#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw4 s GLN 2 N 0.00 1.93 -0.07 3.49 -0.44 -1.26 -0.40 119.66 122.91 1bw4 s GLN 2 Ca 0.00 -1.14 0.02 0.00 -2.50 0.00 0.00 55.36 51.75 1bw4 s GLN 2 Cb 0.00 -2.71 0.01 0.00 -1.64 0.00 0.00 33.01 28.67 1bw4 s GLN 2 CO 0.00 -0.57 -0.13 0.00 0.50 0.00 0.00 175.29 175.09 1bw4 s ALA 3 N 1.27 1.28 0.30 1.58 0.00 -0.33 -5.02 121.76 120.83 1bw4 s ALA 3 Ca -0.07 -0.43 0.09 0.00 0.00 0.00 0.00 51.96 51.55 1bw4 s ALA 3 Cb -0.19 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1bw4 s ALA 3 CO -0.06 0.12 0.05 -0.80 0.00 0.00 0.00 175.76 175.07 1bw4 s ASN 4 N 0.66 4.57 -0.77 0.00 0.02 -1.26 -0.60 114.94 117.56 1bw4 s ASN 4 Ca -0.15 -0.71 -0.00 0.00 -1.02 0.00 0.00 52.86 50.98 1bw4 s ASN 4 Cb -0.16 -0.79 0.00 0.00 0.02 0.00 0.00 41.25 40.32 1bw4 s ASN 4 CO 0.04 -0.11 0.55 -0.67 0.02 0.00 0.00 177.10 176.93 1bw4 n ASP 5 N -0.98 -4.42 -4.47 -1.22 -0.08 -1.09 -4.93 116.55 99.36 1bw4 n ASP 5 Ca -0.05 -0.92 -0.33 0.00 -1.51 0.00 0.00 54.79 51.98 1bw4 n ASP 5 Cb 0.60 -1.47 -0.13 0.00 2.34 0.00 0.00 41.12 42.46 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1bw4 s VAL 6 N -2.91 3.60 -1.17 5.18 1.01 0.45 -4.93 120.40 121.63 1bw4 s VAL 6 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 1bw4 s VAL 6 Cb -0.00 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.86 1bw4 s VAL 6 CO 0.83 0.52 1.72 -0.13 0.00 0.00 0.00 175.10 178.04 1bw4 s ARG 7 N 0.21 3.47 -0.09 2.72 0.52 -1.26 -2.57 118.95 121.95 1bw4 s ARG 7 Ca -0.04 -1.46 -0.18 0.00 -0.52 0.00 0.00 55.73 53.52 1bw4 s ARG 7 Cb -0.14 -5.39 -0.04 0.00 0.52 0.00 0.00 34.95 29.89 1bw4 s ARG 7 CO 0.04 -2.68 0.48 0.00 0.02 0.00 0.00 175.30 173.15 1bw4 s ALA 8 N 6.26 3.50 0.57 2.13 0.00 -0.66 -4.91 121.76 128.65 1bw4 s ALA 8 Ca 0.56 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 1bw4 s ALA 8 Cb 0.01 -2.62 0.01 0.00 0.00 0.00 0.00 23.12 20.52 1bw4 s ALA 8 CO 0.04 0.07 0.86 0.95 0.00 0.00 0.00 175.76 177.68 1bw4 s THR 9 N 0.35 3.64 -0.23 0.00 -4.23 -1.26 -0.81 115.64 113.09 1bw4 s THR 9 Ca 0.26 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1bw4 s THR 9 Cb -0.16 -3.43 0.10 0.00 1.34 0.00 0.00 72.50 70.35 1bw4 s THR 9 CO 0.11 -0.41 0.18 -0.72 -0.54 0.00 0.00 174.62 173.25 1bw4 s TYR 10 N -2.91 -0.07 -0.15 3.99 1.13 -1.22 -4.56 117.35 113.56 1bw4 s TYR 10 Ca 0.53 -0.24 0.01 0.00 -1.41 0.00 0.00 57.07 55.96 1bw4 s TYR 10 Cb -0.10 -0.58 0.02 0.00 -1.10 0.00 0.00 41.96 40.19 1bw4 s TYR 10 CO 0.43 -0.70 -0.15 -1.58 -2.51 0.00 0.00 175.55 171.04 1bw4 s HIS 11 N 2.24 2.28 -0.48 -3.49 2.46 -1.09 -4.89 115.29 112.33 1bw4 s HIS 11 Ca 0.07 -1.30 -0.08 0.00 0.47 0.00 0.00 55.06 54.22 1bw4 s HIS 11 Cb -0.15 -1.66 0.12 0.00 -0.13 0.00 0.00 32.58 30.76 1bw4 s HIS 11 CO -0.21 -0.69 0.34 1.52 -2.47 0.00 0.00 174.74 173.23 1bw4 s TYR 12 N 1.43 3.45 0.48 3.88 -0.85 -1.25 -1.96 117.35 122.53 1bw4 s TYR 12 Ca 0.05 -1.97 -0.20 0.00 -0.52 0.00 0.00 57.07 54.43 1bw4 s TYR 12 Cb -0.13 -3.47 -0.09 0.00 0.38 0.00 0.00 41.96 38.65 1bw4 s TYR 12 CO -0.11 -0.99 1.03 -0.47 -1.52 0.00 0.00 175.55 173.50 1bw4 s TYR 13 N 1.26 3.02 -0.67 -3.49 5.04 0.41 -4.52 117.35 118.40 1bw4 s TYR 13 Ca 0.07 1.58 0.05 0.00 -2.44 0.00 0.00 57.07 56.33 1bw4 s TYR 13 Cb -0.25 -3.05 0.27 0.00 0.35 0.00 0.00 41.96 39.27 1bw4 s TYR 13 CO -0.01 -0.78 0.85 -2.13 -1.34 0.00 0.00 175.55 172.13 1bw4 n ARG 14 N -0.92 2.83 -0.25 4.97 0.63 -1.26 -0.56 116.66 122.10 1bw4 n ARG 14 Ca 0.09 -4.70 -0.03 0.00 -0.92 0.00 0.00 57.85 52.29 1bw4 n ARG 14 Cb 0.52 -2.28 0.14 0.00 0.45 0.00 0.00 32.46 31.29 1bw4 n ARG 14 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1bw4 h PRO 15 N 4.07 1.09 -0.89 -0.14 0.11 -1.85 -3.05 132.00 131.34 1bw4 h PRO 15 Ca 0.19 -0.16 0.36 0.00 0.11 0.00 0.00 66.00 66.51 1bw4 h PRO 15 Cb 0.63 -0.20 -0.15 0.00 0.11 0.00 0.00 31.00 31.39 1bw4 h PRO 15 CO 0.88 0.84 0.50 0.00 -0.21 0.00 0.00 178.00 180.01 1bw4 n ALA 16 N -2.43 0.91 -0.35 -0.75 0.00 -1.26 -0.61 120.51 116.01 