2kw4 h GLU 54 N 0.00 -0.32 -0.07 4.80 5.08 -0.92 -3.25 114.58 119.90 2kw4 h GLU 54 Ca -0.00 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2kw4 h GLU 54 Cb 0.80 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2kw4 h GLU 54 CO 0.01 0.05 -0.33 0.82 -1.00 0.00 0.00 179.01 178.55 2kw4 h ILE 55 N -0.84 1.26 -0.65 3.13 2.04 -1.63 -3.13 117.51 117.69 2kw4 h ILE 55 Ca -0.03 -1.26 0.13 0.00 1.00 0.00 0.00 64.86 64.70 2kw4 h ILE 55 Cb 0.51 1.58 -0.12 0.00 -0.74 0.00 0.00 36.82 38.05 2kw4 h ILE 55 CO 0.06 0.37 -0.19 0.00 0.00 0.00 0.00 178.15 178.39 2kw4 h ALA 56 N 1.54 0.38 -0.30 1.87 0.00 -1.50 -0.83 119.26 120.41 2kw4 h ALA 56 Ca 0.02 0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.24 2kw4 h ALA 56 Cb 0.65 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 2kw4 h ALA 56 CO 0.05 -0.45 -0.26 0.00 0.00 0.00 0.00 179.25 178.58 2kw4 h ALA 57 N 1.58 -0.12 -0.85 0.00 0.00 -1.60 0.11 119.26 118.37 2kw4 h ALA 57 Ca 0.31 0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.53 2kw4 h ALA 57 Cb 0.50 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2kw4 h ALA 57 CO -0.68 -0.67 0.59 0.00 0.00 0.00 0.00 179.25 178.48 2kw4 h ALA 58 N 0.82 2.50 0.20 0.00 0.00 -1.31 0.27 119.26 121.75 2kw4 h ALA 58 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2kw4 h ALA 58 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kw4 h ALA 58 CO -0.44 -0.76 -0.10 -0.07 0.00 0.00 0.00 179.25 177.89 2kw4 h LEU 59 N 0.19 -0.23 -2.28 0.00 3.38 -0.30 -2.35 115.31 113.71 2kw4 h LEU 59 Ca 0.43 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.43 2kw4 h LEU 59 Cb 1.37 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 2kw4 h LEU 59 CO -0.09 -0.12 0.11 1.88 0.09 0.00 0.00 178.44 180.31 2kw4 h TYR 60 N -0.37 0.00 -0.50 1.13 0.05 -1.12 -0.95 116.97 115.22 2kw4 h TYR 60 Ca -0.03 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.65 2kw4 h TYR 60 Cb 0.21 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 2kw4 h TYR 60 CO 0.11 0.00 -0.09 0.00 -1.05 0.00 0.00 178.16 177.14 2kw4 h ALA 61 N 1.89 0.90 0.02 3.88 0.00 -0.45 -2.38 119.26 123.11 2kw4 h ALA 61 Ca 0.05 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 54.39 2kw4 h ALA 61 Cb 0.26 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kw4 h ALA 61 CO -0.00 0.64 -1.00 0.28 0.00 0.00 0.00 179.25 179.17 2kw4 h VAL 62 N 0.82 1.38 -0.46 0.00 2.07 -0.63 -1.89 116.25 117.54 2kw4 h VAL 62 Ca 0.14 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.21 2kw4 h VAL 62 Cb 0.61 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 2kw4 h VAL 62 CO 0.04 0.74 0.30 0.11 0.02 0.00 0.00 177.57 178.77 2kw4 h LYS 63 N 0.26 0.61 0.00 1.57 1.57 -1.30 -2.56 116.57 116.71 2kw4 h LYS 63 Ca -0.10 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.47 2kw4 h LYS 63 Cb 1.65 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.80 2kw4 h LYS 63 CO 0.18 0.42 -0.80 -0.22 -0.57 0.00 0.00 179.45 178.45 2kw4 h LYS 64 N 0.62 0.02 -0.94 3.15 1.63 -1.49 -3.22 116.57 116.34 2kw4 h LYS 64 Ca 0.17 -0.02 0.19 0.00 -0.85 0.00 0.00 60.65 60.14 2kw4 h LYS 64 Cb -0.05 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.50 2kw4 h LYS 64 CO -0.04 0.81 0.60 0.00 -3.45 0.00 0.00 179.45 177.38 2kw4 h ALA 65 N 1.18 1.99 0.00 5.00 0.00 -0.92 0.31 119.26 126.83 2kw4 h ALA 65 Ca -0.01 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2kw4 h ALA 65 Cb 1.