#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 1.47 -0.06 5.31 -0.21 -1.26 -1.05 119.66 123.86 1bw4 s GLN 2 Ca 0.00 -0.86 0.04 0.00 0.02 0.00 0.00 55.36 54.56 1bw4 s GLN 2 Cb 0.00 -2.47 0.00 0.00 1.00 0.00 0.00 33.01 31.54 1bw4 s GLN 2 CO 0.00 -0.59 -0.18 0.00 -2.12 0.00 0.00 175.29 172.40 1bw4 s ALA 3 N 1.49 1.62 0.40 6.09 0.00 -0.24 -5.02 121.76 126.09 1bw4 s ALA 3 Ca -0.05 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.27 1bw4 s ALA 3 Cb -0.18 -0.58 -0.07 0.00 0.00 0.00 0.00 23.12 22.29 1bw4 s ALA 3 CO -0.07 0.25 0.02 -0.80 0.00 0.00 0.00 175.76 175.17 1bw4 s ASN 4 N 0.22 3.50 -0.90 0.00 -0.87 -1.26 -1.07 114.94 114.56 1bw4 s ASN 4 Ca -0.09 -1.41 -0.09 0.00 -1.57 0.00 0.00 52.86 49.70 1bw4 s ASN 4 Cb -0.14 -0.21 0.01 0.00 -0.02 0.00 0.00 41.25 40.89 1bw4 s ASN 4 CO 0.04 -0.54 0.18 0.47 -2.57 0.00 0.00 177.10 174.67 1bw4 n ASP 5 N -0.94 -0.70 -4.69 -1.22 8.00 -1.23 -4.92 116.55 110.85 1bw4 n ASP 5 Ca -0.06 -0.82 -0.31 0.00 0.71 0.00 0.00 54.79 54.31 1bw4 n ASP 5 Cb 0.67 -1.01 -0.08 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 -3.96 4.11 -0.66 2.53 1.01 -0.96 -4.95 120.40 117.52 1bw4 s VAL 6 Ca 0.13 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 1bw4 s VAL 6 Cb -0.07 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.50 1bw4 s VAL 6 CO 0.63 0.25 0.90 -0.13 0.00 0.00 0.00 175.10 176.75 1bw4 s ARG 7 N -1.92 3.12 -0.36 2.72 0.52 -1.26 -2.22 118.95 119.55 1bw4 s ARG 7 Ca 0.23 -1.02 -0.20 0.00 -0.52 0.00 0.00 55.73 54.22 1bw4 s ARG 7 Cb -0.12 -4.28 0.00 0.00 0.52 0.00 0.00 34.95 31.08 1bw4 s ARG 7 CO 0.14 -1.74 0.61 0.00 0.02 0.00 0.00 175.30 174.33 1bw4 s ALA 8 N 3.62 3.46 0.00 2.13 0.00 0.49 -4.87 121.76 126.59 1bw4 s ALA 8 Ca 0.20 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1bw4 s ALA 8 Cb -0.18 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1bw4 s ALA 8 CO 0.08 -1.33 0.00 0.25 0.00 0.00 0.00 175.76 174.76 1bw4 n THR 9 N 5.56 0.00 -3.17 0.00 -2.24 -1.23 -0.76 114.28 112.43 1bw4 n THR 9 Ca -0.02 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.79 1bw4 n THR 9 Cb 0.49 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.56 -1.80 0.15 4.78 -0.85 -0.85 -4.74 117.35 115.60 1bw4 s TYR 10 Ca 0.00 0.90 -0.30 0.00 -0.52 0.00 0.00 57.07 57.15 1bw4 s TYR 10 Cb 0.00 0.30 -0.07 0.00 0.38 0.00 0.00 41.96 42.57 1bw4 s TYR 10 CO 0.00 -1.10 0.95 -1.58 -1.52 0.00 0.00 175.55 172.30 1bw4 s HIS 11 N 2.63 3.86 -1.01 -3.49 2.46 -1.04 -4.49 115.29 114.21 1bw4 s HIS 11 Ca 0.11 1.83 -0.05 0.00 0.47 0.00 0.00 55.06 57.42 1bw4 s HIS 11 Cb -0.09 -3.03 0.26 0.00 -0.13 0.00 0.00 32.58 29.60 1bw4 s HIS 11 CO -0.23 0.28 1.05 2.48 -2.47 0.00 0.00 174.74 175.86 1bw4 n TYR 12 N 2.41 4.30 -2.70 3.88 4.11 -1.25 -1.94 117.16 125.97 1bw4 n TYR 12 Ca 0.01 -3.77 -0.43 0.00 -0.00 0.00 0.00 57.90 53.71 1bw4 n TYR 12 Cb 0.49 -1.37 -0.02 0.00 -0.00 0.00 0.00 39.34 38.43 1bw4 n TYR 12 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1bw4 s TYR 13 N -1.66 3.36 0.00 -3.48 6.14 -0.30 -4.73 117.35 116.67 1bw4 s TYR 13 Ca 0.30 1.43 0.00 0.00 0.64 0.00 0.00 57.07 59.45 1bw4 s TYR 13 Cb -0.05 -3.22 0.00 0.00 0.42 0.00 0.00 41.96 39.11 1bw4 s TYR 13 CO -0.06 -0.43 0.00 0.54 0.64 0.00 0.00 175.55 176.24 1bw4 n ARG 14 N 6.09 0.00 -0.53 4.97 3.00 -1.26 -2.36 116.66 126.56 1bw4 n ARG 14 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 1bw4 n ARG 14 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 1bw4 n ARG 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1bw4 n PRO 15 N 0.02 1.15 0.15 5.56 -0.04 -1.26 -4.70 135.00 135.88 1bw4 n PRO 15 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1bw4 n PRO 15 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -3.00 0.00 -0.22 0.55 0.00 -1.26 -2.30 120.51 114.28 1bw4 n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bw4 