#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 1.61 -0.07 5.31 -0.21 -1.26 -2.55 119.66 122.49 1bw4 s GLN 2 Ca 0.00 -0.37 0.02 0.00 0.02 0.00 0.00 55.36 55.03 1bw4 s GLN 2 Cb 0.00 -1.37 0.02 0.00 1.00 0.00 0.00 33.01 32.66 1bw4 s GLN 2 CO 0.00 -0.01 -0.11 0.00 -2.12 0.00 0.00 175.29 173.06 1bw4 s ALA 3 N 0.77 1.20 0.23 6.09 0.00 -0.53 -5.03 121.76 124.49 1bw4 s ALA 3 Ca -0.13 -0.39 0.10 0.00 0.00 0.00 0.00 51.96 51.54 1bw4 s ALA 3 Cb -0.15 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1bw4 s ALA 3 CO 0.02 0.03 -0.11 -0.80 0.00 0.00 0.00 175.76 174.90 1bw4 s ASN 4 N 0.84 4.10 -0.46 0.00 -0.87 -1.26 -1.17 114.94 116.13 1bw4 s ASN 4 Ca -0.11 -0.74 -0.05 0.00 -1.57 0.00 0.00 52.86 50.39 1bw4 s ASN 4 Cb -0.15 -0.61 0.01 0.00 -0.02 0.00 0.00 41.25 40.47 1bw4 s ASN 4 CO 0.02 0.06 0.30 0.47 -2.57 0.00 0.00 177.10 175.38 1bw4 n ASP 5 N -0.38 -2.25 -4.64 -1.22 8.00 -1.18 -4.90 116.55 109.97 1bw4 n ASP 5 Ca -0.08 -0.53 -0.35 0.00 0.71 0.00 0.00 54.79 54.54 1bw4 n ASP 5 Cb 0.58 -0.78 -0.10 0.00 -0.02 0.00 0.00 41.12 40.80 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bw4 s VAL 6 N -2.96 4.52 -1.20 2.53 1.01 -0.09 -4.87 120.40 119.34 1bw4 s VAL 6 Ca 0.06 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 1bw4 s VAL 6 Cb -0.04 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1bw4 s VAL 6 CO 0.45 0.52 1.86 0.00 0.00 0.00 0.00 175.10 177.93 1bw4 s ARG 7 N -0.13 3.00 -0.04 2.72 1.70 -1.26 -0.63 118.95 124.31 1bw4 s ARG 7 Ca 0.06 -1.38 -0.29 0.00 -0.47 0.00 0.00 55.73 53.64 1bw4 s ARG 7 Cb -0.12 -5.33 -0.02 0.00 -0.57 0.00 0.00 34.95 28.90 1bw4 s ARG 7 CO 0.02 -3.35 0.95 0.00 -1.08 0.00 0.00 175.30 171.84 1bw4 s ALA 8 N 8.64 3.26 0.42 7.88 0.00 0.20 -4.81 121.76 137.35 1bw4 s ALA 8 Ca 0.63 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 1bw4 s ALA 8 Cb 0.00 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1bw4 s ALA 8 CO 0.10 -0.34 0.11 0.25 0.00 0.00 0.00 175.76 175.88 1bw4 n THR 9 N 4.11 0.00 -3.43 0.00 -2.24 -1.26 -0.11 114.28 111.34 1bw4 n THR 9 Ca 0.06 -0.18 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 1bw4 n THR 9 Cb 0.50 -1.32 -0.09 0.00 -2.10 0.00 0.00 70.33 67.32 1bw4 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bw4 n TYR 10 N -1.54 0.81 -3.34 4.78 4.11 -1.26 -3.64 117.16 117.08 1bw4 n TYR 10 Ca 0.02 -3.72 -0.46 0.00 -0.00 0.00 0.00 57.90 53.74 1bw4 n TYR 10 Cb 0.07 -0.23 -0.02 0.00 -0.00 0.00 0.00 39.34 39.16 1bw4 n TYR 10 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bw4 s HIS 11 N -1.03 3.83 -0.35 -3.48 2.46 -1.07 -4.51 115.29 111.15 1bw4 s HIS 11 Ca 0.33 -2.11 -0.10 0.00 0.47 0.00 0.00 55.06 53.65 1bw4 s HIS 11 Cb 0.08 -3.81 0.01 0.00 -0.13 0.00 0.00 32.58 28.74 1bw4 s HIS 11 CO -0.14 -0.98 0.18 1.52 -2.47 0.00 0.00 174.74 172.86 1bw4 s TYR 12 N -0.05 3.22 0.18 3.88 -0.85 -1.26 -2.83 117.35 119.64 1bw4 s TYR 12 Ca 0.20 -0.79 -0.30 0.00 -0.52 0.00 0.00 57.07 55.66 1bw4 s TYR 12 Cb -0.10 -2.40 -0.08 0.00 0.38 0.00 0.00 41.96 39.76 1bw4 s TYR 12 CO -0.09 -0.56 1.10 -0.47 -1.52 0.00 0.00 175.55 174.01 1bw4 s TYR 13 N 1.58 3.59 -0.50 -3.49 5.04 0.80 -4.59 117.35 119.78 1bw4 s TYR 13 Ca 0.03 1.60 0.02 0.00 -2.44 0.00 0.00 57.07 56.28 1bw4 s TYR 13 Cb -0.18 -3.28 0.46 0.00 0.35 0.00 0.00 41.96 39.32 1bw4 s TYR 13 CO 0.07 -0.61 1.70 2.89 -1.34 0.00 0.00 175.55 178.25 1bw4 n ARG 14 N 2.39 2.96 -0.23 4.97 1.85 -1.26 -0.00 116.66 127.34 1bw4 n ARG 14 Ca 0.03 -3.59 0.16 0.00 -1.00 0.00 0.00 57.85 53.45 1bw4 n ARG 14 Cb 0.46 -2.26 0.31 0.00 -1.05 0.00 0.00 32.46 29.92 1bw4 n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1bw4 n PRO 15 N -0.87 -0.05 -0.56 2.89 -0.02 -1.26 -0.90 135.00 134.23 1bw4 n PRO 15 Ca 0.54 0.99 0.46 0.00 -2.02 0.00 0.00 63.50 63.47 1bw4 n PRO 15 Cb 0.83 -1.67 0.75 0.00 -0.02 0.00 0.00 33.50 33.39 1bw4 