1bw4 n ALA 16 Ca 0.07 0.84 0.26 0.00 0.00 0.00 0.00 53.44 54.61 1bw4 n ALA 16 Cb 0.14 -0.86 0.52 0.00 0.00 0.00 0.00 19.45 19.25 1bw4 n ALA 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1bw4 h GLN 17 N 0.00 0.27 -2.26 0.00 3.07 -1.94 0.85 115.11 115.10 1bw4 h GLN 17 Ca 0.72 -0.02 -0.76 0.00 0.09 0.00 0.00 58.65 58.68 1bw4 h GLN 17 Cb 1.96 -0.06 -0.31 0.00 0.08 0.00 0.00 27.48 29.16 1bw4 h GLN 17 CO -0.61 0.18 0.63 -1.71 0.09 0.00 0.00 178.83 177.42 1bw4 n ASN 18 N -4.92 6.67 -3.80 0.06 2.85 0.21 -4.79 115.26 111.54 1bw4 n ASN 18 Ca 0.32 -3.69 -0.25 0.00 -0.11 0.00 0.00 54.58 50.86 1bw4 n ASN 18 Cb 1.06 -1.02 -0.03 0.00 1.24 0.00 0.00 39.78 41.03 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bw4 n ASN 19 N -0.10 -0.73 -3.25 1.20 2.85 0.28 0.99 115.26 116.50 1bw4 n ASN 19 Ca 0.43 -0.84 -0.13 0.00 -0.11 0.00 0.00 54.58 53.93 1bw4 n ASN 19 Cb 0.29 -1.03 0.05 0.00 1.24 0.00 0.00 39.78 40.33 1bw4 n ASN 19 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1bw4 n TRP 20 N -3.46 -2.55 0.00 1.20 5.03 -0.16 -4.72 117.44 112.77 1bw4 n TRP 20 Ca -0.15 0.90 0.00 0.00 3.03 0.00 0.00 57.50 61.27 1bw4 n TRP 20 Cb 0.42 -4.04 0.00 0.00 -1.03 0.00 0.00 31.31 26.66 1bw4 n TRP 20 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 1bw4 n ASP 21 N -2.79 0.00 0.00 -0.99 -0.08 0.28 -4.65 116.55 108.33 1bw4 n ASP 21 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 1bw4 n ASP 21 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1bw4 n ASP 21 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bw4 n LEU 22 N -1.32 0.00 0.00 -2.67 4.77 -1.26 -1.31 117.00 115.21 1bw4 n LEU 22 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1bw4 n LEU 22 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1bw4 n LEU 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1bw4 n GLY 23 N 0.00 -0.01 3.47 -0.72 0.00 -1.26 -4.75 105.19 101.92 1bw4 n GLY 23 Ca 0.00 -0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1bw4 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 n ALA 24 N -1.33 0.69 -0.21 4.61 0.00 -0.43 -4.71 120.51 119.13 1bw4 n ALA 24 Ca 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 53.44 53.21 1bw4 n ALA 24 Cb 0.00 -2.59 0.18 0.00 0.00 0.00 0.00 19.45 17.05 1bw4 n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bw4 n PRO 25 N 8.43 -0.05 -0.41 0.00 -0.01 -1.26 -0.85 135.00 140.85 1bw4 n PRO 25 Ca 0.49 0.90 0.36 0.00 -0.01 0.00 0.00 63.50 65.24 1bw4 n PRO 25 Cb 0.22 -1.44 0.61 0.00 -0.01 0.00 0.00 33.50 32.89 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw4 n ALA 26 N -3.33 1.21 -0.05 3.55 0.00 -1.26 -3.38 120.51 117.25 1bw4 n ALA 26 Ca 0.15 0.84 -0.05 0.00 0.00 0.00 0.00 53.44 54.37 1bw4 n ALA 26 Cb 0.48 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 1bw4 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw4 n VAL 27 N -4.68 1.04 -1.84 0.00 0.31 -0.03 -5.09 118.33 108.04 1bw4 n VAL 27 Ca 0.37 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.95 1bw4 n VAL 27 Cb 1.41 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 1bw4 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw4 n SER 28 N -3.78 -3.67 -4.94 4.52 3.41 -1.22 -4.99 113.62 102.95 1bw4 n SER 28 Ca -0.08 0.31 -0.24 0.00 -0.26 0.00 0.00 58.87 58.59 1bw4 n SER 28 Cb 0.31 -0.83 0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1bw4 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw4 s ALA 29 N -0.36 3.55 0.19 7.33 0.00 -1.26 -5.02 121.76 126.19 1bw4 s ALA 29 Ca 0.00 -0.93 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 1bw4 s ALA 29 Cb 0.00 -2.35 0.17 0.00 0.00 0.00 0.00 23.12 20.94 1bw4 s ALA 29 CO 0.00 -0.64 1.61 -0.92 0.00 0.00 0.00 175.76 175.80 1bw4 h TYR 30 N 0.07 -0.64 -0.75 0.00 5.03 -1.88 -2.48 116.97 116.32 1bw4 h TYR 30 Ca -0.45 0.06 -0.35 0.00 2.58 0.00 0.00 58.73 60.57 1bw4 h TYR 30 Cb 1.26 0.37 -0.21 0.00 1.55 0.00 0.00 36.73 39.70 1bw4 h TYR 30 CO 0.45 -0.33 0.36 0.00 -1.32 0.00 0.00 178.16 177.31 1bw4 