n ALA 16 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1bw4 n ALA 16 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bw4 h GLN 17 N 0.00 0.02 -1.89 0.00 4.15 -1.99 0.94 115.11 116.34 1bw4 h GLN 17 Ca 0.00 -0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.75 1bw4 h GLN 17 Cb 0.93 -0.00 -0.36 0.00 0.21 0.00 0.00 27.48 28.26 1bw4 h GLN 17 CO 0.00 0.01 0.00 -1.71 -1.93 0.00 0.00 178.83 175.20 1bw4 n ASN 18 N -5.41 5.78 -3.93 -0.69 4.05 -0.97 -4.83 115.26 109.24 1bw4 n ASN 18 Ca 0.08 -3.74 -0.30 0.00 0.45 0.00 0.00 54.58 51.07 1bw4 n ASN 18 Cb 0.35 -0.74 -0.07 0.00 1.23 0.00 0.00 39.78 40.55 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bw4 n ASN 19 N -0.40 -0.41 -3.00 1.20 5.15 0.33 -1.15 115.26 116.98 1bw4 n ASN 19 Ca 0.43 -1.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.19 1bw4 n ASN 19 Cb 0.44 -1.27 -0.04 0.00 -0.53 0.00 0.00 39.78 38.38 1bw4 n ASN 19 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1bw4 n TRP 20 N -3.58 -0.63 -1.55 1.20 2.14 -1.08 -4.75 117.44 109.20 1bw4 n TRP 20 Ca -0.07 0.34 -0.22 0.00 2.07 0.00 0.00 57.50 59.61 1bw4 n TRP 20 Cb 0.45 -0.94 -0.08 0.00 -0.81 0.00 0.00 31.31 29.93 1bw4 n TRP 20 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 1bw4 n ASP 21 N -0.89 1.57 0.31 -0.67 -0.08 -0.30 -4.74 116.55 111.74 1bw4 n ASP 21 Ca 0.06 -1.03 0.09 0.00 -1.51 0.00 0.00 54.79 52.40 1bw4 n ASP 21 Cb 0.24 -1.50 0.48 0.00 2.34 0.00 0.00 41.12 42.68 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 20.12 0.00 -3.50 -2.67 3.38 -1.91 0.27 115.31 131.00 1bw4 h LEU 22 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1bw4 h LEU 22 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1bw4 h LEU 22 CO 1.13 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.27 1bw4 n GLY 23 N -1.31 3.11 3.79 0.83 0.00 -1.26 -0.14 105.19 110.21 1bw4 n GLY 23 Ca -0.01 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.70 3.39 0.44 4.61 0.00 0.95 -4.71 121.76 123.74 1bw4 s ALA 24 Ca 0.53 0.31 0.31 0.00 0.00 0.00 0.00 51.96 53.11 1bw4 s ALA 24 Cb 0.40 -2.94 1.46 0.00 0.00 0.00 0.00 23.12 22.04 1bw4 s ALA 24 CO 0.16 0.29 1.60 -1.00 0.00 0.00 0.00 175.76 176.81 1bw4 h PRO 25 N 3.71 0.05 -0.28 0.00 0.13 -1.93 0.31 132.00 133.99 1bw4 h PRO 25 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1bw4 h PRO 25 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1bw4 h PRO 25 CO 0.65 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 1bw4 n ALA 26 N -2.52 2.46 0.07 -0.56 0.00 -1.26 -4.49 120.51 114.21 1bw4 n ALA 26 Ca 0.39 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1bw4 n ALA 26 Cb 1.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.36 0.35 -3.19 0.00 0.31 0.96 -4.92 118.33 112.21 1bw4 n VAL 27 Ca 0.11 0.11 -0.13 0.00 -0.01 0.00 0.00 64.34 64.42 1bw4 n VAL 27 Cb 0.26 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 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 -3.15 -2.54 -4.77 4.52 3.41 -0.35 -4.84 113.62 105.90 1bw4 n SER 28 Ca 0.00 -0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 57.71 1bw4 n SER 28 Cb 0.00 -0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 63.07 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 -2.52 3.19 0.00 7.33 0.00 0.80 -4.96 121.76 125.61 1bw4 s ALA 29 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1bw4 s ALA 29 Cb -0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1bw4 s ALA 29 CO 0.48 -0.33 0.12 0.98 0.00 0.00 0.00 175.76 177.01 1bw4 n TYR 30 N 0.30 0.00 1.60 0.00 4.19 -1.26 -0.13 117.16 121.86 1bw4 n TYR 30 Ca 0.03 0.00 0.15 0.00 3.31 0.00 0.00 57.90 61.39 1bw4 n TYR 30 Cb 0.47 -0.06 0.70 0.00 0.49 0.00 0.00 39.34 40.94 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 -0.78 -0.55 -0.40 0.00 0.00 0.82 0.08 120.51 