#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 0.91 0.09 3.44 -0.21 -1.26 -1.17 119.66 121.45 1bw4 s GLN 2 Ca 0.00 -1.35 0.02 0.00 0.02 0.00 0.00 55.36 54.05 1bw4 s GLN 2 Cb 0.00 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.79 1bw4 s GLN 2 CO 0.00 -1.02 -0.07 0.00 -2.12 0.00 0.00 175.29 172.08 1bw4 s ALA 3 N 1.29 0.93 0.39 6.09 0.00 -1.06 -5.06 121.76 124.34 1bw4 s ALA 3 Ca 0.12 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.89 1bw4 s ALA 3 Cb -0.19 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1bw4 s ALA 3 CO -0.18 -0.17 0.18 0.27 0.00 0.00 0.00 175.76 175.86 1bw4 n ASN 4 N 0.28 0.71 -3.96 0.00 0.23 -1.26 -1.88 115.26 109.37 1bw4 n ASN 4 Ca -0.14 -3.18 -0.32 0.00 -0.53 0.00 0.00 54.58 50.40 1bw4 n ASN 4 Cb 0.59 1.21 0.00 0.00 -2.08 0.00 0.00 39.78 39.50 1bw4 n ASN 4 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1bw4 n ASP 5 N -1.57 -2.31 -4.57 0.53 8.00 -1.21 -4.94 116.55 110.49 1bw4 n ASP 5 Ca -0.02 -0.93 -0.34 0.00 0.71 0.00 0.00 54.79 54.21 1bw4 n ASP 5 Cb 0.61 -1.12 -0.11 0.00 -0.02 0.00 0.00 41.12 40.48 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 -3.96 3.71 -0.37 2.53 1.01 -0.60 -4.93 120.40 117.79 1bw4 s VAL 6 Ca 0.30 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1bw4 s VAL 6 Cb -0.17 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1bw4 s VAL 6 CO 0.70 0.59 0.92 -0.13 0.00 0.00 0.00 175.10 177.17 1bw4 s ARG 7 N -0.70 3.82 -0.06 2.72 0.52 -1.26 -0.83 118.95 123.15 1bw4 s ARG 7 Ca 0.11 0.54 0.03 0.00 -0.52 0.00 0.00 55.73 55.88 1bw4 s ARG 7 Cb -0.11 -3.81 -0.03 0.00 0.52 0.00 0.00 34.95 31.52 1bw4 s ARG 7 CO 0.02 -0.96 -0.13 0.00 0.02 0.00 0.00 175.30 174.25 1bw4 s ALA 8 N 3.46 2.71 0.00 2.13 0.00 0.71 -4.86 121.76 125.92 1bw4 s ALA 8 Ca 0.38 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1bw4 s ALA 8 Cb -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1bw4 s ALA 8 CO 0.19 0.53 0.00 0.25 0.00 0.00 0.00 175.76 176.73 1bw4 n THR 9 N 2.39 0.00 -2.97 0.00 -2.24 -1.26 -1.50 114.28 108.69 1bw4 n THR 9 Ca -0.17 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1bw4 n THR 9 Cb 0.52 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.00 -2.66 -3.22 4.78 0.18 -1.26 -3.67 117.16 111.31 1bw4 n TYR 10 Ca 0.00 -2.16 -0.46 0.00 1.88 0.00 0.00 57.90 57.16 1bw4 n TYR 10 Cb 0.00 1.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.94 1bw4 n TYR 10 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1bw4 s HIS 11 N 0.44 3.63 0.02 -3.48 2.46 0.39 -4.89 115.29 113.86 1bw4 s HIS 11 Ca 0.32 -1.89 -0.01 0.00 0.47 0.00 0.00 55.06 53.94 1bw4 s HIS 11 Cb 0.06 -3.95 -0.04 0.00 -0.13 0.00 0.00 32.58 28.52 1bw4 s HIS 11 CO -0.13 -1.12 0.17 1.52 -2.47 0.00 0.00 174.74 172.71 1bw4 s TYR 12 N 0.73 3.48 -0.18 3.88 -0.85 -1.25 -3.12 117.35 120.04 1bw4 s TYR 12 Ca 0.23 0.28 -0.10 0.00 -0.52 0.00 0.00 57.07 56.96 1bw4 s TYR 12 Cb -0.09 -1.78 -0.05 0.00 0.38 0.00 0.00 41.96 40.43 1bw4 s TYR 12 CO -0.09 0.61 0.16 0.71 -1.52 0.00 0.00 175.55 175.42 1bw4 s TYR 13 N -1.37 3.45 0.00 -3.49 1.51 -0.96 -4.87 117.35 111.62 1bw4 s TYR 13 Ca 0.29 0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.76 1bw4 s TYR 13 Cb -0.13 -2.16 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1bw4 s TYR 13 CO 0.21 0.35 0.00 0.54 -1.11 0.00 0.00 175.55 175.55 1bw4 n ARG 14 N 3.28 0.00 0.00 -0.62 5.12 -1.26 -1.62 116.66 121.57 1bw4 n ARG 14 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 1bw4 n ARG 14 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 1bw4 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1bw4 n PRO 15 N -1.96 0.00 0.02 5.56 -0.04 -1.18 -4.71 135.00 132.68 1bw4 n PRO 15 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1bw4 n PRO 15 Cb 0.00 -0.36 0.02 0.00 -0.04 0.00 0.00 33.50 33.12 1bw4 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 n ALA 16 N -2.45 0.05 -0.37 0.55 0.00 -1.26 -2.87 120.51 114.15 1bw4 n ALA 16 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 1bw4 n ALA 16 Cb 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 19.45 19.46 1bw4 n ALA 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bw4 n GLN 17 N -1.04 -0.23 -2.77 0.00 -0.06 -1.26 0.93 117.38 112.95 1bw4 n GLN 17 Ca 0.01 1.48 -0.28 0.00 -2.00 0.00 0.00 57.00 56.21 1bw4 n GLN 17 Cb 0.16 -2.19 -0.02 0.00 -4.06 0.00 0.00 30.24 24.13 1bw4 n GLN 17 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1bw4 n ASN 18 N -5.40 4.78 -4.21 1.69 2.85 -1.16 -4.86 115.26 108.96 1bw4 n ASN 18 Ca 0.09 -3.70 -0.33 0.00 -0.11 0.00 0.00 54.58 50.53 1bw4 n ASN 18 Cb 0.38 -0.57 -0.06 0.00 1.24 0.00 0.00 39.78 40.76 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 -0.31 -0.28 -3.55 1.20 2.85 0.27 0.76 115.26 116.20 1bw4 n ASN 19 Ca 0.35 -1.24 -0.22 0.00 -0.11 0.00 0.00 54.58 53.37 1bw4 n ASN 19 Cb 0.46 -1.87 0.02 0.00 1.24 0.00 0.00 39.78 39.63 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 -4.64 -2.23 0.00 1.20 7.02 -1.14 -3.67 117.44 113.99 1bw4 n TRP 20 Ca -0.28 0.73 0.00 0.00 -1.02 0.00 0.00 57.50 56.93 1bw4 n TRP 20 Cb 0.67 -3.45 0.00 0.00 -2.42 0.00 0.00 31.31 26.12 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 -2.44 0.00 0.00 -0.99 -0.08 0.23 -4.70 116.55 108.57 1bw4 n ASP 21 Ca -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 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 0.00 0.00 -2.57 -2.67 7.99 -1.24 -2.85 117.00 115.66 1bw4 n LEU 22 Ca 0.00 0.35 -0.32 0.00 -0.01 0.00 0.00 56.01 56.03 1bw4 n LEU 22 Cb 0.00 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.34 1bw4 n LEU 22 CO 0.00 0.00 0.81 0.61 -1.51 0.00 0.00 177.39 177.30 1bw4 n GLY 23 N -0.78 5.87 3.75 -0.72 0.00 -1.26 -0.85 105.19 111.20 1bw4 n GLY 23 Ca 0.00 -2.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.01 1bw4 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 s ALA 24 N -3.77 3.35 0.43 4.61 0.00 -1.13 -4.72 121.76 120.53 1bw4 s ALA 24 Ca 0.52 0.39 0.34 0.00 0.00 0.00 0.00 51.96 53.21 1bw4 s ALA 24 Cb 0.43 -3.07 1.45 0.00 0.00 0.00 0.00 23.12 21.92 1bw4 s ALA 24 CO -0.23 0.09 1.47 -2.30 0.00 0.00 0.00 175.76 174.80 1bw4 n PRO 25 N 2.49 -0.03 0.00 0.00 -0.01 -1.26 -0.26 135.00 135.93 1bw4 n PRO 25 Ca -0.02 1.16 0.14 0.00 -0.01 0.00 0.00 63.50 64.76 1bw4 n PRO 25 Cb 0.49 -2.34 0.53 0.00 -0.01 0.00 0.00 33.50 32.18 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 -2.59 2.71 0.05 3.55 0.00 -1.26 -4.63 120.51 118.34 1bw4 n ALA 26 Ca 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1bw4 n ALA 26 Cb 1.56 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.42 0.19 -2.25 0.00 0.31 0.65 -5.09 118.33 110.72 1bw4 n VAL 27 Ca 0.08 0.06 -0.14 0.00 -0.01 0.00 0.00 64.34 64.33 1bw4 n VAL 27 Cb 0.32 -0.88 0.01 0.00 -0.91 0.00 0.00 33.84 32.39 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 -3.03 -3.22 -4.73 4.52 3.41 -0.17 -4.86 113.62 105.55 1bw4 n SER 28 Ca 0.00 0.02 -0.37 0.00 -0.26 0.00 0.00 58.87 58.26 1bw4 n SER 28 Cb 0.10 -0.87 0.07 0.00 -0.26 0.00 0.00 64.21 63.25 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 -0.71 2.34 0.00 7.33 0.00 -0.03 -4.88 121.76 125.81 1bw4 s ALA 29 Ca 0.14 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1bw4 s ALA 29 Cb -0.01 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1bw4 s ALA 29 CO 0.32 -1.63 0.61 0.98 0.00 0.00 0.00 175.76 176.04 1bw4 n TYR 30 N -2.00 0.00 0.33 0.00 4.19 -1.25 -0.47 117.16 117.96 1bw4 n TYR 30 Ca 0.16 0.00 0.15 0.00 3.31 0.00 0.00 57.90 61.52 1bw4 n TYR 30 Cb 0.48 -0.25 0.62 0.00 0.49 0.00 0.00 39.34 40.68 1bw4 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw4 h ALA 32 N 2.12 0.19 -1.19 0.00 0.00 -1.02 0.23 119.26 119.59 1bw4 h ALA 32 Ca 0.00 0.15 0.40 0.00 0.00 0.00 0.00 54.91 55.46 1bw4 h ALA 32 Cb 0.43 