h ALA 32 N 1.33 0.00 -0.93 0.00 0.00 -1.80 0.13 119.26 117.99 1bw4 h ALA 32 Ca 0.43 -0.10 0.29 0.00 0.00 0.00 0.00 54.91 55.54 1bw4 h ALA 32 Cb 2.39 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 20.21 1bw4 h ALA 32 CO 0.81 0.09 0.64 2.41 0.00 0.00 0.00 179.25 183.20 1bw4 n THR 33 N -4.30 -0.07 -0.02 0.00 -1.04 -1.26 -0.90 114.28 106.70 1bw4 n THR 33 Ca -0.01 0.91 -0.04 0.00 -2.04 0.00 0.00 64.05 62.86 1bw4 n THR 33 Cb 0.05 -1.50 -0.01 0.00 -1.82 0.00 0.00 70.33 67.04 1bw4 n THR 33 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1bw4 n TRP 34 N -3.41 0.00 0.57 -1.42 8.01 -1.25 -4.81 117.44 115.13 1bw4 n TRP 34 Ca 0.23 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.55 1bw4 n TRP 34 Cb 0.99 -0.14 0.37 0.00 -2.01 0.00 0.00 31.31 30.52 1bw4 n TRP 34 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1bw4 h ASP 35 N -0.15 0.00 0.15 -0.99 3.32 -0.32 -3.04 116.42 115.39 1bw4 h ASP 35 Ca -0.10 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1bw4 h ASP 35 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1bw4 h ASP 35 CO -0.06 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.46 1bw4 n ALA 36 N -1.83 1.19 0.26 3.45 0.00 -0.08 -0.49 120.51 123.02 1bw4 n ALA 36 Ca 0.05 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1bw4 n ALA 36 Cb 0.44 -1.11 0.15 0.00 0.00 0.00 0.00 19.45 18.94 1bw4 n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw4 h SER 37 N 0.00 0.00 -3.28 0.00 4.64 -1.74 -3.46 113.55 109.71 1bw4 h SER 37 Ca 0.00 -0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.74 1bw4 h SER 37 Cb 0.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.12 1bw4 h SER 37 CO 0.00 0.01 -0.03 -0.54 -0.87 0.00 0.00 176.83 175.40 1bw4 s LYS 38 N -3.23 4.17 0.50 4.77 1.02 0.36 -5.02 119.74 122.30 1bw4 s LYS 38 Ca 0.05 0.71 -0.22 0.00 0.02 0.00 0.00 55.97 56.54 1bw4 s LYS 38 Cb 0.08 -3.16 -0.08 0.00 -0.52 0.00 0.00 37.83 34.14 1bw4 s LYS 38 CO 0.70 0.59 0.97 -0.35 -0.92 0.00 0.00 175.35 176.34 1bw4 n PRO 39 N 1.48 1.16 -0.22 -1.68 -0.04 -1.26 -4.66 135.00 129.78 1bw4 n PRO 39 Ca -0.09 0.43 0.11 0.00 -0.04 0.00 0.00 63.50 63.91 1bw4 n PRO 39 Cb 0.51 -2.08 0.21 0.00 -0.04 0.00 0.00 33.50 32.09 1bw4 n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bw4 n LEU 40 N 0.04 -0.04 -0.01 1.53 4.77 -1.26 -2.39 117.00 119.64 1bw4 n LEU 40 Ca 0.11 1.08 -0.00 0.00 -0.03 0.00 0.00 56.01 57.16 1bw4 n LEU 40 Cb 0.43 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1bw4 n LEU 40 CO 0.54 -1.10 0.50 0.28 -1.33 0.00 0.00 177.39 176.28 1bw4 h SER 41 N 0.00 -0.06 -0.48 -1.43 0.02 -1.99 0.05 113.55 109.66 1bw4 h SER 41 Ca 0.40 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.39 1bw4 h SER 41 Cb 0.86 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.39 1bw4 h SER 41 CO -0.59 -0.01 0.26 -0.25 -1.14 0.00 0.00 176.83 175.10 1bw4 h TRP 42 N -0.00 0.48 -0.41 3.45 7.01 -1.82 0.16 115.95 124.82 1bw4 h TRP 42 Ca 0.00 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.08 1bw4 h TRP 42 Cb 0.01 -0.15 -0.09 0.00 -2.10 0.00 0.00 29.16 26.84 1bw4 h TRP 42 CO -0.83 0.25 -0.48 0.00 -2.79 0.00 0.00 178.44 174.59 1bw4 h ARG 43 N 0.51 -0.35 -0.01 2.65 2.47 -1.34 -2.36 114.38 115.95 1bw4 h ARG 43 Ca 0.20 0.02 -0.24 0.00 -1.26 0.00 0.00 59.98 58.71 1bw4 h ARG 43 Cb 0.08 0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.48 1bw4 h ARG 43 CO -0.12 -0.23 -0.95 0.66 0.56 0.00 0.00 179.97 179.89 1bw4 h SER 44 N -0.36 0.66 0.00 7.04 4.64 -0.92 -3.39 113.55 121.23 1bw4 h SER 44 Ca 0.11 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1bw4 h SER 44 Cb 0.59 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1bw4 h SER 44 CO -0.58 1.32 0.00 1.17 -0.87 0.00 0.00 176.83 177.86 1bw4 n LYS 45 N -3.79 0.00 -0.82 4.77 4.81 0.54 -4.94 118.16 118.73 1bw4 n LYS 45 Ca -0.08 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 1bw4 n LYS 45 Cb 0.84 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 34.54 1bw4 n LYS 45 