119.68 1bw4 n ALA 32 Ca 0.18 0.74 0.35 0.00 0.00 0.00 0.00 53.44 54.71 1bw4 n ALA 32 Cb 0.24 -0.11 0.54 0.00 0.00 0.00 0.00 19.45 20.12 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 -5.07 0.00 -0.05 0.00 -1.04 -1.26 -0.02 114.28 106.84 1bw4 n THR 33 Ca 0.02 1.19 -0.11 0.00 -2.04 0.00 0.00 64.05 63.11 1bw4 n THR 33 Cb 0.23 -2.06 -0.04 0.00 -1.82 0.00 0.00 70.33 66.63 1bw4 n THR 33 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1bw4 n TRP 34 N -3.32 0.00 0.11 -1.42 8.01 0.11 -4.74 117.44 116.20 1bw4 n TRP 34 Ca 0.29 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 56.25 1bw4 n TRP 34 Cb 1.55 -0.38 -0.15 0.00 -2.01 0.00 0.00 31.31 30.31 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 -0.35 0.69 -0.67 -0.99 5.19 0.29 -3.30 116.42 117.29 1bw4 h ASP 35 Ca -0.27 -0.93 0.19 0.00 -0.62 0.00 0.00 57.03 55.40 1bw4 h ASP 35 Cb 1.25 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 40.51 1bw4 h ASP 35 CO -0.15 1.58 0.62 0.00 -3.12 0.00 0.00 179.24 178.17 1bw4 h ALA 36 N 0.12 2.48 0.00 3.45 0.00 -0.62 0.16 119.26 124.85 1bw4 h ALA 36 Ca -0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1bw4 h ALA 36 Cb 1.95 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 1bw4 h ALA 36 CO 0.22 -0.96 -0.10 0.66 0.00 0.00 0.00 179.25 179.08 1bw4 h SER 37 N 0.00 0.00 -3.64 0.00 4.64 -1.66 -3.43 113.55 109.46 1bw4 h SER 37 Ca 0.32 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.13 1bw4 h SER 37 Cb 1.55 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.61 1bw4 h SER 37 CO -0.00 0.10 0.16 -0.54 -0.87 0.00 0.00 176.83 175.68 1bw4 s LYS 38 N -4.50 4.34 0.67 4.77 -0.14 0.57 -5.04 119.74 120.40 1bw4 s LYS 38 Ca -0.04 0.98 -0.17 0.00 -1.36 0.00 0.00 55.97 55.38 1bw4 s LYS 38 Cb 0.15 -2.88 -0.05 0.00 -1.68 0.00 0.00 37.83 33.37 1bw4 s LYS 38 CO 0.61 0.38 0.56 -0.35 -0.76 0.00 0.00 175.35 175.79 1bw4 n PRO 39 N 0.72 0.41 -0.48 -1.68 -0.04 -1.26 -4.80 135.00 127.87 1bw4 n PRO 39 Ca -0.02 0.18 0.42 0.00 -0.04 0.00 0.00 63.50 64.04 1bw4 n PRO 39 Cb 0.51 -1.82 0.76 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.11 0.05 0.00 1.53 -0.00 -1.96 -3.20 115.31 111.63 1bw4 h LEU 40 Ca -0.46 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 1bw4 h LEU 40 Cb 1.37 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 1bw4 h LEU 40 CO 0.45 -0.02 0.00 -1.20 -0.00 0.00 0.00 178.44 177.67 1bw4 n SER 41 N -4.17 0.00 -0.05 -0.43 7.64 -1.26 -0.42 113.62 114.92 1bw4 n SER 41 Ca 0.34 0.54 -0.09 0.00 1.01 0.00 0.00 58.87 60.67 1bw4 n SER 41 Cb 1.54 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 64.64 1bw4 n SER 41 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1bw4 h TRP 42 N 0.00 0.19 -0.87 1.43 7.01 -1.92 0.41 115.95 122.21 1bw4 h TRP 42 Ca 0.00 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.11 1bw4 h TRP 42 Cb 0.00 -0.05 -0.12 0.00 -2.10 0.00 0.00 29.16 26.89 1bw4 h TRP 42 CO -0.13 0.11 -0.45 0.54 -2.79 0.00 0.00 178.44 175.72 1bw4 n ARG 43 N -5.00 -0.32 0.01 2.65 1.74 -0.93 -1.95 116.66 112.85 1bw4 n ARG 43 Ca -0.02 1.32 -0.10 0.00 -0.77 0.00 0.00 57.85 58.28 1bw4 n ARG 43 Cb 0.06 -1.94 -0.14 0.00 -1.02 0.00 0.00 32.46 29.43 1bw4 n ARG 43 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1bw4 h SER 44 N 0.00 0.07 -0.97 0.55 4.64 -0.61 -3.38 113.55 113.85 1bw4 h SER 44 Ca 0.20 -0.12 0.32 0.00 -0.47 0.00 0.00 61.79 61.72 1bw4 h SER 44 Cb 0.41 -0.02 -0.16 0.00 -0.31 0.00 0.00 62.40 62.32 1bw4 h SER 44 CO -0.83 1.10 0.39 0.50 -0.87 0.00 0.00 176.83 177.12 1bw4 h LYS 45 N 0.01 0.15 0.00 4.77 3.64 0.49 -3.41 116.57 122.22 1bw4 h LYS 45 Ca -0.22 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1bw4 h LYS 45 Cb 1.95 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.74 1bw4 h LYS 45 CO 0.10 0.10 0.00 0.98 -2.27 0.00 0.00 179.45 178.36 