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 18.49 1bw4 h ALA 32 CO 0.00 -0.50 0.78 2.41 0.00 0.00 0.00 179.25 181.94 1bw4 n THR 33 N -5.34 -0.18 -0.03 0.00 -1.04 -1.20 0.14 114.28 106.62 1bw4 n THR 33 Ca 0.02 1.45 -0.04 0.00 -2.04 0.00 0.00 64.05 63.44 1bw4 n THR 33 Cb 0.25 -2.38 -0.03 0.00 -1.82 0.00 0.00 70.33 66.35 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 -4.25 0.00 0.03 -1.42 8.01 -0.78 -4.78 117.44 114.24 1bw4 n TRP 34 Ca 0.34 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.43 1bw4 n TRP 34 Cb 1.33 -0.25 -0.13 0.00 -2.01 0.00 0.00 31.31 30.25 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 0.00 0.07 -0.57 -0.99 5.19 -0.10 -3.34 116.42 116.68 1bw4 h ASP 35 Ca -0.14 -0.09 0.17 0.00 -0.62 0.00 0.00 57.03 56.34 1bw4 h ASP 35 Cb 1.26 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.72 1bw4 h ASP 35 CO -0.01 1.08 0.75 0.00 -3.12 0.00 0.00 179.24 177.94 1bw4 h ALA 36 N 0.91 2.34 0.00 3.45 0.00 -0.45 0.20 119.26 125.71 1bw4 h ALA 36 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1bw4 h ALA 36 Cb 1.90 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1bw4 h ALA 36 CO 0.12 -1.05 0.00 -1.13 0.00 0.00 0.00 179.25 177.19 1bw4 n SER 37 N -3.37 0.12 -4.84 0.00 3.41 -1.25 -4.86 113.62 102.83 1bw4 n SER 37 Ca 0.12 0.52 -0.36 0.00 -0.26 0.00 0.00 58.87 58.89 1bw4 n SER 37 Cb 0.95 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 1bw4 n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bw4 s LYS 38 N -3.02 4.00 0.74 4.33 3.01 0.71 -5.05 119.74 124.46 1bw4 s LYS 38 Ca 0.12 0.52 -0.16 0.00 -1.01 0.00 0.00 55.97 55.43 1bw4 s LYS 38 Cb 0.16 -2.95 -0.08 0.00 -1.01 0.00 0.00 37.83 33.95 1bw4 s LYS 38 CO 0.48 0.49 0.14 -0.35 0.51 0.00 0.00 175.35 176.62 1bw4 n PRO 39 N 0.86 0.14 0.07 -1.68 -0.04 -1.26 -4.74 135.00 128.35 1bw4 n PRO 39 Ca -0.06 0.07 0.06 0.00 -0.04 0.00 0.00 63.50 63.54 1bw4 n PRO 39 Cb 0.52 -1.51 0.50 0.00 -0.04 0.00 0.00 33.50 32.97 1bw4 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw4 h LEU 40 N -0.50 0.31 0.01 1.53 -0.00 -1.96 -2.73 115.31 111.98 1bw4 h LEU 40 Ca -0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 1bw4 h LEU 40 Cb 1.36 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.94 1bw4 h LEU 40 CO 0.38 0.22 -0.03 0.28 -0.00 0.00 0.00 178.44 179.30 1bw4 h SER 41 N 0.37 -0.08 -0.12 -0.43 0.02 -1.99 0.14 113.55 111.46 1bw4 h SER 41 Ca 0.11 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1bw4 h SER 41 Cb 0.01 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 1bw4 h SER 41 CO -0.02 -0.03 -0.22 -0.25 -1.14 0.00 0.00 176.83 175.17 1bw4 h TRP 42 N -0.04 -0.58 -0.71 3.45 7.01 -1.90 0.19 115.95 123.36 1bw4 h TRP 42 Ca -0.00 0.03 0.08 0.00 2.11 0.00 0.00 58.89 61.11 1bw4 h TRP 42 Cb 0.04 0.28 -0.11 0.00 -2.10 0.00 0.00 29.16 27.27 1bw4 h TRP 42 CO -0.26 -0.30 -0.54 -0.09 -2.79 0.00 0.00 178.44 174.46 1bw4 h ARG 43 N -0.28 -0.18 -0.10 2.65 2.43 -1.37 -0.84 114.38 116.69 1bw4 h ARG 43 Ca 0.10 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.09 1bw4 h ARG 43 Cb 0.43 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1bw4 h ARG 43 CO -0.29 -0.12 -0.71 0.66 -1.51 0.00 0.00 179.97 178.00 1bw4 h SER 44 N -0.18 0.57 -0.67 -3.80 4.64 -0.79 -3.25 113.55 110.07 1bw4 h SER 44 Ca 0.14 -0.36 0.13 0.00 -0.47 0.00 0.00 61.79 61.23 1bw4 h SER 44 Cb 0.52 -0.17 -0.13 0.00 -0.31 0.00 0.00 62.40 62.31 1bw4 h SER 44 CO -0.78 1.11 -0.16 0.50 -0.87 0.00 0.00 176.83 176.63 1bw4 h LYS 45 N 0.34 0.00 0.00 4.77 3.64 0.69 -3.42 116.57 122.59 1bw4 h LYS 45 Ca -0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1bw4 h LYS 45 Cb 1.29 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1bw4 h LYS 45 CO 0.13 0.00 0.00 0.98 -2.27 0.00 0.00 179.45 178.29 1bw4 n TYR 46 N -5.45 -1.07 0.00 1.91 4.19 -0.51 -5.08 117.16 111.15 1bw4 n TYR 46 Ca 0.08 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.29 