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bw4 n TYR 46 N -2.01 -0.05 -3.84 5.64 4.01 -0.96 -4.85 117.16 115.10 1bw4 n TYR 46 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 1bw4 n TYR 46 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1bw4 n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bw4 n GLY 47 N 0.00 -0.33 2.74 2.72 0.00 -1.06 -4.52 105.19 104.74 1bw4 n GLY 47 Ca 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1bw4 n GLY 47 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bw4 n TRP 48 N -4.33 -3.14 -3.18 1.61 -0.00 0.69 -4.63 117.44 104.45 1bw4 n TRP 48 Ca -0.28 -1.32 0.04 0.00 -0.00 0.00 0.00 57.50 55.93 1bw4 n TRP 48 Cb 0.67 1.43 -0.01 0.00 -0.00 0.00 0.00 31.31 33.41 1bw4 n TRP 48 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1bw4 s THR 49 N 0.81 -1.00 -0.37 5.87 -4.23 0.17 -4.07 115.64 112.82 1bw4 s THR 49 Ca 0.29 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.52 1bw4 s THR 49 Cb 0.08 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.94 1bw4 s THR 49 CO -0.11 0.00 1.07 0.00 -0.54 0.00 0.00 174.62 175.04 1bw4 s ALA 50 N 2.86 3.40 0.28 3.99 0.00 -1.25 -3.10 121.76 127.94 1bw4 s ALA 50 Ca 0.19 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 51.86 1bw4 s ALA 50 Cb -0.15 -3.71 -0.06 0.00 0.00 0.00 0.00 23.12 19.20 1bw4 s ALA 50 CO -0.21 -1.69 0.58 0.12 0.00 0.00 0.00 175.76 174.56 1bw4 s PHE 51 N 3.82 3.45 0.00 0.00 2.19 -0.67 -0.91 117.98 125.87 1bw4 s PHE 51 Ca 0.45 0.79 -0.03 0.00 0.33 0.00 0.00 56.93 58.47 1bw4 s PHE 51 Cb -0.11 -2.21 -0.01 0.00 -1.31 0.00 0.00 43.02 39.38 1bw4 s PHE 51 CO 0.20 0.17 0.06 0.00 1.83 0.00 0.00 175.22 177.48 1bw4 n GLY 53 N 1.92 4.01 0.24 0.00 0.00 -1.26 -4.38 105.19 105.72 1bw4 n GLY 53 Ca -0.20 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 1bw4 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bw4 h PRO 54 N 0.00 0.79 -2.65 1.61 0.13 -2.01 -3.35 132.00 126.53 1bw4 h PRO 54 Ca 0.00 -0.32 -0.69 0.00 -0.87 0.00 0.00 66.00 64.12 1bw4 h PRO 54 Cb 0.00 -0.04 -0.36 0.00 0.13 0.00 0.00 31.00 30.73 1bw4 h PRO 54 CO 0.00 0.94 -0.06 0.00 -0.23 0.00 0.00 178.00 178.65 1bw4 n ALA 55 N -2.46 4.37 -3.18 -0.56 0.00 -1.26 -4.91 120.51 112.51 1bw4 n ALA 55 Ca -0.01 -4.75 -0.23 0.00 0.00 0.00 0.00 53.44 48.45 1bw4 n ALA 55 Cb 0.38 -1.51 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 1bw4 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw4 n GLY 56 N 1.28 3.98 3.55 0.00 0.00 -1.26 -4.42 105.19 108.33 1bw4 n GLY 56 Ca 0.27 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 1bw4 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw4 s PRO 57 N -2.26 2.10 0.01 1.61 0.04 -1.26 -4.88 135.00 130.36 1bw4 s PRO 57 Ca 0.40 1.40 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 1bw4 s PRO 57 Cb 0.25 -4.58 0.01 0.00 0.04 0.00 0.00 34.50 30.22 1bw4 s PRO 57 CO -0.09 -3.28 0.26 0.50 0.04 0.00 0.00 177.00 174.43 1bw4 s ARG 58 N 8.26 0.68 0.21 4.56 3.52 -1.26 -4.93 118.95 129.98 1bw4 s ARG 58 Ca 0.97 -0.39 -0.16 0.00 -0.13 0.00 0.00 55.73 56.02 1bw4 s ARG 58 Cb -0.17 0.29 0.06 0.00 -1.56 0.00 0.00 34.95 33.57 1bw4 s ARG 58 CO 0.26 -0.19 0.79 0.41 -0.81 0.00 0.00 175.30 175.75 1bw4 n GLY 59 N 1.01 0.86 0.00 8.12 0.00 -1.26 -5.03 105.19 108.89 1bw4 n GLY 59 Ca -0.20 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1bw4 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw4 n GLN 60 N -0.55 0.00 0.32 1.61 6.02 -1.26 -0.42 117.38 123.10 1bw4 n GLN 60 Ca -0.04 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.04 1bw4 n GLN 60 Cb 0.48 0.00 0.46 0.00 1.02 0.00 0.00 30.24 32.20 1bw4 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw4 h ALA 61 N 0.00 1.59 -0.02 -1.58 0.00 -1.98 -0.01 119.26 117.26 1bw4 h ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bw4 h ALA 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bw4 h ALA 61 CO 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 179.25 178.64 1bw4 n ALA 62 N -1.70 2.58 -0.81 