#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 -0.04 0.00 3.17 -0.08 -1.26 -4.71 116.55 113.63 2kw4 n ASP 2 Ca 0.00 -0.81 0.00 0.00 -1.51 0.00 0.00 54.79 52.47 2kw4 n ASP 2 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2kw4 n ASP 2 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kw4 n ASP 3 N -2.49 0.00 -1.23 1.67 2.03 -1.26 -0.01 116.55 115.26 2kw4 n ASP 3 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 2kw4 n ASP 3 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 2kw4 n ASP 3 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2kw4 n ARG 4 N -0.03 0.08 -1.87 -0.67 1.85 -1.26 -4.66 116.66 110.11 2kw4 n ARG 4 Ca 0.00 -1.85 -0.29 0.00 -1.00 0.00 0.00 57.85 54.71 2kw4 n ARG 4 Cb 0.00 -0.20 0.08 0.00 -1.05 0.00 0.00 32.46 31.30 2kw4 n ARG 4 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2kw4 s THR 5 N -0.18 2.33 0.00 8.89 -4.23 -1.26 -5.00 115.64 116.20 2kw4 s THR 5 Ca 0.27 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2kw4 s THR 5 Cb 0.30 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 71.06 2kw4 s THR 5 CO -0.13 -0.14 0.00 1.21 -0.54 0.00 0.00 174.62 175.02 2kw4 n GLU 6 N -3.28 0.00 0.00 3.99 2.13 -1.26 -5.07 120.64 117.15 2kw4 n GLU 6 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2kw4 n GLU 6 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 2kw4 n GLU 6 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2kw4 n TYR 7 N 0.00 0.00 -3.69 4.31 4.01 -1.26 -5.09 117.16 115.44 2kw4 n TYR 7 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 2kw4 n TYR 7 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 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 1.00 -0.20 0.08 7.72 2.15 -1.26 -4.76 116.67 121.39 2kw4 s ASP 8 Ca 0.00 -0.18 -0.15 0.00 0.43 0.00 0.00 52.55 52.65 2kw4 s ASP 8 Cb 0.00 0.42 -0.06 0.00 -0.30 0.00 0.00 42.92 42.97 2kw4 s ASP 8 CO 0.00 -0.71 0.49 -0.69 -0.17 0.00 0.00 175.17 174.09 2kw4 s VAL 9 N -2.97 4.91 -1.13 1.11 1.01 -1.26 -4.30 120.40 117.76 2kw4 s VAL 9 Ca -0.02 0.86 -0.22 0.00 0.00 0.00 0.00 61.98 62.60 2kw4 s VAL 9 Cb 0.00 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 2kw4 s VAL 9 CO -0.06 0.41 1.92 0.00 0.00 0.00 0.00 175.10 177.36 2kw4 n TYR 10 N 1.29 2.81 -4.15 5.22 9.36 -1.26 -4.86 117.16 125.56 2kw4 n TYR 10 Ca -0.09 -1.69 -0.11 0.00 3.32 0.00 0.00 57.90 59.33 2kw4 n TYR 10 Cb 0.52 -2.47 -0.10 0.00 -0.63 0.00 0.00 39.34 36.65 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 9.22 0.63 -0.41 2.97 -4.23 -1.26 -3.01 115.64 119.55 2kw4 s THR 11 Ca 0.65 -1.79 -0.07 0.00 -1.18 0.00 0.00 61.69 59.29 2kw4 s THR 11 Cb 0.03 -1.50 0.01 0.00 1.34 0.00 0.00 72.50 72.37 2kw4 s THR 11 CO 0.12 -0.81 0.47 0.47 -0.54 0.00 0.00 174.62 174.34 2kw4 n ASP 12 N 0.20 -6.35 0.00 3.99 8.00 -0.61 -4.81 116.55 116.97 2kw4 n ASP 12 Ca -0.14 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2kw4 n ASP 12 Cb 0.60 -4.22 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 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 -0.82 -0.22 3.60 0.44 0.00 -1.26 -4.05 105.19 102.87 2kw4 n GLY 13 Ca 0.05 0.43 -0.04 0.00 0.00 0.00 0.00 46.02 46.46 2kw4 n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kw4 s SER 14 N 0.00 -0.13 -0.29 1.61 0.15 -1.26 -4.96 113.70 108.82 2kw4 s SER 14 Ca 0.00 0.02 -0.35 0.00 0.70 0.00 0.00 55.95 56.32 2kw4 s SER 14 Cb 0.00 0.13 0.17 0.00 -1.71 0.00 0.00 66.02 64.61 2kw4 s SER 14 CO 0.00 -0.20 1.38 -0.72 1.20 0.00 0.00 173.24 174.89 2kw4 s TYR 15 N -2.21 -0.02 -0.15 3.44 -0.85 -1.26 -4.17 117.35 112.13 2kw4 s TYR 15 Ca 0.09 0.02 -0.04 0.00 -0.52 0.00 0.00 57.07 56.62 2kw4 s TYR 15 Cb -0.01 0.50 0.06 0.00 0.38 0.00 0.00 41.96 42.89 2kw4 s TYR 15 CO -0.04 -0.02 0.13 0.54 -1.52 0.00 0.00 175.55 174.63 2kw4 s VAL 16 N -1.69 -0.17 0.00 -3.49 0.11 -1.25 -4.97 120.40 108.94 2kw4 s VAL 16 Ca 0.11 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2kw4 s VAL 16 Cb -0.01 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2kw4 s VAL 16 CO -0.04 -0.16 0.00 -3.20 -3.33 0.00 0.00 175.10 168.36 2kw4 n ASN 17 N 5.30 0.00 -0.60 3.54 2.85 -1.26 -2.19 115.26 122.90 2kw4 n ASN 17 Ca -0.06 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.39 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 0.43 2.16 8.20 0.00 -1.26 -5.15 105.19 109.56 2kw4 n GLY 18 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 1.17 -4.59 1.61 6.02 -0.93 -5.02 117.38 115.63 2kw4 n GLN 19 Ca -0.10 -2.09 -0.34 0.00 -0.01 0.00 0.00 57.00 54.47 2kw4 n GLN 19 Cb 0.45 0.42 -0.12 0.00 1.02 0.00 0.00 30.24 32.01 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 -1.85 2.93 0.37 1.08 1.13 -1.25 -3.79 117.35 115.97 2kw4 s TYR 20 Ca 0.08 -0.23 0.04 0.00 -1.41 0.00 0.00 57.07 55.55 2kw4 s TYR 20 Cb -0.01 -1.82 -0.05 0.00 -1.10 0.00 0.00 41.96 38.98 2kw4 s TYR 20 CO 0.05 0.09 0.06 0.00 -2.51 0.00 0.00 175.55 173.24 2kw4 s ALA 21 N -0.16 2.78 -0.15 9.51 0.00 -1.26 -2.86 121.76 129.62 2kw4 s ALA 21 Ca 0.02 -1.77 -0.09 0.00 0.00 0.00 0.00 51.96 50.12 2kw4 s ALA 21 Cb -0.13 0.53 0.05 0.00 0.00 0.00 0.00 23.12 23.58 2kw4 s ALA 21 CO 0.03 -0.25 0.37 1.67 0.00 0.00 0.00 175.76 177.57 2kw4 s TRP 22 N -3.14 -0.53 0.10 0.00 1.48 -0.03 -3.92 118.94 112.89 2kw4 s TRP 22 Ca 0.31 1.16 -0.02 0.00 -1.06 0.00 0.00 56.10 56.49 2kw4 s TRP 22 Cb 0.07 0.21 -0.04 0.00 -1.16 0.00 0.00 33.47 32.55 2kw4 s TRP 22 CO 0.14 -0.31 0.04 0.00 -4.06 0.00 0.00 176.95 172.77 2kw4 s ALA 23 N 1.30 0.64 -0.17 2.67 0.00 -1.26 -1.82 121.76 123.12 2kw4 s ALA 23 Ca -0.09 -1.31 -0.28 0.00 0.00 0.00 0.00 51.96 50.28 2kw4 s ALA 23 Cb -0.08 0.63 0.08 0.00 0.00 0.00 0.00 23.12 23.75 2kw4 s ALA 23 CO -0.11 -0.45 0.78 1.52 0.00 0.00 0.00 175.76 177.49 2kw4 s TYR 24 N -3.99 -0.65 -0.45 0.00 -0.85 -1.17 -4.07 117.35 106.18 2kw4 s TYR 24 Ca 0.17 1.36 -0.16 0.00 -0.52 0.00 0.00 57.07 57.92 2kw4 s TYR 24 Cb 0.07 0.36 0.05 0.00 0.38 0.00 0.00 41.96 42.82 2kw4 s TYR 24 CO -0.03 -0.45 0.39 0.00 -1.52 0.00 0.00 175.55 173.94 2kw4 s ALA 25 N -0.44 3.51 -0.02 9.51 0.00 -1.26 -4.72 121.76 128.33 2kw4 s ALA 25 Ca -0.04 -1.90 -0.16 0.00 0.00 0.00 0.00 51.96 49.86 2kw4 s ALA 25 Cb -0.02 -3.04 -0.06 0.00 0.00 0.00 0.00 23.12 20.00 2kw4 s ALA 25 CO 0.04 -1.66 0.44 -0.06 0.00 0.00 0.00 175.76 174.52 2kw4 s PHE 26 N 1.79 3.69 -0.23 0.00 0.40 -1.24 -4.76 117.98 117.64 2kw4 s PHE 26 Ca 0.06 1.00 -0.03 0.00 -0.60 0.00 0.00 56.93 57.36 2kw4 s PHE 26 Cb -0.21 -2.37 0.12 0.00 0.51 0.00 0.00 43.02 41.06 2kw4 s PHE 26 CO 0.09 0.53 0.32 0.08 0.70 0.00 0.00 175.22 176.94 2kw4 s VAL 27 N -0.71 -0.50 -0.02 -0.44 1.01 -1.26 -3.03 120.40 115.44 2kw4 s VAL 27 Ca 0.25 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.15 2kw4 s VAL 27 Cb -0.17 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2kw4 s VAL 27 CO 0.13 -0.16 -0.08 -1.59 0.00 0.00 0.00 175.10 173.41 2kw4 s LYS 28 N 2.46 2.60 0.00 2.72 0.00 -0.42 -4.46 119.74 122.64 2kw4 s LYS 28 Ca 0.10 -0.67 0.00 0.00 0.00 0.00 0.00 55.97 55.40 2kw4 s LYS 28 Cb -0.15 -2.51 0.00 0.00 0.00 0.00 0.00 37.83 35.16 2kw4 s LYS 28 CO -0.15 0.62 0.00 -3.47 0.00 0.00 0.00 175.35 172.35 2kw4 n ASP 29 N 1.81 -4.27 0.00 0.03 2.03 0.98 -2.32 116.55 114.81 2kw4 n ASP 29 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2kw4 n ASP 29 Cb 0.53 -1.87 0.00 0.00 -0.72 0.00 0.00 41.12 39.05 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 -1.17 0.69 3.24 0.27 0.00 -1.26 -4.38 105.19 102.59 2kw4 n GLY 30 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.62 0.86 0.19 1.61 -2.85 -0.98 -4.76 119.74 112.19 2kw4 s LYS 31 Ca 0.00 -0.69 -0.33 0.00 -1.00 0.00 0.00 55.97 53.95 2kw4 s LYS 31 Cb 0.00 0.37 -0.13 0.00 -2.06 0.00 0.00 37.83 36.01 2kw4 s LYS 31 CO 0.00 -0.29 1.67 0.28 0.10 0.00 0.00 175.35 177.12 2kw4 n VAL 32 N 0.23 0.01 -0.04 1.79 0.31 -1.26 -1.31 118.33 118.06 2kw4 n VAL 32 Ca -0.17 -0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.10 2kw4 n VAL 32 Cb 0.61 -1.83 -0.02 0.00 -0.91 0.00 0.00 33.84 31.69 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 3.81 0.00 -3.76 3.52 -0.00 -1.17 -4.82 115.22 112.79 2kw4 n HIS 33 Ca 0.16 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.26 2kw4 n HIS 33 Cb 0.33 -0.32 -0.03 0.00 -0.12 0.00 0.00 29.99 29.85 2kw4 n HIS 33 CO 0.00 0.00 0.00 1.52 0.46 0.00 0.00 176.34 178.32 2kw4 s TYR 34 N -2.54 -0.17 -0.30 1.57 1.13 -1.26 -5.07 117.35 110.71 2kw4 s TYR 34 Ca -0.18 -0.20 0.03 0.00 -1.41 0.00 0.00 57.07 55.30 2kw4 s TYR 34 Cb 0.03 0.53 0.20 0.00 -1.10 0.00 0.00 41.96 41.62 2kw4 s TYR 34 CO 0.26 -1.05 0.69 -1.83 -2.51 0.00 0.00 175.55 171.11 2kw4 s GLU 35 N -3.89 0.49 0.00 -3.49 -1.05 -1.26 -3.60 118.70 105.90 2kw4 s GLU 35 Ca 0.10 0.42 0.00 0.00 -0.15 0.00 0.00 54.97 55.34 2kw4 s GLU 35 Cb -0.03 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 2kw4 s GLU 35 CO 0.01 -0.89 0.02 -0.25 0.95 0.00 0.00 175.26 175.09 2kw4 n ASP 36 N 5.29 0.00 -2.10 0.83 8.00 -1.26 -5.07 116.55 122.23 2kw4 n ASP 36 Ca 0.06 0.25 -0.00 0.00 0.71 0.00 0.00 54.79 55.80 2kw4 n ASP 36 Cb 0.55 -0.23 -0.00 0.00 -0.02 0.00 0.00 41.12 41.41 2kw4 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kw4 n ALA 37 N -1.20 -2.34 -3.52 2.24 0.00 -1.26 -5.04 120.51 109.39 2kw4 n ALA 37 Ca 0.00 0.54 -0.07 0.00 0.00 0.00 0.00 53.44 53.91 2kw4 n ALA 37 Cb 0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 2kw4 n ALA 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kw4 n ASP 38 N 1.45 -0.60 -4.76 0.00 8.00 -0.76 -4.98 116.55 114.91 2kw4 n ASP 38 Ca -0.03 -1.94 -0.28 0.00 0.71 0.00 0.00 54.79 53.24 2kw4 n ASP 38 Cb 0.05 1.15 -0.07 0.00 -0.02 0.00 0.00 41.12 42.23 2kw4 n ASP 38 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2kw4 s VAL 39 N -2.62 1.75 0.32 2.53 -7.23 -1.26 -0.85 120.40 113.04 2kw4 s VAL 39 Ca 0.15 -1.81 0.04 0.00 -1.81 0.00 0.00 61.98 58.55 2kw4 s VAL 39 Cb -0.00 -2.56 