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 h ALA 16 N 1.37 3.61 -0.97 3.55 0.00 -1.89 -1.69 119.26 123.24 1bw4 h ALA 16 Ca 0.50 -0.06 0.29 0.00 0.00 0.00 0.00 54.91 55.64 1bw4 h ALA 16 Cb 1.21 0.13 -0.18 0.00 0.00 0.00 0.00 17.79 18.96 1bw4 h ALA 16 CO -0.59 -2.18 0.13 0.37 0.00 0.00 0.00 179.25 176.98 1bw4 h GLN 17 N 0.00 0.04 -2.11 0.00 -0.00 -1.45 1.05 115.11 112.63 1bw4 h GLN 17 Ca 0.81 -0.00 -0.70 0.00 -0.00 0.00 0.00 58.65 58.75 1bw4 h GLN 17 Cb 3.41 -0.01 -0.34 0.00 0.00 0.00 0.00 27.48 30.55 1bw4 h GLN 17 CO -0.01 0.02 0.28 -1.71 0.00 0.00 0.00 178.83 177.41 1bw4 n ASN 18 N -5.42 6.14 -4.05 -0.69 5.15 -0.69 -4.82 115.26 110.88 1bw4 n ASN 18 Ca 0.25 -3.72 -0.27 0.00 -0.60 0.00 0.00 54.58 50.24 1bw4 n ASN 18 Cb 0.82 -0.86 -0.08 0.00 -0.53 0.00 0.00 39.78 39.13 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bw4 n ASN 19 N -0.26 0.72 -3.82 1.20 2.85 0.36 -0.26 115.26 116.05 1bw4 n ASN 19 Ca 0.42 -1.09 -0.29 0.00 -0.11 0.00 0.00 54.58 53.51 1bw4 n ASN 19 Cb 0.35 -1.36 0.01 0.00 1.24 0.00 0.00 39.78 40.03 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 -4.07 -1.11 -1.52 1.20 7.02 -0.88 -4.74 117.44 113.34 1bw4 n TRP 20 Ca -0.28 0.20 -0.41 0.00 -1.02 0.00 0.00 57.50 55.99 1bw4 n TRP 20 Cb 0.59 -1.95 -0.02 0.00 -2.42 0.00 0.00 31.31 27.52 1bw4 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw4 n ASP 21 N -1.39 4.12 -0.26 -0.99 2.03 0.65 -4.64 116.55 116.07 1bw4 n ASP 21 Ca -0.13 -2.76 0.33 0.00 0.52 0.00 0.00 54.79 52.75 1bw4 n ASP 21 Cb 0.43 -1.51 0.73 0.00 -0.72 0.00 0.00 41.12 40.05 1bw4 n ASP 21 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1bw4 h LEU 22 N 10.46 0.00 -0.76 -2.67 3.38 -1.86 0.30 115.31 124.15 1bw4 h LEU 22 Ca 0.57 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.70 1bw4 h LEU 22 Cb 0.59 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 1bw4 h LEU 22 CO 1.88 0.00 0.25 1.23 0.09 0.00 0.00 178.44 181.89 1bw4 h GLY 23 N 0.00 1.13 -7.27 0.83 0.00 -1.94 -2.57 103.07 93.25 1bw4 h GLY 23 Ca 0.51 -0.10 -0.40 0.00 0.00 0.00 0.00 47.33 47.34 1bw4 h GLY 23 CO -0.01 -0.17 1.53 0.00 0.00 0.00 0.00 176.54 177.90 1bw4 n ALA 24 N -2.58 0.59 -0.07 3.60 0.00 0.11 -4.74 120.51 117.41 1bw4 n ALA 24 Ca 0.15 -0.74 -0.01 0.00 0.00 0.00 0.00 53.44 52.84 1bw4 n ALA 24 Cb 0.46 -2.76 -0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 8.33 -0.06 -0.28 0.00 -0.02 -1.26 -0.89 135.00 140.82 1bw4 n PRO 25 Ca 0.53 0.28 0.24 0.00 -2.02 0.00 0.00 63.50 62.54 1bw4 n PRO 25 Cb 0.28 -0.42 0.42 0.00 -0.02 0.00 0.00 33.50 33.77 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 n ALA 26 N -3.88 0.82 -0.07 3.55 0.00 -1.26 -2.11 120.51 117.55 1bw4 n ALA 26 Ca 0.01 0.59 -0.07 0.00 0.00 0.00 0.00 53.44 53.97 1bw4 n ALA 26 Cb 0.06 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 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 -4.13 1.27 -2.05 0.00 0.31 -0.07 -4.98 118.33 108.68 1bw4 n VAL 27 Ca 0.26 0.20 -0.07 0.00 -0.01 0.00 0.00 64.34 64.72 1bw4 n VAL 27 Cb 0.96 -2.23 -0.01 0.00 -0.91 0.00 0.00 33.84 31.65 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 -4.18 -0.66 -1.81 4.52 3.41 -0.90 -4.79 113.62 109.21 1bw4 n SER 28 Ca -0.11 -0.04 -0.24 0.00 -0.26 0.00 0.00 58.87 58.22 1bw4 n SER 28 Cb 0.41 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1bw4 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw4 n ALA 29 N -1.64 -1.71 0.00 7.33 0.00 -1.26 -4.68 120.51 118.54 1bw4 n ALA 29 Ca 0.02 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1bw4 n ALA 29 Cb 0.25 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1bw4 n ALA 29 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1bw4 n TYR 30 N 0.65 0.00 0.42 0.00 4.19 -1.26 -0.49 117.16 120.67 1bw4 n TYR 30 Ca 0.08 0.00 0.12 0.00 3.31 0.00 0.00 57.90 61.41 1bw4 n TYR 30 Cb 0.03 -0.13 0.20 0.00 0.49 0.00 0.00 39.34 39.93 1bw4 