#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 1.03 0.08 3.44 -0.21 -1.26 -0.87 119.66 121.87 1bw4 s GLN 2 Ca 0.00 -0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.21 1bw4 s GLN 2 Cb 0.00 -0.95 -0.03 0.00 1.00 0.00 0.00 33.01 33.02 1bw4 s GLN 2 CO 0.00 -0.02 -0.10 0.00 -2.12 0.00 0.00 175.29 173.06 1bw4 s ALA 3 N 0.70 0.95 0.19 6.09 0.00 -0.26 -5.02 121.76 124.42 1bw4 s ALA 3 Ca -0.11 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1bw4 s ALA 3 Cb -0.14 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1bw4 s ALA 3 CO 0.01 -0.03 0.08 0.54 0.00 0.00 0.00 175.76 176.36 1bw4 s ASN 4 N -2.17 0.58 -0.76 0.00 2.20 -1.26 -1.73 114.94 111.80 1bw4 s ASN 4 Ca 0.01 -1.30 -0.22 0.00 -0.94 0.00 0.00 52.86 50.41 1bw4 s ASN 4 Cb -0.05 0.27 0.03 0.00 -2.00 0.00 0.00 41.25 39.50 1bw4 s ASN 4 CO -0.00 -0.74 0.41 0.47 -2.94 0.00 0.00 177.10 174.30 1bw4 n ASP 5 N -0.25 -2.46 -4.62 3.54 8.00 -1.24 -4.92 116.55 114.58 1bw4 n ASP 5 Ca -0.02 -0.81 -0.30 0.00 0.71 0.00 0.00 54.79 54.36 1bw4 n ASP 5 Cb 0.65 -0.98 -0.09 0.00 -0.02 0.00 0.00 41.12 40.68 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 -4.09 3.68 0.08 2.53 1.01 -0.20 -4.95 120.40 118.46 1bw4 s VAL 6 Ca 0.30 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1bw4 s VAL 6 Cb -0.17 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1bw4 s VAL 6 CO 0.61 0.19 0.93 -0.13 0.00 0.00 0.00 175.10 176.69 1bw4 s ARG 7 N -2.04 4.65 -0.01 2.72 0.52 -1.26 -1.65 118.95 121.87 1bw4 s ARG 7 Ca 0.22 1.38 0.03 0.00 -0.52 0.00 0.00 55.73 56.83 1bw4 s ARG 7 Cb -0.11 -3.39 -0.00 0.00 0.52 0.00 0.00 34.95 31.97 1bw4 s ARG 7 CO 0.14 0.19 -0.09 0.00 0.02 0.00 0.00 175.30 175.56 1bw4 s ALA 8 N 0.13 0.76 0.16 2.13 0.00 0.02 -4.91 121.76 120.05 1bw4 s ALA 8 Ca 0.46 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1bw4 s ALA 8 Cb -0.22 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1bw4 s ALA 8 CO 0.28 0.16 0.00 0.25 0.00 0.00 0.00 175.76 176.45 1bw4 n THR 9 N 3.02 0.00 -3.22 0.00 -2.24 -1.26 -1.31 114.28 109.27 1bw4 n THR 9 Ca -0.15 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 1bw4 n THR 9 Cb 0.56 -0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 1bw4 n THR 9 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1bw4 s TYR 10 N 2.40 0.18 -0.79 4.78 1.13 -1.25 -4.00 117.35 119.80 1bw4 s TYR 10 Ca 0.00 -1.67 -0.09 0.00 -1.41 0.00 0.00 57.07 53.91 1bw4 s TYR 10 Cb 0.00 -0.52 0.21 0.00 -1.10 0.00 0.00 41.96 40.55 1bw4 s TYR 10 CO 0.00 -0.97 0.69 -1.58 -2.51 0.00 0.00 175.55 171.19 1bw4 s HIS 11 N 0.46 3.70 -1.06 -3.49 2.46 -0.35 -4.68 115.29 112.34 1bw4 s HIS 11 Ca 0.30 -2.38 -0.15 0.00 0.47 0.00 0.00 55.06 53.30 1bw4 s HIS 11 Cb -0.00 -3.57 0.17 0.00 -0.13 0.00 0.00 32.58 29.05 1bw4 s HIS 11 CO -0.13 -0.92 1.22 1.52 -2.47 0.00 0.00 174.74 173.96 1bw4 s TYR 12 N -0.18 3.49 0.27 3.88 1.13 -1.24 -3.13 117.35 121.57 1bw4 s TYR 12 Ca 0.20 -1.92 -0.30 0.00 -1.41 0.00 0.00 57.07 53.63 1bw4 s TYR 12 Cb -0.13 -4.20 -0.10 0.00 -1.10 0.00 0.00 41.96 36.43 1bw4 s TYR 12 CO -0.07 -1.33 1.44 -0.47 -2.51 0.00 0.00 175.55 172.60 1bw4 s TYR 13 N 1.49 2.98 -0.62 -3.49 5.04 0.25 -4.66 117.35 118.33 1bw4 s TYR 13 Ca 0.35 1.06 0.04 0.00 -2.44 0.00 0.00 57.07 56.07 1bw4 s TYR 13 Cb -0.05 -3.84 0.36 0.00 0.35 0.00 0.00 41.96 38.79 1bw4 s TYR 13 CO -0.05 -2.67 1.21 -2.13 -1.34 0.00 0.00 175.55 170.56 1bw4 n ARG 14 N 2.05 3.56 -0.30 4.97 0.63 -1.17 -0.24 116.66 126.16 1bw4 n ARG 14 Ca 0.06 -4.62 0.13 0.00 -0.92 0.00 0.00 57.85 52.50 1bw4 n ARG 14 Cb 0.40 -2.28 0.27 0.00 0.45 0.00 0.00 32.46 31.30 1bw4 n ARG 14 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1bw4 n PRO 15 N -0.32 -0.07 -0.34 -0.14 -0.02 -1.26 -1.61 135.00 131.25 1bw4 n PRO 15 Ca 0.38 1.30 0.28 0.00 -2.02 0.00 0.00 63.50 63.44 1bw4 n PRO 15 Cb 0.44 -2.07 0.46 0.00 -0.02 0.00 0.00 33.50 32.31 1bw4 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 n ALA 16 N -3.19 0.96 -0.24 3.55 0.00 -1.26 -2.04 120.51 118.29 1bw4 n ALA 16 Ca 0.21 0.56 0.11 0.00 0.00 0.00 0.00 53.44 54.32 1bw4 n ALA 16 Cb 0.69 -0.71 0.22 0.00 0.00 0.00 0.00 19.45 19.64 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 -3.89 -0.05 -3.07 0.00 7.27 -0.63 0.86 117.38 117.85 1bw4 n GLN 17 Ca 0.27 1.03 -0.32 0.00 0.07 0.00 0.00 57.00 58.05 1bw4 n GLN 17 Cb 1.09 -1.65 -0.04 0.00 2.41 0.00 0.00 30.24 32.05 1bw4 n GLN 17 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1bw4 n ASN 18 N -4.90 5.03 -4.07 1.69 5.15 -0.87 -4.83 115.26 112.47 1bw4 n ASN 18 Ca 0.17 -3.56 -0.34 0.00 -0.60 0.00 0.00 54.58 50.25 1bw4 n ASN 18 Cb 0.56 -0.82 -0.07 0.00 -0.53 0.00 0.00 39.78 38.92 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 0.44 -1.01 -3.38 1.20 2.85 0.25 -0.14 115.26 115.46 1bw4 n ASN 19 Ca 0.32 -1.06 -0.19 0.00 -0.11 0.00 0.00 54.58 53.54 1bw4 n ASN 19 Cb 0.37 -1.35 0.01 0.00 1.24 0.00 0.00 39.78 40.05 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 -3.63 -2.69 -2.00 1.20 7.02 -1.02 -4.84 117.44 111.47 1bw4 n TRP 20 Ca 0.02 1.08 -0.41 0.00 -1.02 0.00 0.00 57.50 57.16 1bw4 n TRP 20 Cb 0.43 -3.09 -0.00 0.00 -2.42 0.00 0.00 31.31 26.23 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 -1.41 6.01 0.20 -0.99 -0.08 0.80 -4.74 116.55 116.33 1bw4 n ASP 21 Ca -0.11 -3.00 0.16 0.00 -1.51 0.00 0.00 54.79 50.33 1bw4 n ASP 21 Cb 0.60 -1.50 0.62 0.00 2.34 0.00 0.00 41.12 43.18 1bw4 n ASP 21 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1bw4 h LEU 22 N 7.63 0.00 -0.31 -2.67 3.38 -1.88 0.24 115.31 121.70 1bw4 h LEU 22 Ca 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.52 1bw4 h LEU 22 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1bw4 h LEU 22 CO 1.67 0.00 0.14 1.23 0.09 0.00 0.00 178.44 181.56 1bw4 h GLY 23 N 0.00 0.49 -6.82 0.83 0.00 -1.95 -2.44 103.07 93.18 1bw4 h GLY 23 Ca 0.12 -0.26 -0.68 0.00 0.00 0.00 0.00 47.33 46.50 1bw4 h GLY 23 CO -0.00 0.24 1.40 0.00 0.00 0.00 0.00 176.54 178.18 1bw4 n ALA 24 N -2.26 0.23 -0.26 3.60 0.00 0.85 -4.61 120.51 118.06 1bw4 n ALA 24 Ca -0.02 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.54 1bw4 n ALA 24 Cb 0.12 -2.07 0.12 0.00 0.00 0.00 0.00 19.45 17.61 1bw4 n ALA 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bw4 n PRO 25 N 7.56 -0.06 0.17 0.00 -0.04 -1.26 -0.41 135.00 140.96 1bw4 n PRO 25 Ca 0.56 1.11 0.05 0.00 -0.04 0.00 0.00 63.50 65.18 1bw4 n PRO 25 Cb -0.02 -1.68 0.25 0.00 -0.04 0.00 0.00 33.50 32.01 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 h ALA 26 N 1.44 1.31 0.00 0.55 0.00 -1.93 -3.14 119.26 117.49 1bw4 h ALA 26 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1bw4 h ALA 26 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bw4 h ALA 26 CO -0.73 -0.31 -0.22 0.28 0.00 0.00 0.00 179.25 178.26 1bw4 n VAL 27 N -1.99 0.76 -3.38 0.00 0.31 0.45 -5.06 118.33 109.42 1bw4 n VAL 27 Ca -0.01 0.26 -0.16 0.00 -0.01 0.00 0.00 64.34 64.42 1bw4 n VAL 27 Cb 0.47 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 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 -3.28 -2.33 -4.79 4.52 3.41 -0.92 -4.93 113.62 105.30 1bw4 n SER 28 Ca -0.03 -0.55 -0.34 0.00 -0.26 0.00 0.00 58.87 57.69 1bw4 n SER 28 Cb 0.12 -0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 63.24 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 -3.00 2.79 0.00 7.33 0.00 -1.26 -4.95 121.76 122.68 1bw4 s ALA 29 Ca 0.07 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1bw4 s ALA 29 Cb -0.04 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1bw4 s ALA 29 CO 0.47 -0.53 0.48 0.98 0.00 0.00 0.00 175.76 177.16 1bw4 n TYR 30 N -1.21 0.00 -1.31 0.00 4.19 -1.26 -0.56 117.16 117.01 1bw4 n TYR 30 Ca 0.10 0.00 -0.29 0.00 