1bw4 n TYR 46 Cb 0.35 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.18 1bw4 n TYR 46 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1bw4 n GLY 47 N 5.00 0.73 0.00 2.98 0.00 -1.26 -4.87 105.19 107.77 1bw4 n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bw4 n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1bw4 n TRP 48 N 0.00 0.00 -2.74 1.61 4.27 -0.95 -4.63 117.44 115.00 1bw4 n TRP 48 Ca 0.00 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.20 1bw4 n TRP 48 Cb 0.00 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 29.90 1bw4 n TRP 48 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1bw4 s THR 49 N -0.30 4.42 -0.11 -1.67 -4.23 0.23 -4.30 115.64 109.68 1bw4 s THR 49 Ca 0.00 2.07 -0.30 0.00 -1.18 0.00 0.00 61.69 62.28 1bw4 s THR 49 Cb 0.00 -4.32 -0.01 0.00 1.34 0.00 0.00 72.50 69.51 1bw4 s THR 49 CO 0.00 0.35 1.01 0.00 -0.54 0.00 0.00 174.62 175.45 1bw4 s ALA 50 N -0.23 3.42 -0.12 3.99 0.00 -1.26 -0.80 121.76 126.76 1bw4 s ALA 50 Ca 0.46 0.38 -0.22 0.00 0.00 0.00 0.00 51.96 52.58 1bw4 s ALA 50 Cb -0.24 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 1bw4 s ALA 50 CO 0.30 -0.63 0.64 -0.06 0.00 0.00 0.00 175.76 176.02 1bw4 s PHE 51 N 2.06 3.50 -0.41 0.00 0.08 -0.51 -0.03 117.98 122.67 1bw4 s PHE 51 Ca 0.48 1.09 0.04 0.00 0.12 0.00 0.00 56.93 58.66 1bw4 s PHE 51 Cb -0.18 -2.77 0.46 0.00 -0.57 0.00 0.00 43.02 39.96 1bw4 s PHE 51 CO 0.18 0.01 1.44 0.00 -0.10 0.00 0.00 175.22 176.74 1bw4 s GLY 53 N -3.07 1.65 0.03 0.00 0.00 -1.21 -2.22 107.32 102.50 1bw4 s GLY 53 Ca 0.55 -1.69 -0.14 0.00 0.00 0.00 0.00 44.72 43.44 1bw4 s GLY 53 CO 0.02 -1.76 1.21 -0.56 0.00 0.00 0.00 173.10 172.01 1bw4 h PRO 54 N 2.77 -0.36 -5.96 2.90 0.13 -1.95 -3.43 132.00 126.11 1bw4 h PRO 54 Ca -0.42 0.02 -0.62 0.00 -0.87 0.00 0.00 66.00 64.12 1bw4 h PRO 54 Cb 1.23 0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 1bw4 h PRO 54 CO 0.55 -0.24 -0.24 0.00 -0.23 0.00 0.00 178.00 177.84 1bw4 s ALA 55 N -4.25 3.72 0.00 -0.56 0.00 -1.26 -4.68 121.76 114.73 1bw4 s ALA 55 Ca -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1bw4 s ALA 55 Cb 0.02 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.81 1bw4 s ALA 55 CO 0.23 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.90 1bw4 n GLY 56 N 1.85 1.57 3.51 0.00 0.00 -1.26 -4.64 105.19 106.22 1bw4 n GLY 56 Ca -0.15 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1bw4 n GLY 56 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bw4 n PRO 57 N 0.00 0.26 -1.70 1.61 -0.04 -1.26 -2.94 135.00 130.93 1bw4 n PRO 57 Ca 0.00 -0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1bw4 n PRO 57 Cb 0.00 -1.99 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 1bw4 n PRO 57 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1bw4 n ARG 58 N 8.58 4.15 0.00 0.54 0.63 -1.26 -4.95 116.66 124.35 1bw4 n ARG 58 Ca 0.59 -2.90 0.00 0.00 -0.92 0.00 0.00 57.85 54.61 1bw4 n ARG 58 Cb 0.16 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.34 1bw4 n ARG 58 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bw4 n GLY 59 N 2.61 0.34 0.36 5.14 0.00 -1.26 0.12 105.19 112.49 1bw4 n GLY 59 Ca 0.69 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.57 1bw4 n GLY 59 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bw4 h GLN 60 N 0.00 -0.13 -0.62 1.61 4.20 -1.96 0.94 115.11 119.15 1bw4 h GLN 60 Ca 0.00 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.90 1bw4 h GLN 60 Cb 0.00 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1bw4 h GLN 60 CO 0.00 -0.09 0.76 0.00 -0.67 0.00 0.00 178.83 178.84 1bw4 h ALA 61 N 1.03 2.40 0.06 3.87 0.00 -1.86 0.12 119.26 124.89 1bw4 h ALA 61 Ca 0.25 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.87 1bw4 h ALA 61 Cb 0.56 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1bw4 h ALA 61 CO -0.75 -1.08 -1.36 