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw4 n ALA 32 N 1.49 -0.23 -0.34 0.00 0.00 0.35 0.70 120.51 122.49 1bw4 n ALA 32 Ca 0.19 0.30 0.19 0.00 0.00 0.00 0.00 53.44 54.12 1bw4 n ALA 32 Cb 0.61 0.04 0.37 0.00 0.00 0.00 0.00 19.45 20.47 1bw4 n ALA 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bw4 n THR 33 N -3.95 -0.42 0.02 0.00 -1.04 -1.26 0.38 114.28 108.01 1bw4 n THR 33 Ca 0.01 2.15 0.05 0.00 -2.04 0.00 0.00 64.05 64.22 1bw4 n THR 33 Cb 0.09 -3.23 -0.10 0.00 -1.82 0.00 0.00 70.33 65.27 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 -5.44 0.53 -0.13 -1.42 8.01 0.22 -4.60 117.44 114.62 1bw4 n TRP 34 Ca 0.27 0.17 -0.22 0.00 -1.31 0.00 0.00 57.50 56.41 1bw4 n TRP 34 Cb 0.90 -0.86 -0.10 0.00 -2.01 0.00 0.00 31.31 29.24 1bw4 n TRP 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bw4 n ASP 35 N -2.62 1.98 0.10 -0.99 9.92 0.20 -4.51 116.55 120.63 1bw4 n ASP 35 Ca -0.09 0.08 0.20 0.00 -0.53 0.00 0.00 54.79 54.45 1bw4 n ASP 35 Cb 0.73 -0.57 0.67 0.00 -0.64 0.00 0.00 41.12 41.31 1bw4 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw4 h ALA 36 N -0.45 2.10 -0.26 2.24 0.00 -0.26 0.42 119.26 123.04 1bw4 h ALA 36 Ca -0.61 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 1bw4 h ALA 36 Cb 1.72 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1bw4 h ALA 36 CO -0.24 -0.79 -0.31 0.66 0.00 0.00 0.00 179.25 178.57 1bw4 h SER 37 N 0.00 0.56 -4.10 0.00 4.64 -1.79 -3.44 113.55 109.42 1bw4 h SER 37 Ca 0.20 -0.21 -0.54 0.00 -0.47 0.00 0.00 61.79 60.76 1bw4 h SER 37 Cb 1.35 -0.15 0.13 0.00 -0.31 0.00 0.00 62.40 63.41 1bw4 h SER 37 CO -0.00 0.84 0.49 -0.54 -0.87 0.00 0.00 176.83 176.75 1bw4 s LYS 38 N -4.40 2.81 -0.40 4.77 1.02 0.15 -4.80 119.74 118.89 1bw4 s LYS 38 Ca -0.07 1.92 -0.40 0.00 0.02 0.00 0.00 55.97 57.44 1bw4 s LYS 38 Cb 0.13 -1.90 -0.15 0.00 -0.52 0.00 0.00 37.83 35.39 1bw4 s LYS 38 CO 0.81 -1.36 2.06 -0.35 -0.92 0.00 0.00 175.35 175.59 1bw4 n PRO 39 N -1.71 0.66 -0.52 -1.68 -0.04 -1.26 -4.74 135.00 125.71 1bw4 n PRO 39 Ca 0.15 0.20 0.42 0.00 -0.04 0.00 0.00 63.50 64.22 1bw4 n PRO 39 Cb 0.49 -2.01 0.69 0.00 -0.04 0.00 0.00 33.50 32.63 1bw4 n PRO 39 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1bw4 n LEU 40 N 7.91 0.14 -0.03 1.53 7.94 -1.26 -1.56 117.00 131.67 1bw4 n LEU 40 Ca 0.43 1.22 -0.05 0.00 -1.11 0.00 0.00 56.01 56.50 1bw4 n LEU 40 Cb 0.10 -0.60 -0.03 0.00 0.53 0.00 0.00 43.42 43.42 1bw4 n LEU 40 CO 0.82 -1.30 0.50 -1.28 -1.11 0.00 0.00 177.39 175.02 1bw4 h SER 41 N 0.00 -0.61 -0.87 1.96 0.87 -1.98 0.23 113.55 113.14 1bw4 h SER 41 Ca 0.86 0.08 0.22 0.00 -1.23 0.00 0.00 61.79 61.71 1bw4 h SER 41 Cb 2.98 0.25 -0.16 0.00 -0.44 0.00 0.00 62.40 65.03 1bw4 h SER 41 CO -0.32 -0.15 0.01 -0.25 -0.53 0.00 0.00 176.83 175.59 1bw4 h TRP 42 N -0.16 -0.06 0.58 2.24 7.01 -1.65 0.45 115.95 124.36 1bw4 h TRP 42 Ca 0.02 0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1bw4 h TRP 42 Cb 0.21 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 1bw4 h TRP 42 CO -0.58 -0.33 -0.46 -0.09 -2.79 0.00 0.00 178.44 174.20 1bw4 h ARG 43 N 0.07 -0.96 -0.08 2.65 9.65 -1.22 -3.02 114.38 121.47 1bw4 h ARG 43 Ca 0.50 0.07 -0.19 0.00 -1.10 0.00 0.00 59.98 59.25 1bw4 h ARG 43 Cb 0.95 0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1bw4 h ARG 43 CO -0.79 -0.64 -0.76 0.66 2.80 0.00 0.00 179.97 181.23 1bw4 h SER 44 N -1.00 0.55 -0.64 -3.80 4.64 -0.28 -3.33 113.55 109.70 1bw4 h SER 44 Ca -0.08 -0.37 0.11 0.00 -0.47 0.00 0.00 61.79 60.98 1bw4 h SER 44 Cb 0.83 -0.16 -0.12 0.00 -0.31 0.00 0.00 62.40 62.64 1bw4 h SER 44 CO 0.01 1.12 -0.36 0.50 -0.87 0.00 0.00 176.83 177.24 1bw4 h LYS 45 N 0.31 -0.15 -7.80 4.77 3.64 -0.12 -3.42 116.57 113.80 1bw4 h LYS 45 Ca -0.04 0.01 -0.45 0.00 -1.27 0.00 0.00 60.65 58.90 1bw4 h LYS 45 Cb 1.35 0.03 0.16 0.00 -0.41 0.00 0.00 32.23 33.36 1bw4 h LYS 45 CO 