#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw3 s GLN 2 N 0.00 0.18 -0.00 3.44 -0.44 -1.26 -0.11 119.66 121.47 1bw3 s GLN 2 Ca 0.00 -0.18 0.01 0.00 -2.50 0.00 0.00 55.36 52.70 1bw3 s GLN 2 Cb 0.00 -1.85 -0.00 0.00 -1.64 0.00 0.00 33.01 29.52 1bw3 s GLN 2 CO 0.00 -0.69 -0.05 0.00 0.50 0.00 0.00 175.29 175.06 1bw3 s ALA 3 N 2.08 0.40 0.39 1.58 0.00 -0.51 -4.91 121.76 120.78 1bw3 s ALA 3 Ca 0.02 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.78 1bw3 s ALA 3 Cb -0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1bw3 s ALA 3 CO -0.10 0.09 0.09 -0.80 0.00 0.00 0.00 175.76 175.04 1bw3 s ASN 4 N -0.18 2.75 -1.41 0.00 0.01 -1.26 -0.53 114.94 114.31 1bw3 s ASN 4 Ca 0.01 -1.56 -0.14 0.00 -0.71 0.00 0.00 52.86 50.47 1bw3 s ASN 4 Cb -0.02 0.28 0.02 0.00 0.41 0.00 0.00 41.25 41.94 1bw3 s ASN 4 CO -0.00 -0.80 0.28 0.47 -1.51 0.00 0.00 177.10 175.54 1bw3 n ASP 5 N -1.07 -1.08 -4.88 -1.22 8.00 -1.15 -4.91 116.55 110.24 1bw3 n ASP 5 Ca -0.06 -1.28 -0.34 0.00 0.71 0.00 0.00 54.79 53.82 1bw3 n ASP 5 Cb 0.66 -1.69 -0.05 0.00 -0.02 0.00 0.00 41.12 40.02 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bw3 s VAL 6 N -4.04 5.24 -0.60 2.53 1.01 -0.34 -4.92 120.40 119.27 1bw3 s VAL 6 Ca 0.19 0.23 -0.22 0.00 0.00 0.00 0.00 61.98 62.18 1bw3 s VAL 6 Cb -0.11 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.74 1bw3 s VAL 6 CO 0.99 0.32 0.89 -0.60 0.00 0.00 0.00 175.10 176.69 1bw3 s ARG 7 N -1.87 3.17 -0.08 2.72 3.52 -1.26 -2.54 118.95 122.61 1bw3 s ARG 7 Ca 0.30 -0.72 -0.11 0.00 -0.13 0.00 0.00 55.73 55.07 1bw3 s ARG 7 Cb -0.13 -4.16 -0.05 0.00 -1.56 0.00 0.00 34.95 29.05 1bw3 s ARG 7 CO 0.17 -1.62 0.26 0.00 -0.81 0.00 0.00 175.30 173.30 1bw3 s ALA 8 N 3.72 3.78 -0.01 6.12 0.00 -0.48 -4.93 121.76 129.95 1bw3 s ALA 8 Ca 0.23 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1bw3 s ALA 8 Cb -0.17 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.79 1bw3 s ALA 8 CO 0.13 0.50 0.01 0.95 0.00 0.00 0.00 175.76 177.34 1bw3 s THR 9 N -0.85 0.04 0.79 0.00 -4.23 -1.26 -0.22 115.64 109.90 1bw3 s THR 9 Ca 0.18 0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 60.71 1bw3 s THR 9 Cb -0.14 -0.10 0.15 0.00 1.34 0.00 0.00 72.50 73.75 1bw3 s THR 9 CO 0.07 0.06 1.09 -0.72 -0.54 0.00 0.00 174.62 174.58 1bw3 s TYR 10 N 0.52 1.58 0.04 3.99 -0.85 -1.26 -4.60 117.35 116.78 1bw3 s TYR 10 Ca -0.05 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 1bw3 s TYR 10 Cb -0.07 -3.31 -0.00 0.00 0.38 0.00 0.00 41.96 38.96 1bw3 s TYR 10 CO -0.01 -1.98 0.05 -2.39 -1.52 0.00 0.00 175.55 169.69 1bw3 n HIS 11 N -3.10 -0.35 -3.91 -3.49 1.44 -1.26 -5.04 115.22 99.50 1bw3 n HIS 11 Ca 0.15 -0.34 -0.30 0.00 -2.01 0.00 0.00 57.72 55.22 1bw3 n HIS 11 Cb 0.60 0.06 -0.15 0.00 0.12 0.00 0.00 29.99 30.62 1bw3 n HIS 11 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1bw3 s TYR 12 N -3.54 2.49 -0.18 -1.40 2.02 -1.26 -4.88 117.35 110.60 1bw3 s TYR 12 Ca 0.04 -1.96 -0.08 0.00 -0.37 0.00 0.00 57.07 54.71 1bw3 s TYR 12 Cb 0.00 -1.84 -0.08 0.00 -0.40 0.00 0.00 41.96 39.65 1bw3 s TYR 12 CO 0.03 -0.82 -0.22 0.98 -1.57 0.00 0.00 175.55 173.95 1bw3 n TYR 13 N 4.64 0.00 0.04 2.71 4.19 -1.26 -5.05 117.16 122.42 1bw3 n TYR 13 Ca -0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.14 1bw3 n TYR 13 Cb 0.43 -0.63 0.00 0.00 0.49 0.00 0.00 39.34 39.63 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1bw3 n ARG 14 N -3.70 0.00 -0.01 2.98 1.74 -1.26 -5.05 116.66 111.36 1bw3 n ARG 14 Ca -0.34 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.73 1bw3 n ARG 14 Cb 0.75 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.19 1bw3 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1bw3 n PRO 15 N -3.03 0.05 0.19 5.56 -0.04 -1.26 -4.65 135.00 131.81 1bw3 n PRO 15 Ca 0.00 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.65 1bw3 n PRO 15 Cb 0.00 -0.62 0.66 0.00 -0.04 0.00 0.00 33.50 33.51 1bw3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 h ALA 16 N -1.91 