3.31 0.00 0.00 57.90 61.02 1bw4 n TYR 30 Cb 0.52 -0.22 0.04 0.00 0.49 0.00 0.00 39.34 40.17 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 2.15 -0.49 -1.44 0.00 0.00 -1.19 0.28 119.26 118.56 1bw4 h ALA 32 Ca 0.47 -0.04 0.47 0.00 0.00 0.00 0.00 54.91 55.81 1bw4 h ALA 32 Cb 0.71 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 1bw4 h ALA 32 CO 1.19 -0.48 0.97 2.41 0.00 0.00 0.00 179.25 183.34 1bw4 n THR 33 N -2.84 -0.17 -0.10 0.00 -1.04 -1.26 0.12 114.28 108.98 1bw4 n THR 33 Ca -0.02 1.59 -0.19 0.00 -2.04 0.00 0.00 64.05 63.38 1bw4 n THR 33 Cb 0.06 -2.61 -0.09 0.00 -1.82 0.00 0.00 70.33 65.87 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 -4.33 0.79 0.08 -1.42 8.01 -1.23 -4.55 117.44 114.78 1bw4 n TRP 34 Ca 0.39 0.34 -0.03 0.00 -1.31 0.00 0.00 57.50 56.89 1bw4 n TRP 34 Cb 1.58 -1.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.81 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 -1.00 0.00 0.00 -0.99 3.32 0.48 -3.25 116.42 114.98 1bw4 h ASP 35 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1bw4 h ASP 35 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1bw4 h ASP 35 CO -0.20 0.79 0.02 0.00 -1.72 0.00 0.00 179.24 178.12 1bw4 n ALA 36 N -2.33 0.97 1.33 3.45 0.00 0.12 -0.15 120.51 123.90 1bw4 n ALA 36 Ca -0.02 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1bw4 n ALA 36 Cb 0.87 -0.99 0.43 0.00 0.00 0.00 0.00 19.45 19.76 1bw4 n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bw4 n SER 37 N -1.53 1.15 -4.86 0.00 3.41 -1.23 -4.89 113.62 105.67 1bw4 n SER 37 Ca -0.00 -1.07 -0.33 0.00 -0.26 0.00 0.00 58.87 57.21 1bw4 n SER 37 Cb 0.02 0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.34 3.88 0.43 4.33 1.02 0.78 -5.06 119.74 122.78 1bw4 s LYS 38 Ca 0.29 0.39 -0.25 0.00 0.02 0.00 0.00 55.97 56.42 1bw4 s LYS 38 Cb 0.20 -2.70 -0.10 0.00 -0.52 0.00 0.00 37.83 34.71 1bw4 s LYS 38 CO 0.46 0.34 1.14 -0.35 -0.92 0.00 0.00 175.35 176.02 1bw4 n PRO 39 N 0.09 1.62 -0.39 -1.68 -0.04 -1.26 -4.88 135.00 128.46 1bw4 n PRO 39 Ca -0.01 0.58 0.35 0.00 -0.04 0.00 0.00 63.50 64.39 1bw4 n PRO 39 Cb 0.52 -2.22 0.62 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.30 0.28 0.00 1.53 4.77 -1.26 -3.58 117.00 119.03 1bw4 n LEU 40 Ca 0.08 1.50 0.00 0.00 -0.03 0.00 0.00 56.01 57.57 1bw4 n LEU 40 Cb 0.40 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1bw4 n LEU 40 CO 0.58 -1.66 0.00 -1.20 -1.33 0.00 0.00 177.39 173.77 1bw4 n SER 41 N -4.96 0.00 0.00 -1.43 7.64 -1.26 -0.93 113.62 112.68 1bw4 n SER 41 Ca 0.39 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 60.07 1bw4 n SER 41 Cb 1.40 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 64.46 1bw4 n SER 41 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1bw4 h TRP 42 N 0.00 0.39 -0.21 1.43 6.55 -1.94 -2.93 115.95 119.23 1bw4 h TRP 42 Ca 0.00 -0.28 0.04 0.00 0.95 0.00 0.00 58.89 59.60 1bw4 h TRP 42 Cb 0.00 -0.02 -0.04 0.00 -0.86 0.00 0.00 29.16 28.25 1bw4 h TRP 42 CO 0.00 1.38 -0.06 -2.13 -1.05 0.00 0.00 178.44 176.57 1bw4 n ARG 43 N -4.14 -0.03 -0.09 0.49 0.63 -0.68 0.12 116.66 112.96 1bw4 n ARG 43 Ca -0.19 0.33 -0.23 0.00 -0.92 0.00 0.00 57.85 56.84 1bw4 n ARG 43 Cb 0.79 -0.49 -0.12 0.00 0.45 0.00 0.00 32.46 33.09 1bw4 n ARG 43 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1bw4 n SER 44 N -4.33 1.99 -0.12 6.15 3.41 -0.10 -4.61 113.62 116.01 1bw4 n SER 44 Ca 0.03 0.20 -0.03 0.00 -0.26 0.00 0.00 58.87 58.81 1bw4 n SER 44 Cb 0.10 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.25 1bw4 n SER 44 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1bw4 n LYS 45 N -3.82 -0.13 -2.49 4.33 4.81 0.33 -4.83 118.16 116.36 1bw4 n LYS 45 Ca -0.41 0.82 -0.06 0.00 -0.87 0.00 0.00 58.31 57.80 1bw4 n LYS 45 Cb 0.91 -1.22 -0.01 0.00 0.02 0.00 0.00 35.03 34.74 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 -3.59 -1.04 -3.31 5.64 4.01 -0.51 -4.92 117.16 113.43 1bw4 n TYR 46 Ca 0.01 -0.95 -0.16 0.00 -0.16 0.00 0.00 57.90 56.64 1bw4 n TYR 46 Cb 0.07 0.27 0.08 0.00 -0.31 0.00 0.00 39.34 39.46 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 -0.24 -0.69 2.95 2.72 0.00 -1.26 -4.60 105.19 104.08 1bw4 n GLY 47 Ca -0.01 0.30 -0.02 0.00 0.00 0.00 0.00 46.02 46.29 1bw4 n GLY 47 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bw4 s TRP 48 N -3.36 -1.64 -0.30 1.61 -0.11 0.30 -4.37 118.94 111.07 1bw4 s TRP 48 Ca 0.20 -0.20 -0.06 0.00 1.22 0.00 0.00 56.10 57.25 1bw4 s TRP 48 Cb -0.03 0.31 0.15 0.00 -1.50 0.00 0.00 33.47 32.41 1bw4 s TRP 48 CO 0.72 -1.21 0.63 -0.08 -4.62 0.00 0.00 176.95 172.38 1bw4 s THR 49 N 1.30 -1.00 -0.23 5.86 -1.32 0.75 -4.01 115.64 117.00 1bw4 s THR 49 Ca 0.24 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.43 1bw4 s THR 49 Cb -0.02 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1bw4 s THR 49 CO -0.06 -0.00 1.02 0.00 -2.21 0.00 0.00 174.62 173.37 1bw4 s ALA 50 N 2.88 3.68 0.19 11.08 0.00 -1.26 -3.36 121.76 134.97 1bw4 s ALA 50 Ca 0.05 0.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 1bw4 s ALA 50 Cb -0.13 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 1bw4 s ALA 50 CO -0.20 -1.03 0.53 0.12 0.00 0.00 0.00 175.76 175.18 1bw4 s PHE 51 N 3.13 3.49 -0.34 0.00 2.19 0.03 -0.88 117.98 125.60 1bw4 s PHE 51 Ca 0.43 0.90 0.15 0.00 0.33 0.00 0.00 56.93 58.75 1bw4 s PHE 51 Cb -0.15 -2.27 0.41 0.00 -1.31 0.00 0.00 43.02 39.70 1bw4 s PHE 51 CO 0.06 0.34 0.85 0.00 1.83 0.00 0.00 175.22 178.31 1bw4 s GLY 53 N -2.80 1.74 0.18 0.00 0.00 -1.26 -4.14 107.32 101.04 1bw4 s GLY 53 Ca 0.33 -1.62 -0.13 0.00 0.00 0.00 0.00 44.72 43.30 1bw4 s GLY 53 CO -0.02 -1.66 1.71 -0.56 0.00 0.00 0.00 173.10 172.58 1bw4 h PRO 54 N 2.70 0.20 -5.44 2.90 0.13 -1.99 -3.41 132.00 127.10 1bw4 h PRO 54 Ca -0.45 -0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.02 1bw4 h PRO 54 Cb 1.22 -0.05 -0.24 0.00 0.13 0.00 0.00 31.00 32.07 1bw4 h PRO 54 CO 0.55 0.13 -0.72 0.00 -0.23 0.00 0.00 178.00 177.73 1bw4 s ALA 55 N -6.15 2.81 0.00 -0.56 0.00 -1.26 -4.92 121.76 111.68 1bw4 s ALA 55 Ca -0.13 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1bw4 s ALA 55 Cb 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1bw4 s ALA 55 CO 0.72 0.28 0.00 0.41 0.00 0.00 0.00 175.76 177.18 1bw4 n GLY 56 N 3.34 0.01 3.55 0.00 0.00 -1.26 -4.76 105.19 106.08 1bw4 n GLY 56 Ca -0.18 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 1.01 -3.85 1.61 -0.05 -1.26 -4.73 135.00 127.73 1bw4 n PRO 57 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 63.50 63.18 1bw4 n PRO 57 Cb 0.00 -3.36 -0.17 0.00 -0.05 0.00 0.00 33.50 29.93 1bw4 n PRO 57 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 175.50 175.95 1bw4 s ARG 58 N 8.29 1.18 0.00 0.54 6.06 -1.26 -4.75 118.95 129.01 1bw4 s ARG 58 Ca 1.00 -0.36 0.00 0.00 -2.50 0.00 0.00 55.73 53.87 1bw4 s ARG 58 Cb -0.23 -1.79 0.00 0.00 0.06 0.00 0.00 34.95 32.99 1bw4 s ARG 58 CO 0.27 -0.42 0.00 0.41 -2.50 0.00 0.00 175.30 173.06 1bw4 n GLY 59 N 4.96 2.01 0.06 8.12 0.00 -1.26 -4.86 105.19 114.21 1bw4 n GLY 59 Ca -0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.00 1.61 4.20 -1.96 -3.33 115.11 115.63 1bw4 h GLN 60 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bw4 h GLN 60 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1bw4 h GLN 60 CO 0.00 0.00 0.53 0.00 -0.67 0.00 0.00 178.83 178.69 1bw4 n ALA 61 N -3.41 0.08 0.21 3.87 0.00 -1.26 0.02 120.51 120.02 1bw4 n ALA 61 Ca -0.06 0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.41 1bw4 n ALA 61 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.12 2.61 -2.15 0.00 0.00 -1.26 -4.86 120.51 113.72 1bw4 n ALA 62 Ca -0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 1bw4 n ALA 62 Cb 0.53 -0.