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 2kw4 s VAL 39 CO 0.11 0.00 0.05 -0.83 -0.31 0.00 0.00 175.10 174.12 2kw4 s GLY 40 N -3.93 2.06 0.00 2.32 0.00 -1.14 -4.95 107.32 101.68 2kw4 s GLY 40 Ca 0.27 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 42.94 2kw4 s GLY 40 CO 0.15 -1.82 0.44 0.28 0.00 0.00 0.00 173.10 172.15 2kw4 n LYS 41 N -0.68 0.39 -1.75 2.90 5.02 -1.26 -4.71 118.16 118.07 2kw4 n LYS 41 Ca -0.02 -0.54 -0.36 0.00 -2.02 0.00 0.00 58.31 55.37 2kw4 n LYS 41 Cb 0.66 -0.68 0.07 0.00 -0.02 0.00 0.00 35.03 35.05 2kw4 n LYS 41 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2kw4 s ASN 42 N -0.19 4.66 -0.00 4.39 -0.87 -1.26 -4.83 114.94 116.83 2kw4 s ASN 42 Ca 0.00 2.55 -0.24 0.00 -1.57 0.00 0.00 52.86 53.59 2kw4 s ASN 42 Cb 0.00 -2.61 -0.19 0.00 -0.02 0.00 0.00 41.25 38.43 2kw4 s ASN 42 CO 0.00 -1.97 1.29 1.55 -2.57 0.00 0.00 177.10 175.40 2kw4 h PRO 43 N 0.50 0.11 -0.79 -0.60 0.13 -1.98 0.16 132.00 129.52 2kw4 h PRO 43 Ca -0.50 -0.06 0.23 0.00 -0.87 0.00 0.00 66.00 64.80 2kw4 h PRO 43 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 2kw4 h PRO 43 CO 0.53 0.57 0.60 0.00 -0.23 0.00 0.00 178.00 179.47 2kw4 h ALA 44 N 0.54 2.72 0.00 -0.56 0.00 -1.99 0.22 119.26 120.18 2kw4 h ALA 44 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kw4 h ALA 44 Cb 0.55 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kw4 h ALA 44 CO 0.01 -1.00 -1.94 0.00 0.00 0.00 0.00 179.25 176.32 2kw4 n ALA 45 N -2.65 2.76 0.15 0.00 0.00 -1.17 -4.18 120.51 115.42 2kw4 n ALA 45 Ca 0.16 -0.52 0.05 0.00 0.00 0.00 0.00 53.44 53.14 2kw4 n ALA 45 Cb 0.89 -0.76 0.23 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.26 2.98 -0.15 0.00 0.00 0.64 -3.67 120.51 118.04 2kw4 n ALA 46 Ca -0.04 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2kw4 n ALA 46 Cb 0.58 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 0.55 0.00 -1.48 0.00 5.66 -0.46 -4.67 114.28 113.88 2kw4 n THR 47 Ca 0.16 -0.42 0.07 0.00 -3.05 0.00 0.00 64.05 60.81 2kw4 n THR 47 Cb 0.64 1.15 0.18 0.00 -1.55 0.00 0.00 70.33 70.75 2kw4 n THR 47 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2kw4 n MET 48 N -0.07 1.39 0.00 1.09 2.81 -1.24 -5.04 117.12 116.06 2kw4 n MET 48 Ca 0.00 -2.98 0.00 0.00 -1.81 0.00 0.00 57.70 52.91 2kw4 n MET 48 Cb 0.04 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 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 -1.13 0.00 -0.39 0.03 1.74 -1.26 -1.08 116.66 114.57 2kw4 n ARG 49 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2kw4 n ARG 49 Cb 0.69 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.13 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 2.38 0.00 0.01 0.55 0.23 -1.26 -3.97 115.26 113.21 2kw4 n ASN 50 Ca 0.00 -1.31 -0.14 0.00 -0.53 0.00 0.00 54.58 52.59 2kw4 n ASN 50 Cb 0.00 -0.06 -0.03 0.00 -2.08 0.00 0.00 39.78 37.61 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 5.19 1.32 -0.00 3.53 2.07 -1.43 -2.79 116.25 124.13 2kw4 h VAL 51 Ca 0.00 -2.08 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 2kw4 h VAL 51 Cb 1.13 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2kw4 h VAL 51 CO 0.00 0.64 -0.14 0.00 0.02 0.00 0.00 177.57 178.09 2kw4 h ALA 52 N 0.71 0.02 -0.94 1.67 0.00 -1.85 -3.26 119.26 115.61 2kw4 h ALA 52 Ca -0.05 -0.43 0.11 0.00 0.00 0.00 0.00 54.91 54.54 2kw4 h ALA 52 Cb 1.39 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 2kw4 h ALA 52 CO 0.15 -0.00 0.58 0.78 0.00 0.00 0.00 179.25 180.75 2kw4 h GLY 53 N -0.62 1.51 0.50 0.00 0.00 -1.83 0.27 103.07 102.91 2kw4 h GLY 53 Ca -0.02 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 46.95 2kw4 h GLY 53 CO 0.03 0.16 -0.25 0.83 0.00 0.00 0.00 176.54 177.31 2kw4 h GLU 54 N 0.94 -0.40 -0.06 4.80 5.08 -1.58 -2.28 114.58 121.08 2kw4 h GLU 54 Ca 0.46 0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.73 2kw4 h GLU 54 Cb 0.42 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2kw4 h GLU 54 CO -0.25 -0.27 -0.51 0.82 -1.00 0.00 0.00 179.01 177.80 2kw4 h ILE 55 N -0.42 1.36 -1.13 3.13 2.04 -1.49 -1.59 117.51 119.41 2kw4 h ILE 55 Ca 0.04 -1.76 0.32 0.00 1.00 0.00 0.00 64.86 64.46 2kw4 h ILE 55 Cb 0.47 1.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.37 2kw4 h ILE 55 CO -0.18 0.52 0.79 0.00 0.00 0.00 0.00 178.15 179.28 2kw4 h ALA 56 N 1.35 2.86 0.24 1.87 0.00 0.12 -0.39 119.26 125.31 2kw4 h ALA 56 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kw4 h ALA 56 Cb 0.95 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2kw4 h ALA 56 CO 0.07 -1.22 -0.20 0.00 0.00 0.00 0.00 179.25 177.90 2kw4 h ALA 57 N 1.48 -0.44 -0.78 0.00 0.00 -1.41 -2.58 119.26 115.52 2kw4 h ALA 57 Ca 0.57 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.54 2kw4 h ALA 57 Cb 2.04 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 20.02 2kw4 h ALA 57 CO -0.09 -0.77 0.37 0.00 0.00 0.00 0.00 179.25 178.76 2kw4 h ALA 58 N 0.25 1.13 0.08 0.00 0.00 -1.26 0.21 