0.00 0.00 0.00 0.00 179.25 176.06 1bw4 h ALA 62 N 1.06 0.38 -0.35 0.00 0.00 0.35 -3.41 119.26 117.30 1bw4 h ALA 62 Ca 0.30 -1.09 -0.65 0.00 0.00 0.00 0.00 54.91 53.46 1bw4 h ALA 62 Cb 1.82 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 1bw4 h ALA 62 CO -0.00 1.25 2.47 0.00 0.00 0.00 0.00 179.25 182.97 1bw4 n GLY 64 N 4.79 -0.12 3.53 0.00 0.00 -1.26 -4.94 105.19 107.19 1bw4 n GLY 64 Ca 0.50 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.27 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 1.82 0.20 1.61 -0.14 -0.67 -4.83 119.74 117.74 1bw4 s LYS 65 Ca 0.00 -2.06 0.06 0.00 -1.36 0.00 0.00 55.97 52.62 1bw4 s LYS 65 Cb 0.00 -1.04 -0.05 0.00 -1.68 0.00 0.00 37.83 35.06 1bw4 s LYS 65 CO 0.00 -0.23 -0.10 0.00 -0.76 0.00 0.00 175.35 174.26 1bw4 s LEU 67 N -3.30 2.11 -0.21 0.00 0.20 0.08 -0.48 118.68 117.09 1bw4 s LEU 67 Ca 0.23 -0.48 -0.06 0.00 0.69 0.00 0.00 54.13 54.51 1bw4 s LEU 67 Cb 0.02 -1.11 -0.03 0.00 -0.43 0.00 0.00 46.19 44.63 1bw4 s LEU 67 CO 0.06 0.23 0.04 -0.60 -0.29 0.00 0.00 176.35 175.79 1bw4 s ARG 68 N -0.89 3.73 -0.12 1.98 3.52 -1.04 -0.38 118.95 125.76 1bw4 s ARG 68 Ca 0.09 -0.46 -0.01 0.00 -0.13 0.00 0.00 55.73 55.22 1bw4 s ARG 68 Cb -0.09 -3.18 -0.02 0.00 -1.56 0.00 0.00 34.95 30.10 1bw4 s ARG 68 CO 0.01 0.03 -0.08 0.08 -0.81 0.00 0.00 175.30 174.53 1bw4 s VAL 69 N 0.98 3.52 0.03 7.11 1.01 0.25 -1.98 120.40 131.32 1bw4 s VAL 69 Ca 0.03 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1bw4 s VAL 69 Cb -0.14 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1bw4 s VAL 69 CO 0.02 0.53 -0.17 -0.89 0.00 0.00 0.00 175.10 174.59 1bw4 s THR 70 N 0.04 1.37 -0.47 3.92 2.01 -0.53 -0.87 115.64 121.11 1bw4 s THR 70 Ca -0.02 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 60.90 1bw4 s THR 70 Cb -0.14 -1.20 0.12 0.00 0.01 0.00 0.00 72.50 71.29 1bw4 s THR 70 CO 0.03 0.16 0.31 0.21 -0.69 0.00 0.00 174.62 174.65 1bw4 s ASN 71 N -0.99 5.51 0.09 3.53 2.47 0.55 -1.75 114.94 124.35 1bw4 s ASN 71 Ca 0.05 -2.07 -0.35 0.00 0.42 0.00 0.00 52.86 50.90 1bw4 s ASN 71 Cb -0.08 -1.93 -0.16 0.00 -1.45 0.00 0.00 41.25 37.63 1bw4 s ASN 71 CO 0.01 -0.60 1.57 1.55 -3.72 0.00 0.00 177.10 175.90 1bw4 h PRO 72 N 8.14 -0.90 -0.51 0.43 0.13 -1.87 0.39 132.00 137.81 1bw4 h PRO 72 Ca -0.15 0.06 0.10 0.00 -0.87 0.00 0.00 66.00 65.14 1bw4 h PRO 72 Cb 1.05 0.20 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 1bw4 h PRO 72 CO 0.78 -0.60 -0.14 0.00 -0.23 0.00 0.00 178.00 177.81 1bw4 n ALA 73 N -2.84 0.08 -0.13 -0.56 0.00 -1.26 -2.23 120.51 113.57 1bw4 n ALA 73 Ca -0.11 0.55 -0.22 0.00 0.00 0.00 0.00 53.44 53.66 1bw4 n ALA 73 Cb 0.45 -0.31 -0.11 0.00 0.00 0.00 0.00 19.45 19.48 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 -4.81 1.46 0.00 0.00 -2.24 -1.08 -5.02 114.28 102.59 1bw4 n THR 74 Ca 0.07 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1bw4 n THR 74 Cb 0.24 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 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 1.94 1.06 3.77 3.38 0.00 0.14 -5.09 105.19 110.38 1bw4 n GLY 75 Ca -0.48 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 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 3.19 -0.04 4.61 0.00 -1.21 -4.74 121.76 121.57 1bw4 s ALA 76 Ca 0.00 0.83 -0.07 0.00 0.00 0.00 0.00 51.96 52.72 1bw4 s ALA 76 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1bw4 s ALA 76 CO 0.00 -0.29 0.16 1.14 0.00 0.00 0.00 175.76 176.77 1bw4 s GLN 77 N -2.16 0.31 0.12 0.00 -2.07 -1.26 -0.33 119.66 114.26 1bw4 s GLN 77 Ca 0.54 -0.00 0.06 0.00 -1.82 0.00 0.00 55.36 54.14 1bw4 s GLN 77 Cb -0.27 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 31.75 1bw4 s GLN 77 CO 0.34 -0.06 -0.14 -1.50 -1.32 0.00 0.00 175.29 172.61 1bw4 s ILE 78 N -0.47 1.34 -0.30 3.63 1.10 -0.05 -4.97 121.20 121.48 1bw4 s ILE 78 Ca -0.06 -1.69 -0.04 0.00 -0.51 0.00 0.00 60.65 58.36 