1.00 -0.59 0.55 0.00 -1.95 -3.35 119.26 113.02 1bw3 h ALA 16 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1bw3 h ALA 16 Cb 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1bw3 h ALA 16 CO 0.00 0.00 -0.34 0.94 0.00 0.00 0.00 179.25 179.85 1bw3 n GLN 17 N -2.43 -0.25 -1.37 0.00 0.00 -1.26 0.20 117.38 112.27 1bw3 n GLN 17 Ca -0.01 0.89 -0.23 0.00 -0.00 0.00 0.00 57.00 57.65 1bw3 n GLN 17 Cb 0.11 -1.31 -0.08 0.00 0.00 0.00 0.00 30.24 28.96 1bw3 n GLN 17 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1bw3 n ASN 18 N -4.75 6.22 -4.32 1.69 4.05 -1.26 -4.63 115.26 112.27 1bw3 n ASN 18 Ca 0.02 -3.05 -0.34 0.00 0.45 0.00 0.00 54.58 51.65 1bw3 n ASN 18 Cb 0.16 -1.26 -0.08 0.00 1.23 0.00 0.00 39.78 39.83 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bw3 n ASN 19 N 1.18 -0.33 0.00 1.20 2.85 0.52 0.36 115.26 121.04 1bw3 n ASN 19 Ca 0.47 -1.21 0.00 0.00 -0.11 0.00 0.00 54.58 53.73 1bw3 n ASN 19 Cb 0.62 -1.91 0.00 0.00 1.24 0.00 0.00 39.78 39.74 1bw3 n ASN 19 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1bw3 n TRP 20 N -4.41 0.00 0.00 1.20 7.02 0.19 -4.71 117.44 116.73 1bw3 n TRP 20 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 1bw3 n TRP 20 Cb 0.61 -1.04 0.00 0.00 -2.42 0.00 0.00 31.31 28.46 1bw3 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw3 n ASP 21 N 0.00 0.00 0.17 -0.99 2.03 0.16 -4.66 116.55 113.26 1bw3 n ASP 21 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1bw3 n ASP 21 Cb 0.00 0.00 0.38 0.00 -0.72 0.00 0.00 41.12 40.78 1bw3 n ASP 21 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bw3 n LEU 22 N 0.00 0.36 -1.14 -2.67 4.77 -1.26 0.19 117.00 117.25 1bw3 n LEU 22 Ca 0.00 0.57 0.08 0.00 -0.03 0.00 0.00 56.01 56.64 1bw3 n LEU 22 Cb 0.00 -0.52 0.27 0.00 -2.33 0.00 0.00 43.42 40.84 1bw3 n LEU 22 CO 0.00 -0.70 0.73 0.61 -1.33 0.00 0.00 177.39 176.71 1bw3 n GLY 23 N -1.27 2.93 3.76 -0.72 0.00 -1.26 -0.04 105.19 108.58 1bw3 n GLY 23 Ca -0.01 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 1bw3 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 24 N -1.60 2.84 0.09 4.61 0.00 0.13 -4.52 121.76 123.31 1bw3 s ALA 24 Ca 0.41 1.21 -0.18 0.00 0.00 0.00 0.00 51.96 53.40 1bw3 s ALA 24 Cb 0.25 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1bw3 s ALA 24 CO 0.21 -1.18 0.97 -2.30 0.00 0.00 0.00 175.76 173.46 1bw3 n PRO 25 N -0.92 -0.25 -0.71 0.00 -0.01 -1.26 0.08 135.00 131.93 1bw3 n PRO 25 Ca 0.10 0.95 -0.14 0.00 -0.01 0.00 0.00 63.50 64.40 1bw3 n PRO 25 Cb 0.46 -1.40 0.07 0.00 -0.01 0.00 0.00 33.50 32.62 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw3 n ALA 26 N -3.39 4.42 0.09 3.55 0.00 -1.26 -4.38 120.51 119.53 1bw3 n ALA 26 Ca 0.01 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.92 1bw3 n ALA 26 Cb 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1bw3 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw3 n VAL 27 N -0.11 0.56 -2.83 0.00 0.31 0.11 -5.08 118.33 111.29 1bw3 n VAL 27 Ca 0.30 0.18 -0.17 0.00 -0.01 0.00 0.00 64.34 64.65 1bw3 n VAL 27 Cb 0.92 -0.99 0.01 0.00 -0.91 0.00 0.00 33.84 32.87 1bw3 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw3 n SER 28 N -3.40 -2.72 -4.88 4.52 3.41 -1.03 -4.95 113.62 104.58 1bw3 n SER 28 Ca 0.00 -0.34 -0.27 0.00 -0.26 0.00 0.00 58.87 58.00 1bw3 n SER 28 Cb 0.00 -0.85 0.08 0.00 -0.26 0.00 0.00 64.21 63.18 1bw3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw3 s ALA 29 N -1.76 2.97 0.08 7.33 0.00 0.95 -4.99 121.76 126.35 1bw3 s ALA 29 Ca 0.09 -0.87 -0.35 0.00 0.00 0.00 0.00 51.96 50.83 1bw3 s ALA 29 Cb -0.01 -2.71 -0.17 0.00 0.00 0.00 0.00 23.12 20.24 1bw3 s ALA 29 CO 0.48 -1.47 1.58 1.88 0.00 0.00 0.00 175.76 178.22 1bw3 h TYR 30 N -0.78 -1.28 0.00 0.00 0.05 -1.89 -3.20 116.97 109.87 1bw3 h TYR 30 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1bw3 h TYR 30 Cb 1.32 0.49 0.00 0.00 1.01 0.00 0.00 36.73 39.55 1bw3 h TYR 30 CO 0.26 -0.65 -0.38 0.00 -1.05 0.00 0.00 178.16 176.34 1bw3 h ALA 32 N 2.84 1.67 -0.00 0.00 0.00 -1.84 0.58 119.26 122.51 1bw3 h ALA 32 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1bw3 h ALA 32 Cb 0.58 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1bw3 h ALA 32 CO 0.00 -0.76 -0.01 2.41 0.00 0.00 0.00 179.25 180.89 1bw3 n THR 33 N -5.37 0.00 0.00 0.00 -1.04 -1.26 -4.10 114.28 102.51 1bw3 n THR 33 Ca 0.31 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1bw3 n THR 33 Cb 1.02 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1bw3 n THR 33 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1bw3 n TRP 34 N -1.13 0.00 -0.03 -1.42 8.01 0.11 -5.00 117.44 117.98 1bw3 n TRP 34 Ca 0.17 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.34 1bw3 n TRP 34 Cb 0.21 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.50 1bw3 n TRP 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bw3 n ASP 35 N -1.35 0.72 0.00 -0.99 9.92 0.16 -4.87 116.55 120.14 1bw3 n ASP 35 Ca 0.00 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 1bw3 n ASP 35 Cb 0.28 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 1bw3 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw3 n ALA 36 N -2.92 0.00 -0.08 2.24 0.00 -1.26 -4.04 120.51 114.46 1bw3 n ALA 36 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1bw3 n ALA 36 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1bw3 n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bw3 n SER 37 N 0.00 1.82 -4.60 0.00 3.41 -1.26 -4.96 113.62 108.04 1bw3 n SER 37 Ca 0.00 0.59 -0.51 0.00 -0.26 0.00 0.00 58.87 58.69 1bw3 n SER 37 Cb 0.00 -0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 63.00 1bw3 n SER 37 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bw3 n LYS 38 N -4.57 1.26 -0.57 4.33 4.01 -1.26 -4.92 118.16 116.45 1bw3 n LYS 38 Ca -0.13 0.45 -0.30 0.00 -0.51 0.00 0.00 58.31 57.82 1bw3 n LYS 38 Cb 0.36 -2.08 0.22 0.00 -0.51 0.00 0.00 35.03 33.02 1bw3 n LYS 38 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1bw3 n PRO 39 N 2.44 -1.82 0.07 1.97 -0.04 -1.26 -4.69 135.00 131.67 1bw3 n PRO 39 Ca 0.17 -0.50 -0.16 0.00 -0.04 0.00 0.00 63.50 62.98 1bw3 n PRO 39 Cb 0.21 -2.08 -0.09 0.00 -0.04 0.00 0.00 33.50 31.50 1bw3 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw3 h LEU 40 N -2.36 -1.60 0.00 1.53 3.38 -1.96 -2.64 115.31 111.66 1bw3 h LEU 40 Ca -0.56 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1bw3 h LEU 40 Cb 1.33 0.60 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1bw3 h LEU 40 CO 0.44 -0.53 0.00 -0.24 0.09 0.00 0.00 178.44 178.21 1bw3 n SER 41 N -5.47 0.00 -0.08 -0.43 2.88 -1.26 -0.26 113.62 109.00 1bw3 n SER 41 Ca -0.07 0.68 -0.09 0.00 -1.33 0.00 0.00 58.87 58.05 1bw3 n SER 41 Cb 0.40 -0.30 -0.03 0.00 -0.75 0.00 0.00 64.21 63.52 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1bw3 h TRP 42 N 0.00 -1.04 -0.82 0.66 7.01 -1.92 0.95 115.95 120.79 1bw3 h TRP 42 Ca 0.00 0.06 0.20 0.00 2.11 0.00 0.00 58.89 61.25 1bw3 h TRP 42 Cb 0.00 0.50 -0.13 0.00 -2.10 0.00 0.00 29.16 27.43 1bw3 h TRP 42 CO -0.57 -0.42 0.21 -0.09 -2.79 0.00 0.00 178.44 174.79 1bw3 h ARG 43 N -0.33 0.24 0.00 2.65 9.65 -0.78 -0.18 114.38 125.63 1bw3 h ARG 43 Ca 0.14 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.93 1bw3 h ARG 43 Cb 0.57 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1bw3 h ARG 43 CO -0.50 0.16 -0.91 0.66 2.80 0.00 0.00 179.97 182.18 1bw3 h SER 44 N 0.24 0.00 -0.13 -3.80 4.64 0.34 -3.36 113.55 111.49 1bw3 h SER 44 Ca 0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.78 1bw3 h SER 44 Cb 0.91 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1bw3 h SER 44 CO -0.59 0.26 -0.04 0.50 -0.87 0.00 0.00 176.83 176.09 1bw3 h LYS 45 N 0.00 0.25 -4.59 4.77 3.64 0.22 -3.40 116.57 117.46 1bw3 h LYS 45 Ca -0.05 -0.10 -0.70 0.00 -1.27 0.00 0.00 60.65 58.53 1bw3 h LYS 45 Cb 1.25 -0.01 -0.30 0.00 -0.41 0.00 0.00 32.23 32.75 1bw3 h LYS 45 CO 0.03 0.57 -0.57 0.71 -2.27 0.00 0.00 179.45 177.91 1bw3 s TYR 46 N -4.66 3.35 0.81 1.91 1.51 -0.20 -4.92 