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2kw4 h ALA 65 CO 0.11 -0.29 -0.49 1.03 0.00 0.00 0.00 179.25 179.60 2kw4 h SER 66 N 0.56 0.00 -0.04 0.00 0.87 -1.53 -1.87 113.55 111.54 2kw4 h SER 66 Ca 0.50 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 61.01 2kw4 h SER 66 Cb 1.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2kw4 h SER 66 CO -0.24 0.49 -0.17 1.56 -0.53 0.00 0.00 176.83 177.93 2kw4 h GLN 67 N 0.00 0.19 0.00 2.24 4.20 -0.54 -3.10 115.11 118.10 2kw4 h GLN 67 Ca -0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2kw4 h GLN 67 Cb 0.93 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.74 2kw4 h GLN 67 CO 0.06 0.79 0.00 1.28 -0.67 0.00 0.00 178.83 180.30 2kw4 n LEU 68 N -4.58 0.00 -1.44 1.46 4.32 -0.56 -4.87 117.00 111.33 2kw4 n LEU 68 Ca -0.09 0.39 -0.15 0.00 -0.02 0.00 0.00 56.01 56.14 2kw4 n LEU 68 Cb 0.42 -0.39 -0.03 0.00 -1.62 0.00 0.00 43.42 41.80 2kw4 n LEU 68 CO 0.38 -0.12 -0.17 0.61 -1.22 0.00 0.00 177.39 176.87 2kw4 n GLY 69 N 0.52 0.55 0.72 -0.72 0.00 -0.83 -4.75 105.19 100.68 2kw4 n GLY 69 Ca 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.37 0.00 -4.44 1.61 0.24 -0.77 -4.70 118.33 106.91 2kw4 n VAL 70 Ca -0.16 -0.42 -0.24 0.00 -2.04 0.00 0.00 64.34 61.48 2kw4 n VAL 70 Cb 0.57 -0.40 -0.07 0.00 -1.47 0.00 0.00 33.84 32.47 2kw4 n VAL 70 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2kw4 n LYS 71 N -0.73 0.53 -4.09 7.34 4.01 -1.26 -4.59 118.16 119.36 2kw4 n LYS 71 Ca -0.01 -3.41 -0.18 0.00 -0.51 0.00 0.00 58.31 54.21 2kw4 n LYS 71 Cb 0.12 2.11 -0.06 0.00 -0.51 0.00 0.00 35.03 36.69 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 -0.84 0.00 -1.63 -0.18 -5.35 -1.26 -5.02 119.36 105.08 2kw4 n ILE 72 Ca -0.02 -2.20 -0.42 0.00 -0.27 0.00 0.00 62.75 59.85 2kw4 n ILE 72 Cb 0.61 1.15 0.01 0.00 -1.74 0.00 0.00 39.64 39.66 2kw4 n ILE 72 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2kw4 n ARG 73 N -0.60 1.48 0.00 6.28 0.00 -1.21 -4.79 116.66 117.82 2kw4 n ARG 73 Ca 0.06 0.53 0.00 0.00 -0.00 0.00 0.00 57.85 58.44 2kw4 n ARG 73 Cb 0.58 -2.09 0.00 0.00 -0.00 0.00 0.00 32.46 30.95 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 -0.34 0.00 0.00 8.89 -5.35 -1.26 -4.36 119.36 116.94 2kw4 n ILE 74 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 2kw4 n ILE 74 Cb 0.38 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 2kw4 n ILE 74 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 2kw4 n LEU 75 N -1.81 0.53 -4.22 7.28 0.00 -1.26 -4.27 117.00 113.25 2kw4 n LEU 75 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 56.01 55.64 2kw4 n LEU 75 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.54 2kw4 n LEU 75 CO 0.00 -0.03 1.92 1.57 0.00 0.00 0.00 177.39 180.85 2kw4 n HIS 76 N -2.68 3.03 -3.23 1.96 -0.00 -1.26 -4.72 115.22 108.32 2kw4 n HIS 76 Ca 0.00 -2.04 0.04 0.00 0.46 0.00 0.00 57.72 56.17 2kw4 n HIS 76 Cb 0.35 -2.38 -0.03 0.00 -0.12 0.00 0.00 29.99 27.81 2kw4 n