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 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 6.45 0.19 3.97 0.00 0.00 -0.97 -4.95 105.19 109.87 1bw4 n GLY 64 Ca 0.41 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 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 2.28 0.47 1.61 1.02 -0.27 -4.81 119.74 120.04 1bw4 s LYS 65 Ca 0.00 -1.84 0.06 0.00 0.02 0.00 0.00 55.97 54.21 1bw4 s LYS 65 Cb 0.00 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1bw4 s LYS 65 CO 0.00 -0.75 0.22 0.00 -0.92 0.00 0.00 175.35 173.91 1bw4 s LEU 67 N -4.02 1.29 -0.17 0.00 0.20 0.89 -1.00 118.68 115.87 1bw4 s LEU 67 Ca 0.33 -0.10 -0.13 0.00 0.69 0.00 0.00 54.13 54.92 1bw4 s LEU 67 Cb 0.01 -0.38 -0.05 0.00 -0.43 0.00 0.00 46.19 45.35 1bw4 s LEU 67 CO 0.19 -0.07 0.25 -0.60 -0.29 0.00 0.00 176.35 175.83 1bw4 s ARG 68 N 0.93 4.22 -0.05 1.98 3.52 0.26 0.11 118.95 129.91 1bw4 s ARG 68 Ca -0.11 0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.53 1bw4 s ARG 68 Cb -0.14 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 1bw4 s ARG 68 CO -0.00 0.27 -0.16 0.08 -0.81 0.00 0.00 175.30 174.67 1bw4 s VAL 69 N 0.40 1.40 0.10 7.11 1.01 -0.21 -1.31 120.40 128.89 1bw4 s VAL 69 Ca 0.14 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1bw4 s VAL 69 Cb -0.12 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1bw4 s VAL 69 CO 0.02 0.41 -0.17 -0.89 0.00 0.00 0.00 175.10 174.47 1bw4 s THR 70 N 0.23 1.45 -0.30 3.92 2.01 -0.98 -0.44 115.64 121.53 1bw4 s THR 70 Ca -0.08 -1.50 -0.06 0.00 0.31 0.00 0.00 61.69 60.37 1bw4 s THR 70 Cb -0.13 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.01 1bw4 s THR 70 CO 0.03 -0.18 0.06 0.21 -0.69 0.00 0.00 174.62 174.05 1bw4 s ASN 71 N -1.95 5.05 0.02 3.53 3.04 0.72 -2.35 114.94 122.99 1bw4 s ASN 71 Ca 0.04 -0.88 -0.14 0.00 0.04 0.00 0.00 52.86 51.93 1bw4 s ASN 71 Cb -0.09 -1.84 -0.08 0.00 -1.54 0.00 0.00 41.25 37.71 1bw4 s ASN 71 CO 0.03 -0.22 1.16 -0.65 -3.04 0.00 0.00 177.10 174.39 1bw4 h PRO 72 N 8.18 -0.47 -0.45 0.43 0.11 -1.86 0.83 132.00 138.77 1bw4 h PRO 72 Ca -0.29 0.03 0.16 0.00 0.11 0.00 0.00 66.00 66.01 1bw4 h PRO 72 Cb 1.11 0.11 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 1bw4 h PRO 72 CO 0.59 -0.31 0.13 0.00 -0.21 0.00 0.00 178.00 178.20 1bw4 n ALA 73 N -2.26 0.35 -0.09 -0.75 0.00 -1.26 -2.02 120.51 114.49 1bw4 n ALA 73 Ca -0.06 0.48 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 1bw4 n ALA 73 Cb 0.19 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 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 -4.26 1.00 0.00 0.00 -2.24 -1.23 -5.02 114.28 102.52 1bw4 n THR 74 Ca 0.14 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1bw4 n THR 74 Cb 0.47 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 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 2.51 0.65 3.80 3.38 0.00 0.28 -5.09 105.19 110.71 1bw4 n GLY 75 Ca -0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 2.18 0.19 4.61 0.00 -1.23 -4.75 121.76 120.77 1bw4 s ALA 76 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 1bw4 s ALA 76 Cb 0.00 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 20.05 1bw4 s ALA 76 CO 0.00 -1.81 0.51 1.14 0.00 0.00 0.00 175.76 175.60 1bw4 s GLN 77 N -5.18 1.36 0.36 0.00 1.03 -1.26 -0.20 119.66 115.76 1bw4 s GLN 77 Ca 0.61 -0.87 -0.14 0.00 0.04 0.00 0.00 55.36 55.01 1bw4 s GLN 77 Cb -0.14 0.51 0.04 0.00 0.03 0.00 0.00 33.01 33.45 1bw4 s GLN 77 CO 0.54 -0.57 0.71 -1.50 -2.54 0.00 0.00 175.29 171.92 1bw4 s ILE 78 N -3.87 0.00 -0.16 3.63 1.10 0.42 -4.90 121.20 117.42 1bw4 s ILE 78 Ca 0.09 -1.14 -0.01 0.00 -0.51 0.00 0.00 60.65 59.09 1bw4 s ILE 78 Cb -0.01 -2.71 0.04 0.00 0.15 0.00 0.00 42.46 39.93 1bw4 s ILE 78 CO -0.03 0.00 -0.03 -0.89 -2.11 0.00 0.00 174.94 171.88 1bw4 s THR 79 N -2.69 0.93 0.73 