0.00 0.00 0.44 -4.81 120.51 116.22 1bw4 n ALA 62 Ca -0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 1bw4 n ALA 62 Cb 0.62 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 1bw4 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n GLY 64 N 4.99 0.65 0.64 0.00 0.00 -0.98 -5.00 105.19 105.48 1bw4 n GLY 64 Ca 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.34 1bw4 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bw4 n LYS 65 N 0.00 1.52 -4.13 1.61 4.01 0.48 -4.74 118.16 116.90 1bw4 n LYS 65 Ca 0.00 -0.61 -0.09 0.00 -0.51 0.00 0.00 58.31 57.10 1bw4 n LYS 65 Cb 0.00 0.10 -0.10 0.00 -0.51 0.00 0.00 35.03 34.52 1bw4 n LYS 65 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bw4 s LEU 67 N -2.99 1.97 -0.26 0.00 0.20 -1.04 -0.48 118.68 116.08 1bw4 s LEU 67 Ca 0.12 -0.24 -0.07 0.00 0.69 0.00 0.00 54.13 54.63 1bw4 s LEU 67 Cb 0.07 -0.67 -0.01 0.00 -0.43 0.00 0.00 46.19 45.14 1bw4 s LEU 67 CO -0.06 0.14 0.07 -0.60 -0.29 0.00 0.00 176.35 175.61 1bw4 s ARG 68 N -0.18 3.46 -0.17 1.98 3.52 0.02 0.19 118.95 127.77 1bw4 s ARG 68 Ca 0.03 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 1bw4 s ARG 68 Cb -0.06 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.01 1bw4 s ARG 68 CO -0.00 -0.27 -0.17 0.08 -0.81 0.00 0.00 175.30 174.13 1bw4 s VAL 69 N 1.57 2.46 0.04 7.11 1.01 -0.04 -1.69 120.40 130.86 1bw4 s VAL 69 Ca 0.05 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1bw4 s VAL 69 Cb -0.16 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1bw4 s VAL 69 CO 0.03 0.52 -0.18 -0.89 0.00 0.00 0.00 175.10 174.57 1bw4 s THR 70 N 1.01 2.79 -0.84 3.92 2.01 -0.63 -0.22 115.64 123.67 1bw4 s THR 70 Ca -0.02 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 60.82 1bw4 s THR 70 Cb -0.15 -2.17 0.22 0.00 0.01 0.00 0.00 72.50 70.41 1bw4 s THR 70 CO -0.04 0.35 0.76 -3.20 -0.69 0.00 0.00 174.62 171.79 1bw4 n ASN 71 N 1.59 4.02 0.09 3.53 5.15 0.16 -2.57 115.26 127.24 1bw4 n ASN 71 Ca -0.16 -3.20 0.04 0.00 -0.60 0.00 0.00 54.58 50.66 1bw4 n ASN 71 Cb 0.52 -0.96 0.20 0.00 -0.53 0.00 0.00 39.78 39.01 1bw4 n ASN 71 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1bw4 n PRO 72 N 2.03 0.05 0.09 1.20 -0.02 -1.26 -0.58 135.00 136.51 1bw4 n PRO 72 Ca 0.22 0.45 -0.03 0.00 -2.02 0.00 0.00 63.50 62.12 1bw4 n PRO 72 Cb 0.37 -1.91 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 1bw4 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 h ALA 73 N 1.22 0.50 0.00 3.55 0.00 -1.95 -3.38 119.26 119.20 1bw4 h ALA 73 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 54.91 54.05 1bw4 h ALA 73 Cb 0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1bw4 h ALA 73 CO 0.00 1.01 -1.46 0.25 0.00 0.00 0.00 179.25 179.04 1bw4 n THR 74 N -3.33 0.46 0.00 0.00 -2.24 0.25 -5.04 114.28 104.39 1bw4 n THR 74 Ca 0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1bw4 n THR 74 Cb 0.85 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1bw4 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw4 n GLY 75 N 2.94 0.67 3.76 3.38 0.00 -0.53 -5.08 105.19 110.33 1bw4 n GLY 75 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1bw4 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 s ALA 76 N -2.00 3.34 -0.03 4.61 0.00 -1.26 -4.79 121.76 121.63 1bw4 s ALA 76 Ca 0.00 0.85 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 1bw4 s ALA 76 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1bw4 s ALA 76 CO 0.00 -0.16 0.08 1.14 0.00 0.00 0.00 175.76 176.81 1bw4 s GLN 77 N -1.66 0.07 0.24 0.00 -2.07 -1.26 -0.66 119.66 114.32 1bw4 s GLN 77 Ca 0.47 0.14 0.05 0.00 -1.82 0.00 0.00 55.36 54.21 1bw4 s GLN 77 Cb -0.30 -0.02 -0.05 0.00 -1.09 0.00 0.00 33.01 31.55 1bw4 s GLN 77 CO 0.38 -0.05 -0.04 -1.50 -1.32 0.00 0.00 175.29 172.76 1bw4 s ILE 78 N 0.30 1.30 -0.28 3.63 1.10 0.69 -4.94 121.20 123.01 1bw4 s ILE 78 Ca -0.02 -2.08 -0.08 0.00 -0.51 0.00 0.00 60.65 57.96 1bw4 s ILE 78 Cb -0.03 -2.31 -0.01 0.00 0.15 0.00 0.00 42.46 40.25 1bw4 s ILE 78 CO -0.01 -0.38 0.11 -0.89 -2.11 0.00 0.00 174.94 171.66 1bw4 s THR 79 N -3.24 4.39 0.74 4.00 2.01 -1.26 -0.86 115.64 121.42 1bw4 s THR 79 Ca 0.27 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 61.80 1bw4 s THR 79 Cb 0.04 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.42 1bw4 s THR 79 CO 0.09 0.18 1.12 0.00 -0.69 0.00 0.00 174.62 175.32 1bw4 s ALA 80 N 1.60 2.82 -0.78 7.40 0.00 0.13 -4.80 121.76 128.13 1bw4 s ALA 80 Ca 0.05 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.51 1bw4 s ALA 80 Cb -0.16 -3.00 0.20 0.00 0.00 0.00 0.00 23.12 20.15 1bw4 s ALA 80 CO 0.05 -1.31 0.66 1.03 0.00 0.00 0.00 175.76 176.19 1bw4 s ARG 81 N -5.43 3.14 -0.17 0.00 0.52 -1.26 -2.50 118.95 113.26 1bw4 s ARG 81 Ca 0.59 -2.73 -0.29 0.00 -0.52 0.00 0.00 55.73 52.78 1bw4 s ARG 81 Cb -0.11 -4.04 -0.02 0.00 0.52 0.00 0.00 34.95 31.30 1bw4 s ARG 81 CO 0.51 -1.23 1.38 0.42 0.02 0.00 0.00 175.30 176.39 1bw4 s ILE 82 N -0.38 4.07 0.00 1.52 1.01 0.37 0.25 121.20 128.03 1bw4 s ILE 82 Ca 0.21 1.27 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1bw4 s ILE 82 Cb -0.14 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1bw4 s ILE 82 CO -0.07 -0.20 0.00 0.55 0.00 0.00 0.00 174.94 175.22 1bw4 n VAL 83 N 5.64 0.00 -4.05 2.92 3.14 -1.20 -0.39 118.33 124.39 1bw4 n VAL 83 Ca 0.15 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.29 1bw4 n VAL 83 Cb 0.45 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.16 1bw4 n VAL 83 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1bw4 s ASP 84 N -2.60 4.53 0.06 6.55 1.01 -1.18 -4.35 116.67 120.68 1bw4 s ASP 84 Ca 0.00 -1.00 0.05 0.00 0.71 0.00 0.00 52.55 52.31 1bw4 s ASP 84 Cb 0.00 -0.52 -0.04 0.00 1.01 0.00 0.00 42.92 43.38 1bw4 s ASP 84 CO 0.00 -0.53 -0.08 -1.58 0.21 0.00 0.00 175.17 173.19 1bw4 s GLN 85 N -3.92 2.34 0.57 8.23 0.74 -1.26 -1.67 119.66 124.68 1bw4 s GLN 85 Ca 0.42 -0.88 -0.07 0.00 0.05 0.00 0.00 55.36 54.88 1bw4 s GLN 85 Cb 0.02 -2.40 -0.01 0.00 1.10 0.00 0.00 33.01 31.73 1bw4 s GLN 85 CO 0.23 0.55 0.90 0.00 -0.55 0.00 0.00 175.29 176.43 1bw4 n ALA 87 N -2.55 2.08 0.01 0.00 0.00 -1.26 -4.92 120.51 113.86 1bw4 n ALA 87 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1bw4 n ALA 87 Cb 0.56 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1bw4 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw4 n ASN 88 N 0.04 -0.10 0.00 0.00 6.94 -1.26 -5.17 115.26 115.71 1bw4 n ASN 88 Ca -0.00 0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 1bw4 n ASN 88 Cb 0.69 0.23 0.00 0.00 -2.36 0.00 0.00 39.78 38.34 1bw4 n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw4 n GLY 89 N 0.69 3.12 0.00 4.83 0.00 -1.26 -5.15 105.19 107.42 1bw4 n GLY 89 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1bw4 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw4 n GLY 90 N 0.00 -1.73 0.00 -0.02 0.00 -1.26 -4.51 105.19 97.67 1bw4 n GLY 90 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1bw4 n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bw4 n LEU 91 N -0.03 0.00 -3.56 0.99 0.00 -0.83 -2.66 117.00 110.91 1bw4 n LEU 91 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.86 1bw4 n LEU 91 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 1bw4 n LEU 91 CO 0.00 0.00 0.52 1.51 0.00 0.00 0.00 177.39 179.42 1bw4 s ASP 92 N 0.00 -0.61 -0.84 1.96 -4.77 -1.14 -2.47 116.67 108.79 1bw4 s ASP 92 Ca 0.00 0.84 0.01 0.00 -3.30 0.00 0.00 52.55 50.10 1bw4 s ASP 92 Cb 0.00 0.73 0.31 0.00 -1.09 0.00 0.00 42.92 42.87 1bw4 s ASP 92 CO 0.00 -0.45 1.32 0.00 0.70 0.00 0.00 175.17 176.74 1bw4 n LEU 93 N 1.37 5.74 0.00 2.11 -0.00 -0.09 -0.45 117.00 125.69 1bw4 n LEU 93 Ca -0.16 -5.45 0.00 0.00 -0.00 0.00 0.00 56.01 50.40 1bw4 n LEU 93 Cb 0.57 -0.93 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 1bw4 n LEU 93 CO 0.16 2.07 0.00 -0.90 -0.00 0.00 0.00 177.39 178.72 1bw4 n ASP 94 N 0.31 0.00 0.00 1.45 5.75 0.28 -3.82 116.55 120.52 1bw4 n ASP 94 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1bw4 