HIS 76 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2kw4 s ASP 77 N 5.18 -0.26 -0.31 0.26 2.15 -1.26 -4.28 116.67 118.15 2kw4 s ASP 77 Ca 0.60 0.30 0.05 0.00 0.43 0.00 0.00 52.55 53.93 2kw4 s ASP 77 Cb 0.06 1.27 0.56 0.00 -0.30 0.00 0.00 42.92 44.52 2kw4 s ASP 77 CO 0.09 -0.05 1.67 0.00 -0.17 0.00 0.00 175.17 176.71 2kw4 n TYR 78 N 4.90 2.23 -0.27 -5.34 9.36 -1.26 -4.81 117.16 121.98 2kw4 n TYR 78 Ca -0.07 -1.32 -0.25 0.00 3.32 0.00 0.00 57.90 59.58 2kw4 n TYR 78 Cb 0.54 -0.71 0.24 0.00 -0.63 0.00 0.00 39.34 38.79 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2kw4 n ALA 79 N -0.48 -4.35 0.56 2.98 0.00 -1.26 -4.72 120.51 113.25 2kw4 n ALA 79 Ca 0.41 -1.26 0.09 0.00 0.00 0.00 0.00 53.44 52.68 2kw4 n ALA 79 Cb 1.32 -0.11 0.39 0.00 0.00 0.00 0.00 19.45 21.05 2kw4 n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kw4 n GLY 80 N -4.40 -1.14 0.16 0.00 0.00 -1.20 -3.23 105.19 95.37 2kw4 n GLY 80 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2kw4 n GLY 80 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kw4 h ILE 81 N 0.00 1.13 0.00 -0.61 5.03 -1.92 -1.60 117.51 119.54 2kw4 h ILE 81 Ca 0.00 -0.33 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 2kw4 h ILE 81 Cb 0.32 0.76 0.00 0.00 -3.03 0.00 0.00 36.82 34.87 2kw4 h ILE 81 CO 0.00 0.13 0.00 0.00 -0.68 0.00 0.00 178.15 177.60 2kw4 n ALA 82 N -2.23 2.44 -0.07 1.87 0.00 -1.20 -1.75 120.51 119.57 2kw4 n ALA 82 Ca -0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 2kw4 n ALA 82 Cb 0.07 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.42 -3.38 116.94 115.71 2kw4 h PHE 83 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2kw4 h PHE 83 Cb 0.28 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2kw4 h PHE 83 CO 0.00 0.61 -0.17 0.11 -2.23 0.00 0.00 178.31 176.63 2kw4 h TRP 84 N -1.00 0.00 -1.14 0.41 0.09 -1.43 -3.28 115.95 109.60 2kw4 h TRP 84 Ca -0.09 0.00 0.32 0.00 0.09 0.00 0.00 58.89 59.21 2kw4 h TRP 84 Cb 0.70 0.00 -0.06 0.00 0.08 0.00 0.00 29.16 29.88 2kw4 h TRP 84 CO 0.02 0.17 0.80 0.00 0.09 0.00 0.00 178.44 179.52 2kw4 h ALA 85 N 1.83 2.89 -0.45 0.11 0.00 -1.52 0.29 119.26 122.42 2kw4 h ALA 85 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2kw4 h ALA 85 Cb 1.13 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kw4 h ALA 85 CO 0.02 -1.25 -0.08 1.79 0.00 0.00 0.00 179.25 179.73 2kw4 h THR 86 N 0.09 1.27 -4.46 0.00 1.35 -1.74 -3.35 112.91 106.07 2kw4 h THR 86 Ca 0.57 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 2kw4 h THR 86 Cb 2.07 1.11 -0.05 0.00 -1.73 0.00 0.00 68.15 69.56 2kw4 h THR 86 CO -0.09 0.41 -1.06 0.61 -0.25 0.00 0.00 175.52 175.14 2kw4 n GLY 87 N -0.24 -5.25 0.07 5.82 0.00 0.10 -4.93 105.19 100.76 2kw4 n GLY 87 Ca -0.00 0.60 -0.06 0.00 0.00 0.00 0.00 46.02 46.56 2kw4 n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kw4 n GLU 88 N 1.52 0.38 -3.01 1.61 1.02 -1.26 -5.02 120.64 115.88 2kw4 n GLU 88 Ca -0.15 0.15 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 2kw4 n GLU 88 Cb 0.23 -1.16 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 2kw4 n GLU 88 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kw4 s TRP 89 N -2.37 3.53 -0.97 -0.32 0.52 -1.26 -4.97 118.94 113.10 2kw4 s TRP 89 Ca -0.21 0.62 -0.25 0.00 0.02 0.00 0.00 56.10 56.29 2kw4 s TRP 89 Cb 0.03 -2.13 -0.09 0.00 -1.15 0.00 0.00 33.47 30.13 2kw4 s TRP 89 CO 0.31 -0.06 2.04 0.15 0.02 0.00 0.00 176.95 179.40 2kw4 s LYS 90 N -4.40 2.24 0.00 4.98 1.02 -1.26 -4.71 119.74 117.61 2kw4 s LYS 90 Ca 0.44 -0.39 0.29 0.00 0.02 0.00 0.00 55.97 56.33 2kw4 s LYS 90 Cb -0.10 -5.05 1.68 0.00 -0.52 0.00 0.00 37.83 33.84 2kw4 s LYS 90 CO 0.39 -3.93 2.08 0.00 -0.92 0.00 0.00 175.35 172.98 2kw4 n ALA 91 N 15.47 2.67 -0.22 5.17 0.00 -1.26 -3.94 120.51 138.39 2kw4 n ALA 91 Ca 0.43 -0.19 0.31 0.00 0.00 0.00 0.00 53.44 53.98 2kw4 n ALA 91 Cb 0.46 -1.45 0.69 0.00 0.00 0.00 0.00 19.45 19.15 2kw4 n ALA 91 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kw4 h LYS 92 N 0.12 0.00 -2.71 0.00 1.57 -1.90 -2.25 116.57 111.40 2kw4 h LYS 92 Ca 0.00 0.00 -0.78 0.00 -1.87 0.00 0.00 60.65 58.00 2kw4 h LYS 92 Cb 0.03 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.04 2kw4 h LYS 92 CO 0.00 0.00 0.64 0.09 -0.57 0.00 0.00 179.45 179.61 2kw4 n ASN 93 N -3.83 6.26 0.00 0.86 4.13 -1.25 -4.69 115.26 116.73 2kw4 n ASN 93 Ca 0.22 -3.47 0.00 0.00 1.68 0.00 0.00 54.58 53.00 2kw4 n ASN 93 Cb 1.20 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 2kw4 n ASN 93 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2kw4 n GLU 94 N 0.98 0.00 0.00 3.52 -0.58 -0.85 -5.08 120.64 118.64 2kw4 n GLU 94 Ca 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 2kw4 n GLU 94 Cb 0.33 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 2kw4 n GLU 94 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2kw4 n PHE 95 N -0.53 0.00 0.02 -0.32 -0.00 -1.26 -4.97 117.46 110.40 2kw4 n PHE 95 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 57.45 57.67 2kw4 n PHE 95 Cb 0.00 0.00 0.72 0.00 -0.00 0.00 0.00 39.48 40.20 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 0.38 -0.75 -2.13 2.02 -1.84 -1.03 112.91 109.56 2kw4 h THR 96 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.34 2kw4 h THR 96 Cb 0.00 0.59 -0.11 0.00 -1.74 0.00 0.00 68.15 66.89 2kw4 h THR 96 CO 0.00 0.00 0.21 1.56 0.37 0.00 0.00 175.52 177.66 2kw4 h GLN 97 N 0.00 0.29 -0.74 6.66 7.50 -1.84 0.39 115.11 127.37 2kw4 h GLN 97 Ca 0.25 -0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.40 2kw4 h GLN 97 Cb 1.31 -0.07 -0.04 0.00 0.05 0.00 0.00 27.48 28.74 2kw4 h GLN 97 CO -0.00 0.19 0.49 0.00 -1.50 0.00 0.00 178.83 178.01 2kw4 h ALA 98 N 1.61 0.95 -0.93 3.87 0.00 -1.50 -2.09 119.26 121.17 2kw4 h ALA 98 Ca 0.43 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.43 2kw4 h ALA 98 Cb 0.72 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 2kw4 h ALA 98 CO -0.50 0.34 0.59 1.88 0.00 0.00 0.00 179.25 181.56 2kw4 h TYR 99 N 0.99 0.92 -0.06 0.00 0.05 -1.04 0.21 116.97 118.04 2kw4 h TYR 99 Ca 0.28 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.94 2kw4 h TYR 99 Cb -0.09 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.35 2kw4 h TYR 99 CO -0.02 0.33 -0.60 0.00 -1.05 0.00 0.00 178.16 176.82 2kw4 h ALA 100 N 1.59 0.87 -0.05 3.88 0.00 -1.05 -3.23 119.26 121.26 2kw4 h ALA 100 Ca 