117.35 115.14 1bw3 s TYR 46 Ca -0.14 -1.73 -0.14 0.00 -1.01 0.00 0.00 57.07 54.04 1bw3 s TYR 46 Cb 0.05 -2.64 -0.13 0.00 -0.11 0.00 0.00 41.96 39.14 1bw3 s TYR 46 CO 0.72 -0.83 -0.64 0.41 -1.11 0.00 0.00 175.55 174.11 1bw3 n GLY 47 N 4.76 -3.84 2.62 0.71 0.00 -1.02 -4.58 105.19 103.84 1bw3 n GLY 47 Ca -0.10 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 1bw3 n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1bw3 n TRP 48 N -2.04 -2.73 -1.52 1.61 4.27 -1.26 0.18 117.44 115.95 1bw3 n TRP 48 Ca -0.01 -2.11 0.00 0.00 -3.89 0.00 0.00 57.50 51.49 1bw3 n TRP 48 Cb 0.47 1.05 0.00 0.00 -1.36 0.00 0.00 31.31 31.46 1bw3 n TRP 48 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 1bw3 n THR 49 N 2.37 0.00 -3.15 -1.67 -2.24 0.16 -4.63 114.28 105.11 1bw3 n THR 49 Ca 0.18 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.77 1bw3 n THR 49 Cb 0.56 -1.40 0.03 0.00 -2.10 0.00 0.00 70.33 67.42 1bw3 n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bw3 s ALA 50 N -2.80 4.56 -0.58 6.98 0.00 -1.26 -0.26 121.76 128.41 1bw3 s ALA 50 Ca 0.00 -1.88 -0.20 0.00 0.00 0.00 0.00 51.96 49.89 1bw3 s ALA 50 Cb 0.00 -1.41 0.09 0.00 0.00 0.00 0.00 23.12 21.79 1bw3 s ALA 50 CO 0.00 -0.56 0.72 -0.59 0.00 0.00 0.00 175.76 175.34 1bw3 s PHE 51 N -2.54 2.96 0.18 0.00 -0.12 0.02 -4.82 117.98 113.66 1bw3 s PHE 51 Ca 0.56 -0.77 -0.03 0.00 -0.05 0.00 0.00 56.93 56.64 1bw3 s PHE 51 Cb -0.07 -3.93 0.01 0.00 -0.63 0.00 0.00 43.02 38.41 1bw3 s PHE 51 CO 0.34 -1.27 0.30 0.00 -0.05 0.00 0.00 175.22 174.54 1bw3 n GLY 53 N -0.28 1.25 0.26 0.00 0.00 -1.26 -4.72 105.19 100.44 1bw3 n GLY 53 Ca -0.02 -2.24 0.04 0.00 0.00 0.00 0.00 46.02 43.80 1bw3 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bw3 h PRO 54 N 0.00 0.26 -3.91 1.61 0.13 -2.00 -3.44 132.00 124.64 1bw3 h PRO 54 Ca 0.00 -0.03 -0.34 0.00 -0.87 0.00 0.00 66.00 64.75 1bw3 h PRO 54 Cb 0.00 -0.05 -0.32 0.00 0.13 0.00 0.00 31.00 30.76 1bw3 h PRO 54 CO 0.00 0.27 -0.75 0.00 -0.23 0.00 0.00 178.00 177.29 1bw3 s ALA 55 N -5.02 0.38 0.00 -0.56 0.00 -1.26 -5.03 121.76 110.26 1bw3 s ALA 55 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1bw3 s ALA 55 Cb 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1bw3 s ALA 55 CO 0.72 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.88 1bw3 n GLY 56 N 3.74 -0.16 3.50 0.00 0.00 -1.26 -3.42 105.19 107.60 1bw3 n GLY 56 Ca -0.22 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1bw3 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw3 s PRO 57 N 0.00 3.15 -0.41 1.61 0.04 -1.26 -4.63 135.00 133.50 1bw3 s PRO 57 Ca 0.00 -0.54 0.06 0.00 0.04 0.00 0.00 61.00 60.56 1bw3 s PRO 57 Cb 0.00 -4.21 0.17 0.00 0.04 0.00 0.00 34.50 30.50 1bw3 s PRO 57 CO 0.00 -1.98 0.53 0.50 0.04 0.00 0.00 177.00 176.09 1bw3 s ARG 58 N 4.89 0.79 0.00 4.56 6.06 -1.26 -5.04 118.95 128.95 1bw3 s ARG 58 Ca 0.28 -0.68 0.00 0.00 -2.50 0.00 0.00 55.73 52.84 1bw3 s ARG 58 Cb -0.12 -0.31 0.00 0.00 0.06 0.00 0.00 34.95 34.58 1bw3 s ARG 58 CO 0.12 -1.22 0.00 0.41 -2.50 0.00 0.00 175.30 172.12 1bw3 n GLY 59 N 4.10 -0.21 0.00 8.12 0.00 -1.26 -4.64 105.19 111.29 1bw3 n GLY 59 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1bw3 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw3 n GLN 60 N -1.68 0.00 -1.91 1.61 6.02 -1.26 -2.49 117.38 117.67 1bw3 n GLN 60 Ca 0.00 0.11 -0.38 0.00 -0.01 0.00 0.00 57.00 56.72 1bw3 n GLN 60 Cb 0.00 -0.51 -0.01 0.00 1.02 0.00 0.00 30.24 30.74 1bw3 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw3 n ALA 61 N -1.98 6.78 -0.03 -1.58 0.00 -1.26 -4.29 120.51 118.15 1bw3 n ALA 61 Ca 0.00 -3.92 0.01 0.00 0.00 0.00 0.00 53.44 49.53 1bw3 n ALA 61 Cb 0.00 -2.70 -0.10 0.00 0.00 0.00 0.00 19.45 16.65 1bw3 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n ALA 62 N 1.65 2.14 -0.56 0.00 0.00 -1.04 -4.73 120.51 117.98 1bw3 n ALA 62 Ca 0.61 -0.52 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 1bw3 n ALA 62 Cb 0.29 -0.25 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 