0.13 -0.10 0.42 0.71 -2.27 0.00 0.00 179.45 178.35 1bw4 s TYR 46 N -5.97 1.76 0.02 1.91 2.02 -1.14 -5.00 117.35 110.95 1bw4 s TYR 46 Ca -0.14 0.37 -0.07 0.00 -0.37 0.00 0.00 57.07 56.86 1bw4 s TYR 46 Cb 0.16 -4.04 -0.03 0.00 -0.40 0.00 0.00 41.96 37.64 1bw4 s TYR 46 CO 0.69 -2.55 1.11 0.78 -1.57 0.00 0.00 175.55 174.01 1bw4 h GLY 47 N -1.58 -0.84 -0.19 0.71 0.00 -1.80 -3.46 103.07 95.91 1bw4 h GLY 47 Ca -0.45 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1bw4 h GLY 47 CO 0.41 -0.30 -0.04 1.87 0.00 0.00 0.00 176.54 178.48 1bw4 n TRP 48 N -2.91 -0.22 -3.67 5.60 -0.00 -1.23 -4.72 117.44 110.29 1bw4 n TRP 48 Ca -0.02 0.12 -0.10 0.00 -0.00 0.00 0.00 57.50 57.49 1bw4 n TRP 48 Cb 0.09 -1.48 -0.09 0.00 -0.00 0.00 0.00 31.31 29.84 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 -1.31 -0.01 0.82 5.87 -4.23 0.33 -4.49 115.64 112.62 1bw4 s THR 49 Ca 0.00 0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.41 1bw4 s THR 49 Cb 0.00 -0.83 0.09 0.00 1.34 0.00 0.00 72.50 73.10 1bw4 s THR 49 CO 0.00 0.01 1.19 0.00 -0.54 0.00 0.00 174.62 175.28 1bw4 s ALA 50 N 1.11 2.61 -0.02 3.99 0.00 -1.23 -0.12 121.76 128.10 1bw4 s ALA 50 Ca -0.06 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.09 1bw4 s ALA 50 Cb -0.06 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.13 1bw4 s ALA 50 CO -0.11 -1.74 0.25 0.12 0.00 0.00 0.00 175.76 174.28 1bw4 s PHE 51 N -3.60 -0.12 -0.03 0.00 2.19 0.33 -2.52 117.98 114.23 1bw4 s PHE 51 Ca 0.63 0.19 -0.06 0.00 0.33 0.00 0.00 56.93 58.02 1bw4 s PHE 51 Cb -0.11 0.05 -0.03 0.00 -1.31 0.00 0.00 43.02 41.63 1bw4 s PHE 51 CO 0.49 -0.33 -0.13 0.00 1.83 0.00 0.00 175.22 177.09 1bw4 n GLY 53 N 2.66 0.62 0.19 0.00 0.00 -1.26 -4.74 105.19 102.66 1bw4 n GLY 53 Ca -0.09 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 -5.81 1.61 0.13 -2.00 -3.45 132.00 122.48 1bw4 h PRO 54 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 1bw4 h PRO 54 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1bw4 h PRO 54 CO 0.00 0.04 2.02 0.00 -0.23 0.00 0.00 178.00 179.83 1bw4 s ALA 55 N -3.22 3.27 -0.33 -0.56 0.00 -1.26 -4.60 121.76 115.06 1bw4 s ALA 55 Ca 0.05 -2.84 -0.06 0.00 0.00 0.00 0.00 51.96 49.11 1bw4 s ALA 55 Cb 0.06 -4.59 0.24 0.00 0.00 0.00 0.00 23.12 18.83 1bw4 s ALA 55 CO 0.70 -3.31 1.17 0.41 0.00 0.00 0.00 175.76 174.74 1bw4 n GLY 56 N 5.55 -1.80 3.55 0.00 0.00 -1.26 -4.63 105.19 106.61 1bw4 n GLY 56 Ca 0.45 1.25 -0.41 0.00 0.00 0.00 0.00 46.02 47.31 1bw4 n GLY 56 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bw4 s PRO 57 N 0.67 3.10 -0.04 1.61 0.02 -1.26 -4.83 135.00 134.27 1bw4 s PRO 57 Ca 0.24 0.02 0.02 0.00 0.02 0.00 0.00 61.00 61.30 1bw4 s PRO 57 Cb 0.16 -4.21 0.01 0.00 0.02 0.00 0.00 34.50 30.48 1bw4 s PRO 57 CO -0.10 -2.23 -0.07 -0.98 -0.33 0.00 0.00 177.00 173.29 1bw4 s ARG 58 N 5.95 0.93 0.00 5.54 3.03 -1.26 -4.78 118.95 128.36 1bw4 s ARG 58 Ca 0.44 -0.21 0.00 0.00 2.03 0.00 0.00 55.73 57.98 1bw4 s ARG 58 Cb -0.09 -0.88 0.00 0.00 -1.03 0.00 0.00 34.95 32.95 1bw4 s ARG 58 CO 0.18 0.02 0.00 0.41 -1.13 0.00 0.00 175.30 174.77 1bw4 n GLY 59 N 3.66 5.00 0.09 3.88 0.00 -1.26 -4.96 105.19 111.59 1bw4 n GLY 59 Ca -0.22 -1.46 -0.01 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 -0.07 0.00 1.61 6.02 -1.26 0.66 117.38 124.34 1bw4 n GLN 60 Ca 0.00 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1bw4 n GLN 60 Cb 0.00 -0.48 0.00 0.00 1.02 0.00 0.00 30.24 30.78 1bw4 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw4 n ALA 61 N -3.86 1.22 0.58 -1.58 0.00 -1.26 -1.30 120.51 114.30 1bw4 n ALA 61 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1bw4 n ALA 61 Cb 0.07 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1bw4 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n ALA 62 N -0.33 3.55 -1.75 0.00 0.00 0.21 -4.86 120.51 117.33 1bw4 n ALA 62 Ca 