n ASP 94 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1bw4 n TRP 95 N -0.18 0.00 -0.90 2.11 -0.00 -0.88 -4.50 117.44 113.10 1bw4 n TRP 95 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.51 1bw4 n TRP 95 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.33 1bw4 n TRP 95 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1bw4 n ASP 96 N 0.72 0.83 -0.04 5.87 2.03 -1.26 -4.63 116.55 120.08 1bw4 n ASP 96 Ca 0.00 -1.69 -0.02 0.00 0.52 0.00 0.00 54.79 53.59 1bw4 n ASP 96 Cb 0.00 -0.08 -0.01 0.00 -0.72 0.00 0.00 41.12 40.31 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1bw4 n THR 97 N -0.31 0.75 0.00 5.18 -2.24 -1.26 -4.72 114.28 111.68 1bw4 n THR 97 Ca 0.02 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 1bw4 n THR 97 Cb 0.48 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 1bw4 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bw4 n VAL 98 N -3.51 0.00 0.00 2.28 0.31 -1.26 -4.74 118.33 111.41 1bw4 n VAL 98 Ca -0.04 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1bw4 n VAL 98 Cb 0.14 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1bw4 n VAL 98 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bw4 n PHE 99 N -1.58 0.00 0.05 3.52 -0.00 -1.26 -3.00 117.46 115.19 1bw4 n PHE 99 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1bw4 n PHE 99 Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 39.48 38.99 1bw4 n PHE 99 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1bw4 n THR 100 N -2.34 0.00 -0.04 -2.13 -1.04 -1.26 0.42 114.28 107.88 1bw4 n THR 100 Ca 0.00 0.43 -0.07 0.00 -2.04 0.00 0.00 64.05 62.36 1bw4 n THR 100 Cb 0.00 -1.13 -0.04 0.00 -1.82 0.00 0.00 70.33 67.34 1bw4 n THR 100 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bw4 n LYS 101 N -0.96 0.21 0.00 -2.82 4.76 -1.21 -4.65 118.16 113.49 1bw4 n LYS 101 Ca 0.00 0.06 0.15 0.00 -2.87 0.00 0.00 58.31 55.65 1bw4 n LYS 101 Cb 0.43 -1.04 0.80 0.00 -1.84 0.00 0.00 35.03 33.38 1bw4 n LYS 101 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1bw4 n ILE 102 N -2.99 0.03 0.08 -0.18 -5.35 0.17 -4.02 119.36 107.09 1bw4 n ILE 102 Ca -0.16 0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1bw4 n ILE 102 Cb 0.65 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 1bw4 n ILE 102 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1bw4 n ASP 103 N -1.18 4.41 -0.50 7.28 5.75 -0.77 -4.57 116.55 126.98 1bw4 n ASP 103 Ca 0.17 -2.24 0.41 0.00 -0.01 0.00 0.00 54.79 53.12 1bw4 n ASP 103 Cb 0.18 -0.88 0.68 0.00 -1.03 0.00 0.00 41.12 40.07 1bw4 n ASP 103 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1bw4 n THR 104 N 1.12 -0.20 -0.05 2.12 -2.24 -1.26 0.44 114.28 114.21 1bw4 n THR 104 Ca 0.00 1.69 -0.06 0.00 -2.27 0.00 0.00 64.05 63.41 1bw4 n THR 104 Cb 0.50 -2.78 -0.14 0.00 -2.10 0.00 0.00 70.33 65.81 1bw4 n THR 104 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bw4 n ASN 105 N -4.51 0.41 0.00 3.42 6.94 -1.26 -4.99 115.26 115.27 1bw4 n ASN 105 Ca 0.40 0.19 0.00 0.00 -0.02 0.00 0.00 54.58 55.15 1bw4 n ASN 105 Cb 1.59 0.62 0.00 0.00 -2.36 0.00 0.00 39.78 39.63 1bw4 n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw4 n GLY 106 N 1.59 1.42 0.05 4.83 0.00 0.17 -4.79 105.19 108.46 1bw4 n GLY 106 Ca -0.22 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 45.84 1bw4 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw4 n ILE 107 N 0.00 -0.02 -0.31 -0.61 2.08 -1.26 -1.11 119.36 118.12 1bw4 n ILE 107 Ca 0.00 0.19 0.15 0.00 0.56 0.00 0.00 62.75 63.65 1bw4 n ILE 107 Cb 0.00 -0.31 0.32 0.00 -0.75 0.00 0.00 39.64 38.90 1bw4 n ILE 107 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1bw4 h GLY 108 N 0.00 1.42 -0.35 7.39 0.00 -1.87 0.44 103.07 110.10 1bw4 h GLY 108 Ca 0.09 -0.01 0.16 0.00 0.00 0.00 0.00 47.33 47.57 1bw4 h GLY 108 CO -0.05 -0.43 -0.06 -1.82 0.00 0.00 0.00 176.54 174.18 1bw4 h TYR 109 N 0.15 -0.17 -0.75 5.60 3.20 -1.31 0.20 116.97 123.90 1bw4 h TYR 109 Ca 0.59 0.06 0.14 0.00 3.14 0.00 0.00 