1bw3 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n GLY 64 N 2.94 0.60 3.70 0.00 0.00 -1.26 -5.06 105.19 106.12 1bw3 n GLY 64 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 1bw3 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw3 s LYS 65 N 0.00 2.33 0.30 1.61 -0.14 -0.64 -4.81 119.74 118.39 1bw3 s LYS 65 Ca 0.00 -1.53 0.10 0.00 -1.36 0.00 0.00 55.97 53.18 1bw3 s LYS 65 Cb 0.00 -2.15 -0.06 0.00 -1.68 0.00 0.00 37.83 33.94 1bw3 s LYS 65 CO 0.00 0.18 -0.13 0.00 -0.76 0.00 0.00 175.35 174.64 1bw3 s LEU 67 N -3.52 2.61 -0.23 0.00 1.43 0.91 -0.38 118.68 119.50 1bw3 s LEU 67 Ca 0.30 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 1bw3 s LEU 67 Cb -0.00 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1bw3 s LEU 67 CO 0.14 -0.02 0.67 -0.60 0.23 0.00 0.00 176.35 176.77 1bw3 s ARG 68 N 1.40 4.16 -0.16 1.70 3.52 0.48 0.03 118.95 130.08 1bw3 s ARG 68 Ca 0.05 0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 56.30 1bw3 s ARG 68 Cb -0.14 -3.62 -0.01 0.00 -1.56 0.00 0.00 34.95 29.62 1bw3 s ARG 68 CO -0.07 -0.37 -0.13 0.08 -0.81 0.00 0.00 175.30 174.01 1bw3 s VAL 69 N 2.34 2.92 0.10 7.11 1.01 -0.74 -1.43 120.40 131.70 1bw3 s VAL 69 Ca 0.29 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.67 1bw3 s VAL 69 Cb -0.16 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1bw3 s VAL 69 CO 0.09 0.50 -0.22 -0.89 0.00 0.00 0.00 175.10 174.58 1bw3 s THR 70 N 0.75 1.83 -0.36 3.92 2.01 -0.71 -1.03 115.64 122.04 1bw3 s THR 70 Ca -0.05 -1.52 -0.05 0.00 0.31 0.00 0.00 61.69 60.37 1bw3 s THR 70 Cb -0.15 -1.64 0.07 0.00 0.01 0.00 0.00 72.50 70.79 1bw3 s THR 70 CO 0.01 0.03 0.13 0.21 -0.69 0.00 0.00 174.62 174.31 1bw3 s ASN 71 N -1.79 5.25 0.65 3.53 2.47 0.50 -1.23 114.94 124.31 1bw3 s ASN 71 Ca 0.08 -1.48 0.31 0.00 0.42 0.00 0.00 52.86 52.20 1bw3 s ASN 71 Cb -0.10 -1.84 1.68 0.00 -1.45 0.00 0.00 41.25 39.54 1bw3 s ASN 71 CO 0.04 -0.41 1.97 -0.65 -3.72 0.00 0.00 177.10 174.34 1bw3 h PRO 72 N 8.15 0.00 0.07 0.43 0.10 -1.88 0.23 132.00 139.10 1bw3 h PRO 72 Ca -0.20 0.00 -0.25 0.00 0.10 0.00 0.00 66.00 65.65 1bw3 h PRO 72 Cb 1.07 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.15 1bw3 h PRO 72 CO 0.64 0.00 -1.30 0.00 0.10 0.00 0.00 178.00 177.44 1bw3 h ALA 73 N 1.46 0.21 -0.02 -0.75 0.00 -1.94 -3.39 119.26 114.83 1bw3 h ALA 73 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1bw3 h ALA 73 Cb 0.68 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1bw3 h ALA 73 CO -0.00 0.77 -0.10 0.25 0.00 0.00 0.00 179.25 180.16 1bw3 n THR 74 N -4.09 0.00 -0.79 0.00 -2.24 -0.90 -4.93 114.28 101.34 1bw3 n THR 74 Ca -0.26 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1bw3 n THR 74 Cb 0.81 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 70.44 1bw3 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw3 n GLY 75 N 1.23 0.09 3.83 3.38 0.00 0.75 -4.92 105.19 109.55 1bw3 n GLY 75 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1bw3 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 76 N -1.25 3.04 -0.02 4.61 0.00 -1.25 -4.78 121.76 122.11 1bw3 s ALA 76 Ca 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 1bw3 s ALA 76 Cb 0.00 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.99 1bw3 s ALA 76 CO 0.00 -0.16 0.16 -1.14 0.00 0.00 0.00 175.76 174.62 1bw3 s GLN 77 N -3.80 0.39 0.09 0.00 -0.44 -1.26 -0.37 119.66 114.27 1bw3 s GLN 77 Ca 0.60 -0.15 0.01 0.00 -2.50 0.00 0.00 55.36 53.32 1bw3 s GLN 77 Cb -0.10 0.17 -0.04 0.00 -1.64 0.00 0.00 33.01 31.40 1bw3 s GLN 77 CO 0.26 -0.09 -0.03 -1.50 0.50 0.00 0.00 175.29 174.43 1bw3 s ILE 78 N -0.84 0.47 -0.26 -2.34 1.10 -0.20 -5.01 121.20 114.12 1bw3 s ILE 78 Ca -0.09 -1.90 -0.07 0.00 -0.51 0.00 0.00 60.65 58.08 1bw3 s ILE 78 Cb -0.05 -1.72 -0.02 0.00 0.15 0.00 0.00 42.46 40.81 1bw3 s ILE 78 CO 0.01 -0.82 0.08 -0.89 -2.11 0.00 0.00 174.94 171.20 1bw3 s THR 79 N -3.78 4.29 0.37 4.00 2.01 -1.26 -1.79 115.64 119.48 1bw3 s THR 79 Ca 0.13 -0.23 0.08 0.00 