1bw4 n TYR 46 N -5.23 0.00 -0.07 1.91 4.19 -1.14 -5.07 117.16 111.75 1bw4 n TYR 46 Ca 0.30 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.45 1bw4 n TYR 46 Cb 0.97 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.77 1bw4 n TYR 46 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 1bw4 h GLY 47 N 0.00 0.00 -5.68 2.98 0.00 -1.79 -3.46 103.07 95.11 1bw4 h GLY 47 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1bw4 h GLY 47 CO 0.00 0.00 -0.69 -2.67 0.00 0.00 0.00 176.54 173.18 1bw4 n TRP 48 N -4.65 -2.61 -2.66 5.60 4.27 -1.15 -4.62 117.44 111.62 1bw4 n TRP 48 Ca -0.08 0.97 -0.33 0.00 -3.89 0.00 0.00 57.50 54.17 1bw4 n TRP 48 Cb 0.25 -4.97 -0.06 0.00 -1.36 0.00 0.00 31.31 25.17 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 -3.32 4.45 0.48 -1.67 -4.23 0.65 -4.51 115.64 107.48 1bw4 s THR 49 Ca 0.40 1.38 -0.05 0.00 -1.18 0.00 0.00 61.69 62.24 1bw4 s THR 49 Cb -0.17 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 1bw4 s THR 49 CO 0.71 -0.46 0.77 0.00 -0.54 0.00 0.00 174.62 175.10 1bw4 s ALA 50 N -2.35 3.43 -0.11 3.99 0.00 -1.24 -2.44 121.76 123.05 1bw4 s ALA 50 Ca 0.61 -0.56 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 1bw4 s ALA 50 Cb -0.09 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.53 1bw4 s ALA 50 CO 0.20 -0.35 0.26 0.12 0.00 0.00 0.00 175.76 175.99 1bw4 s PHE 51 N -2.72 -0.33 -0.42 0.00 2.19 0.15 -2.55 117.98 114.30 1bw4 s PHE 51 Ca 0.47 0.79 0.08 0.00 0.33 0.00 0.00 56.93 58.60 1bw4 s PHE 51 Cb -0.10 0.08 0.37 0.00 -1.31 0.00 0.00 43.02 42.05 1bw4 s PHE 51 CO 0.44 -0.21 1.28 0.00 1.83 0.00 0.00 175.22 178.56 1bw4 n GLY 53 N -0.29 1.79 0.18 0.00 0.00 -1.26 -1.33 105.19 104.29 1bw4 n GLY 53 Ca -0.00 -2.12 -0.18 0.00 0.00 0.00 0.00 46.02 43.73 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 0.61 -4.06 1.61 0.13 -1.97 -3.41 132.00 124.92 1bw4 h PRO 54 Ca -0.02 -0.56 -0.61 0.00 -0.87 0.00 0.00 66.00 63.94 1bw4 h PRO 54 Cb 0.09 0.13 -0.40 0.00 0.13 0.00 0.00 31.00 30.96 1bw4 h PRO 54 CO 0.03 1.18 -0.75 0.00 -0.23 0.00 0.00 178.00 178.22 1bw4 s ALA 55 N -3.53 1.97 -0.42 -0.56 0.00 -1.26 -5.04 121.76 112.91 1bw4 s ALA 55 Ca -0.12 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.12 1bw4 s ALA 55 Cb 0.06 -1.64 0.19 0.00 0.00 0.00 0.00 23.12 21.73 1bw4 s ALA 55 CO 0.87 -1.52 0.79 0.20 0.00 0.00 0.00 175.76 176.10 1bw4 s GLY 56 N 1.39 -1.40 -0.50 0.00 0.00 -1.26 -3.58 107.32 101.96 1bw4 s GLY 56 Ca 0.05 0.23 -0.26 0.00 0.00 0.00 0.00 44.72 44.74 1bw4 s GLY 56 CO -0.15 3.86 2.16 2.56 0.00 0.00 0.00 173.10 181.52 1bw4 s PRO 57 N 1.42 2.44 0.25 2.90 0.05 -1.26 -4.88 135.00 135.93 1bw4 s PRO 57 Ca 0.21 1.17 0.05 0.00 0.05 0.00 0.00 61.00 62.47 1bw4 s PRO 57 Cb 0.01 -4.47 -0.02 0.00 0.05 0.00 0.00 34.50 30.07 1bw4 s PRO 57 CO -0.08 -2.91 0.16 -2.13 0.05 0.00 0.00 177.00 172.09 1bw4 n ARG 58 N 9.02 0.42 0.00 4.56 0.63 -1.26 -4.95 116.66 125.08 1bw4 n ARG 58 Ca 0.29 -2.36 0.00 0.00 -0.92 0.00 0.00 57.85 54.86 1bw4 n ARG 58 Cb 0.53 1.71 0.00 0.00 0.45 0.00 0.00 32.46 35.14 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 -0.25 2.76 0.00 5.14 0.00 -1.26 -5.02 105.19 106.55 1bw4 n GLY 59 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 -0.66 1.61 6.02 -1.26 -4.65 117.38 118.44 1bw4 n GLN 60 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 1bw4 n GLN 60 Cb 0.00 -0.11 -0.06 0.00 1.02 0.00 0.00 30.24 31.08 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 -2.13 4.74 -0.08 -1.58 0.00 -1.26 -3.11 120.51 117.09 1bw4 n ALA 61 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 53.44 52.65 1bw4 n ALA 61 Cb 0.00 -1.57 -0.10 0.00 0.00 0.00 0.00 19.45 17.78 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 1.94 1.65 0.11 0.00 0.00 -1.26 -4.28 120.51 118.67 1bw4 n ALA 62 Ca 0.16 -0.84 0.01 0.00 0.00 0.00 