4.00 2.01 -1.26 -1.05 115.64 118.31 1bw4 s THR 79 Ca 0.18 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 1bw4 s THR 79 Cb -0.04 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.34 1bw4 s THR 79 CO 0.13 0.08 1.11 0.00 -0.69 0.00 0.00 174.62 175.25 1bw4 s ALA 80 N 1.71 2.84 -0.24 7.40 0.00 0.29 -4.80 121.76 128.96 1bw4 s ALA 80 Ca 0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 1bw4 s ALA 80 Cb -0.15 -2.99 -0.00 0.00 0.00 0.00 0.00 23.12 19.97 1bw4 s ALA 80 CO -0.07 -1.28 -0.01 -0.98 0.00 0.00 0.00 175.76 173.41 1bw4 s ARG 81 N -5.41 3.29 -0.10 0.00 3.03 -1.26 -0.08 118.95 118.43 1bw4 s ARG 81 Ca 0.59 -0.69 -0.20 0.00 2.03 0.00 0.00 55.73 57.46 1bw4 s ARG 81 Cb -0.11 -3.11 -0.04 0.00 -1.03 0.00 0.00 34.95 30.66 1bw4 s ARG 81 CO 0.51 -0.27 0.55 0.42 -1.13 0.00 0.00 175.30 175.39 1bw4 s ILE 82 N 1.48 5.14 0.00 4.99 1.01 0.22 0.27 121.20 134.31 1bw4 s ILE 82 Ca 0.05 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1bw4 s ILE 82 Cb -0.15 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1bw4 s ILE 82 CO -0.02 0.30 0.00 0.55 0.00 0.00 0.00 174.94 175.77 1bw4 n VAL 83 N 3.72 0.00 -4.01 2.92 3.14 -1.24 -2.30 118.33 120.57 1bw4 n VAL 83 Ca -0.05 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.22 1bw4 n VAL 83 Cb 0.51 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.26 1bw4 n VAL 83 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1bw4 n ASP 84 N -0.47 -0.76 -4.08 6.55 5.75 -1.21 -3.86 116.55 118.47 1bw4 n ASP 84 Ca 0.00 -2.36 -0.17 0.00 -0.01 0.00 0.00 54.79 52.25 1bw4 n ASP 84 Cb 0.00 1.51 -0.13 0.00 -1.03 0.00 0.00 41.12 41.48 1bw4 n ASP 84 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1bw4 s GLN 85 N -2.68 0.67 0.00 0.11 0.74 -1.26 -0.79 119.66 116.45 1bw4 s GLN 85 Ca 0.22 -0.65 0.00 0.00 0.05 0.00 0.00 55.36 54.99 1bw4 s GLN 85 Cb 0.00 -0.59 0.00 0.00 1.10 0.00 0.00 33.01 33.52 1bw4 s GLN 85 CO 0.16 0.14 0.00 0.00 -0.55 0.00 0.00 175.29 175.04 1bw4 n ALA 87 N -3.00 3.00 -3.91 0.00 0.00 -1.26 -4.87 120.51 110.46 1bw4 n ALA 87 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1bw4 n ALA 87 Cb 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 -5.83 4.94 0.00 0.00 2.20 -1.26 -5.10 114.94 109.89 1bw4 s ASN 88 Ca 0.00 -2.03 0.00 0.00 -0.94 0.00 0.00 52.86 49.89 1bw4 s ASN 88 Cb 0.00 -1.70 0.00 0.00 -2.00 0.00 0.00 41.25 37.55 1bw4 s ASN 88 CO 0.00 -0.43 0.00 0.61 -2.94 0.00 0.00 177.10 174.34 1bw4 n GLY 89 N 4.41 0.50 3.53 0.45 0.00 -1.26 -4.88 105.19 107.94 1bw4 n GLY 89 Ca -0.00 -2.17 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 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 0.23 1.21 -0.02 0.00 -1.26 -4.68 105.19 100.68 1bw4 n GLY 90 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 13.76 0.00 -3.58 0.99 -0.00 -1.26 -1.21 117.00 125.70 1bw4 n LEU 91 Ca 0.41 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 56.26 1bw4 n LEU 91 Cb 0.41 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.77 1bw4 n LEU 91 CO 0.75 -0.05 0.43 1.51 -0.00 0.00 0.00 177.39 180.03 1bw4 s ASP 92 N 0.00 -0.70 -0.66 1.45 -4.77 -0.81 -2.77 116.67 108.41 1bw4 s ASP 92 Ca 0.00 1.08 0.03 0.00 -3.30 0.00 0.00 52.55 50.36 1bw4 s ASP 92 Cb 0.00 1.00 0.36 0.00 -1.09 0.00 0.00 42.92 43.19 1bw4 s ASP 92 CO 0.00 -0.43 1.29 0.00 0.70 0.00 0.00 175.17 176.73 1bw4 n LEU 93 N 1.80 5.45 0.00 2.11 -0.00 -0.06 -0.58 117.00 125.72 1bw4 n LEU 93 Ca -0.16 -5.40 0.00 0.00 -0.00 0.00 0.00 56.01 50.44 1bw4 n LEU 93 Cb 0.56 -0.71 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 1bw4 n LEU 93 CO 0.13 2.20 0.00 0.47 -0.00 0.00 0.00 177.39 180.19 1bw4 n ASP 94 N -0.31 0.00 -2.73 1.45 8.00 0.66 -4.10 116.55 119.52 1bw4 n ASP 94 Ca 0.39 -0.49 -0.31 0.00 0.71 0.00 0.00 54.79 55.09 1bw4 n ASP 94 Cb 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.53 