0.47 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2kw4 h ALA 100 Cb 0.68 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2kw4 h ALA 100 CO -0.23 0.73 -0.39 0.87 0.00 0.00 0.00 179.25 180.23 2kw4 h LYS 101 N 0.15 0.35 -0.27 0.00 1.57 -0.49 -3.13 116.57 114.76 2kw4 h LYS 101 Ca -0.01 -0.31 0.08 0.00 -1.87 0.00 0.00 60.65 58.54 2kw4 h LYS 101 Cb 1.10 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2kw4 h LYS 101 CO 0.09 0.97 0.46 -0.07 -0.57 0.00 0.00 179.45 180.33 2kw4 h LEU 102 N -0.16 0.00 0.08 2.94 3.38 -0.72 -2.56 115.31 118.28 2kw4 h LEU 102 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kw4 h LEU 102 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2kw4 h LEU 102 CO 0.08 0.00 -0.20 -0.03 0.09 0.00 0.00 178.44 178.38 2kw4 h MET 103 N 0.00 -0.30 -0.58 1.13 4.05 -1.56 -1.65 114.93 116.01 2kw4 h MET 103 Ca 0.13 0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.71 2kw4 h MET 103 Cb 1.05 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.89 2kw4 h MET 103 CO -0.00 -0.20 0.41 -0.97 0.23 0.00 0.00 176.91 176.37 2kw4 h ASN 104 N -0.32 0.13 -0.96 1.39 -1.24 -1.65 0.36 115.58 113.29 2kw4 h ASN 104 Ca -0.01 0.01 0.21 0.00 0.71 0.00 0.00 56.30 57.22 2kw4 h ASN 104 Cb 0.30 -0.02 -0.12 0.00 0.73 0.00 0.00 38.32 39.22 2kw4 h ASN 104 CO -0.09 0.07 0.54 -0.61 -1.29 0.00 0.00 177.43 176.04 2kw4 h GLN 105 N 0.14 0.59 -0.13 6.67 -0.00 -1.28 -2.75 115.11 118.34 2kw4 h GLN 105 Ca 0.28 -0.04 -0.18 0.00 -0.00 0.00 0.00 58.65 58.71 2kw4 h GLN 105 Cb 0.91 -0.13 -0.31 0.00 0.00 0.00 0.00 27.48 27.95 2kw4 h GLN 105 CO -0.04 0.39 -0.92 2.48 0.00 0.00 0.00 178.83 180.74 2kw4 n TYR 106 N -4.88 0.43 -2.61 3.99 0.18 -0.44 -5.07 117.16 108.76 2kw4 n TYR 106 Ca 0.24 -1.14 -0.42 0.00 1.88 0.00 0.00 57.90 58.45 2kw4 n TYR 106 Cb 0.63 -0.20 -0.03 0.00 -0.38 0.00 0.00 39.34 39.37 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 -1.66 4.45 0.00 -3.48 3.00 0.11 -4.37 118.95 117.00 2kw4 s ARG 107 Ca 0.35 1.51 0.00 0.00 -1.00 0.00 0.00 55.73 56.59 2kw4 s ARG 107 Cb 0.37 -3.49 0.00 0.00 0.00 0.00 0.00 34.95 31.83 2kw4 s ARG 107 CO -0.11 -0.25 0.00 0.41 0.00 0.00 0.00 175.30 175.35 2kw4 n GLY 108 N 3.10 0.11 0.08 8.12 0.00 -1.26 -4.97 105.19 110.37 2kw4 n GLY 108 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2kw4 n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kw4 n ILE 109 N 0.00 1.13 -4.73 -0.61 -0.00 -1.26 -5.03 119.36 108.85 2kw4 n ILE 109 Ca 0.00 -0.65 -0.32 0.00 -0.00 0.00 0.00 62.75 61.78 2kw4 n ILE 109 Cb 0.00 -0.68 -0.08 0.00 -0.00 0.00 0.00 39.64 38.88 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 -2.40 1.92 0.14 4.28 1.13 -1.26 -4.22 117.35 116.94 2kw4 s TYR 110 Ca -0.11 -0.95 -0.16 0.00 -1.41 0.00 0.00 57.07 54.43 2kw4 s TYR 110 Cb 0.05 -1.60 0.03 0.00 -1.10 0.00 0.00 41.96 39.35 2kw4 s TYR 110 CO 0.63 0.21 0.43 -1.12 -2.51 0.00 0.00 175.55 173.20 2kw4 s SER 111 N -3.85 -0.25 -0.03 -0.18 0.01 -1.26 -4.99 113.70 103.16 2kw4 s SER 111 Ca 0.09 -0.35 -0.31 0.00 1.31 0.00 0.00 55.95 56.69 2kw4 s SER 111 Cb 0.02 0.50 0.12 0.00 0.21 0.00 0.00 66.02 66.88 2kw4 s SER 111 CO 0.05 -0.90 1.32 -0.36 0.41 0.00 0.00 173.24 