0.31 0.00 0.00 61.69 61.97 1bw3 s THR 79 Cb 0.07 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1bw3 s THR 79 CO -0.05 0.30 0.35 0.00 -0.69 0.00 0.00 174.62 174.53 1bw3 s ALA 80 N 1.61 3.98 -0.04 7.40 0.00 0.10 -2.43 121.76 132.38 1bw3 s ALA 80 Ca 0.06 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.32 1bw3 s ALA 80 Cb -0.15 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 1bw3 s ALA 80 CO 0.04 -0.09 -0.09 0.50 0.00 0.00 0.00 175.76 176.12 1bw3 s ARG 81 N -4.07 2.62 -0.49 0.00 3.52 0.48 -0.06 118.95 120.94 1bw3 s ARG 81 Ca 0.44 -0.64 -0.22 0.00 -0.13 0.00 0.00 55.73 55.18 1bw3 s ARG 81 Cb -0.05 -2.51 0.04 0.00 -1.56 0.00 0.00 34.95 30.87 1bw3 s ARG 81 CO 0.28 0.63 0.76 0.42 -0.81 0.00 0.00 175.30 176.58 1bw3 s ILE 82 N -0.86 4.67 0.06 4.11 1.01 -0.86 0.37 121.20 129.70 1bw3 s ILE 82 Ca 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.86 1bw3 s ILE 82 Cb -0.11 -4.36 -0.00 0.00 0.01 0.00 0.00 42.46 38.00 1bw3 s ILE 82 CO 0.03 -0.83 -0.02 0.52 0.00 0.00 0.00 174.94 174.64 1bw3 n VAL 83 N 5.96 0.93 -3.11 2.92 0.31 0.64 -3.91 118.33 122.08 1bw3 n VAL 83 Ca -0.01 0.28 -0.11 0.00 -0.01 0.00 0.00 64.34 64.50 1bw3 n VAL 83 Cb 0.47 -1.60 0.03 0.00 -0.91 0.00 0.00 33.84 31.84 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1bw3 n ASP 84 N -3.41 1.21 -4.56 4.52 5.68 -1.17 -4.00 116.55 114.81 1bw3 n ASP 84 Ca -0.01 -1.83 -0.26 0.00 -0.50 0.00 0.00 54.79 52.19 1bw3 n ASP 84 Cb 0.16 -0.20 -0.11 0.00 -1.14 0.00 0.00 41.12 39.83 1bw3 n ASP 84 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1bw3 s GLN 85 N -3.36 1.84 0.40 0.11 0.74 -1.26 -0.80 119.66 117.35 1bw3 s GLN 85 Ca 0.30 -1.99 0.07 0.00 0.05 0.00 0.00 55.36 53.79 1bw3 s GLN 85 Cb -0.02 -1.59 -0.08 0.00 1.10 0.00 0.00 33.01 32.42 1bw3 s GLN 85 CO 0.19 0.04 0.01 0.00 -0.55 0.00 0.00 175.29 174.98 1bw3 n ALA 87 N -0.95 1.41 -0.05 0.00 0.00 -1.26 -4.98 120.51 114.68 1bw3 n ALA 87 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1bw3 n ALA 87 Cb 0.67 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.08 1bw3 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw3 n ASN 88 N -3.20 2.07 -5.02 0.00 0.23 -1.26 -5.07 115.26 103.00 1bw3 n ASN 88 Ca 0.00 0.03 -0.20 0.00 -0.53 0.00 0.00 54.58 53.88 1bw3 n ASN 88 Cb 0.00 -0.22 0.06 0.00 -2.08 0.00 0.00 39.78 37.53 1bw3 n ASN 88 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1bw3 s GLY 89 N -5.06 1.80 0.38 4.83 0.00 -1.26 -5.15 107.32 102.86 1bw3 s GLY 89 Ca -0.14 -2.06 0.05 0.00 0.00 0.00 0.00 44.72 42.58 1bw3 s GLY 89 CO 0.20 -1.72 0.03 -0.32 0.00 0.00 0.00 173.10 171.30 1bw3 s GLY 90 N -4.63 2.35 0.00 0.20 0.00 -1.26 -4.81 107.32 99.17 1bw3 s GLY 90 Ca 0.59 -2.10 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1bw3 s GLY 90 CO 0.37 -1.98 0.00 1.04 0.00 0.00 0.00 173.10 172.53 1bw3 n LEU 91 N -0.86 0.00 -0.11 0.66 4.77 -1.26 -4.85 117.00 115.35 1bw3 n LEU 91 Ca -0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.71 1bw3 n LEU 91 Cb 0.67 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.64 1bw3 n LEU 91 CO 0.45 0.00 -1.19 -0.90 -1.33 0.00 0.00 177.39 174.42 1bw3 n ASP 92 N 0.00 1.99 -1.25 -1.43 5.75 -1.26 -4.43 116.55 115.92 1bw3 n ASP 92 Ca 0.00 0.12 -0.03 0.00 -0.01 0.00 0.00 54.79 54.87 1bw3 n ASP 92 Cb 0.00 -0.67 0.02 0.00 -1.03 0.00 0.00 41.12 39.44 1bw3 n ASP 92 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1bw3 n LEU 93 N -3.72 3.94 -0.07 -2.12 4.32 -1.26 -3.94 117.00 114.14 1bw3 n LEU 93 Ca -0.45 -1.95 -0.05 0.00 -0.02 0.00 0.00 56.01 53.54 1bw3 n LEU 93 Cb 0.94 -0.66 -0.02 0.00 -1.62 0.00 0.00 43.42 42.06 1bw3 n LEU 93 CO 0.22 0.67 -0.35 -2.24 -1.22 0.00 0.00 177.39 174.47 1bw3 h ASP 94 N 0.34 0.00 0.00 -1.43 2.03 -1.91 -3.38 116.42 112.07 1bw3 h ASP 94 Ca 0.08 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1bw3 h ASP 94 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1bw3 h ASP 94 CO 0.16 0.78 0.00 1.87 -1.03 0.00 0.00 179.24 181.01 1bw3 n TRP 95 N -4.61 0.00 