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 53.44 52.82 1bw4 n ALA 62 Cb 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 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 5.75 0.21 3.32 0.00 0.00 -1.26 -5.17 105.19 108.05 1bw4 n GLY 64 Ca 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 1bw4 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw4 s LYS 65 N 0.00 1.43 0.39 1.61 1.02 -0.63 -4.74 119.74 118.82 1bw4 s LYS 65 Ca 0.00 -1.77 0.04 0.00 0.02 0.00 0.00 55.97 54.25 1bw4 s LYS 65 Cb 0.00 -0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.01 1bw4 s LYS 65 CO 0.00 -0.30 0.12 0.00 -0.92 0.00 0.00 175.35 174.25 1bw4 s LEU 67 N -3.59 1.76 -0.23 0.00 0.20 -0.39 -0.92 118.68 115.51 1bw4 s LEU 67 Ca 0.26 -0.18 -0.09 0.00 0.69 0.00 0.00 54.13 54.81 1bw4 s LEU 67 Cb 0.03 -0.53 -0.04 0.00 -0.43 0.00 0.00 46.19 45.22 1bw4 s LEU 67 CO 0.15 0.05 0.11 -0.60 -0.29 0.00 0.00 176.35 175.77 1bw4 s ARG 68 N 0.25 3.94 -0.05 1.98 3.52 0.29 0.14 118.95 129.03 1bw4 s ARG 68 Ca -0.04 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 1bw4 s ARG 68 Cb -0.09 -3.41 -0.00 0.00 -1.56 0.00 0.00 34.95 29.89 1bw4 s ARG 68 CO 0.00 0.05 -0.18 0.08 -0.81 0.00 0.00 175.30 174.45 1bw4 s VAL 69 N 1.03 1.50 0.07 7.11 1.01 -0.12 -1.22 120.40 129.79 1bw4 s VAL 69 Ca 0.06 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.34 1bw4 s VAL 69 Cb -0.14 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1bw4 s VAL 69 CO 0.04 0.43 -0.15 -0.89 0.00 0.00 0.00 175.10 174.53 1bw4 s THR 70 N 0.06 1.16 -0.77 3.92 2.01 -0.24 -0.41 115.64 121.37 1bw4 s THR 70 Ca -0.05 -1.31 0.03 0.00 0.31 0.00 0.00 61.69 60.67 1bw4 s THR 70 Cb -0.12 -1.11 0.24 0.00 0.01 0.00 0.00 72.50 71.52 1bw4 s THR 70 CO 0.03 -0.20 0.82 -3.20 -0.69 0.00 0.00 174.62 171.38 1bw4 n ASN 71 N 1.30 4.13 -0.33 3.53 4.05 0.10 -0.74 115.26 127.30 1bw4 n ASN 71 Ca -0.21 -3.34 -0.03 0.00 0.45 0.00 0.00 54.58 51.46 1bw4 n ASN 71 Cb 0.54 -0.85 0.01 0.00 1.23 0.00 0.00 39.78 40.71 1bw4 n ASN 71 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1bw4 n PRO 72 N 1.41 -0.23 -0.38 1.20 -0.02 -1.26 -0.76 135.00 134.95 1bw4 n PRO 72 Ca 0.26 1.31 0.34 0.00 -2.02 0.00 0.00 63.50 63.39 1bw4 n PRO 72 Cb 0.38 -1.94 0.57 0.00 -0.02 0.00 0.00 33.50 32.49 1bw4 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 n ALA 73 N -3.51 1.13 -0.06 3.55 0.00 -1.26 -1.04 120.51 119.33 1bw4 n ALA 73 Ca 0.07 0.78 -0.07 0.00 0.00 0.00 0.00 53.44 54.23 1bw4 n ALA 73 Cb 0.32 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1bw4 n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bw4 n THR 74 N -4.55 0.68 0.00 0.00 -2.24 0.06 -5.00 114.28 103.23 1bw4 n THR 74 Ca 0.35 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1bw4 n THR 74 Cb 1.32 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 2.73 0.55 3.78 3.38 0.00 -0.20 -5.09 105.19 110.34 1bw4 n GLY 75 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 2.61 0.04 4.61 0.00 -1.25 -4.78 121.76 120.99 1bw4 s ALA 76 Ca 0.00 0.66 -0.20 0.00 0.00 0.00 0.00 51.96 52.42 1bw4 s ALA 76 Cb 0.00 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.83 1bw4 s ALA 76 CO 0.00 -0.98 0.45 1.14 0.00 0.00 0.00 175.76 176.37 1bw4 s GLN 77 N -3.70 0.96 0.21 0.00 -2.07 -1.26 0.00 119.66 113.79 1bw4 s GLN 77 Ca 0.69 -0.31 -0.11 0.00 -1.82 0.00 0.00 55.36 53.81 1bw4 s GLN 77 Cb -0.21 0.43 -0.00 0.00 -1.09 0.00 0.00 33.01 32.13 1bw4 s GLN 77 CO 0.34 -0.34 0.39 -1.50 -1.32 0.00 0.00 175.29 172.86 1bw4 s ILE 78 N -2.44 0.03 -0.13 3.63 1.10 0.45 -4.92 121.20 118.92 1bw4 s ILE 78 Ca -0.05 -1.34 0.02 0.00 -0.51 0.00 0.00 60.65 58.76 1bw4 s ILE 78 Cb -0.01 -1.99 0.02 0.00 0.15 0.00 0.00 42.46 40.62 1bw4 s ILE 78 CO -0.02 -0.13 -0.17 -0.89 -2.11 0.00 0.00 174.94 171.62 1bw4 s THR 79 N -3.99 1.68 0.51 4.00 2.01 -1.26 -0.95 115.64 117.65 1bw4 s THR 79 Ca 0.20 