0.00 53.44 52.77 1bw4 n ALA 62 Cb 0.63 0.02 0.04 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.80 2.73 3.48 0.00 0.00 -1.26 -4.91 105.19 104.42 1bw4 n GLY 64 Ca 0.01 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.54 1.89 0.34 1.61 1.02 0.40 -4.78 119.74 118.68 1bw4 s LYS 65 Ca 0.14 -2.14 0.02 0.00 0.02 0.00 0.00 55.97 54.01 1bw4 s LYS 65 Cb 0.12 -0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 36.96 1bw4 s LYS 65 CO 0.01 -0.50 0.08 0.00 -0.92 0.00 0.00 175.35 174.02 1bw4 s LEU 67 N 0.00 1.93 -0.10 0.00 0.20 -0.09 -0.77 118.68 119.85 1bw4 s LEU 67 Ca 0.11 -0.14 -0.01 0.00 0.69 0.00 0.00 54.13 54.78 1bw4 s LEU 67 Cb 0.01 -0.40 -0.03 0.00 -0.43 0.00 0.00 46.19 45.33 1bw4 s LEU 67 CO 0.08 0.08 -0.04 -0.60 -0.29 0.00 0.00 176.35 175.58 1bw4 s ARG 68 N -0.05 3.06 -0.02 1.98 3.52 -0.34 -0.36 118.95 126.75 1bw4 s ARG 68 Ca 0.01 -0.49 0.03 0.00 -0.13 0.00 0.00 55.73 55.15 1bw4 s ARG 68 Cb -0.04 -2.74 -0.00 0.00 -1.56 0.00 0.00 34.95 30.60 1bw4 s ARG 68 CO -0.00 0.57 -0.11 0.08 -0.81 0.00 0.00 175.30 175.03 1bw4 s VAL 69 N -0.54 0.90 0.01 7.11 1.01 -0.52 -2.37 120.40 126.00 1bw4 s VAL 69 Ca 0.08 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1bw4 s VAL 69 Cb -0.12 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1bw4 s VAL 69 CO 0.02 0.26 -0.06 -0.89 0.00 0.00 0.00 175.10 174.44 1bw4 s THR 70 N -0.06 0.42 -0.28 3.92 2.01 -1.05 -0.23 115.64 120.36 1bw4 s THR 70 Ca 0.01 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 1bw4 s THR 70 Cb -0.07 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.05 1bw4 s THR 70 CO 0.00 -0.07 0.05 0.21 -0.69 0.00 0.00 174.62 174.12 1bw4 s ASN 71 N -0.63 4.96 0.00 3.53 2.47 0.14 -2.07 114.94 123.35 1bw4 s ASN 71 Ca -0.03 -0.71 0.00 0.00 0.42 0.00 0.00 52.86 52.54 1bw4 s ASN 71 Cb -0.05 -1.84 0.00 0.00 -1.45 0.00 0.00 41.25 37.91 1bw4 s ASN 71 CO -0.00 -0.17 0.68 -2.65 -3.72 0.00 0.00 177.10 171.24 1bw4 n PRO 72 N 4.83 0.00 0.00 0.43 -0.02 -1.26 0.05 135.00 139.03 1bw4 n PRO 72 Ca -0.15 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1bw4 n PRO 72 Cb 0.48 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 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 -1.22 0.00 -0.02 3.55 0.00 -1.26 -0.16 120.51 121.40 1bw4 n ALA 73 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1bw4 n ALA 73 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.23 0.29 -0.29 0.00 -2.24 -1.25 -5.02 114.28 102.54 1bw4 n THR 74 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1bw4 n THR 74 Cb 0.00 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 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 2.53 0.66 3.74 3.38 0.00 0.11 -5.04 105.19 110.57 1bw4 n GLY 75 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.56 3.51 -0.01 4.61 0.00 -1.18 -4.74 121.76 121.39 1bw4 s ALA 76 Ca 0.00 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 53.00 1bw4 s ALA 76 Cb 0.00 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 1bw4 s ALA 76 CO 0.00 -0.51 0.10 1.14 0.00 0.00 0.00 175.76 176.49 1bw4 s GLN 77 N -0.33 0.37 0.29 0.00 -2.07 -1.26 0.25 119.66 116.91 1bw4 s GLN 77 Ca 0.55 -0.31 -0.01 0.00 -1.82 0.00 0.00 55.36 53.78 1bw4 s GLN 77 Cb -0.36 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 31.72 1bw4 s GLN 77 CO 0.39 -0.08 0.39 1.51 -1.32 0.00 0.00 175.29 176.19 1bw4 n ILE 78 N 1.85 0.00 -3.99 3.63 0.13 0.68 -4.99 119.36 116.67 1bw4 n ILE 78 Ca -0.21 -1.54 -0.20 0.00 -1.10 0.00 0.00 62.75 59.70 1bw4 n ILE 78 Cb 0.56 0.93 -0.17 0.00 -0.84 0.00 0.00 39.64 40.12 1bw4 n ILE 78 CO 0.00 0.00 0.00 -0.89 2.80 0.00 0.00 176.55 178.46 1bw4 s THR 79 N -2.79 0.41 0.36 9.51 2.01 -1.26 -1.44 115.64 122.44 1bw4 s THR 79 Ca 0.25 -0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.33 1bw4 s THR 79 Cb -0.01 -0.49 -0.06 0.00 0.01 0.00 0.00 72.50 71.96 1bw4 s THR 79 CO 0.18 0.22 0.04 0.00 -0.69 0.00 0.00 174.62 174.37 1bw4 s ALA 80 N 1.25 3.26 -0.13 7.40 0.00 0.52 -4.32 121.76 129.74 1bw4 s ALA 80 Ca -0.06 -2.02 -0.05 0.00 0.00 0.00 0.00 51.96 49.83 1bw4 s ALA 80 Cb -0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1bw4 s ALA 80 CO -0.02 0.01 0.03 0.50 0.00 0.00 0.00 175.76 176.28 1bw4 s ARG 81 N -3.75 3.48 -1.28 0.00 3.52 -1.26 -0.91 118.95 118.75 1bw4 s ARG 81 Ca 0.36 -0.37 -0.08 0.00 -0.13 0.00 0.00 55.73 55.50 1bw4 s ARG 81 Cb 0.02 -3.00 0.16 0.00 -1.56 0.00 0.00 34.95 30.57 1bw4 s ARG 81 CO 0.20 0.49 1.99 -0.89 -0.81 0.00 0.00 175.30 176.27 1bw4 n ILE 82 N 2.82 4.60 0.07 4.11 5.41 0.67 0.24 119.36 137.28 1bw4 n ILE 82 Ca -0.18 -4.43 -0.10 0.00 1.00 0.00 0.00 62.75 59.04 1bw4 n ILE 82 Cb 0.53 -2.28 -0.13 0.00 -0.71 0.00 0.00 39.64 37.05 1bw4 n ILE 82 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1bw4 h VAL 83 N 3.45 1.64 -3.33 1.39 -1.51 -1.71 -3.38 116.25 112.81 1bw4 h VAL 83 Ca 0.46 -3.31 -0.67 0.00 -1.23 0.00 0.00 66.70 61.96 1bw4 h VAL 83 Cb 0.55 2.88 -0.30 0.00 -2.13 0.00 0.00 31.29 32.29 1bw4 h VAL 83 CO 1.59 0.95 -0.82 -0.62 -1.23 0.00 0.00 177.57 177.43 1bw4 s ASP 84 N -6.85 3.54 -0.17 4.19 -1.08 -1.20 -3.20 116.67 111.90 1bw4 s ASP 84 Ca -0.01 -0.45 -0.02 0.00 -0.52 0.00 0.00 52.55 51.55 1bw4 s ASP 84 Cb 0.09 -1.51 -0.01 0.00 -1.46 0.00 0.00 42.92 40.03 1bw4 s ASP 84 CO 0.84 0.16 -0.08 -1.10 0.52 0.00 0.00 175.17 175.51 1bw4 s GLN 85 N 0.37 3.40 0.41 4.34 1.11 -1.26 0.31 119.66 128.34 1bw4 s GLN 85 Ca -0.15 -0.64 0.00 0.00 0.01 0.00 0.00 55.36 54.58 1bw4 s GLN 85 Cb -0.17 -2.83 0.00 0.00 -1.01 0.00 0.00 33.01 29.00 1bw4 s GLN 85 CO 0.07 0.02 0.03 0.00 0.01 0.00 0.00 175.29 175.42 1bw4 n ALA 87 N -1.74 0.00 -2.53 0.00 0.00 -1.26 -4.65 120.51 110.33 1bw4 n ALA 87 Ca -0.17 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 1bw4 n ALA 87 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 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 -3.34 2.48 0.00 0.00 4.22 -1.26 -4.83 114.94 112.20 1bw4 s ASN 88 Ca 0.00 -0.73 0.00 0.00 -2.14 0.00 0.00 52.86 49.99 1bw4 s ASN 88 Cb 0.00 -0.13 0.00 0.00 1.28 0.00 0.00 41.25 42.40 1bw4 s ASN 88 CO 0.00 0.01 0.00 0.61 -2.04 0.00 0.00 177.10 175.68 1bw4 n GLY 89 N 0.87 0.79 0.11 0.45 0.00 -0.44 -4.94 105.19 102.03 1bw4 n GLY 89 Ca -0.18 -2.11 0.01 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.73 -0.56 0.00 -0.02 0.00 -1.26 -3.98 105.19 98.64 1bw4 n GLY 90 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1bw4 n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bw4 n LEU 91 N -4.46 0.00 0.00 0.99 0.00 -1.26 -2.01 117.00 110.26 1bw4 n LEU 91 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.05 1bw4 n LEU 91 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.55 1bw4 n LEU 91 CO -0.04 0.00 0.00 -0.90 0.00 0.00 0.00 177.39 176.45 1bw4 n ASP 92 N 0.00 0.00 -4.54 1.96 5.68 -0.82 -0.85 116.55 117.98 1bw4 n ASP 92 Ca 0.00 -0.87 -0.43 0.00 -0.50 0.00 0.00 54.79 52.99 1bw4 n ASP 92 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1bw4 n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1bw4 s LEU 93 N 0.00 4.17 0.75 -2.12 1.43 -1.06 -1.15 118.68 120.71 1bw4 s LEU 93 Ca 0.00 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 52.81 1bw4 s LEU 93 Cb 0.00 -3.00 -0.14 0.00 0.03 0.00 0.00 46.19 43.07 1bw4 s LEU 93 CO 0.00 -1.00 -1.08 -0.67 0.23 0.00 0.00 176.35 173.83 1bw4 n ASP 94 N 6.96 -2.69 0.00 2.29 2.03 -1.00 -3.61 116.55 120.53 1bw4 n ASP 94 Ca 0.03 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1bw4 n ASP 94 Cb 0.48 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 -2.50 0.00 -1.79 -0.67 -0.00 -1.26 -4.73 117.44 106.49 1bw4 n TRP 95 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 