1bw4 s ILE 78 Cb -0.04 -1.51 0.04 0.00 0.15 0.00 0.00 42.46 41.10 1bw4 s ILE 78 CO 0.01 -0.39 0.04 -0.89 -2.11 0.00 0.00 174.94 171.60 1bw4 s THR 79 N -2.04 3.41 0.32 4.00 2.01 -1.26 -0.59 115.64 121.49 1bw4 s THR 79 Ca 0.08 -1.13 0.07 0.00 0.31 0.00 0.00 61.69 61.03 1bw4 s THR 79 Cb -0.05 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1bw4 s THR 79 CO 0.03 -0.05 0.30 0.00 -0.69 0.00 0.00 174.62 174.21 1bw4 s ALA 80 N 1.36 3.86 -0.10 7.40 0.00 0.49 -4.53 121.76 130.23 1bw4 s ALA 80 Ca -0.02 -1.58 -0.05 0.00 0.00 0.00 0.00 51.96 50.31 1bw4 s ALA 80 Cb -0.19 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 1bw4 s ALA 80 CO 0.00 0.04 0.08 0.50 0.00 0.00 0.00 175.76 176.39 1bw4 s ARG 81 N -3.99 3.25 -0.19 0.00 3.52 -1.26 -0.74 118.95 119.53 1bw4 s ARG 81 Ca 0.40 -0.25 -0.21 0.00 -0.13 0.00 0.00 55.73 55.55 1bw4 s ARG 81 Cb -0.07 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 1bw4 s ARG 81 CO 0.27 0.75 0.62 0.42 -0.81 0.00 0.00 175.30 176.54 1bw4 s ILE 82 N -0.98 5.03 -0.05 4.11 1.01 0.12 0.77 121.20 131.22 1bw4 s ILE 82 Ca 0.15 1.17 0.01 0.00 0.00 0.00 0.00 60.65 61.97 1bw4 s ILE 82 Cb -0.12 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1bw4 s ILE 82 CO 0.04 0.13 -0.03 0.52 0.00 0.00 0.00 174.94 175.59 1bw4 n VAL 83 N 4.63 0.28 -4.16 2.92 0.31 0.02 -4.20 118.33 118.12 1bw4 n VAL 83 Ca -0.02 -0.12 -0.12 0.00 -0.01 0.00 0.00 64.34 64.07 1bw4 n VAL 83 Cb 0.50 -0.72 -0.08 0.00 -0.91 0.00 0.00 33.84 32.62 1bw4 n VAL 83 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1bw4 s ASP 84 N -4.26 0.34 -0.26 4.52 2.15 -1.16 -1.59 116.67 116.42 1bw4 s ASP 84 Ca -0.06 -1.34 -0.00 0.00 0.43 0.00 0.00 52.55 51.58 1bw4 s ASP 84 Cb 0.02 0.47 0.04 0.00 -0.30 0.00 0.00 42.92 43.14 1bw4 s ASP 84 CO 0.12 -0.97 -0.07 -1.58 -0.17 0.00 0.00 175.17 172.50 1bw4 s GLN 85 N -3.96 2.60 0.29 4.34 -0.44 -1.26 -1.43 119.66 119.81 1bw4 s GLN 85 Ca 0.35 -1.13 0.06 0.00 -2.50 0.00 0.00 55.36 52.15 1bw4 s GLN 85 Cb 0.04 -2.96 -0.02 0.00 -1.64 0.00 0.00 33.01 28.43 1bw4 s GLN 85 CO 0.14 -0.48 0.26 0.00 0.50 0.00 0.00 175.29 175.71 1bw4 n ALA 87 N -1.00 -0.14 -0.91 0.00 0.00 -1.26 -3.28 120.51 113.92 1bw4 n ALA 87 Ca -0.10 -2.05 0.05 0.00 0.00 0.00 0.00 53.44 51.33 1bw4 n ALA 87 Cb 0.53 -1.16 0.07 0.00 0.00 0.00 0.00 19.45 18.89 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 1.45 1.73 0.00 0.00 2.04 -0.97 -4.93 115.26 114.58 1bw4 n ASN 88 Ca 0.13 -2.47 0.00 0.00 -0.44 0.00 0.00 54.58 51.80 1bw4 n ASN 88 Cb 0.61 -0.25 0.00 0.00 -2.53 0.00 0.00 39.78 37.61 1bw4 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bw4 n GLY 89 N -0.86 1.47 3.64 4.83 0.00 -0.94 -4.82 105.19 108.51 1bw4 n GLY 89 Ca 0.08 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.08 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 1.42 -0.98 2.89 -0.02 0.00 -1.24 -2.97 105.19 104.29 1bw4 n GLY 90 Ca 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 46.02 46.72 1bw4 n GLY 90 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1bw4 n LEU 91 N -1.94 0.04 -3.65 0.99 -0.00 -1.26 -0.46 117.00 110.72 1bw4 n LEU 91 Ca -0.23 -0.87 -0.14 0.00 -0.00 0.00 0.00 56.01 54.77 1bw4 n LEU 91 Cb 0.67 -0.32 -0.08 0.00 -0.00 0.00 0.00 43.42 43.69 1bw4 n LEU 91 CO 0.61 -1.07 0.28 1.51 -0.00 0.00 0.00 177.39 178.71 1bw4 s ASP 92 N 3.85 -0.57 -0.66 1.45 -4.77 -1.09 -2.83 116.67 112.05 1bw4 s ASP 92 Ca 0.06 0.96 0.03 0.00 -3.30 0.00 0.00 52.55 50.30 1bw4 s ASP 92 Cb 0.01 0.96 0.35 0.00 -1.09 0.00 0.00 42.92 43.15 1bw4 s ASP 92 CO 0.03 -0.31 1.20 0.00 0.70 0.00 0.00 175.17 176.79 1bw4 n LEU 93 N 2.22 5.25 0.00 2.11 -0.00 0.96 -2.26 117.00 125.28 1bw4 n LEU 93 Ca -0.16 -5.51 0.00 0.00 -0.00 0.00 0.00 56.01 50.34 1bw4 n LEU 93 Cb 0.56 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 1bw4 n LEU 93 CO 0.12 2.25 0.00 0.47 -0.00 0.00 0.00 177.39 180.23 1bw4 n ASP 94 N -0.26 0.00 0.00 1.45 8.00 -0.66 -4.08 116.55 121.00 1bw4 n ASP 94 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1bw4 n ASP 94 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1bw4 n TRP 95 N 0.00 0.00 -0.19 1.24 -0.00 -0.64 -3.11 117.44 114.74 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 -0.40 -0.00 0.00 0.00 177.69 177.29 1bw4 n ASP 96 N 0.00 0.91 0.02 5.87 5.75 -1.26 -4.69 116.55 123.15 1bw4 n ASP 96 Ca 0.00 -1.11 -0.19 0.00 -0.01 0.00 0.00 54.79 53.48 1bw4 n ASP 96 Cb 0.00 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1bw4 h THR 97 N 0.24 0.76 0.00 2.12 1.35 -1.98 -3.40 112.91 112.00 1bw4 h THR 97 Ca 0.00 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 1bw4 h THR 97 Cb 0.16 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1bw4 h THR 97 CO 0.00 0.82 0.00 0.52 -0.25 0.00 0.00 175.52 176.61 1bw4 n VAL 98 N -3.43 0.00 0.00 6.82 0.31 -1.26 -4.67 118.33 116.10 1bw4 n VAL 98 Ca -0.27 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1bw4 n VAL 98 Cb 1.05 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 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 -1.03 0.00 0.22 3.52 7.35 -1.26 -2.69 117.46 123.58 1bw4 n PHE 99 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1bw4 n PHE 99 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1bw4 n PHE 99 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1bw4 n THR 100 N -0.19 0.00 -0.03 -2.13 -2.24 -1.26 0.34 114.28 108.77 1bw4 n THR 100 Ca 0.00 0.70 -0.18 0.00 -2.27 0.00 0.00 64.05 62.30 1bw4 n THR 100 Cb 0.00 -1.43 -0.13 0.00 -2.10 0.00 0.00 70.33 66.66 1bw4 n THR 100 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bw4 h LYS 101 N 0.00 0.12 -0.00 -0.78 1.79 -1.77 -3.32 116.57 112.60 1bw4 h LYS 101 Ca 0.00 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1bw4 h LYS 101 Cb 1.41 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.13 1bw4 h LYS 101 CO 0.00 1.10 -0.04 0.44 -1.08 0.00 0.00 179.45 179.86 1bw4 n ILE 102 N -4.34 0.00 -2.13 1.86 -5.35 0.15 -4.43 119.36 105.12 1bw4 n ILE 102 Ca -0.17 -0.02 -0.42 0.00 -0.27 0.00 0.00 62.75 61.86 1bw4 n ILE 102 Cb 0.67 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 1bw4 n ILE 102 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1bw4 n ASP 103 N -1.15 4.51 0.13 7.28 8.00 -0.97 -4.72 116.55 129.63 1bw4 n ASP 103 Ca 0.15 -2.95 0.01 0.00 0.71 0.00 0.00 54.79 52.70 1bw4 n ASP 103 Cb 0.25 -1.61 0.08 0.00 -0.02 0.00 0.00 41.12 39.82 1bw4 n ASP 103 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1bw4 h THR 104 N 4.17 1.14 0.09 -3.53 1.35 -1.87 -3.36 112.91 110.89 1bw4 h THR 104 Ca 0.48 -2.35 -0.30 0.00 -0.55 0.00 0.00 66.41 63.69 1bw4 h THR 104 Cb 0.68 2.39 -0.02 0.00 -1.73 0.00 0.00 68.15 69.47 1bw4 h THR 104 CO 1.70 0.60 -1.61 -0.55 -0.25 0.00 0.00 175.52 175.40 1bw4 h ASN 105 N 0.00 0.29 0.00 5.36 -1.07 -1.98 -3.50 115.58 114.69 1bw4 h ASN 105 Ca -0.01 -0.80 0.00 0.00 0.07 0.00 0.00 56.30 55.56 1bw4 h ASN 105 Cb 1.34 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 1bw4 h ASN 105 CO 0.08 1.69 0.00 0.61 0.07 0.00 0.00 177.43 179.88 1bw4 n GLY 106 N 1.76 3.23 0.32 9.14 0.00 -1.26 -4.97 105.19 113.42 1bw4 n GLY 106 Ca -0.30 -0.97 0.02 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.40 -0.21 -0.61 2.08 -1.26 -0.87 119.36 118.09 1bw4 n ILE 107 Ca 0.00 1.99 -0.08 0.00 0.56 0.00 0.00 62.75 65.22 1bw4 n ILE 107 Cb 0.00 -2.70 -0.03 0.00 -0.75 0.00 0.00 39.64 36.16 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 -0.39 0.87 7.39 0.00 -1.93 0.39 103.07 109.39 1bw4 h GLY 108 Ca 0.36 0.54 0.03 0.00 0.00 0.00 0.00 47.33 48.26 1bw4 h GLY 108 CO -0.87 -0.17 0.34 -1.82 0.00 0.00 0.00 176.54 174.02 1bw4 h TYR 109 N -0.21 0.63 -0.12 5.60 3.20 -1.35 0.31 116.97 125.02 1bw4 h TYR 109 Ca 0.19 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 1bw4 h TYR 109 Cb 0.56 