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 -0.72 3.36 -1.51 1.24 -0.00 -1.26 -3.03 117.44 115.52 1bw4 n TRP 95 Ca 0.00 -3.01 0.00 0.00 -0.00 0.00 0.00 57.50 54.49 1bw4 n TRP 95 Cb 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 31.31 30.83 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 -0.44 -0.38 -0.08 5.87 5.75 -1.26 -4.66 116.55 121.36 1bw4 n ASP 96 Ca 0.42 0.19 0.24 0.00 -0.01 0.00 0.00 54.79 55.63 1bw4 n ASP 96 Cb 0.49 -0.65 0.49 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.00 0.09 0.00 2.12 1.35 -1.97 0.43 112.91 114.93 1bw4 h THR 97 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 1bw4 h THR 97 Cb 0.38 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 66.97 1bw4 h THR 97 CO 0.00 0.00 -0.43 0.58 -0.25 0.00 0.00 175.52 175.42 1bw4 h VAL 98 N 0.00 0.52 0.42 6.82 2.07 -1.98 -3.31 116.25 120.79 1bw4 h VAL 98 Ca 0.37 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1bw4 h VAL 98 Cb 2.34 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1bw4 h VAL 98 CO -0.00 0.18 -0.20 0.15 0.02 0.00 0.00 177.57 177.71 1bw4 h PHE 99 N -1.00 -0.52 0.00 1.57 3.57 -0.69 0.26 116.94 120.12 1bw4 h PHE 99 Ca -0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1bw4 h PHE 99 Cb 0.62 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1bw4 h PHE 99 CO 0.00 -0.20 0.13 0.25 -2.23 0.00 0.00 178.31 176.26 1bw4 n THR 100 N -5.22 1.28 -0.10 4.41 -2.24 0.77 -1.19 114.28 112.00 1bw4 n THR 100 Ca -0.10 0.59 -0.20 0.00 -2.27 0.00 0.00 64.05 62.07 1bw4 n THR 100 Cb 0.29 -1.59 -0.08 0.00 -2.10 0.00 0.00 70.33 66.85 1bw4 n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bw4 n LYS 101 N -1.69 0.46 0.00 -0.78 4.76 -1.07 -4.68 118.16 115.16 1bw4 n LYS 101 Ca -0.00 0.17 0.13 0.00 -2.87 0.00 0.00 58.31 55.74 1bw4 n LYS 101 Cb 0.14 -1.29 0.40 0.00 -1.84 0.00 0.00 35.03 32.43 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 -3.68 0.00 0.04 -0.18 -5.35 0.90 -4.29 119.36 106.81 1bw4 n ILE 102 Ca -0.39 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1bw4 n ILE 102 Cb 0.82 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 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 -0.63 4.47 -0.69 7.28 5.68 -0.33 -4.55 116.55 127.78 1bw4 n ASP 103 Ca 0.13 -2.25 0.52 0.00 -0.50 0.00 0.00 54.79 52.68 1bw4 n ASP 103 Cb 0.34 -0.90 0.80 0.00 -1.14 0.00 0.00 41.12 40.23 1bw4 n ASP 103 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1bw4 n THR 104 N 1.14 0.00 0.01 2.12 -2.24 -1.26 0.17 114.28 114.22 1bw4 n THR 104 Ca 0.00 1.46 -0.03 0.00 -2.27 0.00 0.00 64.05 63.21 1bw4 n THR 104 Cb 0.50 -2.43 -0.10 0.00 -2.10 0.00 0.00 70.33 66.19 1bw4 n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bw4 h ASN 105 N 0.00 0.00 0.00 3.42 -1.07 -1.97 -3.49 115.58 112.47 1bw4 h ASN 105 Ca 0.92 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.29 1bw4 h ASN 105 Cb 3.71 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 39.96 1bw4 h ASN 105 CO -0.01 0.74 0.00 0.61 0.07 0.00 0.00 177.43 178.84 1bw4 n GLY 106 N 1.45 2.16 0.08 9.14 0.00 0.44 -4.85 105.19 113.61 1bw4 n GLY 106 Ca -0.12 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.10 -0.36 -0.61 2.08 -1.26 -0.21 119.36 118.91 1bw4 n ILE 107 Ca 0.00 0.51 0.04 0.00 0.56 0.00 0.00 62.75 63.86 1bw4 n ILE 107 Cb 0.00 -0.72 0.11 0.00 -0.75 0.00 0.00 39.64 38.28 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 -1.13 -1.72 0.20 7.39 0.00 -1.26 0.26 105.19 108.93 1bw4 n GLY 108 Ca 0.05 1.05 -0.05 0.00 0.00 0.00 0.00 46.02 47.07 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 0.43 -0.85 1.61 5.03 -0.90 0.32 116.97 122.61 1bw4 h TYR 109 Ca 0.44 0.02 0.17 0.00 2.58 0.00 0.00 58.73 61.93 1bw4 h TYR 109 Cb 0.68 -0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.77 1bw4 h TYR 109 CO -0.77 0.21 0.56 1.96 -1.32 0.00 