173.76 2kw4 s PHE 112 N -3.82 -0.03 0.85 2.43 0.08 -1.26 -4.24 117.98 111.99 2kw4 s PHE 112 Ca 0.05 -0.06 -0.11 0.00 0.12 0.00 0.00 56.93 56.92 2kw4 s PHE 112 Cb 0.01 0.54 0.10 0.00 -0.57 0.00 0.00 43.02 43.10 2kw4 s PHE 112 CO -0.10 -0.23 1.09 -2.00 -0.10 0.00 0.00 175.22 173.89 2kw4 s GLU 113 N -2.30 1.67 0.15 0.44 2.56 -1.26 -4.92 118.70 115.04 2kw4 s GLU 113 Ca 0.16 0.85 -0.34 0.00 0.00 0.00 0.00 54.97 55.64 2kw4 s GLU 113 Cb 0.05 -1.85 -0.15 0.00 2.00 0.00 0.00 34.13 34.17 2kw4 s GLU 113 CO -0.04 -1.96 1.35 1.17 -0.56 0.00 0.00 175.26 175.22 2kw4 n LYS 114 N -3.70 1.49 -4.53 4.30 4.81 -1.26 -4.96 118.16 114.32 2kw4 n LYS 114 Ca 0.07 0.54 -0.33 0.00 -0.87 0.00 0.00 58.31 57.72 2kw4 n LYS 114 Cb 0.55 -2.17 -0.16 0.00 0.02 0.00 0.00 35.03 33.27 2kw4 n LYS 114 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2kw4 s VAL 115 N 0.29 2.12 0.00 3.15 -7.23 -1.26 -4.25 120.40 113.22 2kw4 s VAL 115 Ca 0.77 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 2kw4 s VAL 115 Cb -0.82 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.26 2kw4 s VAL 115 CO 0.47 0.54 0.00 0.29 -0.31 0.00 0.00 175.10 176.09 2kw4 n LYS 116 N 4.20 0.00 0.00 4.82 5.02 -1.26 -4.71 118.16 126.23 2kw4 n LYS 116 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 2kw4 n LYS 116 Cb 0.51 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 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 -1.50 0.00 0.00 7.82 0.00 -1.26 -3.89 120.51 121.68 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 -0.10 0.00 -2.16 0.00 -0.00 -1.26 -4.46 115.22 107.24 2kw4 n HIS 118 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kw4 n HIS 118 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kw4 n HIS 118 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2kw4 n SER 119 N 0.02 0.00 -2.13 0.26 7.64 -1.26 -4.71 113.62 113.45 2kw4 n SER 119 Ca 0.00 -0.91 -0.02 0.00 1.01 0.00 0.00 58.87 58.96 2kw4 n SER 119 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 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 5.00 -0.50 3.21 0.23 0.00 -1.26 -4.92 105.19 106.94 2kw4 n GLY 120 Ca 0.00 -1.77 0.04 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.03 -0.80 -0.23 1.61 6.94 -1.26 -5.01 115.26 113.48 2kw4 n ASN 121 Ca 0.01 -1.01 0.11 0.00 -0.02 0.00 0.00 54.58 53.67 2kw4 n ASN 121 Cb 0.04 1.20 -0.01 0.00 -2.36 0.00 0.00 39.78 38.64 2kw4 n ASN 121 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2kw4 n GLU 122 N -0.79 0.57 -0.01 -3.83 2.13 -1.26 -4.30 120.64 113.15 2kw4 n GLU 122 Ca 0.05 -0.46 0.21 0.00 0.66 0.00 0.00 57.16 57.63 2kw4 n GLU 122 Cb 0.46 -1.49 0.70 0.00 0.27 0.00 0.00 31.44 31.38 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 1.11 0.00 -0.17 4.31 -1.00 -1.90 0.93 116.94 120.22 2kw4 h PHE 123 Ca 0.00 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.61 2kw4 h PHE 123 Cb 0.61 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 2kw4 h PHE 123 CO 0.00 0.00 -0.58 -2.95 -1.61 0.00 0.00 178.31 173.17 2kw4 h ASN 124 N 0.00 0.62 -0.17 2.17 7.08 -1.83 -2.93 115.58 120.52 2kw4 h ASN 124 Ca 0.27 -0.34 0.05 0.00 -3.08 0.00 0.00 56.30 53.19 2kw4 h ASN 124 Cb 1.10 -0.18 -0.01 0.00 -2.08 0.00 0.00 38.32 37.15 2kw4 h ASN 124 CO -0.00 1.06 0.21 0.44 -2.08 0.00 0.00 177.43 177.06 2kw4 h ASP 125 N 0.42 0.00 -0.89 6.14 5.19 -1.08 -1.29 116.42 124.91 2kw4 h ASP 125 Ca 0.00 0.00 0.18 0.00 -0.62 0.00 0.00 57.03 56.59 2kw4 h ASP 125 Cb 1.13 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.57 2kw4 h ASP 125 CO 0.11 0.00 0.58 0.22 -3.12 0.00 0.00 179.24 177.03 2kw4 h TYR 126 N 0.00 0.64 -0.04 4.55 5.03 -1.51 0.29 116.97 125.93 2kw4 h TYR 126 Ca 0.08 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.42 2kw4 h TYR 126 Cb 0.51 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.59 2kw4 h TYR 126 CO 0.00 0.20 0.21 -0.39 -1.32 0.00 0.00 178.16 176.85 2kw4 h VAL 127 N 0.51 0.09 -0.02 1.81 -1.51 -1.44 -1.71 116.25 113.98 2kw4 h VAL 127 Ca 0.46 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.93 2kw4 h VAL 127 Cb 0.99 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2kw4 h VAL 127 CO -0.19 0.00 0.01 0.44 -1.23 0.00 0.00 177.57 176.60 2kw4 h ASP 128 N 0.00 0.02 -0.19 4.19 5.19 -0.60 0.32 116.42 125.35 2kw4 h ASP 128 Ca 0.02 -0.03 -0.20 0.00 -0.62 0.00 0.00 57.03 56.20 2kw4 h ASP 128 Cb 0.43 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 39.94 2kw4 h ASP 128 CO -0.00 0.05 -0.65 -0.03 -3.12 0.00 0.00 179.24 175.49 2kw4 h MET 129 N -0.00 0.78 0.42 3.56 4.05 -1.48 -2.89 114.93 119.37 2kw4 h MET 129 Ca 0.01 -0.58 -0.02 0.00 -0.28 0.00 0.00 59.70 58.82 2kw4 h MET 129 Cb 0.03 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2kw4 h MET 129 CO -0.00 1.20 -0.20 -0.22 0.23 0.00 0.00 176.91 177.92 2kw4 h LYS 130 N 0.52 -0.54 -0.81 0.39 3.11 -1.38 -2.74 116.57 115.12 2kw4 h LYS 130 Ca -0.03 0.04 0.16 0.00 -2.81 0.00 0.00 60.65 58.01 2kw4 h LYS 130 Cb 1.27 0.12 -0.06 0.00 -1.00 0.00 0.00 32.23 32.57 2kw4 h LYS 130 CO 0.14 -0.31 0.54 0.00 -2.81 0.00 0.00 179.45 177.01 2kw4 h ALA 131 N -0.11 2.08 -0.90 5.00 0.00 -0.44 0.07 119.26 124.97 2kw4 h ALA 131 Ca -0.06 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.05 2kw4 h ALA 131 Cb 0.48 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2kw4 h ALA 131 CO 0.09 -0.31 0.59 0.87 0.00 0.00 0.00 179.25 180.49 2kw4 h LYS 132 N 0.46 0.43 -0.05 0.00 1.57 -1.26 0.23 116.57 117.96 2kw4 h LYS 132 Ca 0.41 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 59.02 2kw4 h LYS 132 Cb 0.90 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 2kw4 h LYS 132 CO -0.15 0.29 -0.62 0.77 -0.57 0.00 0.00 179.45 179.17 2kw4 h SER 133 N 0.44 0.22 -0.54 0.86 0.02 -1.00 -2.27 113.55 111.29 2kw4 h SER 133 Ca 0.47 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 2kw4 h SER 133 Cb 1.10 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2kw4 h SER 133 CO -0.18 0.78 0.16 0.00 -1.14 0.00 0.00 176.83 176.45 2kw4 h ALA 134 N 1.22 0.71 0.02 3.77 0.00 -0.55 -3.20 119.26 121.22 2kw4 h ALA 134 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kw4 h ALA 134 Cb 1.