0.05 4.15 -0.00 -1.25 0.56 117.44 116.32 1bw3 n TRP 95 Ca -0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.23 1bw3 n TRP 95 Cb 0.28 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.44 1bw3 n TRP 95 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 177.69 178.07 1bw3 h ASP 96 N 0.00 0.44 0.39 5.87 2.03 -1.91 -0.06 116.42 123.18 1bw3 h ASP 96 Ca 0.00 -0.72 -0.02 0.00 -0.73 0.00 0.00 57.03 55.56 1bw3 h ASP 96 Cb 0.00 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.36 1bw3 h ASP 96 CO 0.00 1.62 -0.19 0.71 -1.03 0.00 0.00 179.24 180.35 1bw3 h THR 97 N 0.08 0.00 0.00 1.15 1.35 -0.86 -3.39 112.91 111.23 1bw3 h THR 97 Ca -0.32 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1bw3 h THR 97 Cb 2.05 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1bw3 h THR 97 CO 0.14 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.93 1bw3 n VAL 98 N -4.06 0.00 0.00 6.82 0.31 0.19 -4.36 118.33 117.23 1bw3 n VAL 98 Ca -0.07 0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 1bw3 n VAL 98 Cb 0.21 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1bw3 n VAL 98 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bw3 n PHE 99 N -2.01 0.00 0.05 3.52 7.35 -1.13 -0.49 117.46 124.75 1bw3 n PHE 99 Ca 0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.72 1bw3 n PHE 99 Cb 0.00 -0.03 0.15 0.00 0.35 0.00 0.00 39.48 39.95 1bw3 n PHE 99 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1bw3 n THR 100 N -1.07 1.30 -0.02 -2.13 -2.24 -0.04 -1.11 114.28 108.96 1bw3 n THR 100 Ca 0.00 0.58 -0.21 0.00 -2.27 0.00 0.00 64.05 62.15 1bw3 n THR 100 Cb 0.00 -1.58 -0.14 0.00 -2.10 0.00 0.00 70.33 66.51 1bw3 n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bw3 n LYS 101 N -1.64 0.74 0.06 -0.78 4.76 0.35 -4.34 118.16 117.31 1bw3 n LYS 101 Ca -0.00 0.24 0.02 0.00 -2.87 0.00 0.00 58.31 55.70 1bw3 n LYS 101 Cb 0.14 -1.67 -0.05 0.00 -1.84 0.00 0.00 35.03 31.61 1bw3 n LYS 101 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1bw3 h ILE 102 N 0.05 0.50 -0.01 -0.18 3.07 -0.34 -3.38 117.51 117.21 1bw3 h ILE 102 Ca -0.46 -1.90 -0.05 0.00 1.55 0.00 0.00 64.86 64.00 1bw3 h ILE 102 Cb 2.00 2.03 -0.02 0.00 -0.27 0.00 0.00 36.82 40.57 1bw3 h ILE 102 CO 0.05 0.28 -0.07 0.47 -1.05 0.00 0.00 178.15 177.83 1bw3 n ASP 103 N -2.93 5.35 -0.13 2.16 9.92 -0.27 -4.73 116.55 125.92 1bw3 n ASP 103 Ca -0.06 -2.44 -0.04 0.00 -0.53 0.00 0.00 54.79 51.72 1bw3 n ASP 103 Cb 0.78 -1.19 -0.03 0.00 -0.64 0.00 0.00 41.12 40.04 1bw3 n ASP 103 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1bw3 n THR 104 N 1.68 -0.22 -1.94 -3.53 -2.24 -1.26 -0.03 114.28 106.75 1bw3 n THR 104 Ca 0.10 0.86 -0.09 0.00 -2.27 0.00 0.00 64.05 62.65 1bw3 n THR 104 Cb 0.59 -1.08 0.10 0.00 -2.10 0.00 0.00 70.33 67.84 1bw3 n THR 104 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bw3 n ASN 105 N -4.15 3.19 -3.72 3.42 6.94 -1.26 -4.93 115.26 114.75 1bw3 n ASN 105 Ca 0.01 -3.59 -0.41 0.00 -0.02 0.00 0.00 54.58 50.56 1bw3 n ASN 105 Cb 0.08 -0.42 0.01 0.00 -2.36 0.00 0.00 39.78 37.09 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw3 n GLY 106 N -0.80 5.68 0.00 4.83 0.00 0.96 -4.81 105.19 111.05 1bw3 n GLY 106 Ca 0.29 -2.49 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1bw3 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw3 n ILE 107 N 0.78 0.58 -0.07 -0.61 2.08 -1.26 -3.84 119.36 117.01 1bw3 n ILE 107 Ca 0.44 0.36 0.06 0.00 0.56 0.00 0.00 62.75 64.17 1bw3 n ILE 107 Cb 0.28 -1.36 0.11 0.00 -0.75 0.00 0.00 39.64 37.92 1bw3 n ILE 107 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1bw3 n GLY 108 N -1.06 -0.13 0.25 7.39 0.00 -1.26 -0.91 105.19 109.46 1bw3 n GLY 108 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1bw3 n GLY 108 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bw3 n TYR 109 N -3.19 0.29 -0.13 1.61 9.36 -1.25 0.88 117.16 124.73 1bw3 n TYR 109 Ca 0.07 0.84 0.19 0.00 3.32 0.00 0.00 57.90 62.32 1bw3 n TYR 109 Cb 0.24 -0.93 0.60 0.00 -0.63 0.00 