1bw4 n TRP 95 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.85 1bw4 n TRP 95 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1bw4 n ASP 96 N 0.00 0.00 -0.50 5.87 9.92 -1.26 -4.71 116.55 125.88 1bw4 n ASP 96 Ca 0.00 0.00 0.41 0.00 -0.53 0.00 0.00 54.79 54.67 1bw4 n ASP 96 Cb 0.00 0.00 0.68 0.00 -0.64 0.00 0.00 41.12 41.16 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1bw4 n THR 97 N -0.38 -0.22 0.22 -3.53 -2.24 -1.26 0.12 114.28 107.00 1bw4 n THR 97 Ca 0.00 1.73 -0.12 0.00 -2.27 0.00 0.00 64.05 63.39 1bw4 n THR 97 Cb 0.00 -2.84 -0.07 0.00 -2.10 0.00 0.00 70.33 65.32 1bw4 n THR 97 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1bw4 h VAL 98 N 0.00 0.29 0.12 2.28 2.07 -1.96 -3.19 116.25 115.87 1bw4 h VAL 98 Ca 0.87 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 67.85 1bw4 h VAL 98 Cb 2.91 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 33.08 1bw4 h VAL 98 CO -0.40 0.06 -0.37 0.15 0.02 0.00 0.00 177.57 177.03 1bw4 h PHE 99 N -1.04 -1.02 -0.92 1.57 3.04 -0.66 0.30 116.94 118.20 1bw4 h PHE 99 Ca -0.06 0.02 0.25 0.00 3.98 0.00 0.00 57.97 62.16 1bw4 h PHE 99 Cb 0.56 0.43 -0.05 0.00 2.56 0.00 0.00 35.95 39.45 1bw4 h PHE 99 CO 0.02 -0.48 0.65 1.79 -2.02 0.00 0.00 178.31 178.27 1bw4 h THR 100 N -0.60 0.57 0.09 4.41 1.35 -1.57 -0.26 112.91 116.90 1bw4 h THR 100 Ca 0.03 -0.04 -0.37 0.00 -0.55 0.00 0.00 66.41 65.47 1bw4 h THR 100 Cb 0.63 0.43 -0.03 0.00 -1.73 0.00 0.00 68.15 67.45 1bw4 h THR 100 CO -0.21 0.02 -2.11 0.29 -0.25 0.00 0.00 175.52 173.26 1bw4 n LYS 101 N -4.35 0.73 0.05 4.72 5.02 -0.89 -4.61 118.16 118.83 1bw4 n LYS 101 Ca 0.20 0.24 -0.01 0.00 -2.02 0.00 0.00 58.31 56.71 1bw4 n LYS 101 Cb 0.91 -1.66 -0.07 0.00 -0.02 0.00 0.00 35.03 34.18 1bw4 n LYS 101 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1bw4 h ILE 102 N 0.04 0.72 -3.58 -0.18 -0.00 0.05 -3.44 117.51 111.12 1bw4 h ILE 102 Ca -0.46 -2.25 -0.61 0.00 -0.00 0.00 0.00 64.86 61.54 1bw4 h ILE 102 Cb 1.99 2.23 -0.11 0.00 -0.00 0.00 0.00 36.82 40.93 1bw4 h ILE 102 CO 0.04 0.41 0.47 -0.62 -0.00 0.00 0.00 178.15 178.45 1bw4 s ASP 103 N -6.04 6.53 0.00 2.16 -1.08 -0.15 -4.81 116.67 113.29 1bw4 s ASP 103 Ca -0.01 0.24 0.27 0.00 -0.52 0.00 0.00 52.55 52.53 1bw4 s ASP 103 Cb 0.08 -2.42 0.97 0.00 -1.46 0.00 0.00 42.92 40.09 1bw4 s ASP 103 CO 0.80 -0.88 1.69 0.35 0.52 0.00 0.00 175.17 177.65 1bw4 n THR 104 N 6.07 0.00 -0.05 1.71 -2.24 -1.26 -4.29 114.28 114.22 1bw4 n THR 104 Ca 0.04 -0.17 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 1bw4 n THR 104 Cb 0.48 0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 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 -0.35 3.13 0.00 3.42 6.94 -1.26 -5.04 115.26 122.10 1bw4 n ASN 105 Ca 0.16 -0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.67 1bw4 n ASN 105 Cb 0.34 0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 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 2.89 2.53 0.07 4.83 0.00 -1.26 -4.86 105.19 109.39 1bw4 n GLY 106 Ca -0.18 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.09 -0.33 -0.61 2.08 -1.26 -0.16 119.36 118.99 1bw4 n ILE 107 Ca 0.00 0.47 -0.04 0.00 0.56 0.00 0.00 62.75 63.74 1bw4 n ILE 107 Cb 0.00 -0.66 0.01 0.00 -0.75 0.00 0.00 39.64 38.24 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 -0.10 -0.58 7.39 0.00 -1.89 0.38 103.07 108.28 1bw4 h GLY 108 Ca 0.11 0.53 0.33 0.00 0.00 0.00 0.00 47.33 48.30 1bw4 h GLY 108 CO -0.21 -0.18 0.55 -1.82 0.00 0.00 0.00 176.54 174.89 1bw4 h TYR 109 N -0.06 0.90 0.08 5.60 3.20 -0.85 0.22 116.97 126.05 1bw4 h TYR 109 Ca 0.29 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 62.04 1bw4 h TYR 109 Cb 0.57 -0.23 0.02 0.00 1.54 0.00 0.00 36.73 38.62 1bw4 h TYR 109 CO -0.82 -0.21 -0.67 1.96 -1.64 0.00 0.00 178.16 176.77 1bw4 h