0.00 178.16 178.79 1bw4 h GLN 110 N 0.47 0.48 0.04 1.82 1.08 -0.32 -3.00 115.11 115.68 1bw4 h GLN 110 Ca 0.21 -0.03 -0.37 0.00 -1.45 0.00 0.00 58.65 57.01 1bw4 h GLN 110 Cb 0.13 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 1bw4 h GLN 110 CO -0.15 0.32 -2.13 1.04 -0.95 0.00 0.00 178.83 176.96 1bw4 n GLN 111 N -4.52 0.66 0.00 1.46 1.13 -0.94 -5.02 117.38 110.15 1bw4 n GLN 111 Ca 0.17 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 1bw4 n GLN 111 Cb 0.57 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 29.30 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bw4 n GLY 112 N 1.87 1.35 3.65 1.08 0.00 0.11 -5.10 105.19 108.15 1bw4 n GLY 112 Ca -0.40 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.15 0.32 1.61 -3.43 -1.14 -3.96 115.29 106.54 1bw4 s HIS 113 Ca 0.00 -0.04 -0.15 0.00 -0.80 0.00 0.00 55.06 54.07 1bw4 s HIS 113 Cb 0.00 0.58 0.03 0.00 -1.43 0.00 0.00 32.58 31.76 1bw4 s HIS 113 CO 0.00 -0.57 0.66 -1.17 -2.00 0.00 0.00 174.74 171.66 1bw4 s LEU 114 N -2.78 0.14 -0.17 5.38 2.96 -0.43 -4.66 118.68 119.12 1bw4 s LEU 114 Ca 0.11 -0.99 0.01 0.00 -0.22 0.00 0.00 54.13 53.03 1bw4 s LEU 114 Cb 0.00 2.39 0.02 0.00 0.50 0.00 0.00 46.19 49.11 1bw4 s LEU 114 CO -0.02 -1.42 -0.18 0.21 -1.32 0.00 0.00 176.35 173.61 1bw4 s ASN 115 N -3.04 2.99 0.41 3.68 3.04 -1.26 -0.80 114.94 119.97 1bw4 s ASN 115 Ca 0.18 -0.60 0.04 0.00 0.04 0.00 0.00 52.86 52.52 1bw4 s ASN 115 Cb -0.04 -1.39 -0.02 0.00 -1.54 0.00 0.00 41.25 38.26 1bw4 s ASN 115 CO 0.11 -0.02 0.15 0.68 -3.04 0.00 0.00 177.10 174.98 1bw4 s VAL 116 N 1.34 0.50 0.03 -5.21 -7.23 -0.66 -4.45 120.40 104.73 1bw4 s VAL 116 Ca 0.05 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.29 1bw4 s VAL 116 Cb -0.13 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 1bw4 s VAL 116 CO -0.12 0.00 -0.22 0.20 -0.31 0.00 0.00 175.10 174.65 1bw4 s ASN 117 N -3.61 2.60 -0.12 4.85 0.01 -0.99 -1.03 114.94 116.66 1bw4 s ASN 117 Ca 0.24 -0.51 -0.10 0.00 -0.71 0.00 0.00 52.86 51.78 1bw4 s ASN 117 Cb 0.02 -0.23 0.03 0.00 0.41 0.00 0.00 41.25 41.48 1bw4 s ASN 117 CO 0.16 0.20 0.30 -0.72 -1.51 0.00 0.00 177.10 175.52 1bw4 s TYR 118 N -0.75 -0.34 -0.07 2.20 -0.85 -0.71 -2.31 117.35 114.52 1bw4 s TYR 118 Ca 0.08 0.83 0.02 0.00 -0.52 0.00 0.00 57.07 57.48 1bw4 s TYR 118 Cb -0.09 0.11 0.01 0.00 0.38 0.00 0.00 41.96 42.38 1bw4 s TYR 118 CO 0.01 -0.17 -0.12 -0.65 -1.52 0.00 0.00 175.55 173.10 1bw4 s GLN 119 N 0.31 1.69 0.16 -3.49 -1.52 -0.43 -1.10 119.66 115.29 1bw4 s GLN 119 Ca -0.01 -0.40 -0.32 0.00 -1.95 0.00 0.00 55.36 52.68 1bw4 s GLN 119 Cb -0.03 -1.43 -0.10 0.00 -0.22 0.00 0.00 33.01 31.23 1bw4 s GLN 119 CO -0.01 0.00 1.59 -0.06 -0.25 0.00 0.00 175.29 176.56 1bw4 s PHE 120 N 0.76 3.00 0.12 0.91 0.40 -0.05 -0.58 117.98 122.55 1bw4 s PHE 120 Ca -0.13 0.58 0.02 0.00 -0.60 0.00 0.00 56.93 56.80 1bw4 s PHE 120 Cb -0.16 -3.94 -0.04 0.00 0.51 0.00 0.00 43.02 39.39 1bw4 s PHE 120 CO 0.03 -3.52 -0.04 0.08 0.70 0.00 0.00 175.22 172.47 1bw4 s VAL 121 N 1.27 0.68 0.50 -0.44 1.01 -0.17 -4.83 120.40 118.42 1bw4 s VAL 121 Ca 0.71 -1.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 1bw4 s VAL 121 Cb -0.44 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1bw4 s VAL 121 CO 0.31 -0.73 0.77 -0.62 0.00 0.00 0.00 175.10 174.83 1bw4 s ASP 122 N -3.09 5.88 0.19 3.32 2.15 -1.26 -0.85 116.67 123.02 1bw4 s ASP 122 Ca 0.16 0.61 0.22 0.00 0.43 0.00 0.00 52.55 53.97 1bw4 s ASP 122 Cb 0.06 -1.81 -0.01 0.00 -0.30 0.00 0.00 42.92 40.86 1bw4 s ASP 122 CO -0.02 -0.77 1.03 0.00 -0.17 0.00 0.00 175.17 175.24 1bw4 n ARG 124 N -2.71 -3.22 0.00 0.00 3.00 -1.26 -5.10 116.66 107.37 1bw4 n ARG 124 Ca -0.01 0.44 0.14 0.00 -0.00 0.00 0.00 57.85 58.42 1bw4 n ARG 124 Cb 0.59 -4.55 0.81 0.00 0.00 0.00 0.00 32.46 29.31 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16