0.00 39.34 38.62 1bw3 n TYR 109 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1bw3 h GLN 110 N 0.00 0.22 0.10 2.98 4.15 -1.40 -2.00 115.11 119.16 1bw3 h GLN 110 Ca 0.35 -0.01 -0.35 0.00 0.77 0.00 0.00 58.65 59.40 1bw3 h GLN 110 Cb 0.58 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 1bw3 h GLN 110 CO -0.70 0.14 -1.96 1.04 -1.93 0.00 0.00 178.83 175.42 1bw3 n GLN 111 N -4.42 0.72 0.00 1.69 1.13 0.25 -5.00 117.38 111.75 1bw3 n GLN 111 Ca 0.14 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.49 1bw3 n GLN 111 Cb 0.64 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 29.30 1bw3 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bw3 n GLY 112 N 1.94 0.42 2.96 1.08 0.00 0.07 -5.07 105.19 106.59 1bw3 n GLY 112 Ca -0.34 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 1bw3 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw3 s HIS 113 N -2.00 0.11 0.26 1.61 0.00 -1.26 -4.09 115.29 109.92 1bw3 s HIS 113 Ca 0.00 -0.22 0.06 0.00 -3.00 0.00 0.00 55.06 51.90 1bw3 s HIS 113 Cb 0.00 -0.09 -0.05 0.00 -4.00 0.00 0.00 32.58 28.44 1bw3 s HIS 113 CO 0.00 -0.12 -0.05 -1.17 -1.00 0.00 0.00 174.74 172.40 1bw3 s LEU 114 N -0.79 2.40 -0.31 5.38 2.96 0.69 -4.82 118.68 124.20 1bw3 s LEU 114 Ca -0.09 -1.18 -0.05 0.00 -0.22 0.00 0.00 54.13 52.59 1bw3 s LEU 114 Cb -0.05 -0.52 0.03 0.00 0.50 0.00 0.00 46.19 46.15 1bw3 s LEU 114 CO -0.00 -0.38 0.05 0.21 -1.32 0.00 0.00 176.35 174.91 1bw3 s ASN 115 N -3.38 5.05 0.29 3.68 3.84 -1.26 -1.39 114.94 121.77 1bw3 s ASN 115 Ca 0.28 -1.06 0.03 0.00 0.21 0.00 0.00 52.86 52.32 1bw3 s ASN 115 Cb 0.04 -1.81 -0.04 0.00 -0.55 0.00 0.00 41.25 38.89 1bw3 s ASN 115 CO 0.10 -0.26 0.15 0.68 -2.79 0.00 0.00 177.10 174.98 1bw3 s VAL 116 N 1.37 0.32 0.13 -5.21 -7.23 -1.05 -4.37 120.40 104.37 1bw3 s VAL 116 Ca -0.02 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.25 1bw3 s VAL 116 Cb -0.19 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1bw3 s VAL 116 CO 0.01 0.00 -0.22 0.20 -0.31 0.00 0.00 175.10 174.77 1bw3 s ASN 117 N -3.35 2.90 -0.07 4.85 0.01 -0.36 -1.20 114.94 117.71 1bw3 s ASN 117 Ca 0.36 -0.76 -0.04 0.00 -0.71 0.00 0.00 52.86 51.71 1bw3 s ASN 117 Cb 0.05 -0.18 0.04 0.00 0.41 0.00 0.00 41.25 41.57 1bw3 s ASN 117 CO 0.17 0.08 0.16 -0.72 -1.51 0.00 0.00 177.10 175.28 1bw3 s TYR 118 N -1.38 -0.19 -0.01 2.20 -0.85 0.31 -1.74 117.35 115.68 1bw3 s TYR 118 Ca 0.12 0.52 0.05 0.00 -0.52 0.00 0.00 57.07 57.24 1bw3 s TYR 118 Cb -0.09 -0.04 -0.01 0.00 0.38 0.00 0.00 41.96 42.19 1bw3 s TYR 118 CO 0.06 -0.17 -0.15 -0.65 -1.52 0.00 0.00 175.55 173.12 1bw3 s GLN 119 N 1.05 1.23 0.10 -3.49 -1.52 -0.51 -1.42 119.66 115.10 1bw3 s GLN 119 Ca -0.08 -0.55 -0.31 0.00 -1.95 0.00 0.00 55.36 52.47 1bw3 s GLN 119 Cb -0.10 -1.19 -0.07 0.00 -0.22 0.00 0.00 33.01 31.43 1bw3 s GLN 119 CO -0.06 0.33 1.32 -0.06 -0.25 0.00 0.00 175.29 176.57 1bw3 s PHE 120 N -0.37 3.31 0.34 0.91 0.40 0.84 -0.39 117.98 123.02 1bw3 s PHE 120 Ca 0.06 1.08 0.06 0.00 -0.60 0.00 0.00 56.93 57.53 1bw3 s PHE 120 Cb -0.06 -3.59 -0.03 0.00 0.51 0.00 0.00 43.02 39.85 1bw3 s PHE 120 CO -0.01 -1.99 0.23 0.54 0.70 0.00 0.00 175.22 174.69 1bw3 s VAL 121 N 1.05 0.13 0.40 -0.44 0.11 0.49 -4.86 120.40 117.29 1bw3 s VAL 121 Ca 0.62 -2.00 -0.04 0.00 -2.93 0.00 0.00 61.98 57.63 1bw3 s VAL 121 Cb -0.34 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.00 1bw3 s VAL 121 CO 0.30 0.00 0.68 -0.62 -3.33 0.00 0.00 175.10 172.13 1bw3 s ASP 122 N -3.41 6.33 -0.11 3.54 -1.08 -1.26 -1.35 116.67 119.34 1bw3 s ASP 122 Ca 0.37 0.79 -0.07 0.00 -0.52 0.00 0.00 52.55 53.11 1bw3 s ASP 122 Cb 0.03 -2.18 -0.27 0.00 -1.46 0.00 0.00 42.92 39.04 1bw3 s ASP 122 CO 0.23 -0.42 0.42 0.00 0.52 0.00 0.00 175.17 175.93 1bw3 n ARG 124 N -3.49 -0.92 0.00 0.00 1.74 -1.26 -5.09 116.66 107.63 1bw3 n ARG 124 Ca -0.31 0.08 0.14 0.00 -0.77 0.00 0.00 57.85 57.00 1bw3 n ARG 124 Cb 1.05 -3.20 0.52 0.00 -1.02 0.00 0.00 32.46 29.82 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64