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1bw4 s THR 79 Cb 0.01 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 71.01 1bw4 s THR 79 CO 0.04 0.48 0.76 0.00 -0.69 0.00 0.00 174.62 175.21 1bw4 s ALA 80 N 1.06 3.64 -0.24 7.40 0.00 0.12 -3.38 121.76 130.36 1bw4 s ALA 80 Ca -0.04 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 1bw4 s ALA 80 Cb -0.15 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 20.73 1bw4 s ALA 80 CO -0.04 -0.59 -0.05 0.50 0.00 0.00 0.00 175.76 175.58 1bw4 s ARG 81 N -4.73 3.00 0.28 0.00 3.52 -1.26 -1.26 118.95 118.50 1bw4 s ARG 81 Ca 0.52 -0.87 -0.29 0.00 -0.13 0.00 0.00 55.73 54.96 1bw4 s ARG 81 Cb -0.10 -3.00 -0.10 0.00 -1.56 0.00 0.00 34.95 30.19 1bw4 s ARG 81 CO 0.40 -0.34 1.40 0.42 -0.81 0.00 0.00 175.30 176.37 1bw4 s ILE 82 N 1.38 2.65 0.09 4.11 1.01 0.59 0.12 121.20 131.15 1bw4 s ILE 82 Ca 0.02 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.25 1bw4 s ILE 82 Cb -0.16 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1bw4 s ILE 82 CO -0.04 0.11 0.00 0.52 0.00 0.00 0.00 174.94 175.53 1bw4 n VAL 83 N 1.70 0.17 -3.07 2.92 0.31 0.83 -4.70 118.33 116.49 1bw4 n VAL 83 Ca 0.04 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1bw4 n VAL 83 Cb 0.41 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 1bw4 n VAL 83 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1bw4 n ASP 84 N -3.00 0.42 -4.60 4.52 2.03 -1.17 -4.17 116.55 110.57 1bw4 n ASP 84 Ca 0.00 -0.07 -0.23 0.00 0.52 0.00 0.00 54.79 55.01 1bw4 n ASP 84 Cb 0.10 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.42 1bw4 n ASP 84 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1bw4 s GLN 85 N 0.79 2.14 0.05 -0.67 0.74 -1.26 0.12 119.66 121.58 1bw4 s GLN 85 Ca 0.00 -1.51 0.01 0.00 0.05 0.00 0.00 55.36 53.91 1bw4 s GLN 85 Cb 0.00 -2.06 0.01 0.00 1.10 0.00 0.00 33.01 32.05 1bw4 s GLN 85 CO 0.00 0.35 0.04 0.00 -0.55 0.00 0.00 175.29 175.13 1bw4 n ALA 87 N -2.89 2.53 -3.23 0.00 0.00 -1.26 -4.81 120.51 110.85 1bw4 n ALA 87 Ca -0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 1bw4 n ALA 87 Cb 0.06 0.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 1bw4 n ALA 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bw4 s ASN 88 N -5.63 -0.19 0.00 0.00 2.20 -1.26 -5.08 114.94 104.97 1bw4 s ASN 88 Ca -0.04 -0.60 0.00 0.00 -0.94 0.00 0.00 52.86 51.28 1bw4 s ASN 88 Cb 0.01 0.56 0.00 0.00 -2.00 0.00 0.00 41.25 39.82 1bw4 s ASN 88 CO 0.06 -1.05 0.00 0.61 -2.94 0.00 0.00 177.10 173.78 1bw4 n GLY 89 N -0.33 0.01 3.73 0.45 0.00 -1.26 -4.50 105.19 103.29 1bw4 n GLY 89 Ca -0.08 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 1bw4 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bw4 s GLY 90 N 0.00 2.75 -0.94 -0.02 0.00 -1.24 -4.63 107.32 103.25 1bw4 s GLY 90 Ca 0.00 1.13 -0.05 0.00 0.00 0.00 0.00 44.72 45.80 1bw4 s GLY 90 CO 0.00 1.55 2.61 1.47 0.00 0.00 0.00 173.10 178.73 1bw4 n LEU 91 N -2.03 7.35 -3.89 0.66 -0.00 -1.26 -2.59 117.00 115.23 1bw4 n LEU 91 Ca 0.15 -4.48 -0.03 0.00 -0.00 0.00 0.00 56.01 51.64 1bw4 n LEU 91 Cb 0.49 -1.32 0.02 0.00 -0.00 0.00 0.00 43.42 42.61 1bw4 n LEU 91 CO 0.47 1.92 0.81 1.51 -0.00 0.00 0.00 177.39 182.10 1bw4 s ASP 92 N 0.48 0.01 -0.67 1.45 1.47 -1.13 -2.57 116.67 115.71 1bw4 s ASP 92 Ca 0.57 -0.70 0.06 0.00 1.18 0.00 0.00 52.55 53.66 1bw4 s ASP 92 Cb 0.27 0.51 0.21 0.00 -0.34 0.00 0.00 42.92 43.57 1bw4 s ASP 92 CO -0.14 -1.01 0.62 0.00 0.68 0.00 0.00 175.17 175.31 1bw4 n LEU 93 N -0.71 3.30 0.00 2.11 -0.00 -1.05 -0.14 117.00 120.52 1bw4 n LEU 93 Ca -0.03 -5.31 0.00 0.00 -0.00 0.00 0.00 56.01 50.67 1bw4 n LEU 93 Cb 0.59 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1bw4 n LEU 93 CO 0.21 1.91 0.00 -0.67 -0.00 0.00 0.00 177.39 178.84 1bw4 n ASP 94 N 1.42 0.00 0.00 1.45 2.03 1.00 -3.48 116.55 118.96 1bw4 n ASP 94 Ca 0.25 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1bw4 