119.26 119.67 2kw4 h ALA 58 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kw4 h ALA 58 Cb 0.42 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kw4 h ALA 58 CO -0.03 -0.11 -0.16 -0.07 0.00 0.00 0.00 179.25 178.88 2kw4 h LEU 59 N 0.56 -0.47 -1.65 0.00 3.38 -1.36 -0.59 115.31 115.18 2kw4 h LEU 59 Ca 0.42 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.48 2kw4 h LEU 59 Cb 0.57 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2kw4 h LEU 59 CO -0.35 -0.18 0.31 1.88 0.09 0.00 0.00 178.44 180.18 2kw4 h TYR 60 N -0.26 0.44 -0.84 1.13 0.05 -1.26 -1.27 116.97 114.95 2kw4 h TYR 60 Ca -0.01 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.83 2kw4 h TYR 60 Cb 0.25 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.79 2kw4 h TYR 60 CO -0.26 0.25 0.55 0.00 -1.05 0.00 0.00 178.16 177.65 2kw4 h ALA 61 N 1.74 1.51 0.04 3.88 0.00 -0.02 -1.71 119.26 124.70 2kw4 h ALA 61 Ca 0.19 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2kw4 h ALA 61 Cb 0.21 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kw4 h ALA 61 CO -0.05 0.40 -0.57 0.28 0.00 0.00 0.00 179.25 179.31 2kw4 h VAL 62 N 1.02 1.49 -0.40 0.00 2.07 0.02 -2.43 116.25 118.01 2kw4 h VAL 62 Ca 0.34 -2.19 0.08 0.00 0.82 0.00 0.00 66.70 65.76 2kw4 h VAL 62 Cb 0.08 2.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.59 2kw4 h VAL 62 CO -0.11 0.62 -0.12 0.11 0.02 0.00 0.00 177.57 178.10 2kw4 h LYS 63 N -0.28 -0.02 0.00 1.57 1.57 -1.09 -0.14 116.57 118.17 2kw4 h LYS 63 Ca -0.08 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 2kw4 h LYS 63 Cb 1.33 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 2kw4 h LYS 63 CO 0.11 -0.02 -0.43 0.87 -0.57 0.00 0.00 179.45 179.41 2kw4 h LYS 64 N -0.02 0.00 -0.75 3.15 6.56 -1.43 -2.99 116.57 121.09 2kw4 h LYS 64 Ca 0.19 0.00 0.20 0.00 -1.06 0.00 0.00 60.65 59.98 2kw4 h LYS 64 Cb 0.32 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.94 2kw4 h LYS 64 CO -0.42 0.43 0.52 0.00 -2.06 0.00 0.00 179.45 177.92 2kw4 h ALA 65 N 1.57 2.53 0.00 3.86 0.00 -0.50 0.26 119.26 126.98 2kw4 h ALA 65 Ca -0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2kw4 h ALA 65 Cb 0.88 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2kw4 h ALA 65 CO 0.06 -0.75 -0.82 1.03 0.00 0.00 0.00 179.25 178.77 2kw4 h SER 66 N 0.12 0.02 0.19 0.00 0.87 -1.37 -1.13 113.55 112.24 2kw4 h SER 66 Ca 0.36 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 2kw4 h SER 66 Cb 1.26 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2kw4 h SER 66 CO -0.05 0.83 -0.17 1.56 -0.53 0.00 0.00 176.83 178.48 2kw4 h GLN 67 N 0.01 0.00 0.00 2.24 4.20 -0.60 -2.34 115.11 118.62 2kw4 h GLN 67 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2kw4 h GLN 67 Cb 1.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.23 2kw4 h GLN 67 CO 0.11 0.17 -0.92 1.28 -0.67 0.00 0.00 178.83 178.79 2kw4 n LEU 68 N -4.25 0.83 -0.71 1.46 4.32 -1.12 -4.98 117.00 112.56 2kw4 n LEU 68 Ca -0.02 -0.47 -0.08 0.00 -0.02 0.00 0.00 56.01 55.41 2kw4 n LEU 68 Cb 0.24 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.01 2kw4 n LEU 68 CO 0.35 0.21 -0.09 0.61 -1.22 0.00 0.00 177.39 177.25 2kw4 n GLY 69 N 1.43 0.83 3.64 -0.72 0.00 -0.55 -4.27 105.19 105.55 2kw4 n GLY 69 Ca 0.03 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 2kw4 n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kw4 s VAL 70 N -2.33 3.29 0.00 1.61 -7.23 -0.54 -4.91 120.40 110.29 2kw4 s VAL 70 Ca 0.00 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 2kw4 s VAL 70 Cb 0.00 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 34.12 2kw4 s VAL 70 CO 0.00 -0.35 0.00 0.29 -0.31 0.00 0.00 175.10 174.73 2kw4 n LYS 71 N -0.91 1.47 -4.13 4.82 4.01 -1.26 -4.43 118.16 117.73 2kw4 n LYS 71 Ca -0.06 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.65 2kw4 n LYS 71 Cb 0.59 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.01 2kw4 n LYS 71 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 2kw4 s ILE 72 N 0.22 0.48 0.03 -0.18 -4.36 -1.26 -5.03 121.20 111.10 2kw4 s ILE 72 Ca 0.00 -1.86 -0.34 0.00 -0.26 0.00 0.00 60.65 58.19 2kw4 s ILE 72 Cb 0.00 -1.59 -0.12 0.00 1.25 0.00 0.00 42.46 42.00 2kw4 s ILE 72 CO 0.00 -0.92 1.78 0.54 0.24 0.00 0.00 174.94 176.58 2kw4 n ARG 73 N 0.06 2.27 -2.93 0.37 3.00 -1.26 -4.82 116.66 113.34 2kw4 n ARG 73 Ca -0.13 0.83 -0.08 0.00 -0.01 0.00 0.00 57.85 58.45 2kw4 n ARG 73 Cb 0.61 -2.65 -0.01 0.00 0.00 0.00 0.00 32.46 30.40 2kw4 n ARG 73 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2kw4 n ILE 74 N 4.52 0.00 -2.08 0.55 -6.64 -1.26 -4.85 119.36 109.60 2kw4 n ILE 74 Ca 0.20 -0.97 -0.00 0.00 -1.77 0.00 0.00 62.75 60.21 2kw4 n ILE 74 Cb 0.31 0.63 -0.00 0.00 -1.44 0.00 0.00 39.64 39.14 2kw4 n ILE 74 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 2kw4 n LEU 75 N 0.00 -5.64 -1.30 7.28 0.00 -1.26 -4.39 117.00 111.69 2kw4 n LEU 75 Ca -0.01 2.22 -0.17 0.00 0.00 0.00 0.00 56.01 