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1bw4 h TYR 109 CO -0.70 0.36 0.04 0.94 -1.64 0.00 0.00 178.16 177.16 1bw4 n GLN 110 N -4.77 1.45 0.00 1.82 -0.06 0.65 -3.84 117.38 112.63 1bw4 n GLN 110 Ca 0.05 -0.49 0.00 0.00 -2.00 0.00 0.00 57.00 54.55 1bw4 n GLN 110 Cb 0.08 -1.44 0.00 0.00 -4.06 0.00 0.00 30.24 24.82 1bw4 n GLN 110 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1bw4 n GLN 111 N 0.16 0.00 0.00 3.69 7.27 0.10 -4.95 117.38 123.65 1bw4 n GLN 111 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1bw4 n GLN 111 Cb 0.52 -0.20 0.00 0.00 2.41 0.00 0.00 30.24 32.97 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bw4 n GLY 112 N 2.06 3.82 3.20 1.69 0.00 0.88 -5.07 105.19 111.77 1bw4 n GLY 112 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 0.64 0.31 1.61 0.00 -1.25 -4.58 115.29 112.03 1bw4 s HIS 113 Ca 0.00 -1.03 0.04 0.00 -3.00 0.00 0.00 55.06 51.06 1bw4 s HIS 113 Cb 0.00 -0.32 -0.03 0.00 -4.00 0.00 0.00 32.58 28.23 1bw4 s HIS 113 CO 0.00 -0.57 0.18 -1.17 -1.00 0.00 0.00 174.74 172.18 1bw4 s LEU 114 N -3.00 1.69 -0.17 5.38 2.96 -0.56 -4.71 118.68 120.26 1bw4 s LEU 114 Ca 0.19 -1.61 -0.01 0.00 -0.22 0.00 0.00 54.13 52.49 1bw4 s LEU 114 Cb 0.06 0.26 -0.00 0.00 0.50 0.00 0.00 46.19 47.01 1bw4 s LEU 114 CO -0.01 -0.93 -0.13 0.21 -1.32 0.00 0.00 176.35 174.17 1bw4 s ASN 115 N -3.38 3.76 0.35 3.68 3.04 -1.26 -0.21 114.94 120.92 1bw4 s ASN 115 Ca 0.36 -0.46 0.04 0.00 0.04 0.00 0.00 52.86 52.83 1bw4 s ASN 115 Cb 0.04 -1.60 -0.06 0.00 -1.54 0.00 0.00 41.25 38.10 1bw4 s ASN 115 CO 0.19 0.06 0.07 0.68 -3.04 0.00 0.00 177.10 175.05 1bw4 s VAL 116 N 0.99 1.10 0.01 -5.21 -7.23 -0.01 -4.58 120.40 105.48 1bw4 s VAL 116 Ca -0.02 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1bw4 s VAL 116 Cb -0.15 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 1bw4 s VAL 116 CO -0.02 0.00 -0.16 0.20 -0.31 0.00 0.00 175.10 174.80 1bw4 s ASN 117 N -3.53 1.93 -0.08 4.85 0.01 -0.72 -1.55 114.94 115.85 1bw4 s ASN 117 Ca 0.33 -0.37 -0.08 0.00 -0.71 0.00 0.00 52.86 52.03 1bw4 s ASN 117 Cb 0.07 -0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.57 1bw4 s ASN 117 CO 0.15 0.15 0.22 -0.72 -1.51 0.00 0.00 177.10 175.39 1bw4 s TYR 118 N -0.57 -0.22 -0.04 2.20 1.13 -0.79 -1.45 117.35 117.60 1bw4 s TYR 118 Ca 0.05 0.53 0.01 0.00 -1.41 0.00 0.00 57.07 56.25 1bw4 s TYR 118 Cb -0.07 0.07 0.02 0.00 -1.10 0.00 0.00 41.96 40.89 1bw4 s TYR 118 CO 0.00 -0.13 -0.03 -0.65 -2.51 0.00 0.00 175.55 172.23 1bw4 s GLN 119 N -0.02 0.72 0.31 -3.49 -1.52 -0.84 -2.58 119.66 112.25 1bw4 s GLN 119 Ca -0.01 -0.06 -0.28 0.00 -1.95 0.00 0.00 55.36 53.06 1bw4 s GLN 119 Cb -0.02 -0.79 -0.13 0.00 -0.22 0.00 0.00 33.01 31.85 1bw4 s GLN 119 CO 0.00 -0.11 1.12 1.19 -0.25 0.00 0.00 175.29 177.25 1bw4 n PHE 120 N 4.17 1.67 -4.18 0.91 3.01 -0.32 -2.48 117.46 120.24 1bw4 n PHE 120 Ca -0.23 0.64 -0.11 0.00 1.01 0.00 0.00 57.45 58.75 1bw4 n PHE 120 Cb 0.51 -2.32 -0.10 0.00 -0.01 0.00 0.00 39.48 37.56 1bw4 n PHE 120 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1bw4 s VAL 121 N -1.08 0.03 0.44 -4.37 0.11 0.37 -4.82 120.40 111.08 1bw4 s VAL 121 Ca 0.57 -1.97 -0.03 0.00 -2.93 0.00 0.00 61.98 57.63 1bw4 s VAL 121 Cb -0.64 -2.36 -0.03 0.00 -1.53 0.00 0.00 36.38 31.81 1bw4 s VAL 121 CO 0.61 -0.13 0.70 -0.62 -3.33 0.00 0.00 175.10 172.33 1bw4 s ASP 122 N -3.13 6.25 0.03 3.54 2.15 -1.26 -1.70 116.67 122.54 1bw4 s ASP 122 Ca 0.35 0.74 0.15 0.00 0.43 0.00 0.00 52.55 54.22 1bw4 s ASP 122 Cb 0.07 -2.14 -0.17 0.00 -0.30 0.00 0.00 42.92 40.38 1bw4 s ASP 122 CO 0.09 -0.50 0.77 0.00 -0.17 0.00 0.00 175.17 175.37 1bw4 n ARG 124 N -2.94 -0.94 0.00 0.00 0.63 -1.26 -5.07 116.66 107.08 1bw4 n ARG 124 Ca -0.12 0.06 0.14 0.00 -0.92 0.00 0.00 57.85 57.01 1bw4 n ARG 124 Cb 0.91 -2.12 0.56 0.00 0.45 0.00 0.00 32.46 32.26 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65