n ASP 94 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1bw4 n TRP 95 N 0.00 0.00 0.01 -0.67 -0.00 -1.26 -4.36 117.44 111.16 1bw4 n TRP 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1bw4 n TRP 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 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 1.76 0.12 -0.04 5.87 2.03 -1.26 -4.58 116.55 120.44 1bw4 n ASP 96 Ca 0.00 0.02 -0.01 0.00 0.52 0.00 0.00 54.79 55.32 1bw4 n ASP 96 Cb 0.00 -0.03 -0.00 0.00 -0.72 0.00 0.00 41.12 40.36 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 -2.61 -0.06 0.00 5.18 -2.24 -1.26 -2.04 114.28 111.24 1bw4 n THR 97 Ca 0.00 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1bw4 n THR 97 Cb 0.00 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 -4.15 0.00 0.00 2.28 0.31 -1.26 -4.33 118.33 111.18 1bw4 n VAL 98 Ca 0.01 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 1bw4 n VAL 98 Cb 0.04 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1bw4 n VAL 98 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1bw4 n PHE 99 N -1.67 0.00 0.27 3.52 3.01 -1.23 0.04 117.46 121.40 1bw4 n PHE 99 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 1bw4 n PHE 99 Cb 0.00 -0.31 0.75 0.00 -0.01 0.00 0.00 39.48 39.90 1bw4 n PHE 99 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1bw4 h THR 100 N 0.00 0.68 0.03 4.37 1.35 -1.81 -2.92 112.91 114.62 1bw4 h THR 100 Ca 0.00 -0.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1bw4 h THR 100 Cb 0.00 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1bw4 h THR 100 CO 0.00 0.08 -0.01 0.11 -0.25 0.00 0.00 175.52 175.45 1bw4 h LYS 101 N 0.00 -0.04 0.74 4.72 1.79 -1.37 -3.36 116.57 119.05 1bw4 h LYS 101 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1bw4 h LYS 101 Cb 0.20 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1bw4 h LYS 101 CO 0.01 0.55 -0.41 -0.84 -1.08 0.00 0.00 179.45 177.68 1bw4 h ILE 102 N -0.67 0.17 0.00 1.86 3.07 -0.20 -3.49 117.51 118.26 1bw4 h ILE 102 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1bw4 h ILE 102 Cb 0.61 0.17 0.00 0.00 -0.27 0.00 0.00 36.82 37.33 1bw4 h ILE 102 CO 0.01 0.00 0.00 -0.67 -1.05 0.00 0.00 178.15 176.44 1bw4 n ASP 103 N -5.56 3.11 0.00 2.16 2.03 -1.17 -4.55 116.55 112.58 1bw4 n ASP 103 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1bw4 n ASP 103 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1bw4 n ASP 103 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1bw4 n THR 104 N 0.00 0.00 -1.54 5.18 -2.24 -1.26 -4.15 114.28 110.28 1bw4 n THR 104 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1bw4 n THR 104 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.01 0.00 -2.87 3.42 6.94 -1.26 -5.01 115.26 116.48 1bw4 n ASN 105 Ca 0.00 -1.00 -0.12 0.00 -0.02 0.00 0.00 54.58 53.44 1bw4 n ASN 105 Cb 0.00 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.48 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 0.00 -0.44 0.00 4.83 0.00 -1.26 -4.65 105.19 103.67 1bw4 n GLY 106 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.13 0.00 -0.25 -0.61 2.08 -1.26 -0.48 119.36 115.71 1bw4 n ILE 107 Ca -0.14 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.30 1bw4 n ILE 107 Cb 0.61 0.00 0.25 0.00 -0.75 0.00 0.00 39.64 39.76 1bw4 n ILE 107 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1bw4 n GLY 108 N -0.78 -0.89 0.33 7.39 0.00 -1.22 0.21 105.19 110.24 1bw4 n GLY 108 Ca 0.00 0.68 0.26 0.00 0.00 0.00 0.00 46.02 46.96 1bw4 n GLY 108 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1bw4 h TYR 109 N 0.00 0.90 0.00 1.61 3.20 -1.04 0.62 116.97 122.26 1bw4 h TYR 109 Ca 0.47 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 62.23 1bw4 h TYR 109 Cb 1.04 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 1bw4 h TYR 109 CO -0.30 -0.24 -0.72 1.96 -1.64 