58.06 2kw4 n LEU 75 Cb 0.35 -2.77 -0.07 0.00 0.00 0.00 0.00 43.42 40.92 2kw4 n LEU 75 CO 0.17 -2.35 -0.16 1.57 0.00 0.00 0.00 177.39 176.61 2kw4 n HIS 76 N 1.44 0.00 -1.82 1.96 -0.00 -1.26 -4.92 115.22 110.62 2kw4 n HIS 76 Ca -0.02 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.74 2kw4 n HIS 76 Cb 0.03 -2.94 -0.03 0.00 -0.12 0.00 0.00 29.99 26.93 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 -2.80 6.45 0.00 0.26 2.15 -1.26 -4.87 116.67 116.60 2kw4 s ASP 77 Ca 0.00 2.81 0.26 0.00 0.43 0.00 0.00 52.55 56.05 2kw4 s ASP 77 Cb 0.00 -2.61 1.38 0.00 -0.30 0.00 0.00 42.92 41.39 2kw4 s ASP 77 CO 0.00 -0.90 1.90 -1.22 -0.17 0.00 0.00 175.17 174.78 2kw4 n TYR 78 N 3.42 0.00 -0.78 -5.34 4.02 -1.26 -4.39 117.16 112.82 2kw4 n TYR 78 Ca 0.13 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.69 2kw4 n TYR 78 Cb 0.37 -0.23 0.13 0.00 -0.02 0.00 0.00 39.34 39.59 2kw4 n TYR 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kw4 n ALA 79 N -1.23 -3.35 0.28 -0.72 0.00 -1.26 -4.81 120.51 109.42 2kw4 n ALA 79 Ca 0.14 -0.82 0.11 0.00 0.00 0.00 0.00 53.44 52.86 2kw4 n ALA 79 Cb 0.18 -1.64 0.49 0.00 0.00 0.00 0.00 19.45 18.49 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 1.86 -1.05 0.14 0.00 0.00 -0.48 -2.55 105.19 103.10 2kw4 n GLY 80 Ca 0.04 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 1.33 0.00 -0.61 1.08 -1.87 -2.83 117.51 114.60 2kw4 h ILE 81 Ca 0.00 -1.21 0.00 0.00 -0.39 0.00 0.00 64.86 63.26 2kw4 h ILE 81 Cb 0.19 1.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 2kw4 h ILE 81 CO 0.00 0.36 0.00 0.00 -0.69 0.00 0.00 178.15 177.82 2kw4 n ALA 82 N -2.40 1.90 -0.02 1.87 0.00 -1.06 -1.53 120.51 119.27 2kw4 n ALA 82 Ca -0.06 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 2kw4 n ALA 82 Cb 0.34 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 2kw4 n ALA 82 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2kw4 h PHE 83 N 0.00 -0.07 0.00 0.00 0.04 -1.49 -3.34 116.94 112.07 2kw4 h PHE 83 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kw4 h PHE 83 Cb 0.36 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2kw4 h PHE 83 CO 0.00 0.35 -0.02 0.11 -0.60 0.00 0.00 178.31 178.16 2kw4 h TRP 84 N -0.97 0.00 -0.24 -0.55 0.09 -1.55 -3.25 115.95 109.48 2kw4 h TRP 84 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 58.89 59.04 2kw4 h TRP 84 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.69 2kw4 h TRP 84 CO 0.11 0.00 0.33 0.00 0.09 0.00 0.00 178.44 178.97 2kw4 h ALA 85 N 2.26 1.82 0.00 0.11 0.00 -1.40 0.25 119.26 122.30 2kw4 h ALA 85 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kw4 h ALA 85 Cb 0.87 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2kw4 h ALA 85 CO 0.00 -0.45 0.00 1.79 0.00 0.00 0.00 179.25 180.59 2kw4 h THR 86 N 0.00 0.00 0.00 0.00 1.35 -1.73 -3.34 112.91 109.19 2kw4 h THR 86 Ca 0.11 -0.14 -0.62 0.00 -0.55 0.00 0.00 66.41 65.21 2kw4 h THR 86 Cb 0.78 0.87 0.01 0.00 -1.73 0.00 0.00 68.15 68.07 2kw4 h THR 86 CO -0.00 0.00 3.13 0.61 -0.25 0.00 0.00 175.52 179.01 2kw4 n GLY 87 N -0.68 3.80 0.38 5.82 0.00 0.88 -4.67 105.19 110.72 2kw4 n GLY 87 Ca -0.00 -1.36 0.16 0.00 0.00 0.00 0.00 46.02 44.81 2kw4 n GLY 87 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kw4 h GLU 88 N 6.05 0.56 -6.17 1.61 4.81 -1.82 -3.38 114.58 116.24 2kw4 h GLU 88 Ca 0.63 -0.03 -0.57 0.00 -0.13 0.00 0.00 59.36 59.26 2kw4 h GLU 88 Cb 0.43 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 2kw4 h GLU 88 CO 1.78 0.37 0.89 -1.58 -0.73 0.00 0.00 179.01 179.74 2kw4 s TRP 89 N -5.62 2.96 -0.87 0.92 0.52 -1.26 -4.81 118.94 110.78 2kw4 s TRP 89 Ca -0.10 1.11 -0.25 0.00 0.02 0.00 0.00 56.10 56.88 2kw4 s TRP 89 Cb 0.23 -3.53 -0.08 0.00 -1.15 0.00 0.00 33.47 28.95 2kw4 s TRP 89 CO 0.79 -1.35 2.09 -1.59 0.02 0.00 0.00 176.95 176.92 2kw4 s LYS 90 N 3.55 2.26 -0.08 4.98 -2.85 -1.26 -4.64 119.74 121.69 2kw4 s LYS 90 Ca 0.52 -0.05 -0.26 0.00 -1.00 0.00 0.00 55.97 55.18 2kw4 s LYS 90 Cb -0.19 -4.97 -0.24 0.00 -2.06 0.00 0.00 37.83 30.37 2kw4 s LYS 90 CO 0.14 -3.71 0.96 0.00 0.10 0.00 0.00 175.35 172.84 2kw4 h ALA 91 N 11.74 0.01 0.00 0.59 0.00 -1.85 -3.40 119.26 126.34 2kw4 h ALA 91 Ca 0.07 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2kw4 h ALA 91 Cb 1.