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2kw4 h ALA 134 CO 0.09 0.37 -0.01 1.25 0.00 0.00 0.00 179.25 180.96 2kw4 h LEU 135 N 0.75 -0.02 0.00 0.00 6.46 -1.41 -3.45 115.31 117.63 2kw4 h LEU 135 Ca 0.17 -0.54 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 2kw4 h LEU 135 Cb 0.29 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2kw4 h LEU 135 CO -0.00 0.54 0.00 0.61 -0.62 0.00 0.00 178.44 178.97 2kw4 n GLY 136 N 0.43 1.16 3.33 3.75 0.00 -0.86 -5.14 105.19 107.87 2kw4 n GLY 136 Ca -0.09 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 2.03 0.73 -0.61 -1.09 -1.19 -5.03 121.20 116.03 2kw4 s ILE 137 Ca 0.00 -1.49 -0.12 0.00 -2.23 0.00 0.00 60.65 56.81 2kw4 s ILE 137 Cb 0.00 -1.77 0.19 0.00 -1.58 0.00 0.00 42.46 39.29 2kw4 s ILE 137 CO 0.00 0.19 0.42 -2.11 -1.23 0.00 0.00 174.94 172.21 2kw4 n ARG 138 N 1.41 -3.35 -3.58 2.79 -4.01 -1.26 -4.95 116.66 103.71 2kw4 n ARG 138 Ca -0.18 -0.71 0.04 0.00 -1.04 0.00 0.00 57.85 55.96 2kw4 n ARG 138 Cb 0.53 -0.94 -0.00 0.00 -3.04 0.00 0.00 32.46 29.01 2kw4 n ARG 138 CO 0.00 0.00 0.00 0.16 -3.04 0.00 0.00 177.63 174.75 2kw4 s ASP 139 N -2.51 -0.01 -0.35 2.89 1.47 -1.26 -5.09 116.67 111.80 2kw4 s ASP 139 Ca 0.33 -0.02 -0.06 0.00 1.18 0.00 0.00 52.55 53.98 2kw4 s ASP 139 Cb -0.06 0.03 0.20 0.00 -0.34 0.00 0.00 42.92 42.75 2kw4 s ASP 139 CO 0.27 -0.05 1.01 -0.76 0.68 0.00 0.00 175.17 176.32 2kw4 s LEU 140 N -3.04 -0.49 0.93 2.11 1.43 -1.26 -5.16 118.68 113.19 2kw4 s LEU 140 Ca 0.16 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 2kw4 s LEU 140 Cb 0.07 0.64 0.03 0.00 0.03 0.00 0.00 46.19 46.96 2kw4 s LEU 140 CO -0.06 -0.04 0.40 -1.84 0.23 0.00 0.00 176.35 175.03 2kw4 n GLU 141 N 3.28 -0.23 0.00 1.70 0.28 -1.26 -4.85 120.64 119.56 2kw4 n GLU 141 Ca 0.09 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2kw4 n GLU 141 Cb 0.63 -1.84 0.00 0.00 1.43 0.00 0.00 31.44 31.66 2kw4 n GLU 141 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kw4 n HIS 142 N -3.47 -0.13 -2.15 -1.84 -0.00 -1.26 -5.15 115.22 101.21 2kw4 n HIS 142 Ca 0.07 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.99 2kw4 n HIS 142 Cb 0.53 0.03 0.17 0.00 -0.12 0.00 0.00 29.99 30.60 2kw4 n HIS 142 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kw4 n HIS 143 N -1.30 -3.62 -3.88 1.57 -0.00 -1.26 -5.11 115.22 101.62 2kw4 n HIS 143 Ca 0.00 -1.35 -0.00 0.00 0.46 0.00 0.00 57.72 56.83 2kw4 n HIS 143 Cb 0.00 -0.89 0.01 0.00 -0.12 0.00 0.00 29.99 28.99 2kw4 n HIS 143 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kw4 n HIS 144 N -3.43 -0.78 -2.99 1.57 8.25 -1.26 -5.18 115.22 111.39 2kw4 n HIS 144 Ca 0.16 -0.79 -0.08 0.00 -0.26 0.00 0.00 57.72 56.75 2kw4 n HIS 144 Cb 0.57 0.38 0.03 0.00 1.12 0.00 0.00 29.99 32.08 2kw4 n HIS 144 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kw4 n HIS 145 N -0.64 -2.74 -2.12 4.41 -0.00 -1.26 -5.06 115.22 107.81 2kw4 n HIS 145 Ca 0.01 -0.83 -0.02 0.00 0.46 0.00 0.00 57.72 57.34 2kw4 n HIS 145 Cb 0.46 -0.22 -0.02 0.00 -0.12 0.00 0.00 29.99 30.08 2kw4 n HIS 145 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kw4 n HIS 146 N -1.52 0.00 -0.30 1.57 8.25 -1.26 -5.31 115.22 116.65 2kw4 n HIS 146 Ca 0.06 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 2kw4 n HIS 146 Cb 0.24 0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.56 2kw4 n HIS 146 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56