GLN 110 N 0.28 0.32 -0.83 1.82 4.20 -0.50 -3.23 115.11 117.17 1bw4 h GLN 110 Ca 0.74 -0.45 0.14 0.00 0.06 0.00 0.00 58.65 59.14 1bw4 h GLN 110 Cb 1.72 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 29.59 1bw4 h GLN 110 CO -0.63 1.16 0.54 0.37 -0.67 0.00 0.00 178.83 179.61 1bw4 h GLN 111 N -0.30 0.60 0.00 1.46 5.75 0.14 -3.46 115.11 119.30 1bw4 h GLN 111 Ca -0.11 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1bw4 h GLN 111 Cb 1.46 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.88 1bw4 h GLN 111 CO 0.13 0.40 0.00 0.41 -2.65 0.00 0.00 178.83 177.11 1bw4 n GLY 112 N -1.46 2.49 3.48 2.39 0.00 0.44 -5.09 105.19 107.44 1bw4 n GLY 112 Ca 0.16 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.27 -0.05 0.19 1.61 -3.43 -1.22 -4.60 115.29 107.52 1bw4 s HIS 113 Ca 0.00 -0.29 0.11 0.00 -0.80 0.00 0.00 55.06 54.08 1bw4 s HIS 113 Cb 0.00 0.32 -0.04 0.00 -1.43 0.00 0.00 32.58 31.42 1bw4 s HIS 113 CO 0.00 -0.87 -0.23 -1.17 -2.00 0.00 0.00 174.74 170.47 1bw4 s LEU 114 N -2.88 2.44 -0.44 5.38 2.96 0.06 -4.74 118.68 121.45 1bw4 s LEU 114 Ca 0.10 -0.87 -0.11 0.00 -0.22 0.00 0.00 54.13 53.02 1bw4 s LEU 114 Cb -0.00 -1.11 0.08 0.00 0.50 0.00 0.00 46.19 45.66 1bw4 s LEU 114 CO -0.03 0.09 0.31 0.21 -1.32 0.00 0.00 176.35 175.61 1bw4 s ASN 115 N -2.70 5.81 0.43 3.68 3.04 -1.26 -0.38 114.94 123.56 1bw4 s ASN 115 Ca 0.20 -1.50 0.04 0.00 0.04 0.00 0.00 52.86 51.64 1bw4 s ASN 115 Cb -0.07 -2.05 -0.02 0.00 -1.54 0.00 0.00 41.25 37.57 1bw4 s ASN 115 CO 0.09 -0.59 0.16 1.33 -3.04 0.00 0.00 177.10 175.05 1bw4 n VAL 116 N 5.01 0.00 -5.24 -5.21 0.24 -0.94 -4.72 118.33 107.47 1bw4 n VAL 116 Ca -0.11 -2.50 -0.31 0.00 -2.04 0.00 0.00 64.34 59.39 1bw4 n VAL 116 Cb 0.43 0.91 -0.16 0.00 -1.47 0.00 0.00 33.84 33.54 1bw4 n VAL 116 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1bw4 s ASN 117 N -3.63 2.96 -0.02 -1.34 0.01 -0.88 -2.26 114.94 109.78 1bw4 s ASN 117 Ca 0.22 -0.48 0.01 0.00 -0.71 0.00 0.00 52.86 51.90 1bw4 s ASN 117 Cb 0.01 -0.59 0.02 0.00 0.41 0.00 0.00 41.25 41.10 1bw4 s ASN 117 CO 0.16 0.27 -0.02 -0.72 -1.51 0.00 0.00 177.10 175.28 1bw4 s TYR 118 N -0.35 0.38 -0.02 2.20 -0.85 -0.23 -2.54 117.35 115.94 1bw4 s TYR 118 Ca 0.03 -0.05 0.02 0.00 -0.52 0.00 0.00 57.07 56.55 1bw4 s TYR 118 Cb -0.12 -0.38 0.00 0.00 0.38 0.00 0.00 41.96 41.84 1bw4 s TYR 118 CO 0.01 -0.10 -0.08 -0.65 -1.52 0.00 0.00 175.55 173.22 1bw4 s GLN 119 N 0.65 0.79 0.54 -3.49 -1.52 -1.00 -1.08 119.66 114.56 1bw4 s GLN 119 Ca -0.07 -0.28 -0.21 0.00 -1.95 0.00 0.00 55.36 52.86 1bw4 s GLN 119 Cb -0.10 -0.76 -0.05 0.00 -0.22 0.00 0.00 33.01 31.88 1bw4 s GLN 119 CO -0.01 0.13 1.22 -0.06 -0.25 0.00 0.00 175.29 176.32 1bw4 s PHE 120 N 0.06 2.51 -0.16 0.91 0.40 -0.21 -1.20 117.98 120.29 1bw4 s PHE 120 Ca -0.01 1.49 -0.20 0.00 -0.60 0.00 0.00 56.93 57.62 1bw4 s PHE 120 Cb -0.06 -3.51 0.05 0.00 0.51 0.00 0.00 43.02 40.00 1bw4 s PHE 120 CO 0.00 -2.14 0.53 0.08 0.70 0.00 0.00 175.22 174.39 1bw4 s VAL 121 N -1.53 0.01 -0.02 -0.44 1.01 0.05 -4.68 120.40 114.80 1bw4 s VAL 121 Ca 0.72 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.46 1bw4 s VAL 121 Cb -0.32 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 1bw4 s VAL 121 CO 0.36 -0.03 0.54 -0.62 0.00 0.00 0.00 175.10 175.35 1bw4 s ASP 122 N -0.09 6.90 0.20 3.32 -1.08 -1.26 -0.32 116.67 124.33 1bw4 s ASP 122 Ca -0.03 1.07 0.22 0.00 -0.52 0.00 0.00 52.55 53.29 1bw4 s ASP 122 Cb -0.03 -2.33 -0.01 0.00 -1.46 0.00 0.00 42.92 39.09 1bw4 s ASP 122 CO 0.02 0.14 1.04 0.00 0.52 0.00 0.00 175.17 176.89 1bw4 n ARG 124 N -2.72 -1.59 0.00 0.00 1.74 -1.26 -5.12 116.66 107.71 1bw4 n ARG 124 Ca -0.01 0.12 0.05 0.00 -0.77 0.00 0.00 57.85 57.24 1bw4 n ARG 124 Cb 0.58 -4.68 0.28 0.00 -1.02 0.00 0.00 32.46 27.62 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64