58.73 62.65 1bw4 h TYR 109 Cb 1.23 0.19 -0.13 0.00 1.54 0.00 0.00 36.73 39.55 1bw4 h TYR 109 CO -0.29 -0.26 -0.23 0.94 -1.64 0.00 0.00 178.16 176.69 1bw4 n GLN 110 N -5.38 -0.11 -0.04 1.82 -0.06 0.15 -0.25 117.38 113.51 1bw4 n GLN 110 Ca 0.12 1.16 -0.05 0.00 -2.00 0.00 0.00 57.00 56.23 1bw4 n GLN 110 Cb 0.42 -1.73 -0.14 0.00 -4.06 0.00 0.00 30.24 24.73 1bw4 n GLN 110 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1bw4 n GLN 111 N -5.18 0.66 0.00 3.69 6.02 -0.82 -4.99 117.38 116.77 1bw4 n GLN 111 Ca 0.10 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1bw4 n GLN 111 Cb 0.35 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bw4 n GLY 112 N 1.57 1.51 3.76 1.08 0.00 0.66 -5.10 105.19 108.66 1bw4 n GLY 112 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 1bw4 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw4 s HIS 113 N -2.00 -0.11 0.18 1.61 -3.43 -0.48 -4.10 115.29 106.96 1bw4 s HIS 113 Ca 0.00 -0.20 0.03 0.00 -0.80 0.00 0.00 55.06 54.09 1bw4 s HIS 113 Cb 0.00 0.64 -0.05 0.00 -1.43 0.00 0.00 32.58 31.75 1bw4 s HIS 113 CO 0.00 -0.82 -0.03 -1.17 -2.00 0.00 0.00 174.74 170.72 1bw4 s LEU 114 N -2.98 2.27 -0.38 5.38 2.96 0.01 -4.25 118.68 121.69 1bw4 s LEU 114 Ca 0.13 -1.14 -0.07 0.00 -0.22 0.00 0.00 54.13 52.83 1bw4 s LEU 114 Cb -0.01 -0.20 0.06 0.00 0.50 0.00 0.00 46.19 46.54 1bw4 s LEU 114 CO 0.02 -0.48 0.18 0.21 -1.32 0.00 0.00 176.35 174.96 1bw4 s ASN 115 N -3.21 5.45 0.39 3.68 3.84 -1.26 -1.65 114.94 122.19 1bw4 s ASN 115 Ca 0.23 -1.37 0.05 0.00 0.21 0.00 0.00 52.86 51.98 1bw4 s ASN 115 Cb 0.05 -1.92 -0.06 0.00 -0.55 0.00 0.00 41.25 38.77 1bw4 s ASN 115 CO 0.04 -0.43 0.04 0.68 -2.79 0.00 0.00 177.10 174.64 1bw4 s VAL 116 N 1.39 1.45 -0.11 -5.21 -7.23 -1.06 -4.61 120.40 105.02 1bw4 s VAL 116 Ca 0.01 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1bw4 s VAL 116 Cb -0.21 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 33.99 1bw4 s VAL 116 CO 0.02 0.00 -0.14 0.20 -0.31 0.00 0.00 175.10 174.87 1bw4 s ASN 117 N -3.64 2.40 -0.00 4.85 0.01 -1.06 -0.41 114.94 117.09 1bw4 s ASN 117 Ca 0.31 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1bw4 s ASN 117 Cb 0.08 -1.06 -0.00 0.00 0.41 0.00 0.00 41.25 40.68 1bw4 s ASN 117 CO 0.15 -0.01 -0.01 -0.72 -1.51 0.00 0.00 177.10 175.00 1bw4 s TYR 118 N 1.10 0.12 -0.02 2.20 -0.85 0.23 -1.61 117.35 118.53 1bw4 s TYR 118 Ca -0.04 -0.04 0.03 0.00 -0.52 0.00 0.00 57.07 56.50 1bw4 s TYR 118 Cb -0.14 -0.08 -0.00 0.00 0.38 0.00 0.00 41.96 42.11 1bw4 s TYR 118 CO -0.03 -0.01 -0.11 -0.65 -1.52 0.00 0.00 175.55 173.23 1bw4 s GLN 119 N -0.07 1.01 0.22 -3.49 -1.52 -0.68 -1.19 119.66 113.93 1bw4 s GLN 119 Ca 0.00 -0.39 -0.30 0.00 -1.95 0.00 0.00 55.36 52.72 1bw4 s GLN 119 Cb -0.01 -0.96 -0.09 0.00 -0.22 0.00 0.00 33.01 31.73 1bw4 s GLN 119 CO -0.00 0.21 1.34 -0.06 -0.25 0.00 0.00 175.29 176.53 1bw4 s PHE 120 N -0.10 3.19 -0.04 0.91 0.40 0.46 -0.80 117.98 122.01 1bw4 s PHE 120 Ca 0.01 1.18 0.01 0.00 -0.60 0.00 0.00 56.93 57.53 1bw4 s PHE 120 Cb -0.06 -3.66 0.02 0.00 0.51 0.00 0.00 43.02 39.83 1bw4 s PHE 120 CO 0.00 -2.07 -0.04 0.08 0.70 0.00 0.00 175.22 173.89 1bw4 s VAL 121 N 0.04 0.51 -0.26 -0.44 1.01 0.37 -4.80 120.40 116.83 1bw4 s VAL 121 Ca 0.57 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.24 1bw4 s VAL 121 Cb -0.38 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1bw4 s VAL 121 CO 0.40 0.22 0.61 -0.62 0.00 0.00 0.00 175.10 175.71 1bw4 s ASP 122 N 0.90 6.55 0.41 3.32 2.15 -1.26 -1.10 116.67 127.63 1bw4 s ASP 122 Ca -0.11 0.65 0.28 0.00 0.43 0.00 0.00 52.55 53.80 1bw4 s ASP 122 Cb -0.14 -2.33 1.07 0.00 -0.30 0.00 0.00 42.92 41.22 1bw4 s ASP 122 CO 0.00 -0.37 1.83 0.00 -0.17 0.00 0.00 175.17 176.46 1bw4 n ARG 124 N -2.72 -1.39 0.00 0.00 0.63 -1.26 -5.10 116.66 106.81 1bw4 n ARG 124 Ca 0.02 0.85 0.01 0.00 -0.92 0.00 0.00 57.85 57.82 1bw4 n ARG 124 Cb 0.32 -3.16 0.09 0.00 0.45 0.00 0.00 32.46 30.15 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65