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2kw4 h ALA 91 CO 1.15 0.01 -0.99 1.63 0.00 0.00 0.00 179.25 181.05 2kw4 n LYS 92 N -4.59 0.52 -3.90 0.00 5.02 -1.26 -4.97 118.16 108.98 2kw4 n LYS 92 Ca -0.10 0.54 -0.28 0.00 -2.02 0.00 0.00 58.31 56.45 2kw4 n LYS 92 Cb 0.47 -1.71 0.01 0.00 -0.02 0.00 0.00 35.03 33.78 2kw4 n LYS 92 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2kw4 n ASN 93 N -4.50 -2.82 0.00 4.39 2.85 -1.26 -4.91 115.26 109.00 2kw4 n ASN 93 Ca -0.22 -0.86 0.00 0.00 -0.11 0.00 0.00 54.58 53.39 2kw4 n ASN 93 Cb 0.51 -3.64 0.00 0.00 1.24 0.00 0.00 39.78 37.89 2kw4 n ASN 93 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2kw4 n GLU 94 N -4.48 0.00 0.00 1.20 -0.58 -1.26 -4.92 120.64 110.60 2kw4 n GLU 94 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2kw4 n GLU 94 Cb 0.59 -0.25 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 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 -2.05 0.00 -0.21 -0.32 -0.00 -1.26 -4.77 117.46 108.85 2kw4 n PHE 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2kw4 n PHE 95 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 39.48 39.59 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 0.77 -0.85 -2.13 2.02 -1.93 -1.36 112.91 109.42 2kw4 h THR 96 Ca 0.00 -0.14 0.18 0.00 0.77 0.00 0.00 66.41 67.22 2kw4 h THR 96 Cb 0.84 0.31 -0.11 0.00 -1.74 0.00 0.00 68.15 67.46 2kw4 h THR 96 CO 0.00 0.08 0.37 -0.61 0.37 0.00 0.00 175.52 175.73 2kw4 h GLN 97 N 0.42 0.45 -1.04 6.66 -0.00 -1.86 0.25 115.11 119.99 2kw4 h GLN 97 Ca 0.31 -0.03 0.29 0.00 -0.00 0.00 0.00 58.65 59.22 2kw4 h GLN 97 Cb 0.39 -0.10 -0.05 0.00 0.00 0.00 0.00 27.48 27.71 2kw4 h GLN 97 CO -0.31 0.30 0.72 0.00 0.00 0.00 0.00 178.83 179.55 2kw4 h ALA 98 N 1.63 2.78 -0.00 3.38 0.00 -1.54 -1.11 119.26 124.39 2kw4 h ALA 98 Ca 0.49 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.42 2kw4 h ALA 98 Cb 0.83 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2kw4 h ALA 98 CO -0.45 -1.10 -0.29 -0.92 0.00 0.00 0.00 179.25 176.49 2kw4 h TYR 99 N 0.11 -0.80 -0.56 0.00 3.20 -0.57 0.26 116.97 118.61 2kw4 h TYR 99 Ca 0.52 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.55 2kw4 h TYR 99 Cb 1.84 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 40.43 2kw4 h TYR 99 CO -0.00 -0.39 0.39 0.00 -1.64 0.00 0.00 178.16 176.52 2kw4 h ALA 100 N 0.33 2.30 -0.01 1.82 0.00 -1.32 0.28 119.26 122.66 2kw4 h ALA 100 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2kw4 h ALA 100 Cb 0.53 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kw4 h ALA 100 CO -0.25 -0.45 -0.44 0.87 0.00 0.00 0.00 179.25 178.98 2kw4 h LYS 101 N 0.17 0.32 0.00 0.00 1.79 -1.08 -3.21 116.57 114.56 2kw4 h LYS 101 Ca 0.27 -0.33 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2kw4 h LYS 101 Cb 0.83 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2kw4 h LYS 101 CO -0.04 1.02 -0.11 -0.07 -1.08 0.00 0.00 179.45 179.17 2kw4 h LEU 102 N -0.25 0.00 0.07 2.94 3.38 0.37 -3.22 115.31 118.60 2kw4 h LEU 102 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kw4 h LEU 102 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2kw4 h LEU 102 CO 0.09 0.11 -0.13 -0.03 0.09 0.00 0.00 178.44 178.57 2kw4 h MET 103 N 0.00 -0.21 -0.72 1.13 4.05 -0.98 -1.90 114.93 116.31 2kw4 h MET 103 Ca -0.00 0.01 0.20 0.00 -0.28 0.00 0.00 59.70 59.63 2kw4 h MET 103 Cb 0.38 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 2kw4 h MET 103 CO 0.01 -0.14 0.51 -0.97 0.23 0.00 0.00 176.91 176.55 2kw4 h ASN 104 N -0.22 0.08 -0.85 1.39 -1.24 -1.69 0.29 115.58 113.34 2kw4 h ASN 104 Ca -0.01 0.01 0.18 0.00 0.71 0.00 0.00 56.30 57.19 2kw4 h ASN 104 Cb 0.20 -0.01 -0.11 0.00 0.73 0.00 0.00 38.32 39.13 2kw4 h ASN 104 CO -0.05 0.04 0.38 -0.61 -1.29 0.00 0.00 177.43 175.90 2kw4 h GLN 105 N 0.08 0.46 -0.50 6.67 -0.00 -1.36 -3.05 115.11 117.41 2kw4 h GLN 105 Ca 0.35 -0.03 -0.28 0.00 -0.00 0.00 0.00 58.65 58.69 2kw4 h GLN 105 Cb 1.26 -0.10 -0.40 0.00 0.00 0.00 0.00 27.48 28.23 2kw4 h GLN 105 CO -0.03 0.30 -1.09 2.48 0.00 0.00 0.00 178.83 180.49 2kw4 n TYR 106 N -4.99 1.41 1.83 3.99 0.18 -0.33 -4.85 117.16 114.41 2kw4 n TYR 106 Ca 0.19 -2.19 0.07 0.00 1.88 0.00 0.00 57.90 57.85 2kw4 n TYR 106 Cb 0.54 -0.25 0.34 0.00 -0.38 0.00 0.00 39.34 39.59 2kw4 n TYR 106 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67 2kw4 n ARG 107 N -0.58 1.14 0.00 -3.48 -4.01 0.87 -3.67 116.66 106.93 2kw4 n ARG 107 Ca 0.11 -0.22 0.09 0.00 -1.04 0.00 0.00 57.85 56.79 2kw4 n ARG 107 Cb 0.82 -1.22 0.45 0.00 -3.04 0.00 0.00 32.46 29.47 2kw4 n ARG 107 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kw4 n GLY 108 N 0.77 -0.94 0.06 2.89 0.00 -1.26 -3.47 105.19 103.23 2kw4 n GLY 108 Ca 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.33 0.29 -4.70 -0.61 -0.00 -1.24 -5.08 119.36 106.69 2kw4 n ILE 109 Ca 0.08 -0.11 -0.31 0.00 -0.00 0.00 0.00 62.75 62.41 2kw4 n ILE 109 Cb 0.16 -0.72 -0.08 0.00 -0.00 0.00 0.00 39.64 39.00 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 -2.10 1.91 0.04 4.28 1.13 -1.23 -4.47 117.35 116.92 2kw4 s TYR 110 Ca -0.07 -0.99 -0.06 0.00 -1.41 0.00 0.00 57.07 54.54 2kw4 s TYR 110 Cb 0.02 -1.54 -0.01 0.00 -1.10 0.00 0.00 41.96 39.33 2kw4 s TYR 110 CO 0.12 0.15 0.12 -1.12 -2.51 0.00 0.00 175.55 172.30 2kw4 s SER 111 N -3.81 0.16 -0.29 -0.18 0.01 -1.26 -4.58 113.70 103.75 2kw4 s SER 111 Ca 0.12 -0.54 -0.15 0.00 1.31 0.00 0.00 55.95 56.68 2kw4 s SER 111 Cb 0.03 0.25 0.15 0.00 0.21 0.00 0.00 66.02 66.66 2kw4 s SER 111 CO 0.06 -0.55 0.96 -0.36 0.41 0.00 0.00 173.24 173.76 2kw4 s PHE 112 N -2.81 -0.68 1.17 2.43 0.08 -1.26 -4.41 117.98 112.51 2kw4 s PHE 112 Ca -0.03 1.25 -0.18 0.00 0.12 0.00 0.00 56.93 58.09 2kw4 s PHE 112 Cb 0.00 0.41 0.29 0.00 -0.57 0.00 0.00 43.02 43.14 2kw4 s PHE 112 CO -0.05 -0.34 0.64 0.39 -0.10 0.00 0.00 175.22 175.76 2kw4 n GLU 113 N 4.41 -3.49 -1.59 0.44 1.02 -1.26 -4.82 120.64 115.37 2kw4 n GLU 113 Ca -0.14 -1.08 -0.48 0.00 -0.02 0.00 0.00 57.16 55.44 2kw4 n GLU 113 Cb 0.55 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 2kw4 n GLU 113 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2kw4 n LYS 114 N -4.05 1.25 0.05 3.49 3.00 -1.26 -4.91 118.16 115.74 2kw4 n LYS 114 Ca 0.10 0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 2kw4 n LYS 114 Cb 0.45 -1.93 0.00 0.00 0.00 0.00 0.00 35.03 33.55 2kw4 n LYS 114 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2kw4 n VAL 115 N 1.30 1.02 -3.65 3.15 0.24 -1.26 -4.53 118.33 114.61 2kw4 n VAL 115 Ca 0.14 0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.78 2kw4 n VAL 115 Cb 0.26 -1.53 0.00 0.00 -1.47 0.00 0.00 33.84 31.11 2kw4 n VAL 115 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2kw4 n LYS 116 N -3.43 0.00 -4.00 7.34 4.76 -1.26 -4.24 118.16 117.33 2kw4 n LYS 116 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 2kw4 n LYS 116 Cb 0.06 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.20 2kw4 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kw4 s ALA 117 N -1.73 3.62 0.00 7.82 0.00 -1.26 -4.31 121.76 125.91 2kw4 s ALA 117 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.21 2kw4 s ALA 117 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2kw4 s ALA 117 CO 0.00 0.03 0.00 1.58 0.00 0.00 0.00 175.76 177.37 2kw4 n HIS 118 N -1.23 -0.68 -1.34 0.00 -0.00 -1.26 -3.69 115.22 107.03 2kw4 n HIS 118 Ca -0.03 0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2kw4 n HIS 118 Cb 0.61 0.16 0.00 0.00 -0.12 0.00 0.00 29.99 30.64 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 -1.88 0.00 -4.17 0.26 3.41 -1.26 -4.06 113.62 105.92 2kw4 n SER 119 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 2kw4 n SER 119 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2kw4 n SER 119 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2kw4 s GLY 120 N 0.00 0.84 0.00 5.00 0.00 -1.26 -4.89 107.32 107.01 2kw4 s GLY 120 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.66 2kw4 s GLY 120 CO 0.00 -1.10 0.00 0.70 0.00 0.00 0.00 173.10 172.70 2kw4 n ASN 121 N 1.02 0.00 0.00 1.64 3.02 -1.26 -5.01 115.26 114.67 2kw4 n ASN 121 Ca -0.19 -0.68 0.10 0.00 -0.03 0.00 0.00 54.58 53.77 2kw4 n ASN 121 Cb 0.55 0.00 0.49 0.00 -0.61 0.00 0.00 39.78 40.22 2kw4 n ASN 121 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2kw4 n GLU 122 N 0.00 0.22 -0.21 3.52 0.28 -1.26 -3.41 120.64 119.78 2kw4 n GLU 122 Ca 0.00 0.11 0.29 0.00 -0.16 0.00 0.00 57.16 57.40 2kw4 n GLU 122 Cb 0.00 -1.50 0.71 0.00 1.43 0.00 0.00 31.44 32.08 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 0.06 -0.11 -1.84 0.04 -1.95 0.26 116.94 113.40 2kw4 h PHE 123 Ca 0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 2kw4 h PHE 123 Cb 0.23 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.37 2kw4 h PHE 123 CO 0.00 0.01 -0.83 -2.95 -0.60 0.00 0.00 178.31 173.94 2kw4 h ASN 124 N 0.04 0.84 -0.19 2.17 -1.07 -1.81 -1.26 115.58 114.30 2kw4 h ASN 124 Ca 0.46 -0.57 0.05 0.00 0.07 0.00 0.00 56.30 56.31 2kw4 h ASN 124 Cb 1.77 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 37.76 2kw4 h ASN 124 CO -0.03 1.36 0.30 0.44 0.07 0.00 0.00 177.43 179.58 2kw4 h ASP 125 N 0.45 0.00 -0.95 6.14 5.19 -0.63 -1.10 116.42 125.52 2kw4 h ASP 125 Ca -0.06 0.00 0.18 0.00 -0.62 0.00 0.00 57.03 56.53 2kw4 h ASP 125 Cb 1.45 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.88 2kw4 h ASP 125 CO 0.16 0.00 0.61 0.22 -3.12 0.00 0.00 179.24 177.11 2kw4 h TYR 126 N 0.00 0.85 -0.03 4.55 5.03 -1.44 0.38 116.97 126.32 2kw4 h TYR 126 Ca 0.09 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.43 2kw4 h TYR 126 Cb 0.69 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.71 2kw4 h TYR 126 CO 0.00 0.24 0.11 -0.39 -1.32 0.00 0.00 178.16 176.80 2kw4 h VAL 127 N 0.65 0.12 0.30 1.81 -1.51 -1.41 -1.93 116.25 114.28 2kw4 h VAL 127 Ca 0.51 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.97 2kw4 h VAL 127 Cb 0.93 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 2kw4 h VAL 127 CO -0.27 0.00 -0.14 0.44 -1.23 0.00 0.00 177.57 176.37 2kw4 h ASP 128 N 0.00 -0.34 -0.06 4.19 3.32 -0.41 0.31 116.42 123.44 2kw4 h ASP 128 Ca 0.01 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.80 2kw4 h ASP 128 Cb 0.23 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2kw4 h ASP 128 CO -0.00 -0.14 -0.66 -0.03 -1.72 0.00 0.00 179.24 176.69 2kw4 h MET 129 N -0.53 0.68 0.27 3.56 4.05 -1.53 -2.99 114.93 118.44 2kw4 h MET 129 Ca -0.04 -0.49 -0.01 0.00 -0.28 0.00 0.00 59.70 58.87 2kw4 h MET 129 Cb 0.39 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 