0.00 0.00 178.16 177.22 1bw4 h GLN 110 N 0.25 0.00 0.00 1.82 4.20 -0.48 -3.38 115.11 117.53 1bw4 h GLN 110 Ca 0.76 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.39 1bw4 h GLN 110 Cb 1.81 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.57 1bw4 h GLN 110 CO -0.64 0.72 -1.60 0.94 -0.67 0.00 0.00 178.83 177.59 1bw4 n GLN 111 N -3.48 1.17 0.00 1.46 -0.06 0.40 -5.02 117.38 111.84 1bw4 n GLN 111 Ca -0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 1bw4 n GLN 111 Cb 0.75 -1.27 0.00 0.00 -4.06 0.00 0.00 30.24 25.67 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bw4 n GLY 112 N 2.07 1.41 3.57 1.69 0.00 0.19 -5.08 105.19 109.03 1bw4 n GLY 112 Ca -0.08 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.57 0.73 0.38 1.61 -3.43 -1.14 -4.30 115.29 108.58 1bw4 s HIS 113 Ca 0.00 -1.07 0.05 0.00 -0.80 0.00 0.00 55.06 53.24 1bw4 s HIS 113 Cb 0.00 0.14 -0.02 0.00 -1.43 0.00 0.00 32.58 31.26 1bw4 s HIS 113 CO 0.00 -1.17 0.20 -1.17 -2.00 0.00 0.00 174.74 170.60 1bw4 s LEU 114 N -3.15 1.88 -0.11 5.38 2.96 0.84 -3.42 118.68 123.06 1bw4 s LEU 114 Ca 0.26 -1.73 0.01 0.00 -0.22 0.00 0.00 54.13 52.45 1bw4 s LEU 114 Cb -0.01 0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.88 1bw4 s LEU 114 CO 0.16 -1.01 -0.14 0.21 -1.32 0.00 0.00 176.35 174.26 1bw4 s ASN 115 N -3.52 2.39 0.22 3.68 3.84 -1.26 0.63 114.94 120.93 1bw4 s ASN 115 Ca 0.30 -0.41 0.00 0.00 0.21 0.00 0.00 52.86 52.97 1bw4 s ASN 115 Cb 0.02 -1.05 -0.04 0.00 -0.55 0.00 0.00 41.25 39.63 1bw4 s ASN 115 CO 0.20 -0.02 0.15 0.68 -2.79 0.00 0.00 177.10 175.32 1bw4 s VAL 116 N 1.16 0.05 -0.14 -5.21 -7.23 0.20 -4.49 120.40 104.72 1bw4 s VAL 116 Ca -0.03 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.12 1bw4 s VAL 116 Cb -0.14 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 1bw4 s VAL 116 CO -0.04 0.00 -0.09 0.20 -0.31 0.00 0.00 175.10 174.86 1bw4 s ASN 117 N -3.20 4.28 -0.04 4.85 0.01 0.08 -0.92 114.94 120.00 1bw4 s ASN 117 Ca 0.39 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1bw4 s ASN 117 Cb 0.06 -1.67 0.03 0.00 0.41 0.00 0.00 41.25 40.08 1bw4 s ASN 117 CO 0.14 0.15 -0.01 -0.72 -1.51 0.00 0.00 177.10 175.16 1bw4 s TYR 118 N 0.44 0.45 -0.03 2.20 -0.85 -0.31 -1.08 117.35 118.17 1bw4 s TYR 118 Ca -0.07 -0.06 0.04 0.00 -0.52 0.00 0.00 57.07 56.46 1bw4 s TYR 118 Cb -0.15 -0.53 -0.00 0.00 0.38 0.00 0.00 41.96 41.65 1bw4 s TYR 118 CO 0.04 -0.18 -0.14 -0.65 -1.52 0.00 0.00 175.55 173.10 1bw4 s GLN 119 N 1.22 1.42 0.46 -3.49 -1.52 -0.35 -1.46 119.66 115.93 1bw4 s GLN 119 Ca -0.07 -0.50 -0.25 0.00 -1.95 0.00 0.00 55.36 52.59 1bw4 s GLN 119 Cb -0.13 -1.28 -0.08 0.00 -0.22 0.00 0.00 33.01 31.30 1bw4 s GLN 119 CO -0.02 0.22 1.42 -0.06 -0.25 0.00 0.00 175.29 176.60 1bw4 s PHE 120 N 0.00 2.46 -0.11 0.91 0.40 -1.06 -0.55 117.98 120.03 1bw4 s PHE 120 Ca -0.01 1.28 -0.10 0.00 -0.60 0.00 0.00 56.93 57.49 1bw4 s PHE 120 Cb -0.09 -3.90 0.03 0.00 0.51 0.00 0.00 43.02 39.57 1bw4 s PHE 120 CO 0.01 -2.90 0.30 0.54 0.70 0.00 0.00 175.22 173.86 1bw4 s VAL 121 N -1.21 -0.01 0.04 -0.44 0.11 -0.10 -4.70 120.40 114.09 1bw4 s VAL 121 Ca 0.62 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.50 1bw4 s VAL 121 Cb -0.43 -0.42 -0.06 0.00 -1.53 0.00 0.00 36.38 33.94 1bw4 s VAL 121 CO 0.55 0.01 0.54 -0.62 -3.33 0.00 0.00 175.10 172.25 1bw4 s ASP 122 N 0.32 6.98 -0.05 3.54 -1.08 -1.26 -0.46 116.67 124.67 1bw4 s ASP 122 Ca -0.01 1.16 0.09 0.00 -0.52 0.00 0.00 52.55 53.27 1bw4 s ASP 122 Cb -0.03 -2.33 -0.24 0.00 -1.46 0.00 0.00 42.92 38.86 1bw4 s ASP 122 CO -0.01 0.25 0.66 0.00 0.52 0.00 0.00 175.17 176.58 1bw4 n ARG 124 N -3.13 -0.69 0.00 0.00 0.63 -1.26 -5.11 116.66 107.10 1bw4 n ARG 124 Ca -0.18 0.03 0.06 0.00 -0.92 0.00 0.00 57.85 56.84 1bw4 n ARG 124 Cb 1.05 -0.92 0.34 0.00 0.45 0.00 0.00 32.46 33.37 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65