2kw4 h MET 129 CO 0.07 1.11 -0.13 -0.22 0.23 0.00 0.00 176.91 177.97 2kw4 h LYS 130 N 0.49 -0.35 -0.77 0.39 3.11 -1.34 -2.84 116.57 115.25 2kw4 h LYS 130 Ca -0.02 0.02 0.17 0.00 -2.81 0.00 0.00 60.65 58.02 2kw4 h LYS 130 Cb 1.26 0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 32.52 2kw4 h LYS 130 CO 0.13 -0.10 0.52 0.00 -2.81 0.00 0.00 179.45 177.19 2kw4 h ALA 131 N 0.11 2.25 -0.75 5.00 0.00 -0.45 0.65 119.26 126.06 2kw4 h ALA 131 Ca -0.04 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.09 2kw4 h ALA 131 Cb 0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2kw4 h ALA 131 CO 0.06 -0.47 0.56 -0.22 0.00 0.00 0.00 179.25 179.18 2kw4 h LYS 132 N 0.32 0.00 0.05 0.00 3.64 -1.34 0.25 116.57 119.50 2kw4 h LYS 132 Ca 0.38 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.53 2kw4 h LYS 132 Cb 1.02 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2kw4 h LYS 132 CO -0.11 0.00 -1.05 0.77 -2.27 0.00 0.00 179.45 176.79 2kw4 h SER 133 N 0.00 0.41 0.10 4.20 0.02 -0.95 -2.95 113.55 114.38 2kw4 h SER 133 Ca 0.36 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2kw4 h SER 133 Cb 1.48 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 2kw4 h SER 133 CO -0.00 1.23 -0.10 0.00 -1.14 0.00 0.00 176.83 176.81 2kw4 h ALA 134 N 0.73 1.83 0.16 3.77 0.00 -0.55 -2.78 119.26 122.42 2kw4 h ALA 134 Ca -0.09 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 2kw4 h ALA 134 Cb 1.73 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.53 2kw4 h ALA 134 CO 0.17 0.12 -0.90 -0.07 0.00 0.00 0.00 179.25 178.58 2kw4 h LEU 135 N 0.00 0.52 0.00 0.00 3.38 -1.49 -3.49 115.31 114.23 2kw4 h LEU 135 Ca -0.00 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.02 2kw4 h LEU 135 Cb 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kw4 h LEU 135 CO 0.01 1.43 0.00 0.61 0.09 0.00 0.00 178.44 180.59 2kw4 n GLY 136 N 1.68 1.16 3.76 0.83 0.00 -1.05 -5.10 105.19 106.47 2kw4 n GLY 136 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2kw4 n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kw4 s ILE 137 N -2.00 2.74 0.35 -0.61 -1.09 -1.18 -5.05 121.20 114.36 2kw4 s ILE 137 Ca 0.00 0.45 0.09 0.00 -2.23 0.00 0.00 60.65 58.96 2kw4 s ILE 137 Cb 0.00 -3.17 -0.06 0.00 -1.58 0.00 0.00 42.46 37.65 2kw4 s ILE 137 CO 0.00 -0.11 -0.04 0.00 -1.23 0.00 0.00 174.94 173.56 2kw4 s ARG 138 N -3.36 1.93 -0.30 2.79 3.03 -1.26 -5.00 118.95 116.78 2kw4 s ARG 138 Ca 0.76 -1.88 -0.19 0.00 2.03 0.00 0.00 55.73 56.44 2kw4 s ARG 138 Cb -0.29 -1.79 0.20 0.00 -1.03 0.00 0.00 34.95 32.05 2kw4 s ARG 138 CO 0.32 0.11 1.30 0.34 -1.13 0.00 0.00 175.30 176.25 2kw4 s ASP 139 N -3.66 -0.04 0.62 -2.89 2.15 -1.26 -5.15 116.67 106.43 2kw4 s ASP 139 Ca 0.34 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.38 2kw4 s ASP 139 Cb 0.02 1.05 0.00 0.00 -0.30 0.00 0.00 42.92 43.69 2kw4 s ASP 139 CO 0.18 -0.01 0.00 -0.11 -0.17 0.00 0.00 175.17 175.06 2kw4 n LEU 140 N 4.45 0.00 0.04 -1.34 0.00 -1.26 -4.38 117.00 114.50 2kw4 n LEU 140 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 56.01 55.73 2kw4 n LEU 140 Cb 0.56 -0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.83 2kw4 n LEU 140 CO -0.04 -0.93 -0.28 -0.33 0.00 0.00 0.00 177.39 175.80 2kw4 h GLU 141 N 0.00 0.29 -1.58 1.96 5.08 -2.07 -3.50 114.58 114.78 2kw4 h GLU 141 Ca 0.00 -0.50 0.34 0.00 -1.00 0.00 0.00 59.36 58.20 2kw4 h GLU 141 Cb 0.00 0.19 -0.11 0.00 0.50 0.00 0.00 28.75 29.33 2kw4 h GLU 141 CO 0.00 1.24 0.87 -3.38 -1.00 0.00 0.00 179.01 176.74 2kw4 s HIS 142 N -2.48 -0.02 -0.15 4.33 -3.43 -1.26 -5.19 115.29 107.09 2kw4 s HIS 142 Ca -0.17 -0.08 -0.34 0.00 -0.80 0.00 0.00 55.06 53.67 2kw4 s HIS 142 Cb 0.03 0.54 0.14 0.00 -1.43 0.00 0.00 32.58 31.87 2kw4 s HIS 142 CO 0.80 -0.24 1.32 -1.01 -2.00 0.00 0.00 174.74 173.61 2kw4 s HIS 143 N -2.26 -0.05 -0.27 0.38 3.76 -1.26 -5.17 115.29 110.43 2kw4 s HIS 143 Ca 0.18 0.01 -0.35 0.00 -0.15 0.00 0.00 55.06 54.75 2kw4 s HIS 143 Cb 0.04 0.52 0.16 0.00 1.11 0.00 0.00 32.58 34.41 2kw4 s HIS 143 CO -0.03 -0.14 1.33 -1.58 -0.85 0.00 0.00 174.74 173.47 2kw4 s HIS 144 N -2.25 -0.05 0.21 1.40 2.46 -1.26 -5.19 115.29 110.60 2kw4 s HIS 144 Ca 0.12 0.05 -0.21 0.00 0.47 0.00 0.00 55.06 55.49 2kw4 s HIS 144 Cb 0.02 0.50 0.07 0.00 -0.13 0.00 0.00 32.58 33.05 2kw4 s HIS 144 CO -0.04 -0.07 1.00 -1.58 -2.47 0.00 0.00 174.74 171.58 2kw4 s HIS 145 N -1.85 0.07 0.34 3.88 2.46 -1.26 -5.19 115.29 113.74 2kw4 s HIS 145 Ca 0.10 -0.50 0.01 0.00 0.47 0.00 0.00 55.06 55.14 2kw4 s HIS 145 Cb -0.01 0.72 -0.01 0.00 -0.13 0.00 0.00 32.58 33.15 2kw4 s HIS 145 CO -0.04 -1.00 0.05 0.72 -2.47 0.00 0.00 174.74 171.99 2kw4 n HIS 146 N -0.67 0.50 1.45 3.88 8.25 -1.26 -5.40 115.22 121.98 2kw4 n HIS 146 Ca -0.04 -1.87 0.14 0.00 -0.26 0.00 0.00 57.72 55.69 2kw4 n HIS 146 Cb 0.60 -0.13 0.48 0.00 1.12 0.00 0.00 29.99 32.05 2kw4 n HIS 146 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59